NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
563758 | 2m9f | 19292 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H1 LYS 1 -7.091 1.416 -1.869 2 H2 LYS 1 H2 LYS 1 -7.486 2.996 -2.141 3 H3 LYS 1 H3 LYS 1 -6.819 2.122 -3.335 4 HA LYS 1 HA LYS 1 -9.504 1.700 -2.206 5 HB2 LYS 1 HB2 LYS 1 -8.579 2.554 -4.978 6 HB3 LYS 1 HB3 LYS 1 -10.240 2.121 -4.555 7 HG2 LYS 1 HG2 LYS 1 -10.385 3.916 -2.927 8 HG3 LYS 1 HG3 LYS 1 -8.694 4.349 -3.142 9 HD2 LYS 1 HD2 LYS 1 -10.845 4.553 -5.288 10 HD3 LYS 1 HD3 LYS 1 -10.275 5.888 -4.295 11 HE2 LYS 1 HE2 LYS 1 -8.609 4.318 -6.313 12 HE3 LYS 1 HE3 LYS 1 -9.280 5.938 -6.534 13 HZ1 LYS 1 HZ1 LYS 1 -7.152 5.117 -4.638 14 HZ2 LYS 1 HZ2 LYS 1 -7.018 6.161 -5.885 15 HZ3 LYS 1 HZ3 LYS 1 -7.895 6.596 -4.557 16 H LEU 2 H LEU 2 -7.194 0.504 -4.669 17 HA LEU 2 HA LEU 2 -6.447 -1.469 -5.200 18 HB2 LEU 2 HB2 LEU 2 -7.999 -2.647 -2.889 19 HB3 LEU 2 HB3 LEU 2 -6.716 -3.411 -3.786 20 HG LEU 2 HG LEU 2 -6.468 -1.009 -1.940 21 HD11 LEU 2 HD11 LEU 2 -5.204 -3.776 -1.887 22 HD12 LEU 2 HD12 LEU 2 -5.034 -2.510 -0.665 23 HD13 LEU 2 HD13 LEU 2 -6.609 -3.283 -0.921 24 HD21 LEU 2 HD21 LEU 2 -4.051 -1.095 -2.393 25 HD22 LEU 2 HD22 LEU 2 -4.325 -2.256 -3.709 26 HD23 LEU 2 HD23 LEU 2 -4.944 -0.590 -3.812 27 HA PRO 3 HA PRO 3 -9.681 -3.358 -7.744 28 HB2 PRO 3 HB2 PRO 3 -7.309 -4.466 -9.192 29 HB3 PRO 3 HB3 PRO 3 -8.708 -3.575 -9.845 30 HG2 PRO 3 HG2 PRO 3 -6.243 -2.411 -9.628 31 HG3 PRO 3 HG3 PRO 3 -7.755 -1.492 -9.338 32 HD2 PRO 3 HD2 PRO 3 -5.878 -2.694 -7.297 33 HD3 PRO 3 HD3 PRO 3 -6.686 -1.101 -7.312 34 HA PRO 4 HA PRO 4 -9.684 -7.661 -6.391 35 HB2 PRO 4 HB2 PRO 4 -9.405 -8.509 -9.282 36 HB3 PRO 4 HB3 PRO 4 -10.497 -9.159 -8.018 37 HG2 PRO 4 HG2 PRO 4 -11.449 -7.409 -9.844 38 HG3 PRO 4 HG3 PRO 4 -11.883 -7.205 -8.114 39 HD2 PRO 4 HD2 PRO 4 -9.773 -5.742 -9.711 40 HD3 PRO 4 HD3 PRO 4 -10.961 -5.086 -8.541 41 H GLY 5 H GLY 5 -8.119 -8.842 -5.460 42 HA2 GLY 5 HA2 GLY 5 -6.322 -10.295 -5.329 43 HA3 GLY 5 HA3 GLY 5 -5.818 -9.840 -6.956 44 H TRP 6 H TRP 6 -6.083 -6.867 -5.510 45 HA TRP 6 HA TRP 6 -3.217 -6.697 -4.907 46 HB2 TRP 6 HB2 TRP 6 -5.466 -4.678 -5.059 47 HB3 TRP 6 HB3 TRP 6 -3.793 -4.293 -4.704 48 HD1 TRP 6 HD1 TRP 6 -5.946 -5.665 -7.579 49 HE1 TRP 6 HE1 TRP 6 -4.897 -4.977 -9.821 50 HE3 TRP 6 HE3 TRP 6 -1.586 -3.635 -5.838 51 HZ2 TRP 6 HZ2 TRP 6 -2.507 -3.669 -10.737 52 HZ3 TRP 6 HZ3 TRP 6 0.072 -2.735 -7.425 53 HH2 TRP 6 HH2 TRP 6 -0.375 -2.702 -9.863 54 H GLU 7 H GLU 7 -2.360 -6.669 -2.858 55 HA GLU 7 HA GLU 7 -4.085 -5.969 -0.546 56 HB2 GLU 7 HB2 GLU 7 -4.158 -8.457 -1.270 57 HB3 GLU 7 HB3 GLU 7 -2.518 -8.560 -0.686 58 HG2 GLU 7 HG2 GLU 7 -4.951 -7.701 0.956 59 HG3 GLU 7 HG3 GLU 7 -4.350 -9.356 0.867 60 H LYS 8 H LYS 8 -2.673 -5.786 1.547 61 HA LYS 8 HA LYS 8 -0.695 -3.779 0.929 62 HB2 LYS 8 HB2 LYS 8 -2.482 -3.809 2.741 63 HB3 LYS 8 HB3 LYS 8 -1.522 -5.020 3.585 64 HG2 LYS 8 HG2 LYS 8 0.349 -3.387 3.786 65 HG3 LYS 8 HG3 LYS 8 -0.600 -2.186 2.893 66 HD2 LYS 8 HD2 LYS 8 -2.372 -2.318 4.695 67 HD3 LYS 8 HD3 LYS 8 -1.353 -3.482 5.551 68 HE2 LYS 8 HE2 LYS 8 -0.829 -1.504 6.643 69 HE3 LYS 8 HE3 LYS 8 0.491 -1.667 5.474 70 HZ1 LYS 8 HZ1 LYS 8 -0.901 -0.141 4.011 71 HZ2 LYS 8 HZ2 LYS 8 -1.892 0.118 5.279 72 HZ3 LYS 8 HZ3 LYS 8 -0.329 0.565 5.393 73 H ARG 9 H ARG 9 1.468 -3.727 1.237 74 HA ARG 9 HA ARG 9 2.977 -5.943 2.501 75 HB2 ARG 9 HB2 ARG 9 3.602 -4.715 -0.199 76 HB3 ARG 9 HB3 ARG 9 4.587 -5.930 0.612 77 HG2 ARG 9 HG2 ARG 9 1.906 -6.318 -0.717 78 HG3 ARG 9 HG3 ARG 9 3.476 -6.876 -1.248 79 HD2 ARG 9 HD2 ARG 9 3.338 -8.784 -0.172 80 HD3 ARG 9 HD3 ARG 9 3.162 -7.955 1.364 81 HE ARG 9 HE ARG 9 0.796 -8.042 1.216 82 HH11 ARG 9 HH21 ARG 9 2.143 -9.774 -1.562 83 HH12 ARG 9 HH22 ARG 9 0.673 -10.733 -1.719 84 HH21 ARG 9 HH11 ARG 9 -0.982 -9.414 0.950 85 HH22 ARG 9 HH12 ARG 9 -0.993 -10.467 -0.468 86 H MET 10 H MET 10 5.464 -5.174 2.417 87 HA MET 10 HA MET 10 5.865 -2.324 2.379 88 HB2 MET 10 HB2 MET 10 6.553 -1.998 4.626 89 HB3 MET 10 HB3 MET 10 4.963 -2.739 4.680 90 HG2 MET 10 HG2 MET 10 6.031 -3.906 6.329 91 HG3 MET 10 HG3 MET 10 6.287 -4.992 4.965 92 HE1 MET 10 HE1 MET 10 8.211 -6.298 6.127 93 HE2 MET 10 HE2 MET 10 9.564 -5.532 6.991 94 HE3 MET 10 HE3 MET 10 7.903 -5.342 7.599 95 H PHE 11 H PHE 11 7.902 -1.762 1.997 96 HA PHE 11 HA PHE 11 9.939 -3.748 1.281 97 HB2 PHE 11 HB2 PHE 11 9.815 -0.704 1.167 98 HB3 PHE 11 HB3 PHE 11 11.152 -1.689 0.606 99 HD1 PHE 11 HD1 PHE 11 10.601 -3.569 -1.156 100 HD2 PHE 11 HD2 PHE 11 8.247 0.001 -0.502 101 HE1 PHE 11 HE1 PHE 11 9.694 -3.739 -3.455 102 HE2 PHE 11 HE2 PHE 11 7.414 -0.157 -2.834 103 HZ PHE 11 HZ PHE 11 8.106 -2.017 -4.294 104 H ALA 12 H ALA 12 11.632 -4.274 2.648 105 HA ALA 12 HA ALA 12 11.588 -3.631 5.362 106 HB1 ALA 12 HB1 ALA 12 13.888 -4.684 3.658 107 HB2 ALA 12 HB2 ALA 12 13.751 -4.812 5.425 108 HB3 ALA 12 HB3 ALA 12 12.588 -5.659 4.388 109 H ASN 13 H ASN 13 13.276 -1.857 2.774 110 HA ASN 13 HA ASN 13 14.801 -0.166 4.559 111 HB2 ASN 13 HB2 ASN 13 15.167 1.143 2.439 112 HB3 ASN 13 HB3 ASN 13 15.676 -0.536 2.384 113 HD21 ASN 13 HD21 ASN 13 14.108 1.818 0.608 114 H GLY 14 H GLY 14 11.513 -0.382 4.374 115 HA2 GLY 14 HA2 GLY 14 10.194 0.893 5.765 116 HA3 GLY 14 HA3 GLY 14 11.283 2.270 5.613 117 H THR 15 H THR 15 9.105 0.319 3.340 118 HA THR 15 HA THR 15 7.526 2.772 2.998 119 HB THR 15 HB THR 15 9.132 1.646 0.693 120 HG1 THR 15 HG1 THR 15 9.526 3.556 2.383 121 HG21 THR 15 HG21 THR 15 6.837 2.098 -0.162 122 HG22 THR 15 HG22 THR 15 6.884 3.709 0.597 123 HG23 THR 15 HG23 THR 15 8.000 3.317 -0.725 124 H VAL 16 H VAL 16 5.404 2.325 2.673 125 HA VAL 16 HA VAL 16 4.632 -0.538 2.512 126 HB VAL 16 HB VAL 16 3.358 2.004 3.526 127 HG11 VAL 16 HG11 VAL 16 1.791 -0.557 2.983 128 HG12 VAL 16 HG12 VAL 16 1.247 0.860 3.922 129 HG13 VAL 16 HG13 VAL 16 1.527 1.021 2.198 130 HG21 VAL 16 HG21 VAL 16 3.046 0.644 5.537 131 HG22 VAL 16 HG22 VAL 16 3.584 -0.813 4.673 132 HG23 VAL 16 HG23 VAL 16 4.731 0.505 5.009 133 H TYR 17 H TYR 17 3.294 -1.358 0.965 134 HA TYR 17 HA TYR 17 2.205 0.341 -1.153 135 HB2 TYR 17 HB2 TYR 17 3.302 -0.860 -2.975 136 HB3 TYR 17 HB3 TYR 17 4.487 -0.073 -1.964 137 HD1 TYR 17 HD1 TYR 17 5.886 -1.336 -0.406 138 HD2 TYR 17 HD2 TYR 17 3.290 -3.359 -3.203 139 HE1 TYR 17 HE1 TYR 17 7.247 -3.389 -0.181 140 HE2 TYR 17 HE2 TYR 17 4.643 -5.431 -2.943 141 HH TYR 17 HH TYR 17 7.517 -5.572 -0.845 142 H TYR 18 H TYR 18 1.135 -1.207 -2.835 143 HA TYR 18 HA TYR 18 -0.109 -3.527 -1.470 144 HB2 TYR 18 HB2 TYR 18 -1.408 -1.475 -3.297 145 HB3 TYR 18 HB3 TYR 18 -2.189 -2.886 -2.571 146 HD1 TYR 18 HD1 TYR 18 -0.624 0.421 -1.853 147 HD2 TYR 18 HD2 TYR 18 -2.832 -2.897 -0.212 148 HE1 TYR 18 HE1 TYR 18 -0.715 1.571 0.328 149 HE2 TYR 18 HE2 TYR 18 -3.091 -1.664 1.922 150 HH TYR 18 HH TYR 18 -2.805 0.352 3.003 151 H PHE 19 H PHE 19 -0.104 -5.360 -2.539 152 HA PHE 19 HA PHE 19 1.272 -5.502 -5.173 153 HB2 PHE 19 HB2 PHE 19 2.569 -6.103 -3.190 154 HB3 PHE 19 HB3 PHE 19 1.355 -7.291 -2.734 155 HD1 PHE 19 HD2 PHE 19 4.159 -6.539 -5.014 156 HD2 PHE 19 HD1 PHE 19 1.146 -9.417 -3.933 157 HE1 PHE 19 HE2 PHE 19 5.452 -8.307 -6.153 158 HE2 PHE 19 HE1 PHE 19 2.485 -11.218 -5.042 159 HZ PHE 19 HZ PHE 19 4.629 -10.663 -6.138 160 H ASN 20 H ASN 20 0.235 -6.556 -6.737 161 HA ASN 20 HA ASN 20 -2.283 -7.971 -6.256 162 HB2 ASN 20 HB2 ASN 20 -1.907 -6.436 -8.206 163 HB3 ASN 20 HB3 ASN 20 -0.706 -7.555 -8.808 164 HD21 ASN 20 HD22 ASN 20 -4.169 -7.041 -8.238 165 HD22 ASN 20 HD21 ASN 20 -4.709 -8.476 -9.062 166 H HIS 21 H HIS 21 -1.759 -9.837 -5.048 167 HA HIS 21 HA HIS 21 0.395 -11.581 -5.975 168 HB2 HIS 21 HB2 HIS 21 -0.386 -13.126 -4.152 169 HB3 HIS 21 HB3 HIS 21 0.224 -11.559 -3.699 170 HD2 HIS 21 HD2 HIS 21 -3.462 -12.449 -4.646 171 HE1 HIS 21 HE1 HIS 21 -3.412 -10.970 -0.651 172 HE2 HIS 21 HE2 HIS 21 -4.902 -11.778 -2.544 173 H ILE 22 H ILE 22 -1.864 -11.036 -7.886 174 HA ILE 22 HA ILE 22 -2.250 -13.886 -8.685 175 HB ILE 22 HB ILE 22 -3.898 -11.468 -9.525 176 HG12 ILE 22 HG12 ILE 22 -4.546 -13.714 -7.563 177 HG13 ILE 22 HG13 ILE 22 -4.329 -12.009 -7.169 178 HG21 ILE 22 HG21 ILE 22 -3.797 -13.195 -11.282 179 HG22 ILE 22 HG22 ILE 22 -4.273 -14.438 -10.106 180 HG23 ILE 22 HG23 ILE 22 -5.393 -13.141 -10.581 181 HD11 ILE 22 HD11 ILE 22 -6.656 -12.406 -7.138 182 HD12 ILE 22 HD12 ILE 22 -6.330 -11.472 -8.613 183 HD13 ILE 22 HD13 ILE 22 -6.639 -13.225 -8.702 184 H THR 23 H THR 23 -0.705 -10.846 -9.374 185 HA THR 23 HA THR 23 0.345 -11.888 -11.988 186 HB THR 23 HB THR 23 0.344 -9.543 -12.776 187 HG1 THR 23 HG1 THR 23 -1.257 -9.039 -10.502 188 HG21 THR 23 HG21 THR 23 -1.600 -10.960 -13.349 189 HG22 THR 23 HG22 THR 23 -2.439 -10.420 -11.882 190 HG23 THR 23 HG23 THR 23 -2.044 -9.252 -13.161 191 H ASN 24 H ASN 24 1.112 -10.325 -8.950 192 HA ASN 24 HA ASN 24 2.961 -9.802 -7.930 193 HB2 ASN 24 HB2 ASN 24 4.679 -10.233 -10.391 194 HB3 ASN 24 HB3 ASN 24 5.201 -10.081 -8.726 195 HD21 ASN 24 HD22 ASN 24 3.713 -12.206 -11.072 196 HD22 ASN 24 HD21 ASN 24 3.943 -13.682 -10.108 197 H ALA 25 H ALA 25 1.320 -7.981 -10.055 198 HA ALA 25 HA ALA 25 3.110 -5.750 -10.409 199 HB1 ALA 25 HB1 ALA 25 0.069 -5.798 -10.182 200 HB2 ALA 25 HB2 ALA 25 1.062 -4.503 -10.883 201 HB3 ALA 25 HB3 ALA 25 0.993 -6.089 -11.672 202 H SER 26 H SER 26 3.244 -3.743 -9.172 203 HA SER 26 HA SER 26 2.231 -3.805 -6.378 204 HB2 SER 26 HB2 SER 26 4.450 -3.143 -5.560 205 HB3 SER 26 HB3 SER 26 4.504 -4.744 -6.308 206 HG SER 26 HG SER 26 5.015 -2.388 -7.797 207 H GLN 27 H GLN 27 1.479 -1.847 -5.688 208 HA GLN 27 HA GLN 27 2.449 0.659 -6.927 209 HB2 GLN 27 HB2 GLN 27 0.582 -0.316 -8.326 210 HB3 GLN 27 HB3 GLN 27 -0.480 -0.202 -6.918 211 HG2 GLN 27 HG2 GLN 27 -0.281 2.250 -6.949 212 HG3 GLN 27 HG3 GLN 27 0.947 2.162 -8.222 213 HE21 GLN 27 HE22 GLN 27 -2.486 0.859 -7.697 214 HE22 GLN 27 HE21 GLN 27 -2.909 1.341 -9.335 215 H PHE 28 H PHE 28 1.901 2.552 -5.663 216 HA PHE 28 HA PHE 28 1.641 2.016 -2.820 217 HB2 PHE 28 HB2 PHE 28 2.012 4.625 -4.321 218 HB3 PHE 28 HB3 PHE 28 2.270 4.351 -2.598 219 HD1 PHE 28 HD2 PHE 28 3.925 2.363 -1.986 220 HD2 PHE 28 HD1 PHE 28 3.924 4.488 -5.736 221 HE1 PHE 28 HE2 PHE 28 6.247 1.672 -2.365 222 HE2 PHE 28 HE1 PHE 28 6.268 3.778 -6.129 223 HZ PHE 28 HZ PHE 28 7.447 2.366 -4.448 224 H GLU 29 H GLU 29 -0.776 2.153 -4.954 225 HA GLU 29 HA GLU 29 -2.543 4.224 -4.073 226 HB2 GLU 29 HB2 GLU 29 -2.468 2.905 -6.257 227 HB3 GLU 29 HB3 GLU 29 -3.290 1.592 -5.434 228 HG2 GLU 29 HG2 GLU 29 -4.317 4.453 -5.751 229 HG3 GLU 29 HG3 GLU 29 -4.735 3.113 -6.814 230 H ARG 30 H ARG 30 -3.280 4.351 -1.989 231 HA ARG 30 HA ARG 30 -3.481 1.910 -0.408 232 HB2 ARG 30 HB2 ARG 30 -2.058 3.558 0.428 233 HB3 ARG 30 HB3 ARG 30 -3.241 4.855 0.221 234 HG2 ARG 30 HG2 ARG 30 -4.528 4.183 2.030 235 HG3 ARG 30 HG3 ARG 30 -3.826 2.556 2.092 236 HD2 ARG 30 HD2 ARG 30 -1.660 3.628 2.817 237 HD3 ARG 30 HD3 ARG 30 -2.545 5.154 2.994 238 HE ARG 30 HE ARG 30 -2.772 2.704 4.663 239 HH11 ARG 30 HH11 ARG 30 -4.681 5.520 3.815 240 HH12 ARG 30 HH12 ARG 30 -5.669 5.323 5.248 241 HH21 ARG 30 HH21 ARG 30 -3.966 2.487 6.209 242 HH22 ARG 30 HH22 ARG 30 -5.440 3.384 6.442 243 HA PRO 31 HA PRO 31 -8.028 2.208 0.144 244 HB2 PRO 31 HB2 PRO 31 -8.437 -0.107 1.460 245 HB3 PRO 31 HB3 PRO 31 -7.843 -0.134 -0.217 246 HG2 PRO 31 HG2 PRO 31 -6.181 -0.329 2.325 247 HG3 PRO 31 HG3 PRO 31 -6.178 -1.434 0.932 248 HD2 PRO 31 HD2 PRO 31 -4.427 0.665 1.237 249 HD3 PRO 31 HD3 PRO 31 -4.940 0.087 -0.372 250 H SER 32 H SER 32 -9.089 1.220 2.745 251 HA SER 32 HA SER 32 -8.554 3.407 4.499 252 HB2 SER 32 HB2 SER 32 -9.821 1.930 6.115 253 HB3 SER 32 HB3 SER 32 -10.659 2.275 4.588 254 HG SER 32 HG SER 32 -10.667 0.018 5.234 255 H GLY 33 H GLY 33 -6.884 0.374 4.016 256 HA2 GLY 33 HA2 GLY 33 -5.424 0.514 6.608 257 HA3 GLY 33 HA3 GLY 33 -5.623 -0.906 5.585 258 H1 NAG 101 H1 NAG 34 11.768 0.398 -0.028 259 H2 NAG 101 H2 NAG 34 13.016 2.788 -1.492 260 H3 NAG 101 H3 NAG 34 10.172 1.681 -1.355 261 H4 NAG 101 H4 NAG 34 12.156 1.867 -3.679 262 H5 NAG 101 H5 NAG 34 11.054 -0.518 -2.131 263 H61 NAG 101 H61 NAG 34 12.636 -1.925 -3.351 264 H62 NAG 101 H62 NAG 34 11.500 -1.165 -4.471 265 H81 NAG 101 H2M NAG 34 11.409 5.365 1.540 266 H82 NAG 101 H3M NAG 34 13.055 5.543 2.175 267 H83 NAG 101 H1M NAG 34 11.983 4.304 2.853 268 HN2 NAG 101 H2N NAG 34 10.878 3.371 0.373 269 HO3 NAG 101 H3O NAG 34 9.942 3.290 -3.106 270 HO4 NAG 101 H4O NAG 34 10.449 0.842 -4.790 271 HO6 NAG 101 H6O NAG 34 14.113 -0.202 -3.808 Start of MODEL 2 1 H1 LYS 1 H1 LYS 1 -12.065 -7.012 2.931 2 H2 LYS 1 H2 LYS 1 -10.806 -7.246 1.894 3 H3 LYS 1 H3 LYS 1 -12.147 -6.453 1.384 4 HA LYS 1 HA LYS 1 -11.765 -4.639 2.861 5 HB2 LYS 1 HB2 LYS 1 -10.648 -5.864 4.662 6 HB3 LYS 1 HB3 LYS 1 -9.245 -6.163 3.643 7 HG2 LYS 1 HG2 LYS 1 -8.830 -4.348 5.235 8 HG3 LYS 1 HG3 LYS 1 -8.727 -3.755 3.579 9 HD2 LYS 1 HD2 LYS 1 -10.993 -2.760 3.774 10 HD3 LYS 1 HD3 LYS 1 -11.170 -3.462 5.388 11 HE2 LYS 1 HE2 LYS 1 -10.649 -1.121 5.578 12 HE3 LYS 1 HE3 LYS 1 -9.292 -2.060 6.214 13 HZ1 LYS 1 HZ1 LYS 1 -7.970 -1.455 4.362 14 HZ2 LYS 1 HZ2 LYS 1 -9.286 -1.113 3.407 15 HZ3 LYS 1 HZ3 LYS 1 -8.839 -0.098 4.592 16 H LEU 2 H LEU 2 -8.553 -5.799 1.630 17 HA LEU 2 HA LEU 2 -8.383 -3.611 -0.221 18 HB2 LEU 2 HB2 LEU 2 -6.864 -6.246 -0.131 19 HB3 LEU 2 HB3 LEU 2 -6.355 -4.778 -0.958 20 HG LEU 2 HG LEU 2 -6.609 -5.096 2.070 21 HD11 LEU 2 HD11 LEU 2 -4.140 -5.022 2.026 22 HD12 LEU 2 HD12 LEU 2 -4.806 -6.419 1.175 23 HD13 LEU 2 HD13 LEU 2 -4.184 -5.038 0.245 24 HD21 LEU 2 HD21 LEU 2 -5.436 -2.791 0.462 25 HD22 LEU 2 HD22 LEU 2 -6.958 -2.740 1.382 26 HD23 LEU 2 HD23 LEU 2 -5.425 -2.955 2.226 27 HA PRO 3 HA PRO 3 -10.641 -5.356 -3.610 28 HB2 PRO 3 HB2 PRO 3 -8.522 -4.581 -5.571 29 HB3 PRO 3 HB3 PRO 3 -10.223 -4.057 -5.478 30 HG2 PRO 3 HG2 PRO 3 -8.168 -2.410 -4.758 31 HG3 PRO 3 HG3 PRO 3 -9.738 -2.405 -3.891 32 HD2 PRO 3 HD2 PRO 3 -7.161 -3.767 -3.096 33 HD3 PRO 3 HD3 PRO 3 -8.302 -2.814 -2.102 34 HA PRO 4 HA PRO 4 -9.750 -9.419 -4.961 35 HB2 PRO 4 HB2 PRO 4 -9.679 -8.466 -7.836 36 HB3 PRO 4 HB3 PRO 4 -10.427 -9.950 -7.158 37 HG2 PRO 4 HG2 PRO 4 -11.959 -7.776 -7.599 38 HG3 PRO 4 HG3 PRO 4 -12.126 -8.666 -6.049 39 HD2 PRO 4 HD2 PRO 4 -10.630 -6.105 -6.604 40 HD3 PRO 4 HD3 PRO 4 -11.665 -6.530 -5.206 41 H GLY 5 H GLY 5 -7.865 -10.170 -4.274 42 HA2 GLY 5 HA2 GLY 5 -5.821 -11.204 -4.575 43 HA3 GLY 5 HA3 GLY 5 -5.642 -10.421 -6.145 44 H TRP 6 H TRP 6 -6.291 -7.893 -3.902 45 HA TRP 6 HA TRP 6 -3.444 -7.190 -3.917 46 HB2 TRP 6 HB2 TRP 6 -5.973 -5.729 -3.157 47 HB3 TRP 6 HB3 TRP 6 -4.367 -5.072 -2.929 48 HD1 TRP 6 HD1 TRP 6 -6.823 -5.978 -5.677 49 HE1 TRP 6 HE1 TRP 6 -6.187 -4.750 -7.849 50 HE3 TRP 6 HE3 TRP 6 -2.239 -4.219 -4.282 51 HZ2 TRP 6 HZ2 TRP 6 -3.904 -3.323 -8.891 52 HZ3 TRP 6 HZ3 TRP 6 -0.817 -2.989 -5.913 53 HH2 TRP 6 HH2 TRP 6 -1.635 -2.537 -8.204 54 H GLU 7 H GLU 7 -2.157 -6.930 -2.234 55 HA GLU 7 HA GLU 7 -3.032 -7.535 0.538 56 HB2 GLU 7 HB2 GLU 7 -1.483 -9.142 -1.329 57 HB3 GLU 7 HB3 GLU 7 -0.420 -8.609 -0.042 58 HG2 GLU 7 HG2 GLU 7 -3.160 -9.824 0.553 59 HG3 GLU 7 HG3 GLU 7 -1.728 -10.818 0.263 60 H LYS 8 H LYS 8 -1.510 -6.710 2.164 61 HA LYS 8 HA LYS 8 -0.262 -4.141 1.216 62 HB2 LYS 8 HB2 LYS 8 -0.649 -3.206 3.341 63 HB3 LYS 8 HB3 LYS 8 -2.118 -3.969 2.735 64 HG2 LYS 8 HG2 LYS 8 -1.729 -5.909 4.278 65 HG3 LYS 8 HG3 LYS 8 -0.313 -5.046 4.914 66 HD2 LYS 8 HD2 LYS 8 -2.139 -4.594 6.420 67 HD3 LYS 8 HD3 LYS 8 -1.807 -3.117 5.508 68 HE2 LYS 8 HE2 LYS 8 -3.711 -4.004 3.900 69 HE3 LYS 8 HE3 LYS 8 -4.145 -5.045 5.258 70 HZ1 LYS 8 HZ1 LYS 8 -4.395 -2.967 6.588 71 HZ2 LYS 8 HZ2 LYS 8 -3.990 -2.071 5.240 72 HZ3 LYS 8 HZ3 LYS 8 -5.336 -2.846 5.208 73 H ARG 9 H ARG 9 1.895 -3.579 1.599 74 HA ARG 9 HA ARG 9 3.638 -5.779 2.709 75 HB2 ARG 9 HB2 ARG 9 4.051 -4.453 0.025 76 HB3 ARG 9 HB3 ARG 9 5.080 -5.699 0.718 77 HG2 ARG 9 HG2 ARG 9 2.321 -6.066 -0.476 78 HG3 ARG 9 HG3 ARG 9 3.864 -6.441 -1.188 79 HD2 ARG 9 HD2 ARG 9 2.895 -8.474 -0.543 80 HD3 ARG 9 HD3 ARG 9 4.358 -8.190 0.408 81 HE ARG 9 HE ARG 9 2.508 -7.241 2.121 82 HH11 ARG 9 HH12 ARG 9 1.967 -10.323 0.378 83 HH12 ARG 9 HH11 ARG 9 0.767 -10.666 1.651 84 HH21 ARG 9 HH22 ARG 9 1.126 -7.950 3.449 85 HH22 ARG 9 HH21 ARG 9 0.378 -9.525 3.194 86 H MET 10 H MET 10 6.031 -4.976 2.480 87 HA MET 10 HA MET 10 6.393 -2.100 3.097 88 HB2 MET 10 HB2 MET 10 5.703 -3.331 5.227 89 HB3 MET 10 HB3 MET 10 7.100 -4.371 5.032 90 HG2 MET 10 HG2 MET 10 8.605 -2.422 5.098 91 HG3 MET 10 HG3 MET 10 7.229 -1.331 5.247 92 HE1 MET 10 HE1 MET 10 6.013 -0.772 7.450 93 HE2 MET 10 HE2 MET 10 5.297 -2.400 7.355 94 HE3 MET 10 HE3 MET 10 6.014 -1.829 8.877 95 H PHE 11 H PHE 11 8.288 -1.678 1.940 96 HA PHE 11 HA PHE 11 10.123 -3.640 0.915 97 HB2 PHE 11 HB2 PHE 11 10.107 -0.634 1.143 98 HB3 PHE 11 HB3 PHE 11 11.466 -1.506 0.459 99 HD1 PHE 11 HD1 PHE 11 10.886 -3.307 -1.393 100 HD2 PHE 11 HD2 PHE 11 8.382 0.082 -0.400 101 HE1 PHE 11 HE1 PHE 11 9.929 -3.333 -3.679 102 HE2 PHE 11 HE2 PHE 11 7.475 0.049 -2.707 103 HZ PHE 11 HZ PHE 11 8.255 -1.616 -4.341 104 H ALA 12 H ALA 12 12.470 -3.718 1.443 105 HA ALA 12 HA ALA 12 13.007 -4.160 4.162 106 HB1 ALA 12 HB1 ALA 12 14.159 -5.250 2.273 107 HB2 ALA 12 HB2 ALA 12 14.929 -3.704 1.839 108 HB3 ALA 12 HB3 ALA 12 15.317 -4.496 3.380 109 H ASN 13 H ASN 13 12.895 -1.105 2.646 110 HA ASN 13 HA ASN 13 14.627 0.211 4.664 111 HB2 ASN 13 HB2 ASN 13 14.278 2.219 3.255 112 HB3 ASN 13 HB3 ASN 13 14.958 0.873 2.342 113 HD21 ASN 13 HD21 ASN 13 14.180 1.918 0.338 114 H GLY 14 H GLY 14 11.493 -0.943 4.647 115 HA2 GLY 14 HA2 GLY 14 9.926 -0.573 6.317 116 HA3 GLY 14 HA3 GLY 14 10.582 1.030 6.643 117 H THR 15 H THR 15 9.912 0.375 3.209 118 HA THR 15 HA THR 15 7.888 2.550 3.385 119 HB THR 15 HB THR 15 9.338 1.393 0.994 120 HG1 THR 15 HG1 THR 15 10.768 2.295 2.238 121 HG21 THR 15 HG21 THR 15 7.864 4.038 1.210 122 HG22 THR 15 HG22 THR 15 8.659 3.338 -0.226 123 HG23 THR 15 HG23 THR 15 7.195 2.592 0.422 124 H VAL 16 H VAL 16 5.696 1.956 3.354 125 HA VAL 16 HA VAL 16 5.180 -0.778 2.333 126 HB VAL 16 HB VAL 16 2.941 -0.606 3.296 127 HG11 VAL 16 HG11 VAL 16 4.604 -1.569 4.703 128 HG12 VAL 16 HG12 VAL 16 5.158 0.029 5.275 129 HG13 VAL 16 HG13 VAL 16 3.535 -0.591 5.685 130 HG21 VAL 16 HG21 VAL 16 2.285 1.127 4.701 131 HG22 VAL 16 HG22 VAL 16 3.793 2.040 4.335 132 HG23 VAL 16 HG23 VAL 16 2.571 1.696 3.052 133 H TYR 17 H TYR 17 3.439 -1.310 1.142 134 HA TYR 17 HA TYR 17 2.290 0.537 -0.790 135 HB2 TYR 17 HB2 TYR 17 3.320 -0.595 -2.726 136 HB3 TYR 17 HB3 TYR 17 4.543 0.154 -1.729 137 HD1 TYR 17 HD1 TYR 17 6.000 -1.152 -0.255 138 HD2 TYR 17 HD2 TYR 17 3.369 -3.070 -3.085 139 HE1 TYR 17 HE1 TYR 17 7.414 -3.163 -0.165 140 HE2 TYR 17 HE2 TYR 17 4.770 -5.118 -3.016 141 HH TYR 17 HH TYR 17 6.799 -6.003 -2.275 142 H TYR 18 H TYR 18 1.044 -0.949 -2.405 143 HA TYR 18 HA TYR 18 0.111 -3.429 -1.063 144 HB2 TYR 18 HB2 TYR 18 -1.443 -1.518 -2.836 145 HB3 TYR 18 HB3 TYR 18 -2.051 -3.038 -2.162 146 HD1 TYR 18 HD1 TYR 18 -0.839 0.372 -1.325 147 HD2 TYR 18 HD2 TYR 18 -2.566 -3.275 0.228 148 HE1 TYR 18 HE1 TYR 18 -1.134 1.446 0.888 149 HE2 TYR 18 HE2 TYR 18 -3.057 -2.096 2.360 150 HH TYR 18 HH TYR 18 -3.102 -0.107 3.482 151 H PHE 19 H PHE 19 -0.029 -5.213 -2.197 152 HA PHE 19 HA PHE 19 1.217 -5.307 -4.916 153 HB2 PHE 19 HB2 PHE 19 2.674 -5.933 -3.018 154 HB3 PHE 19 HB3 PHE 19 1.526 -7.183 -2.537 155 HD1 PHE 19 HD1 PHE 19 3.947 -6.086 -5.100 156 HD2 PHE 19 HD2 PHE 19 1.404 -9.321 -3.783 157 HE1 PHE 19 HE1 PHE 19 5.074 -7.595 -6.667 158 HE2 PHE 19 HE2 PHE 19 2.558 -10.849 -5.363 159 HZ PHE 19 HZ PHE 19 4.340 -10.003 -6.843 160 H ASN 20 H ASN 20 0.032 -6.420 -6.429 161 HA ASN 20 HA ASN 20 -2.314 -7.956 -5.495 162 HB2 ASN 20 HB2 ASN 20 -2.516 -6.286 -7.367 163 HB3 ASN 20 HB3 ASN 20 -1.521 -7.367 -8.340 164 HD21 ASN 20 HD22 ASN 20 -4.704 -6.737 -7.132 165 HD22 ASN 20 HD21 ASN 20 -5.462 -8.234 -7.581 166 H HIS 21 H HIS 21 -1.838 -9.989 -4.832 167 HA HIS 21 HA HIS 21 0.489 -11.390 -5.931 168 HB2 HIS 21 HB2 HIS 21 -0.008 -13.083 -4.264 169 HB3 HIS 21 HB3 HIS 21 0.030 -11.481 -3.562 170 HD2 HIS 21 HD2 HIS 21 -2.746 -13.934 -4.859 171 HE1 HIS 21 HE1 HIS 21 -4.268 -11.766 -1.508 172 HE2 HIS 21 HE2 HIS 21 -4.787 -13.600 -3.218 173 H ILE 22 H ILE 22 -2.396 -10.941 -7.413 174 HA ILE 22 HA ILE 22 -2.327 -13.650 -8.668 175 HB ILE 22 HB ILE 22 -4.443 -11.480 -8.922 176 HG12 ILE 22 HG12 ILE 22 -4.470 -14.093 -7.340 177 HG13 ILE 22 HG13 ILE 22 -4.412 -12.474 -6.648 178 HG21 ILE 22 HG21 ILE 22 -5.747 -13.208 -10.104 179 HG22 ILE 22 HG22 ILE 22 -4.240 -12.907 -10.943 180 HG23 ILE 22 HG23 ILE 22 -4.401 -14.357 -9.932 181 HD11 ILE 22 HD11 ILE 22 -6.650 -13.224 -6.436 182 HD12 ILE 22 HD12 ILE 22 -6.648 -11.985 -7.708 183 HD13 ILE 22 HD13 ILE 22 -6.748 -13.714 -8.132 184 H THR 23 H THR 23 -2.031 -10.120 -9.358 185 HA THR 23 HA THR 23 -1.116 -10.788 -12.115 186 HB THR 23 HB THR 23 -1.534 -8.518 -12.685 187 HG1 THR 23 HG1 THR 23 -2.308 -7.087 -11.072 188 HG21 THR 23 HG21 THR 23 -3.847 -9.341 -10.883 189 HG22 THR 23 HG22 THR 23 -3.898 -8.261 -12.292 190 HG23 THR 23 HG23 THR 23 -3.556 -9.985 -12.514 191 H ASN 24 H ASN 24 0.405 -9.992 -9.123 192 HA ASN 24 HA ASN 24 2.390 -9.362 -8.516 193 HB2 ASN 24 HB2 ASN 24 3.034 -10.933 -10.527 194 HB3 ASN 24 HB3 ASN 24 3.534 -9.434 -11.308 195 HD21 ASN 24 HD22 ASN 24 4.902 -8.002 -9.544 196 HD22 ASN 24 HD21 ASN 24 6.244 -8.974 -8.890 197 H ALA 25 H ALA 25 0.310 -7.369 -9.989 198 HA ALA 25 HA ALA 25 1.940 -5.049 -10.496 199 HB1 ALA 25 HB1 ALA 25 -0.958 -5.270 -9.568 200 HB2 ALA 25 HB2 ALA 25 -0.189 -3.832 -10.268 201 HB3 ALA 25 HB3 ALA 25 -0.401 -5.285 -11.261 202 H SER 26 H SER 26 2.227 -3.147 -9.125 203 HA SER 26 HA SER 26 1.702 -3.444 -6.244 204 HB2 SER 26 HB2 SER 26 3.967 -2.607 -5.697 205 HB3 SER 26 HB3 SER 26 4.007 -4.217 -6.421 206 HG SER 26 HG SER 26 4.244 -1.854 -7.981 207 H GLN 27 H GLN 27 1.178 -1.500 -5.252 208 HA GLN 27 HA GLN 27 1.723 1.048 -6.664 209 HB2 GLN 27 HB2 GLN 27 -0.871 -0.275 -6.629 210 HB3 GLN 27 HB3 GLN 27 -0.982 1.183 -5.663 211 HG2 GLN 27 HG2 GLN 27 0.150 1.138 -8.500 212 HG3 GLN 27 HG3 GLN 27 -1.547 1.402 -8.117 213 HE21 GLN 27 HE22 GLN 27 -1.404 3.573 -9.170 214 HE22 GLN 27 HE21 GLN 27 -0.652 4.840 -8.213 215 H PHE 28 H PHE 28 1.732 2.855 -5.352 216 HA PHE 28 HA PHE 28 1.971 2.424 -2.418 217 HB2 PHE 28 HB2 PHE 28 2.529 4.834 -4.191 218 HB3 PHE 28 HB3 PHE 28 2.743 4.784 -2.445 219 HD1 PHE 28 HD2 PHE 28 4.203 2.703 -1.556 220 HD2 PHE 28 HD1 PHE 28 4.495 4.469 -5.483 221 HE1 PHE 28 HE2 PHE 28 6.514 1.895 -1.743 222 HE2 PHE 28 HE1 PHE 28 6.826 3.636 -5.672 223 HZ PHE 28 HZ PHE 28 7.854 2.367 -3.797 224 H GLU 29 H GLU 29 -0.253 3.697 -4.871 225 HA GLU 29 HA GLU 29 -1.930 5.239 -3.129 226 HB2 GLU 29 HB2 GLU 29 -2.340 3.760 -5.750 227 HB3 GLU 29 HB3 GLU 29 -3.711 4.466 -4.908 228 HG2 GLU 29 HG2 GLU 29 -1.247 6.074 -5.708 229 HG3 GLU 29 HG3 GLU 29 -2.720 5.948 -6.679 230 H ARG 30 H ARG 30 -2.659 4.463 -1.270 231 HA ARG 30 HA ARG 30 -3.102 1.737 -0.772 232 HB2 ARG 30 HB2 ARG 30 -3.531 2.249 1.428 233 HB3 ARG 30 HB3 ARG 30 -2.271 3.332 0.870 234 HG2 ARG 30 HG2 ARG 30 -5.128 4.045 1.587 235 HG3 ARG 30 HG3 ARG 30 -3.633 4.338 2.469 236 HD2 ARG 30 HD2 ARG 30 -4.249 6.425 1.519 237 HD3 ARG 30 HD3 ARG 30 -2.860 5.828 0.594 238 HE ARG 30 HE ARG 30 -5.452 5.052 -0.507 239 HH11 ARG 30 HH11 ARG 30 -2.894 7.464 -0.782 240 HH12 ARG 30 HH12 ARG 30 -3.110 7.577 -2.524 241 HH21 ARG 30 HH21 ARG 30 -5.937 5.559 -2.581 242 HH22 ARG 30 HH22 ARG 30 -4.911 6.682 -3.471 243 HA PRO 31 HA PRO 31 -7.345 1.706 -2.178 244 HB2 PRO 31 HB2 PRO 31 -7.662 -0.825 -2.799 245 HB3 PRO 31 HB3 PRO 31 -6.544 0.265 -3.667 246 HG2 PRO 31 HG2 PRO 31 -5.849 -1.824 -1.566 247 HG3 PRO 31 HG3 PRO 31 -4.995 -1.500 -3.100 248 HD2 PRO 31 HD2 PRO 31 -4.346 -0.414 -0.574 249 HD3 PRO 31 HD3 PRO 31 -3.791 0.214 -2.147 250 H SER 32 H SER 32 -7.902 2.358 -0.317 251 HA SER 32 HA SER 32 -9.332 2.577 1.511 252 HB2 SER 32 HB2 SER 32 -10.756 0.850 2.299 253 HB3 SER 32 HB3 SER 32 -10.636 0.647 0.541 254 HG SER 32 HG SER 32 -8.955 -0.889 0.948 255 H GLY 33 H GLY 33 -6.393 0.875 1.705 256 HA2 GLY 33 HA2 GLY 33 -4.945 1.489 3.567 257 HA3 GLY 33 HA3 GLY 33 -6.297 1.320 4.670 258 H1 NAG 101 H1 NAG 34 11.396 1.020 -0.125 259 H2 NAG 101 H2 NAG 34 12.805 3.201 -1.751 260 H3 NAG 101 H3 NAG 34 10.091 1.781 -1.868 261 H4 NAG 101 H4 NAG 34 12.449 2.003 -3.781 262 H5 NAG 101 H5 NAG 34 11.324 -0.383 -2.276 263 H61 NAG 101 H61 NAG 34 13.294 -1.628 -2.990 264 H62 NAG 101 H62 NAG 34 12.437 -1.012 -4.404 265 H81 NAG 101 H2M NAG 34 9.682 5.871 0.550 266 H82 NAG 101 H3M NAG 34 10.873 7.079 0.021 267 H83 NAG 101 H1M NAG 34 11.310 5.893 1.270 268 HN2 NAG 101 H2N NAG 34 11.015 3.514 0.525 269 HO3 NAG 101 H3O NAG 34 10.756 4.296 -2.745 270 HO4 NAG 101 H4O NAG 34 10.205 1.893 -4.492 271 HO6 NAG 101 H6O NAG 34 14.701 -0.585 -4.548 Start of MODEL 3 1 H1 LYS 1 H1 LYS 1 -6.977 3.362 -2.448 2 H2 LYS 1 H2 LYS 1 -6.942 2.682 -0.968 3 H3 LYS 1 H3 LYS 1 -8.005 3.873 -1.259 4 HA LYS 1 HA LYS 1 -9.272 1.866 -1.347 5 HB2 LYS 1 HB2 LYS 1 -8.455 2.821 -4.132 6 HB3 LYS 1 HB3 LYS 1 -9.595 1.506 -3.909 7 HG2 LYS 1 HG2 LYS 1 -10.873 3.462 -4.270 8 HG3 LYS 1 HG3 LYS 1 -11.097 2.943 -2.607 9 HD2 LYS 1 HD2 LYS 1 -11.003 5.337 -2.684 10 HD3 LYS 1 HD3 LYS 1 -9.597 4.764 -1.834 11 HE2 LYS 1 HE2 LYS 1 -8.893 4.994 -4.637 12 HE3 LYS 1 HE3 LYS 1 -9.837 6.423 -4.203 13 HZ1 LYS 1 HZ1 LYS 1 -8.236 6.516 -2.191 14 HZ2 LYS 1 HZ2 LYS 1 -7.244 5.546 -3.135 15 HZ3 LYS 1 HZ3 LYS 1 -7.687 7.033 -3.659 16 H LEU 2 H LEU 2 -9.421 -0.487 -2.433 17 HA LEU 2 HA LEU 2 -6.783 -1.474 -3.211 18 HB2 LEU 2 HB2 LEU 2 -6.913 -1.667 -0.723 19 HB3 LEU 2 HB3 LEU 2 -8.317 -2.722 -0.900 20 HG LEU 2 HG LEU 2 -6.873 -4.370 -2.122 21 HD11 LEU 2 HD11 LEU 2 -4.667 -2.365 -1.513 22 HD12 LEU 2 HD12 LEU 2 -4.425 -4.047 -2.050 23 HD13 LEU 2 HD13 LEU 2 -5.198 -2.895 -3.121 24 HD21 LEU 2 HD21 LEU 2 -5.628 -3.619 0.504 25 HD22 LEU 2 HD22 LEU 2 -7.175 -4.488 0.338 26 HD23 LEU 2 HD23 LEU 2 -5.683 -5.209 -0.267 27 HA PRO 3 HA PRO 3 -9.921 -3.622 -5.691 28 HB2 PRO 3 HB2 PRO 3 -7.758 -4.478 -7.507 29 HB3 PRO 3 HB3 PRO 3 -9.156 -3.430 -7.840 30 HG2 PRO 3 HG2 PRO 3 -6.570 -2.462 -7.698 31 HG3 PRO 3 HG3 PRO 3 -8.008 -1.501 -7.236 32 HD2 PRO 3 HD2 PRO 3 -6.122 -3.025 -5.429 33 HD3 PRO 3 HD3 PRO 3 -6.793 -1.374 -5.260 34 HA PRO 4 HA PRO 4 -9.605 -7.986 -4.706 35 HB2 PRO 4 HB2 PRO 4 -10.020 -8.535 -7.651 36 HB3 PRO 4 HB3 PRO 4 -10.823 -9.292 -6.240 37 HG2 PRO 4 HG2 PRO 4 -12.095 -7.369 -7.658 38 HG3 PRO 4 HG3 PRO 4 -12.156 -7.341 -5.864 39 HD2 PRO 4 HD2 PRO 4 -10.392 -5.720 -7.712 40 HD3 PRO 4 HD3 PRO 4 -11.303 -5.196 -6.262 41 H GLY 5 H GLY 5 -7.924 -9.361 -4.392 42 HA2 GLY 5 HA2 GLY 5 -6.117 -10.715 -4.865 43 HA3 GLY 5 HA3 GLY 5 -6.054 -10.073 -6.505 44 H TRP 6 H TRP 6 -5.953 -7.313 -4.563 45 HA TRP 6 HA TRP 6 -3.013 -7.188 -4.588 46 HB2 TRP 6 HB2 TRP 6 -5.195 -5.162 -4.061 47 HB3 TRP 6 HB3 TRP 6 -3.469 -4.833 -4.016 48 HD1 TRP 6 HD1 TRP 6 -6.153 -5.920 -6.530 49 HE1 TRP 6 HE1 TRP 6 -5.601 -4.932 -8.843 50 HE3 TRP 6 HE3 TRP 6 -1.582 -3.888 -5.466 51 HZ2 TRP 6 HZ2 TRP 6 -3.451 -3.470 -10.066 52 HZ3 TRP 6 HZ3 TRP 6 -0.276 -2.778 -7.242 53 HH2 TRP 6 HH2 TRP 6 -1.201 -2.530 -9.534 54 H GLU 7 H GLU 7 -1.810 -7.461 -2.759 55 HA GLU 7 HA GLU 7 -3.198 -7.452 -0.116 56 HB2 GLU 7 HB2 GLU 7 -2.371 -9.663 -1.618 57 HB3 GLU 7 HB3 GLU 7 -1.037 -9.434 -0.506 58 HG2 GLU 7 HG2 GLU 7 -3.981 -9.718 0.250 59 HG3 GLU 7 HG3 GLU 7 -2.774 -11.004 0.316 60 H LYS 8 H LYS 8 -1.951 -7.052 1.732 61 HA LYS 8 HA LYS 8 -0.251 -4.777 1.424 62 HB2 LYS 8 HB2 LYS 8 -0.350 -4.661 3.840 63 HB3 LYS 8 HB3 LYS 8 -1.918 -5.148 3.204 64 HG2 LYS 8 HG2 LYS 8 -0.881 -7.604 3.611 65 HG3 LYS 8 HG3 LYS 8 0.086 -6.727 4.787 66 HD2 LYS 8 HD2 LYS 8 -1.873 -6.062 6.023 67 HD3 LYS 8 HD3 LYS 8 -2.962 -6.529 4.709 68 HE2 LYS 8 HE2 LYS 8 -1.262 -8.491 6.313 69 HE3 LYS 8 HE3 LYS 8 -2.969 -8.128 6.603 70 HZ1 LYS 8 HZ1 LYS 8 -3.178 -8.762 4.081 71 HZ2 LYS 8 HZ2 LYS 8 -1.835 -9.522 4.227 72 HZ3 LYS 8 HZ3 LYS 8 -3.074 -9.990 5.210 73 H ARG 9 H ARG 9 1.867 -4.501 1.319 74 HA ARG 9 HA ARG 9 3.815 -6.581 2.277 75 HB2 ARG 9 HB2 ARG 9 4.107 -4.979 -0.260 76 HB3 ARG 9 HB3 ARG 9 5.211 -6.221 0.307 77 HG2 ARG 9 HG2 ARG 9 2.486 -6.628 -0.932 78 HG3 ARG 9 HG3 ARG 9 4.059 -6.841 -1.666 79 HD2 ARG 9 HD2 ARG 9 3.354 -8.994 -1.317 80 HD3 ARG 9 HD3 ARG 9 4.571 -8.702 -0.070 81 HE ARG 9 HE ARG 9 2.536 -8.190 1.437 82 HH11 ARG 9 HH11 ARG 9 2.065 -10.590 -1.110 83 HH12 ARG 9 HH12 ARG 9 0.691 -11.254 -0.245 84 HH21 ARG 9 HH22 ARG 9 0.968 -8.958 2.328 85 HH22 ARG 9 HH21 ARG 9 -0.055 -10.241 1.790 86 H MET 10 H MET 10 6.140 -5.552 2.126 87 HA MET 10 HA MET 10 6.247 -2.676 2.602 88 HB2 MET 10 HB2 MET 10 5.608 -3.692 4.817 89 HB3 MET 10 HB3 MET 10 7.090 -4.655 4.762 90 HG2 MET 10 HG2 MET 10 8.385 -2.483 4.598 91 HG3 MET 10 HG3 MET 10 6.876 -1.617 4.862 92 HE1 MET 10 HE1 MET 10 5.394 -3.359 7.113 93 HE2 MET 10 HE2 MET 10 6.049 -2.651 8.603 94 HE3 MET 10 HE3 MET 10 5.585 -1.592 7.258 95 H PHE 11 H PHE 11 8.050 -1.919 1.756 96 HA PHE 11 HA PHE 11 10.282 -3.525 0.801 97 HB2 PHE 11 HB2 PHE 11 9.797 -0.531 1.061 98 HB3 PHE 11 HB3 PHE 11 11.214 -1.263 0.333 99 HD1 PHE 11 HD1 PHE 11 10.886 -2.918 -1.640 100 HD2 PHE 11 HD2 PHE 11 7.975 0.030 -0.401 101 HE1 PHE 11 HE1 PHE 11 9.850 -2.999 -3.885 102 HE2 PHE 11 HE2 PHE 11 6.993 -0.031 -2.691 103 HZ PHE 11 HZ PHE 11 7.913 -1.537 -4.413 104 H ALA 12 H ALA 12 12.148 -3.989 1.958 105 HA ALA 12 HA ALA 12 12.225 -3.748 4.735 106 HB1 ALA 12 HB1 ALA 12 14.507 -4.232 2.771 107 HB2 ALA 12 HB2 ALA 12 14.514 -4.630 4.502 108 HB3 ALA 12 HB3 ALA 12 13.393 -5.466 3.411 109 H ASN 13 H ASN 13 13.514 -1.448 2.349 110 HA ASN 13 HA ASN 13 14.927 0.191 4.272 111 HB2 ASN 13 HB2 ASN 13 15.031 1.768 2.312 112 HB3 ASN 13 HB3 ASN 13 15.720 0.179 2.030 113 HD21 ASN 13 HD21 ASN 13 13.831 2.522 0.597 114 H GLY 14 H GLY 14 11.703 -0.420 4.234 115 HA2 GLY 14 HA2 GLY 14 10.300 0.518 5.790 116 HA3 GLY 14 HA3 GLY 14 11.219 2.022 5.778 117 H THR 15 H THR 15 9.129 0.113 3.395 118 HA THR 15 HA THR 15 7.305 2.415 3.399 119 HB THR 15 HB THR 15 8.794 1.673 0.867 120 HG1 THR 15 HG1 THR 15 9.199 3.433 2.759 121 HG21 THR 15 HG21 THR 15 7.466 3.426 -0.228 122 HG22 THR 15 HG22 THR 15 6.395 2.118 0.316 123 HG23 THR 15 HG23 THR 15 6.491 3.640 1.237 124 H VAL 16 H VAL 16 5.220 1.756 3.224 125 HA VAL 16 HA VAL 16 4.753 -1.129 2.718 126 HB VAL 16 HB VAL 16 3.247 1.066 4.153 127 HG11 VAL 16 HG11 VAL 16 2.056 -1.633 3.373 128 HG12 VAL 16 HG12 VAL 16 1.384 -0.519 4.579 129 HG13 VAL 16 HG13 VAL 16 1.455 -0.028 2.889 130 HG21 VAL 16 HG21 VAL 16 4.950 -0.308 5.352 131 HG22 VAL 16 HG22 VAL 16 3.318 -0.579 5.986 132 HG23 VAL 16 HG23 VAL 16 4.048 -1.781 4.900 133 H TYR 17 H TYR 17 3.355 -1.897 1.218 134 HA TYR 17 HA TYR 17 1.876 -0.092 -0.554 135 HB2 TYR 17 HB2 TYR 17 2.935 -0.931 -2.600 136 HB3 TYR 17 HB3 TYR 17 4.113 -0.134 -1.589 137 HD1 TYR 17 HD2 TYR 17 5.764 -1.426 -0.283 138 HD2 TYR 17 HD1 TYR 17 3.206 -3.312 -3.198 139 HE1 TYR 17 HE2 TYR 17 7.350 -3.314 -0.433 140 HE2 TYR 17 HE1 TYR 17 4.813 -5.235 -3.352 141 HH TYR 17 HH TYR 17 7.879 -5.263 -1.561 142 H TYR 18 H TYR 18 0.693 -1.520 -2.227 143 HA TYR 18 HA TYR 18 0.068 -4.214 -1.145 144 HB2 TYR 18 HB2 TYR 18 -1.720 -2.197 -2.521 145 HB3 TYR 18 HB3 TYR 18 -2.143 -3.891 -2.251 146 HD1 TYR 18 HD1 TYR 18 -0.861 -0.905 -0.367 147 HD2 TYR 18 HD2 TYR 18 -3.315 -4.448 -0.200 148 HE1 TYR 18 HE1 TYR 18 -1.126 -0.576 1.984 149 HE2 TYR 18 HE2 TYR 18 -3.876 -3.969 2.084 150 HH TYR 18 HH TYR 18 -2.167 -1.388 3.965 151 H PHE 19 H PHE 19 0.016 -5.907 -2.431 152 HA PHE 19 HA PHE 19 1.236 -5.659 -5.139 153 HB2 PHE 19 HB2 PHE 19 2.710 -6.328 -3.350 154 HB3 PHE 19 HB3 PHE 19 1.607 -7.613 -2.850 155 HD1 PHE 19 HD2 PHE 19 1.403 -9.698 -4.177 156 HD2 PHE 19 HD1 PHE 19 4.184 -6.575 -5.246 157 HE1 PHE 19 HE2 PHE 19 2.718 -11.319 -5.531 158 HE2 PHE 19 HE1 PHE 19 5.490 -8.170 -6.563 159 HZ PHE 19 HZ PHE 19 4.761 -10.570 -6.723 160 H ASN 20 H ASN 20 -0.065 -6.321 -6.703 161 HA ASN 20 HA ASN 20 -2.350 -8.036 -6.360 162 HB2 ASN 20 HB2 ASN 20 -2.099 -6.254 -8.111 163 HB3 ASN 20 HB3 ASN 20 -0.862 -7.228 -8.869 164 HD21 ASN 20 HD22 ASN 20 -4.353 -7.056 -8.074 165 HD22 ASN 20 HD21 ASN 20 -4.786 -8.385 -9.131 166 H HIS 21 H HIS 21 -1.795 -10.059 -5.494 167 HA HIS 21 HA HIS 21 0.523 -11.508 -6.473 168 HB2 HIS 21 HB2 HIS 21 -0.223 -13.291 -4.988 169 HB3 HIS 21 HB3 HIS 21 -0.182 -11.731 -4.192 170 HD2 HIS 21 HD2 HIS 21 -2.970 -13.844 -5.984 171 HE1 HIS 21 HE1 HIS 21 -4.625 -12.059 -2.479 172 HE2 HIS 21 HE2 HIS 21 -5.112 -13.589 -4.471 173 H ILE 22 H ILE 22 -2.076 -10.881 -8.312 174 HA ILE 22 HA ILE 22 -2.168 -13.571 -9.578 175 HB ILE 22 HB ILE 22 -3.826 -11.090 -10.187 176 HG12 ILE 22 HG12 ILE 22 -4.593 -13.519 -8.502 177 HG13 ILE 22 HG13 ILE 22 -4.272 -11.906 -7.867 178 HG21 ILE 22 HG21 ILE 22 -3.682 -12.658 -12.083 179 HG22 ILE 22 HG22 ILE 22 -4.177 -13.999 -11.029 180 HG23 ILE 22 HG23 ILE 22 -5.293 -12.668 -11.410 181 HD11 ILE 22 HD11 ILE 22 -6.619 -12.159 -7.930 182 HD12 ILE 22 HD12 ILE 22 -6.180 -11.005 -9.204 183 HD13 ILE 22 HD13 ILE 22 -6.616 -12.685 -9.616 184 H THR 23 H THR 23 -0.695 -10.426 -9.826 185 HA THR 23 HA THR 23 0.388 -11.064 -12.559 186 HB THR 23 HB THR 23 0.222 -8.650 -13.065 187 HG1 THR 23 HG1 THR 23 -1.372 -8.516 -10.734 188 HG21 THR 23 HG21 THR 23 -1.642 -10.116 -13.779 189 HG22 THR 23 HG22 THR 23 -2.490 -9.789 -12.256 190 HG23 THR 23 HG23 THR 23 -2.179 -8.468 -13.400 191 H ASN 24 H ASN 24 1.138 -9.900 -9.356 192 HA ASN 24 HA ASN 24 2.978 -9.401 -8.308 193 HB2 ASN 24 HB2 ASN 24 4.632 -9.284 -10.848 194 HB3 ASN 24 HB3 ASN 24 5.204 -9.354 -9.194 195 HD21 ASN 24 HD22 ASN 24 3.753 -11.204 -11.796 196 HD22 ASN 24 HD21 ASN 24 4.173 -12.789 -11.103 197 H ALA 25 H ALA 25 1.155 -7.424 -10.174 198 HA ALA 25 HA ALA 25 2.781 -5.077 -10.342 199 HB1 ALA 25 HB1 ALA 25 0.691 -5.440 -11.621 200 HB2 ALA 25 HB2 ALA 25 -0.248 -5.339 -10.116 201 HB3 ALA 25 HB3 ALA 25 0.651 -3.925 -10.700 202 H SER 26 H SER 26 3.429 -3.614 -8.799 203 HA SER 26 HA SER 26 2.298 -3.797 -6.050 204 HB2 SER 26 HB2 SER 26 4.521 -3.014 -5.345 205 HB3 SER 26 HB3 SER 26 4.633 -4.522 -6.268 206 HG SER 26 HG SER 26 4.844 -1.961 -7.469 207 H GLN 27 H GLN 27 1.187 -2.014 -5.303 208 HA GLN 27 HA GLN 27 1.972 0.688 -6.255 209 HB2 GLN 27 HB2 GLN 27 -0.839 -0.486 -6.376 210 HB3 GLN 27 HB3 GLN 27 -0.509 1.239 -6.455 211 HG2 GLN 27 HG2 GLN 27 0.554 -0.778 -8.478 212 HG3 GLN 27 HG3 GLN 27 -0.889 0.206 -8.678 213 HE21 GLN 27 HE22 GLN 27 2.702 0.331 -8.518 214 HE22 GLN 27 HE21 GLN 27 2.742 1.954 -9.233 215 H PHE 28 H PHE 28 1.366 2.403 -4.937 216 HA PHE 28 HA PHE 28 1.349 1.763 -2.116 217 HB2 PHE 28 HB2 PHE 28 1.425 4.437 -3.554 218 HB3 PHE 28 HB3 PHE 28 1.817 4.143 -1.858 219 HD1 PHE 28 HD2 PHE 28 3.669 2.364 -1.348 220 HD2 PHE 28 HD1 PHE 28 3.190 4.328 -5.161 221 HE1 PHE 28 HE2 PHE 28 5.981 1.790 -1.931 222 HE2 PHE 28 HE1 PHE 28 5.524 3.727 -5.755 223 HZ PHE 28 HZ PHE 28 6.929 2.445 -4.150 224 H GLU 29 H GLU 29 -1.258 1.784 -4.061 225 HA GLU 29 HA GLU 29 -3.086 3.368 -2.454 226 HB2 GLU 29 HB2 GLU 29 -3.397 1.516 -4.778 227 HB3 GLU 29 HB3 GLU 29 -4.782 1.766 -3.720 228 HG2 GLU 29 HG2 GLU 29 -3.256 3.987 -5.119 229 HG3 GLU 29 HG3 GLU 29 -4.821 3.333 -5.608 230 H ARG 30 H ARG 30 -3.414 2.968 -0.458 231 HA ARG 30 HA ARG 30 -3.572 0.228 0.599 232 HB2 ARG 30 HB2 ARG 30 -3.966 2.353 2.589 233 HB3 ARG 30 HB3 ARG 30 -2.839 1.033 2.559 234 HG2 ARG 30 HG2 ARG 30 -1.339 2.697 2.615 235 HG3 ARG 30 HG3 ARG 30 -1.483 2.655 0.887 236 HD2 ARG 30 HD2 ARG 30 -2.602 4.616 2.903 237 HD3 ARG 30 HD3 ARG 30 -1.575 4.959 1.520 238 HE ARG 30 HE ARG 30 -4.512 4.801 1.619 239 HH11 ARG 30 HH11 ARG 30 -1.828 4.807 -0.799 240 HH12 ARG 30 HH12 ARG 30 -3.001 5.484 -1.943 241 HH21 ARG 30 HH21 ARG 30 -5.805 5.405 -0.204 242 HH22 ARG 30 HH22 ARG 30 -4.862 5.661 -1.678 243 HA PRO 31 HA PRO 31 -8.016 0.322 0.917 244 HB2 PRO 31 HB2 PRO 31 -7.610 -0.440 3.817 245 HB3 PRO 31 HB3 PRO 31 -8.752 -1.153 2.632 246 HG2 PRO 31 HG2 PRO 31 -6.397 -2.433 3.175 247 HG3 PRO 31 HG3 PRO 31 -6.990 -2.279 1.504 248 HD2 PRO 31 HD2 PRO 31 -4.878 -0.645 2.900 249 HD3 PRO 31 HD3 PRO 31 -4.895 -1.325 1.237 250 H SER 32 H SER 32 -6.289 1.755 3.303 251 HA SER 32 HA SER 32 -8.109 3.729 4.419 252 HB2 SER 32 HB2 SER 32 -5.064 3.784 4.391 253 HB3 SER 32 HB3 SER 32 -6.133 4.682 5.483 254 HG SER 32 HG SER 32 -6.775 2.709 6.381 255 H GLY 33 H GLY 33 -9.089 4.825 2.677 256 HA2 GLY 33 HA2 GLY 33 -9.328 6.970 1.750 257 HA3 GLY 33 HA3 GLY 33 -7.588 7.232 1.879 258 H1 NAG 101 H1 NAG 34 11.591 0.948 -0.031 259 H2 NAG 101 H2 NAG 34 12.521 3.573 -1.325 260 H3 NAG 101 H3 NAG 34 9.805 2.186 -1.142 261 H4 NAG 101 H4 NAG 34 11.599 2.781 -3.553 262 H5 NAG 101 H5 NAG 34 10.801 0.174 -2.197 263 H61 NAG 101 H61 NAG 34 12.286 -1.010 -3.647 264 H62 NAG 101 H62 NAG 34 11.221 -0.065 -4.690 265 H81 NAG 101 H2M NAG 34 11.605 4.447 3.224 266 H82 NAG 101 H3M NAG 34 10.828 5.595 2.105 267 H83 NAG 101 H1M NAG 34 12.483 5.887 2.673 268 HN2 NAG 101 H2N NAG 34 10.477 3.609 0.801 269 HO3 NAG 101 H3O NAG 34 9.791 4.596 -1.152 270 HO4 NAG 101 H4O NAG 34 9.256 2.867 -3.623 271 HO6 NAG 101 H6O NAG 34 13.754 0.828 -3.719 Start of MODEL 4 1 H1 LYS 1 H1 LYS 1 -7.498 1.963 -2.073 2 H2 LYS 1 H2 LYS 1 -8.569 3.095 -2.527 3 H3 LYS 1 H3 LYS 1 -7.384 2.606 -3.575 4 HA LYS 1 HA LYS 1 -9.555 0.892 -2.541 5 HB2 LYS 1 HB2 LYS 1 -10.405 0.961 -4.928 6 HB3 LYS 1 HB3 LYS 1 -10.730 2.354 -3.922 7 HG2 LYS 1 HG2 LYS 1 -8.321 2.434 -5.764 8 HG3 LYS 1 HG3 LYS 1 -9.932 2.603 -6.438 9 HD2 LYS 1 HD2 LYS 1 -10.427 4.530 -5.084 10 HD3 LYS 1 HD3 LYS 1 -8.915 4.401 -4.193 11 HE2 LYS 1 HE2 LYS 1 -9.077 4.891 -7.197 12 HE3 LYS 1 HE3 LYS 1 -8.984 6.164 -5.973 13 HZ1 LYS 1 HZ1 LYS 1 -6.862 4.180 -6.631 14 HZ2 LYS 1 HZ2 LYS 1 -6.756 5.820 -6.571 15 HZ3 LYS 1 HZ3 LYS 1 -6.861 4.831 -5.227 16 H LEU 2 H LEU 2 -8.789 -1.201 -2.417 17 HA LEU 2 HA LEU 2 -6.583 -2.018 -4.200 18 HB2 LEU 2 HB2 LEU 2 -8.005 -3.421 -1.907 19 HB3 LEU 2 HB3 LEU 2 -6.748 -4.137 -2.891 20 HG LEU 2 HG LEU 2 -6.468 -1.871 -0.908 21 HD11 LEU 2 HD11 LEU 2 -5.061 -4.550 -1.216 22 HD12 LEU 2 HD12 LEU 2 -4.848 -3.396 0.112 23 HD13 LEU 2 HD13 LEU 2 -6.399 -4.223 -0.098 24 HD21 LEU 2 HD21 LEU 2 -4.376 -2.784 -2.917 25 HD22 LEU 2 HD22 LEU 2 -5.106 -1.166 -2.807 26 HD23 LEU 2 HD23 LEU 2 -4.088 -1.744 -1.505 27 HA PRO 3 HA PRO 3 -9.648 -4.086 -6.865 28 HB2 PRO 3 HB2 PRO 3 -7.214 -4.948 -8.367 29 HB3 PRO 3 HB3 PRO 3 -8.679 -4.133 -8.972 30 HG2 PRO 3 HG2 PRO 3 -6.302 -2.801 -8.708 31 HG3 PRO 3 HG3 PRO 3 -7.876 -2.010 -8.375 32 HD2 PRO 3 HD2 PRO 3 -5.913 -3.170 -6.390 33 HD3 PRO 3 HD3 PRO 3 -6.812 -1.633 -6.343 34 HA PRO 4 HA PRO 4 -9.400 -8.393 -5.636 35 HB2 PRO 4 HB2 PRO 4 -9.252 -9.130 -8.568 36 HB3 PRO 4 HB3 PRO 4 -10.254 -9.859 -7.273 37 HG2 PRO 4 HG2 PRO 4 -11.354 -8.079 -8.984 38 HG3 PRO 4 HG3 PRO 4 -11.705 -7.954 -7.229 39 HD2 PRO 4 HD2 PRO 4 -9.734 -6.355 -8.872 40 HD3 PRO 4 HD3 PRO 4 -10.880 -5.792 -7.616 41 H GLY 5 H GLY 5 -7.762 -9.611 -4.869 42 HA2 GLY 5 HA2 GLY 5 -5.865 -10.935 -4.873 43 HA3 GLY 5 HA3 GLY 5 -5.471 -10.388 -6.504 44 H TRP 6 H TRP 6 -5.881 -7.497 -4.893 45 HA TRP 6 HA TRP 6 -3.010 -7.142 -4.409 46 HB2 TRP 6 HB2 TRP 6 -5.423 -5.314 -4.286 47 HB3 TRP 6 HB3 TRP 6 -3.791 -4.827 -3.890 48 HD1 TRP 6 HD1 TRP 6 -5.688 -6.225 -6.946 49 HE1 TRP 6 HE1 TRP 6 -4.723 -5.141 -9.083 50 HE3 TRP 6 HE3 TRP 6 -1.995 -3.399 -4.823 51 HZ2 TRP 6 HZ2 TRP 6 -2.647 -3.268 -9.758 52 HZ3 TRP 6 HZ3 TRP 6 -0.608 -1.914 -6.209 53 HH2 TRP 6 HH2 TRP 6 -0.893 -1.850 -8.683 54 H GLU 7 H GLU 7 -2.032 -7.088 -2.440 55 HA GLU 7 HA GLU 7 -3.590 -6.246 -0.108 56 HB2 GLU 7 HB2 GLU 7 -3.178 -9.036 -0.543 57 HB3 GLU 7 HB3 GLU 7 -2.058 -8.588 0.731 58 HG2 GLU 7 HG2 GLU 7 -5.052 -7.980 0.744 59 HG3 GLU 7 HG3 GLU 7 -4.307 -9.386 1.499 60 H LYS 8 H LYS 8 -2.238 -5.878 1.771 61 HA LYS 8 HA LYS 8 -0.172 -4.102 1.359 62 HB2 LYS 8 HB2 LYS 8 0.170 -4.196 3.763 63 HB3 LYS 8 HB3 LYS 8 -1.549 -4.309 3.381 64 HG2 LYS 8 HG2 LYS 8 -1.357 -6.840 3.650 65 HG3 LYS 8 HG3 LYS 8 0.300 -6.599 4.176 66 HD2 LYS 8 HD2 LYS 8 -1.214 -6.939 6.060 67 HD3 LYS 8 HD3 LYS 8 -0.405 -5.380 6.132 68 HE2 LYS 8 HE2 LYS 8 -2.746 -5.258 6.850 69 HE3 LYS 8 HE3 LYS 8 -2.427 -4.210 5.465 70 HZ1 LYS 8 HZ1 LYS 8 -3.573 -5.740 4.029 71 HZ2 LYS 8 HZ2 LYS 8 -3.565 -6.929 5.020 72 HZ3 LYS 8 HZ3 LYS 8 -4.535 -5.622 5.362 73 H ARG 9 H ARG 9 2.023 -4.025 1.280 74 HA ARG 9 HA ARG 9 3.700 -6.402 1.624 75 HB2 ARG 9 HB2 ARG 9 2.557 -5.533 -0.771 76 HB3 ARG 9 HB3 ARG 9 3.938 -4.484 -0.675 77 HG2 ARG 9 HG2 ARG 9 4.366 -6.408 -1.979 78 HG3 ARG 9 HG3 ARG 9 5.431 -6.424 -0.576 79 HD2 ARG 9 HD2 ARG 9 4.367 -8.644 -1.393 80 HD3 ARG 9 HD3 ARG 9 4.418 -8.288 0.341 81 HE ARG 9 HE ARG 9 2.005 -7.508 0.100 82 HH11 ARG 9 HH11 ARG 9 3.103 -10.442 -1.471 83 HH12 ARG 9 HH12 ARG 9 1.430 -10.910 -1.775 84 HH21 ARG 9 HH21 ARG 9 0.061 -7.944 -0.855 85 HH22 ARG 9 HH22 ARG 9 -0.200 -9.586 -1.451 86 H MET 10 H MET 10 6.101 -5.602 1.396 87 HA MET 10 HA MET 10 6.511 -2.796 2.104 88 HB2 MET 10 HB2 MET 10 7.609 -3.258 4.205 89 HB3 MET 10 HB3 MET 10 5.939 -3.799 4.269 90 HG2 MET 10 HG2 MET 10 8.341 -5.622 3.835 91 HG3 MET 10 HG3 MET 10 7.571 -5.311 5.382 92 HE1 MET 10 HE1 MET 10 7.495 -7.930 5.746 93 HE2 MET 10 HE2 MET 10 6.711 -9.060 4.619 94 HE3 MET 10 HE3 MET 10 8.185 -8.194 4.126 95 H PHE 11 H PHE 11 8.456 -2.021 1.649 96 HA PHE 11 HA PHE 11 10.415 -3.662 0.191 97 HB2 PHE 11 HB2 PHE 11 10.268 -0.713 0.908 98 HB3 PHE 11 HB3 PHE 11 11.559 -1.444 -0.027 99 HD1 PHE 11 HD2 PHE 11 10.895 -2.781 -2.168 100 HD2 PHE 11 HD1 PHE 11 8.401 0.230 -0.326 101 HE1 PHE 11 HE2 PHE 11 9.663 -2.487 -4.299 102 HE2 PHE 11 HE1 PHE 11 7.244 0.561 -2.485 103 HZ PHE 11 HZ PHE 11 7.849 -0.791 -4.456 104 H ALA 12 H ALA 12 12.543 -4.079 0.911 105 HA ALA 12 HA ALA 12 13.051 -4.426 3.645 106 HB1 ALA 12 HB1 ALA 12 14.147 -5.666 1.814 107 HB2 ALA 12 HB2 ALA 12 15.000 -4.185 1.311 108 HB3 ALA 12 HB3 ALA 12 15.344 -4.921 2.889 109 H ASN 13 H ASN 13 13.376 -1.499 1.795 110 HA ASN 13 HA ASN 13 15.164 -0.035 3.520 111 HB2 ASN 13 HB2 ASN 13 12.831 0.916 1.810 112 HB3 ASN 13 HB3 ASN 13 14.136 1.921 2.422 113 HD21 ASN 13 HD21 ASN 13 14.996 1.173 -1.088 114 H GLY 14 H GLY 14 11.948 -1.213 4.105 115 HA2 GLY 14 HA2 GLY 14 10.526 -0.805 5.905 116 HA3 GLY 14 HA3 GLY 14 11.513 0.587 6.405 117 H THR 15 H THR 15 9.407 -0.491 3.610 118 HA THR 15 HA THR 15 7.963 2.070 3.772 119 HB THR 15 HB THR 15 9.428 1.294 1.226 120 HG1 THR 15 HG1 THR 15 10.151 2.739 3.363 121 HG21 THR 15 HG21 THR 15 7.246 2.407 0.783 122 HG22 THR 15 HG22 THR 15 7.700 3.720 1.892 123 HG23 THR 15 HG23 THR 15 8.605 3.467 0.387 124 H VAL 16 H VAL 16 5.838 1.609 3.559 125 HA VAL 16 HA VAL 16 5.124 -1.131 2.724 126 HB VAL 16 HB VAL 16 3.746 1.024 4.352 127 HG11 VAL 16 HG11 VAL 16 2.544 -1.651 3.500 128 HG12 VAL 16 HG12 VAL 16 1.897 -0.585 4.762 129 HG13 VAL 16 HG13 VAL 16 1.925 -0.034 3.088 130 HG21 VAL 16 HG21 VAL 16 3.878 -0.688 6.120 131 HG22 VAL 16 HG22 VAL 16 4.588 -1.844 4.975 132 HG23 VAL 16 HG23 VAL 16 5.490 -0.389 5.460 133 H TYR 17 H TYR 17 3.665 -1.637 1.204 134 HA TYR 17 HA TYR 17 2.262 0.357 -0.403 135 HB2 TYR 17 HB2 TYR 17 3.244 -0.322 -2.522 136 HB3 TYR 17 HB3 TYR 17 4.501 0.271 -1.464 137 HD1 TYR 17 HD1 TYR 17 6.031 -1.218 -0.334 138 HD2 TYR 17 HD2 TYR 17 3.326 -2.678 -3.363 139 HE1 TYR 17 HE1 TYR 17 7.537 -3.157 -0.739 140 HE2 TYR 17 HE2 TYR 17 4.804 -4.688 -3.664 141 HH TYR 17 HH TYR 17 7.868 -5.082 -1.930 142 H TYR 18 H TYR 18 1.181 -1.129 -2.343 143 HA TYR 18 HA TYR 18 0.235 -3.667 -1.094 144 HB2 TYR 18 HB2 TYR 18 -1.361 -1.602 -2.643 145 HB3 TYR 18 HB3 TYR 18 -1.967 -3.142 -2.024 146 HD1 TYR 18 HD2 TYR 18 -0.615 0.192 -1.040 147 HD2 TYR 18 HD1 TYR 18 -2.513 -3.423 0.329 148 HE1 TYR 18 HE2 TYR 18 -0.708 1.130 1.213 149 HE2 TYR 18 HE1 TYR 18 -2.730 -2.436 2.601 150 HH TYR 18 HH TYR 18 -1.269 0.697 3.443 151 H PHE 19 H PHE 19 0.067 -5.421 -2.348 152 HA PHE 19 HA PHE 19 1.113 -5.278 -5.142 153 HB2 PHE 19 HB2 PHE 19 2.859 -5.679 -3.511 154 HB3 PHE 19 HB3 PHE 19 1.936 -6.961 -2.772 155 HD1 PHE 19 HD2 PHE 19 1.581 -9.162 -4.026 156 HD2 PHE 19 HD1 PHE 19 4.440 -6.170 -5.270 157 HE1 PHE 19 HE2 PHE 19 2.937 -10.886 -5.214 158 HE2 PHE 19 HE1 PHE 19 5.681 -7.850 -6.514 159 HZ PHE 19 HZ PHE 19 4.962 -10.240 -6.459 160 H ASN 20 H ASN 20 0.006 -6.368 -6.538 161 HA ASN 20 HA ASN 20 -2.141 -8.203 -5.937 162 HB2 ASN 20 HB2 ASN 20 -2.101 -6.543 -7.833 163 HB3 ASN 20 HB3 ASN 20 -0.804 -7.466 -8.563 164 HD21 ASN 20 HD22 ASN 20 -4.221 -7.454 -7.732 165 HD22 ASN 20 HD21 ASN 20 -4.667 -8.871 -8.631 166 H HIS 21 H HIS 21 -1.300 -10.045 -4.899 167 HA HIS 21 HA HIS 21 1.006 -11.405 -6.105 168 HB2 HIS 21 HB2 HIS 21 0.646 -13.087 -4.265 169 HB3 HIS 21 HB3 HIS 21 1.084 -11.460 -3.822 170 HD2 HIS 21 HD2 HIS 21 -2.414 -13.121 -4.339 171 HE1 HIS 21 HE1 HIS 21 -2.375 -11.129 -0.564 172 HE2 HIS 21 HE2 HIS 21 -3.799 -12.489 -2.175 173 H ILE 22 H ILE 22 -1.298 -11.082 -7.822 174 HA ILE 22 HA ILE 22 -1.462 -13.927 -8.688 175 HB ILE 22 HB ILE 22 -3.452 -11.710 -9.313 176 HG12 ILE 22 HG12 ILE 22 -3.690 -14.078 -7.406 177 HG13 ILE 22 HG13 ILE 22 -3.635 -12.374 -6.953 178 HG21 ILE 22 HG21 ILE 22 -3.504 -14.685 -9.977 179 HG22 ILE 22 HG22 ILE 22 -4.796 -13.516 -10.340 180 HG23 ILE 22 HG23 ILE 22 -3.249 -13.363 -11.137 181 HD11 ILE 22 HD11 ILE 22 -5.900 -13.783 -8.389 182 HD12 ILE 22 HD12 ILE 22 -5.899 -13.038 -6.788 183 HD13 ILE 22 HD13 ILE 22 -5.779 -12.012 -8.233 184 H THR 23 H THR 23 -0.465 -10.640 -9.381 185 HA THR 23 HA THR 23 0.597 -11.441 -12.067 186 HB THR 23 HB THR 23 0.010 -9.186 -12.858 187 HG1 THR 23 HG1 THR 23 -1.423 -8.955 -10.425 188 HG21 THR 23 HG21 THR 23 -2.460 -10.543 -11.691 189 HG22 THR 23 HG22 THR 23 -2.396 -9.395 -13.043 190 HG23 THR 23 HG23 THR 23 -1.657 -10.999 -13.207 191 H ASN 24 H ASN 24 1.295 -9.850 -9.051 192 HA ASN 24 HA ASN 24 3.087 -8.953 -8.163 193 HB2 ASN 24 HB2 ASN 24 4.541 -8.759 -10.817 194 HB3 ASN 24 HB3 ASN 24 5.208 -8.587 -9.206 195 HD21 ASN 24 HD22 ASN 24 3.973 -10.878 -11.562 196 HD22 ASN 24 HD21 ASN 24 4.741 -12.292 -10.804 197 H ALA 25 H ALA 25 0.948 -7.478 -10.292 198 HA ALA 25 HA ALA 25 2.080 -4.905 -10.653 199 HB1 ALA 25 HB1 ALA 25 -0.011 -5.688 -11.728 200 HB2 ALA 25 HB2 ALA 25 -0.830 -5.681 -10.150 201 HB3 ALA 25 HB3 ALA 25 -0.258 -4.158 -10.860 202 H SER 26 H SER 26 2.548 -3.224 -9.217 203 HA SER 26 HA SER 26 1.502 -3.360 -6.449 204 HB2 SER 26 HB2 SER 26 4.082 -3.100 -5.869 205 HB3 SER 26 HB3 SER 26 3.226 -4.638 -5.942 206 HG SER 26 HG SER 26 4.106 -5.061 -7.975 207 H GLN 27 H GLN 27 1.463 -1.517 -5.352 208 HA GLN 27 HA GLN 27 2.711 0.946 -6.215 209 HB2 GLN 27 HB2 GLN 27 0.063 0.194 -7.306 210 HB3 GLN 27 HB3 GLN 27 -0.050 1.657 -6.357 211 HG2 GLN 27 HG2 GLN 27 1.893 1.235 -8.664 212 HG3 GLN 27 HG3 GLN 27 0.358 2.086 -8.753 213 HE21 GLN 27 HE22 GLN 27 2.374 3.624 -9.628 214 HE22 GLN 27 HE21 GLN 27 2.843 4.740 -8.354 215 H PHE 28 H PHE 28 1.838 2.798 -4.896 216 HA PHE 28 HA PHE 28 1.491 1.998 -2.106 217 HB2 PHE 28 HB2 PHE 28 1.633 4.753 -3.359 218 HB3 PHE 28 HB3 PHE 28 1.802 4.356 -1.647 219 HD1 PHE 28 HD1 PHE 28 3.691 2.610 -1.000 220 HD2 PHE 28 HD2 PHE 28 3.597 4.829 -4.709 221 HE1 PHE 28 HE1 PHE 28 6.074 2.208 -1.292 222 HE2 PHE 28 HE2 PHE 28 6.019 4.397 -5.008 223 HZ PHE 28 HZ PHE 28 7.275 3.085 -3.307 224 H GLU 29 H GLU 29 -0.736 2.026 -4.458 225 HA GLU 29 HA GLU 29 -3.017 3.473 -3.644 226 HB2 GLU 29 HB2 GLU 29 -2.818 2.299 -5.777 227 HB3 GLU 29 HB3 GLU 29 -2.614 0.760 -4.953 228 HG2 GLU 29 HG2 GLU 29 -4.793 0.707 -5.768 229 HG3 GLU 29 HG3 GLU 29 -4.991 1.014 -4.052 230 H ARG 30 H ARG 30 -3.779 3.504 -1.615 231 HA ARG 30 HA ARG 30 -3.508 1.189 0.177 232 HB2 ARG 30 HB2 ARG 30 -2.569 3.360 0.754 233 HB3 ARG 30 HB3 ARG 30 -4.131 4.153 0.522 234 HG2 ARG 30 HG2 ARG 30 -5.044 3.005 2.481 235 HG3 ARG 30 HG3 ARG 30 -3.505 2.136 2.714 236 HD2 ARG 30 HD2 ARG 30 -2.326 4.116 3.262 237 HD3 ARG 30 HD3 ARG 30 -3.589 5.167 2.630 238 HE ARG 30 HE ARG 30 -3.548 3.824 5.252 239 HH11 ARG 30 HH11 ARG 30 -5.537 5.654 2.991 240 HH12 ARG 30 HH12 ARG 30 -6.745 6.017 4.212 241 HH21 ARG 30 HH21 ARG 30 -5.158 4.319 6.771 242 HH22 ARG 30 HH22 ARG 30 -6.549 5.243 6.245 243 HA PRO 31 HA PRO 31 -7.587 -0.243 -0.052 244 HB2 PRO 31 HB2 PRO 31 -7.859 -0.074 2.940 245 HB3 PRO 31 HB3 PRO 31 -8.318 -1.405 1.832 246 HG2 PRO 31 HG2 PRO 31 -5.979 -1.481 3.200 247 HG3 PRO 31 HG3 PRO 31 -6.038 -1.985 1.487 248 HD2 PRO 31 HD2 PRO 31 -5.047 0.586 2.665 249 HD3 PRO 31 HD3 PRO 31 -4.397 -0.359 1.291 250 H SER 32 H SER 32 -8.133 1.730 2.560 251 HA SER 32 HA SER 32 -9.459 4.023 1.494 252 HB2 SER 32 HB2 SER 32 -11.324 1.781 2.386 253 HB3 SER 32 HB3 SER 32 -11.829 3.482 2.313 254 HG SER 32 HG SER 32 -10.587 2.188 0.123 255 H GLY 33 H GLY 33 -10.759 5.209 3.311 256 HA2 GLY 33 HA2 GLY 33 -10.804 6.150 5.408 257 HA3 GLY 33 HA3 GLY 33 -10.194 4.630 6.089 258 H1 NAG 101 H1 NAG 34 12.270 0.760 -0.208 259 H2 NAG 101 H2 NAG 34 13.164 3.472 -1.350 260 H3 NAG 101 H3 NAG 34 10.391 2.279 -0.954 261 H4 NAG 101 H4 NAG 34 11.931 3.059 -3.487 262 H5 NAG 101 H5 NAG 34 10.945 0.398 -2.386 263 H61 NAG 101 H61 NAG 34 12.104 -0.729 -4.175 264 H62 NAG 101 H62 NAG 34 10.983 0.426 -4.899 265 H81 NAG 101 H2M NAG 34 11.973 5.306 2.548 266 H82 NAG 101 H3M NAG 34 13.712 5.313 2.915 267 H83 NAG 101 H1M NAG 34 12.755 3.843 3.190 268 HN2 NAG 101 H2N NAG 34 11.522 3.082 1.144 269 HO3 NAG 101 H3O NAG 34 10.716 4.679 -0.652 270 HO4 NAG 101 H4O NAG 34 9.625 3.422 -3.211 271 HO6 NAG 101 H6O NAG 34 13.748 0.927 -4.336 Start of MODEL 5 1 H1 LYS 1 H1 LYS 1 -5.266 2.982 -3.783 2 H2 LYS 1 H2 LYS 1 -6.009 4.221 -2.998 3 H3 LYS 1 H3 LYS 1 -5.876 4.257 -4.616 4 HA LYS 1 HA LYS 1 -7.591 2.486 -3.016 5 HB2 LYS 1 HB2 LYS 1 -9.433 3.445 -4.271 6 HB3 LYS 1 HB3 LYS 1 -8.457 4.732 -3.563 7 HG2 LYS 1 HG2 LYS 1 -7.245 4.656 -5.957 8 HG3 LYS 1 HG3 LYS 1 -8.741 3.911 -6.466 9 HD2 LYS 1 HD2 LYS 1 -10.017 5.845 -5.989 10 HD3 LYS 1 HD3 LYS 1 -8.778 6.550 -4.937 11 HE2 LYS 1 HE2 LYS 1 -8.272 6.020 -7.886 12 HE3 LYS 1 HE3 LYS 1 -9.020 7.524 -7.329 13 HZ1 LYS 1 HZ1 LYS 1 -6.530 7.594 -7.557 14 HZ2 LYS 1 HZ2 LYS 1 -7.085 8.044 -6.076 15 HZ3 LYS 1 HZ3 LYS 1 -6.400 6.582 -6.257 16 H LEU 2 H LEU 2 -8.251 0.471 -3.819 17 HA LEU 2 HA LEU 2 -7.543 -0.339 -6.494 18 HB2 LEU 2 HB2 LEU 2 -5.821 -2.006 -5.626 19 HB3 LEU 2 HB3 LEU 2 -5.359 -0.327 -5.710 20 HG LEU 2 HG LEU 2 -5.829 -0.187 -3.139 21 HD11 LEU 2 HD11 LEU 2 -7.057 -2.099 -2.592 22 HD12 LEU 2 HD12 LEU 2 -6.058 -3.167 -3.559 23 HD13 LEU 2 HD13 LEU 2 -5.418 -2.485 -2.056 24 HD21 LEU 2 HD21 LEU 2 -3.581 -1.851 -4.263 25 HD22 LEU 2 HD22 LEU 2 -3.659 -0.082 -4.132 26 HD23 LEU 2 HD23 LEU 2 -3.646 -1.047 -2.670 27 HA PRO 3 HA PRO 3 -10.454 -3.492 -5.277 28 HB2 PRO 3 HB2 PRO 3 -10.307 -5.250 -7.341 29 HB3 PRO 3 HB3 PRO 3 -10.796 -3.548 -7.601 30 HG2 PRO 3 HG2 PRO 3 -8.047 -4.778 -7.954 31 HG3 PRO 3 HG3 PRO 3 -8.955 -3.771 -9.124 32 HD2 PRO 3 HD2 PRO 3 -7.069 -2.723 -7.420 33 HD3 PRO 3 HD3 PRO 3 -8.515 -1.807 -7.932 34 HA PRO 4 HA PRO 4 -8.790 -7.110 -3.161 35 HB2 PRO 4 HB2 PRO 4 -10.666 -8.699 -4.929 36 HB3 PRO 4 HB3 PRO 4 -10.355 -8.878 -3.171 37 HG2 PRO 4 HG2 PRO 4 -12.550 -7.548 -4.014 38 HG3 PRO 4 HG3 PRO 4 -11.559 -6.864 -2.682 39 HD2 PRO 4 HD2 PRO 4 -11.568 -6.104 -5.606 40 HD3 PRO 4 HD3 PRO 4 -11.526 -5.048 -4.162 41 H GLY 5 H GLY 5 -7.150 -8.550 -3.393 42 HA2 GLY 5 HA2 GLY 5 -5.864 -10.188 -4.712 43 HA3 GLY 5 HA3 GLY 5 -6.104 -9.158 -6.133 44 H TRP 6 H TRP 6 -5.701 -6.622 -4.798 45 HA TRP 6 HA TRP 6 -2.781 -6.488 -4.468 46 HB2 TRP 6 HB2 TRP 6 -5.069 -4.602 -4.764 47 HB3 TRP 6 HB3 TRP 6 -3.691 -4.041 -3.835 48 HD1 TRP 6 HD1 TRP 6 -1.352 -3.799 -5.134 49 HE1 TRP 6 HE1 TRP 6 -0.810 -3.363 -7.596 50 HE3 TRP 6 HE3 TRP 6 -5.863 -5.047 -7.164 51 HZ2 TRP 6 HZ2 TRP 6 -2.210 -3.392 -10.127 52 HZ3 TRP 6 HZ3 TRP 6 -6.224 -4.874 -9.632 53 HH2 TRP 6 HH2 TRP 6 -4.409 -4.051 -11.105 54 H GLU 7 H GLU 7 -1.914 -7.105 -2.555 55 HA GLU 7 HA GLU 7 -3.494 -6.676 -0.067 56 HB2 GLU 7 HB2 GLU 7 -3.035 -8.988 -1.068 57 HB3 GLU 7 HB3 GLU 7 -1.343 -8.740 -0.619 58 HG2 GLU 7 HG2 GLU 7 -2.124 -8.412 1.769 59 HG3 GLU 7 HG3 GLU 7 -3.770 -8.757 1.237 60 H LYS 8 H LYS 8 -2.547 -5.794 1.726 61 HA LYS 8 HA LYS 8 -0.618 -3.798 1.426 62 HB2 LYS 8 HB2 LYS 8 -2.427 -3.954 3.169 63 HB3 LYS 8 HB3 LYS 8 -1.447 -5.159 4.019 64 HG2 LYS 8 HG2 LYS 8 0.423 -3.362 4.066 65 HG3 LYS 8 HG3 LYS 8 -0.803 -2.215 3.525 66 HD2 LYS 8 HD2 LYS 8 -0.884 -3.913 6.058 67 HD3 LYS 8 HD3 LYS 8 -0.440 -2.214 6.002 68 HE2 LYS 8 HE2 LYS 8 -3.175 -3.263 5.139 69 HE3 LYS 8 HE3 LYS 8 -2.804 -2.756 6.787 70 HZ1 LYS 8 HZ1 LYS 8 -2.659 -1.007 4.395 71 HZ2 LYS 8 HZ2 LYS 8 -3.822 -0.983 5.528 72 HZ3 LYS 8 HZ3 LYS 8 -2.288 -0.546 5.944 73 H ARG 9 H ARG 9 1.568 -3.795 1.289 74 HA ARG 9 HA ARG 9 3.205 -6.013 2.346 75 HB2 ARG 9 HB2 ARG 9 2.261 -5.693 -0.260 76 HB3 ARG 9 HB3 ARG 9 3.657 -4.654 -0.292 77 HG2 ARG 9 HG2 ARG 9 4.434 -6.604 -1.062 78 HG3 ARG 9 HG3 ARG 9 4.956 -6.721 0.614 79 HD2 ARG 9 HD2 ARG 9 2.910 -8.296 -0.951 80 HD3 ARG 9 HD3 ARG 9 4.121 -8.888 0.177 81 HE ARG 9 HE ARG 9 2.230 -7.438 1.706 82 HH11 ARG 9 HH21 ARG 9 1.750 -10.301 -0.410 83 HH12 ARG 9 HH22 ARG 9 0.306 -10.647 0.582 84 HH21 ARG 9 HH12 ARG 9 0.486 -8.130 2.711 85 HH22 ARG 9 HH11 ARG 9 -0.246 -9.678 2.147 86 H MET 10 H MET 10 5.606 -5.417 2.193 87 HA MET 10 HA MET 10 6.163 -2.571 2.683 88 HB2 MET 10 HB2 MET 10 5.145 -3.389 4.756 89 HB3 MET 10 HB3 MET 10 6.278 -4.733 4.835 90 HG2 MET 10 HG2 MET 10 7.308 -1.886 4.774 91 HG3 MET 10 HG3 MET 10 6.624 -2.553 6.256 92 HE1 MET 10 HE1 MET 10 8.845 -2.064 7.593 93 HE2 MET 10 HE2 MET 10 10.453 -2.569 7.021 94 HE3 MET 10 HE3 MET 10 9.523 -1.368 6.100 95 H PHE 11 H PHE 11 8.139 -2.069 2.090 96 HA PHE 11 HA PHE 11 10.159 -4.085 1.351 97 HB2 PHE 11 HB2 PHE 11 10.039 -1.060 1.120 98 HB3 PHE 11 HB3 PHE 11 11.389 -2.053 0.600 99 HD1 PHE 11 HD1 PHE 11 10.840 -4.024 -1.066 100 HD2 PHE 11 HD2 PHE 11 8.395 -0.493 -0.535 101 HE1 PHE 11 HE1 PHE 11 9.906 -4.318 -3.343 102 HE2 PHE 11 HE2 PHE 11 7.508 -0.794 -2.832 103 HZ PHE 11 HZ PHE 11 8.256 -2.684 -4.228 104 H ALA 12 H ALA 12 11.895 -4.566 2.701 105 HA ALA 12 HA ALA 12 12.266 -3.609 5.301 106 HB1 ALA 12 HB1 ALA 12 14.313 -4.758 3.353 107 HB2 ALA 12 HB2 ALA 12 14.477 -4.680 5.119 108 HB3 ALA 12 HB3 ALA 12 13.216 -5.696 4.396 109 H ASN 13 H ASN 13 13.106 -2.046 2.354 110 HA ASN 13 HA ASN 13 15.024 -0.083 3.147 111 HB2 ASN 13 HB2 ASN 13 14.394 -0.810 0.832 112 HB3 ASN 13 HB3 ASN 13 12.770 -0.196 1.118 113 HD21 ASN 13 HD21 ASN 13 14.003 2.725 -0.564 114 H GLY 14 H GLY 14 11.764 -0.517 4.210 115 HA2 GLY 14 HA2 GLY 14 10.574 0.764 5.738 116 HA3 GLY 14 HA3 GLY 14 11.653 2.144 5.468 117 H THR 15 H THR 15 9.379 0.106 3.404 118 HA THR 15 HA THR 15 7.883 2.570 2.751 119 HB THR 15 HB THR 15 9.427 1.036 0.643 120 HG1 THR 15 HG1 THR 15 10.005 3.115 2.154 121 HG21 THR 15 HG21 THR 15 7.168 1.717 -0.205 122 HG22 THR 15 HG22 THR 15 7.509 3.385 0.301 123 HG23 THR 15 HG23 THR 15 8.482 2.616 -0.972 124 H VAL 16 H VAL 16 5.775 2.086 2.799 125 HA VAL 16 HA VAL 16 4.936 -0.744 2.507 126 HB VAL 16 HB VAL 16 3.741 1.687 3.839 127 HG11 VAL 16 HG11 VAL 16 2.198 -0.866 3.185 128 HG12 VAL 16 HG12 VAL 16 1.687 0.387 4.332 129 HG13 VAL 16 HG13 VAL 16 1.812 0.777 2.618 130 HG21 VAL 16 HG21 VAL 16 5.270 0.117 5.074 131 HG22 VAL 16 HG22 VAL 16 3.629 0.133 5.742 132 HG23 VAL 16 HG23 VAL 16 4.143 -1.212 4.702 133 H TYR 17 H TYR 17 3.399 -1.404 1.112 134 HA TYR 17 HA TYR 17 2.272 0.337 -0.942 135 HB2 TYR 17 HB2 TYR 17 3.335 -0.820 -2.804 136 HB3 TYR 17 HB3 TYR 17 4.557 -0.089 -1.781 137 HD1 TYR 17 HD1 TYR 17 5.822 -1.480 -0.117 138 HD2 TYR 17 HD2 TYR 17 3.510 -3.205 -3.324 139 HE1 TYR 17 HE1 TYR 17 7.207 -3.523 -0.011 140 HE2 TYR 17 HE2 TYR 17 4.975 -5.233 -3.261 141 HH TYR 17 HH TYR 17 7.742 -5.494 -1.058 142 H TYR 18 H TYR 18 1.005 -1.210 -2.520 143 HA TYR 18 HA TYR 18 0.105 -3.688 -1.133 144 HB2 TYR 18 HB2 TYR 18 -1.343 -1.831 -3.037 145 HB3 TYR 18 HB3 TYR 18 -1.940 -3.414 -2.532 146 HD1 TYR 18 HD2 TYR 18 -0.618 -0.230 -1.023 147 HD2 TYR 18 HD1 TYR 18 -3.424 -3.487 -0.705 148 HE1 TYR 18 HE2 TYR 18 -1.215 0.541 1.178 149 HE2 TYR 18 HE1 TYR 18 -4.284 -2.508 1.411 150 HH TYR 18 HH TYR 18 -4.150 -0.707 2.936 151 H PHE 19 H PHE 19 0.140 -5.583 -2.203 152 HA PHE 19 HA PHE 19 1.445 -5.609 -4.902 153 HB2 PHE 19 HB2 PHE 19 2.861 -6.216 -2.961 154 HB3 PHE 19 HB3 PHE 19 1.705 -7.470 -2.527 155 HD1 PHE 19 HD2 PHE 19 4.024 -6.340 -5.261 156 HD2 PHE 19 HD1 PHE 19 1.822 -9.626 -3.531 157 HE1 PHE 19 HE2 PHE 19 5.260 -7.932 -6.699 158 HE2 PHE 19 HE1 PHE 19 3.062 -11.221 -4.982 159 HZ PHE 19 HZ PHE 19 4.798 -10.379 -6.547 160 H ASN 20 H ASN 20 0.121 -6.343 -6.460 161 HA ASN 20 HA ASN 20 -2.211 -7.950 -5.938 162 HB2 ASN 20 HB2 ASN 20 -2.008 -6.271 -7.754 163 HB3 ASN 20 HB3 ASN 20 -0.816 -7.282 -8.539 164 HD21 ASN 20 HD22 ASN 20 -4.177 -6.578 -8.430 165 HD22 ASN 20 HD21 ASN 20 -4.678 -8.089 -9.161 166 H HIS 21 H HIS 21 -1.523 -9.874 -4.866 167 HA HIS 21 HA HIS 21 0.688 -11.413 -5.960 168 HB2 HIS 21 HB2 HIS 21 0.091 -13.083 -4.253 169 HB3 HIS 21 HB3 HIS 21 0.302 -11.463 -3.622 170 HD2 HIS 21 HD2 HIS 21 -2.678 -13.787 -4.621 171 HE1 HIS 21 HE1 HIS 21 -3.887 -11.299 -1.366 172 HE2 HIS 21 HE2 HIS 21 -4.599 -13.213 -2.890 173 H ILE 22 H ILE 22 -2.085 -10.975 -7.549 174 HA ILE 22 HA ILE 22 -2.291 -13.758 -8.568 175 HB ILE 22 HB ILE 22 -3.933 -11.306 -9.314 176 HG12 ILE 22 HG12 ILE 22 -4.639 -13.504 -7.317 177 HG13 ILE 22 HG13 ILE 22 -4.238 -11.841 -6.894 178 HG21 ILE 22 HG21 ILE 22 -4.421 -14.277 -9.792 179 HG22 ILE 22 HG22 ILE 22 -5.518 -12.955 -10.256 180 HG23 ILE 22 HG23 ILE 22 -3.954 -13.087 -11.025 181 HD11 ILE 22 HD11 ILE 22 -6.715 -12.741 -8.380 182 HD12 ILE 22 HD12 ILE 22 -6.587 -12.018 -6.773 183 HD13 ILE 22 HD13 ILE 22 -6.212 -11.038 -8.203 184 H THR 23 H THR 23 -0.812 -10.665 -9.221 185 HA THR 23 HA THR 23 0.061 -11.569 -11.957 186 HB THR 23 HB THR 23 -0.239 -9.245 -12.723 187 HG1 THR 23 HG1 THR 23 -1.578 -8.868 -10.262 188 HG21 THR 23 HG21 THR 23 -2.838 -10.282 -11.510 189 HG22 THR 23 HG22 THR 23 -2.654 -9.140 -12.857 190 HG23 THR 23 HG23 THR 23 -2.134 -10.826 -13.047 191 H ASN 24 H ASN 24 1.021 -10.069 -8.986 192 HA ASN 24 HA ASN 24 2.927 -9.424 -8.122 193 HB2 ASN 24 HB2 ASN 24 4.356 -9.460 -10.800 194 HB3 ASN 24 HB3 ASN 24 5.067 -9.354 -9.204 195 HD21 ASN 24 HD22 ASN 24 3.498 -11.493 -11.495 196 HD22 ASN 24 HD21 ASN 24 4.055 -12.988 -10.706 197 H ALA 25 H ALA 25 0.930 -7.673 -10.106 198 HA ALA 25 HA ALA 25 2.482 -5.300 -10.516 199 HB1 ALA 25 HB1 ALA 25 -0.535 -5.655 -10.242 200 HB2 ALA 25 HB2 ALA 25 0.300 -4.255 -10.946 201 HB3 ALA 25 HB3 ALA 25 0.403 -5.840 -11.738 202 H SER 26 H SER 26 3.092 -3.661 -9.117 203 HA SER 26 HA SER 26 2.036 -3.744 -6.344 204 HB2 SER 26 HB2 SER 26 4.160 -2.766 -5.712 205 HB3 SER 26 HB3 SER 26 4.428 -4.235 -6.648 206 HG SER 26 HG SER 26 4.278 -1.703 -7.911 207 H GLN 27 H GLN 27 0.963 -2.047 -5.500 208 HA GLN 27 HA GLN 27 0.934 0.578 -6.936 209 HB2 GLN 27 HB2 GLN 27 -1.126 -0.591 -7.420 210 HB3 GLN 27 HB3 GLN 27 -1.339 -1.037 -5.728 211 HG2 GLN 27 HG2 GLN 27 -2.875 0.748 -6.373 212 HG3 GLN 27 HG3 GLN 27 -1.785 1.273 -5.101 213 HE21 GLN 27 HE22 GLN 27 -2.916 1.950 -8.369 214 HE22 GLN 27 HE21 GLN 27 -1.797 3.287 -8.597 215 H PHE 28 H PHE 28 1.532 2.258 -5.668 216 HA PHE 28 HA PHE 28 1.966 1.866 -2.774 217 HB2 PHE 28 HB2 PHE 28 2.495 4.205 -4.637 218 HB3 PHE 28 HB3 PHE 28 2.864 4.184 -2.916 219 HD1 PHE 28 HD2 PHE 28 4.435 2.377 -1.989 220 HD2 PHE 28 HD1 PHE 28 4.068 3.259 -6.202 221 HE1 PHE 28 HE2 PHE 28 6.586 1.263 -2.412 222 HE2 PHE 28 HE1 PHE 28 6.247 2.149 -6.614 223 HZ PHE 28 HZ PHE 28 7.522 1.159 -4.723 224 H GLU 29 H GLU 29 -0.418 3.493 -4.924 225 HA GLU 29 HA GLU 29 -1.399 5.201 -2.787 226 HB2 GLU 29 HB2 GLU 29 -1.364 5.543 -5.333 227 HB3 GLU 29 HB3 GLU 29 -2.792 4.527 -5.415 228 HG2 GLU 29 HG2 GLU 29 -2.632 7.006 -3.637 229 HG3 GLU 29 HG3 GLU 29 -3.014 7.118 -5.354 230 H ARG 30 H ARG 30 -2.277 4.276 -1.066 231 HA ARG 30 HA ARG 30 -3.402 1.700 -1.047 232 HB2 ARG 30 HB2 ARG 30 -3.414 1.894 1.281 233 HB3 ARG 30 HB3 ARG 30 -2.036 2.816 0.735 234 HG2 ARG 30 HG2 ARG 30 -4.699 3.942 1.732 235 HG3 ARG 30 HG3 ARG 30 -3.205 3.778 2.634 236 HD2 ARG 30 HD2 ARG 30 -3.189 5.988 2.111 237 HD3 ARG 30 HD3 ARG 30 -2.132 5.328 0.864 238 HE ARG 30 HE ARG 30 -4.464 5.330 -0.500 239 HH11 ARG 30 HH11 ARG 30 -3.523 7.851 1.757 240 HH12 ARG 30 HH12 ARG 30 -4.366 9.088 0.864 241 HH21 ARG 30 HH21 ARG 30 -5.182 6.957 -1.741 242 HH22 ARG 30 HH22 ARG 30 -5.405 8.570 -1.066 243 HA PRO 31 HA PRO 31 -7.885 2.502 -0.954 244 HB2 PRO 31 HB2 PRO 31 -8.823 0.127 -0.129 245 HB3 PRO 31 HB3 PRO 31 -7.853 0.193 -1.628 246 HG2 PRO 31 HG2 PRO 31 -6.899 -0.510 1.175 247 HG3 PRO 31 HG3 PRO 31 -6.643 -1.438 -0.322 248 HD2 PRO 31 HD2 PRO 31 -4.868 0.411 0.727 249 HD3 PRO 31 HD3 PRO 31 -4.928 0.006 -1.011 250 H SER 32 H SER 32 -9.754 1.962 0.888 251 HA SER 32 HA SER 32 -8.891 3.124 3.425 252 HB2 SER 32 HB2 SER 32 -11.262 2.923 3.995 253 HB3 SER 32 HB3 SER 32 -11.087 3.667 2.392 254 HG SER 32 HG SER 32 -11.545 0.931 2.948 255 H GLY 33 H GLY 33 -7.227 1.253 3.479 256 HA2 GLY 33 HA2 GLY 33 -7.874 -0.734 5.448 257 HA3 GLY 33 HA3 GLY 33 -7.908 -1.455 3.831 258 H1 NAG 101 H1 NAG 34 11.810 0.812 -0.339 259 H2 NAG 101 H2 NAG 34 12.588 2.609 -2.693 260 H3 NAG 101 H3 NAG 34 10.107 0.906 -2.121 261 H4 NAG 101 H4 NAG 34 12.261 0.821 -4.291 262 H5 NAG 101 H5 NAG 34 11.484 -1.132 -2.077 263 H61 NAG 101 H61 NAG 34 13.244 -2.549 -2.732 264 H62 NAG 101 H62 NAG 34 12.514 -2.116 -4.282 265 H81 NAG 101 H2M NAG 34 9.312 5.316 -0.652 266 H82 NAG 101 H3M NAG 34 10.332 6.506 -1.490 267 H83 NAG 101 H1M NAG 34 10.961 5.646 -0.070 268 HN2 NAG 101 H2N NAG 34 10.973 3.164 -0.303 269 HO3 NAG 101 H3O NAG 34 10.342 3.173 -3.614 270 HO4 NAG 101 H4O NAG 34 9.936 0.402 -4.655 271 HO6 NAG 101 H6O NAG 34 14.575 -0.572 -3.083 Start of MODEL 6 1 H1 LYS 1 H1 LYS 1 -7.442 3.999 -2.380 2 H2 LYS 1 H2 LYS 1 -7.321 3.154 -0.980 3 H3 LYS 1 H3 LYS 1 -8.590 4.195 -1.202 4 HA LYS 1 HA LYS 1 -9.186 1.876 -1.360 5 HB2 LYS 1 HB2 LYS 1 -10.786 2.164 -2.918 6 HB3 LYS 1 HB3 LYS 1 -10.425 3.820 -2.546 7 HG2 LYS 1 HG2 LYS 1 -9.603 2.239 -5.005 8 HG3 LYS 1 HG3 LYS 1 -10.845 3.460 -4.922 9 HD2 LYS 1 HD2 LYS 1 -7.867 4.060 -4.609 10 HD3 LYS 1 HD3 LYS 1 -8.759 4.089 -6.101 11 HE2 LYS 1 HE2 LYS 1 -8.912 6.260 -5.710 12 HE3 LYS 1 HE3 LYS 1 -10.358 5.789 -4.812 13 HZ1 LYS 1 HZ1 LYS 1 -8.713 7.336 -3.659 14 HZ2 LYS 1 HZ2 LYS 1 -9.146 6.034 -2.769 15 HZ3 LYS 1 HZ3 LYS 1 -7.691 6.040 -3.509 16 H LEU 2 H LEU 2 -9.080 -0.177 -2.434 17 HA LEU 2 HA LEU 2 -7.581 -0.418 -4.842 18 HB2 LEU 2 HB2 LEU 2 -5.980 -2.113 -4.049 19 HB3 LEU 2 HB3 LEU 2 -5.678 -0.489 -3.486 20 HG LEU 2 HG LEU 2 -6.558 -1.140 -1.198 21 HD11 LEU 2 HD11 LEU 2 -7.914 -3.107 -1.503 22 HD12 LEU 2 HD12 LEU 2 -6.651 -3.909 -2.463 23 HD13 LEU 2 HD13 LEU 2 -6.417 -3.659 -0.736 24 HD21 LEU 2 HD21 LEU 2 -4.575 -2.295 -0.624 25 HD22 LEU 2 HD22 LEU 2 -4.290 -2.799 -2.295 26 HD23 LEU 2 HD23 LEU 2 -4.183 -1.084 -1.845 27 HA PRO 3 HA PRO 3 -10.521 -3.791 -4.987 28 HB2 PRO 3 HB2 PRO 3 -9.805 -5.071 -7.286 29 HB3 PRO 3 HB3 PRO 3 -10.443 -3.399 -7.282 30 HG2 PRO 3 HG2 PRO 3 -7.580 -4.324 -7.441 31 HG3 PRO 3 HG3 PRO 3 -8.388 -3.071 -8.424 32 HD2 PRO 3 HD2 PRO 3 -6.842 -2.524 -6.182 33 HD3 PRO 3 HD3 PRO 3 -8.180 -1.477 -6.746 34 HA PRO 4 HA PRO 4 -8.878 -7.387 -3.052 35 HB2 PRO 4 HB2 PRO 4 -10.179 -9.546 -4.220 36 HB3 PRO 4 HB3 PRO 4 -10.897 -8.431 -3.019 37 HG2 PRO 4 HG2 PRO 4 -11.124 -8.319 -6.037 38 HG3 PRO 4 HG3 PRO 4 -12.432 -8.161 -4.818 39 HD2 PRO 4 HD2 PRO 4 -11.339 -5.982 -5.954 40 HD3 PRO 4 HD3 PRO 4 -11.710 -5.979 -4.206 41 H GLY 5 H GLY 5 -7.174 -8.727 -3.129 42 HA2 GLY 5 HA2 GLY 5 -5.679 -10.287 -4.194 43 HA3 GLY 5 HA3 GLY 5 -5.955 -9.489 -5.742 44 H TRP 6 H TRP 6 -5.694 -6.733 -4.226 45 HA TRP 6 HA TRP 6 -2.765 -6.532 -4.275 46 HB2 TRP 6 HB2 TRP 6 -4.997 -4.520 -3.890 47 HB3 TRP 6 HB3 TRP 6 -3.284 -4.146 -3.919 48 HD1 TRP 6 HD1 TRP 6 -6.030 -5.491 -6.225 49 HE1 TRP 6 HE1 TRP 6 -5.524 -4.759 -8.652 50 HE3 TRP 6 HE3 TRP 6 -1.411 -3.389 -5.511 51 HZ2 TRP 6 HZ2 TRP 6 -3.402 -3.471 -10.081 52 HZ3 TRP 6 HZ3 TRP 6 -0.175 -2.435 -7.436 53 HH2 TRP 6 HH2 TRP 6 -1.156 -2.451 -9.708 54 H GLU 7 H GLU 7 -1.758 -7.283 -2.454 55 HA GLU 7 HA GLU 7 -3.081 -6.813 0.180 56 HB2 GLU 7 HB2 GLU 7 -3.115 -9.097 -0.806 57 HB3 GLU 7 HB3 GLU 7 -1.370 -9.159 -0.716 58 HG2 GLU 7 HG2 GLU 7 -3.249 -8.777 1.661 59 HG3 GLU 7 HG3 GLU 7 -2.669 -10.346 1.108 60 H LYS 8 H LYS 8 -1.755 -6.552 2.009 61 HA LYS 8 HA LYS 8 0.010 -4.379 1.771 62 HB2 LYS 8 HB2 LYS 8 -1.438 -4.542 3.577 63 HB3 LYS 8 HB3 LYS 8 -1.011 -6.167 3.987 64 HG2 LYS 8 HG2 LYS 8 0.898 -3.825 4.337 65 HG3 LYS 8 HG3 LYS 8 -0.314 -4.267 5.526 66 HD2 LYS 8 HD2 LYS 8 2.160 -5.848 4.781 67 HD3 LYS 8 HD3 LYS 8 1.714 -5.119 6.294 68 HE2 LYS 8 HE2 LYS 8 1.370 -7.334 6.735 69 HE3 LYS 8 HE3 LYS 8 -0.271 -6.785 6.391 70 HZ1 LYS 8 HZ1 LYS 8 0.717 -8.952 5.271 71 HZ2 LYS 8 HZ2 LYS 8 -0.275 -8.016 4.378 72 HZ3 LYS 8 HZ3 LYS 8 1.295 -7.860 4.154 73 H ARG 9 H ARG 9 2.078 -4.274 1.206 74 HA ARG 9 HA ARG 9 3.953 -6.497 1.766 75 HB2 ARG 9 HB2 ARG 9 2.765 -6.123 -0.570 76 HB3 ARG 9 HB3 ARG 9 3.785 -4.712 -0.679 77 HG2 ARG 9 HG2 ARG 9 4.783 -6.434 -1.884 78 HG3 ARG 9 HG3 ARG 9 5.795 -6.225 -0.463 79 HD2 ARG 9 HD2 ARG 9 5.535 -8.577 -1.074 80 HD3 ARG 9 HD3 ARG 9 4.876 -8.246 0.530 81 HE ARG 9 HE ARG 9 3.255 -8.607 -1.980 82 HH11 ARG 9 HH11 ARG 9 3.372 -9.133 1.552 83 HH12 ARG 9 HH12 ARG 9 1.624 -9.454 1.522 84 HH21 ARG 9 HH21 ARG 9 0.945 -8.989 -1.643 85 HH22 ARG 9 HH22 ARG 9 0.543 -9.528 -0.009 86 H MET 10 H MET 10 6.320 -5.666 1.428 87 HA MET 10 HA MET 10 6.717 -2.881 2.280 88 HB2 MET 10 HB2 MET 10 6.019 -4.237 4.277 89 HB3 MET 10 HB3 MET 10 7.436 -5.262 4.043 90 HG2 MET 10 HG2 MET 10 8.921 -3.402 4.528 91 HG3 MET 10 HG3 MET 10 7.571 -2.252 4.482 92 HE1 MET 10 HE1 MET 10 9.648 -2.452 7.012 93 HE2 MET 10 HE2 MET 10 8.330 -1.265 6.801 94 HE3 MET 10 HE3 MET 10 8.457 -2.204 8.304 95 H PHE 11 H PHE 11 8.617 -2.116 1.606 96 HA PHE 11 HA PHE 11 10.512 -3.799 0.133 97 HB2 PHE 11 HB2 PHE 11 10.272 -0.844 0.675 98 HB3 PHE 11 HB3 PHE 11 11.613 -1.543 -0.210 99 HD1 PHE 11 HD1 PHE 11 10.961 -3.165 -2.227 100 HD2 PHE 11 HD2 PHE 11 8.409 -0.047 -0.641 101 HE1 PHE 11 HE1 PHE 11 9.776 -3.005 -4.398 102 HE2 PHE 11 HE2 PHE 11 7.296 0.130 -2.836 103 HZ PHE 11 HZ PHE 11 7.970 -1.321 -4.707 104 H ALA 12 H ALA 12 12.816 -3.865 0.597 105 HA ALA 12 HA ALA 12 13.496 -4.362 3.273 106 HB1 ALA 12 HB1 ALA 12 15.772 -4.621 2.369 107 HB2 ALA 12 HB2 ALA 12 14.577 -5.377 1.302 108 HB3 ALA 12 HB3 ALA 12 15.289 -3.802 0.869 109 H ASN 13 H ASN 13 13.371 -1.257 1.748 110 HA ASN 13 HA ASN 13 15.168 0.030 3.705 111 HB2 ASN 13 HB2 ASN 13 14.604 2.090 2.485 112 HB3 ASN 13 HB3 ASN 13 15.175 0.831 1.393 113 HD21 ASN 13 HD21 ASN 13 14.117 2.192 -0.307 114 H GLY 14 H GLY 14 12.058 -1.225 3.932 115 HA2 GLY 14 HA2 GLY 14 10.749 -1.022 5.843 116 HA3 GLY 14 HA3 GLY 14 11.356 0.602 6.154 117 H THR 15 H THR 15 10.314 0.070 2.824 118 HA THR 15 HA THR 15 8.194 2.078 3.342 119 HB THR 15 HB THR 15 9.408 1.097 0.753 120 HG1 THR 15 HG1 THR 15 10.926 2.034 1.842 121 HG21 THR 15 HG21 THR 15 7.153 2.200 0.474 122 HG22 THR 15 HG22 THR 15 7.841 3.651 1.236 123 HG23 THR 15 HG23 THR 15 8.502 3.039 -0.305 124 H VAL 16 H VAL 16 6.068 1.512 3.437 125 HA VAL 16 HA VAL 16 5.308 -1.222 2.615 126 HB VAL 16 HB VAL 16 4.101 0.851 4.450 127 HG11 VAL 16 HG11 VAL 16 2.210 -0.695 4.891 128 HG12 VAL 16 HG12 VAL 16 2.133 -0.020 3.264 129 HG13 VAL 16 HG13 VAL 16 2.697 -1.691 3.506 130 HG21 VAL 16 HG21 VAL 16 4.280 -1.009 6.062 131 HG22 VAL 16 HG22 VAL 16 4.826 -2.099 4.771 132 HG23 VAL 16 HG23 VAL 16 5.847 -0.732 5.291 133 H TYR 17 H TYR 17 3.718 -1.732 1.242 134 HA TYR 17 HA TYR 17 2.250 0.250 -0.333 135 HB2 TYR 17 HB2 TYR 17 3.198 -0.504 -2.466 136 HB3 TYR 17 HB3 TYR 17 4.446 0.181 -1.454 137 HD1 TYR 17 HD1 TYR 17 6.053 -1.283 -0.240 138 HD2 TYR 17 HD2 TYR 17 3.411 -2.809 -3.285 139 HE1 TYR 17 HE1 TYR 17 7.601 -3.157 -0.629 140 HE2 TYR 17 HE2 TYR 17 4.989 -4.732 -3.655 141 HH TYR 17 HH TYR 17 8.113 -4.929 -1.995 142 H TYR 18 H TYR 18 0.911 -1.108 -2.062 143 HA TYR 18 HA TYR 18 0.309 -3.820 -0.990 144 HB2 TYR 18 HB2 TYR 18 -1.475 -1.808 -2.367 145 HB3 TYR 18 HB3 TYR 18 -1.902 -3.502 -2.097 146 HD1 TYR 18 HD2 TYR 18 -0.680 -0.467 -0.267 147 HD2 TYR 18 HD1 TYR 18 -2.940 -4.133 -0.052 148 HE1 TYR 18 HE2 TYR 18 -1.004 -0.076 2.079 149 HE2 TYR 18 HE1 TYR 18 -3.475 -3.635 2.315 150 HH TYR 18 HH TYR 18 -1.964 -0.914 4.075 151 H PHE 19 H PHE 19 0.315 -5.519 -2.178 152 HA PHE 19 HA PHE 19 1.449 -5.357 -4.932 153 HB2 PHE 19 HB2 PHE 19 3.029 -5.929 -3.199 154 HB3 PHE 19 HB3 PHE 19 1.949 -7.152 -2.557 155 HD1 PHE 19 HD2 PHE 19 1.639 -9.350 -3.745 156 HD2 PHE 19 HD1 PHE 19 4.391 -6.342 -5.178 157 HE1 PHE 19 HE2 PHE 19 2.864 -11.069 -5.032 158 HE2 PHE 19 HE1 PHE 19 5.588 -8.042 -6.467 159 HZ PHE 19 HZ PHE 19 4.845 -10.440 -6.385 160 H ASN 20 H ASN 20 0.219 -6.214 -6.431 161 HA ASN 20 HA ASN 20 -2.141 -7.789 -5.872 162 HB2 ASN 20 HB2 ASN 20 -1.967 -6.112 -7.710 163 HB3 ASN 20 HB3 ASN 20 -0.790 -7.148 -8.498 164 HD21 ASN 20 HD22 ASN 20 -4.221 -6.758 -7.660 165 HD22 ASN 20 HD21 ASN 20 -4.736 -8.181 -8.561 166 H HIS 21 H HIS 21 -1.581 -9.755 -4.904 167 HA HIS 21 HA HIS 21 0.649 -11.321 -5.885 168 HB2 HIS 21 HB2 HIS 21 -0.058 -12.974 -4.234 169 HB3 HIS 21 HB3 HIS 21 0.051 -11.360 -3.567 170 HD2 HIS 21 HD2 HIS 21 -2.835 -13.590 -5.019 171 HE1 HIS 21 HE1 HIS 21 -4.317 -11.431 -1.648 172 HE2 HIS 21 HE2 HIS 21 -4.903 -13.158 -3.443 173 H ILE 22 H ILE 22 -1.943 -10.774 -7.690 174 HA ILE 22 HA ILE 22 -2.131 -13.548 -8.764 175 HB ILE 22 HB ILE 22 -3.858 -11.114 -9.364 176 HG12 ILE 22 HG12 ILE 22 -4.492 -13.498 -7.565 177 HG13 ILE 22 HG13 ILE 22 -4.128 -11.873 -6.992 178 HG21 ILE 22 HG21 ILE 22 -3.826 -12.732 -11.218 179 HG22 ILE 22 HG22 ILE 22 -4.217 -14.052 -10.095 180 HG23 ILE 22 HG23 ILE 22 -5.386 -12.754 -10.430 181 HD11 ILE 22 HD11 ILE 22 -6.589 -12.688 -8.551 182 HD12 ILE 22 HD12 ILE 22 -6.472 -12.112 -6.884 183 HD13 ILE 22 HD13 ILE 22 -6.122 -10.998 -8.219 184 H THR 23 H THR 23 -0.753 -10.396 -9.309 185 HA THR 23 HA THR 23 0.196 -11.165 -12.056 186 HB THR 23 HB THR 23 -0.158 -8.816 -12.720 187 HG1 THR 23 HG1 THR 23 -1.506 -8.543 -10.251 188 HG21 THR 23 HG21 THR 23 -2.573 -8.716 -12.837 189 HG22 THR 23 HG22 THR 23 -2.037 -10.384 -13.119 190 HG23 THR 23 HG23 THR 23 -2.745 -9.932 -11.556 191 H ASN 24 H ASN 24 1.160 -10.137 -8.967 192 HA ASN 24 HA ASN 24 2.835 -9.208 -8.024 193 HB2 ASN 24 HB2 ASN 24 5.058 -9.581 -8.665 194 HB3 ASN 24 HB3 ASN 24 4.128 -10.996 -9.139 195 HD21 ASN 24 HD22 ASN 24 5.172 -7.839 -10.551 196 HD22 ASN 24 HD21 ASN 24 5.698 -8.588 -12.077 197 H ALA 25 H ALA 25 1.074 -7.482 -9.941 198 HA ALA 25 HA ALA 25 2.747 -5.152 -10.356 199 HB1 ALA 25 HB1 ALA 25 -0.269 -5.369 -9.944 200 HB2 ALA 25 HB2 ALA 25 0.613 -3.993 -10.640 201 HB3 ALA 25 HB3 ALA 25 0.571 -5.543 -11.500 202 H SER 26 H SER 26 2.750 -3.153 -9.013 203 HA SER 26 HA SER 26 2.007 -3.510 -6.160 204 HB2 SER 26 HB2 SER 26 4.282 -2.874 -5.477 205 HB3 SER 26 HB3 SER 26 4.300 -4.386 -6.393 206 HG SER 26 HG SER 26 4.623 -1.876 -7.653 207 H GLN 27 H GLN 27 1.208 -1.637 -5.259 208 HA GLN 27 HA GLN 27 2.301 0.929 -6.122 209 HB2 GLN 27 HB2 GLN 27 -0.399 0.021 -6.972 210 HB3 GLN 27 HB3 GLN 27 -0.443 1.538 -6.096 211 HG2 GLN 27 HG2 GLN 27 1.263 0.968 -8.548 212 HG3 GLN 27 HG3 GLN 27 -0.217 1.919 -8.508 213 HE21 GLN 27 HE22 GLN 27 2.249 3.009 -9.516 214 HE22 GLN 27 HE21 GLN 27 2.722 4.240 -8.357 215 H PHE 28 H PHE 28 1.549 2.743 -4.819 216 HA PHE 28 HA PHE 28 1.774 1.914 -2.023 217 HB2 PHE 28 HB2 PHE 28 1.868 4.642 -3.351 218 HB3 PHE 28 HB3 PHE 28 2.252 4.309 -1.661 219 HD1 PHE 28 HD2 PHE 28 4.123 2.647 -1.113 220 HD2 PHE 28 HD1 PHE 28 3.574 4.368 -5.031 221 HE1 PHE 28 HE2 PHE 28 6.425 2.004 -1.721 222 HE2 PHE 28 HE1 PHE 28 5.904 3.752 -5.620 223 HZ PHE 28 HZ PHE 28 7.344 2.580 -3.965 224 H GLU 29 H GLU 29 -0.967 2.692 -3.941 225 HA GLU 29 HA GLU 29 -2.536 3.934 -1.843 226 HB2 GLU 29 HB2 GLU 29 -2.955 3.157 -4.609 227 HB3 GLU 29 HB3 GLU 29 -4.278 2.537 -3.629 228 HG2 GLU 29 HG2 GLU 29 -3.327 5.431 -3.453 229 HG3 GLU 29 HG3 GLU 29 -4.525 4.886 -4.621 230 H ARG 30 H ARG 30 -4.252 3.030 -0.742 231 HA ARG 30 HA ARG 30 -3.844 0.242 0.176 232 HB2 ARG 30 HB2 ARG 30 -3.368 0.768 2.343 233 HB3 ARG 30 HB3 ARG 30 -2.474 1.994 1.470 234 HG2 ARG 30 HG2 ARG 30 -5.073 2.277 3.004 235 HG3 ARG 30 HG3 ARG 30 -3.485 2.894 3.448 236 HD2 ARG 30 HD2 ARG 30 -3.584 4.671 1.910 237 HD3 ARG 30 HD3 ARG 30 -4.712 3.815 0.861 238 HE ARG 30 HE ARG 30 -5.757 4.587 3.484 239 HH11 ARG 30 HH11 ARG 30 -5.831 5.287 -0.087 240 HH12 ARG 30 HH12 ARG 30 -7.338 6.213 0.239 241 HH21 ARG 30 HH21 ARG 30 -7.885 5.408 3.382 242 HH22 ARG 30 HH22 ARG 30 -8.253 6.367 1.938 243 HA PRO 31 HA PRO 31 -8.253 -0.242 0.646 244 HB2 PRO 31 HB2 PRO 31 -7.838 -0.823 3.570 245 HB3 PRO 31 HB3 PRO 31 -8.781 -1.745 2.357 246 HG2 PRO 31 HG2 PRO 31 -6.351 -2.611 3.141 247 HG3 PRO 31 HG3 PRO 31 -6.791 -2.659 1.402 248 HD2 PRO 31 HD2 PRO 31 -5.146 -0.580 2.869 249 HD3 PRO 31 HD3 PRO 31 -4.797 -1.387 1.314 250 H SER 32 H SER 32 -10.165 0.497 2.032 251 HA SER 32 HA SER 32 -11.486 2.208 2.724 252 HB2 SER 32 HB2 SER 32 -10.855 3.837 4.323 253 HB3 SER 32 HB3 SER 32 -10.042 2.328 4.758 254 HG SER 32 HG SER 32 -8.247 3.175 3.461 255 H GLY 33 H GLY 33 -11.283 5.010 2.580 256 HA2 GLY 33 HA2 GLY 33 -11.779 5.436 -0.145 257 HA3 GLY 33 HA3 GLY 33 -11.489 6.704 1.053 258 H1 NAG 101 H1 NAG 34 11.406 1.036 -0.633 259 H2 NAG 101 H2 NAG 34 12.463 3.439 -2.209 260 H3 NAG 101 H3 NAG 34 9.876 1.794 -2.190 261 H4 NAG 101 H4 NAG 34 12.036 2.293 -4.277 262 H5 NAG 101 H5 NAG 34 11.250 -0.234 -2.783 263 H61 NAG 101 H61 NAG 34 13.092 -1.364 -3.758 264 H62 NAG 101 H62 NAG 34 12.283 -0.571 -5.112 265 H81 NAG 101 H2M NAG 34 11.004 5.790 1.098 266 H82 NAG 101 H3M NAG 34 9.331 5.688 0.503 267 H83 NAG 101 H1M NAG 34 10.385 7.016 -0.030 268 HN2 NAG 101 H2N NAG 34 10.876 3.456 0.231 269 HO3 NAG 101 H3O NAG 34 10.248 4.393 -2.966 270 HO4 NAG 101 H4O NAG 34 9.748 2.023 -4.804 271 HO6 NAG 101 H6O NAG 34 14.415 0.595 -3.613 Start of MODEL 7 1 H1 LYS 1 H1 LYS 1 -12.694 0.008 -1.723 2 H2 LYS 1 H2 LYS 1 -13.015 1.438 -0.966 3 H3 LYS 1 H3 LYS 1 -12.027 0.370 -0.259 4 HA LYS 1 HA LYS 1 -11.500 1.833 -2.761 5 HB2 LYS 1 HB2 LYS 1 -11.256 3.294 -0.876 6 HB3 LYS 1 HB3 LYS 1 -10.221 2.146 -0.021 7 HG2 LYS 1 HG2 LYS 1 -8.440 2.403 -1.611 8 HG3 LYS 1 HG3 LYS 1 -9.472 3.305 -2.733 9 HD2 LYS 1 HD2 LYS 1 -9.526 5.232 -1.323 10 HD3 LYS 1 HD3 LYS 1 -8.903 4.340 0.068 11 HE2 LYS 1 HE2 LYS 1 -7.183 5.828 -0.909 12 HE3 LYS 1 HE3 LYS 1 -6.716 4.130 -0.917 13 HZ1 LYS 1 HZ1 LYS 1 -7.275 3.973 -3.232 14 HZ2 LYS 1 HZ2 LYS 1 -7.658 5.607 -3.309 15 HZ3 LYS 1 HZ3 LYS 1 -6.128 4.972 -3.003 16 H LEU 2 H LEU 2 -9.965 -0.566 -0.462 17 HA LEU 2 HA LEU 2 -7.737 -1.105 -2.043 18 HB2 LEU 2 HB2 LEU 2 -8.131 -1.926 0.230 19 HB3 LEU 2 HB3 LEU 2 -9.396 -2.991 -0.332 20 HG LEU 2 HG LEU 2 -7.857 -4.482 -1.362 21 HD11 LEU 2 HD11 LEU 2 -5.698 -2.372 -1.051 22 HD12 LEU 2 HD12 LEU 2 -5.387 -4.091 -1.370 23 HD13 LEU 2 HD13 LEU 2 -6.297 -3.151 -2.528 24 HD21 LEU 2 HD21 LEU 2 -8.003 -4.597 1.092 25 HD22 LEU 2 HD22 LEU 2 -6.435 -5.143 0.480 26 HD23 LEU 2 HD23 LEU 2 -6.583 -3.535 1.224 27 HA PRO 3 HA PRO 3 -9.809 -2.965 -5.612 28 HB2 PRO 3 HB2 PRO 3 -7.563 -3.378 -7.215 29 HB3 PRO 3 HB3 PRO 3 -8.477 -1.852 -7.068 30 HG2 PRO 3 HG2 PRO 3 -5.943 -2.643 -5.614 31 HG3 PRO 3 HG3 PRO 3 -6.329 -1.091 -6.415 32 HD2 PRO 3 HD2 PRO 3 -6.551 -1.413 -3.751 33 HD3 PRO 3 HD3 PRO 3 -7.749 -0.453 -4.654 34 HA PRO 4 HA PRO 4 -9.614 -7.185 -4.758 35 HB2 PRO 4 HB2 PRO 4 -10.242 -8.472 -7.115 36 HB3 PRO 4 HB3 PRO 4 -11.396 -7.488 -6.165 37 HG2 PRO 4 HG2 PRO 4 -9.751 -6.627 -8.563 38 HG3 PRO 4 HG3 PRO 4 -11.505 -6.381 -8.277 39 HD2 PRO 4 HD2 PRO 4 -9.706 -4.428 -7.749 40 HD3 PRO 4 HD3 PRO 4 -11.094 -4.704 -6.654 41 H GLY 5 H GLY 5 -8.114 -8.684 -4.349 42 HA2 GLY 5 HA2 GLY 5 -6.390 -10.190 -4.682 43 HA3 GLY 5 HA3 GLY 5 -6.182 -9.605 -6.333 44 H TRP 6 H TRP 6 -6.081 -6.844 -4.326 45 HA TRP 6 HA TRP 6 -3.142 -6.809 -4.339 46 HB2 TRP 6 HB2 TRP 6 -5.261 -4.705 -3.879 47 HB3 TRP 6 HB3 TRP 6 -3.538 -4.429 -3.766 48 HD1 TRP 6 HD1 TRP 6 -6.190 -5.427 -6.345 49 HE1 TRP 6 HE1 TRP 6 -5.462 -4.683 -8.690 50 HE3 TRP 6 HE3 TRP 6 -1.489 -3.770 -5.224 51 HZ2 TRP 6 HZ2 TRP 6 -3.082 -3.647 -9.941 52 HZ3 TRP 6 HZ3 TRP 6 0.024 -3.010 -7.025 53 HH2 TRP 6 HH2 TRP 6 -0.751 -2.958 -9.390 54 H GLU 7 H GLU 7 -1.941 -7.065 -2.591 55 HA GLU 7 HA GLU 7 -3.225 -7.388 0.069 56 HB2 GLU 7 HB2 GLU 7 -2.444 -9.333 -1.585 57 HB3 GLU 7 HB3 GLU 7 -0.839 -8.913 -1.022 58 HG2 GLU 7 HG2 GLU 7 -3.216 -9.821 0.664 59 HG3 GLU 7 HG3 GLU 7 -1.830 -10.814 0.193 60 H LYS 8 H LYS 8 -1.920 -6.697 1.915 61 HA LYS 8 HA LYS 8 -0.348 -4.341 1.166 62 HB2 LYS 8 HB2 LYS 8 -0.483 -3.529 3.251 63 HB3 LYS 8 HB3 LYS 8 -1.988 -4.415 3.138 64 HG2 LYS 8 HG2 LYS 8 0.502 -5.498 4.549 65 HG3 LYS 8 HG3 LYS 8 -0.673 -4.473 5.327 66 HD2 LYS 8 HD2 LYS 8 -2.112 -6.110 5.702 67 HD3 LYS 8 HD3 LYS 8 -2.067 -6.697 4.053 68 HE2 LYS 8 HE2 LYS 8 0.106 -7.293 6.117 69 HE3 LYS 8 HE3 LYS 8 -1.315 -8.323 5.865 70 HZ1 LYS 8 HZ1 LYS 8 -0.665 -8.605 3.559 71 HZ2 LYS 8 HZ2 LYS 8 0.642 -7.695 3.710 72 HZ3 LYS 8 HZ3 LYS 8 0.546 -9.134 4.533 73 H ARG 9 H ARG 9 1.854 -3.863 1.369 74 HA ARG 9 HA ARG 9 3.670 -5.963 2.305 75 HB2 ARG 9 HB2 ARG 9 2.711 -5.770 -0.242 76 HB3 ARG 9 HB3 ARG 9 3.858 -4.454 -0.319 77 HG2 ARG 9 HG2 ARG 9 4.649 -6.559 -1.181 78 HG3 ARG 9 HG3 ARG 9 5.682 -5.979 0.139 79 HD2 ARG 9 HD2 ARG 9 5.312 -8.421 0.140 80 HD3 ARG 9 HD3 ARG 9 4.848 -7.649 1.646 81 HE ARG 9 HE ARG 9 2.526 -8.025 1.185 82 HH11 ARG 9 HH21 ARG 9 4.449 -9.228 -1.473 83 HH12 ARG 9 HH22 ARG 9 3.200 -10.290 -2.052 84 HH21 ARG 9 HH11 ARG 9 1.004 -9.595 0.578 85 HH22 ARG 9 HH12 ARG 9 1.298 -10.493 -0.884 86 H MET 10 H MET 10 6.030 -5.056 2.049 87 HA MET 10 HA MET 10 6.303 -2.164 2.268 88 HB2 MET 10 HB2 MET 10 5.651 -2.970 4.593 89 HB3 MET 10 HB3 MET 10 7.099 -3.981 4.583 90 HG2 MET 10 HG2 MET 10 8.436 -1.825 4.199 91 HG3 MET 10 HG3 MET 10 6.928 -0.950 4.454 92 HE1 MET 10 HE1 MET 10 8.727 -4.064 6.250 93 HE2 MET 10 HE2 MET 10 9.931 -2.793 5.939 94 HE3 MET 10 HE3 MET 10 9.451 -3.175 7.608 95 H PHE 11 H PHE 11 8.249 -1.566 1.417 96 HA PHE 11 HA PHE 11 10.110 -3.554 0.432 97 HB2 PHE 11 HB2 PHE 11 10.133 -0.549 0.550 98 HB3 PHE 11 HB3 PHE 11 11.470 -1.474 -0.107 99 HD1 PHE 11 HD1 PHE 11 10.889 -3.303 -1.910 100 HD2 PHE 11 HD2 PHE 11 8.380 0.093 -0.982 101 HE1 PHE 11 HE1 PHE 11 9.813 -3.488 -4.131 102 HE2 PHE 11 HE2 PHE 11 7.327 -0.111 -3.227 103 HZ PHE 11 HZ PHE 11 8.033 -1.874 -4.790 104 H ALA 12 H ALA 12 12.430 -3.681 0.980 105 HA ALA 12 HA ALA 12 12.928 -4.047 3.717 106 HB1 ALA 12 HB1 ALA 12 14.081 -5.225 1.885 107 HB2 ALA 12 HB2 ALA 12 14.887 -3.712 1.404 108 HB3 ALA 12 HB3 ALA 12 15.242 -4.453 2.978 109 H ASN 13 H ASN 13 13.094 -1.069 1.962 110 HA ASN 13 HA ASN 13 14.762 0.302 3.974 111 HB2 ASN 13 HB2 ASN 13 14.392 2.275 2.511 112 HB3 ASN 13 HB3 ASN 13 15.069 0.900 1.645 113 HD21 ASN 13 HD21 ASN 13 14.311 1.760 -0.412 114 H GLY 14 H GLY 14 11.602 -0.793 4.036 115 HA2 GLY 14 HA2 GLY 14 10.136 -0.345 5.793 116 HA3 GLY 14 HA3 GLY 14 10.781 1.283 5.977 117 H THR 15 H THR 15 9.995 0.434 2.616 118 HA THR 15 HA THR 15 7.924 2.558 2.824 119 HB THR 15 HB THR 15 9.236 1.377 0.385 120 HG1 THR 15 HG1 THR 15 10.755 2.338 1.496 121 HG21 THR 15 HG21 THR 15 8.469 3.351 -0.776 122 HG22 THR 15 HG22 THR 15 7.053 2.549 -0.073 123 HG23 THR 15 HG23 THR 15 7.725 3.995 0.709 124 H VAL 16 H VAL 16 6.068 1.630 3.528 125 HA VAL 16 HA VAL 16 4.788 -0.703 2.741 126 HB VAL 16 HB VAL 16 3.735 1.955 3.667 127 HG11 VAL 16 HG11 VAL 16 2.058 -0.529 3.061 128 HG12 VAL 16 HG12 VAL 16 1.521 0.864 4.022 129 HG13 VAL 16 HG13 VAL 16 1.882 1.077 2.310 130 HG21 VAL 16 HG21 VAL 16 3.794 -0.866 4.849 131 HG22 VAL 16 HG22 VAL 16 4.940 0.436 5.255 132 HG23 VAL 16 HG23 VAL 16 3.229 0.600 5.679 133 H TYR 17 H TYR 17 3.592 -1.486 1.090 134 HA TYR 17 HA TYR 17 2.365 0.329 -0.844 135 HB2 TYR 17 HB2 TYR 17 3.315 -0.744 -2.828 136 HB3 TYR 17 HB3 TYR 17 4.556 0.010 -1.880 137 HD1 TYR 17 HD1 TYR 17 6.049 -1.328 -0.473 138 HD2 TYR 17 HD2 TYR 17 3.413 -3.208 -3.285 139 HE1 TYR 17 HE1 TYR 17 7.567 -3.283 -0.564 140 HE2 TYR 17 HE2 TYR 17 4.920 -5.203 -3.353 141 HH TYR 17 HH TYR 17 7.067 -5.952 -2.859 142 H TYR 18 H TYR 18 0.986 -1.060 -2.420 143 HA TYR 18 HA TYR 18 0.166 -3.656 -1.224 144 HB2 TYR 18 HB2 TYR 18 -1.362 -1.592 -2.827 145 HB3 TYR 18 HB3 TYR 18 -1.926 -3.254 -2.620 146 HD1 TYR 18 HD2 TYR 18 -0.667 -0.343 -0.619 147 HD2 TYR 18 HD1 TYR 18 -3.188 -3.847 -0.675 148 HE1 TYR 18 HE2 TYR 18 -1.054 -0.064 1.718 149 HE2 TYR 18 HE1 TYR 18 -3.884 -3.394 1.623 150 HH TYR 18 HH TYR 18 -3.422 -2.147 3.539 151 H PHE 19 H PHE 19 0.097 -5.445 -2.311 152 HA PHE 19 HA PHE 19 1.475 -5.589 -4.944 153 HB2 PHE 19 HB2 PHE 19 2.828 -6.207 -2.996 154 HB3 PHE 19 HB3 PHE 19 1.594 -7.313 -2.438 155 HD1 PHE 19 HD1 PHE 19 4.249 -6.737 -4.930 156 HD2 PHE 19 HD2 PHE 19 1.207 -9.502 -3.599 157 HE1 PHE 19 HE1 PHE 19 5.383 -8.550 -6.132 158 HE2 PHE 19 HE2 PHE 19 2.367 -11.340 -4.809 159 HZ PHE 19 HZ PHE 19 4.460 -10.880 -6.053 160 H ASN 20 H ASN 20 0.130 -6.286 -6.492 161 HA ASN 20 HA ASN 20 -2.309 -7.733 -5.993 162 HB2 ASN 20 HB2 ASN 20 -1.913 -6.162 -7.910 163 HB3 ASN 20 HB3 ASN 20 -0.773 -7.311 -8.568 164 HD21 ASN 20 HD22 ASN 20 -4.241 -6.799 -7.743 165 HD22 ASN 20 HD21 ASN 20 -4.785 -8.168 -8.687 166 H HIS 21 H HIS 21 -2.097 -9.768 -5.070 167 HA HIS 21 HA HIS 21 0.181 -11.448 -5.715 168 HB2 HIS 21 HB2 HIS 21 -0.736 -13.003 -4.162 169 HB3 HIS 21 HB3 HIS 21 -0.883 -11.388 -3.501 170 HD2 HIS 21 HD2 HIS 21 -3.221 -13.886 -5.431 171 HE1 HIS 21 HE1 HIS 21 -5.550 -11.800 -2.530 172 HE2 HIS 21 HE2 HIS 21 -5.600 -13.610 -4.339 173 H ILE 22 H ILE 22 -2.365 -10.801 -7.735 174 HA ILE 22 HA ILE 22 -2.557 -13.560 -8.814 175 HB ILE 22 HB ILE 22 -4.032 -11.035 -9.662 176 HG12 ILE 22 HG12 ILE 22 -4.964 -13.257 -7.786 177 HG13 ILE 22 HG13 ILE 22 -4.576 -11.608 -7.300 178 HG21 ILE 22 HG21 ILE 22 -4.575 -13.975 -10.266 179 HG22 ILE 22 HG22 ILE 22 -5.584 -12.606 -10.785 180 HG23 ILE 22 HG23 ILE 22 -3.966 -12.769 -11.419 181 HD11 ILE 22 HD11 ILE 22 -6.421 -10.755 -8.758 182 HD12 ILE 22 HD12 ILE 22 -6.927 -12.447 -9.012 183 HD13 ILE 22 HD13 ILE 22 -6.933 -11.759 -7.386 184 H THR 23 H THR 23 -0.884 -10.561 -9.291 185 HA THR 23 HA THR 23 0.193 -11.476 -11.948 186 HB THR 23 HB THR 23 0.201 -9.101 -12.629 187 HG1 THR 23 HG1 THR 23 -1.411 -8.681 -10.344 188 HG21 THR 23 HG21 THR 23 -1.756 -10.489 -13.259 189 HG22 THR 23 HG22 THR 23 -2.593 -9.983 -11.777 190 HG23 THR 23 HG23 THR 23 -2.177 -8.782 -13.018 191 H ASN 24 H ASN 24 0.978 -10.110 -8.827 192 HA ASN 24 HA ASN 24 2.838 -9.662 -7.784 193 HB2 ASN 24 HB2 ASN 24 4.531 -9.895 -10.292 194 HB3 ASN 24 HB3 ASN 24 5.074 -9.855 -8.628 195 HD21 ASN 24 HD22 ASN 24 3.530 -11.822 -11.081 196 HD22 ASN 24 HD21 ASN 24 3.821 -13.364 -10.243 197 H ALA 25 H ALA 25 1.223 -7.737 -9.902 198 HA ALA 25 HA ALA 25 3.022 -5.544 -10.251 199 HB1 ALA 25 HB1 ALA 25 0.971 -4.281 -10.742 200 HB2 ALA 25 HB2 ALA 25 0.926 -5.869 -11.530 201 HB3 ALA 25 HB3 ALA 25 -0.022 -5.582 -10.055 202 H SER 26 H SER 26 3.590 -3.812 -8.909 203 HA SER 26 HA SER 26 2.481 -3.799 -6.139 204 HB2 SER 26 HB2 SER 26 4.729 -3.219 -5.401 205 HB3 SER 26 HB3 SER 26 4.744 -4.752 -6.266 206 HG SER 26 HG SER 26 5.183 -2.281 -7.584 207 H GLN 27 H GLN 27 1.551 -1.903 -5.504 208 HA GLN 27 HA GLN 27 2.467 0.647 -6.758 209 HB2 GLN 27 HB2 GLN 27 -0.414 -0.304 -6.451 210 HB3 GLN 27 HB3 GLN 27 0.061 1.361 -6.800 211 HG2 GLN 27 HG2 GLN 27 1.213 0.566 -8.884 212 HG3 GLN 27 HG3 GLN 27 0.541 -1.044 -8.596 213 HE21 GLN 27 HE22 GLN 27 -2.037 -1.091 -8.342 214 HE22 GLN 27 HE21 GLN 27 -2.829 0.119 -9.351 215 H PHE 28 H PHE 28 2.336 2.457 -5.486 216 HA PHE 28 HA PHE 28 2.123 2.140 -2.623 217 HB2 PHE 28 HB2 PHE 28 2.469 4.632 -4.329 218 HB3 PHE 28 HB3 PHE 28 2.756 4.499 -2.590 219 HD1 PHE 28 HD2 PHE 28 4.391 2.557 -1.835 220 HD2 PHE 28 HD1 PHE 28 4.348 4.337 -5.766 221 HE1 PHE 28 HE2 PHE 28 6.692 1.773 -2.213 222 HE2 PHE 28 HE1 PHE 28 6.660 3.518 -6.153 223 HZ PHE 28 HZ PHE 28 7.835 2.222 -4.383 224 H GLU 29 H GLU 29 -0.348 2.118 -4.687 225 HA GLU 29 HA GLU 29 -2.298 3.945 -3.670 226 HB2 GLU 29 HB2 GLU 29 -2.865 2.881 -5.664 227 HB3 GLU 29 HB3 GLU 29 -2.313 1.306 -5.118 228 HG2 GLU 29 HG2 GLU 29 -4.730 1.383 -5.413 229 HG3 GLU 29 HG3 GLU 29 -4.274 0.944 -3.782 230 H ARG 30 H ARG 30 -2.751 4.154 -1.589 231 HA ARG 30 HA ARG 30 -2.614 1.783 0.186 232 HB2 ARG 30 HB2 ARG 30 -0.983 3.548 0.646 233 HB3 ARG 30 HB3 ARG 30 -2.294 4.694 0.934 234 HG2 ARG 30 HG2 ARG 30 -2.837 2.340 2.544 235 HG3 ARG 30 HG3 ARG 30 -1.126 2.688 2.703 236 HD2 ARG 30 HD2 ARG 30 -2.332 3.781 4.469 237 HD3 ARG 30 HD3 ARG 30 -1.650 5.003 3.407 238 HE ARG 30 HE ARG 30 -4.538 4.112 3.420 239 HH11 ARG 30 HH11 ARG 30 -2.271 6.614 2.538 240 HH12 ARG 30 HH12 ARG 30 -3.488 7.856 2.431 241 HH21 ARG 30 HH21 ARG 30 -6.068 5.819 3.518 242 HH22 ARG 30 HH22 ARG 30 -5.600 7.373 2.889 243 HA PRO 31 HA PRO 31 -7.094 2.519 0.283 244 HB2 PRO 31 HB2 PRO 31 -7.869 0.200 1.455 245 HB3 PRO 31 HB3 PRO 31 -7.215 0.266 -0.209 246 HG2 PRO 31 HG2 PRO 31 -5.672 -0.385 2.337 247 HG3 PRO 31 HG3 PRO 31 -5.761 -1.343 0.842 248 HD2 PRO 31 HD2 PRO 31 -3.781 0.451 1.347 249 HD3 PRO 31 HD3 PRO 31 -4.384 0.183 -0.322 250 H SER 32 H SER 32 -8.785 2.248 2.057 251 HA SER 32 HA SER 32 -7.993 2.267 4.834 252 HB2 SER 32 HB2 SER 32 -9.188 4.823 3.666 253 HB3 SER 32 HB3 SER 32 -8.957 4.480 5.399 254 HG SER 32 HG SER 32 -6.726 3.923 3.994 255 H GLY 33 H GLY 33 -9.495 0.632 3.029 256 HA2 GLY 33 HA2 GLY 33 -11.546 -0.583 3.805 257 HA3 GLY 33 HA3 GLY 33 -12.358 0.992 3.680 258 H1 NAG 101 H1 NAG 34 11.478 0.986 -0.788 259 H2 NAG 101 H2 NAG 34 12.839 3.177 -2.424 260 H3 NAG 101 H3 NAG 34 10.060 1.939 -2.209 261 H4 NAG 101 H4 NAG 34 12.123 2.092 -4.462 262 H5 NAG 101 H5 NAG 34 11.142 -0.297 -2.857 263 H61 NAG 101 H61 NAG 34 12.978 -1.573 -3.828 264 H62 NAG 101 H62 NAG 34 11.951 -0.930 -5.115 265 H81 NAG 101 H2M NAG 34 10.831 5.958 0.349 266 H82 NAG 101 H3M NAG 34 12.452 6.634 0.616 267 H83 NAG 101 H1M NAG 34 11.894 5.260 1.595 268 HN2 NAG 101 H2N NAG 34 10.726 3.676 -0.365 269 HO3 NAG 101 H3O NAG 34 9.785 3.342 -4.161 270 HO4 NAG 101 H4O NAG 34 10.573 0.806 -5.550 271 HO6 NAG 101 H6O NAG 34 14.362 0.261 -4.135 Start of MODEL 8 1 H1 LYS 1 H1 LYS 1 -7.399 3.236 -3.145 2 H2 LYS 1 H2 LYS 1 -7.290 2.468 -1.698 3 H3 LYS 1 H3 LYS 1 -8.578 3.419 -2.007 4 HA LYS 1 HA LYS 1 -9.207 1.159 -2.116 5 HB2 LYS 1 HB2 LYS 1 -10.316 1.110 -4.266 6 HB3 LYS 1 HB3 LYS 1 -10.546 2.617 -3.446 7 HG2 LYS 1 HG2 LYS 1 -8.691 2.118 -5.823 8 HG3 LYS 1 HG3 LYS 1 -10.290 2.834 -5.890 9 HD2 LYS 1 HD2 LYS 1 -7.783 4.070 -4.739 10 HD3 LYS 1 HD3 LYS 1 -8.668 4.580 -6.156 11 HE2 LYS 1 HE2 LYS 1 -10.429 5.552 -4.933 12 HE3 LYS 1 HE3 LYS 1 -10.137 4.538 -3.530 13 HZ1 LYS 1 HZ1 LYS 1 -8.723 6.985 -4.234 14 HZ2 LYS 1 HZ2 LYS 1 -9.283 6.422 -2.758 15 HZ3 LYS 1 HZ3 LYS 1 -7.916 5.810 -3.392 16 H LEU 2 H LEU 2 -9.024 -0.942 -2.809 17 HA LEU 2 HA LEU 2 -7.458 -1.655 -5.040 18 HB2 LEU 2 HB2 LEU 2 -5.955 -3.251 -3.824 19 HB3 LEU 2 HB3 LEU 2 -5.559 -1.562 -3.805 20 HG LEU 2 HG LEU 2 -6.462 -1.450 -1.373 21 HD11 LEU 2 HD11 LEU 2 -7.695 -3.501 -1.068 22 HD12 LEU 2 HD12 LEU 2 -6.399 -4.473 -1.793 23 HD13 LEU 2 HD13 LEU 2 -6.156 -3.726 -0.214 24 HD21 LEU 2 HD21 LEU 2 -4.435 -2.240 -0.522 25 HD22 LEU 2 HD22 LEU 2 -4.102 -3.216 -1.976 26 HD23 LEU 2 HD23 LEU 2 -4.107 -1.434 -2.051 27 HA PRO 3 HA PRO 3 -10.594 -4.861 -4.536 28 HB2 PRO 3 HB2 PRO 3 -10.127 -6.335 -6.800 29 HB3 PRO 3 HB3 PRO 3 -10.782 -4.672 -6.853 30 HG2 PRO 3 HG2 PRO 3 -7.920 -5.582 -7.225 31 HG3 PRO 3 HG3 PRO 3 -8.869 -4.470 -8.258 32 HD2 PRO 3 HD2 PRO 3 -7.152 -3.552 -6.317 33 HD3 PRO 3 HD3 PRO 3 -8.663 -2.704 -6.741 34 HA PRO 4 HA PRO 4 -8.658 -8.595 -2.867 35 HB2 PRO 4 HB2 PRO 4 -10.089 -10.690 -3.988 36 HB3 PRO 4 HB3 PRO 4 -10.651 -9.679 -2.621 37 HG2 PRO 4 HG2 PRO 4 -11.299 -9.363 -5.565 38 HG3 PRO 4 HG3 PRO 4 -12.428 -9.333 -4.171 39 HD2 PRO 4 HD2 PRO 4 -11.551 -7.044 -5.273 40 HD3 PRO 4 HD3 PRO 4 -11.674 -7.181 -3.500 41 H GLY 5 H GLY 5 -6.955 -9.911 -3.367 42 HA2 GLY 5 HA2 GLY 5 -5.577 -11.177 -4.956 43 HA3 GLY 5 HA3 GLY 5 -6.025 -10.012 -6.210 44 H TRP 6 H TRP 6 -5.800 -7.791 -4.040 45 HA TRP 6 HA TRP 6 -2.885 -7.381 -4.072 46 HB2 TRP 6 HB2 TRP 6 -5.257 -5.648 -3.343 47 HB3 TRP 6 HB3 TRP 6 -3.577 -5.154 -3.228 48 HD1 TRP 6 HD1 TRP 6 -6.206 -6.075 -5.856 49 HE1 TRP 6 HE1 TRP 6 -5.635 -4.891 -8.083 50 HE3 TRP 6 HE3 TRP 6 -1.627 -4.206 -4.617 51 HZ2 TRP 6 HZ2 TRP 6 -3.450 -3.386 -9.182 52 HZ3 TRP 6 HZ3 TRP 6 -0.294 -2.983 -6.289 53 HH2 TRP 6 HH2 TRP 6 -1.187 -2.531 -8.561 54 H GLU 7 H GLU 7 -1.667 -7.173 -2.173 55 HA GLU 7 HA GLU 7 -3.086 -7.218 0.422 56 HB2 GLU 7 HB2 GLU 7 -2.574 -9.541 -0.053 57 HB3 GLU 7 HB3 GLU 7 -0.910 -9.149 -0.452 58 HG2 GLU 7 HG2 GLU 7 -1.076 -10.266 1.695 59 HG3 GLU 7 HG3 GLU 7 -0.384 -8.667 1.856 60 H LYS 8 H LYS 8 -1.851 -6.419 2.151 61 HA LYS 8 HA LYS 8 -0.159 -4.131 1.604 62 HB2 LYS 8 HB2 LYS 8 -0.098 -3.878 4.012 63 HB3 LYS 8 HB3 LYS 8 -1.727 -4.337 3.514 64 HG2 LYS 8 HG2 LYS 8 -0.883 -6.794 4.037 65 HG3 LYS 8 HG3 LYS 8 0.359 -5.986 4.965 66 HD2 LYS 8 HD2 LYS 8 -1.147 -5.188 6.559 67 HD3 LYS 8 HD3 LYS 8 -2.537 -5.221 5.464 68 HE2 LYS 8 HE2 LYS 8 -1.120 -7.771 6.288 69 HE3 LYS 8 HE3 LYS 8 -2.382 -7.065 7.310 70 HZ1 LYS 8 HZ1 LYS 8 -3.014 -7.436 4.462 71 HZ2 LYS 8 HZ2 LYS 8 -2.866 -8.762 5.225 72 HZ3 LYS 8 HZ3 LYS 8 -3.998 -7.654 5.780 73 H ARG 9 H ARG 9 2.039 -3.879 1.565 74 HA ARG 9 HA ARG 9 3.804 -6.171 2.190 75 HB2 ARG 9 HB2 ARG 9 2.852 -6.155 -0.134 76 HB3 ARG 9 HB3 ARG 9 3.455 -4.522 -0.361 77 HG2 ARG 9 HG2 ARG 9 4.739 -6.107 -1.502 78 HG3 ARG 9 HG3 ARG 9 5.761 -5.342 -0.298 79 HD2 ARG 9 HD2 ARG 9 5.926 -7.252 1.034 80 HD3 ARG 9 HD3 ARG 9 4.497 -8.000 0.300 81 HE ARG 9 HE ARG 9 5.738 -8.766 -1.462 82 HH11 ARG 9 HH12 ARG 9 8.031 -6.571 0.297 83 HH12 ARG 9 HH11 ARG 9 9.319 -7.197 -0.653 84 HH21 ARG 9 HH21 ARG 9 7.507 -9.359 -2.594 85 HH22 ARG 9 HH22 ARG 9 9.063 -8.694 -2.212 86 H MET 10 H MET 10 6.139 -5.404 1.785 87 HA MET 10 HA MET 10 6.712 -2.603 2.343 88 HB2 MET 10 HB2 MET 10 6.210 -3.668 4.565 89 HB3 MET 10 HB3 MET 10 7.491 -4.846 4.254 90 HG2 MET 10 HG2 MET 10 9.118 -2.939 4.093 91 HG3 MET 10 HG3 MET 10 7.824 -1.829 4.545 92 HE1 MET 10 HE1 MET 10 7.221 -2.628 8.292 93 HE2 MET 10 HE2 MET 10 7.104 -1.384 7.032 94 HE3 MET 10 HE3 MET 10 6.235 -2.930 6.844 95 H PHE 11 H PHE 11 8.695 -2.061 1.606 96 HA PHE 11 HA PHE 11 10.281 -3.925 -0.006 97 HB2 PHE 11 HB2 PHE 11 10.378 -0.971 0.591 98 HB3 PHE 11 HB3 PHE 11 11.629 -1.772 -0.339 99 HD1 PHE 11 HD1 PHE 11 10.828 -3.265 -2.372 100 HD2 PHE 11 HD2 PHE 11 8.533 -0.029 -0.645 101 HE1 PHE 11 HE1 PHE 11 9.629 -2.954 -4.516 102 HE2 PHE 11 HE2 PHE 11 7.377 0.278 -2.809 103 HZ PHE 11 HZ PHE 11 7.925 -1.154 -4.739 104 H ALA 12 H ALA 12 12.671 -4.075 0.245 105 HA ALA 12 HA ALA 12 13.508 -4.832 2.822 106 HB1 ALA 12 HB1 ALA 12 14.379 -5.736 0.696 107 HB2 ALA 12 HB2 ALA 12 15.142 -4.167 0.334 108 HB3 ALA 12 HB3 ALA 12 15.690 -5.129 1.723 109 H ASN 13 H ASN 13 13.207 -1.632 1.764 110 HA ASN 13 HA ASN 13 15.258 -0.595 3.652 111 HB2 ASN 13 HB2 ASN 13 14.868 1.562 2.507 112 HB3 ASN 13 HB3 ASN 13 15.376 0.300 1.387 113 HD21 ASN 13 HD21 ASN 13 14.447 1.692 -0.341 114 H GLY 14 H GLY 14 12.092 -1.638 3.864 115 HA2 GLY 14 HA2 GLY 14 10.746 -1.369 5.741 116 HA3 GLY 14 HA3 GLY 14 11.505 0.172 6.125 117 H THR 15 H THR 15 10.445 -0.112 2.768 118 HA THR 15 HA THR 15 8.529 2.073 3.359 119 HB THR 15 HB THR 15 9.640 1.058 0.733 120 HG1 THR 15 HG1 THR 15 11.239 1.821 1.844 121 HG21 THR 15 HG21 THR 15 8.921 3.122 -0.257 122 HG22 THR 15 HG22 THR 15 7.501 2.371 0.479 123 HG23 THR 15 HG23 THR 15 8.304 3.726 1.303 124 H VAL 16 H VAL 16 6.349 1.754 3.374 125 HA VAL 16 HA VAL 16 5.374 -0.945 2.741 126 HB VAL 16 HB VAL 16 4.344 1.369 4.388 127 HG11 VAL 16 HG11 VAL 16 2.754 -1.144 3.696 128 HG12 VAL 16 HG12 VAL 16 2.359 0.002 4.992 129 HG13 VAL 16 HG13 VAL 16 2.299 0.534 3.314 130 HG21 VAL 16 HG21 VAL 16 4.430 -0.335 6.166 131 HG22 VAL 16 HG22 VAL 16 4.875 -1.577 4.974 132 HG23 VAL 16 HG23 VAL 16 5.996 -0.239 5.343 133 H TYR 17 H TYR 17 3.811 -1.478 1.377 134 HA TYR 17 HA TYR 17 2.355 0.448 -0.261 135 HB2 TYR 17 HB2 TYR 17 3.284 -0.281 -2.374 136 HB3 TYR 17 HB3 TYR 17 4.572 0.308 -1.363 137 HD1 TYR 17 HD1 TYR 17 6.040 -1.313 -0.136 138 HD2 TYR 17 HD2 TYR 17 3.401 -2.536 -3.294 139 HE1 TYR 17 HE1 TYR 17 7.566 -3.200 -0.680 140 HE2 TYR 17 HE2 TYR 17 4.892 -4.438 -3.827 141 HH TYR 17 HH TYR 17 7.029 -5.278 -3.525 142 H TYR 18 H TYR 18 1.236 -1.087 -2.109 143 HA TYR 18 HA TYR 18 0.405 -3.655 -0.854 144 HB2 TYR 18 HB2 TYR 18 -1.264 -1.706 -2.477 145 HB3 TYR 18 HB3 TYR 18 -1.782 -3.300 -1.910 146 HD1 TYR 18 HD1 TYR 18 -0.580 0.050 -0.786 147 HD2 TYR 18 HD2 TYR 18 -2.611 -3.589 0.337 148 HE1 TYR 18 HE1 TYR 18 -0.871 0.936 1.463 149 HE2 TYR 18 HE2 TYR 18 -3.107 -2.628 2.535 150 HH TYR 18 HH TYR 18 -2.595 -0.905 4.039 151 H PHE 19 H PHE 19 0.349 -5.427 -2.078 152 HA PHE 19 HA PHE 19 1.531 -5.253 -4.814 153 HB2 PHE 19 HB2 PHE 19 3.139 -5.808 -3.083 154 HB3 PHE 19 HB3 PHE 19 2.114 -7.076 -2.451 155 HD1 PHE 19 HD1 PHE 19 4.117 -6.009 -5.402 156 HD2 PHE 19 HD2 PHE 19 2.138 -9.313 -3.441 157 HE1 PHE 19 HE1 PHE 19 5.331 -7.578 -6.839 158 HE2 PHE 19 HE2 PHE 19 3.364 -10.898 -4.900 159 HZ PHE 19 HZ PHE 19 4.982 -10.052 -6.583 160 H ASN 20 H ASN 20 0.443 -6.282 -6.352 161 HA ASN 20 HA ASN 20 -1.882 -7.943 -5.691 162 HB2 ASN 20 HB2 ASN 20 -1.920 -6.200 -7.499 163 HB3 ASN 20 HB3 ASN 20 -0.751 -7.171 -8.381 164 HD21 ASN 20 HD22 ASN 20 -4.142 -6.926 -7.367 165 HD22 ASN 20 HD21 ASN 20 -4.636 -8.359 -8.262 166 H HIS 21 H HIS 21 -1.169 -9.851 -4.812 167 HA HIS 21 HA HIS 21 1.111 -11.273 -5.914 168 HB2 HIS 21 HB2 HIS 21 0.521 -12.950 -4.197 169 HB3 HIS 21 HB3 HIS 21 0.681 -11.327 -3.564 170 HD2 HIS 21 HD2 HIS 21 -2.117 -13.880 -4.411 171 HE1 HIS 21 HE1 HIS 21 -3.744 -10.950 -1.760 172 HE2 HIS 21 HE2 HIS 21 -4.208 -13.162 -2.966 173 H ILE 22 H ILE 22 -1.768 -10.871 -7.431 174 HA ILE 22 HA ILE 22 -1.827 -13.625 -8.556 175 HB ILE 22 HB ILE 22 -3.624 -11.285 -9.262 176 HG12 ILE 22 HG12 ILE 22 -3.963 -11.581 -6.891 177 HG13 ILE 22 HG13 ILE 22 -5.355 -12.139 -7.788 178 HG21 ILE 22 HG21 ILE 22 -3.707 -13.036 -10.907 179 HG22 ILE 22 HG22 ILE 22 -3.899 -14.284 -9.662 180 HG23 ILE 22 HG23 ILE 22 -5.193 -13.103 -9.964 181 HD11 ILE 22 HD11 ILE 22 -4.821 -13.606 -5.882 182 HD12 ILE 22 HD12 ILE 22 -4.706 -14.490 -7.414 183 HD13 ILE 22 HD13 ILE 22 -3.228 -13.963 -6.575 184 H THR 23 H THR 23 -0.601 -10.408 -9.171 185 HA THR 23 HA THR 23 0.133 -11.150 -11.991 186 HB THR 23 HB THR 23 -0.343 -8.816 -12.628 187 HG1 THR 23 HG1 THR 23 -1.524 -8.611 -10.070 188 HG21 THR 23 HG21 THR 23 -2.165 -10.471 -12.906 189 HG22 THR 23 HG22 THR 23 -2.785 -10.059 -11.296 190 HG23 THR 23 HG23 THR 23 -2.763 -8.833 -12.578 191 H ASN 24 H ASN 24 1.332 -9.889 -9.003 192 HA ASN 24 HA ASN 24 3.254 -9.059 -8.341 193 HB2 ASN 24 HB2 ASN 24 4.195 -10.628 -10.206 194 HB3 ASN 24 HB3 ASN 24 4.493 -9.141 -11.098 195 HD21 ASN 24 HD22 ASN 24 5.664 -7.404 -9.538 196 HD22 ASN 24 HD21 ASN 24 7.124 -8.125 -8.818 197 H ALA 25 H ALA 25 0.993 -7.389 -9.981 198 HA ALA 25 HA ALA 25 2.398 -4.903 -10.445 199 HB1 ALA 25 HB1 ALA 25 0.173 -3.914 -10.468 200 HB2 ALA 25 HB2 ALA 25 0.151 -5.440 -11.370 201 HB3 ALA 25 HB3 ALA 25 -0.530 -5.365 -9.731 202 H SER 26 H SER 26 2.277 -2.923 -9.071 203 HA SER 26 HA SER 26 1.853 -3.362 -6.177 204 HB2 SER 26 HB2 SER 26 4.061 -2.439 -5.644 205 HB3 SER 26 HB3 SER 26 4.194 -3.954 -6.522 206 HG SER 26 HG SER 26 4.173 -1.467 -7.880 207 H GLN 27 H GLN 27 1.088 -1.552 -5.131 208 HA GLN 27 HA GLN 27 1.376 1.115 -6.402 209 HB2 GLN 27 HB2 GLN 27 -0.938 1.648 -6.100 210 HB3 GLN 27 HB3 GLN 27 -0.857 0.162 -7.045 211 HG2 GLN 27 HG2 GLN 27 -1.405 -1.155 -4.979 212 HG3 GLN 27 HG3 GLN 27 -1.443 0.334 -4.053 213 HE21 GLN 27 HE22 GLN 27 -3.524 0.556 -3.415 214 HE22 GLN 27 HE21 GLN 27 -4.908 0.535 -4.524 215 H PHE 28 H PHE 28 1.494 2.862 -4.860 216 HA PHE 28 HA PHE 28 1.863 2.074 -2.050 217 HB2 PHE 28 HB2 PHE 28 2.020 4.756 -3.466 218 HB3 PHE 28 HB3 PHE 28 2.334 4.503 -1.751 219 HD1 PHE 28 HD2 PHE 28 4.088 2.649 -1.123 220 HD2 PHE 28 HD1 PHE 28 3.897 4.629 -4.952 221 HE1 PHE 28 HE2 PHE 28 6.430 2.025 -1.557 222 HE2 PHE 28 HE1 PHE 28 6.267 4.032 -5.366 223 HZ PHE 28 HZ PHE 28 7.551 2.744 -3.671 224 H GLU 29 H GLU 29 -0.848 2.998 -3.961 225 HA GLU 29 HA GLU 29 -2.367 4.377 -1.968 226 HB2 GLU 29 HB2 GLU 29 -2.945 4.709 -4.227 227 HB3 GLU 29 HB3 GLU 29 -2.986 2.989 -4.575 228 HG2 GLU 29 HG2 GLU 29 -5.215 3.857 -4.610 229 HG3 GLU 29 HG3 GLU 29 -5.060 2.733 -3.274 230 H ARG 30 H ARG 30 -3.951 3.724 -0.677 231 HA ARG 30 HA ARG 30 -3.783 0.945 0.363 232 HB2 ARG 30 HB2 ARG 30 -4.183 2.104 2.650 233 HB3 ARG 30 HB3 ARG 30 -2.613 2.138 1.900 234 HG2 ARG 30 HG2 ARG 30 -2.924 4.192 2.890 235 HG3 ARG 30 HG3 ARG 30 -2.926 4.456 1.165 236 HD2 ARG 30 HD2 ARG 30 -5.491 4.159 2.794 237 HD3 ARG 30 HD3 ARG 30 -4.628 5.694 2.727 238 HE ARG 30 HE ARG 30 -4.977 5.226 0.044 239 HH11 ARG 30 HH11 ARG 30 -7.415 4.645 2.402 240 HH12 ARG 30 HH12 ARG 30 -8.600 5.662 1.698 241 HH21 ARG 30 HH21 ARG 30 -6.595 5.823 -1.191 242 HH22 ARG 30 HH22 ARG 30 -8.190 6.173 -0.515 243 HA PRO 31 HA PRO 31 -8.216 0.394 0.595 244 HB2 PRO 31 HB2 PRO 31 -7.788 -0.251 3.509 245 HB3 PRO 31 HB3 PRO 31 -8.726 -1.155 2.281 246 HG2 PRO 31 HG2 PRO 31 -6.271 -2.013 3.020 247 HG3 PRO 31 HG3 PRO 31 -6.735 -2.009 1.286 248 HD2 PRO 31 HD2 PRO 31 -5.074 0.021 2.789 249 HD3 PRO 31 HD3 PRO 31 -4.780 -0.724 1.188 250 H SER 32 H SER 32 -10.157 0.902 2.030 251 HA SER 32 HA SER 32 -11.630 2.310 2.913 252 HB2 SER 32 HB2 SER 32 -9.298 3.359 4.532 253 HB3 SER 32 HB3 SER 32 -11.014 3.680 4.840 254 HG SER 32 HG SER 32 -10.229 1.893 6.048 255 H GLY 33 H GLY 33 -11.842 3.167 0.719 256 HA2 GLY 33 HA2 GLY 33 -12.434 5.079 -0.511 257 HA3 GLY 33 HA3 GLY 33 -11.526 6.107 0.608 258 H1 NAG 101 H1 NAG 34 11.634 0.817 -0.672 259 H2 NAG 101 H2 NAG 34 12.890 3.158 -2.193 260 H3 NAG 101 H3 NAG 34 10.160 1.764 -2.163 261 H4 NAG 101 H4 NAG 34 12.311 2.125 -4.290 262 H5 NAG 101 H5 NAG 34 11.334 -0.365 -2.850 263 H61 NAG 101 H61 NAG 34 13.045 -1.622 -3.903 264 H62 NAG 101 H62 NAG 34 12.292 -0.707 -5.214 265 H81 NAG 101 H2M NAG 34 10.057 5.612 0.653 266 H82 NAG 101 H3M NAG 34 11.209 6.856 0.116 267 H83 NAG 101 H1M NAG 34 11.750 5.556 1.199 268 HN2 NAG 101 H2N NAG 34 11.343 3.256 0.274 269 HO3 NAG 101 H3O NAG 34 10.765 4.338 -2.874 270 HO4 NAG 101 H4O NAG 34 9.991 2.074 -4.759 271 HO6 NAG 101 H6O NAG 34 14.544 0.207 -3.716 Start of MODEL 9 1 H1 LYS 1 H1 LYS 1 -8.211 2.783 -1.337 2 H2 LYS 1 H2 LYS 1 -7.220 2.101 -2.440 3 H3 LYS 1 H3 LYS 1 -7.107 1.666 -0.865 4 HA LYS 1 HA LYS 1 -9.332 0.641 -0.982 5 HB2 LYS 1 HB2 LYS 1 -9.029 1.467 -3.902 6 HB3 LYS 1 HB3 LYS 1 -10.301 0.405 -3.315 7 HG2 LYS 1 HG2 LYS 1 -11.470 2.065 -2.232 8 HG3 LYS 1 HG3 LYS 1 -10.082 3.077 -1.949 9 HD2 LYS 1 HD2 LYS 1 -11.517 2.716 -4.596 10 HD3 LYS 1 HD3 LYS 1 -11.592 4.126 -3.542 11 HE2 LYS 1 HE2 LYS 1 -9.114 3.153 -5.042 12 HE3 LYS 1 HE3 LYS 1 -10.146 4.502 -5.514 13 HZ1 LYS 1 HZ1 LYS 1 -8.068 5.120 -4.308 14 HZ2 LYS 1 HZ2 LYS 1 -9.436 5.649 -3.420 15 HZ3 LYS 1 HZ3 LYS 1 -8.603 4.404 -2.970 16 H LEU 2 H LEU 2 -9.614 -1.622 -2.445 17 HA LEU 2 HA LEU 2 -6.998 -2.483 -3.488 18 HB2 LEU 2 HB2 LEU 2 -8.546 -4.001 -1.361 19 HB3 LEU 2 HB3 LEU 2 -7.268 -4.699 -2.346 20 HG LEU 2 HG LEU 2 -6.901 -2.414 -0.371 21 HD11 LEU 2 HD11 LEU 2 -5.605 -4.190 0.887 22 HD12 LEU 2 HD12 LEU 2 -7.354 -4.499 0.784 23 HD13 LEU 2 HD13 LEU 2 -6.225 -5.379 -0.261 24 HD21 LEU 2 HD21 LEU 2 -4.564 -2.600 -0.717 25 HD22 LEU 2 HD22 LEU 2 -4.731 -4.048 -1.744 26 HD23 LEU 2 HD23 LEU 2 -5.226 -2.445 -2.327 27 HA PRO 3 HA PRO 3 -10.067 -4.270 -6.326 28 HB2 PRO 3 HB2 PRO 3 -7.680 -4.798 -8.027 29 HB3 PRO 3 HB3 PRO 3 -9.180 -3.928 -8.433 30 HG2 PRO 3 HG2 PRO 3 -6.796 -2.620 -8.046 31 HG3 PRO 3 HG3 PRO 3 -8.375 -1.907 -7.589 32 HD2 PRO 3 HD2 PRO 3 -6.346 -3.255 -5.806 33 HD3 PRO 3 HD3 PRO 3 -7.317 -1.784 -5.529 34 HA PRO 4 HA PRO 4 -9.545 -8.705 -5.802 35 HB2 PRO 4 HB2 PRO 4 -9.169 -8.986 -8.791 36 HB3 PRO 4 HB3 PRO 4 -10.165 -9.979 -7.680 37 HG2 PRO 4 HG2 PRO 4 -11.333 -8.056 -9.177 38 HG3 PRO 4 HG3 PRO 4 -11.776 -8.218 -7.444 39 HD2 PRO 4 HD2 PRO 4 -9.868 -6.254 -8.725 40 HD3 PRO 4 HD3 PRO 4 -11.117 -5.962 -7.475 41 H GLY 5 H GLY 5 -7.798 -9.563 -4.873 42 HA2 GLY 5 HA2 GLY 5 -5.867 -10.834 -4.834 43 HA3 GLY 5 HA3 GLY 5 -5.472 -10.317 -6.472 44 H TRP 6 H TRP 6 -6.006 -7.457 -4.682 45 HA TRP 6 HA TRP 6 -3.118 -7.000 -4.387 46 HB2 TRP 6 HB2 TRP 6 -5.563 -5.238 -4.118 47 HB3 TRP 6 HB3 TRP 6 -3.910 -4.710 -3.872 48 HD1 TRP 6 HD1 TRP 6 -6.159 -6.042 -6.680 49 HE1 TRP 6 HE1 TRP 6 -5.353 -5.105 -8.935 50 HE3 TRP 6 HE3 TRP 6 -1.829 -3.821 -5.121 51 HZ2 TRP 6 HZ2 TRP 6 -3.103 -3.633 -9.936 52 HZ3 TRP 6 HZ3 TRP 6 -0.342 -2.738 -6.761 53 HH2 TRP 6 HH2 TRP 6 -0.961 -2.615 -9.164 54 H GLU 7 H GLU 7 -2.036 -7.360 -2.507 55 HA GLU 7 HA GLU 7 -3.412 -6.722 0.015 56 HB2 GLU 7 HB2 GLU 7 -2.711 -8.900 1.037 57 HB3 GLU 7 HB3 GLU 7 -4.058 -8.889 -0.062 58 HG2 GLU 7 HG2 GLU 7 -3.023 -10.842 -0.625 59 HG3 GLU 7 HG3 GLU 7 -2.478 -9.769 -1.901 60 H LYS 8 H LYS 8 -2.019 -6.704 1.927 61 HA LYS 8 HA LYS 8 -0.126 -4.761 1.539 62 HB2 LYS 8 HB2 LYS 8 0.133 -4.643 3.816 63 HB3 LYS 8 HB3 LYS 8 -1.501 -5.213 3.593 64 HG2 LYS 8 HG2 LYS 8 0.875 -6.900 4.484 65 HG3 LYS 8 HG3 LYS 8 -0.347 -6.185 5.510 66 HD2 LYS 8 HD2 LYS 8 -1.069 -8.365 5.422 67 HD3 LYS 8 HD3 LYS 8 -2.085 -7.601 4.191 68 HE2 LYS 8 HE2 LYS 8 -0.454 -8.402 2.451 69 HE3 LYS 8 HE3 LYS 8 0.495 -9.177 3.702 70 HZ1 LYS 8 HZ1 LYS 8 -1.107 -10.520 2.362 71 HZ2 LYS 8 HZ2 LYS 8 -1.206 -10.762 4.010 72 HZ3 LYS 8 HZ3 LYS 8 -2.340 -9.855 3.208 73 H ARG 9 H ARG 9 2.031 -4.455 1.230 74 HA ARG 9 HA ARG 9 3.937 -6.645 1.706 75 HB2 ARG 9 HB2 ARG 9 2.776 -6.428 -0.668 76 HB3 ARG 9 HB3 ARG 9 3.680 -4.938 -0.790 77 HG2 ARG 9 HG2 ARG 9 5.062 -6.274 -1.828 78 HG3 ARG 9 HG3 ARG 9 5.757 -6.551 -0.239 79 HD2 ARG 9 HD2 ARG 9 4.212 -8.339 -2.079 80 HD3 ARG 9 HD3 ARG 9 5.655 -8.710 -1.139 81 HE ARG 9 HE ARG 9 3.976 -8.575 0.884 82 HH11 ARG 9 HH11 ARG 9 3.094 -10.049 -2.225 83 HH12 ARG 9 HH12 ARG 9 1.512 -10.470 -1.530 84 HH21 ARG 9 HH22 ARG 9 1.904 -9.051 1.414 85 HH22 ARG 9 HH21 ARG 9 1.017 -10.229 0.493 86 H MET 10 H MET 10 6.277 -5.663 1.391 87 HA MET 10 HA MET 10 6.434 -2.810 2.013 88 HB2 MET 10 HB2 MET 10 5.879 -4.058 4.174 89 HB3 MET 10 HB3 MET 10 7.424 -4.897 4.001 90 HG2 MET 10 HG2 MET 10 8.576 -2.667 4.040 91 HG3 MET 10 HG3 MET 10 7.012 -1.888 4.214 92 HE1 MET 10 HE1 MET 10 9.939 -3.747 5.832 93 HE2 MET 10 HE2 MET 10 9.324 -4.263 7.420 94 HE3 MET 10 HE3 MET 10 8.754 -5.071 5.944 95 H PHE 11 H PHE 11 8.375 -1.935 1.506 96 HA PHE 11 HA PHE 11 10.466 -3.588 0.238 97 HB2 PHE 11 HB2 PHE 11 10.215 -0.612 0.750 98 HB3 PHE 11 HB3 PHE 11 11.535 -1.361 -0.121 99 HD1 PHE 11 HD1 PHE 11 11.000 -2.809 -2.183 100 HD2 PHE 11 HD2 PHE 11 8.231 0.091 -0.527 101 HE1 PHE 11 HE1 PHE 11 9.820 -2.682 -4.357 102 HE2 PHE 11 HE2 PHE 11 7.106 0.213 -2.733 103 HZ PHE 11 HZ PHE 11 7.890 -1.145 -4.633 104 H ALA 12 H ALA 12 12.760 -3.436 0.916 105 HA ALA 12 HA ALA 12 13.325 -3.771 3.642 106 HB1 ALA 12 HB1 ALA 12 15.148 -2.834 1.381 107 HB2 ALA 12 HB2 ALA 12 15.672 -3.521 2.932 108 HB3 ALA 12 HB3 ALA 12 14.765 -4.526 1.787 109 H ASN 13 H ASN 13 13.030 -0.787 1.833 110 HA ASN 13 HA ASN 13 14.103 1.056 3.766 111 HB2 ASN 13 HB2 ASN 13 11.999 1.365 1.598 112 HB3 ASN 13 HB3 ASN 13 12.831 2.703 2.379 113 HD21 ASN 13 HD21 ASN 13 14.600 2.063 -0.826 114 H GLY 14 H GLY 14 11.984 -1.010 4.797 115 HA2 GLY 14 HA2 GLY 14 10.040 -1.163 5.977 116 HA3 GLY 14 HA3 GLY 14 10.504 0.387 6.697 117 H THR 15 H THR 15 9.651 -0.152 3.253 118 HA THR 15 HA THR 15 7.666 2.067 3.537 119 HB THR 15 HB THR 15 9.215 1.148 1.121 120 HG1 THR 15 HG1 THR 15 10.198 2.410 3.079 121 HG21 THR 15 HG21 THR 15 7.525 3.643 1.523 122 HG22 THR 15 HG22 THR 15 8.444 3.196 0.067 123 HG23 THR 15 HG23 THR 15 7.039 2.234 0.554 124 H VAL 16 H VAL 16 5.626 1.364 3.696 125 HA VAL 16 HA VAL 16 4.942 -1.323 2.735 126 HB VAL 16 HB VAL 16 3.598 0.673 4.580 127 HG11 VAL 16 HG11 VAL 16 1.843 -1.052 5.001 128 HG12 VAL 16 HG12 VAL 16 1.719 -0.367 3.384 129 HG13 VAL 16 HG13 VAL 16 2.434 -1.980 3.609 130 HG21 VAL 16 HG21 VAL 16 5.442 -0.752 5.478 131 HG22 VAL 16 HG22 VAL 16 3.886 -1.160 6.209 132 HG23 VAL 16 HG23 VAL 16 4.552 -2.203 4.936 133 H TYR 17 H TYR 17 3.626 -1.844 1.186 134 HA TYR 17 HA TYR 17 1.965 0.117 -0.261 135 HB2 TYR 17 HB2 TYR 17 2.997 -0.458 -2.394 136 HB3 TYR 17 HB3 TYR 17 4.222 0.173 -1.313 137 HD1 TYR 17 HD1 TYR 17 5.899 -1.235 -0.310 138 HD2 TYR 17 HD2 TYR 17 3.150 -2.827 -3.230 139 HE1 TYR 17 HE1 TYR 17 7.501 -3.048 -0.825 140 HE2 TYR 17 HE2 TYR 17 4.737 -4.669 -3.706 141 HH TYR 17 HH TYR 17 7.979 -4.801 -2.234 142 H TYR 18 H TYR 18 0.758 -1.227 -2.072 143 HA TYR 18 HA TYR 18 0.101 -3.938 -1.006 144 HB2 TYR 18 HB2 TYR 18 -1.691 -1.846 -2.255 145 HB3 TYR 18 HB3 TYR 18 -2.155 -3.535 -1.999 146 HD1 TYR 18 HD2 TYR 18 -0.842 -0.520 -0.215 147 HD2 TYR 18 HD1 TYR 18 -2.864 -4.294 0.171 148 HE1 TYR 18 HE2 TYR 18 -0.847 -0.239 2.191 149 HE2 TYR 18 HE1 TYR 18 -3.118 -3.895 2.623 150 HH TYR 18 HH TYR 18 -1.500 -1.187 4.264 151 H PHE 19 H PHE 19 0.111 -5.638 -2.217 152 HA PHE 19 HA PHE 19 1.265 -5.409 -4.950 153 HB2 PHE 19 HB2 PHE 19 2.843 -6.003 -3.212 154 HB3 PHE 19 HB3 PHE 19 1.781 -7.236 -2.582 155 HD1 PHE 19 HD1 PHE 19 1.390 -9.397 -3.884 156 HD2 PHE 19 HD2 PHE 19 4.304 -6.425 -5.059 157 HE1 PHE 19 HE1 PHE 19 2.690 -11.122 -5.094 158 HE2 PHE 19 HE2 PHE 19 5.563 -8.115 -6.271 159 HZ PHE 19 HZ PHE 19 4.787 -10.512 -6.278 160 H ASN 20 H ASN 20 0.308 -6.526 -6.534 161 HA ASN 20 HA ASN 20 -2.126 -8.040 -5.948 162 HB2 ASN 20 HB2 ASN 20 -2.016 -6.374 -7.788 163 HB3 ASN 20 HB3 ASN 20 -0.821 -7.383 -8.588 164 HD21 ASN 20 HD22 ASN 20 -4.205 -7.115 -7.606 165 HD22 ASN 20 HD21 ASN 20 -4.806 -8.505 -8.457 166 H HIS 21 H HIS 21 -1.720 -10.073 -5.132 167 HA HIS 21 HA HIS 21 0.643 -11.541 -5.888 168 HB2 HIS 21 HB2 HIS 21 -0.040 -13.159 -4.361 169 HB3 HIS 21 HB3 HIS 21 -0.565 -11.639 -3.680 170 HD2 HIS 21 HD2 HIS 21 -2.017 -14.734 -5.535 171 HE1 HIS 21 HE1 HIS 21 -5.196 -12.970 -3.305 172 HE2 HIS 21 HE2 HIS 21 -4.534 -14.951 -4.780 173 H ILE 22 H ILE 22 -2.084 -11.077 -7.783 174 HA ILE 22 HA ILE 22 -1.989 -13.768 -9.028 175 HB ILE 22 HB ILE 22 -3.798 -11.384 -9.601 176 HG12 ILE 22 HG12 ILE 22 -4.356 -13.883 -7.935 177 HG13 ILE 22 HG13 ILE 22 -4.126 -12.261 -7.288 178 HG21 ILE 22 HG21 ILE 22 -3.635 -12.904 -11.533 179 HG22 ILE 22 HG22 ILE 22 -4.001 -14.294 -10.489 180 HG23 ILE 22 HG23 ILE 22 -5.214 -13.031 -10.803 181 HD11 ILE 22 HD11 ILE 22 -6.466 -13.195 -8.962 182 HD12 ILE 22 HD12 ILE 22 -6.451 -12.653 -7.282 183 HD13 ILE 22 HD13 ILE 22 -6.136 -11.485 -8.581 184 H THR 23 H THR 23 -0.672 -10.576 -9.412 185 HA THR 23 HA THR 23 0.301 -11.220 -12.186 186 HB THR 23 HB THR 23 -0.055 -8.848 -12.758 187 HG1 THR 23 HG1 THR 23 -1.479 -8.715 -10.324 188 HG21 THR 23 HG21 THR 23 -1.885 -10.437 -13.276 189 HG22 THR 23 HG22 THR 23 -2.639 -10.080 -11.709 190 HG23 THR 23 HG23 THR 23 -2.473 -8.799 -12.928 191 H ASN 24 H ASN 24 1.272 -10.145 -9.039 192 HA ASN 24 HA ASN 24 3.148 -9.362 -8.192 193 HB2 ASN 24 HB2 ASN 24 4.182 -10.978 -9.963 194 HB3 ASN 24 HB3 ASN 24 4.616 -9.511 -10.835 195 HD21 ASN 24 HD22 ASN 24 5.711 -7.807 -9.153 196 HD22 ASN 24 HD21 ASN 24 7.087 -8.588 -8.336 197 H ALA 25 H ALA 25 1.106 -7.598 -9.988 198 HA ALA 25 HA ALA 25 2.654 -5.181 -10.363 199 HB1 ALA 25 HB1 ALA 25 0.481 -4.099 -10.546 200 HB2 ALA 25 HB2 ALA 25 0.453 -5.631 -11.438 201 HB3 ALA 25 HB3 ALA 25 -0.332 -5.515 -9.848 202 H SER 26 H SER 26 2.573 -3.214 -8.978 203 HA SER 26 HA SER 26 1.920 -3.616 -6.116 204 HB2 SER 26 HB2 SER 26 4.201 -2.902 -5.465 205 HB3 SER 26 HB3 SER 26 4.209 -4.444 -6.300 206 HG SER 26 HG SER 26 4.558 -1.970 -7.655 207 H GLN 27 H GLN 27 1.130 -1.754 -5.198 208 HA GLN 27 HA GLN 27 1.852 0.887 -6.345 209 HB2 GLN 27 HB2 GLN 27 -0.968 -0.248 -6.082 210 HB3 GLN 27 HB3 GLN 27 -0.641 1.475 -6.228 211 HG2 GLN 27 HG2 GLN 27 0.131 -0.591 -8.328 212 HG3 GLN 27 HG3 GLN 27 -1.295 0.437 -8.375 213 HE21 GLN 27 HE22 GLN 27 2.284 0.426 -8.661 214 HE22 GLN 27 HE21 GLN 27 2.298 2.041 -9.397 215 H PHE 28 H PHE 28 1.493 2.655 -5.012 216 HA PHE 28 HA PHE 28 1.738 2.046 -2.176 217 HB2 PHE 28 HB2 PHE 28 1.931 4.628 -3.764 218 HB3 PHE 28 HB3 PHE 28 2.248 4.489 -2.039 219 HD1 PHE 28 HD2 PHE 28 3.996 2.710 -1.264 220 HD2 PHE 28 HD1 PHE 28 3.740 4.265 -5.281 221 HE1 PHE 28 HE2 PHE 28 6.352 2.095 -1.651 222 HE2 PHE 28 HE1 PHE 28 6.109 3.614 -5.673 223 HZ PHE 28 HZ PHE 28 7.419 2.538 -3.854 224 H GLU 29 H GLU 29 -1.046 2.647 -4.045 225 HA GLU 29 HA GLU 29 -2.486 4.220 -2.078 226 HB2 GLU 29 HB2 GLU 29 -3.184 3.723 -4.560 227 HB3 GLU 29 HB3 GLU 29 -3.845 2.217 -3.896 228 HG2 GLU 29 HG2 GLU 29 -5.057 3.718 -2.160 229 HG3 GLU 29 HG3 GLU 29 -4.530 5.092 -3.116 230 H ARG 30 H ARG 30 -4.010 3.410 -0.491 231 HA ARG 30 HA ARG 30 -3.409 0.686 0.512 232 HB2 ARG 30 HB2 ARG 30 -3.416 3.178 2.272 233 HB3 ARG 30 HB3 ARG 30 -2.979 1.526 2.732 234 HG2 ARG 30 HG2 ARG 30 -1.121 1.697 0.932 235 HG3 ARG 30 HG3 ARG 30 -1.477 3.425 0.910 236 HD2 ARG 30 HD2 ARG 30 -0.840 3.630 3.267 237 HD3 ARG 30 HD3 ARG 30 -0.590 1.884 3.370 238 HE ARG 30 HE ARG 30 1.463 2.090 2.259 239 HH11 ARG 30 HH11 ARG 30 -0.207 5.125 1.775 240 HH12 ARG 30 HH12 ARG 30 1.146 5.829 0.935 241 HH21 ARG 30 HH21 ARG 30 3.086 2.962 1.260 242 HH22 ARG 30 HH22 ARG 30 3.066 4.643 0.724 243 HA PRO 31 HA PRO 31 -7.556 -0.017 0.950 244 HB2 PRO 31 HB2 PRO 31 -7.349 -0.401 3.944 245 HB3 PRO 31 HB3 PRO 31 -8.172 -1.450 2.747 246 HG2 PRO 31 HG2 PRO 31 -5.694 -2.104 3.647 247 HG3 PRO 31 HG3 PRO 31 -6.088 -2.243 1.907 248 HD2 PRO 31 HD2 PRO 31 -4.533 -0.083 3.302 249 HD3 PRO 31 HD3 PRO 31 -4.249 -0.862 1.713 250 H SER 32 H SER 32 -6.545 2.217 3.086 251 HA SER 32 HA SER 32 -9.000 3.237 4.219 252 HB2 SER 32 HB2 SER 32 -7.488 4.885 5.317 253 HB3 SER 32 HB3 SER 32 -6.919 3.217 5.463 254 HG SER 32 HG SER 32 -5.936 5.278 3.810 255 H GLY 33 H GLY 33 -7.892 3.945 1.065 256 HA2 GLY 33 HA2 GLY 33 -9.632 6.299 0.932 257 HA3 GLY 33 HA3 GLY 33 -7.919 6.633 0.662 258 H1 NAG 101 H1 NAG 34 11.877 1.109 -0.393 259 H2 NAG 101 H2 NAG 34 12.492 3.753 -1.817 260 H3 NAG 101 H3 NAG 34 9.919 2.104 -1.753 261 H4 NAG 101 H4 NAG 34 11.867 2.794 -4.003 262 H5 NAG 101 H5 NAG 34 11.116 0.163 -2.672 263 H61 NAG 101 H61 NAG 34 12.733 -0.964 -4.024 264 H62 NAG 101 H62 NAG 34 11.721 -0.058 -5.153 265 H81 NAG 101 H2M NAG 34 10.887 6.792 1.229 266 H82 NAG 101 H3M NAG 34 11.335 5.285 2.053 267 H83 NAG 101 H1M NAG 34 9.661 5.535 1.500 268 HN2 NAG 101 H2N NAG 34 11.054 3.236 0.724 269 HO3 NAG 101 H3O NAG 34 10.302 4.758 -2.166 270 HO4 NAG 101 H4O NAG 34 9.548 2.723 -4.318 271 HO6 NAG 101 H6O NAG 34 14.145 0.928 -4.007 Start of MODEL 10 1 H1 LYS 1 H1 LYS 1 -12.973 -0.818 -4.227 2 H2 LYS 1 H2 LYS 1 -13.068 0.822 -4.123 3 H3 LYS 1 H3 LYS 1 -12.041 -0.017 -3.163 4 HA LYS 1 HA LYS 1 -11.864 0.207 -6.109 5 HB2 LYS 1 HB2 LYS 1 -11.274 2.314 -5.026 6 HB3 LYS 1 HB3 LYS 1 -10.120 1.489 -3.967 7 HG2 LYS 1 HG2 LYS 1 -8.743 0.846 -5.893 8 HG3 LYS 1 HG3 LYS 1 -9.935 1.525 -7.018 9 HD2 LYS 1 HD2 LYS 1 -9.488 3.781 -6.208 10 HD3 LYS 1 HD3 LYS 1 -8.450 3.152 -4.908 11 HE2 LYS 1 HE2 LYS 1 -6.901 2.207 -6.567 12 HE3 LYS 1 HE3 LYS 1 -7.891 2.831 -7.898 13 HZ1 LYS 1 HZ1 LYS 1 -7.276 5.048 -7.296 14 HZ2 LYS 1 HZ2 LYS 1 -6.780 4.574 -5.777 15 HZ3 LYS 1 HZ3 LYS 1 -5.857 4.198 -6.962 16 H LEU 2 H LEU 2 -10.013 -0.917 -3.190 17 HA LEU 2 HA LEU 2 -7.970 -2.139 -4.624 18 HB2 LEU 2 HB2 LEU 2 -8.053 -1.438 -2.230 19 HB3 LEU 2 HB3 LEU 2 -9.137 -2.783 -1.891 20 HG LEU 2 HG LEU 2 -7.310 -4.365 -2.592 21 HD11 LEU 2 HD11 LEU 2 -5.005 -3.522 -2.730 22 HD12 LEU 2 HD12 LEU 2 -5.963 -2.798 -4.010 23 HD13 LEU 2 HD13 LEU 2 -5.567 -1.848 -2.568 24 HD21 LEU 2 HD21 LEU 2 -6.667 -2.393 -0.345 25 HD22 LEU 2 HD22 LEU 2 -7.728 -3.814 -0.229 26 HD23 LEU 2 HD23 LEU 2 -6.000 -4.033 -0.505 27 HA PRO 3 HA PRO 3 -10.383 -5.740 -5.956 28 HB2 PRO 3 HB2 PRO 3 -8.832 -6.622 -8.004 29 HB3 PRO 3 HB3 PRO 3 -9.648 -5.027 -8.069 30 HG2 PRO 3 HG2 PRO 3 -6.812 -5.649 -7.214 31 HG3 PRO 3 HG3 PRO 3 -7.340 -4.454 -8.450 32 HD2 PRO 3 HD2 PRO 3 -6.820 -3.750 -5.861 33 HD3 PRO 3 HD3 PRO 3 -8.122 -2.968 -6.806 34 HA PRO 4 HA PRO 4 -8.933 -9.298 -3.897 35 HB2 PRO 4 HB2 PRO 4 -9.331 -11.441 -5.650 36 HB3 PRO 4 HB3 PRO 4 -10.582 -10.644 -4.650 37 HG2 PRO 4 HG2 PRO 4 -9.875 -10.108 -7.545 38 HG3 PRO 4 HG3 PRO 4 -11.503 -10.298 -6.814 39 HD2 PRO 4 HD2 PRO 4 -10.517 -7.856 -7.315 40 HD3 PRO 4 HD3 PRO 4 -11.377 -8.155 -5.780 41 H GLY 5 H GLY 5 -7.157 -10.396 -3.402 42 HA2 GLY 5 HA2 GLY 5 -5.013 -11.285 -3.565 43 HA3 GLY 5 HA3 GLY 5 -4.975 -10.909 -5.291 44 H TRP 6 H TRP 6 -5.895 -7.956 -4.391 45 HA TRP 6 HA TRP 6 -3.135 -6.989 -4.145 46 HB2 TRP 6 HB2 TRP 6 -5.039 -6.254 -5.825 47 HB3 TRP 6 HB3 TRP 6 -5.504 -5.210 -4.510 48 HD1 TRP 6 HD1 TRP 6 -2.466 -4.467 -3.628 49 HE1 TRP 6 HE1 TRP 6 -1.053 -2.878 -5.094 50 HE3 TRP 6 HE3 TRP 6 -4.901 -5.064 -8.094 51 HZ2 TRP 6 HZ2 TRP 6 -1.210 -1.766 -7.757 52 HZ3 TRP 6 HZ3 TRP 6 -4.265 -3.716 -10.060 53 HH2 TRP 6 HH2 TRP 6 -2.436 -2.045 -9.896 54 H GLU 7 H GLU 7 -2.293 -6.692 -2.166 55 HA GLU 7 HA GLU 7 -3.910 -5.236 -0.185 56 HB2 GLU 7 HB2 GLU 7 -3.509 -8.135 -0.040 57 HB3 GLU 7 HB3 GLU 7 -2.765 -7.362 1.345 58 HG2 GLU 7 HG2 GLU 7 -5.656 -6.896 0.487 59 HG3 GLU 7 HG3 GLU 7 -5.135 -8.069 1.692 60 H LYS 8 H LYS 8 -2.719 -4.642 1.767 61 HA LYS 8 HA LYS 8 -0.410 -3.242 1.186 62 HB2 LYS 8 HB2 LYS 8 -0.103 -2.656 3.400 63 HB3 LYS 8 HB3 LYS 8 -1.822 -2.748 3.129 64 HG2 LYS 8 HG2 LYS 8 -0.312 -5.046 4.444 65 HG3 LYS 8 HG3 LYS 8 -0.769 -3.620 5.359 66 HD2 LYS 8 HD2 LYS 8 -2.742 -5.337 3.836 67 HD3 LYS 8 HD3 LYS 8 -2.383 -5.537 5.544 68 HE2 LYS 8 HE2 LYS 8 -3.520 -3.676 6.209 69 HE3 LYS 8 HE3 LYS 8 -3.069 -2.741 4.778 70 HZ1 LYS 8 HZ1 LYS 8 -4.683 -3.944 3.489 71 HZ2 LYS 8 HZ2 LYS 8 -5.067 -4.930 4.609 72 HZ3 LYS 8 HZ3 LYS 8 -5.477 -3.307 4.815 73 H ARG 9 H ARG 9 1.766 -3.296 1.456 74 HA ARG 9 HA ARG 9 3.170 -5.796 2.076 75 HB2 ARG 9 HB2 ARG 9 2.239 -5.033 -0.424 76 HB3 ARG 9 HB3 ARG 9 3.679 -4.065 -0.349 77 HG2 ARG 9 HG2 ARG 9 4.026 -6.118 -1.471 78 HG3 ARG 9 HG3 ARG 9 5.041 -6.081 -0.029 79 HD2 ARG 9 HD2 ARG 9 3.850 -8.264 -0.717 80 HD3 ARG 9 HD3 ARG 9 3.869 -7.799 0.997 81 HE ARG 9 HE ARG 9 1.511 -6.849 0.561 82 HH11 ARG 9 HH21 ARG 9 2.499 -10.008 -0.573 83 HH12 ARG 9 HH22 ARG 9 0.835 -10.369 -1.058 84 HH21 ARG 9 HH11 ARG 9 -0.396 -7.266 -0.518 85 HH22 ARG 9 HH12 ARG 9 -0.682 -8.926 -1.055 86 H MET 10 H MET 10 5.642 -5.302 2.028 87 HA MET 10 HA MET 10 6.351 -2.491 2.412 88 HB2 MET 10 HB2 MET 10 5.473 -3.240 4.636 89 HB3 MET 10 HB3 MET 10 6.716 -4.495 4.676 90 HG2 MET 10 HG2 MET 10 8.481 -2.774 4.621 91 HG3 MET 10 HG3 MET 10 7.271 -1.512 4.399 92 HE1 MET 10 HE1 MET 10 7.387 -4.637 6.928 93 HE2 MET 10 HE2 MET 10 9.036 -3.971 6.825 94 HE3 MET 10 HE3 MET 10 8.102 -3.813 8.330 95 H PHE 11 H PHE 11 8.245 -2.107 1.589 96 HA PHE 11 HA PHE 11 10.206 -4.140 0.853 97 HB2 PHE 11 HB2 PHE 11 10.181 -1.097 0.784 98 HB3 PHE 11 HB3 PHE 11 11.483 -2.107 0.186 99 HD1 PHE 11 HD2 PHE 11 10.960 -3.884 -1.618 100 HD2 PHE 11 HD1 PHE 11 8.452 -0.457 -0.778 101 HE1 PHE 11 HE2 PHE 11 9.964 -4.065 -3.872 102 HE2 PHE 11 HE1 PHE 11 7.485 -0.663 -3.067 103 HZ PHE 11 HZ PHE 11 8.240 -2.430 -4.603 104 H ALA 12 H ALA 12 11.892 -4.791 2.146 105 HA ALA 12 HA ALA 12 11.995 -4.207 4.874 106 HB1 ALA 12 HB1 ALA 12 12.815 -6.277 3.822 107 HB2 ALA 12 HB2 ALA 12 14.147 -5.375 3.057 108 HB3 ALA 12 HB3 ALA 12 14.072 -5.532 4.825 109 H ASN 13 H ASN 13 13.705 -2.516 2.246 110 HA ASN 13 HA ASN 13 15.409 -0.956 3.987 111 HB2 ASN 13 HB2 ASN 13 15.791 0.346 1.865 112 HB3 ASN 13 HB3 ASN 13 16.169 -1.366 1.771 113 HD21 ASN 13 HD21 ASN 13 14.713 1.123 0.075 114 H GLY 14 H GLY 14 12.126 -0.948 3.983 115 HA2 GLY 14 HA2 GLY 14 10.977 0.428 5.439 116 HA3 GLY 14 HA3 GLY 14 12.140 1.730 5.197 117 H THR 15 H THR 15 9.725 -0.120 3.134 118 HA THR 15 HA THR 15 8.307 2.431 2.735 119 HB THR 15 HB THR 15 9.651 1.088 0.385 120 HG1 THR 15 HG1 THR 15 10.317 3.016 2.011 121 HG21 THR 15 HG21 THR 15 8.616 2.857 -0.980 122 HG22 THR 15 HG22 THR 15 7.360 1.790 -0.312 123 HG23 THR 15 HG23 THR 15 7.657 3.396 0.409 124 H VAL 16 H VAL 16 6.224 2.061 2.967 125 HA VAL 16 HA VAL 16 5.143 -0.662 2.548 126 HB VAL 16 HB VAL 16 4.148 1.816 3.988 127 HG11 VAL 16 HG11 VAL 16 2.125 0.879 2.943 128 HG12 VAL 16 HG12 VAL 16 2.563 -0.748 3.510 129 HG13 VAL 16 HG13 VAL 16 2.137 0.525 4.668 130 HG21 VAL 16 HG21 VAL 16 4.628 -1.054 4.898 131 HG22 VAL 16 HG22 VAL 16 5.757 0.296 5.164 132 HG23 VAL 16 HG23 VAL 16 4.165 0.308 5.935 133 H TYR 17 H TYR 17 3.588 -1.147 1.090 134 HA TYR 17 HA TYR 17 2.363 0.860 -0.686 135 HB2 TYR 17 HB2 TYR 17 3.312 -0.170 -2.704 136 HB3 TYR 17 HB3 TYR 17 4.596 0.427 -1.681 137 HD1 TYR 17 HD1 TYR 17 5.906 -1.144 -0.266 138 HD2 TYR 17 HD2 TYR 17 3.280 -2.518 -3.392 139 HE1 TYR 17 HE1 TYR 17 7.144 -3.331 -0.364 140 HE2 TYR 17 HE2 TYR 17 4.645 -4.631 -3.569 141 HH TYR 17 HH TYR 17 6.541 -5.715 -2.893 142 H TYR 18 H TYR 18 0.808 -0.415 -2.232 143 HA TYR 18 HA TYR 18 -0.066 -3.014 -1.078 144 HB2 TYR 18 HB2 TYR 18 -1.401 -0.878 -2.768 145 HB3 TYR 18 HB3 TYR 18 -2.064 -2.505 -2.666 146 HD1 TYR 18 HD1 TYR 18 -0.731 0.150 -0.363 147 HD2 TYR 18 HD2 TYR 18 -3.658 -2.958 -1.007 148 HE1 TYR 18 HE1 TYR 18 -1.504 0.464 1.840 149 HE2 TYR 18 HE2 TYR 18 -4.647 -2.456 1.211 150 HH TYR 18 HH TYR 18 -4.603 -0.223 2.713 151 H PHE 19 H PHE 19 -0.039 -4.918 -2.105 152 HA PHE 19 HA PHE 19 0.999 -4.997 -4.912 153 HB2 PHE 19 HB2 PHE 19 2.705 -5.387 -3.178 154 HB3 PHE 19 HB3 PHE 19 1.748 -6.686 -2.510 155 HD1 PHE 19 HD2 PHE 19 3.450 -5.622 -5.685 156 HD2 PHE 19 HD1 PHE 19 2.083 -8.916 -3.273 157 HE1 PHE 19 HE2 PHE 19 4.667 -7.199 -7.154 158 HE2 PHE 19 HE1 PHE 19 3.331 -10.494 -4.732 159 HZ PHE 19 HZ PHE 19 4.612 -9.644 -6.674 160 H ASN 20 H ASN 20 0.030 -6.409 -6.263 161 HA ASN 20 HA ASN 20 -2.058 -8.214 -5.217 162 HB2 ASN 20 HB2 ASN 20 -2.547 -6.720 -7.171 163 HB3 ASN 20 HB3 ASN 20 -1.379 -7.659 -8.098 164 HD21 ASN 20 HD21 ASN 20 -4.660 -7.467 -7.171 165 HD22 ASN 20 HD22 ASN 20 -5.128 -9.120 -7.416 166 H HIS 21 H HIS 21 -1.143 -9.921 -4.257 167 HA HIS 21 HA HIS 21 1.198 -11.222 -5.437 168 HB2 HIS 21 HB2 HIS 21 0.945 -12.781 -3.480 169 HB3 HIS 21 HB3 HIS 21 1.193 -11.094 -3.112 170 HD2 HIS 21 HD2 HIS 21 -1.869 -13.502 -3.401 171 HE1 HIS 21 HE1 HIS 21 -2.670 -10.675 -0.306 172 HE2 HIS 21 HE2 HIS 21 -3.555 -12.732 -1.519 173 H ILE 22 H ILE 22 -1.339 -11.179 -7.041 174 HA ILE 22 HA ILE 22 -1.174 -14.057 -7.799 175 HB ILE 22 HB ILE 22 -3.611 -12.297 -8.251 176 HG12 ILE 22 HG12 ILE 22 -3.216 -14.449 -6.121 177 HG13 ILE 22 HG13 ILE 22 -3.372 -12.719 -5.820 178 HG21 ILE 22 HG21 ILE 22 -3.225 -14.130 -9.901 179 HG22 ILE 22 HG22 ILE 22 -3.190 -15.301 -8.568 180 HG23 ILE 22 HG23 ILE 22 -4.674 -14.397 -8.951 181 HD11 ILE 22 HD11 ILE 22 -5.549 -14.552 -6.862 182 HD12 ILE 22 HD12 ILE 22 -5.474 -13.698 -5.316 183 HD13 ILE 22 HD13 ILE 22 -5.674 -12.775 -6.819 184 H THR 23 H THR 23 -1.581 -10.638 -8.941 185 HA THR 23 HA THR 23 -0.630 -11.461 -11.632 186 HB THR 23 HB THR 23 -1.284 -9.274 -12.368 187 HG1 THR 23 HG1 THR 23 -2.287 -7.879 -10.812 188 HG21 THR 23 HG21 THR 23 -3.667 -9.293 -11.969 189 HG22 THR 23 HG22 THR 23 -3.106 -10.970 -12.090 190 HG23 THR 23 HG23 THR 23 -3.475 -10.271 -10.498 191 H ASN 24 H ASN 24 0.650 -9.878 -8.801 192 HA ASN 24 HA ASN 24 2.610 -9.090 -8.236 193 HB2 ASN 24 HB2 ASN 24 3.690 -9.248 -11.065 194 HB3 ASN 24 HB3 ASN 24 4.592 -9.018 -9.578 195 HD21 ASN 24 HD22 ASN 24 2.844 -11.344 -11.530 196 HD22 ASN 24 HD21 ASN 24 3.498 -12.766 -10.690 197 H ALA 25 H ALA 25 0.288 -7.529 -9.836 198 HA ALA 25 HA ALA 25 1.518 -5.034 -10.518 199 HB1 ALA 25 HB1 ALA 25 -0.774 -5.717 -11.183 200 HB2 ALA 25 HB2 ALA 25 -1.296 -5.589 -9.484 201 HB3 ALA 25 HB3 ALA 25 -0.753 -4.146 -10.365 202 H SER 26 H SER 26 1.506 -2.973 -9.295 203 HA SER 26 HA SER 26 1.383 -3.194 -6.370 204 HB2 SER 26 HB2 SER 26 3.594 -2.107 -6.125 205 HB3 SER 26 HB3 SER 26 3.676 -3.759 -6.737 206 HG SER 26 HG SER 26 4.041 -2.962 -8.790 207 H GLN 27 H GLN 27 1.108 -1.230 -5.278 208 HA GLN 27 HA GLN 27 1.043 1.255 -6.867 209 HB2 GLN 27 HB2 GLN 27 -1.339 -0.124 -5.982 210 HB3 GLN 27 HB3 GLN 27 -1.170 1.294 -4.972 211 HG2 GLN 27 HG2 GLN 27 -1.202 1.296 -8.020 212 HG3 GLN 27 HG3 GLN 27 -2.559 1.689 -6.971 213 HE21 GLN 27 HE22 GLN 27 -2.917 4.011 -6.707 214 HE22 GLN 27 HE21 GLN 27 -1.552 5.074 -7.000 215 H PHE 28 H PHE 28 1.755 3.019 -5.770 216 HA PHE 28 HA PHE 28 2.697 2.655 -2.980 217 HB2 PHE 28 HB2 PHE 28 3.319 4.742 -5.077 218 HB3 PHE 28 HB3 PHE 28 3.818 4.891 -3.391 219 HD1 PHE 28 HD2 PHE 28 5.050 2.841 -2.302 220 HD2 PHE 28 HD1 PHE 28 4.724 3.490 -6.556 221 HE1 PHE 28 HE2 PHE 28 7.012 1.419 -2.657 222 HE2 PHE 28 HE1 PHE 28 6.700 2.027 -6.918 223 HZ PHE 28 HZ PHE 28 7.857 0.990 -4.977 224 H GLU 29 H GLU 29 -0.101 3.303 -4.184 225 HA GLU 29 HA GLU 29 -1.110 5.435 -2.405 226 HB2 GLU 29 HB2 GLU 29 -2.051 5.152 -4.605 227 HB3 GLU 29 HB3 GLU 29 -2.280 3.406 -4.347 228 HG2 GLU 29 HG2 GLU 29 -4.038 3.905 -2.680 229 HG3 GLU 29 HG3 GLU 29 -3.813 5.635 -2.978 230 H ARG 30 H ARG 30 -2.605 4.857 -0.597 231 HA ARG 30 HA ARG 30 -2.396 2.028 0.313 232 HB2 ARG 30 HB2 ARG 30 -1.834 4.481 1.994 233 HB3 ARG 30 HB3 ARG 30 -2.006 2.834 2.627 234 HG2 ARG 30 HG2 ARG 30 -0.041 2.067 1.421 235 HG3 ARG 30 HG3 ARG 30 0.019 3.538 0.482 236 HD2 ARG 30 HD2 ARG 30 0.406 4.759 2.761 237 HD3 ARG 30 HD3 ARG 30 0.804 3.146 3.367 238 HE ARG 30 HE ARG 30 2.763 3.136 2.019 239 HH11 ARG 30 HH11 ARG 30 0.834 5.884 1.006 240 HH12 ARG 30 HH12 ARG 30 1.665 5.849 -0.538 241 HH21 ARG 30 HH21 ARG 30 3.975 3.560 0.317 242 HH22 ARG 30 HH22 ARG 30 3.660 4.986 -0.690 243 HA PRO 31 HA PRO 31 -6.784 3.163 0.779 244 HB2 PRO 31 HB2 PRO 31 -7.913 1.374 -0.877 245 HB3 PRO 31 HB3 PRO 31 -6.924 2.706 -1.543 246 HG2 PRO 31 HG2 PRO 31 -6.109 -0.166 -1.057 247 HG3 PRO 31 HG3 PRO 31 -5.803 0.846 -2.505 248 HD2 PRO 31 HD2 PRO 31 -4.078 0.450 -0.313 249 HD3 PRO 31 HD3 PRO 31 -3.891 1.743 -1.496 250 H SER 32 H SER 32 -8.723 1.518 1.315 251 HA SER 32 HA SER 32 -7.777 -0.912 2.727 252 HB2 SER 32 HB2 SER 32 -7.892 0.887 4.427 253 HB3 SER 32 HB3 SER 32 -9.607 1.136 4.026 254 HG SER 32 HG SER 32 -9.797 -1.195 4.421 255 H GLY 33 H GLY 33 -9.568 -0.117 0.186 256 HA2 GLY 33 HA2 GLY 33 -11.130 -2.332 -0.020 257 HA3 GLY 33 HA3 GLY 33 -12.177 -1.172 0.807 258 H1 NAG 101 H1 NAG 34 12.237 -0.101 -0.444 259 H2 NAG 101 H2 NAG 34 13.613 2.170 -1.987 260 H3 NAG 101 H3 NAG 34 10.697 1.298 -1.721 261 H4 NAG 101 H4 NAG 34 12.565 1.310 -4.148 262 H5 NAG 101 H5 NAG 34 11.346 -0.965 -2.536 263 H61 NAG 101 H61 NAG 34 12.624 -2.527 -3.816 264 H62 NAG 101 H62 NAG 34 11.745 -1.535 -4.982 265 H81 NAG 101 H2M NAG 34 13.921 4.915 1.699 266 H82 NAG 101 H3M NAG 34 12.883 3.679 2.435 267 H83 NAG 101 H1M NAG 34 12.229 4.770 1.188 268 HN2 NAG 101 H2N NAG 34 11.593 2.773 0.074 269 HO3 NAG 101 H3O NAG 34 11.098 3.654 -1.984 270 HO4 NAG 101 H4O NAG 34 10.261 1.763 -4.278 271 HO6 NAG 101 H6O NAG 34 14.380 -0.975 -4.033 Start of MODEL 11 1 H1 LYS 1 H1 LYS 1 -7.730 3.476 -2.250 2 H2 LYS 1 H2 LYS 1 -7.822 2.431 -0.994 3 H3 LYS 1 H3 LYS 1 -8.981 3.593 -1.187 4 HA LYS 1 HA LYS 1 -9.743 1.364 -1.857 5 HB2 LYS 1 HB2 LYS 1 -10.785 2.147 -3.968 6 HB3 LYS 1 HB3 LYS 1 -10.930 3.276 -2.639 7 HG2 LYS 1 HG2 LYS 1 -8.550 4.046 -4.049 8 HG3 LYS 1 HG3 LYS 1 -9.692 3.621 -5.285 9 HD2 LYS 1 HD2 LYS 1 -10.924 5.487 -4.973 10 HD3 LYS 1 HD3 LYS 1 -10.917 5.369 -3.225 11 HE2 LYS 1 HE2 LYS 1 -8.642 6.484 -4.921 12 HE3 LYS 1 HE3 LYS 1 -9.838 7.421 -4.013 13 HZ1 LYS 1 HZ1 LYS 1 -7.996 7.300 -2.581 14 HZ2 LYS 1 HZ2 LYS 1 -8.973 6.121 -1.992 15 HZ3 LYS 1 HZ3 LYS 1 -7.673 5.717 -2.904 16 H LEU 2 H LEU 2 -9.151 -0.616 -2.864 17 HA LEU 2 HA LEU 2 -7.517 -0.427 -5.227 18 HB2 LEU 2 HB2 LEU 2 -5.824 -2.083 -4.405 19 HB3 LEU 2 HB3 LEU 2 -5.711 -0.446 -3.799 20 HG LEU 2 HG LEU 2 -6.630 -1.158 -1.594 21 HD11 LEU 2 HD11 LEU 2 -6.706 -3.904 -2.892 22 HD12 LEU 2 HD12 LEU 2 -6.538 -3.695 -1.154 23 HD13 LEU 2 HD13 LEU 2 -7.985 -3.085 -1.977 24 HD21 LEU 2 HD21 LEU 2 -4.210 -1.100 -2.125 25 HD22 LEU 2 HD22 LEU 2 -4.685 -2.245 -0.869 26 HD23 LEU 2 HD23 LEU 2 -4.297 -2.838 -2.494 27 HA PRO 3 HA PRO 3 -9.989 -3.858 -6.378 28 HB2 PRO 3 HB2 PRO 3 -7.754 -5.043 -7.965 29 HB3 PRO 3 HB3 PRO 3 -9.344 -4.458 -8.520 30 HG2 PRO 3 HG2 PRO 3 -7.048 -3.057 -9.012 31 HG3 PRO 3 HG3 PRO 3 -8.600 -2.238 -8.649 32 HD2 PRO 3 HD2 PRO 3 -6.300 -2.796 -6.764 33 HD3 PRO 3 HD3 PRO 3 -7.242 -1.301 -7.010 34 HA PRO 4 HA PRO 4 -9.226 -7.742 -4.213 35 HB2 PRO 4 HB2 PRO 4 -9.693 -9.091 -6.880 36 HB3 PRO 4 HB3 PRO 4 -10.339 -9.533 -5.267 37 HG2 PRO 4 HG2 PRO 4 -11.896 -8.182 -7.015 38 HG3 PRO 4 HG3 PRO 4 -11.858 -7.680 -5.291 39 HD2 PRO 4 HD2 PRO 4 -10.390 -6.460 -7.638 40 HD3 PRO 4 HD3 PRO 4 -11.271 -5.648 -6.307 41 H GLY 5 H GLY 5 -7.501 -9.013 -3.705 42 HA2 GLY 5 HA2 GLY 5 -5.620 -10.325 -3.963 43 HA3 GLY 5 HA3 GLY 5 -5.573 -9.932 -5.682 44 H TRP 6 H TRP 6 -5.627 -6.880 -4.638 45 HA TRP 6 HA TRP 6 -2.743 -6.498 -4.464 46 HB2 TRP 6 HB2 TRP 6 -5.099 -4.607 -4.242 47 HB3 TRP 6 HB3 TRP 6 -3.413 -4.140 -4.219 48 HD1 TRP 6 HD1 TRP 6 -5.944 -5.783 -6.601 49 HE1 TRP 6 HE1 TRP 6 -5.396 -5.100 -9.020 50 HE3 TRP 6 HE3 TRP 6 -1.638 -3.131 -5.752 51 HZ2 TRP 6 HZ2 TRP 6 -3.428 -3.530 -10.390 52 HZ3 TRP 6 HZ3 TRP 6 -0.490 -2.013 -7.646 53 HH2 TRP 6 HH2 TRP 6 -1.369 -2.190 -9.949 54 H GLU 7 H GLU 7 -1.827 -7.209 -2.579 55 HA GLU 7 HA GLU 7 -3.217 -6.605 -0.007 56 HB2 GLU 7 HB2 GLU 7 -3.220 -8.957 -1.155 57 HB3 GLU 7 HB3 GLU 7 -1.565 -9.048 -0.631 58 HG2 GLU 7 HG2 GLU 7 -4.089 -8.743 1.049 59 HG3 GLU 7 HG3 GLU 7 -3.105 -10.192 0.910 60 H LYS 8 H LYS 8 -1.817 -6.351 1.871 61 HA LYS 8 HA LYS 8 0.091 -4.324 1.363 62 HB2 LYS 8 HB2 LYS 8 0.227 -4.107 3.733 63 HB3 LYS 8 HB3 LYS 8 -1.427 -4.583 3.353 64 HG2 LYS 8 HG2 LYS 8 -0.349 -7.034 3.724 65 HG3 LYS 8 HG3 LYS 8 0.751 -6.130 4.749 66 HD2 LYS 8 HD2 LYS 8 -1.060 -5.415 6.178 67 HD3 LYS 8 HD3 LYS 8 -2.283 -5.965 5.019 68 HE2 LYS 8 HE2 LYS 8 -0.346 -7.781 6.527 69 HE3 LYS 8 HE3 LYS 8 -2.060 -7.531 6.904 70 HZ1 LYS 8 HZ1 LYS 8 -2.004 -9.475 5.554 71 HZ2 LYS 8 HZ2 LYS 8 -2.426 -8.259 4.479 72 HZ3 LYS 8 HZ3 LYS 8 -0.966 -8.807 4.444 73 H ARG 9 H ARG 9 2.232 -4.160 1.380 74 HA ARG 9 HA ARG 9 4.011 -6.434 2.167 75 HB2 ARG 9 HB2 ARG 9 4.288 -4.785 -0.353 76 HB3 ARG 9 HB3 ARG 9 5.400 -6.049 0.160 77 HG2 ARG 9 HG2 ARG 9 2.627 -6.396 -0.969 78 HG3 ARG 9 HG3 ARG 9 4.177 -6.722 -1.708 79 HD2 ARG 9 HD2 ARG 9 3.947 -8.833 -1.202 80 HD3 ARG 9 HD3 ARG 9 4.424 -8.378 0.424 81 HE ARG 9 HE ARG 9 2.049 -8.304 1.061 82 HH11 ARG 9 HH11 ARG 9 2.472 -9.897 -2.051 83 HH12 ARG 9 HH12 ARG 9 0.960 -10.787 -1.843 84 HH21 ARG 9 HH22 ARG 9 0.129 -9.610 1.239 85 HH22 ARG 9 HH21 ARG 9 -0.125 -10.690 -0.112 86 H MET 10 H MET 10 6.412 -5.462 1.786 87 HA MET 10 HA MET 10 6.772 -2.699 2.700 88 HB2 MET 10 HB2 MET 10 7.368 -5.186 4.357 89 HB3 MET 10 HB3 MET 10 8.329 -3.713 4.528 90 HG2 MET 10 HG2 MET 10 6.358 -2.415 5.085 91 HG3 MET 10 HG3 MET 10 5.329 -3.852 4.936 92 HE1 MET 10 HE1 MET 10 5.504 -1.851 7.500 93 HE2 MET 10 HE2 MET 10 4.361 -3.205 7.321 94 HE3 MET 10 HE3 MET 10 5.353 -3.063 8.791 95 H PHE 11 H PHE 11 8.554 -1.936 1.741 96 HA PHE 11 HA PHE 11 10.493 -3.626 0.329 97 HB2 PHE 11 HB2 PHE 11 10.213 -0.672 0.844 98 HB3 PHE 11 HB3 PHE 11 11.607 -1.352 0.028 99 HD1 PHE 11 HD1 PHE 11 11.116 -2.988 -1.986 100 HD2 PHE 11 HD2 PHE 11 8.357 0.030 -0.556 101 HE1 PHE 11 HE1 PHE 11 10.039 -2.902 -4.215 102 HE2 PHE 11 HE2 PHE 11 7.336 0.121 -2.815 103 HZ PHE 11 HZ PHE 11 8.176 -1.315 -4.631 104 H ALA 12 H ALA 12 12.828 -3.588 0.821 105 HA ALA 12 HA ALA 12 13.445 -4.191 3.491 106 HB1 ALA 12 HB1 ALA 12 15.752 -4.338 2.645 107 HB2 ALA 12 HB2 ALA 12 14.614 -5.074 1.505 108 HB3 ALA 12 HB3 ALA 12 15.289 -3.459 1.173 109 H ASN 13 H ASN 13 13.143 -1.040 2.198 110 HA ASN 13 HA ASN 13 14.855 0.222 4.262 111 HB2 ASN 13 HB2 ASN 13 14.318 2.308 3.041 112 HB3 ASN 13 HB3 ASN 13 15.037 1.091 1.990 113 HD21 ASN 13 HD21 ASN 13 14.079 2.399 0.189 114 H GLY 14 H GLY 14 11.790 -1.125 4.259 115 HA2 GLY 14 HA2 GLY 14 10.280 -0.985 6.018 116 HA3 GLY 14 HA3 GLY 14 10.865 0.622 6.454 117 H THR 15 H THR 15 10.068 0.146 3.024 118 HA THR 15 HA THR 15 7.954 2.194 3.413 119 HB THR 15 HB THR 15 9.294 1.219 0.887 120 HG1 THR 15 HG1 THR 15 10.757 2.141 2.082 121 HG21 THR 15 HG21 THR 15 7.073 2.342 0.491 122 HG22 THR 15 HG22 THR 15 7.717 3.776 1.321 123 HG23 THR 15 HG23 THR 15 8.468 3.192 -0.188 124 H VAL 16 H VAL 16 5.823 1.729 3.299 125 HA VAL 16 HA VAL 16 5.050 -1.055 2.718 126 HB VAL 16 HB VAL 16 3.709 1.310 4.078 127 HG11 VAL 16 HG11 VAL 16 1.863 0.208 2.903 128 HG12 VAL 16 HG12 VAL 16 2.424 -1.390 3.452 129 HG13 VAL 16 HG13 VAL 16 1.793 -0.204 4.613 130 HG21 VAL 16 HG21 VAL 16 4.310 -1.507 5.053 131 HG22 VAL 16 HG22 VAL 16 5.380 -0.108 5.344 132 HG23 VAL 16 HG23 VAL 16 3.747 -0.137 6.031 133 H TYR 17 H TYR 17 3.692 -1.691 1.160 134 HA TYR 17 HA TYR 17 2.221 0.197 -0.520 135 HB2 TYR 17 HB2 TYR 17 3.215 -0.633 -2.611 136 HB3 TYR 17 HB3 TYR 17 4.442 0.103 -1.611 137 HD1 TYR 17 HD2 TYR 17 6.082 -1.236 -0.367 138 HD2 TYR 17 HD1 TYR 17 3.415 -3.064 -3.240 139 HE1 TYR 17 HE2 TYR 17 7.610 -3.148 -0.548 140 HE2 TYR 17 HE1 TYR 17 4.956 -5.010 -3.401 141 HH TYR 17 HH TYR 17 8.020 -5.161 -1.588 142 H TYR 18 H TYR 18 0.878 -1.194 -2.146 143 HA TYR 18 HA TYR 18 0.342 -3.924 -1.089 144 HB2 TYR 18 HB2 TYR 18 -1.448 -1.913 -2.479 145 HB3 TYR 18 HB3 TYR 18 -1.870 -3.614 -2.263 146 HD1 TYR 18 HD2 TYR 18 -0.612 -0.690 -0.249 147 HD2 TYR 18 HD1 TYR 18 -3.110 -4.196 -0.340 148 HE1 TYR 18 HE2 TYR 18 -1.065 -0.368 2.067 149 HE2 TYR 18 HE1 TYR 18 -3.800 -3.753 1.982 150 HH TYR 18 HH TYR 18 -3.332 -2.531 3.912 151 H PHE 19 H PHE 19 0.225 -5.632 -2.371 152 HA PHE 19 HA PHE 19 1.332 -5.411 -5.134 153 HB2 PHE 19 HB2 PHE 19 2.954 -5.999 -3.413 154 HB3 PHE 19 HB3 PHE 19 1.940 -7.349 -2.893 155 HD1 PHE 19 HD1 PHE 19 1.668 -9.349 -4.337 156 HD2 PHE 19 HD2 PHE 19 4.415 -6.186 -5.325 157 HE1 PHE 19 HE1 PHE 19 2.949 -10.907 -5.816 158 HE2 PHE 19 HE2 PHE 19 5.654 -7.703 -6.803 159 HZ PHE 19 HZ PHE 19 4.923 -10.088 -7.053 160 H ASN 20 H ASN 20 0.069 -6.340 -6.601 161 HA ASN 20 HA ASN 20 -2.201 -8.017 -5.904 162 HB2 ASN 20 HB2 ASN 20 -2.226 -6.340 -7.761 163 HB3 ASN 20 HB3 ASN 20 -1.037 -7.311 -8.607 164 HD21 ASN 20 HD22 ASN 20 -4.421 -7.165 -7.510 165 HD22 ASN 20 HD21 ASN 20 -4.929 -8.597 -8.370 166 H HIS 21 H HIS 21 -1.324 -9.863 -4.877 167 HA HIS 21 HA HIS 21 0.734 -11.411 -6.261 168 HB2 HIS 21 HB2 HIS 21 0.457 -13.072 -4.448 169 HB3 HIS 21 HB3 HIS 21 0.913 -11.464 -3.961 170 HD2 HIS 21 HD2 HIS 21 -2.693 -12.883 -4.449 171 HE1 HIS 21 HE1 HIS 21 -2.266 -11.726 -0.378 172 HE2 HIS 21 HE2 HIS 21 -3.879 -12.634 -2.113 173 H ILE 22 H ILE 22 -1.725 -10.928 -7.797 174 HA ILE 22 HA ILE 22 -2.136 -13.746 -8.678 175 HB ILE 22 HB ILE 22 -3.995 -11.377 -9.126 176 HG12 ILE 22 HG12 ILE 22 -4.338 -13.742 -7.229 177 HG13 ILE 22 HG13 ILE 22 -4.004 -12.083 -6.739 178 HG21 ILE 22 HG21 ILE 22 -4.326 -14.335 -9.780 179 HG22 ILE 22 HG22 ILE 22 -5.563 -13.079 -10.019 180 HG23 ILE 22 HG23 ILE 22 -4.087 -13.023 -10.953 181 HD11 ILE 22 HD11 ILE 22 -6.560 -13.078 -8.018 182 HD12 ILE 22 HD12 ILE 22 -6.313 -12.439 -6.390 183 HD13 ILE 22 HD13 ILE 22 -6.161 -11.354 -7.786 184 H THR 23 H THR 23 -0.889 -10.568 -9.399 185 HA THR 23 HA THR 23 -0.184 -11.394 -12.192 186 HB THR 23 HB THR 23 -0.472 -9.023 -12.833 187 HG1 THR 23 HG1 THR 23 -1.730 -8.754 -10.316 188 HG21 THR 23 HG21 THR 23 -2.378 -10.556 -13.191 189 HG22 THR 23 HG22 THR 23 -3.017 -10.154 -11.586 190 HG23 THR 23 HG23 THR 23 -2.904 -8.899 -12.837 191 H ASN 24 H ASN 24 0.938 -9.934 -9.202 192 HA ASN 24 HA ASN 24 2.880 -9.306 -8.453 193 HB2 ASN 24 HB2 ASN 24 4.209 -9.461 -11.174 194 HB3 ASN 24 HB3 ASN 24 4.978 -9.354 -9.604 195 HD21 ASN 24 HD22 ASN 24 3.293 -11.467 -11.821 196 HD22 ASN 24 HD21 ASN 24 3.790 -12.968 -11.011 197 H ALA 25 H ALA 25 0.789 -7.515 -10.177 198 HA ALA 25 HA ALA 25 2.355 -5.118 -10.609 199 HB1 ALA 25 HB1 ALA 25 0.175 -4.027 -10.740 200 HB2 ALA 25 HB2 ALA 25 0.127 -5.558 -11.632 201 HB3 ALA 25 HB3 ALA 25 -0.621 -5.443 -10.024 202 H SER 26 H SER 26 2.456 -3.176 -9.211 203 HA SER 26 HA SER 26 1.721 -3.550 -6.363 204 HB2 SER 26 HB2 SER 26 3.974 -2.867 -5.650 205 HB3 SER 26 HB3 SER 26 4.023 -4.397 -6.534 206 HG SER 26 HG SER 26 4.352 -1.921 -7.865 207 H GLN 27 H GLN 27 1.184 -1.660 -5.295 208 HA GLN 27 HA GLN 27 2.126 0.907 -6.330 209 HB2 GLN 27 HB2 GLN 27 0.079 0.401 -7.680 210 HB3 GLN 27 HB3 GLN 27 -0.862 0.278 -6.196 211 HG2 GLN 27 HG2 GLN 27 -1.144 2.434 -7.420 212 HG3 GLN 27 HG3 GLN 27 -0.594 2.655 -5.769 213 HE21 GLN 27 HE22 GLN 27 0.376 2.964 -9.219 214 HE22 GLN 27 HE21 GLN 27 1.845 3.831 -8.801 215 H PHE 28 H PHE 28 1.840 2.650 -4.832 216 HA PHE 28 HA PHE 28 2.030 1.828 -2.063 217 HB2 PHE 28 HB2 PHE 28 2.026 4.558 -3.402 218 HB3 PHE 28 HB3 PHE 28 2.430 4.254 -1.713 219 HD1 PHE 28 HD1 PHE 28 4.304 2.529 -1.219 220 HD2 PHE 28 HD2 PHE 28 3.791 4.479 -5.029 221 HE1 PHE 28 HE1 PHE 28 6.658 2.038 -1.783 222 HE2 PHE 28 HE2 PHE 28 6.158 3.993 -5.589 223 HZ PHE 28 HZ PHE 28 7.605 2.782 -3.966 224 H GLU 29 H GLU 29 -0.725 2.561 -3.927 225 HA GLU 29 HA GLU 29 -2.311 3.909 -1.943 226 HB2 GLU 29 HB2 GLU 29 -2.913 4.108 -4.254 227 HB3 GLU 29 HB3 GLU 29 -2.946 2.365 -4.472 228 HG2 GLU 29 HG2 GLU 29 -5.178 3.274 -4.526 229 HG3 GLU 29 HG3 GLU 29 -4.986 2.163 -3.174 230 H ARG 30 H ARG 30 -4.024 3.068 -0.740 231 HA ARG 30 HA ARG 30 -3.829 0.239 0.086 232 HB2 ARG 30 HB2 ARG 30 -3.580 0.697 2.367 233 HB3 ARG 30 HB3 ARG 30 -2.342 1.591 1.527 234 HG2 ARG 30 HG2 ARG 30 -4.891 2.818 2.673 235 HG3 ARG 30 HG3 ARG 30 -3.349 2.675 3.498 236 HD2 ARG 30 HD2 ARG 30 -3.160 4.833 2.795 237 HD3 ARG 30 HD3 ARG 30 -2.351 4.001 1.470 238 HE ARG 30 HE ARG 30 -4.060 4.743 0.014 239 HH11 ARG 30 HH11 ARG 30 -5.302 5.274 3.236 240 HH12 ARG 30 HH12 ARG 30 -6.895 5.679 2.597 241 HH21 ARG 30 HH21 ARG 30 -5.808 5.339 -0.695 242 HH22 ARG 30 HH22 ARG 30 -7.121 6.044 0.297 243 HA PRO 31 HA PRO 31 -8.026 -0.122 -0.060 244 HB2 PRO 31 HB2 PRO 31 -8.347 -1.009 2.788 245 HB3 PRO 31 HB3 PRO 31 -8.892 -1.816 1.288 246 HG2 PRO 31 HG2 PRO 31 -6.664 -2.652 2.607 247 HG3 PRO 31 HG3 PRO 31 -6.702 -2.592 0.820 248 HD2 PRO 31 HD2 PRO 31 -5.466 -0.623 2.738 249 HD3 PRO 31 HD3 PRO 31 -4.836 -1.253 1.189 250 H SER 32 H SER 32 -7.532 1.175 2.936 251 HA SER 32 HA SER 32 -10.105 2.241 3.552 252 HB2 SER 32 HB2 SER 32 -9.085 3.223 5.521 253 HB3 SER 32 HB3 SER 32 -8.416 1.601 5.245 254 HG SER 32 HG SER 32 -7.303 4.031 4.359 255 H GLY 33 H GLY 33 -10.614 3.439 1.569 256 HA2 GLY 33 HA2 GLY 33 -11.460 5.598 1.043 257 HA3 GLY 33 HA3 GLY 33 -10.184 6.354 2.012 258 H1 NAG 101 H1 NAG 34 11.404 1.216 -0.331 259 H2 NAG 101 H2 NAG 34 12.549 3.628 -1.826 260 H3 NAG 101 H3 NAG 34 9.966 1.982 -1.973 261 H4 NAG 101 H4 NAG 34 12.249 2.471 -3.927 262 H5 NAG 101 H5 NAG 34 11.375 -0.051 -2.475 263 H61 NAG 101 H61 NAG 34 13.233 -1.198 -3.369 264 H62 NAG 101 H62 NAG 34 12.554 -0.351 -4.763 265 H81 NAG 101 H2M NAG 34 10.853 5.940 1.403 266 H82 NAG 101 H3M NAG 34 9.227 5.841 0.689 267 H83 NAG 101 H1M NAG 34 10.313 7.177 0.247 268 HN2 NAG 101 H2N NAG 34 10.810 3.619 0.508 269 HO3 NAG 101 H3O NAG 34 10.385 4.578 -2.713 270 HO4 NAG 101 H4O NAG 34 9.995 2.196 -4.589 271 HO6 NAG 101 H6O NAG 34 14.569 0.753 -3.076 Start of MODEL 12 1 H1 LYS 1 H1 LYS 1 -8.372 4.210 -2.671 2 H2 LYS 1 H2 LYS 1 -7.174 3.933 -3.769 3 H3 LYS 1 H3 LYS 1 -7.168 3.148 -2.344 4 HA LYS 1 HA LYS 1 -9.160 1.964 -2.867 5 HB2 LYS 1 HB2 LYS 1 -10.481 2.272 -4.648 6 HB3 LYS 1 HB3 LYS 1 -9.992 3.929 -4.381 7 HG2 LYS 1 HG2 LYS 1 -8.769 2.074 -6.500 8 HG3 LYS 1 HG3 LYS 1 -10.144 3.094 -6.775 9 HD2 LYS 1 HD2 LYS 1 -8.962 4.933 -7.119 10 HD3 LYS 1 HD3 LYS 1 -7.898 4.694 -5.753 11 HE2 LYS 1 HE2 LYS 1 -7.597 2.979 -8.246 12 HE3 LYS 1 HE3 LYS 1 -6.962 4.633 -8.231 13 HZ1 LYS 1 HZ1 LYS 1 -5.322 2.836 -7.461 14 HZ2 LYS 1 HZ2 LYS 1 -5.518 4.146 -6.477 15 HZ3 LYS 1 HZ3 LYS 1 -6.229 2.723 -6.106 16 H LEU 2 H LEU 2 -9.096 -0.130 -3.741 17 HA LEU 2 HA LEU 2 -7.520 -0.820 -5.958 18 HB2 LEU 2 HB2 LEU 2 -6.034 -2.474 -4.858 19 HB3 LEU 2 HB3 LEU 2 -5.620 -0.806 -4.598 20 HG LEU 2 HG LEU 2 -6.622 -0.979 -2.245 21 HD11 LEU 2 HD11 LEU 2 -6.853 -3.893 -3.075 22 HD12 LEU 2 HD12 LEU 2 -6.568 -3.440 -1.397 23 HD13 LEU 2 HD13 LEU 2 -8.032 -2.890 -2.215 24 HD21 LEU 2 HD21 LEU 2 -4.695 -1.998 -1.387 25 HD22 LEU 2 HD22 LEU 2 -4.349 -2.828 -2.918 26 HD23 LEU 2 HD23 LEU 2 -4.231 -1.053 -2.797 27 HA PRO 3 HA PRO 3 -10.622 -4.036 -5.508 28 HB2 PRO 3 HB2 PRO 3 -10.101 -5.635 -7.633 29 HB3 PRO 3 HB3 PRO 3 -10.564 -3.920 -7.850 30 HG2 PRO 3 HG2 PRO 3 -7.801 -5.137 -7.859 31 HG3 PRO 3 HG3 PRO 3 -8.500 -4.000 -9.050 32 HD2 PRO 3 HD2 PRO 3 -6.901 -3.200 -6.926 33 HD3 PRO 3 HD3 PRO 3 -8.171 -2.170 -7.650 34 HA PRO 4 HA PRO 4 -9.243 -7.758 -3.370 35 HB2 PRO 4 HB2 PRO 4 -10.637 -9.284 -5.582 36 HB3 PRO 4 HB3 PRO 4 -10.663 -9.593 -3.815 37 HG2 PRO 4 HG2 PRO 4 -12.728 -8.296 -4.976 38 HG3 PRO 4 HG3 PRO 4 -12.053 -7.675 -3.433 39 HD2 PRO 4 HD2 PRO 4 -11.547 -6.689 -6.242 40 HD3 PRO 4 HD3 PRO 4 -11.839 -5.746 -4.750 41 H GLY 5 H GLY 5 -7.479 -9.084 -3.356 42 HA2 GLY 5 HA2 GLY 5 -5.887 -10.572 -4.288 43 HA3 GLY 5 HA3 GLY 5 -6.161 -9.882 -5.889 44 H TRP 6 H TRP 6 -5.906 -7.059 -4.354 45 HA TRP 6 HA TRP 6 -2.968 -6.885 -4.438 46 HB2 TRP 6 HB2 TRP 6 -5.159 -4.817 -4.154 47 HB3 TRP 6 HB3 TRP 6 -3.438 -4.493 -4.241 48 HD1 TRP 6 HD1 TRP 6 -6.170 -6.125 -6.438 49 HE1 TRP 6 HE1 TRP 6 -5.748 -5.520 -8.899 50 HE3 TRP 6 HE3 TRP 6 -1.767 -3.531 -5.921 51 HZ2 TRP 6 HZ2 TRP 6 -3.785 -4.126 -10.444 52 HZ3 TRP 6 HZ3 TRP 6 -0.677 -2.564 -7.932 53 HH2 TRP 6 HH2 TRP 6 -1.661 -2.842 -10.172 54 H GLU 7 H GLU 7 -1.905 -7.346 -2.580 55 HA GLU 7 HA GLU 7 -3.346 -7.157 0.015 56 HB2 GLU 7 HB2 GLU 7 -2.697 -9.350 -1.317 57 HB3 GLU 7 HB3 GLU 7 -1.080 -9.039 -0.723 58 HG2 GLU 7 HG2 GLU 7 -3.607 -9.478 0.930 59 HG3 GLU 7 HG3 GLU 7 -2.337 -10.670 0.636 60 H LYS 8 H LYS 8 -2.156 -6.461 1.878 61 HA LYS 8 HA LYS 8 -0.428 -4.239 1.157 62 HB2 LYS 8 HB2 LYS 8 -0.705 -3.289 3.136 63 HB3 LYS 8 HB3 LYS 8 -2.205 -4.177 3.009 64 HG2 LYS 8 HG2 LYS 8 0.151 -5.174 4.671 65 HG3 LYS 8 HG3 LYS 8 -0.998 -4.009 5.261 66 HD2 LYS 8 HD2 LYS 8 -2.551 -5.504 5.737 67 HD3 LYS 8 HD3 LYS 8 -2.474 -6.265 4.161 68 HE2 LYS 8 HE2 LYS 8 -0.461 -6.781 6.401 69 HE3 LYS 8 HE3 LYS 8 -1.923 -7.751 6.138 70 HZ1 LYS 8 HZ1 LYS 8 0.218 -7.405 4.102 71 HZ2 LYS 8 HZ2 LYS 8 -0.043 -8.775 5.009 72 HZ3 LYS 8 HZ3 LYS 8 -1.145 -8.237 3.902 73 H ARG 9 H ARG 9 1.679 -4.022 1.119 74 HA ARG 9 HA ARG 9 3.438 -6.221 2.058 75 HB2 ARG 9 HB2 ARG 9 2.477 -5.996 -0.440 76 HB3 ARG 9 HB3 ARG 9 3.584 -4.651 -0.532 77 HG2 ARG 9 HG2 ARG 9 4.774 -6.278 -1.445 78 HG3 ARG 9 HG3 ARG 9 5.396 -6.435 0.193 79 HD2 ARG 9 HD2 ARG 9 3.354 -8.181 -1.276 80 HD3 ARG 9 HD3 ARG 9 4.993 -8.620 -0.847 81 HE ARG 9 HE ARG 9 4.360 -8.991 1.384 82 HH11 ARG 9 HH22 ARG 9 1.379 -7.826 -0.314 83 HH12 ARG 9 HH21 ARG 9 0.463 -8.759 0.874 84 HH21 ARG 9 HH11 ARG 9 2.804 -10.063 2.733 85 HH22 ARG 9 HH12 ARG 9 1.101 -9.752 2.313 86 H MET 10 H MET 10 5.850 -5.441 1.854 87 HA MET 10 HA MET 10 6.243 -2.581 2.036 88 HB2 MET 10 HB2 MET 10 7.185 -2.510 4.230 89 HB3 MET 10 HB3 MET 10 5.541 -3.134 4.343 90 HG2 MET 10 HG2 MET 10 6.434 -5.445 4.511 91 HG3 MET 10 HG3 MET 10 8.080 -4.807 4.475 92 HE1 MET 10 HE1 MET 10 9.220 -3.445 6.327 93 HE2 MET 10 HE2 MET 10 7.959 -2.188 6.365 94 HE3 MET 10 HE3 MET 10 8.466 -2.980 7.869 95 H PHE 11 H PHE 11 8.240 -1.926 1.571 96 HA PHE 11 HA PHE 11 10.197 -3.822 0.494 97 HB2 PHE 11 HB2 PHE 11 10.029 -0.821 0.734 98 HB3 PHE 11 HB3 PHE 11 11.428 -1.644 0.065 99 HD1 PHE 11 HD1 PHE 11 10.981 -3.395 -1.830 100 HD2 PHE 11 HD2 PHE 11 8.239 -0.190 -0.811 101 HE1 PHE 11 HE1 PHE 11 10.006 -3.495 -4.104 102 HE2 PHE 11 HE2 PHE 11 7.317 -0.305 -3.110 103 HZ PHE 11 HZ PHE 11 8.199 -1.923 -4.747 104 H ALA 12 H ALA 12 12.432 -3.930 1.218 105 HA ALA 12 HA ALA 12 12.775 -4.231 3.986 106 HB1 ALA 12 HB1 ALA 12 14.017 -5.457 2.244 107 HB2 ALA 12 HB2 ALA 12 14.858 -3.958 1.775 108 HB3 ALA 12 HB3 ALA 12 15.122 -4.666 3.382 109 H ASN 13 H ASN 13 12.985 -1.272 2.213 110 HA ASN 13 HA ASN 13 14.613 0.120 4.239 111 HB2 ASN 13 HB2 ASN 13 14.253 2.081 2.786 112 HB3 ASN 13 HB3 ASN 13 14.904 0.714 1.886 113 HD21 ASN 13 HD21 ASN 13 14.069 1.978 -0.034 114 H GLY 14 H GLY 14 11.454 -1.020 4.252 115 HA2 GLY 14 HA2 GLY 14 9.934 -0.602 5.970 116 HA3 GLY 14 HA3 GLY 14 10.596 1.013 6.224 117 H THR 15 H THR 15 9.875 0.198 2.849 118 HA THR 15 HA THR 15 7.860 2.374 2.944 119 HB THR 15 HB THR 15 9.194 1.104 0.558 120 HG1 THR 15 HG1 THR 15 10.707 2.003 1.728 121 HG21 THR 15 HG21 THR 15 7.062 2.373 0.066 122 HG22 THR 15 HG22 THR 15 7.831 3.806 0.779 123 HG23 THR 15 HG23 THR 15 8.527 3.042 -0.673 124 H VAL 16 H VAL 16 5.739 1.917 2.994 125 HA VAL 16 HA VAL 16 4.870 -0.847 2.452 126 HB VAL 16 HB VAL 16 3.756 1.510 3.973 127 HG11 VAL 16 HG11 VAL 16 2.125 -0.955 3.203 128 HG12 VAL 16 HG12 VAL 16 1.691 0.218 4.464 129 HG13 VAL 16 HG13 VAL 16 1.755 0.737 2.781 130 HG21 VAL 16 HG21 VAL 16 3.698 -0.124 5.783 131 HG22 VAL 16 HG22 VAL 16 4.066 -1.444 4.653 132 HG23 VAL 16 HG23 VAL 16 5.295 -0.204 5.019 133 H TYR 17 H TYR 17 3.364 -1.461 1.051 134 HA TYR 17 HA TYR 17 1.997 0.359 -0.769 135 HB2 TYR 17 HB2 TYR 17 3.061 -0.517 -2.780 136 HB3 TYR 17 HB3 TYR 17 4.287 0.181 -1.741 137 HD1 TYR 17 HD1 TYR 17 5.802 -1.218 -0.398 138 HD2 TYR 17 HD2 TYR 17 3.211 -2.904 -3.396 139 HE1 TYR 17 HE1 TYR 17 7.318 -3.149 -0.606 140 HE2 TYR 17 HE2 TYR 17 4.774 -4.834 -3.644 141 HH TYR 17 HH TYR 17 7.856 -4.988 -1.880 142 H TYR 18 H TYR 18 0.771 -1.159 -2.432 143 HA TYR 18 HA TYR 18 0.055 -3.760 -1.151 144 HB2 TYR 18 HB2 TYR 18 -1.597 -1.846 -2.826 145 HB3 TYR 18 HB3 TYR 18 -2.092 -3.485 -2.382 146 HD1 TYR 18 HD1 TYR 18 -0.887 -0.257 -0.839 147 HD2 TYR 18 HD2 TYR 18 -3.239 -3.845 -0.337 148 HE1 TYR 18 HE1 TYR 18 -1.246 0.311 1.460 149 HE2 TYR 18 HE2 TYR 18 -4.001 -3.014 1.854 150 HH TYR 18 HH TYR 18 -3.604 -1.460 3.551 151 H PHE 19 H PHE 19 0.059 -5.577 -2.294 152 HA PHE 19 HA PHE 19 1.347 -5.505 -4.989 153 HB2 PHE 19 HB2 PHE 19 2.837 -6.034 -3.112 154 HB3 PHE 19 HB3 PHE 19 1.748 -7.297 -2.572 155 HD1 PHE 19 HD1 PHE 19 3.944 -6.248 -5.413 156 HD2 PHE 19 HD2 PHE 19 1.888 -9.518 -3.488 157 HE1 PHE 19 HE1 PHE 19 5.213 -7.838 -6.786 158 HE2 PHE 19 HE2 PHE 19 3.171 -11.131 -4.873 159 HZ PHE 19 HZ PHE 19 4.860 -10.306 -6.499 160 H ASN 20 H ASN 20 0.196 -6.439 -6.550 161 HA ASN 20 HA ASN 20 -2.119 -8.107 -6.009 162 HB2 ASN 20 HB2 ASN 20 -2.002 -6.468 -7.903 163 HB3 ASN 20 HB3 ASN 20 -0.744 -7.452 -8.628 164 HD21 ASN 20 HD22 ASN 20 -4.214 -7.276 -7.875 165 HD22 ASN 20 HD21 ASN 20 -4.608 -8.750 -8.755 166 H HIS 21 H HIS 21 -1.524 -10.056 -5.038 167 HA HIS 21 HA HIS 21 0.884 -11.433 -5.855 168 HB2 HIS 21 HB2 HIS 21 0.248 -13.114 -4.251 169 HB3 HIS 21 HB3 HIS 21 0.010 -11.511 -3.578 170 HD2 HIS 21 HD2 HIS 21 -2.124 -14.381 -5.137 171 HE1 HIS 21 HE1 HIS 21 -4.621 -12.149 -2.491 172 HE2 HIS 21 HE2 HIS 21 -4.508 -14.197 -4.020 173 H ILE 22 H ILE 22 -1.792 -11.177 -7.752 174 HA ILE 22 HA ILE 22 -1.668 -13.966 -8.775 175 HB ILE 22 HB ILE 22 -3.567 -11.702 -9.534 176 HG12 ILE 22 HG12 ILE 22 -5.231 -13.394 -8.330 177 HG13 ILE 22 HG13 ILE 22 -3.799 -13.892 -7.444 178 HG21 ILE 22 HG21 ILE 22 -3.607 -14.681 -10.170 179 HG22 ILE 22 HG22 ILE 22 -4.913 -13.533 -10.546 180 HG23 ILE 22 HG23 ILE 22 -3.351 -13.353 -11.324 181 HD11 ILE 22 HD11 ILE 22 -3.580 -11.587 -6.534 182 HD12 ILE 22 HD12 ILE 22 -4.889 -11.037 -7.605 183 HD13 ILE 22 HD13 ILE 22 -5.220 -12.186 -6.294 184 H THR 23 H THR 23 -0.604 -10.712 -9.438 185 HA THR 23 HA THR 23 0.441 -11.530 -12.140 186 HB THR 23 HB THR 23 0.064 -9.201 -12.845 187 HG1 THR 23 HG1 THR 23 -1.367 -8.947 -10.415 188 HG21 THR 23 HG21 THR 23 -2.504 -10.420 -11.735 189 HG22 THR 23 HG22 THR 23 -2.361 -9.210 -13.026 190 HG23 THR 23 HG23 THR 23 -1.739 -10.852 -13.278 191 H ASN 24 H ASN 24 1.238 -10.023 -9.090 192 HA ASN 24 HA ASN 24 3.089 -9.296 -8.187 193 HB2 ASN 24 HB2 ASN 24 4.649 -9.426 -10.785 194 HB3 ASN 24 HB3 ASN 24 5.276 -9.277 -9.156 195 HD21 ASN 24 HD22 ASN 24 3.808 -11.472 -11.466 196 HD22 ASN 24 HD21 ASN 24 4.315 -12.947 -10.610 197 H ALA 25 H ALA 25 1.101 -7.663 -10.184 198 HA ALA 25 HA ALA 25 2.545 -5.198 -10.566 199 HB1 ALA 25 HB1 ALA 25 0.314 -4.253 -10.913 200 HB2 ALA 25 HB2 ALA 25 0.447 -5.808 -11.757 201 HB3 ALA 25 HB3 ALA 25 -0.445 -5.702 -10.223 202 H SER 26 H SER 26 2.269 -3.147 -9.283 203 HA SER 26 HA SER 26 1.492 -3.566 -6.472 204 HB2 SER 26 HB2 SER 26 3.631 -2.756 -5.663 205 HB3 SER 26 HB3 SER 26 3.851 -4.197 -6.655 206 HG SER 26 HG SER 26 5.360 -2.592 -7.207 207 H GLN 27 H GLN 27 1.034 -1.726 -5.286 208 HA GLN 27 HA GLN 27 0.922 0.904 -6.682 209 HB2 GLN 27 HB2 GLN 27 -1.219 -0.344 -7.099 210 HB3 GLN 27 HB3 GLN 27 -1.446 -0.501 -5.352 211 HG2 GLN 27 HG2 GLN 27 -1.401 2.045 -5.242 212 HG3 GLN 27 HG3 GLN 27 -1.415 2.064 -7.002 213 HE21 GLN 27 HE22 GLN 27 -3.304 1.283 -4.054 214 HE22 GLN 27 HE21 GLN 27 -4.862 1.272 -4.898 215 H PHE 28 H PHE 28 1.906 2.361 -5.276 216 HA PHE 28 HA PHE 28 2.266 1.864 -2.472 217 HB2 PHE 28 HB2 PHE 28 2.475 4.388 -4.155 218 HB3 PHE 28 HB3 PHE 28 2.884 4.315 -2.446 219 HD1 PHE 28 HD2 PHE 28 4.605 2.571 -1.663 220 HD2 PHE 28 HD1 PHE 28 4.176 3.829 -5.768 221 HE1 PHE 28 HE2 PHE 28 6.893 1.764 -2.154 222 HE2 PHE 28 HE1 PHE 28 6.474 3.034 -6.248 223 HZ PHE 28 HZ PHE 28 7.841 2.007 -4.442 224 H GLU 29 H GLU 29 -0.236 3.623 -4.255 225 HA GLU 29 HA GLU 29 -1.561 4.869 -2.074 226 HB2 GLU 29 HB2 GLU 29 -1.768 5.289 -4.585 227 HB3 GLU 29 HB3 GLU 29 -2.720 3.815 -4.667 228 HG2 GLU 29 HG2 GLU 29 -4.090 5.166 -2.712 229 HG3 GLU 29 HG3 GLU 29 -3.446 6.520 -3.642 230 H ARG 30 H ARG 30 -3.264 4.201 -0.779 231 HA ARG 30 HA ARG 30 -3.477 1.288 -0.410 232 HB2 ARG 30 HB2 ARG 30 -4.131 3.282 1.745 233 HB3 ARG 30 HB3 ARG 30 -3.575 1.604 1.839 234 HG2 ARG 30 HG2 ARG 30 -1.344 2.486 0.833 235 HG3 ARG 30 HG3 ARG 30 -1.934 4.078 1.308 236 HD2 ARG 30 HD2 ARG 30 -1.418 1.683 3.137 237 HD3 ARG 30 HD3 ARG 30 -0.472 3.158 3.029 238 HE ARG 30 HE ARG 30 -2.120 4.344 4.217 239 HH11 ARG 30 HH21 ARG 30 -3.203 0.946 3.895 240 HH12 ARG 30 HH22 ARG 30 -4.661 1.304 4.794 241 HH21 ARG 30 HH12 ARG 30 -3.877 4.536 5.652 242 HH22 ARG 30 HH11 ARG 30 -4.846 3.085 5.923 243 HA PRO 31 HA PRO 31 -7.636 0.700 -1.215 244 HB2 PRO 31 HB2 PRO 31 -8.383 -0.027 1.596 245 HB3 PRO 31 HB3 PRO 31 -8.641 -0.957 0.092 246 HG2 PRO 31 HG2 PRO 31 -6.656 -1.564 1.888 247 HG3 PRO 31 HG3 PRO 31 -6.441 -1.776 0.132 248 HD2 PRO 31 HD2 PRO 31 -5.395 0.383 1.909 249 HD3 PRO 31 HD3 PRO 31 -4.660 -0.351 0.447 250 H SER 32 H SER 32 -7.336 2.253 1.627 251 HA SER 32 HA SER 32 -8.198 4.715 1.813 252 HB2 SER 32 HB2 SER 32 -10.863 3.252 1.798 253 HB3 SER 32 HB3 SER 32 -10.611 4.951 2.246 254 HG SER 32 HG SER 32 -10.005 3.726 -0.228 255 H GLY 33 H GLY 33 -8.440 1.595 3.299 256 HA2 GLY 33 HA2 GLY 33 -8.432 2.760 6.041 257 HA3 GLY 33 HA3 GLY 33 -8.829 1.080 5.629 258 H1 NAG 101 H1 NAG 34 11.355 0.890 -0.559 259 H2 NAG 101 H2 NAG 34 12.678 3.105 -2.206 260 H3 NAG 101 H3 NAG 34 10.016 1.584 -2.285 261 H4 NAG 101 H4 NAG 34 12.360 1.818 -4.215 262 H5 NAG 101 H5 NAG 34 11.339 -0.548 -2.608 263 H61 NAG 101 H61 NAG 34 13.209 -1.815 -3.337 264 H62 NAG 101 H62 NAG 34 12.564 -1.085 -4.810 265 H81 NAG 101 H2M NAG 34 11.003 5.746 0.777 266 H82 NAG 101 H3M NAG 34 9.420 5.754 -0.034 267 H83 NAG 101 H1M NAG 34 10.659 6.944 -0.489 268 HN2 NAG 101 H2N NAG 34 10.888 3.398 0.069 269 HO3 NAG 101 H3O NAG 34 10.580 4.091 -3.227 270 HO4 NAG 101 H4O NAG 34 10.123 1.602 -4.918 271 HO6 NAG 101 H6O NAG 34 14.595 0.101 -3.197 Start of MODEL 13 1 H1 LYS 1 H1 LYS 1 -12.591 -0.760 -1.235 2 H2 LYS 1 H2 LYS 1 -11.308 -1.441 -0.615 3 H3 LYS 1 H3 LYS 1 -12.023 -2.145 -1.953 4 HA LYS 1 HA LYS 1 -11.511 -0.056 -3.194 5 HB2 LYS 1 HB2 LYS 1 -11.137 1.311 -1.153 6 HB3 LYS 1 HB3 LYS 1 -9.646 0.413 -0.839 7 HG2 LYS 1 HG2 LYS 1 -8.752 1.217 -3.064 8 HG3 LYS 1 HG3 LYS 1 -10.244 2.162 -3.277 9 HD2 LYS 1 HD2 LYS 1 -9.739 3.364 -1.153 10 HD3 LYS 1 HD3 LYS 1 -8.246 2.421 -0.996 11 HE2 LYS 1 HE2 LYS 1 -7.483 3.388 -3.193 12 HE3 LYS 1 HE3 LYS 1 -8.899 4.457 -3.154 13 HZ1 LYS 1 HZ1 LYS 1 -8.064 5.285 -0.973 14 HZ2 LYS 1 HZ2 LYS 1 -6.770 4.303 -1.089 15 HZ3 LYS 1 HZ3 LYS 1 -6.887 5.511 -2.156 16 H LEU 2 H LEU 2 -8.968 -1.874 -1.271 17 HA LEU 2 HA LEU 2 -7.303 -2.415 -3.496 18 HB2 LEU 2 HB2 LEU 2 -7.836 -3.932 -0.923 19 HB3 LEU 2 HB3 LEU 2 -6.612 -4.396 -2.082 20 HG LEU 2 HG LEU 2 -6.644 -1.805 -0.491 21 HD11 LEU 2 HD11 LEU 2 -4.804 -4.231 -0.401 22 HD12 LEU 2 HD12 LEU 2 -4.700 -2.777 0.619 23 HD13 LEU 2 HD13 LEU 2 -6.084 -3.866 0.771 24 HD21 LEU 2 HD21 LEU 2 -4.587 -2.800 -2.507 25 HD22 LEU 2 HD22 LEU 2 -5.586 -1.337 -2.655 26 HD23 LEU 2 HD23 LEU 2 -4.361 -1.437 -1.393 27 HA PRO 3 HA PRO 3 -10.209 -5.186 -5.604 28 HB2 PRO 3 HB2 PRO 3 -7.908 -5.716 -7.444 29 HB3 PRO 3 HB3 PRO 3 -9.560 -5.174 -7.829 30 HG2 PRO 3 HG2 PRO 3 -7.436 -3.461 -7.930 31 HG3 PRO 3 HG3 PRO 3 -9.058 -2.936 -7.375 32 HD2 PRO 3 HD2 PRO 3 -6.649 -3.648 -5.701 33 HD3 PRO 3 HD3 PRO 3 -7.818 -2.315 -5.524 34 HA PRO 4 HA PRO 4 -9.301 -9.448 -4.572 35 HB2 PRO 4 HB2 PRO 4 -9.196 -10.078 -7.531 36 HB3 PRO 4 HB3 PRO 4 -9.988 -10.999 -6.212 37 HG2 PRO 4 HG2 PRO 4 -11.468 -9.371 -7.778 38 HG3 PRO 4 HG3 PRO 4 -11.711 -9.342 -5.999 39 HD2 PRO 4 HD2 PRO 4 -10.124 -7.429 -7.715 40 HD3 PRO 4 HD3 PRO 4 -11.253 -7.065 -6.373 41 H GLY 5 H GLY 5 -7.481 -10.385 -3.878 42 HA2 GLY 5 HA2 GLY 5 -5.391 -11.302 -3.850 43 HA3 GLY 5 HA3 GLY 5 -5.216 -10.925 -5.564 44 H TRP 6 H TRP 6 -5.926 -7.970 -3.945 45 HA TRP 6 HA TRP 6 -3.098 -7.217 -3.944 46 HB2 TRP 6 HB2 TRP 6 -5.682 -5.717 -3.585 47 HB3 TRP 6 HB3 TRP 6 -4.106 -4.994 -3.329 48 HD1 TRP 6 HD1 TRP 6 -6.212 -6.533 -6.131 49 HE1 TRP 6 HE1 TRP 6 -5.492 -5.528 -8.389 50 HE3 TRP 6 HE3 TRP 6 -2.049 -4.009 -4.592 51 HZ2 TRP 6 HZ2 TRP 6 -3.392 -3.840 -9.388 52 HZ3 TRP 6 HZ3 TRP 6 -0.662 -2.786 -6.240 53 HH2 TRP 6 HH2 TRP 6 -1.327 -2.662 -8.621 54 H GLU 7 H GLU 7 -1.837 -7.117 -2.204 55 HA GLU 7 HA GLU 7 -2.983 -7.287 0.547 56 HB2 GLU 7 HB2 GLU 7 -0.857 -8.527 1.073 57 HB3 GLU 7 HB3 GLU 7 -1.970 -9.404 0.024 58 HG2 GLU 7 HG2 GLU 7 -0.633 -9.160 -1.876 59 HG3 GLU 7 HG3 GLU 7 0.184 -7.723 -1.259 60 H LYS 8 H LYS 8 -1.632 -6.374 2.240 61 HA LYS 8 HA LYS 8 -0.203 -3.889 1.549 62 HB2 LYS 8 HB2 LYS 8 -1.803 -4.061 3.456 63 HB3 LYS 8 HB3 LYS 8 -0.771 -5.253 4.227 64 HG2 LYS 8 HG2 LYS 8 0.038 -2.366 3.628 65 HG3 LYS 8 HG3 LYS 8 -0.634 -2.944 5.151 66 HD2 LYS 8 HD2 LYS 8 1.406 -4.592 5.200 67 HD3 LYS 8 HD3 LYS 8 2.081 -3.537 3.952 68 HE2 LYS 8 HE2 LYS 8 2.989 -2.752 5.957 69 HE3 LYS 8 HE3 LYS 8 1.753 -1.578 5.491 70 HZ1 LYS 8 HZ1 LYS 8 1.617 -2.130 7.841 71 HZ2 LYS 8 HZ2 LYS 8 0.256 -2.663 7.084 72 HZ3 LYS 8 HZ3 LYS 8 1.434 -3.728 7.507 73 H ARG 9 H ARG 9 1.940 -3.925 1.024 74 HA ARG 9 HA ARG 9 3.663 -6.137 1.990 75 HB2 ARG 9 HB2 ARG 9 2.758 -6.303 -0.343 76 HB3 ARG 9 HB3 ARG 9 3.427 -4.717 -0.701 77 HG2 ARG 9 HG2 ARG 9 4.783 -6.342 -1.676 78 HG3 ARG 9 HG3 ARG 9 5.713 -5.631 -0.374 79 HD2 ARG 9 HD2 ARG 9 6.216 -7.907 -0.196 80 HD3 ARG 9 HD3 ARG 9 5.033 -7.638 1.073 81 HE ARG 9 HE ARG 9 3.408 -8.889 -0.113 82 HH11 ARG 9 HH11 ARG 9 6.155 -8.440 -2.239 83 HH12 ARG 9 HH12 ARG 9 5.670 -9.742 -3.299 84 HH21 ARG 9 HH21 ARG 9 2.847 -10.564 -1.470 85 HH22 ARG 9 HH22 ARG 9 3.899 -10.985 -2.797 86 H MET 10 H MET 10 6.101 -5.442 1.684 87 HA MET 10 HA MET 10 6.586 -2.590 1.912 88 HB2 MET 10 HB2 MET 10 7.587 -2.663 4.129 89 HB3 MET 10 HB3 MET 10 5.892 -3.138 4.198 90 HG2 MET 10 HG2 MET 10 6.615 -5.546 4.239 91 HG3 MET 10 HG3 MET 10 8.291 -4.991 4.341 92 HE1 MET 10 HE1 MET 10 8.700 -6.411 6.498 93 HE2 MET 10 HE2 MET 10 7.643 -6.374 7.928 94 HE3 MET 10 HE3 MET 10 7.030 -7.020 6.388 95 H PHE 11 H PHE 11 8.571 -1.975 1.454 96 HA PHE 11 HA PHE 11 10.570 -3.803 0.357 97 HB2 PHE 11 HB2 PHE 11 10.460 -0.795 0.807 98 HB3 PHE 11 HB3 PHE 11 11.783 -1.654 0.041 99 HD1 PHE 11 HD1 PHE 11 11.332 -3.069 -2.053 100 HD2 PHE 11 HD2 PHE 11 8.646 -0.001 -0.598 101 HE1 PHE 11 HE1 PHE 11 10.300 -2.905 -4.296 102 HE2 PHE 11 HE2 PHE 11 7.673 0.175 -2.877 103 HZ PHE 11 HZ PHE 11 8.484 -1.262 -4.709 104 H ALA 12 H ALA 12 12.372 -4.540 1.473 105 HA ALA 12 HA ALA 12 12.450 -4.493 4.273 106 HB1 ALA 12 HB1 ALA 12 13.403 -6.262 2.847 107 HB2 ALA 12 HB2 ALA 12 14.659 -5.138 2.270 108 HB3 ALA 12 HB3 ALA 12 14.616 -5.631 3.976 109 H ASN 13 H ASN 13 14.022 -2.244 2.004 110 HA ASN 13 HA ASN 13 15.607 -0.890 4.010 111 HB2 ASN 13 HB2 ASN 13 15.920 0.762 2.139 112 HB3 ASN 13 HB3 ASN 13 16.406 -0.885 1.769 113 HD21 ASN 13 HD21 ASN 13 14.819 1.754 0.482 114 H GLY 14 H GLY 14 12.330 -1.101 3.957 115 HA2 GLY 14 HA2 GLY 14 11.049 -0.062 5.552 116 HA3 GLY 14 HA3 GLY 14 12.158 1.305 5.615 117 H THR 15 H THR 15 9.828 -0.192 3.180 118 HA THR 15 HA THR 15 8.327 2.326 3.279 119 HB THR 15 HB THR 15 9.714 1.498 0.716 120 HG1 THR 15 HG1 THR 15 10.331 3.112 2.670 121 HG21 THR 15 HG21 THR 15 7.659 3.708 1.156 122 HG22 THR 15 HG22 THR 15 8.622 3.449 -0.310 123 HG23 THR 15 HG23 THR 15 7.399 2.249 0.163 124 H VAL 16 H VAL 16 6.169 1.963 3.049 125 HA VAL 16 HA VAL 16 5.348 -0.836 2.515 126 HB VAL 16 HB VAL 16 4.192 1.499 4.034 127 HG11 VAL 16 HG11 VAL 16 2.240 0.824 2.700 128 HG12 VAL 16 HG12 VAL 16 2.517 -0.883 3.114 129 HG13 VAL 16 HG13 VAL 16 2.059 0.299 4.365 130 HG21 VAL 16 HG21 VAL 16 4.388 -1.486 4.614 131 HG22 VAL 16 HG22 VAL 16 5.614 -0.291 5.103 132 HG23 VAL 16 HG23 VAL 16 3.977 -0.200 5.776 133 H TYR 17 H TYR 17 3.880 -1.424 1.026 134 HA TYR 17 HA TYR 17 2.552 0.520 -0.697 135 HB2 TYR 17 HB2 TYR 17 3.488 -0.367 -2.767 136 HB3 TYR 17 HB3 TYR 17 4.762 0.276 -1.760 137 HD1 TYR 17 HD1 TYR 17 6.295 -1.171 -0.550 138 HD2 TYR 17 HD2 TYR 17 3.484 -2.777 -3.403 139 HE1 TYR 17 HE1 TYR 17 7.752 -3.146 -0.870 140 HE2 TYR 17 HE2 TYR 17 4.957 -4.737 -3.738 141 HH TYR 17 HH TYR 17 8.148 -4.998 -2.192 142 H TYR 18 H TYR 18 1.357 -0.952 -2.476 143 HA TYR 18 HA TYR 18 0.262 -3.341 -1.108 144 HB2 TYR 18 HB2 TYR 18 -1.217 -1.291 -2.782 145 HB3 TYR 18 HB3 TYR 18 -1.914 -2.763 -2.092 146 HD1 TYR 18 HD1 TYR 18 -2.361 -2.945 0.310 147 HD2 TYR 18 HD2 TYR 18 -0.436 0.558 -1.309 148 HE1 TYR 18 HE1 TYR 18 -2.481 -1.866 2.520 149 HE2 TYR 18 HE2 TYR 18 -0.424 1.603 0.911 150 HH TYR 18 HH TYR 18 -1.878 -0.032 3.782 151 H PHE 19 H PHE 19 0.231 -5.182 -2.218 152 HA PHE 19 HA PHE 19 1.338 -5.184 -5.006 153 HB2 PHE 19 HB2 PHE 19 2.957 -5.724 -3.227 154 HB3 PHE 19 HB3 PHE 19 1.899 -6.971 -2.607 155 HD1 PHE 19 HD1 PHE 19 4.133 -6.019 -5.407 156 HD2 PHE 19 HD2 PHE 19 1.722 -9.168 -3.699 157 HE1 PHE 19 HE1 PHE 19 5.338 -7.667 -6.767 158 HE2 PHE 19 HE2 PHE 19 2.936 -10.829 -5.093 159 HZ PHE 19 HZ PHE 19 4.769 -10.102 -6.590 160 H ASN 20 H ASN 20 0.443 -6.618 -6.478 161 HA ASN 20 HA ASN 20 -1.940 -8.144 -5.577 162 HB2 ASN 20 HB2 ASN 20 -2.161 -6.546 -7.465 163 HB3 ASN 20 HB3 ASN 20 -0.982 -7.484 -8.367 164 HD21 ASN 20 HD22 ASN 20 -4.238 -7.539 -6.940 165 HD22 ASN 20 HD21 ASN 20 -4.805 -8.963 -7.752 166 H HIS 21 H HIS 21 -1.381 -10.138 -4.807 167 HA HIS 21 HA HIS 21 0.948 -11.503 -5.834 168 HB2 HIS 21 HB2 HIS 21 0.686 -13.039 -4.174 169 HB3 HIS 21 HB3 HIS 21 0.016 -11.590 -3.461 170 HD2 HIS 21 HD2 HIS 21 -2.981 -12.017 -4.905 171 HE1 HIS 21 HE1 HIS 21 -3.053 -15.477 -2.419 172 HE2 HIS 21 HE2 HIS 21 -4.486 -13.875 -3.790 173 H ILE 22 H ILE 22 -1.942 -11.224 -7.450 174 HA ILE 22 HA ILE 22 -1.817 -13.939 -8.651 175 HB ILE 22 HB ILE 22 -3.659 -11.654 -9.420 176 HG12 ILE 22 HG12 ILE 22 -4.071 -11.977 -7.062 177 HG13 ILE 22 HG13 ILE 22 -5.422 -12.526 -8.024 178 HG21 ILE 22 HG21 ILE 22 -5.149 -13.524 -10.176 179 HG22 ILE 22 HG22 ILE 22 -3.638 -13.401 -11.071 180 HG23 ILE 22 HG23 ILE 22 -3.823 -14.659 -9.838 181 HD11 ILE 22 HD11 ILE 22 -3.350 -14.352 -6.726 182 HD12 ILE 22 HD12 ILE 22 -4.996 -14.030 -6.140 183 HD13 ILE 22 HD13 ILE 22 -4.761 -14.886 -7.670 184 H THR 23 H THR 23 -0.775 -10.641 -9.218 185 HA THR 23 HA THR 23 0.063 -11.315 -12.031 186 HB THR 23 HB THR 23 -0.496 -8.984 -12.617 187 HG1 THR 23 HG1 THR 23 -1.730 -8.883 -10.071 188 HG21 THR 23 HG21 THR 23 -2.903 -10.355 -11.344 189 HG22 THR 23 HG22 THR 23 -2.912 -9.109 -12.607 190 HG23 THR 23 HG23 THR 23 -2.243 -10.715 -12.953 191 H ASN 24 H ASN 24 1.211 -10.089 -9.003 192 HA ASN 24 HA ASN 24 3.083 -9.140 -8.341 193 HB2 ASN 24 HB2 ASN 24 4.087 -10.756 -10.125 194 HB3 ASN 24 HB3 ASN 24 4.348 -9.303 -11.085 195 HD21 ASN 24 HD22 ASN 24 5.465 -7.462 -9.612 196 HD22 ASN 24 HD21 ASN 24 6.939 -8.104 -8.850 197 H ALA 25 H ALA 25 0.782 -7.593 -9.992 198 HA ALA 25 HA ALA 25 2.091 -5.096 -10.614 199 HB1 ALA 25 HB1 ALA 25 -0.782 -5.634 -9.742 200 HB2 ALA 25 HB2 ALA 25 -0.175 -4.178 -10.552 201 HB3 ALA 25 HB3 ALA 25 -0.178 -5.730 -11.411 202 H SER 26 H SER 26 2.016 -3.082 -9.312 203 HA SER 26 HA SER 26 1.626 -3.373 -6.409 204 HB2 SER 26 HB2 SER 26 3.865 -2.510 -5.906 205 HB3 SER 26 HB3 SER 26 3.965 -4.055 -6.739 206 HG SER 26 HG SER 26 3.988 -1.635 -8.205 207 H GLN 27 H GLN 27 1.060 -1.453 -5.403 208 HA GLN 27 HA GLN 27 1.487 1.123 -6.813 209 HB2 GLN 27 HB2 GLN 27 -0.760 1.861 -6.444 210 HB3 GLN 27 HB3 GLN 27 -0.847 0.329 -7.313 211 HG2 GLN 27 HG2 GLN 27 -1.382 -0.837 -5.156 212 HG3 GLN 27 HG3 GLN 27 -1.274 0.701 -4.303 213 HE21 GLN 27 HE22 GLN 27 -3.364 1.203 -3.628 214 HE22 GLN 27 HE21 GLN 27 -4.704 1.139 -4.791 215 H PHE 28 H PHE 28 1.574 2.977 -5.316 216 HA PHE 28 HA PHE 28 2.149 2.201 -2.518 217 HB2 PHE 28 HB2 PHE 28 2.403 4.821 -4.021 218 HB3 PHE 28 HB3 PHE 28 2.757 4.617 -2.309 219 HD1 PHE 28 HD1 PHE 28 4.484 2.803 -1.603 220 HD2 PHE 28 HD2 PHE 28 4.133 4.347 -5.626 221 HE1 PHE 28 HE1 PHE 28 6.774 2.073 -2.085 222 HE2 PHE 28 HE2 PHE 28 6.437 3.574 -6.111 223 HZ PHE 28 HZ PHE 28 7.770 2.434 -4.348 224 H GLU 29 H GLU 29 -0.641 3.390 -4.280 225 HA GLU 29 HA GLU 29 -1.690 4.958 -2.150 226 HB2 GLU 29 HB2 GLU 29 -2.428 4.450 -4.820 227 HB3 GLU 29 HB3 GLU 29 -3.784 3.836 -3.881 228 HG2 GLU 29 HG2 GLU 29 -2.582 6.632 -3.686 229 HG3 GLU 29 HG3 GLU 29 -4.066 6.202 -4.530 230 H ARG 30 H ARG 30 -3.002 4.563 -0.556 231 HA ARG 30 HA ARG 30 -3.144 1.768 0.407 232 HB2 ARG 30 HB2 ARG 30 -3.319 2.868 2.713 233 HB3 ARG 30 HB3 ARG 30 -1.807 2.954 1.854 234 HG2 ARG 30 HG2 ARG 30 -2.085 4.960 2.954 235 HG3 ARG 30 HG3 ARG 30 -2.203 5.281 1.239 236 HD2 ARG 30 HD2 ARG 30 -4.735 4.835 2.870 237 HD3 ARG 30 HD3 ARG 30 -3.839 6.347 3.085 238 HE ARG 30 HE ARG 30 -4.191 6.053 0.292 239 HH11 ARG 30 HH11 ARG 30 -6.234 6.609 3.062 240 HH12 ARG 30 HH12 ARG 30 -7.417 7.500 2.129 241 HH21 ARG 30 HH21 ARG 30 -5.709 7.049 -0.875 242 HH22 ARG 30 HH22 ARG 30 -7.034 7.874 -0.059 243 HA PRO 31 HA PRO 31 -7.439 1.181 0.626 244 HB2 PRO 31 HB2 PRO 31 -7.133 0.941 3.626 245 HB3 PRO 31 HB3 PRO 31 -8.120 -0.064 2.513 246 HG2 PRO 31 HG2 PRO 31 -5.705 -0.934 3.300 247 HG3 PRO 31 HG3 PRO 31 -6.172 -1.072 1.583 248 HD2 PRO 31 HD2 PRO 31 -4.359 0.949 2.883 249 HD3 PRO 31 HD3 PRO 31 -4.208 0.133 1.293 250 H SER 32 H SER 32 -9.460 1.890 1.398 251 HA SER 32 HA SER 32 -9.857 4.144 3.169 252 HB2 SER 32 HB2 SER 32 -10.602 4.769 0.290 253 HB3 SER 32 HB3 SER 32 -10.556 5.850 1.680 254 HG SER 32 HG SER 32 -8.135 4.942 1.509 255 H GLY 33 H GLY 33 -10.799 1.328 2.485 256 HA2 GLY 33 HA2 GLY 33 -13.042 0.534 3.107 257 HA3 GLY 33 HA3 GLY 33 -13.680 1.674 1.894 258 H1 NAG 101 H1 NAG 34 12.410 0.504 -0.243 259 H2 NAG 101 H2 NAG 34 13.664 3.066 -1.378 260 H3 NAG 101 H3 NAG 34 10.797 2.018 -1.276 261 H4 NAG 101 H4 NAG 34 12.653 2.534 -3.658 262 H5 NAG 101 H5 NAG 34 11.552 -0.038 -2.461 263 H61 NAG 101 H61 NAG 34 12.903 -1.295 -3.981 264 H62 NAG 101 H62 NAG 34 11.979 -0.159 -4.967 265 H81 NAG 101 H2M NAG 34 12.176 5.058 2.161 266 H82 NAG 101 H3M NAG 34 13.859 5.179 2.707 267 H83 NAG 101 H1M NAG 34 12.867 3.805 3.223 268 HN2 NAG 101 H2N NAG 34 11.623 3.229 0.741 269 HO3 NAG 101 H3O NAG 34 11.103 4.413 -1.141 270 HO4 NAG 101 H4O NAG 34 10.325 2.886 -3.710 271 HO6 NAG 101 H6O NAG 34 14.584 0.354 -3.914 Start of MODEL 14 1 H1 LYS 1 H1 LYS 1 -12.211 -0.647 1.410 2 H2 LYS 1 H2 LYS 1 -11.297 -0.301 2.703 3 H3 LYS 1 H3 LYS 1 -12.907 -0.612 2.923 4 HA LYS 1 HA LYS 1 -11.303 -2.457 3.530 5 HB2 LYS 1 HB2 LYS 1 -13.526 -2.948 1.503 6 HB3 LYS 1 HB3 LYS 1 -12.691 -4.234 2.366 7 HG2 LYS 1 HG2 LYS 1 -14.299 -2.020 3.715 8 HG3 LYS 1 HG3 LYS 1 -14.891 -3.639 3.342 9 HD2 LYS 1 HD2 LYS 1 -13.095 -4.615 4.813 10 HD3 LYS 1 HD3 LYS 1 -12.586 -2.973 5.228 11 HE2 LYS 1 HE2 LYS 1 -13.963 -3.737 7.013 12 HE3 LYS 1 HE3 LYS 1 -14.875 -2.510 6.128 13 HZ1 LYS 1 HZ1 LYS 1 -16.241 -4.435 6.645 14 HZ2 LYS 1 HZ2 LYS 1 -16.069 -4.317 5.015 15 HZ3 LYS 1 HZ3 LYS 1 -15.216 -5.444 5.852 16 H LEU 2 H LEU 2 -9.574 -3.665 2.856 17 HA LEU 2 HA LEU 2 -8.143 -3.098 0.528 18 HB2 LEU 2 HB2 LEU 2 -7.426 -4.098 2.755 19 HB3 LEU 2 HB3 LEU 2 -8.152 -5.616 2.249 20 HG LEU 2 HG LEU 2 -6.503 -5.749 0.372 21 HD11 LEU 2 HD11 LEU 2 -5.325 -3.244 1.656 22 HD12 LEU 2 HD12 LEU 2 -4.543 -4.258 0.413 23 HD13 LEU 2 HD13 LEU 2 -6.006 -3.368 0.023 24 HD21 LEU 2 HD21 LEU 2 -5.376 -5.304 3.181 25 HD22 LEU 2 HD22 LEU 2 -6.013 -6.828 2.518 26 HD23 LEU 2 HD23 LEU 2 -4.525 -6.130 1.868 27 HA PRO 3 HA PRO 3 -10.975 -5.327 -2.100 28 HB2 PRO 3 HB2 PRO 3 -10.008 -4.754 -4.596 29 HB3 PRO 3 HB3 PRO 3 -10.746 -3.523 -3.525 30 HG2 PRO 3 HG2 PRO 3 -7.800 -4.146 -3.887 31 HG3 PRO 3 HG3 PRO 3 -8.607 -2.549 -3.963 32 HD2 PRO 3 HD2 PRO 3 -7.389 -3.469 -1.699 33 HD3 PRO 3 HD3 PRO 3 -8.889 -2.488 -1.621 34 HA PRO 4 HA PRO 4 -9.712 -9.431 -3.084 35 HB2 PRO 4 HB2 PRO 4 -10.877 -8.934 -5.836 36 HB3 PRO 4 HB3 PRO 4 -11.061 -10.373 -4.780 37 HG2 PRO 4 HG2 PRO 4 -13.016 -8.508 -4.865 38 HG3 PRO 4 HG3 PRO 4 -12.495 -9.174 -3.283 39 HD2 PRO 4 HD2 PRO 4 -11.750 -6.537 -4.551 40 HD3 PRO 4 HD3 PRO 4 -12.161 -6.911 -2.849 41 H GLY 5 H GLY 5 -7.841 -10.347 -3.621 42 HA2 GLY 5 HA2 GLY 5 -6.005 -10.987 -4.858 43 HA3 GLY 5 HA3 GLY 5 -6.493 -9.883 -6.146 44 H TRP 6 H TRP 6 -6.453 -7.676 -3.753 45 HA TRP 6 HA TRP 6 -3.574 -7.077 -3.975 46 HB2 TRP 6 HB2 TRP 6 -5.994 -5.488 -3.090 47 HB3 TRP 6 HB3 TRP 6 -4.340 -4.929 -2.966 48 HD1 TRP 6 HD1 TRP 6 -7.011 -5.709 -5.582 49 HE1 TRP 6 HE1 TRP 6 -6.391 -4.559 -7.803 50 HE3 TRP 6 HE3 TRP 6 -2.276 -4.173 -4.406 51 HZ2 TRP 6 HZ2 TRP 6 -4.087 -3.226 -8.947 52 HZ3 TRP 6 HZ3 TRP 6 -0.870 -3.018 -6.103 53 HH2 TRP 6 HH2 TRP 6 -1.766 -2.546 -8.358 54 H GLU 7 H GLU 7 -2.172 -7.106 -2.257 55 HA GLU 7 HA GLU 7 -3.364 -7.196 0.443 56 HB2 GLU 7 HB2 GLU 7 -1.732 -8.810 1.194 57 HB3 GLU 7 HB3 GLU 7 -2.862 -9.481 0.019 58 HG2 GLU 7 HG2 GLU 7 -1.177 -9.394 -1.754 59 HG3 GLU 7 HG3 GLU 7 -0.051 -8.555 -0.689 60 H LYS 8 H LYS 8 -1.902 -6.549 2.164 61 HA LYS 8 HA LYS 8 -0.474 -4.109 1.454 62 HB2 LYS 8 HB2 LYS 8 -2.072 -4.511 3.408 63 HB3 LYS 8 HB3 LYS 8 -0.798 -5.471 4.164 64 HG2 LYS 8 HG2 LYS 8 0.686 -3.425 4.087 65 HG3 LYS 8 HG3 LYS 8 -0.678 -2.495 3.456 66 HD2 LYS 8 HD2 LYS 8 -0.602 -3.978 6.118 67 HD3 LYS 8 HD3 LYS 8 -0.332 -2.253 5.940 68 HE2 LYS 8 HE2 LYS 8 -2.936 -3.551 5.031 69 HE3 LYS 8 HE3 LYS 8 -2.666 -3.126 6.719 70 HZ1 LYS 8 HZ1 LYS 8 -2.487 -1.169 4.499 71 HZ2 LYS 8 HZ2 LYS 8 -3.811 -1.350 5.458 72 HZ3 LYS 8 HZ3 LYS 8 -2.380 -0.845 6.103 73 H ARG 9 H ARG 9 1.795 -3.782 1.351 74 HA ARG 9 HA ARG 9 3.602 -5.958 2.187 75 HB2 ARG 9 HB2 ARG 9 2.571 -5.723 -0.325 76 HB3 ARG 9 HB3 ARG 9 3.704 -4.394 -0.409 77 HG2 ARG 9 HG2 ARG 9 4.864 -6.077 -1.295 78 HG3 ARG 9 HG3 ARG 9 5.482 -6.192 0.350 79 HD2 ARG 9 HD2 ARG 9 3.694 -8.014 -1.235 80 HD3 ARG 9 HD3 ARG 9 5.104 -8.428 -0.251 81 HE ARG 9 HE ARG 9 2.972 -7.457 1.435 82 HH11 ARG 9 HH12 ARG 9 3.499 -10.232 -0.613 83 HH12 ARG 9 HH11 ARG 9 1.951 -10.895 -0.156 84 HH21 ARG 9 HH21 ARG 9 1.349 -8.465 2.256 85 HH22 ARG 9 HH22 ARG 9 0.890 -10.076 1.664 86 H MET 10 H MET 10 5.954 -5.187 1.945 87 HA MET 10 HA MET 10 6.326 -2.316 2.236 88 HB2 MET 10 HB2 MET 10 5.646 -3.243 4.540 89 HB3 MET 10 HB3 MET 10 7.149 -4.172 4.508 90 HG2 MET 10 HG2 MET 10 8.370 -1.950 4.175 91 HG3 MET 10 HG3 MET 10 6.822 -1.152 4.393 92 HE1 MET 10 HE1 MET 10 8.771 -4.124 6.231 93 HE2 MET 10 HE2 MET 10 9.909 -2.781 5.974 94 HE3 MET 10 HE3 MET 10 9.393 -3.209 7.620 95 H PHE 11 H PHE 11 8.305 -1.679 1.661 96 HA PHE 11 HA PHE 11 10.331 -3.510 0.627 97 HB2 PHE 11 HB2 PHE 11 10.211 -0.498 1.054 98 HB3 PHE 11 HB3 PHE 11 11.554 -1.355 0.315 99 HD1 PHE 11 HD2 PHE 11 11.212 -2.727 -1.780 100 HD2 PHE 11 HD1 PHE 11 8.324 0.166 -0.353 101 HE1 PHE 11 HE2 PHE 11 10.169 -2.662 -4.025 102 HE2 PHE 11 HE1 PHE 11 7.306 0.205 -2.625 103 HZ PHE 11 HZ PHE 11 8.220 -1.180 -4.443 104 H ALA 12 H ALA 12 12.206 -4.176 1.716 105 HA ALA 12 HA ALA 12 12.215 -4.254 4.508 106 HB1 ALA 12 HB1 ALA 12 14.524 -4.645 2.553 107 HB2 ALA 12 HB2 ALA 12 14.462 -5.229 4.230 108 HB3 ALA 12 HB3 ALA 12 13.330 -5.878 3.029 109 H ASN 13 H ASN 13 13.762 -1.846 2.398 110 HA ASN 13 HA ASN 13 15.171 -0.454 4.502 111 HB2 ASN 13 HB2 ASN 13 15.484 1.242 2.664 112 HB3 ASN 13 HB3 ASN 13 16.074 -0.372 2.304 113 HD21 ASN 13 HD21 ASN 13 14.452 2.189 0.943 114 H GLY 14 H GLY 14 11.917 -0.816 4.297 115 HA2 GLY 14 HA2 GLY 14 10.489 0.127 5.815 116 HA3 GLY 14 HA3 GLY 14 11.547 1.525 6.002 117 H THR 15 H THR 15 9.365 0.054 3.426 118 HA THR 15 HA THR 15 7.830 2.548 3.497 119 HB THR 15 HB THR 15 9.285 1.783 0.954 120 HG1 THR 15 HG1 THR 15 9.858 3.357 2.978 121 HG21 THR 15 HG21 THR 15 8.213 3.748 -0.044 122 HG22 THR 15 HG22 THR 15 6.956 2.587 0.438 123 HG23 THR 15 HG23 THR 15 7.274 4.029 1.434 124 H VAL 16 H VAL 16 5.692 2.129 3.251 125 HA VAL 16 HA VAL 16 4.966 -0.679 2.690 126 HB VAL 16 HB VAL 16 3.619 1.629 4.111 127 HG11 VAL 16 HG11 VAL 16 2.273 -1.010 3.368 128 HG12 VAL 16 HG12 VAL 16 1.662 0.164 4.551 129 HG13 VAL 16 HG13 VAL 16 1.767 0.617 2.853 130 HG21 VAL 16 HG21 VAL 16 3.565 -0.003 5.965 131 HG22 VAL 16 HG22 VAL 16 4.251 -1.249 4.903 132 HG23 VAL 16 HG23 VAL 16 5.216 0.180 5.363 133 H TYR 17 H TYR 17 3.545 -1.331 1.181 134 HA TYR 17 HA TYR 17 2.193 0.564 -0.598 135 HB2 TYR 17 HB2 TYR 17 3.221 -0.299 -2.626 136 HB3 TYR 17 HB3 TYR 17 4.456 0.351 -1.575 137 HD1 TYR 17 HD1 TYR 17 5.963 -1.100 -0.304 138 HD2 TYR 17 HD2 TYR 17 3.274 -2.713 -3.264 139 HE1 TYR 17 HE1 TYR 17 7.462 -3.042 -0.600 140 HE2 TYR 17 HE2 TYR 17 4.750 -4.692 -3.531 141 HH TYR 17 HH TYR 17 7.902 -4.913 -1.866 142 H TYR 18 H TYR 18 1.009 -0.825 -2.350 143 HA TYR 18 HA TYR 18 -0.068 -3.311 -1.136 144 HB2 TYR 18 HB2 TYR 18 -1.337 -1.220 -2.944 145 HB3 TYR 18 HB3 TYR 18 -2.091 -2.761 -2.499 146 HD1 TYR 18 HD1 TYR 18 -2.579 -3.326 -0.160 147 HD2 TYR 18 HD2 TYR 18 -1.020 0.556 -1.248 148 HE1 TYR 18 HE1 TYR 18 -3.074 -2.490 2.118 149 HE2 TYR 18 HE2 TYR 18 -1.323 1.326 1.054 150 HH TYR 18 HH TYR 18 -3.529 -0.102 3.103 151 H PHE 19 H PHE 19 -0.009 -5.127 -2.156 152 HA PHE 19 HA PHE 19 1.276 -5.283 -4.837 153 HB2 PHE 19 HB2 PHE 19 2.752 -5.808 -2.951 154 HB3 PHE 19 HB3 PHE 19 1.599 -6.959 -2.316 155 HD1 PHE 19 HD1 PHE 19 3.912 -6.221 -5.129 156 HD2 PHE 19 HD2 PHE 19 1.446 -9.233 -3.235 157 HE1 PHE 19 HE1 PHE 19 5.038 -7.966 -6.443 158 HE2 PHE 19 HE2 PHE 19 2.580 -10.984 -4.570 159 HZ PHE 19 HZ PHE 19 4.375 -10.368 -6.174 160 H ASN 20 H ASN 20 -0.117 -6.046 -6.305 161 HA ASN 20 HA ASN 20 -2.462 -7.592 -5.596 162 HB2 ASN 20 HB2 ASN 20 -2.380 -5.952 -7.483 163 HB3 ASN 20 HB3 ASN 20 -1.226 -6.990 -8.293 164 HD21 ASN 20 HD22 ASN 20 -4.652 -6.639 -7.331 165 HD22 ASN 20 HD21 ASN 20 -5.159 -8.046 -8.253 166 H HIS 21 H HIS 21 -1.964 -9.580 -4.690 167 HA HIS 21 HA HIS 21 0.278 -11.162 -5.585 168 HB2 HIS 21 HB2 HIS 21 -0.463 -12.732 -3.908 169 HB3 HIS 21 HB3 HIS 21 -0.498 -11.098 -3.287 170 HD2 HIS 21 HD2 HIS 21 -2.975 -13.800 -4.577 171 HE1 HIS 21 HE1 HIS 21 -5.082 -11.240 -1.883 172 HE2 HIS 21 HE2 HIS 21 -5.243 -13.377 -3.294 173 H ILE 22 H ILE 22 -2.482 -10.648 -7.346 174 HA ILE 22 HA ILE 22 -2.546 -13.431 -8.418 175 HB ILE 22 HB ILE 22 -4.349 -11.033 -8.927 176 HG12 ILE 22 HG12 ILE 22 -4.764 -13.630 -7.374 177 HG13 ILE 22 HG13 ILE 22 -4.639 -12.012 -6.689 178 HG21 ILE 22 HG21 ILE 22 -4.222 -12.410 -10.964 179 HG22 ILE 22 HG22 ILE 22 -4.555 -13.875 -10.014 180 HG23 ILE 22 HG23 ILE 22 -5.785 -12.603 -10.210 181 HD11 ILE 22 HD11 ILE 22 -6.935 -12.582 -6.655 182 HD12 ILE 22 HD12 ILE 22 -6.742 -11.381 -7.951 183 HD13 ILE 22 HD13 ILE 22 -6.932 -13.110 -8.339 184 H THR 23 H THR 23 -1.171 -10.291 -9.003 185 HA THR 23 HA THR 23 -0.279 -11.139 -11.754 186 HB THR 23 HB THR 23 -0.493 -8.768 -12.414 187 HG1 THR 23 HG1 THR 23 -1.903 -8.464 -9.977 188 HG21 THR 23 HG21 THR 23 -2.401 -10.289 -12.868 189 HG22 THR 23 HG22 THR 23 -3.130 -9.839 -11.313 190 HG23 THR 23 HG23 THR 23 -2.912 -8.614 -12.580 191 H ASN 24 H ASN 24 0.704 -9.743 -8.725 192 HA ASN 24 HA ASN 24 2.617 -9.159 -7.841 193 HB2 ASN 24 HB2 ASN 24 4.093 -9.295 -10.491 194 HB3 ASN 24 HB3 ASN 24 4.775 -9.219 -8.879 195 HD21 ASN 24 HD22 ASN 24 3.135 -11.277 -11.194 196 HD22 ASN 24 HD21 ASN 24 3.588 -12.797 -10.391 197 H ALA 25 H ALA 25 0.666 -7.349 -9.738 198 HA ALA 25 HA ALA 25 2.281 -5.050 -10.290 199 HB1 ALA 25 HB1 ALA 25 -0.720 -5.262 -9.775 200 HB2 ALA 25 HB2 ALA 25 0.122 -3.912 -10.557 201 HB3 ALA 25 HB3 ALA 25 0.084 -5.504 -11.343 202 H SER 26 H SER 26 3.051 -3.441 -8.950 203 HA SER 26 HA SER 26 2.105 -3.387 -6.130 204 HB2 SER 26 HB2 SER 26 4.369 -2.679 -5.555 205 HB3 SER 26 HB3 SER 26 4.379 -4.248 -6.353 206 HG SER 26 HG SER 26 4.635 -1.816 -7.792 207 H GLN 27 H GLN 27 1.172 -1.531 -5.447 208 HA GLN 27 HA GLN 27 1.915 1.074 -6.703 209 HB2 GLN 27 HB2 GLN 27 -0.872 -0.097 -6.319 210 HB3 GLN 27 HB3 GLN 27 -0.583 1.639 -6.447 211 HG2 GLN 27 HG2 GLN 27 0.477 1.344 -8.656 212 HG3 GLN 27 HG3 GLN 27 0.233 -0.407 -8.558 213 HE21 GLN 27 HE22 GLN 27 -1.614 2.746 -8.545 214 HE22 GLN 27 HE21 GLN 27 -3.014 1.982 -9.325 215 H PHE 28 H PHE 28 1.666 2.898 -5.273 216 HA PHE 28 HA PHE 28 2.010 2.160 -2.406 217 HB2 PHE 28 HB2 PHE 28 2.325 4.778 -3.931 218 HB3 PHE 28 HB3 PHE 28 2.585 4.574 -2.199 219 HD1 PHE 28 HD2 PHE 28 4.341 2.914 -1.384 220 HD2 PHE 28 HD1 PHE 28 4.085 4.229 -5.484 221 HE1 PHE 28 HE2 PHE 28 6.644 2.150 -1.768 222 HE2 PHE 28 HE1 PHE 28 6.412 3.457 -5.871 223 HZ PHE 28 HZ PHE 28 7.705 2.411 -4.019 224 H GLU 29 H GLU 29 -0.122 3.749 -4.638 225 HA GLU 29 HA GLU 29 -1.840 5.240 -3.081 226 HB2 GLU 29 HB2 GLU 29 -2.690 3.589 -5.502 227 HB3 GLU 29 HB3 GLU 29 -3.392 5.086 -4.901 228 HG2 GLU 29 HG2 GLU 29 -2.164 5.881 -6.672 229 HG3 GLU 29 HG3 GLU 29 -0.999 6.107 -5.373 230 H ARG 30 H ARG 30 -2.833 4.638 -1.261 231 HA ARG 30 HA ARG 30 -3.280 1.952 -0.537 232 HB2 ARG 30 HB2 ARG 30 -2.614 3.637 1.027 233 HB3 ARG 30 HB3 ARG 30 -4.108 4.568 0.775 234 HG2 ARG 30 HG2 ARG 30 -5.448 2.759 1.758 235 HG3 ARG 30 HG3 ARG 30 -4.019 1.723 1.830 236 HD2 ARG 30 HD2 ARG 30 -2.980 3.364 3.433 237 HD3 ARG 30 HD3 ARG 30 -4.505 4.279 3.405 238 HE ARG 30 HE ARG 30 -4.729 1.409 4.024 239 HH11 ARG 30 HH11 ARG 30 -4.464 4.572 5.498 240 HH12 ARG 30 HH12 ARG 30 -5.071 4.035 7.044 241 HH21 ARG 30 HH21 ARG 30 -5.450 0.719 6.013 242 HH22 ARG 30 HH22 ARG 30 -5.649 1.875 7.316 243 HA PRO 31 HA PRO 31 -7.443 1.867 -2.283 244 HB2 PRO 31 HB2 PRO 31 -7.765 -0.671 -2.778 245 HB3 PRO 31 HB3 PRO 31 -6.525 0.334 -3.602 246 HG2 PRO 31 HG2 PRO 31 -6.102 -1.554 -1.248 247 HG3 PRO 31 HG3 PRO 31 -5.157 -1.513 -2.772 248 HD2 PRO 31 HD2 PRO 31 -4.476 -0.156 -0.427 249 HD3 PRO 31 HD3 PRO 31 -3.967 0.349 -2.058 250 H SER 32 H SER 32 -7.580 2.515 -0.147 251 HA SER 32 HA SER 32 -8.755 2.757 1.934 252 HB2 SER 32 HB2 SER 32 -11.081 2.159 1.794 253 HB3 SER 32 HB3 SER 32 -10.522 2.665 0.194 254 HG SER 32 HG SER 32 -10.090 0.205 0.001 255 H GLY 33 H GLY 33 -6.780 0.533 2.054 256 HA2 GLY 33 HA2 GLY 33 -7.800 -0.816 4.481 257 HA3 GLY 33 HA3 GLY 33 -7.186 -1.818 3.151 258 H1 NAG 101 H1 NAG 34 12.108 0.866 0.146 259 H2 NAG 101 H2 NAG 34 13.321 3.466 -0.956 260 H3 NAG 101 H3 NAG 34 10.485 2.330 -0.929 261 H4 NAG 101 H4 NAG 34 12.385 2.909 -3.259 262 H5 NAG 101 H5 NAG 34 11.335 0.293 -2.109 263 H61 NAG 101 H61 NAG 34 12.752 -0.905 -3.603 264 H62 NAG 101 H62 NAG 34 11.868 0.242 -4.614 265 H81 NAG 101 H2M NAG 34 11.693 5.422 2.547 266 H82 NAG 101 H3M NAG 34 13.348 5.539 3.178 267 H83 NAG 101 H1M NAG 34 12.335 4.151 3.617 268 HN2 NAG 101 H2N NAG 34 11.222 3.568 1.107 269 HO3 NAG 101 H3O NAG 34 10.701 4.728 -0.783 270 HO4 NAG 101 H4O NAG 34 10.050 3.183 -3.377 271 HO6 NAG 101 H6O NAG 34 14.398 0.780 -3.409 Start of MODEL 15 1 H1 LYS 1 H1 LYS 1 -7.007 3.789 -2.325 2 H2 LYS 1 H2 LYS 1 -6.964 3.044 -0.853 3 H3 LYS 1 H3 LYS 1 -7.888 4.379 -1.086 4 HA LYS 1 HA LYS 1 -9.279 2.378 -1.074 5 HB2 LYS 1 HB2 LYS 1 -8.991 3.767 -3.764 6 HB3 LYS 1 HB3 LYS 1 -10.365 2.764 -3.314 7 HG2 LYS 1 HG2 LYS 1 -11.259 4.303 -1.871 8 HG3 LYS 1 HG3 LYS 1 -9.732 4.968 -1.389 9 HD2 LYS 1 HD2 LYS 1 -11.321 5.605 -3.870 10 HD3 LYS 1 HD3 LYS 1 -10.899 6.672 -2.542 11 HE2 LYS 1 HE2 LYS 1 -9.106 5.662 -4.779 12 HE3 LYS 1 HE3 LYS 1 -9.634 7.310 -4.464 13 HZ1 LYS 1 HZ1 LYS 1 -8.236 6.549 -2.174 14 HZ2 LYS 1 HZ2 LYS 1 -7.385 5.907 -3.413 15 HZ3 LYS 1 HZ3 LYS 1 -7.690 7.517 -3.395 16 H LEU 2 H LEU 2 -7.938 0.451 -0.769 17 HA LEU 2 HA LEU 2 -6.129 -0.561 -2.595 18 HB2 LEU 2 HB2 LEU 2 -6.278 -1.190 -0.265 19 HB3 LEU 2 HB3 LEU 2 -7.860 -1.929 -0.502 20 HG LEU 2 HG LEU 2 -6.834 -3.730 -1.835 21 HD11 LEU 2 HD11 LEU 2 -4.345 -3.890 -1.913 22 HD12 LEU 2 HD12 LEU 2 -5.010 -2.637 -2.942 23 HD13 LEU 2 HD13 LEU 2 -4.271 -2.184 -1.396 24 HD21 LEU 2 HD21 LEU 2 -5.636 -4.871 -0.135 25 HD22 LEU 2 HD22 LEU 2 -5.337 -3.352 0.727 26 HD23 LEU 2 HD23 LEU 2 -6.992 -3.995 0.580 27 HA PRO 3 HA PRO 3 -9.093 -2.203 -5.637 28 HB2 PRO 3 HB2 PRO 3 -7.298 -3.040 -7.571 29 HB3 PRO 3 HB3 PRO 3 -7.837 -1.350 -7.346 30 HG2 PRO 3 HG2 PRO 3 -5.332 -2.654 -6.244 31 HG3 PRO 3 HG3 PRO 3 -5.466 -1.101 -7.130 32 HD2 PRO 3 HD2 PRO 3 -5.332 -1.181 -4.450 33 HD3 PRO 3 HD3 PRO 3 -6.453 -0.052 -5.251 34 HA PRO 4 HA PRO 4 -9.234 -6.416 -4.507 35 HB2 PRO 4 HB2 PRO 4 -10.589 -7.647 -6.564 36 HB3 PRO 4 HB3 PRO 4 -11.341 -6.498 -5.416 37 HG2 PRO 4 HG2 PRO 4 -10.259 -5.918 -8.188 38 HG3 PRO 4 HG3 PRO 4 -11.837 -5.430 -7.490 39 HD2 PRO 4 HD2 PRO 4 -9.714 -3.737 -7.538 40 HD3 PRO 4 HD3 PRO 4 -10.827 -3.774 -6.136 41 H GLY 5 H GLY 5 -7.820 -8.048 -4.424 42 HA2 GLY 5 HA2 GLY 5 -6.487 -9.803 -5.300 43 HA3 GLY 5 HA3 GLY 5 -6.296 -8.925 -6.818 44 H TRP 6 H TRP 6 -5.746 -6.461 -4.722 45 HA TRP 6 HA TRP 6 -2.837 -6.914 -4.610 46 HB2 TRP 6 HB2 TRP 6 -4.644 -4.518 -4.364 47 HB3 TRP 6 HB3 TRP 6 -3.005 -4.481 -3.777 48 HD1 TRP 6 HD1 TRP 6 -1.187 -3.805 -5.319 49 HE1 TRP 6 HE1 TRP 6 -0.938 -3.322 -7.810 50 HE3 TRP 6 HE3 TRP 6 -5.765 -5.429 -6.899 51 HZ2 TRP 6 HZ2 TRP 6 -2.589 -3.462 -10.184 52 HZ3 TRP 6 HZ3 TRP 6 -6.426 -5.212 -9.273 53 HH2 TRP 6 HH2 TRP 6 -4.848 -4.228 -10.931 54 H GLU 7 H GLU 7 -1.719 -7.288 -2.790 55 HA GLU 7 HA GLU 7 -3.122 -7.360 -0.163 56 HB2 GLU 7 HB2 GLU 7 -3.037 -9.462 -1.394 57 HB3 GLU 7 HB3 GLU 7 -1.296 -9.373 -1.551 58 HG2 GLU 7 HG2 GLU 7 -2.685 -9.405 1.160 59 HG3 GLU 7 HG3 GLU 7 -2.425 -10.893 0.254 60 H LYS 8 H LYS 8 -1.941 -6.702 1.667 61 HA LYS 8 HA LYS 8 -0.061 -4.715 1.226 62 HB2 LYS 8 HB2 LYS 8 -0.158 -4.221 3.429 63 HB3 LYS 8 HB3 LYS 8 -1.675 -5.073 3.214 64 HG2 LYS 8 HG2 LYS 8 0.861 -6.243 4.437 65 HG3 LYS 8 HG3 LYS 8 -0.477 -5.578 5.336 66 HD2 LYS 8 HD2 LYS 8 -1.871 -7.357 4.993 67 HD3 LYS 8 HD3 LYS 8 -1.177 -7.806 3.437 68 HE2 LYS 8 HE2 LYS 8 0.443 -8.072 5.985 69 HE3 LYS 8 HE3 LYS 8 -0.710 -9.329 5.493 70 HZ1 LYS 8 HZ1 LYS 8 1.362 -8.358 3.619 71 HZ2 LYS 8 HZ2 LYS 8 1.593 -9.692 4.611 72 HZ3 LYS 8 HZ3 LYS 8 0.403 -9.629 3.460 73 H ARG 9 H ARG 9 2.056 -4.331 1.433 74 HA ARG 9 HA ARG 9 3.987 -6.407 2.324 75 HB2 ARG 9 HB2 ARG 9 4.132 -4.834 -0.263 76 HB3 ARG 9 HB3 ARG 9 5.376 -5.950 0.312 77 HG2 ARG 9 HG2 ARG 9 2.637 -6.651 -0.743 78 HG3 ARG 9 HG3 ARG 9 4.186 -6.918 -1.528 79 HD2 ARG 9 HD2 ARG 9 4.869 -8.619 -0.062 80 HD3 ARG 9 HD3 ARG 9 3.695 -8.161 1.154 81 HE ARG 9 HE ARG 9 1.963 -9.310 0.037 82 HH11 ARG 9 HH11 ARG 9 4.807 -9.450 -2.029 83 HH12 ARG 9 HH12 ARG 9 4.012 -10.546 -3.132 84 HH21 ARG 9 HH21 ARG 9 1.154 -10.655 -1.124 85 HH22 ARG 9 HH22 ARG 9 1.920 -11.410 -2.551 86 H MET 10 H MET 10 6.284 -5.387 2.200 87 HA MET 10 HA MET 10 6.426 -2.518 2.730 88 HB2 MET 10 HB2 MET 10 5.681 -3.671 4.860 89 HB3 MET 10 HB3 MET 10 7.206 -4.555 4.861 90 HG2 MET 10 HG2 MET 10 8.449 -2.454 5.113 91 HG3 MET 10 HG3 MET 10 6.961 -1.521 4.883 92 HE1 MET 10 HE1 MET 10 6.893 -0.121 7.007 93 HE2 MET 10 HE2 MET 10 7.205 -0.731 8.646 94 HE3 MET 10 HE3 MET 10 8.522 -0.679 7.462 95 H PHE 11 H PHE 11 8.242 -1.846 1.751 96 HA PHE 11 HA PHE 11 10.257 -3.618 0.671 97 HB2 PHE 11 HB2 PHE 11 9.984 -0.626 0.897 98 HB3 PHE 11 HB3 PHE 11 11.375 -1.391 0.159 99 HD1 PHE 11 HD2 PHE 11 10.863 -3.205 -1.723 100 HD2 PHE 11 HD1 PHE 11 8.189 -0.001 -0.583 101 HE1 PHE 11 HE2 PHE 11 9.808 -3.264 -3.964 102 HE2 PHE 11 HE1 PHE 11 7.201 -0.045 -2.849 103 HZ PHE 11 HZ PHE 11 7.998 -1.645 -4.529 104 H ALA 12 H ALA 12 12.587 -3.523 1.178 105 HA ALA 12 HA ALA 12 13.183 -3.842 3.900 106 HB1 ALA 12 HB1 ALA 12 14.381 -4.915 2.030 107 HB2 ALA 12 HB2 ALA 12 15.043 -3.336 1.536 108 HB3 ALA 12 HB3 ALA 12 15.501 -4.050 3.097 109 H ASN 13 H ASN 13 12.991 -0.836 2.195 110 HA ASN 13 HA ASN 13 14.623 0.638 4.173 111 HB2 ASN 13 HB2 ASN 13 14.065 2.597 2.776 112 HB3 ASN 13 HB3 ASN 13 14.784 1.296 1.828 113 HD21 ASN 13 HD21 ASN 13 13.819 2.401 -0.080 114 H GLY 14 H GLY 14 11.568 -0.731 4.267 115 HA2 GLY 14 HA2 GLY 14 10.082 -0.495 6.005 116 HA3 GLY 14 HA3 GLY 14 10.616 1.158 6.321 117 H THR 15 H THR 15 9.807 0.383 2.936 118 HA THR 15 HA THR 15 7.664 2.426 3.184 119 HB THR 15 HB THR 15 9.066 1.290 0.757 120 HG1 THR 15 HG1 THR 15 10.472 2.353 1.880 121 HG21 THR 15 HG21 THR 15 6.815 2.287 0.218 122 HG22 THR 15 HG22 THR 15 7.387 3.813 0.931 123 HG23 THR 15 HG23 THR 15 8.190 3.127 -0.507 124 H VAL 16 H VAL 16 5.526 1.844 3.162 125 HA VAL 16 HA VAL 16 4.907 -0.998 2.663 126 HB VAL 16 HB VAL 16 3.485 1.286 4.048 127 HG11 VAL 16 HG11 VAL 16 1.658 0.147 2.878 128 HG12 VAL 16 HG12 VAL 16 2.264 -1.440 3.412 129 HG13 VAL 16 HG13 VAL 16 1.625 -0.274 4.589 130 HG21 VAL 16 HG21 VAL 16 4.305 -1.526 4.906 131 HG22 VAL 16 HG22 VAL 16 5.205 -0.031 5.276 132 HG23 VAL 16 HG23 VAL 16 3.591 -0.282 5.954 133 H TYR 17 H TYR 17 3.600 -1.777 1.157 134 HA TYR 17 HA TYR 17 2.103 -0.031 -0.669 135 HB2 TYR 17 HB2 TYR 17 3.117 -1.013 -2.675 136 HB3 TYR 17 HB3 TYR 17 4.319 -0.172 -1.728 137 HD1 TYR 17 HD1 TYR 17 5.942 -1.428 -0.323 138 HD2 TYR 17 HD2 TYR 17 3.392 -3.432 -3.167 139 HE1 TYR 17 HE1 TYR 17 7.507 -3.324 -0.360 140 HE2 TYR 17 HE2 TYR 17 4.973 -5.376 -3.203 141 HH TYR 17 HH TYR 17 8.030 -5.336 -1.385 142 H TYR 18 H TYR 18 0.885 -1.530 -2.259 143 HA TYR 18 HA TYR 18 0.279 -4.186 -1.065 144 HB2 TYR 18 HB2 TYR 18 -1.557 -2.234 -2.484 145 HB3 TYR 18 HB3 TYR 18 -1.941 -3.911 -2.058 146 HD1 TYR 18 HD2 TYR 18 -0.640 -0.794 -0.410 147 HD2 TYR 18 HD1 TYR 18 -3.092 -4.316 -0.033 148 HE1 TYR 18 HE2 TYR 18 -0.824 -0.376 1.945 149 HE2 TYR 18 HE1 TYR 18 -3.595 -3.737 2.250 150 HH TYR 18 HH TYR 18 -1.706 -1.193 4.012 151 H PHE 19 H PHE 19 0.184 -5.911 -2.369 152 HA PHE 19 HA PHE 19 1.407 -5.670 -5.080 153 HB2 PHE 19 HB2 PHE 19 2.841 -6.407 -3.274 154 HB3 PHE 19 HB3 PHE 19 1.691 -7.649 -2.798 155 HD1 PHE 19 HD1 PHE 19 1.286 -9.635 -4.306 156 HD2 PHE 19 HD2 PHE 19 4.420 -6.758 -5.029 157 HE1 PHE 19 HE1 PHE 19 2.521 -11.322 -5.652 158 HE2 PHE 19 HE2 PHE 19 5.642 -8.398 -6.351 159 HZ PHE 19 HZ PHE 19 4.689 -10.713 -6.703 160 H ASN 20 H ASN 20 0.092 -6.342 -6.700 161 HA ASN 20 HA ASN 20 -2.247 -7.950 -6.327 162 HB2 ASN 20 HB2 ASN 20 -1.858 -6.320 -8.178 163 HB3 ASN 20 HB3 ASN 20 -0.683 -7.423 -8.866 164 HD21 ASN 20 HD22 ASN 20 -3.947 -6.509 -9.119 165 HD22 ASN 20 HD21 ASN 20 -4.513 -8.063 -9.697 166 H HIS 21 H HIS 21 -1.943 -9.994 -5.405 167 HA HIS 21 HA HIS 21 0.419 -11.541 -6.119 168 HB2 HIS 21 HB2 HIS 21 -0.399 -13.180 -4.579 169 HB3 HIS 21 HB3 HIS 21 -0.524 -11.578 -3.872 170 HD2 HIS 21 HD2 HIS 21 -2.902 -14.142 -5.627 171 HE1 HIS 21 HE1 HIS 21 -5.245 -11.693 -3.032 172 HE2 HIS 21 HE2 HIS 21 -5.306 -13.681 -4.641 173 H ILE 22 H ILE 22 -2.137 -10.967 -8.061 174 HA ILE 22 HA ILE 22 -2.219 -13.686 -9.242 175 HB ILE 22 HB ILE 22 -3.818 -11.272 -10.147 176 HG12 ILE 22 HG12 ILE 22 -4.696 -13.258 -7.999 177 HG13 ILE 22 HG13 ILE 22 -4.294 -11.565 -7.711 178 HG21 ILE 22 HG21 ILE 22 -4.342 -14.265 -10.345 179 HG22 ILE 22 HG22 ILE 22 -5.314 -12.971 -11.079 180 HG23 ILE 22 HG23 ILE 22 -3.675 -13.255 -11.642 181 HD11 ILE 22 HD11 ILE 22 -6.650 -11.705 -7.745 182 HD12 ILE 22 HD12 ILE 22 -6.146 -10.861 -9.218 183 HD13 ILE 22 HD13 ILE 22 -6.669 -12.564 -9.294 184 H THR 23 H THR 23 -1.152 -10.330 -9.861 185 HA THR 23 HA THR 23 0.128 -11.215 -12.420 186 HB THR 23 HB THR 23 -0.019 -8.947 -13.164 187 HG1 THR 23 HG1 THR 23 -1.157 -7.453 -11.763 188 HG21 THR 23 HG21 THR 23 -2.705 -9.583 -11.879 189 HG22 THR 23 HG22 THR 23 -2.395 -8.579 -13.311 190 HG23 THR 23 HG23 THR 23 -2.103 -10.326 -13.376 191 H ASN 24 H ASN 24 0.983 -10.046 -9.254 192 HA ASN 24 HA ASN 24 2.845 -9.611 -8.245 193 HB2 ASN 24 HB2 ASN 24 4.465 -9.640 -10.810 194 HB3 ASN 24 HB3 ASN 24 5.062 -9.692 -9.163 195 HD21 ASN 24 HD22 ASN 24 3.479 -11.533 -11.688 196 HD22 ASN 24 HD21 ASN 24 3.785 -13.115 -10.939 197 H ALA 25 H ALA 25 1.208 -7.549 -10.244 198 HA ALA 25 HA ALA 25 3.010 -5.319 -10.336 199 HB1 ALA 25 HB1 ALA 25 0.974 -4.029 -10.857 200 HB2 ALA 25 HB2 ALA 25 1.015 -5.550 -11.769 201 HB3 ALA 25 HB3 ALA 25 -0.039 -5.394 -10.343 202 H SER 26 H SER 26 3.657 -3.883 -8.780 203 HA SER 26 HA SER 26 2.382 -3.959 -6.104 204 HB2 SER 26 HB2 SER 26 4.591 -3.190 -5.343 205 HB3 SER 26 HB3 SER 26 4.724 -4.696 -6.260 206 HG SER 26 HG SER 26 4.945 -2.148 -7.486 207 H GLN 27 H GLN 27 1.321 -2.159 -5.345 208 HA GLN 27 HA GLN 27 2.119 0.496 -6.361 209 HB2 GLN 27 HB2 GLN 27 0.328 -0.375 -7.860 210 HB3 GLN 27 HB3 GLN 27 -0.738 -0.576 -6.470 211 HG2 GLN 27 HG2 GLN 27 -1.226 1.454 -7.821 212 HG3 GLN 27 HG3 GLN 27 -0.856 1.837 -6.150 213 HE21 GLN 27 HE22 GLN 27 0.299 2.185 -9.530 214 HE22 GLN 27 HE21 GLN 27 1.601 3.262 -9.051 215 H PHE 28 H PHE 28 1.549 2.230 -5.046 216 HA PHE 28 HA PHE 28 1.484 1.654 -2.207 217 HB2 PHE 28 HB2 PHE 28 1.530 4.288 -3.714 218 HB3 PHE 28 HB3 PHE 28 1.906 4.046 -2.005 219 HD1 PHE 28 HD2 PHE 28 3.783 2.299 -1.442 220 HD2 PHE 28 HD1 PHE 28 3.322 4.201 -5.284 221 HE1 PHE 28 HE2 PHE 28 6.122 1.759 -1.987 222 HE2 PHE 28 HE1 PHE 28 5.695 3.686 -5.813 223 HZ PHE 28 HZ PHE 28 7.109 2.476 -4.165 224 H GLU 29 H GLU 29 -1.076 1.539 -4.190 225 HA GLU 29 HA GLU 29 -2.886 3.330 -2.811 226 HB2 GLU 29 HB2 GLU 29 -3.074 2.821 -5.242 227 HB3 GLU 29 HB3 GLU 29 -3.625 1.203 -4.801 228 HG2 GLU 29 HG2 GLU 29 -5.538 2.626 -5.266 229 HG3 GLU 29 HG3 GLU 29 -5.515 2.193 -3.557 230 H ARG 30 H ARG 30 -3.474 3.002 -0.821 231 HA ARG 30 HA ARG 30 -3.619 0.268 0.229 232 HB2 ARG 30 HB2 ARG 30 -2.862 1.106 2.289 233 HB3 ARG 30 HB3 ARG 30 -1.819 1.735 1.044 234 HG2 ARG 30 HG2 ARG 30 -4.033 3.365 2.388 235 HG3 ARG 30 HG3 ARG 30 -2.386 3.217 2.977 236 HD2 ARG 30 HD2 ARG 30 -2.117 5.154 1.870 237 HD3 ARG 30 HD3 ARG 30 -1.707 4.052 0.558 238 HE ARG 30 HE ARG 30 -4.525 5.129 0.889 239 HH11 ARG 30 HH12 ARG 30 -1.750 4.828 -1.396 240 HH12 ARG 30 HH11 ARG 30 -2.885 5.436 -2.622 241 HH21 ARG 30 HH21 ARG 30 -5.538 5.919 -0.681 242 HH22 ARG 30 HH22 ARG 30 -4.816 5.875 -2.340 243 HA PRO 31 HA PRO 31 -7.837 0.290 1.557 244 HB2 PRO 31 HB2 PRO 31 -6.807 -0.156 4.366 245 HB3 PRO 31 HB3 PRO 31 -8.117 -1.018 3.497 246 HG2 PRO 31 HG2 PRO 31 -5.666 -2.160 3.674 247 HG3 PRO 31 HG3 PRO 31 -6.535 -2.163 2.114 248 HD2 PRO 31 HD2 PRO 31 -4.365 -0.291 3.053 249 HD3 PRO 31 HD3 PRO 31 -4.528 -1.146 1.479 250 H SER 32 H SER 32 -9.390 1.178 3.174 251 HA SER 32 HA SER 32 -10.542 2.835 4.081 252 HB2 SER 32 HB2 SER 32 -7.913 3.579 5.383 253 HB3 SER 32 HB3 SER 32 -9.534 4.058 5.925 254 HG SER 32 HG SER 32 -8.762 2.189 7.014 255 H GLY 33 H GLY 33 -7.698 4.189 2.463 256 HA2 GLY 33 HA2 GLY 33 -9.368 6.289 1.234 257 HA3 GLY 33 HA3 GLY 33 -8.103 6.862 2.336 258 H1 NAG 101 H1 NAG 34 11.157 1.152 -0.471 259 H2 NAG 101 H2 NAG 34 12.259 3.439 -2.183 260 H3 NAG 101 H3 NAG 34 9.706 1.740 -2.172 261 H4 NAG 101 H4 NAG 34 11.978 2.096 -4.167 262 H5 NAG 101 H5 NAG 34 11.147 -0.302 -2.491 263 H61 NAG 101 H61 NAG 34 13.050 -1.482 -3.262 264 H62 NAG 101 H62 NAG 34 12.315 -0.822 -4.726 265 H81 NAG 101 H2M NAG 34 10.535 5.997 0.833 266 H82 NAG 101 H3M NAG 34 8.912 5.838 0.122 267 H83 NAG 101 H1M NAG 34 10.002 7.130 -0.427 268 HN2 NAG 101 H2N NAG 34 10.521 3.615 0.148 269 HO3 NAG 101 H3O NAG 34 10.080 4.268 -3.147 270 HO4 NAG 101 H4O NAG 34 9.725 1.724 -4.793 271 HO6 NAG 101 H6O NAG 34 14.336 0.510 -3.214 Start of MODEL 16 1 H1 LYS 1 H1 LYS 1 -11.829 -5.710 3.057 2 H2 LYS 1 H2 LYS 1 -10.653 -4.979 3.849 3 H3 LYS 1 H3 LYS 1 -11.646 -6.019 4.677 4 HA LYS 1 HA LYS 1 -9.524 -7.084 4.267 5 HB2 LYS 1 HB2 LYS 1 -10.433 -9.150 3.131 6 HB3 LYS 1 HB3 LYS 1 -11.298 -8.549 4.517 7 HG2 LYS 1 HG2 LYS 1 -12.895 -9.303 2.938 8 HG3 LYS 1 HG3 LYS 1 -13.048 -7.572 3.102 9 HD2 LYS 1 HD2 LYS 1 -13.401 -8.102 0.844 10 HD3 LYS 1 HD3 LYS 1 -11.851 -7.297 0.887 11 HE2 LYS 1 HE2 LYS 1 -11.815 -10.303 1.118 12 HE3 LYS 1 HE3 LYS 1 -12.438 -9.659 -0.403 13 HZ1 LYS 1 HZ1 LYS 1 -10.059 -9.991 -0.579 14 HZ2 LYS 1 HZ2 LYS 1 -10.383 -8.358 -0.620 15 HZ3 LYS 1 HZ3 LYS 1 -9.770 -8.987 0.711 16 H LEU 2 H LEU 2 -9.697 -4.779 2.170 17 HA LEU 2 HA LEU 2 -8.722 -4.051 0.431 18 HB2 LEU 2 HB2 LEU 2 -6.975 -6.490 0.749 19 HB3 LEU 2 HB3 LEU 2 -6.838 -5.510 -0.677 20 HG LEU 2 HG LEU 2 -5.128 -4.955 0.885 21 HD11 LEU 2 HD11 LEU 2 -7.074 -2.628 0.705 22 HD12 LEU 2 HD12 LEU 2 -5.315 -2.557 0.890 23 HD13 LEU 2 HD13 LEU 2 -6.013 -3.204 -0.605 24 HD21 LEU 2 HD21 LEU 2 -5.466 -3.880 2.999 25 HD22 LEU 2 HD22 LEU 2 -7.235 -3.950 2.825 26 HD23 LEU 2 HD23 LEU 2 -6.291 -5.451 3.014 27 HA PRO 3 HA PRO 3 -10.854 -5.482 -3.180 28 HB2 PRO 3 HB2 PRO 3 -8.601 -4.362 -4.827 29 HB3 PRO 3 HB3 PRO 3 -10.354 -4.048 -4.953 30 HG2 PRO 3 HG2 PRO 3 -8.689 -2.220 -3.841 31 HG3 PRO 3 HG3 PRO 3 -10.302 -2.551 -3.126 32 HD2 PRO 3 HD2 PRO 3 -7.610 -3.639 -2.265 33 HD3 PRO 3 HD3 PRO 3 -8.917 -2.927 -1.271 34 HA PRO 4 HA PRO 4 -9.700 -9.396 -4.612 35 HB2 PRO 4 HB2 PRO 4 -9.591 -8.376 -7.461 36 HB3 PRO 4 HB3 PRO 4 -10.293 -9.905 -6.835 37 HG2 PRO 4 HG2 PRO 4 -11.897 -7.780 -7.269 38 HG3 PRO 4 HG3 PRO 4 -12.071 -8.715 -5.749 39 HD2 PRO 4 HD2 PRO 4 -10.672 -6.079 -6.192 40 HD3 PRO 4 HD3 PRO 4 -11.721 -6.593 -4.837 41 H GLY 5 H GLY 5 -7.767 -9.889 -3.741 42 HA2 GLY 5 HA2 GLY 5 -5.711 -10.947 -3.995 43 HA3 GLY 5 HA3 GLY 5 -5.502 -10.196 -5.578 44 H TRP 6 H TRP 6 -6.268 -7.589 -3.610 45 HA TRP 6 HA TRP 6 -3.466 -6.761 -3.512 46 HB2 TRP 6 HB2 TRP 6 -6.113 -5.425 -2.898 47 HB3 TRP 6 HB3 TRP 6 -4.562 -4.663 -2.609 48 HD1 TRP 6 HD1 TRP 6 -6.920 -5.597 -5.407 49 HE1 TRP 6 HE1 TRP 6 -6.150 -4.472 -7.600 50 HE3 TRP 6 HE3 TRP 6 -2.290 -4.033 -3.927 51 HZ2 TRP 6 HZ2 TRP 6 -3.791 -3.152 -8.597 52 HZ3 TRP 6 HZ3 TRP 6 -0.764 -2.936 -5.550 53 HH2 TRP 6 HH2 TRP 6 -1.509 -2.464 -7.864 54 H GLU 7 H GLU 7 -2.202 -6.462 -1.717 55 HA GLU 7 HA GLU 7 -3.371 -6.498 0.984 56 HB2 GLU 7 HB2 GLU 7 -2.884 -8.895 -0.030 57 HB3 GLU 7 HB3 GLU 7 -1.219 -8.492 0.286 58 HG2 GLU 7 HG2 GLU 7 -3.442 -8.424 2.385 59 HG3 GLU 7 HG3 GLU 7 -2.528 -9.883 2.013 60 H LYS 8 H LYS 8 -1.582 -6.040 2.649 61 HA LYS 8 HA LYS 8 0.014 -3.754 1.793 62 HB2 LYS 8 HB2 LYS 8 -1.043 -3.487 3.814 63 HB3 LYS 8 HB3 LYS 8 -0.829 -5.118 4.347 64 HG2 LYS 8 HG2 LYS 8 1.411 -3.071 4.266 65 HG3 LYS 8 HG3 LYS 8 0.353 -3.344 5.636 66 HD2 LYS 8 HD2 LYS 8 2.509 -5.208 4.605 67 HD3 LYS 8 HD3 LYS 8 2.364 -4.405 6.134 68 HE2 LYS 8 HE2 LYS 8 1.908 -6.593 6.651 69 HE3 LYS 8 HE3 LYS 8 0.303 -5.861 6.618 70 HZ1 LYS 8 HZ1 LYS 8 -0.233 -7.072 4.685 71 HZ2 LYS 8 HZ2 LYS 8 1.274 -7.148 4.143 72 HZ3 LYS 8 HZ3 LYS 8 0.779 -8.125 5.377 73 H ARG 9 H ARG 9 2.208 -3.534 1.713 74 HA ARG 9 HA ARG 9 3.983 -5.811 2.471 75 HB2 ARG 9 HB2 ARG 9 4.124 -4.251 -0.117 76 HB3 ARG 9 HB3 ARG 9 5.333 -5.419 0.419 77 HG2 ARG 9 HG2 ARG 9 2.542 -5.987 -0.551 78 HG3 ARG 9 HG3 ARG 9 4.062 -6.316 -1.338 79 HD2 ARG 9 HD2 ARG 9 4.227 -8.331 -0.492 80 HD3 ARG 9 HD3 ARG 9 4.336 -7.655 1.117 81 HE ARG 9 HE ARG 9 1.961 -7.921 1.423 82 HH11 ARG 9 HH11 ARG 9 2.916 -9.423 -1.638 83 HH12 ARG 9 HH12 ARG 9 1.619 -10.604 -1.503 84 HH21 ARG 9 HH21 ARG 9 0.452 -9.570 1.532 85 HH22 ARG 9 HH22 ARG 9 0.235 -10.585 0.092 86 H MET 10 H MET 10 6.332 -5.066 2.329 87 HA MET 10 HA MET 10 6.862 -2.237 2.829 88 HB2 MET 10 HB2 MET 10 6.017 -3.178 4.987 89 HB3 MET 10 HB3 MET 10 7.319 -4.366 4.967 90 HG2 MET 10 HG2 MET 10 8.991 -2.620 5.186 91 HG3 MET 10 HG3 MET 10 7.778 -1.358 4.910 92 HE1 MET 10 HE1 MET 10 8.588 -0.712 8.679 93 HE2 MET 10 HE2 MET 10 9.775 -1.283 7.489 94 HE3 MET 10 HE3 MET 10 8.567 -0.051 7.030 95 H PHE 11 H PHE 11 8.658 -1.877 1.666 96 HA PHE 11 HA PHE 11 10.453 -3.918 0.690 97 HB2 PHE 11 HB2 PHE 11 10.498 -0.908 0.729 98 HB3 PHE 11 HB3 PHE 11 11.795 -1.855 0.033 99 HD1 PHE 11 HD2 PHE 11 11.098 -3.719 -1.708 100 HD2 PHE 11 HD1 PHE 11 8.722 -0.217 -0.778 101 HE1 PHE 11 HE2 PHE 11 10.000 -3.859 -3.926 102 HE2 PHE 11 HE1 PHE 11 7.686 -0.364 -3.024 103 HZ PHE 11 HZ PHE 11 8.318 -2.147 -4.587 104 H ALA 12 H ALA 12 12.753 -4.116 1.183 105 HA ALA 12 HA ALA 12 13.367 -4.288 3.912 106 HB1 ALA 12 HB1 ALA 12 15.614 -4.885 3.097 107 HB2 ALA 12 HB2 ALA 12 14.357 -5.668 2.123 108 HB3 ALA 12 HB3 ALA 12 15.220 -4.244 1.489 109 H ASN 13 H ASN 13 13.551 -1.437 1.962 110 HA ASN 13 HA ASN 13 15.432 -0.045 3.766 111 HB2 ASN 13 HB2 ASN 13 15.078 1.854 2.230 112 HB3 ASN 13 HB3 ASN 13 15.574 0.400 1.366 113 HD21 ASN 13 HD21 ASN 13 14.676 1.568 -0.564 114 H GLY 14 H GLY 14 12.222 -0.972 4.060 115 HA2 GLY 14 HA2 GLY 14 10.867 -0.391 5.839 116 HA3 GLY 14 HA3 GLY 14 11.617 1.201 5.968 117 H THR 15 H THR 15 10.587 0.243 2.701 118 HA THR 15 HA THR 15 8.706 2.534 2.828 119 HB THR 15 HB THR 15 9.822 1.061 0.442 120 HG1 THR 15 HG1 THR 15 11.438 1.963 1.446 121 HG21 THR 15 HG21 THR 15 8.598 3.832 0.534 122 HG22 THR 15 HG22 THR 15 9.155 2.916 -0.892 123 HG23 THR 15 HG23 THR 15 7.712 2.392 -0.006 124 H VAL 16 H VAL 16 6.555 2.196 3.042 125 HA VAL 16 HA VAL 16 5.524 -0.545 2.669 126 HB VAL 16 HB VAL 16 4.552 1.922 4.123 127 HG11 VAL 16 HG11 VAL 16 2.540 0.651 4.839 128 HG12 VAL 16 HG12 VAL 16 2.489 1.040 3.122 129 HG13 VAL 16 HG13 VAL 16 2.910 -0.609 3.646 130 HG21 VAL 16 HG21 VAL 16 5.017 -0.977 4.957 131 HG22 VAL 16 HG22 VAL 16 6.169 0.361 5.221 132 HG23 VAL 16 HG23 VAL 16 4.601 0.369 6.039 133 H TYR 17 H TYR 17 3.906 -1.137 1.374 134 HA TYR 17 HA TYR 17 2.598 0.717 -0.469 135 HB2 TYR 17 HB2 TYR 17 3.450 -0.356 -2.487 136 HB3 TYR 17 HB3 TYR 17 4.776 0.309 -1.564 137 HD1 TYR 17 HD1 TYR 17 6.244 -1.150 -0.191 138 HD2 TYR 17 HD2 TYR 17 3.437 -2.799 -3.045 139 HE1 TYR 17 HE1 TYR 17 7.615 -3.177 -0.344 140 HE2 TYR 17 HE2 TYR 17 4.809 -4.841 -3.185 141 HH TYR 17 HH TYR 17 7.954 -5.141 -1.559 142 H TYR 18 H TYR 18 1.224 -0.720 -2.053 143 HA TYR 18 HA TYR 18 0.341 -3.226 -0.686 144 HB2 TYR 18 HB2 TYR 18 -1.321 -1.301 -2.345 145 HB3 TYR 18 HB3 TYR 18 -1.883 -2.815 -1.624 146 HD1 TYR 18 HD2 TYR 18 -0.616 0.600 -0.905 147 HD2 TYR 18 HD1 TYR 18 -2.331 -2.991 0.787 148 HE1 TYR 18 HE2 TYR 18 -0.825 1.726 1.284 149 HE2 TYR 18 HE1 TYR 18 -2.503 -1.873 2.975 150 HH TYR 18 HH TYR 18 -2.221 0.104 4.146 151 H PHE 19 H PHE 19 0.025 -5.010 -1.896 152 HA PHE 19 HA PHE 19 1.066 -5.012 -4.698 153 HB2 PHE 19 HB2 PHE 19 2.738 -5.648 -3.011 154 HB3 PHE 19 HB3 PHE 19 1.658 -6.911 -2.411 155 HD1 PHE 19 HD1 PHE 19 3.931 -5.891 -5.137 156 HD2 PHE 19 HD2 PHE 19 1.335 -9.006 -3.665 157 HE1 PHE 19 HE1 PHE 19 5.025 -7.511 -6.642 158 HE2 PHE 19 HE2 PHE 19 2.488 -10.643 -5.153 159 HZ PHE 19 HZ PHE 19 4.316 -9.903 -6.634 160 H ASN 20 H ASN 20 0.009 -6.361 -6.075 161 HA ASN 20 HA ASN 20 -2.383 -7.772 -5.053 162 HB2 ASN 20 HB2 ASN 20 -2.597 -6.060 -6.857 163 HB3 ASN 20 HB3 ASN 20 -1.594 -7.069 -7.883 164 HD21 ASN 20 HD22 ASN 20 -4.760 -6.619 -6.486 165 HD22 ASN 20 HD21 ASN 20 -5.527 -8.047 -7.113 166 H HIS 21 H HIS 21 -1.627 -9.734 -4.257 167 HA HIS 21 HA HIS 21 0.405 -11.201 -5.777 168 HB2 HIS 21 HB2 HIS 21 0.250 -12.888 -3.949 169 HB3 HIS 21 HB3 HIS 21 0.773 -11.287 -3.515 170 HD2 HIS 21 HD2 HIS 21 -2.902 -12.592 -3.675 171 HE1 HIS 21 HE1 HIS 21 -2.104 -11.314 0.305 172 HE2 HIS 21 HE2 HIS 21 -3.887 -12.202 -1.265 173 H ILE 22 H ILE 22 -2.336 -10.732 -6.981 174 HA ILE 22 HA ILE 22 -2.631 -13.524 -7.998 175 HB ILE 22 HB ILE 22 -4.683 -11.280 -7.873 176 HG12 ILE 22 HG12 ILE 22 -4.489 -14.012 -6.522 177 HG13 ILE 22 HG13 ILE 22 -4.367 -12.438 -5.741 178 HG21 ILE 22 HG21 ILE 22 -4.936 -14.033 -9.163 179 HG22 ILE 22 HG22 ILE 22 -6.269 -12.875 -8.930 180 HG23 ILE 22 HG23 ILE 22 -4.959 -12.468 -10.008 181 HD11 ILE 22 HD11 ILE 22 -6.855 -13.723 -6.898 182 HD12 ILE 22 HD12 ILE 22 -6.524 -13.246 -5.229 183 HD13 ILE 22 HD13 ILE 22 -6.776 -11.998 -6.467 184 H THR 23 H THR 23 -1.609 -10.277 -8.700 185 HA THR 23 HA THR 23 -1.248 -10.962 -11.602 186 HB THR 23 HB THR 23 -1.716 -8.592 -12.109 187 HG1 THR 23 HG1 THR 23 -2.596 -8.440 -9.433 188 HG21 THR 23 HG21 THR 23 -4.118 -8.537 -11.760 189 HG22 THR 23 HG22 THR 23 -3.620 -10.178 -12.216 190 HG23 THR 23 HG23 THR 23 -4.023 -9.811 -10.527 191 H ASN 24 H ASN 24 0.321 -9.851 -8.728 192 HA ASN 24 HA ASN 24 2.310 -9.083 -8.246 193 HB2 ASN 24 HB2 ASN 24 2.985 -10.680 -10.224 194 HB3 ASN 24 HB3 ASN 24 3.314 -9.182 -11.090 195 HD21 ASN 24 HD22 ASN 24 4.661 -7.567 -9.488 196 HD22 ASN 24 HD21 ASN 24 6.118 -8.397 -8.889 197 H ALA 25 H ALA 25 -0.011 -7.292 -9.656 198 HA ALA 25 HA ALA 25 1.452 -4.888 -10.296 199 HB1 ALA 25 HB1 ALA 25 -0.703 -3.780 -10.014 200 HB2 ALA 25 HB2 ALA 25 -0.921 -5.296 -10.908 201 HB3 ALA 25 HB3 ALA 25 -1.371 -5.202 -9.192 202 H SER 26 H SER 26 1.702 -2.928 -8.944 203 HA SER 26 HA SER 26 1.473 -3.234 -6.022 204 HB2 SER 26 HB2 SER 26 3.810 -2.486 -5.688 205 HB3 SER 26 HB3 SER 26 3.713 -4.093 -6.407 206 HG SER 26 HG SER 26 3.902 -1.752 -7.998 207 H GLN 27 H GLN 27 1.149 -1.281 -4.968 208 HA GLN 27 HA GLN 27 1.802 1.236 -6.363 209 HB2 GLN 27 HB2 GLN 27 -0.425 2.176 -6.079 210 HB3 GLN 27 HB3 GLN 27 -0.453 0.762 -7.129 211 HG2 GLN 27 HG2 GLN 27 -1.289 -0.608 -5.173 212 HG3 GLN 27 HG3 GLN 27 -1.361 0.867 -4.216 213 HE21 GLN 27 HE22 GLN 27 -3.227 2.170 -4.396 214 HE22 GLN 27 HE21 GLN 27 -4.463 1.817 -5.623 215 H PHE 28 H PHE 28 2.398 2.875 -5.053 216 HA PHE 28 HA PHE 28 2.585 2.528 -2.167 217 HB2 PHE 28 HB2 PHE 28 3.129 4.922 -3.971 218 HB3 PHE 28 HB3 PHE 28 3.554 4.794 -2.265 219 HD1 PHE 28 HD1 PHE 28 5.017 2.755 -1.549 220 HD2 PHE 28 HD2 PHE 28 4.764 4.258 -5.587 221 HE1 PHE 28 HE1 PHE 28 7.143 1.639 -2.102 222 HE2 PHE 28 HE2 PHE 28 6.920 3.155 -6.125 223 HZ PHE 28 HZ PHE 28 8.123 1.850 -4.385 224 H GLU 29 H GLU 29 0.434 4.275 -4.422 225 HA GLU 29 HA GLU 29 -0.990 5.867 -2.518 226 HB2 GLU 29 HB2 GLU 29 -1.423 4.830 -5.328 227 HB3 GLU 29 HB3 GLU 29 -2.826 5.433 -4.457 228 HG2 GLU 29 HG2 GLU 29 -0.278 7.065 -4.806 229 HG3 GLU 29 HG3 GLU 29 -1.662 7.139 -5.906 230 H ARG 30 H ARG 30 -1.913 4.970 -0.731 231 HA ARG 30 HA ARG 30 -2.522 2.291 -0.576 232 HB2 ARG 30 HB2 ARG 30 -3.191 2.513 1.578 233 HB3 ARG 30 HB3 ARG 30 -1.929 3.700 1.316 234 HG2 ARG 30 HG2 ARG 30 -4.891 4.218 1.740 235 HG3 ARG 30 HG3 ARG 30 -3.546 4.415 2.863 236 HD2 ARG 30 HD2 ARG 30 -4.112 6.606 2.139 237 HD3 ARG 30 HD3 ARG 30 -2.590 6.183 1.332 238 HE ARG 30 HE ARG 30 -4.991 5.493 -0.182 239 HH11 ARG 30 HH11 ARG 30 -2.523 7.993 0.121 240 HH12 ARG 30 HH12 ARG 30 -2.481 8.208 -1.628 241 HH21 ARG 30 HH21 ARG 30 -5.163 6.083 -2.215 242 HH22 ARG 30 HH22 ARG 30 -4.137 7.372 -2.870 243 HA PRO 31 HA PRO 31 -6.698 2.119 -2.344 244 HB2 PRO 31 HB2 PRO 31 -6.883 -0.567 -2.628 245 HB3 PRO 31 HB3 PRO 31 -5.782 0.397 -3.654 246 HG2 PRO 31 HG2 PRO 31 -5.102 -1.237 -1.209 247 HG3 PRO 31 HG3 PRO 31 -4.216 -1.141 -2.759 248 HD2 PRO 31 HD2 PRO 31 -3.686 0.313 -0.415 249 HD3 PRO 31 HD3 PRO 31 -3.094 0.757 -2.042 250 H SER 32 H SER 32 -8.698 0.512 -1.547 251 HA SER 32 HA SER 32 -8.479 -0.424 1.169 252 HB2 SER 32 HB2 SER 32 -10.110 2.079 0.591 253 HB3 SER 32 HB3 SER 32 -10.417 1.025 1.988 254 HG SER 32 HG SER 32 -7.761 1.751 1.538 255 H GLY 33 H GLY 33 -10.438 -1.523 1.891 256 HA2 GLY 33 HA2 GLY 33 -12.799 -2.151 0.819 257 HA3 GLY 33 HA3 GLY 33 -11.679 -3.015 -0.254 258 H1 NAG 101 H1 NAG 34 11.876 0.616 -0.811 259 H2 NAG 101 H2 NAG 34 13.185 2.639 -2.698 260 H3 NAG 101 H3 NAG 34 10.449 1.268 -2.501 261 H4 NAG 101 H4 NAG 34 12.676 1.228 -4.576 262 H5 NAG 101 H5 NAG 34 11.634 -0.954 -2.733 263 H61 NAG 101 H61 NAG 34 13.395 -2.376 -3.471 264 H62 NAG 101 H62 NAG 34 12.653 -1.753 -4.948 265 H81 NAG 101 H2M NAG 34 10.218 5.610 -0.519 266 H82 NAG 101 H3M NAG 34 11.502 6.684 -1.117 267 H83 NAG 101 H1M NAG 34 11.843 5.546 0.204 268 HN2 NAG 101 H2N NAG 34 11.571 3.177 -0.337 269 HO3 NAG 101 H3O NAG 34 11.089 3.666 -3.653 270 HO4 NAG 101 H4O NAG 34 10.393 1.093 -5.137 271 HO6 NAG 101 H6O NAG 34 14.878 -0.543 -3.628 Start of MODEL 17 1 H1 LYS 1 H1 LYS 1 -4.667 -7.904 4.027 2 H2 LYS 1 H2 LYS 1 -4.725 -7.942 5.672 3 H3 LYS 1 H3 LYS 1 -4.263 -6.571 4.860 4 HA LYS 1 HA LYS 1 -6.941 -7.807 4.744 5 HB2 LYS 1 HB2 LYS 1 -6.583 -6.769 6.940 6 HB3 LYS 1 HB3 LYS 1 -5.923 -5.333 6.181 7 HG2 LYS 1 HG2 LYS 1 -8.414 -5.278 5.040 8 HG3 LYS 1 HG3 LYS 1 -8.789 -6.233 6.448 9 HD2 LYS 1 HD2 LYS 1 -9.235 -3.794 6.688 10 HD3 LYS 1 HD3 LYS 1 -8.165 -4.437 7.925 11 HE2 LYS 1 HE2 LYS 1 -7.492 -2.183 7.128 12 HE3 LYS 1 HE3 LYS 1 -6.235 -3.399 6.952 13 HZ1 LYS 1 HZ1 LYS 1 -7.876 -2.261 4.737 14 HZ2 LYS 1 HZ2 LYS 1 -6.274 -2.100 4.991 15 HZ3 LYS 1 HZ3 LYS 1 -6.863 -3.559 4.559 16 H LEU 2 H LEU 2 -6.988 -7.740 2.381 17 HA LEU 2 HA LEU 2 -8.117 -5.219 1.512 18 HB2 LEU 2 HB2 LEU 2 -5.558 -6.340 0.368 19 HB3 LEU 2 HB3 LEU 2 -6.674 -5.552 -0.705 20 HG LEU 2 HG LEU 2 -5.006 -4.334 1.492 21 HD11 LEU 2 HD11 LEU 2 -4.097 -4.478 -0.776 22 HD12 LEU 2 HD12 LEU 2 -5.543 -3.675 -1.433 23 HD13 LEU 2 HD13 LEU 2 -4.465 -2.787 -0.367 24 HD21 LEU 2 HD21 LEU 2 -6.121 -2.187 1.238 25 HD22 LEU 2 HD22 LEU 2 -7.328 -2.890 0.125 26 HD23 LEU 2 HD23 LEU 2 -7.285 -3.330 1.846 27 HA PRO 3 HA PRO 3 -10.861 -7.689 -0.831 28 HB2 PRO 3 HB2 PRO 3 -9.951 -6.243 -3.327 29 HB3 PRO 3 HB3 PRO 3 -11.618 -6.645 -2.805 30 HG2 PRO 3 HG2 PRO 3 -10.648 -4.157 -2.398 31 HG3 PRO 3 HG3 PRO 3 -11.554 -4.977 -1.083 32 HD2 PRO 3 HD2 PRO 3 -8.567 -4.694 -1.423 33 HD3 PRO 3 HD3 PRO 3 -9.560 -4.491 0.052 34 HA PRO 4 HA PRO 4 -8.619 -11.279 -2.060 35 HB2 PRO 4 HB2 PRO 4 -10.941 -11.694 -3.966 36 HB3 PRO 4 HB3 PRO 4 -10.086 -12.902 -2.950 37 HG2 PRO 4 HG2 PRO 4 -12.398 -11.807 -2.084 38 HG3 PRO 4 HG3 PRO 4 -11.017 -11.975 -0.950 39 HD2 PRO 4 HD2 PRO 4 -11.974 -9.509 -2.401 40 HD3 PRO 4 HD3 PRO 4 -11.356 -9.696 -0.730 41 H GLY 5 H GLY 5 -6.776 -10.703 -3.014 42 HA2 GLY 5 HA2 GLY 5 -5.664 -11.478 -5.214 43 HA3 GLY 5 HA3 GLY 5 -6.670 -10.228 -5.957 44 H TRP 6 H TRP 6 -6.462 -8.243 -3.841 45 HA TRP 6 HA TRP 6 -3.612 -7.441 -4.134 46 HB2 TRP 6 HB2 TRP 6 -6.059 -5.963 -4.332 47 HB3 TRP 6 HB3 TRP 6 -5.215 -5.414 -2.904 48 HD1 TRP 6 HD1 TRP 6 -2.613 -4.626 -3.300 49 HE1 TRP 6 HE1 TRP 6 -1.474 -3.459 -5.300 50 HE3 TRP 6 HE3 TRP 6 -6.151 -5.564 -6.865 51 HZ2 TRP 6 HZ2 TRP 6 -2.024 -3.067 -8.111 52 HZ3 TRP 6 HZ3 TRP 6 -5.829 -4.763 -9.203 53 HH2 TRP 6 HH2 TRP 6 -3.764 -3.538 -9.832 54 H GLU 7 H GLU 7 -2.301 -6.970 -2.325 55 HA GLU 7 HA GLU 7 -3.571 -6.930 0.317 56 HB2 GLU 7 HB2 GLU 7 -1.833 -9.155 -0.610 57 HB3 GLU 7 HB3 GLU 7 -1.304 -8.418 0.884 58 HG2 GLU 7 HG2 GLU 7 -4.015 -9.672 0.371 59 HG3 GLU 7 HG3 GLU 7 -2.740 -10.250 1.437 60 H LYS 8 H LYS 8 -2.180 -6.273 2.059 61 HA LYS 8 HA LYS 8 -0.488 -3.952 1.292 62 HB2 LYS 8 HB2 LYS 8 -2.153 -3.892 3.185 63 HB3 LYS 8 HB3 LYS 8 -1.174 -5.092 4.038 64 HG2 LYS 8 HG2 LYS 8 0.787 -3.426 3.879 65 HG3 LYS 8 HG3 LYS 8 -0.372 -2.237 3.292 66 HD2 LYS 8 HD2 LYS 8 -0.412 -3.692 5.969 67 HD3 LYS 8 HD3 LYS 8 0.066 -2.016 5.725 68 HE2 LYS 8 HE2 LYS 8 -2.712 -3.075 5.051 69 HE3 LYS 8 HE3 LYS 8 -2.296 -2.453 6.648 70 HZ1 LYS 8 HZ1 LYS 8 -3.335 -0.873 4.978 71 HZ2 LYS 8 HZ2 LYS 8 -2.006 -0.314 5.790 72 HZ3 LYS 8 HZ3 LYS 8 -1.885 -0.794 4.230 73 H ARG 9 H ARG 9 1.704 -3.907 1.352 74 HA ARG 9 HA ARG 9 3.295 -6.137 2.569 75 HB2 ARG 9 HB2 ARG 9 3.925 -4.679 -0.006 76 HB3 ARG 9 HB3 ARG 9 4.875 -5.982 0.691 77 HG2 ARG 9 HG2 ARG 9 2.189 -6.223 -0.671 78 HG3 ARG 9 HG3 ARG 9 3.765 -6.597 -1.333 79 HD2 ARG 9 HD2 ARG 9 2.825 -8.661 -0.862 80 HD3 ARG 9 HD3 ARG 9 4.102 -8.399 0.339 81 HE ARG 9 HE ARG 9 1.851 -7.482 1.622 82 HH11 ARG 9 HH12 ARG 9 2.384 -10.596 0.120 83 HH12 ARG 9 HH11 ARG 9 1.236 -11.381 1.177 84 HH21 ARG 9 HH22 ARG 9 0.493 -8.394 2.829 85 HH22 ARG 9 HH21 ARG 9 0.141 -10.121 2.768 86 H MET 10 H MET 10 5.709 -5.347 2.591 87 HA MET 10 HA MET 10 6.094 -2.499 2.611 88 HB2 MET 10 HB2 MET 10 6.915 -2.298 4.889 89 HB3 MET 10 HB3 MET 10 5.235 -2.830 4.899 90 HG2 MET 10 HG2 MET 10 6.011 -5.179 5.278 91 HG3 MET 10 HG3 MET 10 7.672 -4.575 5.389 92 HE1 MET 10 HE1 MET 10 7.998 -5.734 7.709 93 HE2 MET 10 HE2 MET 10 6.882 -5.545 9.080 94 HE3 MET 10 HE3 MET 10 6.342 -6.379 7.606 95 H PHE 11 H PHE 11 8.111 -1.953 2.151 96 HA PHE 11 HA PHE 11 10.102 -3.937 1.382 97 HB2 PHE 11 HB2 PHE 11 10.001 -0.896 1.431 98 HB3 PHE 11 HB3 PHE 11 11.405 -1.807 0.912 99 HD1 PHE 11 HD1 PHE 11 11.037 -3.643 -0.917 100 HD2 PHE 11 HD2 PHE 11 8.423 -0.266 -0.262 101 HE1 PHE 11 HE1 PHE 11 10.161 -3.880 -3.224 102 HE2 PHE 11 HE2 PHE 11 7.580 -0.514 -2.599 103 HZ PHE 11 HZ PHE 11 8.431 -2.302 -4.060 104 H ALA 12 H ALA 12 11.915 -4.557 2.596 105 HA ALA 12 HA ALA 12 12.332 -3.781 5.300 106 HB1 ALA 12 HB1 ALA 12 13.229 -5.847 4.283 107 HB2 ALA 12 HB2 ALA 12 14.297 -4.880 3.235 108 HB3 ALA 12 HB3 ALA 12 14.526 -4.870 4.997 109 H ASN 13 H ASN 13 13.230 -2.251 2.305 110 HA ASN 13 HA ASN 13 15.051 -0.247 3.293 111 HB2 ASN 13 HB2 ASN 13 15.026 -1.016 0.990 112 HB3 ASN 13 HB3 ASN 13 13.336 -0.612 0.803 113 HD21 ASN 13 HD21 ASN 13 14.236 2.732 -0.154 114 H GLY 14 H GLY 14 11.815 -0.671 4.140 115 HA2 GLY 14 HA2 GLY 14 10.681 0.635 5.621 116 HA3 GLY 14 HA3 GLY 14 11.787 1.980 5.322 117 H THR 15 H THR 15 9.263 0.130 3.396 118 HA THR 15 HA THR 15 7.664 2.564 3.205 119 HB THR 15 HB THR 15 9.119 1.492 0.784 120 HG1 THR 15 HG1 THR 15 9.610 3.386 2.391 121 HG21 THR 15 HG21 THR 15 7.758 3.077 -0.572 122 HG22 THR 15 HG22 THR 15 6.759 1.765 0.071 123 HG23 THR 15 HG23 THR 15 6.708 3.373 0.826 124 H VAL 16 H VAL 16 5.516 2.079 3.018 125 HA VAL 16 HA VAL 16 4.766 -0.787 2.786 126 HB VAL 16 HB VAL 16 3.477 1.684 3.964 127 HG11 VAL 16 HG11 VAL 16 1.978 -0.890 3.294 128 HG12 VAL 16 HG12 VAL 16 1.401 0.379 4.394 129 HG13 VAL 16 HG13 VAL 16 1.611 0.741 2.684 130 HG21 VAL 16 HG21 VAL 16 3.746 -1.170 4.988 131 HG22 VAL 16 HG22 VAL 16 4.941 0.112 5.317 132 HG23 VAL 16 HG23 VAL 16 3.283 0.263 5.926 133 H TYR 17 H TYR 17 3.362 -1.523 1.241 134 HA TYR 17 HA TYR 17 2.232 0.332 -0.732 135 HB2 TYR 17 HB2 TYR 17 3.367 -0.677 -2.643 136 HB3 TYR 17 HB3 TYR 17 4.550 -0.015 -1.533 137 HD1 TYR 17 HD1 TYR 17 5.948 -1.404 -0.152 138 HD2 TYR 17 HD2 TYR 17 3.315 -3.123 -3.105 139 HE1 TYR 17 HE1 TYR 17 7.305 -3.497 -0.136 140 HE2 TYR 17 HE2 TYR 17 4.678 -5.201 -3.122 141 HH TYR 17 HH TYR 17 6.645 -6.195 -2.374 142 H TYR 18 H TYR 18 1.116 -0.990 -2.442 143 HA TYR 18 HA TYR 18 -0.306 -3.300 -1.269 144 HB2 TYR 18 HB2 TYR 18 -1.283 -1.005 -3.004 145 HB3 TYR 18 HB3 TYR 18 -2.277 -2.351 -2.430 146 HD1 TYR 18 HD2 TYR 18 -2.363 -2.812 0.075 147 HD2 TYR 18 HD1 TYR 18 -0.805 0.884 -1.525 148 HE1 TYR 18 HE2 TYR 18 -2.697 -1.727 2.272 149 HE2 TYR 18 HE1 TYR 18 -0.868 1.868 0.705 150 HH TYR 18 HH TYR 18 -2.932 0.738 3.168 151 H PHE 19 H PHE 19 0.025 -5.129 -2.195 152 HA PHE 19 HA PHE 19 1.089 -5.271 -4.974 153 HB2 PHE 19 HB2 PHE 19 2.531 -5.877 -3.093 154 HB3 PHE 19 HB3 PHE 19 1.358 -7.087 -2.568 155 HD1 PHE 19 HD2 PHE 19 3.717 -6.161 -5.302 156 HD2 PHE 19 HD1 PHE 19 1.346 -9.285 -3.515 157 HE1 PHE 19 HE2 PHE 19 4.923 -7.832 -6.650 158 HE2 PHE 19 HE1 PHE 19 2.572 -10.977 -4.872 159 HZ PHE 19 HZ PHE 19 4.340 -10.258 -6.452 160 H ASN 20 H ASN 20 -0.156 -6.222 -6.470 161 HA ASN 20 HA ASN 20 -2.476 -7.871 -5.814 162 HB2 ASN 20 HB2 ASN 20 -2.353 -6.277 -7.745 163 HB3 ASN 20 HB3 ASN 20 -1.126 -7.300 -8.475 164 HD21 ASN 20 HD22 ASN 20 -4.383 -6.627 -8.593 165 HD22 ASN 20 HD21 ASN 20 -4.924 -8.225 -9.105 166 H HIS 21 H HIS 21 -2.002 -9.868 -4.931 167 HA HIS 21 HA HIS 21 0.450 -11.286 -5.682 168 HB2 HIS 21 HB2 HIS 21 -0.285 -12.932 -3.986 169 HB3 HIS 21 HB3 HIS 21 -0.130 -11.294 -3.388 170 HD2 HIS 21 HD2 HIS 21 -2.999 -13.683 -4.525 171 HE1 HIS 21 HE1 HIS 21 -4.506 -11.055 -1.507 172 HE2 HIS 21 HE2 HIS 21 -5.058 -13.079 -2.989 173 H ILE 22 H ILE 22 -2.000 -10.891 -7.622 174 HA ILE 22 HA ILE 22 -1.834 -13.682 -8.677 175 HB ILE 22 HB ILE 22 -3.944 -11.582 -9.301 176 HG12 ILE 22 HG12 ILE 22 -4.154 -14.073 -7.544 177 HG13 ILE 22 HG13 ILE 22 -4.162 -12.408 -6.963 178 HG21 ILE 22 HG21 ILE 22 -3.762 -14.530 -10.062 179 HG22 ILE 22 HG22 ILE 22 -5.077 -13.414 -10.494 180 HG23 ILE 22 HG23 ILE 22 -3.477 -13.166 -11.163 181 HD11 ILE 22 HD11 ILE 22 -6.254 -11.971 -8.257 182 HD12 ILE 22 HD12 ILE 22 -6.325 -13.711 -8.640 183 HD13 ILE 22 HD13 ILE 22 -6.414 -13.172 -6.960 184 H THR 23 H THR 23 -1.591 -10.176 -9.524 185 HA THR 23 HA THR 23 -0.303 -10.929 -12.101 186 HB THR 23 HB THR 23 -0.685 -8.686 -12.813 187 HG1 THR 23 HG1 THR 23 -1.771 -7.246 -11.367 188 HG21 THR 23 HG21 THR 23 -2.661 -10.215 -12.889 189 HG22 THR 23 HG22 THR 23 -3.206 -9.549 -11.335 190 HG23 THR 23 HG23 THR 23 -3.094 -8.502 -12.766 191 H ASN 24 H ASN 24 0.646 -9.663 -8.991 192 HA ASN 24 HA ASN 24 2.542 -9.073 -8.101 193 HB2 ASN 24 HB2 ASN 24 4.007 -9.082 -10.756 194 HB3 ASN 24 HB3 ASN 24 4.697 -9.068 -9.144 195 HD21 ASN 24 HD22 ASN 24 3.052 -11.042 -11.533 196 HD22 ASN 24 HD21 ASN 24 3.484 -12.590 -10.775 197 H ALA 25 H ALA 25 0.661 -7.185 -10.021 198 HA ALA 25 HA ALA 25 2.176 -4.796 -10.315 199 HB1 ALA 25 HB1 ALA 25 -0.808 -5.166 -9.808 200 HB2 ALA 25 HB2 ALA 25 -0.032 -3.699 -10.435 201 HB3 ALA 25 HB3 ALA 25 -0.001 -5.191 -11.397 202 H SER 26 H SER 26 2.874 -3.241 -8.886 203 HA SER 26 HA SER 26 2.014 -3.411 -6.036 204 HB2 SER 26 HB2 SER 26 4.305 -2.775 -5.461 205 HB3 SER 26 HB3 SER 26 4.289 -4.292 -6.373 206 HG SER 26 HG SER 26 4.550 -1.768 -7.623 207 H GLN 27 H GLN 27 0.981 -1.615 -5.362 208 HA GLN 27 HA GLN 27 1.597 1.009 -6.685 209 HB2 GLN 27 HB2 GLN 27 -0.984 0.143 -5.330 210 HB3 GLN 27 HB3 GLN 27 -0.701 1.606 -6.243 211 HG2 GLN 27 HG2 GLN 27 -1.071 -1.205 -7.213 212 HG3 GLN 27 HG3 GLN 27 -1.958 0.259 -7.658 213 HE21 GLN 27 HE22 GLN 27 -0.202 2.068 -8.748 214 HE22 GLN 27 HE21 GLN 27 0.751 1.229 -9.976 215 H PHE 28 H PHE 28 1.678 2.821 -5.428 216 HA PHE 28 HA PHE 28 2.100 2.441 -2.469 217 HB2 PHE 28 HB2 PHE 28 2.792 4.817 -4.223 218 HB3 PHE 28 HB3 PHE 28 3.128 4.646 -2.498 219 HD1 PHE 28 HD2 PHE 28 4.550 2.558 -1.738 220 HD2 PHE 28 HD1 PHE 28 4.399 4.047 -5.798 221 HE1 PHE 28 HE2 PHE 28 6.634 1.406 -2.242 222 HE2 PHE 28 HE1 PHE 28 6.501 2.837 -6.307 223 HZ PHE 28 HZ PHE 28 7.624 1.495 -4.542 224 H GLU 29 H GLU 29 0.109 3.824 -4.932 225 HA GLU 29 HA GLU 29 -1.667 5.517 -3.612 226 HB2 GLU 29 HB2 GLU 29 -2.479 3.453 -5.703 227 HB3 GLU 29 HB3 GLU 29 -3.195 5.023 -5.367 228 HG2 GLU 29 HG2 GLU 29 -2.025 5.500 -7.283 229 HG3 GLU 29 HG3 GLU 29 -0.825 5.967 -6.085 230 H ARG 30 H ARG 30 -2.617 5.128 -1.699 231 HA ARG 30 HA ARG 30 -2.941 2.462 -0.708 232 HB2 ARG 30 HB2 ARG 30 -1.978 4.316 0.519 233 HB3 ARG 30 HB3 ARG 30 -3.531 5.159 0.549 234 HG2 ARG 30 HG2 ARG 30 -3.836 2.445 1.612 235 HG3 ARG 30 HG3 ARG 30 -2.451 3.236 2.368 236 HD2 ARG 30 HD2 ARG 30 -4.345 3.646 3.745 237 HD3 ARG 30 HD3 ARG 30 -3.887 5.173 2.967 238 HE ARG 30 HE ARG 30 -5.986 3.518 1.653 239 HH11 ARG 30 HH11 ARG 30 -5.467 6.400 3.571 240 HH12 ARG 30 HH12 ARG 30 -7.045 7.038 3.166 241 HH21 ARG 30 HH21 ARG 30 -7.810 4.253 1.208 242 HH22 ARG 30 HH22 ARG 30 -8.416 5.815 1.767 243 HA PRO 31 HA PRO 31 -7.383 2.345 -1.858 244 HB2 PRO 31 HB2 PRO 31 -7.731 -0.307 -1.930 245 HB3 PRO 31 HB3 PRO 31 -6.646 0.500 -3.087 246 HG2 PRO 31 HG2 PRO 31 -5.871 -0.868 -0.505 247 HG3 PRO 31 HG3 PRO 31 -5.186 -1.139 -2.143 248 HD2 PRO 31 HD2 PRO 31 -4.108 0.564 -0.245 249 HD3 PRO 31 HD3 PRO 31 -3.917 0.799 -2.002 250 H SER 32 H SER 32 -8.573 -0.075 -0.358 251 HA SER 32 HA SER 32 -9.603 1.347 1.907 252 HB2 SER 32 HB2 SER 32 -10.927 -0.650 2.281 253 HB3 SER 32 HB3 SER 32 -10.900 -0.264 0.549 254 HG SER 32 HG SER 32 -9.225 -2.102 1.890 255 H GLY 33 H GLY 33 -7.222 1.672 2.635 256 HA2 GLY 33 HA2 GLY 33 -6.253 1.784 4.754 257 HA3 GLY 33 HA3 GLY 33 -7.020 0.269 5.220 258 H1 NAG 101 H1 NAG 34 12.053 0.834 0.032 259 H2 NAG 101 H2 NAG 34 12.589 3.126 -1.939 260 H3 NAG 101 H3 NAG 34 10.086 1.506 -1.293 261 H4 NAG 101 H4 NAG 34 11.829 1.831 -3.800 262 H5 NAG 101 H5 NAG 34 11.232 -0.541 -1.971 263 H61 NAG 101 H61 NAG 34 12.926 -1.795 -3.202 264 H62 NAG 101 H62 NAG 34 11.645 -1.302 -4.315 265 H81 NAG 101 H2M NAG 34 11.803 4.781 2.332 266 H82 NAG 101 H3M NAG 34 10.961 5.773 1.115 267 H83 NAG 101 H1M NAG 34 12.629 6.164 1.583 268 HN2 NAG 101 H2N NAG 34 10.641 3.500 0.212 269 HO3 NAG 101 H3O NAG 34 9.342 2.813 -3.182 270 HO4 NAG 101 H4O NAG 34 10.302 0.448 -4.740 271 HO6 NAG 101 H6O NAG 34 14.089 0.115 -3.860 Start of MODEL 18 1 H1 LYS 1 H1 LYS 1 -12.577 -0.053 -3.302 2 H2 LYS 1 H2 LYS 1 -12.709 1.527 -2.836 3 H3 LYS 1 H3 LYS 1 -11.655 0.507 -2.094 4 HA LYS 1 HA LYS 1 -11.488 1.373 -4.911 5 HB2 LYS 1 HB2 LYS 1 -10.939 3.254 -3.532 6 HB3 LYS 1 HB3 LYS 1 -9.924 2.281 -2.474 7 HG2 LYS 1 HG2 LYS 1 -8.568 3.665 -3.915 8 HG3 LYS 1 HG3 LYS 1 -8.268 1.964 -4.233 9 HD2 LYS 1 HD2 LYS 1 -9.852 2.181 -6.253 10 HD3 LYS 1 HD3 LYS 1 -9.835 3.927 -5.974 11 HE2 LYS 1 HE2 LYS 1 -7.362 2.183 -6.377 12 HE3 LYS 1 HE3 LYS 1 -8.162 3.052 -7.694 13 HZ1 LYS 1 HZ1 LYS 1 -7.529 5.125 -6.705 14 HZ2 LYS 1 HZ2 LYS 1 -7.093 4.411 -5.270 15 HZ3 LYS 1 HZ3 LYS 1 -6.167 4.169 -6.484 16 H LEU 2 H LEU 2 -9.720 -0.378 -2.275 17 HA LEU 2 HA LEU 2 -7.666 -1.408 -3.831 18 HB2 LEU 2 HB2 LEU 2 -7.918 -1.349 -1.360 19 HB3 LEU 2 HB3 LEU 2 -9.127 -2.621 -1.457 20 HG LEU 2 HG LEU 2 -7.430 -4.209 -2.284 21 HD11 LEU 2 HD11 LEU 2 -5.053 -3.604 -2.265 22 HD12 LEU 2 HD12 LEU 2 -5.909 -2.688 -3.497 23 HD13 LEU 2 HD13 LEU 2 -5.456 -1.905 -1.966 24 HD21 LEU 2 HD21 LEU 2 -7.800 -3.959 0.133 25 HD22 LEU 2 HD22 LEU 2 -6.113 -4.357 -0.216 26 HD23 LEU 2 HD23 LEU 2 -6.564 -2.684 0.205 27 HA PRO 3 HA PRO 3 -10.235 -4.298 -6.233 28 HB2 PRO 3 HB2 PRO 3 -7.869 -4.988 -7.846 29 HB3 PRO 3 HB3 PRO 3 -9.360 -4.159 -8.338 30 HG2 PRO 3 HG2 PRO 3 -6.934 -2.855 -8.145 31 HG3 PRO 3 HG3 PRO 3 -8.515 -2.062 -7.864 32 HD2 PRO 3 HD2 PRO 3 -6.576 -3.138 -5.814 33 HD3 PRO 3 HD3 PRO 3 -7.481 -1.595 -5.847 34 HA PRO 4 HA PRO 4 -9.377 -8.303 -4.617 35 HB2 PRO 4 HB2 PRO 4 -9.797 -10.135 -6.645 36 HB3 PRO 4 HB3 PRO 4 -11.091 -9.246 -5.787 37 HG2 PRO 4 HG2 PRO 4 -9.795 -8.552 -8.436 38 HG3 PRO 4 HG3 PRO 4 -11.543 -8.599 -8.037 39 HD2 PRO 4 HD2 PRO 4 -10.162 -6.280 -8.054 40 HD3 PRO 4 HD3 PRO 4 -11.397 -6.580 -6.796 41 H GLY 5 H GLY 5 -7.711 -9.611 -4.121 42 HA2 GLY 5 HA2 GLY 5 -5.754 -10.837 -4.335 43 HA3 GLY 5 HA3 GLY 5 -5.565 -10.271 -5.997 44 H TRP 6 H TRP 6 -5.977 -7.364 -4.606 45 HA TRP 6 HA TRP 6 -3.126 -6.839 -4.210 46 HB2 TRP 6 HB2 TRP 6 -5.585 -5.071 -4.194 47 HB3 TRP 6 HB3 TRP 6 -3.927 -4.528 -4.035 48 HD1 TRP 6 HD1 TRP 6 -6.279 -6.053 -6.621 49 HE1 TRP 6 HE1 TRP 6 -5.563 -5.253 -8.971 50 HE3 TRP 6 HE3 TRP 6 -1.877 -3.760 -5.387 51 HZ2 TRP 6 HZ2 TRP 6 -3.398 -3.760 -10.134 52 HZ3 TRP 6 HZ3 TRP 6 -0.507 -2.685 -7.135 53 HH2 TRP 6 HH2 TRP 6 -1.264 -2.628 -9.494 54 H GLU 7 H GLU 7 -2.186 -6.776 -2.206 55 HA GLU 7 HA GLU 7 -3.822 -5.864 0.095 56 HB2 GLU 7 HB2 GLU 7 -2.866 -7.763 1.470 57 HB3 GLU 7 HB3 GLU 7 -4.162 -8.153 0.344 58 HG2 GLU 7 HG2 GLU 7 -2.620 -9.174 -1.229 59 HG3 GLU 7 HG3 GLU 7 -1.227 -8.588 -0.314 60 H LYS 8 H LYS 8 -2.568 -5.329 2.025 61 HA LYS 8 HA LYS 8 -0.568 -3.479 1.288 62 HB2 LYS 8 HB2 LYS 8 -2.208 -3.335 3.223 63 HB3 LYS 8 HB3 LYS 8 -1.186 -4.463 4.099 64 HG2 LYS 8 HG2 LYS 8 0.538 -2.347 3.117 65 HG3 LYS 8 HG3 LYS 8 -0.922 -1.582 3.706 66 HD2 LYS 8 HD2 LYS 8 0.576 -1.639 5.554 67 HD3 LYS 8 HD3 LYS 8 -0.666 -2.848 5.867 68 HE2 LYS 8 HE2 LYS 8 1.292 -3.956 6.471 69 HE3 LYS 8 HE3 LYS 8 0.987 -4.577 4.847 70 HZ1 LYS 8 HZ1 LYS 8 3.305 -3.932 5.183 71 HZ2 LYS 8 HZ2 LYS 8 2.666 -2.983 4.012 72 HZ3 LYS 8 HZ3 LYS 8 2.872 -2.385 5.527 73 H ARG 9 H ARG 9 1.600 -3.516 1.230 74 HA ARG 9 HA ARG 9 3.179 -5.819 2.211 75 HB2 ARG 9 HB2 ARG 9 2.198 -5.419 -0.346 76 HB3 ARG 9 HB3 ARG 9 3.592 -4.370 -0.394 77 HG2 ARG 9 HG2 ARG 9 4.304 -6.325 -1.267 78 HG3 ARG 9 HG3 ARG 9 4.958 -6.422 0.360 79 HD2 ARG 9 HD2 ARG 9 2.950 -8.123 -1.057 80 HD3 ARG 9 HD3 ARG 9 4.135 -8.589 0.154 81 HE ARG 9 HE ARG 9 2.126 -7.105 1.500 82 HH11 ARG 9 HH11 ARG 9 1.893 -10.175 -0.364 83 HH12 ARG 9 HH12 ARG 9 0.391 -10.473 0.544 84 HH21 ARG 9 HH22 ARG 9 0.385 -7.805 2.520 85 HH22 ARG 9 HH21 ARG 9 -0.305 -9.382 1.984 86 H MET 10 H MET 10 5.632 -5.212 1.807 87 HA MET 10 HA MET 10 6.282 -2.436 2.325 88 HB2 MET 10 HB2 MET 10 7.465 -2.995 4.474 89 HB3 MET 10 HB3 MET 10 5.717 -2.896 4.574 90 HG2 MET 10 HG2 MET 10 7.122 -5.563 4.255 91 HG3 MET 10 HG3 MET 10 6.922 -4.790 5.822 92 HE1 MET 10 HE1 MET 10 4.370 -7.763 5.936 93 HE2 MET 10 HE2 MET 10 5.929 -7.735 5.080 94 HE3 MET 10 HE3 MET 10 5.789 -7.010 6.698 95 H PHE 11 H PHE 11 8.324 -1.948 1.783 96 HA PHE 11 HA PHE 11 10.110 -4.039 0.693 97 HB2 PHE 11 HB2 PHE 11 10.070 -1.028 0.645 98 HB3 PHE 11 HB3 PHE 11 11.422 -1.965 0.038 99 HD1 PHE 11 HD1 PHE 11 10.834 -3.912 -1.647 100 HD2 PHE 11 HD2 PHE 11 8.339 -0.422 -0.981 101 HE1 PHE 11 HE1 PHE 11 9.845 -4.177 -3.899 102 HE2 PHE 11 HE2 PHE 11 7.407 -0.708 -3.259 103 HZ PHE 11 HZ PHE 11 8.158 -2.552 -4.713 104 H ALA 12 H ALA 12 12.347 -4.207 1.377 105 HA ALA 12 HA ALA 12 12.752 -4.244 4.150 106 HB1 ALA 12 HB1 ALA 12 14.786 -4.314 1.878 107 HB2 ALA 12 HB2 ALA 12 15.052 -4.876 3.542 108 HB3 ALA 12 HB3 ALA 12 13.873 -5.707 2.511 109 H ASN 13 H ASN 13 13.054 -1.485 2.107 110 HA ASN 13 HA ASN 13 14.837 -0.011 3.939 111 HB2 ASN 13 HB2 ASN 13 14.571 1.811 2.293 112 HB3 ASN 13 HB3 ASN 13 15.110 0.316 1.533 113 HD21 ASN 13 HD21 ASN 13 14.316 1.427 -0.491 114 H GLY 14 H GLY 14 11.609 -0.922 4.134 115 HA2 GLY 14 HA2 GLY 14 10.168 -0.200 5.828 116 HA3 GLY 14 HA3 GLY 14 10.938 1.386 5.869 117 H THR 15 H THR 15 10.117 0.260 2.632 118 HA THR 15 HA THR 15 8.192 2.509 2.501 119 HB THR 15 HB THR 15 9.420 0.900 0.265 120 HG1 THR 15 HG1 THR 15 10.994 1.854 1.288 121 HG21 THR 15 HG21 THR 15 7.352 2.182 -0.379 122 HG22 THR 15 HG22 THR 15 8.175 3.662 0.164 123 HG23 THR 15 HG23 THR 15 8.840 2.706 -1.186 124 H VAL 16 H VAL 16 6.063 2.162 2.655 125 HA VAL 16 HA VAL 16 4.999 -0.577 2.291 126 HB VAL 16 HB VAL 16 4.018 1.920 3.696 127 HG11 VAL 16 HG11 VAL 16 1.939 0.692 4.313 128 HG12 VAL 16 HG12 VAL 16 1.984 1.107 2.602 129 HG13 VAL 16 HG13 VAL 16 2.332 -0.558 3.112 130 HG21 VAL 16 HG21 VAL 16 5.535 0.320 4.867 131 HG22 VAL 16 HG22 VAL 16 3.927 0.354 5.606 132 HG23 VAL 16 HG23 VAL 16 4.382 -0.991 4.528 133 H TYR 17 H TYR 17 3.394 -1.120 0.951 134 HA TYR 17 HA TYR 17 2.181 0.707 -0.966 135 HB2 TYR 17 HB2 TYR 17 3.162 -0.435 -2.916 136 HB3 TYR 17 HB3 TYR 17 4.432 0.265 -1.936 137 HD1 TYR 17 HD1 TYR 17 5.806 -1.123 -0.410 138 HD2 TYR 17 HD2 TYR 17 3.248 -2.878 -3.410 139 HE1 TYR 17 HE1 TYR 17 7.169 -3.170 -0.377 140 HE2 TYR 17 HE2 TYR 17 4.709 -4.897 -3.432 141 HH TYR 17 HH TYR 17 7.605 -5.168 -1.402 142 H TYR 18 H TYR 18 0.716 -0.747 -2.427 143 HA TYR 18 HA TYR 18 -0.081 -3.292 -1.105 144 HB2 TYR 18 HB2 TYR 18 -1.588 -1.338 -2.871 145 HB3 TYR 18 HB3 TYR 18 -2.163 -2.976 -2.549 146 HD1 TYR 18 HD1 TYR 18 -0.871 0.047 -0.684 147 HD2 TYR 18 HD2 TYR 18 -3.573 -3.321 -0.677 148 HE1 TYR 18 HE1 TYR 18 -1.422 0.533 1.548 149 HE2 TYR 18 HE2 TYR 18 -4.498 -2.542 1.488 150 HH TYR 18 HH TYR 18 -4.452 -0.047 2.704 151 H PHE 19 H PHE 19 -0.076 -5.179 -2.133 152 HA PHE 19 HA PHE 19 1.182 -5.278 -4.843 153 HB2 PHE 19 HB2 PHE 19 2.703 -5.739 -2.956 154 HB3 PHE 19 HB3 PHE 19 1.608 -6.980 -2.372 155 HD1 PHE 19 HD2 PHE 19 3.649 -6.031 -5.399 156 HD2 PHE 19 HD1 PHE 19 1.871 -9.220 -3.103 157 HE1 PHE 19 HE2 PHE 19 4.860 -7.698 -6.772 158 HE2 PHE 19 HE1 PHE 19 3.104 -10.889 -4.482 159 HZ PHE 19 HZ PHE 19 4.586 -10.130 -6.319 160 H ASN 20 H ASN 20 0.122 -6.452 -6.315 161 HA ASN 20 HA ASN 20 -2.134 -8.153 -5.499 162 HB2 ASN 20 HB2 ASN 20 -2.278 -6.595 -7.474 163 HB3 ASN 20 HB3 ASN 20 -1.114 -7.618 -8.294 164 HD21 ASN 20 HD22 ASN 20 -4.425 -7.137 -7.709 165 HD22 ASN 20 HD21 ASN 20 -5.004 -8.739 -8.080 166 H HIS 21 H HIS 21 -1.357 -10.025 -4.536 167 HA HIS 21 HA HIS 21 1.006 -11.313 -5.713 168 HB2 HIS 21 HB2 HIS 21 0.816 -13.002 -3.992 169 HB3 HIS 21 HB3 HIS 21 0.886 -11.368 -3.382 170 HD2 HIS 21 HD2 HIS 21 -2.696 -11.873 -4.240 171 HE1 HIS 21 HE1 HIS 21 -2.265 -12.987 -0.150 172 HE2 HIS 21 HE2 HIS 21 -3.920 -12.336 -1.939 173 H ILE 22 H ILE 22 -1.905 -11.219 -7.107 174 HA ILE 22 HA ILE 22 -1.761 -14.021 -8.093 175 HB ILE 22 HB ILE 22 -3.781 -11.901 -8.898 176 HG12 ILE 22 HG12 ILE 22 -4.054 -13.986 -6.684 177 HG13 ILE 22 HG13 ILE 22 -3.980 -12.237 -6.455 178 HG21 ILE 22 HG21 ILE 22 -3.460 -13.843 -10.431 179 HG22 ILE 22 HG22 ILE 22 -3.834 -14.942 -9.089 180 HG23 ILE 22 HG23 ILE 22 -5.062 -13.819 -9.718 181 HD11 ILE 22 HD11 ILE 22 -6.091 -11.991 -7.781 182 HD12 ILE 22 HD12 ILE 22 -6.239 -13.768 -7.777 183 HD13 ILE 22 HD13 ILE 22 -6.260 -12.877 -6.251 184 H THR 23 H THR 23 -1.417 -10.587 -9.140 185 HA THR 23 HA THR 23 -0.360 -11.503 -11.770 186 HB THR 23 HB THR 23 -0.720 -9.267 -12.545 187 HG1 THR 23 HG1 THR 23 -1.662 -7.749 -11.101 188 HG21 THR 23 HG21 THR 23 -3.157 -10.019 -10.877 189 HG22 THR 23 HG22 THR 23 -3.118 -9.031 -12.352 190 HG23 THR 23 HG23 THR 23 -2.729 -10.758 -12.435 191 H ASN 24 H ASN 24 0.840 -10.089 -8.828 192 HA ASN 24 HA ASN 24 2.837 -9.549 -8.091 193 HB2 ASN 24 HB2 ASN 24 4.087 -9.697 -10.852 194 HB3 ASN 24 HB3 ASN 24 4.905 -9.605 -9.304 195 HD21 ASN 24 HD22 ASN 24 3.056 -11.690 -11.439 196 HD22 ASN 24 HD21 ASN 24 3.546 -13.197 -10.634 197 H ALA 25 H ALA 25 0.787 -7.712 -9.800 198 HA ALA 25 HA ALA 25 2.372 -5.368 -10.332 199 HB1 ALA 25 HB1 ALA 25 0.204 -4.257 -10.536 200 HB2 ALA 25 HB2 ALA 25 0.158 -5.831 -11.345 201 HB3 ALA 25 HB3 ALA 25 -0.607 -5.630 -9.748 202 H SER 26 H SER 26 2.404 -3.325 -9.161 203 HA SER 26 HA SER 26 1.921 -3.468 -6.233 204 HB2 SER 26 HB2 SER 26 4.148 -2.513 -5.854 205 HB3 SER 26 HB3 SER 26 4.268 -4.089 -6.642 206 HG SER 26 HG SER 26 4.151 -1.689 -8.146 207 H GLN 27 H GLN 27 1.117 -1.621 -5.369 208 HA GLN 27 HA GLN 27 1.154 0.924 -6.925 209 HB2 GLN 27 HB2 GLN 27 -0.966 -0.060 -7.366 210 HB3 GLN 27 HB3 GLN 27 -1.133 -0.651 -5.715 211 HG2 GLN 27 HG2 GLN 27 -2.696 1.125 -6.101 212 HG3 GLN 27 HG3 GLN 27 -1.536 1.584 -4.871 213 HE21 GLN 27 HE22 GLN 27 -3.249 3.571 -6.400 214 HE22 GLN 27 HE21 GLN 27 -2.061 4.381 -7.409 215 H PHE 28 H PHE 28 1.927 2.605 -5.732 216 HA PHE 28 HA PHE 28 2.605 2.173 -2.926 217 HB2 PHE 28 HB2 PHE 28 3.057 4.453 -4.872 218 HB3 PHE 28 HB3 PHE 28 3.521 4.547 -3.176 219 HD1 PHE 28 HD2 PHE 28 4.969 2.638 -2.196 220 HD2 PHE 28 HD1 PHE 28 4.618 3.466 -6.415 221 HE1 PHE 28 HE2 PHE 28 7.112 1.468 -2.604 222 HE2 PHE 28 HE1 PHE 28 6.767 2.294 -6.819 223 HZ PHE 28 HZ PHE 28 8.026 1.302 -4.915 224 H GLU 29 H GLU 29 -0.188 3.482 -4.401 225 HA GLU 29 HA GLU 29 -1.088 5.319 -2.388 226 HB2 GLU 29 HB2 GLU 29 -2.124 4.996 -4.607 227 HB3 GLU 29 HB3 GLU 29 -2.548 3.335 -4.150 228 HG2 GLU 29 HG2 GLU 29 -4.039 4.286 -2.355 229 HG3 GLU 29 HG3 GLU 29 -3.758 5.878 -3.075 230 H ARG 30 H ARG 30 -2.140 4.956 -0.427 231 HA ARG 30 HA ARG 30 -2.381 2.164 0.538 232 HB2 ARG 30 HB2 ARG 30 -0.682 3.373 1.724 233 HB3 ARG 30 HB3 ARG 30 -1.789 4.714 2.060 234 HG2 ARG 30 HG2 ARG 30 -3.168 3.257 3.500 235 HG3 ARG 30 HG3 ARG 30 -2.155 1.867 3.103 236 HD2 ARG 30 HD2 ARG 30 -0.210 2.979 4.147 237 HD3 ARG 30 HD3 ARG 30 -1.233 4.386 4.526 238 HE ARG 30 HE ARG 30 -2.397 1.956 5.533 239 HH11 ARG 30 HH21 ARG 30 0.126 4.231 6.320 240 HH12 ARG 30 HH22 ARG 30 0.040 3.938 8.037 241 HH21 ARG 30 HH11 ARG 30 -2.507 1.589 7.745 242 HH22 ARG 30 HH12 ARG 30 -1.451 2.452 8.819 243 HA PRO 31 HA PRO 31 -6.751 3.431 0.743 244 HB2 PRO 31 HB2 PRO 31 -7.893 1.328 -0.488 245 HB3 PRO 31 HB3 PRO 31 -7.039 2.580 -1.441 246 HG2 PRO 31 HG2 PRO 31 -6.011 -0.124 -0.555 247 HG3 PRO 31 HG3 PRO 31 -5.875 0.637 -2.174 248 HD2 PRO 31 HD2 PRO 31 -3.954 0.690 -0.151 249 HD3 PRO 31 HD3 PRO 31 -3.992 1.846 -1.483 250 H SER 32 H SER 32 -8.476 2.376 2.027 251 HA SER 32 HA SER 32 -7.554 0.331 3.962 252 HB2 SER 32 HB2 SER 32 -9.548 1.164 5.237 253 HB3 SER 32 HB3 SER 32 -8.305 2.398 4.945 254 HG SER 32 HG SER 32 -10.495 3.085 4.479 255 H GLY 33 H GLY 33 -9.355 0.489 1.067 256 HA2 GLY 33 HA2 GLY 33 -10.314 -2.076 0.896 257 HA3 GLY 33 HA3 GLY 33 -11.618 -1.133 1.648 258 H1 NAG 101 H1 NAG 34 11.534 0.455 -0.863 259 H2 NAG 101 H2 NAG 34 12.968 2.388 -2.756 260 H3 NAG 101 H3 NAG 34 10.216 1.037 -2.667 261 H4 NAG 101 H4 NAG 34 12.558 0.892 -4.605 262 H5 NAG 101 H5 NAG 34 11.402 -1.202 -2.731 263 H61 NAG 101 H61 NAG 34 13.173 -2.666 -3.314 264 H62 NAG 101 H62 NAG 34 12.568 -2.069 -4.862 265 H81 NAG 101 H2M NAG 34 9.887 5.416 -0.851 266 H82 NAG 101 H3M NAG 34 11.145 6.502 -1.483 267 H83 NAG 101 H1M NAG 34 11.495 5.455 -0.091 268 HN2 NAG 101 H2N NAG 34 11.215 3.031 -0.524 269 HO3 NAG 101 H3O NAG 34 10.935 3.378 -3.881 270 HO4 NAG 101 H4O NAG 34 10.309 0.739 -5.281 271 HO6 NAG 101 H6O NAG 34 14.683 -0.838 -3.395 Start of MODEL 19 1 H1 LYS 1 H1 LYS 1 -6.289 2.507 -2.619 2 H2 LYS 1 H2 LYS 1 -6.948 3.960 -2.996 3 H3 LYS 1 H3 LYS 1 -6.660 2.883 -4.198 4 HA LYS 1 HA LYS 1 -8.373 1.984 -2.041 5 HB2 LYS 1 HB2 LYS 1 -9.482 3.524 -4.421 6 HB3 LYS 1 HB3 LYS 1 -10.365 2.886 -3.030 7 HG2 LYS 1 HG2 LYS 1 -8.375 5.199 -3.046 8 HG3 LYS 1 HG3 LYS 1 -10.109 5.329 -2.887 9 HD2 LYS 1 HD2 LYS 1 -10.148 4.594 -0.689 10 HD3 LYS 1 HD3 LYS 1 -8.635 3.706 -0.793 11 HE2 LYS 1 HE2 LYS 1 -8.642 6.729 -1.061 12 HE3 LYS 1 HE3 LYS 1 -8.704 5.942 0.524 13 HZ1 LYS 1 HZ1 LYS 1 -6.491 5.599 -1.456 14 HZ2 LYS 1 HZ2 LYS 1 -6.418 6.278 0.066 15 HZ3 LYS 1 HZ3 LYS 1 -6.686 4.717 -0.063 16 H LEU 2 H LEU 2 -8.796 -0.245 -2.595 17 HA LEU 2 HA LEU 2 -8.435 -0.969 -5.410 18 HB2 LEU 2 HB2 LEU 2 -6.525 -2.443 -4.963 19 HB3 LEU 2 HB3 LEU 2 -6.182 -0.757 -4.690 20 HG LEU 2 HG LEU 2 -6.324 -1.183 -2.168 21 HD11 LEU 2 HD11 LEU 2 -6.923 -3.951 -3.150 22 HD12 LEU 2 HD12 LEU 2 -5.917 -3.748 -1.703 23 HD13 LEU 2 HD13 LEU 2 -7.556 -3.086 -1.754 24 HD21 LEU 2 HD21 LEU 2 -4.237 -1.031 -3.367 25 HD22 LEU 2 HD22 LEU 2 -4.186 -2.238 -2.090 26 HD23 LEU 2 HD23 LEU 2 -4.326 -2.751 -3.789 27 HA PRO 3 HA PRO 3 -11.044 -4.352 -4.245 28 HB2 PRO 3 HB2 PRO 3 -10.998 -5.880 -6.482 29 HB3 PRO 3 HB3 PRO 3 -11.535 -4.174 -6.547 30 HG2 PRO 3 HG2 PRO 3 -8.770 -5.283 -7.171 31 HG3 PRO 3 HG3 PRO 3 -9.787 -4.221 -8.199 32 HD2 PRO 3 HD2 PRO 3 -7.847 -3.245 -6.525 33 HD3 PRO 3 HD3 PRO 3 -9.355 -2.350 -6.870 34 HA PRO 4 HA PRO 4 -9.034 -8.111 -2.739 35 HB2 PRO 4 HB2 PRO 4 -11.086 -9.596 -4.395 36 HB3 PRO 4 HB3 PRO 4 -10.575 -9.897 -2.703 37 HG2 PRO 4 HG2 PRO 4 -12.892 -8.591 -3.206 38 HG3 PRO 4 HG3 PRO 4 -11.789 -7.986 -1.924 39 HD2 PRO 4 HD2 PRO 4 -12.112 -6.979 -4.756 40 HD3 PRO 4 HD3 PRO 4 -11.970 -6.050 -3.231 41 H GLY 5 H GLY 5 -7.401 -9.460 -3.412 42 HA2 GLY 5 HA2 GLY 5 -6.294 -10.809 -5.193 43 HA3 GLY 5 HA3 GLY 5 -6.749 -9.540 -6.339 44 H TRP 6 H TRP 6 -6.189 -7.383 -4.250 45 HA TRP 6 HA TRP 6 -3.243 -7.288 -4.400 46 HB2 TRP 6 HB2 TRP 6 -5.380 -5.339 -3.573 47 HB3 TRP 6 HB3 TRP 6 -3.663 -5.003 -3.527 48 HD1 TRP 6 HD1 TRP 6 -6.488 -5.632 -6.052 49 HE1 TRP 6 HE1 TRP 6 -5.922 -4.444 -8.269 50 HE3 TRP 6 HE3 TRP 6 -1.742 -4.077 -4.955 51 HZ2 TRP 6 HZ2 TRP 6 -3.677 -3.052 -9.425 52 HZ3 TRP 6 HZ3 TRP 6 -0.404 -2.847 -6.631 53 HH2 TRP 6 HH2 TRP 6 -1.356 -2.320 -8.863 54 H GLU 7 H GLU 7 -1.936 -7.330 -2.593 55 HA GLU 7 HA GLU 7 -3.206 -7.654 0.083 56 HB2 GLU 7 HB2 GLU 7 -2.224 -9.707 -1.532 57 HB3 GLU 7 HB3 GLU 7 -0.842 -9.339 -0.522 58 HG2 GLU 7 HG2 GLU 7 -3.658 -9.925 0.517 59 HG3 GLU 7 HG3 GLU 7 -2.393 -11.143 0.325 60 H LYS 8 H LYS 8 -1.777 -7.221 1.897 61 HA LYS 8 HA LYS 8 -0.361 -4.722 1.386 62 HB2 LYS 8 HB2 LYS 8 -0.454 -4.406 3.740 63 HB3 LYS 8 HB3 LYS 8 -1.966 -5.164 3.257 64 HG2 LYS 8 HG2 LYS 8 -0.788 -7.421 3.966 65 HG3 LYS 8 HG3 LYS 8 0.377 -6.369 4.760 66 HD2 LYS 8 HD2 LYS 8 -1.204 -7.001 6.418 67 HD3 LYS 8 HD3 LYS 8 -1.509 -5.308 6.038 68 HE2 LYS 8 HE2 LYS 8 -3.621 -6.459 6.265 69 HE3 LYS 8 HE3 LYS 8 -3.416 -5.989 4.574 70 HZ1 LYS 8 HZ1 LYS 8 -4.216 -8.293 4.855 71 HZ2 LYS 8 HZ2 LYS 8 -2.818 -8.248 4.025 72 HZ3 LYS 8 HZ3 LYS 8 -2.801 -8.704 5.601 73 H ARG 9 H ARG 9 1.817 -4.206 1.493 74 HA ARG 9 HA ARG 9 3.782 -6.257 2.428 75 HB2 ARG 9 HB2 ARG 9 3.834 -4.776 -0.211 76 HB3 ARG 9 HB3 ARG 9 5.115 -5.846 0.363 77 HG2 ARG 9 HG2 ARG 9 2.376 -6.640 -0.608 78 HG3 ARG 9 HG3 ARG 9 3.918 -6.891 -1.407 79 HD2 ARG 9 HD2 ARG 9 4.717 -8.462 0.140 80 HD3 ARG 9 HD3 ARG 9 3.461 -8.108 1.298 81 HE ARG 9 HE ARG 9 3.116 -9.592 -1.277 82 HH11 ARG 9 HH21 ARG 9 1.649 -8.781 1.830 83 HH12 ARG 9 HH22 ARG 9 0.532 -10.106 1.786 84 HH21 ARG 9 HH12 ARG 9 1.592 -11.294 -1.291 85 HH22 ARG 9 HH11 ARG 9 0.537 -11.438 0.097 86 H MET 10 H MET 10 6.063 -5.321 2.252 87 HA MET 10 HA MET 10 6.324 -2.450 2.423 88 HB2 MET 10 HB2 MET 10 7.294 -2.367 4.607 89 HB3 MET 10 HB3 MET 10 5.692 -3.075 4.750 90 HG2 MET 10 HG2 MET 10 8.306 -4.631 4.789 91 HG3 MET 10 HG3 MET 10 7.388 -4.132 6.198 92 HE1 MET 10 HE1 MET 10 7.600 -6.622 7.072 93 HE2 MET 10 HE2 MET 10 7.042 -8.038 6.151 94 HE3 MET 10 HE3 MET 10 8.433 -7.095 5.570 95 H PHE 11 H PHE 11 8.314 -1.769 1.850 96 HA PHE 11 HA PHE 11 10.262 -3.680 0.773 97 HB2 PHE 11 HB2 PHE 11 10.039 -0.679 0.876 98 HB3 PHE 11 HB3 PHE 11 11.450 -1.494 0.228 99 HD1 PHE 11 HD1 PHE 11 11.045 -3.336 -1.583 100 HD2 PHE 11 HD2 PHE 11 8.217 -0.179 -0.670 101 HE1 PHE 11 HE1 PHE 11 10.053 -3.558 -3.842 102 HE2 PHE 11 HE2 PHE 11 7.274 -0.417 -2.958 103 HZ PHE 11 HZ PHE 11 8.192 -2.067 -4.532 104 H ALA 12 H ALA 12 12.564 -3.636 1.385 105 HA ALA 12 HA ALA 12 13.019 -3.895 4.142 106 HB1 ALA 12 HB1 ALA 12 15.005 -3.520 1.858 107 HB2 ALA 12 HB2 ALA 12 15.365 -4.202 3.457 108 HB3 ALA 12 HB3 ALA 12 14.268 -5.061 2.362 109 H ASN 13 H ASN 13 12.962 -0.945 2.369 110 HA ASN 13 HA ASN 13 14.574 0.554 4.343 111 HB2 ASN 13 HB2 ASN 13 14.123 2.467 2.841 112 HB3 ASN 13 HB3 ASN 13 14.843 1.109 1.979 113 HD21 ASN 13 HD21 ASN 13 13.959 2.235 0.008 114 H GLY 14 H GLY 14 11.472 -0.725 4.394 115 HA2 GLY 14 HA2 GLY 14 9.918 -0.330 6.077 116 HA3 GLY 14 HA3 GLY 14 10.515 1.316 6.306 117 H THR 15 H THR 15 9.825 0.390 2.944 118 HA THR 15 HA THR 15 7.732 2.494 2.984 119 HB THR 15 HB THR 15 9.128 1.202 0.643 120 HG1 THR 15 HG1 THR 15 10.588 2.214 1.784 121 HG21 THR 15 HG21 THR 15 7.640 3.844 0.747 122 HG22 THR 15 HG22 THR 15 8.382 3.052 -0.669 123 HG23 THR 15 HG23 THR 15 6.944 2.349 0.089 124 H VAL 16 H VAL 16 5.627 1.931 3.082 125 HA VAL 16 HA VAL 16 4.901 -0.892 2.660 126 HB VAL 16 HB VAL 16 3.694 1.476 4.086 127 HG11 VAL 16 HG11 VAL 16 1.702 0.115 4.676 128 HG12 VAL 16 HG12 VAL 16 1.714 0.562 2.971 129 HG13 VAL 16 HG13 VAL 16 2.168 -1.091 3.458 130 HG21 VAL 16 HG21 VAL 16 5.329 -0.108 5.184 131 HG22 VAL 16 HG22 VAL 16 3.742 -0.070 5.972 132 HG23 VAL 16 HG23 VAL 16 4.156 -1.422 4.899 133 H TYR 17 H TYR 17 3.433 -1.669 1.250 134 HA TYR 17 HA TYR 17 1.994 0.128 -0.587 135 HB2 TYR 17 HB2 TYR 17 3.061 -0.848 -2.585 136 HB3 TYR 17 HB3 TYR 17 4.256 -0.080 -1.583 137 HD1 TYR 17 HD1 TYR 17 5.874 -1.326 -0.280 138 HD2 TYR 17 HD2 TYR 17 3.206 -3.376 -2.991 139 HE1 TYR 17 HE1 TYR 17 7.410 -3.242 -0.331 140 HE2 TYR 17 HE2 TYR 17 4.758 -5.330 -3.014 141 HH TYR 17 HH TYR 17 7.838 -5.307 -1.236 142 H TYR 18 H TYR 18 0.645 -1.233 -2.105 143 HA TYR 18 HA TYR 18 0.059 -3.962 -1.111 144 HB2 TYR 18 HB2 TYR 18 -1.595 -1.874 -2.537 145 HB3 TYR 18 HB3 TYR 18 -2.046 -3.581 -2.545 146 HD1 TYR 18 HD2 TYR 18 -1.071 -0.829 -0.172 147 HD2 TYR 18 HD1 TYR 18 -3.259 -4.516 -0.737 148 HE1 TYR 18 HE2 TYR 18 -1.530 -0.860 2.122 149 HE2 TYR 18 HE1 TYR 18 -4.102 -4.331 1.577 150 HH TYR 18 HH TYR 18 -2.817 -1.870 3.862 151 H PHE 19 H PHE 19 -0.068 -5.647 -2.361 152 HA PHE 19 HA PHE 19 1.273 -5.582 -5.018 153 HB2 PHE 19 HB2 PHE 19 2.633 -6.260 -3.114 154 HB3 PHE 19 HB3 PHE 19 1.460 -7.495 -2.665 155 HD1 PHE 19 HD2 PHE 19 1.229 -9.571 -4.021 156 HD2 PHE 19 HD1 PHE 19 4.140 -6.535 -4.989 157 HE1 PHE 19 HE2 PHE 19 2.466 -11.198 -5.441 158 HE2 PHE 19 HE1 PHE 19 5.370 -8.132 -6.368 159 HZ PHE 19 HZ PHE 19 4.527 -10.490 -6.628 160 H ASN 20 H ASN 20 -0.128 -6.151 -6.566 161 HA ASN 20 HA ASN 20 -2.481 -7.784 -6.182 162 HB2 ASN 20 HB2 ASN 20 -2.177 -5.996 -7.934 163 HB3 ASN 20 HB3 ASN 20 -0.993 -7.024 -8.708 164 HD21 ASN 20 HD22 ASN 20 -4.455 -6.640 -7.949 165 HD22 ASN 20 HD21 ASN 20 -4.949 -7.960 -9.005 166 H HIS 21 H HIS 21 -2.052 -9.857 -5.367 167 HA HIS 21 HA HIS 21 0.252 -11.356 -6.325 168 HB2 HIS 21 HB2 HIS 21 -0.510 -13.105 -4.843 169 HB3 HIS 21 HB3 HIS 21 -0.506 -11.550 -4.036 170 HD2 HIS 21 HD2 HIS 21 -3.194 -13.760 -5.859 171 HE1 HIS 21 HE1 HIS 21 -4.995 -11.937 -2.447 172 HE2 HIS 21 HE2 HIS 21 -5.382 -13.535 -4.408 173 H ILE 22 H ILE 22 -2.406 -10.656 -8.104 174 HA ILE 22 HA ILE 22 -2.595 -13.331 -9.380 175 HB ILE 22 HB ILE 22 -4.171 -10.782 -9.925 176 HG12 ILE 22 HG12 ILE 22 -4.967 -13.228 -8.279 177 HG13 ILE 22 HG13 ILE 22 -4.595 -11.636 -7.621 178 HG21 ILE 22 HG21 ILE 22 -5.720 -12.277 -11.154 179 HG22 ILE 22 HG22 ILE 22 -4.125 -12.303 -11.865 180 HG23 ILE 22 HG23 ILE 22 -4.642 -13.655 -10.835 181 HD11 ILE 22 HD11 ILE 22 -6.996 -12.333 -9.326 182 HD12 ILE 22 HD12 ILE 22 -6.950 -11.840 -7.632 183 HD13 ILE 22 HD13 ILE 22 -6.517 -10.670 -8.893 184 H THR 23 H THR 23 -0.990 -10.266 -9.662 185 HA THR 23 HA THR 23 0.027 -10.963 -12.408 186 HB THR 23 HB THR 23 -0.037 -8.545 -12.922 187 HG1 THR 23 HG1 THR 23 -1.592 -8.334 -10.567 188 HG21 THR 23 HG21 THR 23 -1.973 -9.935 -13.602 189 HG22 THR 23 HG22 THR 23 -2.788 -9.553 -12.072 190 HG23 THR 23 HG23 THR 23 -2.428 -8.261 -13.236 191 H ASN 24 H ASN 24 0.869 -9.794 -9.220 192 HA ASN 24 HA ASN 24 2.734 -9.360 -8.196 193 HB2 ASN 24 HB2 ASN 24 4.366 -9.394 -10.754 194 HB3 ASN 24 HB3 ASN 24 4.953 -9.435 -9.104 195 HD21 ASN 24 HD22 ASN 24 3.388 -11.294 -11.626 196 HD22 ASN 24 HD21 ASN 24 3.727 -12.874 -10.885 197 H ALA 25 H ALA 25 0.980 -7.335 -10.062 198 HA ALA 25 HA ALA 25 2.718 -5.066 -10.294 199 HB1 ALA 25 HB1 ALA 25 -0.319 -5.205 -10.038 200 HB2 ALA 25 HB2 ALA 25 0.625 -3.825 -10.629 201 HB3 ALA 25 HB3 ALA 25 0.603 -5.341 -11.551 202 H SER 26 H SER 26 3.441 -3.618 -8.759 203 HA SER 26 HA SER 26 2.265 -3.708 -6.026 204 HB2 SER 26 HB2 SER 26 4.492 -2.987 -5.275 205 HB3 SER 26 HB3 SER 26 4.568 -4.532 -6.130 206 HG SER 26 HG SER 26 4.902 -2.043 -7.452 207 H GLN 27 H GLN 27 1.351 -1.833 -5.231 208 HA GLN 27 HA GLN 27 2.313 0.750 -6.293 209 HB2 GLN 27 HB2 GLN 27 0.391 0.046 -7.711 210 HB3 GLN 27 HB3 GLN 27 -0.627 -0.063 -6.276 211 HG2 GLN 27 HG2 GLN 27 -0.990 2.015 -7.583 212 HG3 GLN 27 HG3 GLN 27 -0.489 2.348 -5.934 213 HE21 GLN 27 HE22 GLN 27 0.475 2.641 -9.374 214 HE22 GLN 27 HE21 GLN 27 1.902 3.582 -8.968 215 H PHE 28 H PHE 28 2.038 2.502 -4.956 216 HA PHE 28 HA PHE 28 2.133 1.877 -2.132 217 HB2 PHE 28 HB2 PHE 28 2.348 4.507 -3.641 218 HB3 PHE 28 HB3 PHE 28 2.794 4.243 -1.956 219 HD1 PHE 28 HD2 PHE 28 4.486 2.295 -1.479 220 HD2 PHE 28 HD1 PHE 28 4.054 4.257 -5.297 221 HE1 PHE 28 HE2 PHE 28 6.760 1.573 -2.111 222 HE2 PHE 28 HE1 PHE 28 6.338 3.519 -5.928 223 HZ PHE 28 HZ PHE 28 7.702 2.182 -4.335 224 H GLU 29 H GLU 29 -0.585 2.343 -3.952 225 HA GLU 29 HA GLU 29 -2.084 3.922 -1.959 226 HB2 GLU 29 HB2 GLU 29 -2.474 3.275 -4.755 227 HB3 GLU 29 HB3 GLU 29 -3.855 2.692 -3.840 228 HG2 GLU 29 HG2 GLU 29 -2.759 5.529 -3.576 229 HG3 GLU 29 HG3 GLU 29 -4.010 5.062 -4.731 230 H ARG 30 H ARG 30 -3.975 3.060 -0.976 231 HA ARG 30 HA ARG 30 -3.610 0.246 -0.036 232 HB2 ARG 30 HB2 ARG 30 -4.516 2.649 1.595 233 HB3 ARG 30 HB3 ARG 30 -4.216 1.008 2.155 234 HG2 ARG 30 HG2 ARG 30 -2.502 2.358 2.979 235 HG3 ARG 30 HG3 ARG 30 -1.829 1.246 1.801 236 HD2 ARG 30 HD2 ARG 30 -0.791 3.465 1.752 237 HD3 ARG 30 HD3 ARG 30 -1.484 2.983 0.216 238 HE ARG 30 HE ARG 30 -3.337 4.622 1.800 239 HH11 ARG 30 HH11 ARG 30 -0.553 4.903 -0.387 240 HH12 ARG 30 HH12 ARG 30 -0.907 6.589 -0.694 241 HH21 ARG 30 HH21 ARG 30 -3.882 6.598 1.087 242 HH22 ARG 30 HH22 ARG 30 -2.771 7.538 0.117 243 HA PRO 31 HA PRO 31 -7.939 -0.568 -0.782 244 HB2 PRO 31 HB2 PRO 31 -8.353 -1.367 2.065 245 HB3 PRO 31 HB3 PRO 31 -8.715 -2.277 0.574 246 HG2 PRO 31 HG2 PRO 31 -6.541 -2.825 2.174 247 HG3 PRO 31 HG3 PRO 31 -6.505 -3.044 0.408 248 HD2 PRO 31 HD2 PRO 31 -5.315 -0.858 2.057 249 HD3 PRO 31 HD3 PRO 31 -4.750 -1.560 0.507 250 H SER 32 H SER 32 -7.432 0.715 2.180 251 HA SER 32 HA SER 32 -9.622 2.774 2.184 252 HB2 SER 32 HB2 SER 32 -9.395 1.220 4.147 253 HB3 SER 32 HB3 SER 32 -7.823 1.965 4.503 254 HG SER 32 HG SER 32 -9.691 2.876 5.627 255 H GLY 33 H GLY 33 -8.386 4.551 3.914 256 HA2 GLY 33 HA2 GLY 33 -7.435 6.744 2.933 257 HA3 GLY 33 HA3 GLY 33 -6.572 6.030 4.290 258 H1 NAG 101 H1 NAG 34 11.287 1.023 -0.463 259 H2 NAG 101 H2 NAG 34 12.526 3.220 -2.199 260 H3 NAG 101 H3 NAG 34 9.923 1.601 -2.233 261 H4 NAG 101 H4 NAG 34 12.274 1.826 -4.154 262 H5 NAG 101 H5 NAG 34 11.319 -0.497 -2.444 263 H61 NAG 101 H61 NAG 34 13.199 -1.753 -3.122 264 H62 NAG 101 H62 NAG 34 12.581 -1.076 -4.631 265 H81 NAG 101 H2M NAG 34 9.155 5.817 -0.134 266 H82 NAG 101 H3M NAG 34 10.356 7.033 -0.624 267 H83 NAG 101 H1M NAG 34 10.734 5.890 0.683 268 HN2 NAG 101 H2N NAG 34 10.715 3.522 0.057 269 HO3 NAG 101 H3O NAG 34 10.404 4.083 -3.268 270 HO4 NAG 101 H4O NAG 34 10.038 1.492 -4.851 271 HO6 NAG 101 H6O NAG 34 14.543 0.210 -3.012 Start of MODEL 20 1 H1 LYS 1 H1 LYS 1 -12.461 -0.789 -2.932 2 H2 LYS 1 H2 LYS 1 -12.791 0.428 -1.857 3 H3 LYS 1 H3 LYS 1 -11.590 -0.580 -1.524 4 HA LYS 1 HA LYS 1 -11.718 1.444 -3.642 5 HB2 LYS 1 HB2 LYS 1 -11.130 2.273 -1.443 6 HB3 LYS 1 HB3 LYS 1 -9.831 1.086 -1.290 7 HG2 LYS 1 HG2 LYS 1 -8.638 2.204 -3.196 8 HG3 LYS 1 HG3 LYS 1 -9.976 3.375 -3.316 9 HD2 LYS 1 HD2 LYS 1 -9.590 4.044 -0.969 10 HD3 LYS 1 HD3 LYS 1 -8.277 2.861 -0.838 11 HE2 LYS 1 HE2 LYS 1 -7.071 4.102 -2.672 12 HE3 LYS 1 HE3 LYS 1 -8.327 5.353 -2.576 13 HZ1 LYS 1 HZ1 LYS 1 -6.565 4.455 -0.368 14 HZ2 LYS 1 HZ2 LYS 1 -6.392 5.865 -1.165 15 HZ3 LYS 1 HZ3 LYS 1 -7.748 5.582 -0.189 16 H LEU 2 H LEU 2 -8.825 -0.444 -2.476 17 HA LEU 2 HA LEU 2 -8.129 -0.933 -5.220 18 HB2 LEU 2 HB2 LEU 2 -6.349 -2.388 -4.284 19 HB3 LEU 2 HB3 LEU 2 -6.344 -0.706 -3.810 20 HG LEU 2 HG LEU 2 -7.203 -1.326 -1.539 21 HD11 LEU 2 HD11 LEU 2 -6.874 -3.747 -0.860 22 HD12 LEU 2 HD12 LEU 2 -8.317 -3.448 -1.828 23 HD13 LEU 2 HD13 LEU 2 -6.877 -4.172 -2.577 24 HD21 LEU 2 HD21 LEU 2 -4.807 -1.016 -2.056 25 HD22 LEU 2 HD22 LEU 2 -5.108 -2.196 -0.776 26 HD23 LEU 2 HD23 LEU 2 -4.679 -2.758 -2.403 27 HA PRO 3 HA PRO 3 -10.608 -4.531 -5.805 28 HB2 PRO 3 HB2 PRO 3 -9.571 -5.564 -8.120 29 HB3 PRO 3 HB3 PRO 3 -10.402 -3.983 -8.042 30 HG2 PRO 3 HG2 PRO 3 -7.451 -4.568 -8.026 31 HG3 PRO 3 HG3 PRO 3 -8.323 -3.340 -8.987 32 HD2 PRO 3 HD2 PRO 3 -7.024 -2.779 -6.607 33 HD3 PRO 3 HD3 PRO 3 -8.463 -1.880 -7.181 34 HA PRO 4 HA PRO 4 -9.153 -8.319 -4.111 35 HB2 PRO 4 HB2 PRO 4 -9.630 -9.654 -6.788 36 HB3 PRO 4 HB3 PRO 4 -10.015 -10.266 -5.146 37 HG2 PRO 4 HG2 PRO 4 -11.956 -9.103 -6.614 38 HG3 PRO 4 HG3 PRO 4 -11.777 -8.654 -4.885 39 HD2 PRO 4 HD2 PRO 4 -10.846 -7.159 -7.330 40 HD3 PRO 4 HD3 PRO 4 -11.609 -6.524 -5.841 41 H GLY 5 H GLY 5 -7.306 -9.358 -3.677 42 HA2 GLY 5 HA2 GLY 5 -5.325 -10.490 -4.036 43 HA3 GLY 5 HA3 GLY 5 -5.314 -9.982 -5.724 44 H TRP 6 H TRP 6 -5.683 -7.002 -4.489 45 HA TRP 6 HA TRP 6 -2.810 -6.453 -4.335 46 HB2 TRP 6 HB2 TRP 6 -5.292 -4.716 -4.193 47 HB3 TRP 6 HB3 TRP 6 -3.643 -4.122 -4.128 48 HD1 TRP 6 HD1 TRP 6 -6.053 -5.877 -6.541 49 HE1 TRP 6 HE1 TRP 6 -5.415 -5.283 -8.960 50 HE3 TRP 6 HE3 TRP 6 -1.701 -3.310 -5.648 51 HZ2 TRP 6 HZ2 TRP 6 -3.343 -3.857 -10.326 52 HZ3 TRP 6 HZ3 TRP 6 -0.439 -2.340 -7.550 53 HH2 TRP 6 HH2 TRP 6 -1.241 -2.586 -9.871 54 H GLU 7 H GLU 7 -1.861 -7.083 -2.410 55 HA GLU 7 HA GLU 7 -3.201 -6.204 0.104 56 HB2 GLU 7 HB2 GLU 7 -2.722 -8.382 1.085 57 HB3 GLU 7 HB3 GLU 7 -3.834 -8.420 -0.257 58 HG2 GLU 7 HG2 GLU 7 -2.551 -10.328 -0.552 59 HG3 GLU 7 HG3 GLU 7 -1.932 -9.213 -1.760 60 H LYS 8 H LYS 8 -2.027 -5.836 1.914 61 HA LYS 8 HA LYS 8 0.056 -4.188 1.591 62 HB2 LYS 8 HB2 LYS 8 0.095 -3.826 3.833 63 HB3 LYS 8 HB3 LYS 8 -1.547 -4.323 3.518 64 HG2 LYS 8 HG2 LYS 8 0.562 -6.186 4.713 65 HG3 LYS 8 HG3 LYS 8 -0.378 -5.071 5.649 66 HD2 LYS 8 HD2 LYS 8 -1.344 -7.212 5.905 67 HD3 LYS 8 HD3 LYS 8 -2.473 -6.160 5.072 68 HE2 LYS 8 HE2 LYS 8 -2.510 -8.483 4.230 69 HE3 LYS 8 HE3 LYS 8 -2.119 -7.317 2.979 70 HZ1 LYS 8 HZ1 LYS 8 -0.616 -9.081 2.710 71 HZ2 LYS 8 HZ2 LYS 8 0.250 -7.881 3.350 72 HZ3 LYS 8 HZ3 LYS 8 -0.221 -9.136 4.329 73 H ARG 9 H ARG 9 2.149 -4.099 1.372 74 HA ARG 9 HA ARG 9 3.971 -6.309 2.074 75 HB2 ARG 9 HB2 ARG 9 2.875 -6.373 -0.262 76 HB3 ARG 9 HB3 ARG 9 3.608 -4.820 -0.567 77 HG2 ARG 9 HG2 ARG 9 4.753 -6.514 -1.653 78 HG3 ARG 9 HG3 ARG 9 5.843 -5.816 -0.486 79 HD2 ARG 9 HD2 ARG 9 5.610 -8.492 -0.936 80 HD3 ARG 9 HD3 ARG 9 6.271 -7.761 0.521 81 HE ARG 9 HE ARG 9 4.431 -8.418 1.748 82 HH11 ARG 9 HH11 ARG 9 3.638 -9.323 -1.613 83 HH12 ARG 9 HH12 ARG 9 1.987 -9.714 -1.061 84 HH21 ARG 9 HH22 ARG 9 2.191 -8.516 1.964 85 HH22 ARG 9 HH21 ARG 9 1.329 -9.538 0.871 86 H MET 10 H MET 10 6.314 -5.527 1.519 87 HA MET 10 HA MET 10 6.780 -2.694 2.064 88 HB2 MET 10 HB2 MET 10 7.965 -3.131 4.128 89 HB3 MET 10 HB3 MET 10 6.294 -3.655 4.277 90 HG2 MET 10 HG2 MET 10 8.668 -5.497 3.793 91 HG3 MET 10 HG3 MET 10 7.931 -5.169 5.351 92 HE1 MET 10 HE1 MET 10 8.523 -8.065 4.099 93 HE2 MET 10 HE2 MET 10 7.883 -7.783 5.737 94 HE3 MET 10 HE3 MET 10 7.069 -8.930 4.648 95 H PHE 11 H PHE 11 8.724 -1.989 1.436 96 HA PHE 11 HA PHE 11 10.583 -3.760 -0.006 97 HB2 PHE 11 HB2 PHE 11 10.367 -0.788 0.441 98 HB3 PHE 11 HB3 PHE 11 11.743 -1.519 -0.363 99 HD1 PHE 11 HD1 PHE 11 11.209 -3.195 -2.324 100 HD2 PHE 11 HD2 PHE 11 8.504 -0.080 -0.980 101 HE1 PHE 11 HE1 PHE 11 10.103 -3.186 -4.539 102 HE2 PHE 11 HE2 PHE 11 7.451 -0.082 -3.226 103 HZ PHE 11 HZ PHE 11 8.245 -1.605 -4.991 104 H ALA 12 H ALA 12 12.880 -3.864 0.511 105 HA ALA 12 HA ALA 12 13.471 -4.333 3.213 106 HB1 ALA 12 HB1 ALA 12 15.761 -4.676 2.379 107 HB2 ALA 12 HB2 ALA 12 14.575 -5.415 1.290 108 HB3 ALA 12 HB3 ALA 12 15.346 -3.869 0.852 109 H ASN 13 H ASN 13 13.425 -1.258 1.669 110 HA ASN 13 HA ASN 13 15.218 0.027 3.635 111 HB2 ASN 13 HB2 ASN 13 14.740 2.069 2.333 112 HB3 ASN 13 HB3 ASN 13 15.338 0.765 1.308 113 HD21 ASN 13 HD21 ASN 13 14.362 2.120 -0.472 114 H GLY 14 H GLY 14 12.080 -1.153 3.811 115 HA2 GLY 14 HA2 GLY 14 10.670 -0.840 5.641 116 HA3 GLY 14 HA3 GLY 14 11.345 0.762 5.944 117 H THR 15 H THR 15 10.409 0.140 2.587 118 HA THR 15 HA THR 15 8.351 2.251 2.929 119 HB THR 15 HB THR 15 9.552 1.136 0.396 120 HG1 THR 15 HG1 THR 15 11.118 2.013 1.507 121 HG21 THR 15 HG21 THR 15 8.151 3.790 0.838 122 HG22 THR 15 HG22 THR 15 8.770 3.113 -0.691 123 HG23 THR 15 HG23 THR 15 7.367 2.374 0.105 124 H VAL 16 H VAL 16 6.254 1.711 3.125 125 HA VAL 16 HA VAL 16 5.440 -1.046 2.480 126 HB VAL 16 HB VAL 16 4.326 1.169 4.206 127 HG11 VAL 16 HG11 VAL 16 2.304 0.239 3.166 128 HG12 VAL 16 HG12 VAL 16 2.860 -1.417 3.511 129 HG13 VAL 16 HG13 VAL 16 2.438 -0.313 4.835 130 HG21 VAL 16 HG21 VAL 16 5.005 -1.757 4.733 131 HG22 VAL 16 HG22 VAL 16 6.100 -0.392 5.072 132 HG23 VAL 16 HG23 VAL 16 4.570 -0.540 5.951 133 H TYR 17 H TYR 17 3.825 -1.637 1.169 134 HA TYR 17 HA TYR 17 2.296 0.296 -0.421 135 HB2 TYR 17 HB2 TYR 17 3.203 -0.518 -2.554 136 HB3 TYR 17 HB3 TYR 17 4.477 0.176 -1.581 137 HD1 TYR 17 HD2 TYR 17 6.175 -1.179 -0.491 138 HD2 TYR 17 HD1 TYR 17 3.303 -2.935 -3.179 139 HE1 TYR 17 HE2 TYR 17 7.719 -3.050 -0.904 140 HE2 TYR 17 HE1 TYR 17 4.893 -4.797 -3.641 141 HH TYR 17 HH TYR 17 8.145 -4.893 -2.217 142 H TYR 18 H TYR 18 0.877 -1.051 -2.020 143 HA TYR 18 HA TYR 18 0.186 -3.730 -0.937 144 HB2 TYR 18 HB2 TYR 18 -1.416 -1.623 -2.415 145 HB3 TYR 18 HB3 TYR 18 -1.956 -3.297 -2.246 146 HD1 TYR 18 HD2 TYR 18 -0.564 -0.510 -0.110 147 HD2 TYR 18 HD1 TYR 18 -3.308 -3.827 -0.385 148 HE1 TYR 18 HE2 TYR 18 -0.999 -0.270 2.208 149 HE2 TYR 18 HE1 TYR 18 -4.021 -3.397 1.954 150 HH TYR 18 HH TYR 18 -2.307 -1.033 4.042 151 H PHE 19 H PHE 19 0.239 -5.496 -2.107 152 HA PHE 19 HA PHE 19 1.469 -5.370 -4.822 153 HB2 PHE 19 HB2 PHE 19 2.983 -5.970 -3.021 154 HB3 PHE 19 HB3 PHE 19 1.865 -7.174 -2.408 155 HD1 PHE 19 HD1 PHE 19 4.176 -6.338 -5.194 156 HD2 PHE 19 HD2 PHE 19 1.670 -9.379 -3.434 157 HE1 PHE 19 HE1 PHE 19 5.307 -8.029 -6.553 158 HE2 PHE 19 HE2 PHE 19 2.841 -11.107 -4.772 159 HZ PHE 19 HZ PHE 19 4.681 -10.454 -6.319 160 H ASN 20 H ASN 20 0.355 -6.370 -6.407 161 HA ASN 20 HA ASN 20 -2.061 -7.872 -5.788 162 HB2 ASN 20 HB2 ASN 20 -1.940 -6.298 -7.706 163 HB3 ASN 20 HB3 ASN 20 -0.749 -7.349 -8.456 164 HD21 ASN 20 HD22 ASN 20 -4.176 -7.120 -7.422 165 HD22 ASN 20 HD21 ASN 20 -4.678 -8.566 -8.269 166 H HIS 21 H HIS 21 -1.558 -9.832 -4.783 167 HA HIS 21 HA HIS 21 0.688 -11.419 -5.598 168 HB2 HIS 21 HB2 HIS 21 -0.002 -12.994 -4.021 169 HB3 HIS 21 HB3 HIS 21 -0.442 -11.438 -3.347 170 HD2 HIS 21 HD2 HIS 21 -2.025 -14.551 -5.052 171 HE1 HIS 21 HE1 HIS 21 -5.091 -12.667 -2.766 172 HE2 HIS 21 HE2 HIS 21 -4.511 -14.706 -4.195 173 H ILE 22 H ILE 22 -2.069 -10.951 -7.451 174 HA ILE 22 HA ILE 22 -2.164 -13.715 -8.513 175 HB ILE 22 HB ILE 22 -3.857 -11.282 -9.210 176 HG12 ILE 22 HG12 ILE 22 -4.524 -13.584 -7.317 177 HG13 ILE 22 HG13 ILE 22 -4.125 -11.946 -6.804 178 HG21 ILE 22 HG21 ILE 22 -3.861 -12.982 -10.994 179 HG22 ILE 22 HG22 ILE 22 -4.269 -14.242 -9.812 180 HG23 ILE 22 HG23 ILE 22 -5.415 -12.940 -10.200 181 HD11 ILE 22 HD11 ILE 22 -6.608 -12.769 -8.328 182 HD12 ILE 22 HD12 ILE 22 -6.476 -12.142 -6.682 183 HD13 ILE 22 HD13 ILE 22 -6.110 -11.079 -8.054 184 H THR 23 H THR 23 -0.727 -10.628 -9.166 185 HA THR 23 HA THR 23 0.165 -11.521 -11.900 186 HB THR 23 HB THR 23 -0.065 -9.178 -12.634 187 HG1 THR 23 HG1 THR 23 -1.457 -8.809 -10.195 188 HG21 THR 23 HG21 THR 23 -2.481 -9.035 -12.810 189 HG22 THR 23 HG22 THR 23 -1.971 -10.721 -13.030 190 HG23 THR 23 HG23 THR 23 -2.701 -10.208 -11.495 191 H ASN 24 H ASN 24 1.107 -9.978 -8.901 192 HA ASN 24 HA ASN 24 3.018 -9.345 -8.046 193 HB2 ASN 24 HB2 ASN 24 4.514 -9.630 -10.670 194 HB3 ASN 24 HB3 ASN 24 5.184 -9.456 -9.061 195 HD21 ASN 24 HD22 ASN 24 3.538 -11.655 -11.246 196 HD22 ASN 24 HD21 ASN 24 3.999 -13.122 -10.355 197 H ALA 25 H ALA 25 1.078 -7.639 -10.009 198 HA ALA 25 HA ALA 25 2.629 -5.246 -10.439 199 HB1 ALA 25 HB1 ALA 25 -0.368 -5.584 -9.979 200 HB2 ALA 25 HB2 ALA 25 0.447 -4.184 -10.710 201 HB3 ALA 25 HB3 ALA 25 0.456 -5.747 -11.545 202 H SER 26 H SER 26 2.342 -3.137 -9.131 203 HA SER 26 HA SER 26 1.673 -3.539 -6.309 204 HB2 SER 26 HB2 SER 26 3.885 -2.869 -5.494 205 HB3 SER 26 HB3 SER 26 3.950 -4.379 -6.390 206 HG SER 26 HG SER 26 4.764 -3.276 -8.159 207 H GLN 27 H GLN 27 1.393 -1.669 -5.111 208 HA GLN 27 HA GLN 27 1.476 0.978 -6.441 209 HB2 GLN 27 HB2 GLN 27 -0.626 0.058 -7.187 210 HB3 GLN 27 HB3 GLN 27 -1.000 -0.583 -5.586 211 HG2 GLN 27 HG2 GLN 27 -2.355 1.397 -6.184 212 HG3 GLN 27 HG3 GLN 27 -1.434 1.615 -4.704 213 HE21 GLN 27 HE22 GLN 27 -1.391 2.444 -8.266 214 HE22 GLN 27 HE21 GLN 27 -0.461 3.902 -7.961 215 H PHE 28 H PHE 28 1.962 2.558 -4.934 216 HA PHE 28 HA PHE 28 2.484 1.836 -2.183 217 HB2 PHE 28 HB2 PHE 28 2.458 4.497 -3.652 218 HB3 PHE 28 HB3 PHE 28 2.957 4.287 -1.975 219 HD1 PHE 28 HD2 PHE 28 4.800 2.543 -1.462 220 HD2 PHE 28 HD1 PHE 28 4.117 4.244 -5.367 221 HE1 PHE 28 HE2 PHE 28 7.094 1.911 -2.143 222 HE2 PHE 28 HE1 PHE 28 6.423 3.622 -6.038 223 HZ PHE 28 HZ PHE 28 7.917 2.457 -4.427 224 H GLU 29 H GLU 29 -0.280 3.466 -3.804 225 HA GLU 29 HA GLU 29 -1.389 4.436 -1.366 226 HB2 GLU 29 HB2 GLU 29 -2.172 4.400 -4.146 227 HB3 GLU 29 HB3 GLU 29 -3.544 3.859 -3.192 228 HG2 GLU 29 HG2 GLU 29 -1.970 6.417 -2.653 229 HG3 GLU 29 HG3 GLU 29 -3.456 6.328 -3.597 230 H ARG 30 H ARG 30 -3.207 3.830 -0.244 231 HA ARG 30 HA ARG 30 -3.583 0.906 0.097 232 HB2 ARG 30 HB2 ARG 30 -3.239 1.147 2.516 233 HB3 ARG 30 HB3 ARG 30 -1.851 1.531 1.508 234 HG2 ARG 30 HG2 ARG 30 -2.003 2.865 3.504 235 HG3 ARG 30 HG3 ARG 30 -1.854 3.762 2.016 236 HD2 ARG 30 HD2 ARG 30 -4.593 3.287 3.260 237 HD3 ARG 30 HD3 ARG 30 -3.511 4.490 3.970 238 HE ARG 30 HE ARG 30 -3.572 5.132 1.227 239 HH11 ARG 30 HH11 ARG 30 -6.245 4.772 3.384 240 HH12 ARG 30 HH12 ARG 30 -6.865 6.368 3.038 241 HH21 ARG 30 HH21 ARG 30 -4.675 6.673 0.381 242 HH22 ARG 30 HH22 ARG 30 -5.967 7.486 1.265 243 HA PRO 31 HA PRO 31 -7.863 1.140 0.526 244 HB2 PRO 31 HB2 PRO 31 -7.660 0.079 3.343 245 HB3 PRO 31 HB3 PRO 31 -8.772 -0.419 2.025 246 HG2 PRO 31 HG2 PRO 31 -6.575 -1.878 2.548 247 HG3 PRO 31 HG3 PRO 31 -6.996 -1.506 0.845 248 HD2 PRO 31 HD2 PRO 31 -4.969 -0.159 2.631 249 HD3 PRO 31 HD3 PRO 31 -4.801 -0.648 0.917 250 H SER 32 H SER 32 -9.669 1.955 1.497 251 HA SER 32 HA SER 32 -10.286 3.497 3.633 252 HB2 SER 32 HB2 SER 32 -10.164 5.834 2.925 253 HB3 SER 32 HB3 SER 32 -8.553 5.163 3.121 254 HG SER 32 HG SER 32 -10.023 5.345 0.725 255 H GLY 33 H GLY 33 -11.959 2.050 2.919 256 HA2 GLY 33 HA2 GLY 33 -14.108 1.748 2.045 257 HA3 GLY 33 HA3 GLY 33 -13.882 3.130 0.957 258 H1 NAG 101 H1 NAG 34 11.633 1.019 -0.872 259 H2 NAG 101 H2 NAG 34 12.818 3.338 -2.480 260 H3 NAG 101 H3 NAG 34 10.174 1.786 -2.480 261 H4 NAG 101 H4 NAG 34 12.397 2.149 -4.527 262 H5 NAG 101 H5 NAG 34 11.500 -0.310 -2.984 263 H61 NAG 101 H61 NAG 34 13.332 -1.516 -3.888 264 H62 NAG 101 H62 NAG 34 12.587 -0.726 -5.282 265 H81 NAG 101 H2M NAG 34 11.313 5.799 0.734 266 H82 NAG 101 H3M NAG 34 9.677 5.814 0.034 267 H83 NAG 101 H1M NAG 34 10.863 7.050 -0.444 268 HN2 NAG 101 H2N NAG 34 11.168 3.482 -0.088 269 HO3 NAG 101 H3O NAG 34 10.661 4.346 -3.320 270 HO4 NAG 101 H4O NAG 34 10.124 1.929 -5.116 271 HO6 NAG 101 H6O NAG 34 14.705 0.410 -3.743
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