USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot 180:sc= 0.315 USER MOD Set 1.2: A 135 GLN : amide:sc= -1.53 K(o=-1.2,f=-5.2!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0191! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 167:sc= -0.178 (180deg=-0.815) USER MOD Single : A 97 ASN : amide:sc= -5.51! C(o=-5.5!,f=-11!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.268 K(o=-0.27,f=-1.3) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 84:sc= 0.745 USER MOD Single : A 111 ASN : amide:sc= -0.0522 X(o=-0.052,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -176:sc= -0.999 USER MOD Single : A 124 MET CE :methyl -177:sc= 0 (180deg=-0.025) USER MOD Single : A 137 ASN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -2.23! C(o=-2.2!,f=-8.4!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 170:sc= 0 (180deg=-0.0828) USER MOD Single : A 146 THR OG1 : rot 6:sc= 0.564! USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 78 14.160 19.544 -1.092 1.00 0.00 N ATOM 2 CA ASP A 78 14.928 19.668 -2.364 1.00 0.00 C ATOM 3 C ASP A 78 14.076 19.177 -3.534 1.00 0.00 C ATOM 4 O ASP A 78 14.202 19.678 -4.651 1.00 0.00 O ATOM 5 CB ASP A 78 16.213 18.842 -2.260 1.00 0.00 C ATOM 6 CG ASP A 78 17.183 19.518 -1.299 1.00 0.00 C ATOM 7 OD1 ASP A 78 16.990 20.690 -1.017 1.00 0.00 O ATOM 8 OD2 ASP A 78 18.110 18.856 -0.859 1.00 0.00 O ATOM 0 HA ASP A 78 15.186 20.713 -2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 78 15.982 17.836 -1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.672 18.741 -3.243 1.00 0.00 H new ATOM 15 N THR A 79 13.205 18.197 -3.276 1.00 0.00 N ATOM 16 CA THR A 79 12.332 17.654 -4.321 1.00 0.00 C ATOM 17 C THR A 79 10.951 17.350 -3.749 1.00 0.00 C ATOM 18 O THR A 79 10.540 17.948 -2.753 1.00 0.00 O ATOM 19 CB THR A 79 12.938 16.377 -4.914 1.00 0.00 C ATOM 20 OG1 THR A 79 12.090 15.888 -5.944 1.00 0.00 O ATOM 21 CG2 THR A 79 13.082 15.315 -3.824 1.00 0.00 C ATOM 0 H THR A 79 13.086 17.766 -2.359 1.00 0.00 H new ATOM 0 HA THR A 79 12.236 18.399 -5.110 1.00 0.00 H new ATOM 0 HB THR A 79 13.922 16.603 -5.325 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.476 15.072 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.513 14.410 -4.252 1.00 0.00 H new ATOM 0 HG22 THR A 79 13.734 15.689 -3.035 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.101 15.087 -3.406 1.00 0.00 H new ATOM 29 N ASP A 80 10.229 16.426 -4.382 1.00 0.00 N ATOM 30 CA ASP A 80 8.888 16.061 -3.923 1.00 0.00 C ATOM 31 C ASP A 80 8.954 14.889 -2.944 1.00 0.00 C ATOM 32 O ASP A 80 8.339 14.941 -1.883 1.00 0.00 O ATOM 33 CB ASP A 80 8.000 15.700 -5.133 1.00 0.00 C ATOM 34 CG ASP A 80 8.852 15.136 -6.263 1.00 0.00 C ATOM 35 OD1 ASP A 80 9.883 14.555 -5.966 1.00 0.00 O ATOM 36 OD2 ASP A 80 8.460 15.294 -7.407 1.00 0.00 O ATOM 0 H ASP A 80 10.547 15.919 -5.208 1.00 0.00 H new ATOM 0 HA ASP A 80 8.452 16.914 -3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.248 14.969 -4.836 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.466 16.585 -5.478 1.00 0.00 H new ATOM 41 N SER A 81 9.707 13.846 -3.317 1.00 0.00 N ATOM 42 CA SER A 81 9.867 12.647 -2.476 1.00 0.00 C ATOM 43 C SER A 81 8.640 12.410 -1.594 1.00 0.00 C ATOM 44 O SER A 81 7.754 11.623 -1.935 1.00 0.00 O ATOM 45 CB SER A 81 11.105 12.798 -1.596 1.00 0.00 C ATOM 46 OG SER A 81 11.304 11.597 -0.860 1.00 0.00 O ATOM 0 H SER A 81 10.218 13.806 -4.199 1.00 0.00 H new ATOM 0 HA SER A 81 9.980 11.787 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 81 11.979 13.011 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.981 13.640 -0.915 1.00 0.00 H new ATOM 0 HG SER A 81 12.099 11.688 -0.294 1.00 0.00 H new ATOM 52 N GLU A 82 8.600 13.104 -0.461 1.00 0.00 N ATOM 53 CA GLU A 82 7.493 12.991 0.474 1.00 0.00 C ATOM 54 C GLU A 82 6.159 13.136 -0.260 1.00 0.00 C ATOM 55 O GLU A 82 5.226 12.365 -0.028 1.00 0.00 O ATOM 56 CB GLU A 82 7.624 14.093 1.526 1.00 0.00 C ATOM 57 CG GLU A 82 6.624 13.852 2.651 1.00 0.00 C ATOM 58 CD GLU A 82 6.812 14.900 3.744 1.00 0.00 C ATOM 59 OE1 GLU A 82 7.527 15.859 3.502 1.00 0.00 O ATOM 60 OE2 GLU A 82 6.241 14.729 4.810 1.00 0.00 O ATOM 0 H GLU A 82 9.329 13.755 -0.169 1.00 0.00 H new ATOM 0 HA GLU A 82 7.520 12.011 0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.638 14.109 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.445 15.067 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.607 13.898 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.762 12.853 3.065 1.00 0.00 H new ATOM 67 N GLU A 83 6.068 14.136 -1.134 1.00 0.00 N ATOM 68 CA GLU A 83 4.837 14.374 -1.882 1.00 0.00 C ATOM 69 C GLU A 83 4.550 13.237 -2.868 1.00 0.00 C ATOM 70 O GLU A 83 3.446 12.694 -2.881 1.00 0.00 O ATOM 71 CB GLU A 83 4.928 15.714 -2.615 1.00 0.00 C ATOM 72 CG GLU A 83 3.602 16.007 -3.316 1.00 0.00 C ATOM 73 CD GLU A 83 3.655 17.387 -3.964 1.00 0.00 C ATOM 74 OE1 GLU A 83 4.738 17.938 -4.052 1.00 0.00 O ATOM 75 OE2 GLU A 83 2.608 17.873 -4.361 1.00 0.00 O ATOM 0 H GLU A 83 6.824 14.789 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 83 4.008 14.408 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.161 16.511 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.738 15.687 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.404 15.247 -4.072 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.783 15.963 -2.598 1.00 0.00 H new ATOM 82 N GLU A 84 5.533 12.867 -3.689 1.00 0.00 N ATOM 83 CA GLU A 84 5.313 11.782 -4.650 1.00 0.00 C ATOM 84 C GLU A 84 4.725 10.580 -3.923 1.00 0.00 C ATOM 85 O GLU A 84 3.765 9.967 -4.390 1.00 0.00 O ATOM 86 CB GLU A 84 6.625 11.374 -5.326 1.00 0.00 C ATOM 87 CG GLU A 84 6.345 10.293 -6.380 1.00 0.00 C ATOM 88 CD GLU A 84 7.639 9.897 -7.083 1.00 0.00 C ATOM 89 OE1 GLU A 84 8.612 10.620 -6.944 1.00 0.00 O ATOM 90 OE2 GLU A 84 7.637 8.875 -7.750 1.00 0.00 O ATOM 0 H GLU A 84 6.463 13.286 -3.711 1.00 0.00 H new ATOM 0 HA GLU A 84 4.624 12.133 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.090 12.241 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.328 10.998 -4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.898 9.419 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.625 10.663 -7.109 1.00 0.00 H new ATOM 97 N ILE A 85 5.302 10.262 -2.768 1.00 0.00 N ATOM 98 CA ILE A 85 4.825 9.139 -1.971 1.00 0.00 C ATOM 99 C ILE A 85 3.346 9.337 -1.656 1.00 0.00 C ATOM 100 O ILE A 85 2.526 8.439 -1.857 1.00 0.00 O ATOM 101 CB ILE A 85 5.621 9.081 -0.657 1.00 0.00 C ATOM 102 CG1 ILE A 85 7.072 8.671 -0.930 1.00 0.00 C ATOM 103 CG2 ILE A 85 4.995 8.062 0.293 1.00 0.00 C ATOM 104 CD1 ILE A 85 7.930 8.936 0.318 1.00 0.00 C ATOM 0 H ILE A 85 6.095 10.763 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 85 4.959 8.210 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 85 5.600 10.072 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.117 7.615 -1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.465 9.231 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.567 8.030 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.967 8.351 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.004 7.077 -0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.961 8.643 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.895 9.997 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.543 8.356 1.156 1.00 0.00 H new ATOM 116 N ARG A 86 3.017 10.527 -1.170 1.00 0.00 N ATOM 117 CA ARG A 86 1.637 10.846 -0.831 1.00 0.00 C ATOM 118 C ARG A 86 0.729 10.641 -2.049 1.00 0.00 C ATOM 119 O ARG A 86 -0.409 10.187 -1.924 1.00 0.00 O ATOM 120 CB ARG A 86 1.551 12.297 -0.317 1.00 0.00 C ATOM 121 CG ARG A 86 2.060 12.364 1.135 1.00 0.00 C ATOM 122 CD ARG A 86 2.056 13.814 1.635 1.00 0.00 C ATOM 123 NE ARG A 86 3.148 14.562 1.026 1.00 0.00 N ATOM 124 CZ ARG A 86 3.212 15.889 1.108 1.00 0.00 C ATOM 125 NH1 ARG A 86 2.323 16.548 1.801 1.00 0.00 N ATOM 126 NH2 ARG A 86 4.177 16.532 0.509 1.00 0.00 N ATOM 0 H ARG A 86 3.682 11.282 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 86 1.296 10.176 -0.041 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.146 12.954 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.521 12.651 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.429 11.749 1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.069 11.955 1.193 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.104 14.286 1.394 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.155 13.832 2.720 1.00 0.00 H new ATOM 0 HE ARG A 86 3.880 14.057 0.526 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.576 16.046 2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.375 17.565 1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.881 16.018 -0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.228 17.549 0.571 1.00 0.00 H new ATOM 140 N GLU A 87 1.253 10.931 -3.232 1.00 0.00 N ATOM 141 CA GLU A 87 0.479 10.745 -4.458 1.00 0.00 C ATOM 142 C GLU A 87 0.363 9.263 -4.822 1.00 0.00 C ATOM 143 O GLU A 87 -0.727 8.690 -4.794 1.00 0.00 O ATOM 144 CB GLU A 87 1.145 11.509 -5.604 1.00 0.00 C ATOM 145 CG GLU A 87 1.039 13.016 -5.346 1.00 0.00 C ATOM 146 CD GLU A 87 -0.416 13.465 -5.436 1.00 0.00 C ATOM 147 OE1 GLU A 87 -1.194 12.763 -6.062 1.00 0.00 O ATOM 148 OE2 GLU A 87 -0.732 14.504 -4.881 1.00 0.00 O ATOM 0 H GLU A 87 2.197 11.291 -3.372 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.526 11.131 -4.290 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.192 11.217 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.665 11.257 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.440 13.253 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.641 13.560 -6.074 1.00 0.00 H new ATOM 155 N ALA A 88 1.495 8.661 -5.178 1.00 0.00 N ATOM 156 CA ALA A 88 1.534 7.252 -5.572 1.00 0.00 C ATOM 157 C ALA A 88 0.526 6.433 -4.771 1.00 0.00 C ATOM 158 O ALA A 88 -0.275 5.689 -5.339 1.00 0.00 O ATOM 159 CB ALA A 88 2.941 6.695 -5.364 1.00 0.00 C ATOM 0 H ALA A 88 2.402 9.128 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 88 1.269 7.182 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.964 5.646 -5.659 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.649 7.259 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.215 6.783 -4.313 1.00 0.00 H new ATOM 165 N PHE A 89 0.560 6.587 -3.452 1.00 0.00 N ATOM 166 CA PHE A 89 -0.369 5.869 -2.591 1.00 0.00 C ATOM 167 C PHE A 89 -1.813 6.334 -2.830 1.00 0.00 C ATOM 168 O PHE A 89 -2.732 5.520 -2.870 1.00 0.00 O ATOM 169 CB PHE A 89 0.025 6.055 -1.124 1.00 0.00 C ATOM 170 CG PHE A 89 1.119 5.066 -0.761 1.00 0.00 C ATOM 171 CD1 PHE A 89 0.845 3.691 -0.770 1.00 0.00 C ATOM 172 CD2 PHE A 89 2.400 5.519 -0.437 1.00 0.00 C ATOM 173 CE1 PHE A 89 1.853 2.775 -0.452 1.00 0.00 C ATOM 174 CE2 PHE A 89 3.408 4.599 -0.123 1.00 0.00 C ATOM 175 CZ PHE A 89 3.135 3.231 -0.132 1.00 0.00 C ATOM 0 H PHE A 89 1.214 7.196 -2.961 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.317 4.808 -2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.372 7.075 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.843 5.905 -0.482 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.144 3.339 -1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.613 6.578 -0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.641 1.716 -0.454 1.00 0.00 H new ATOM 0 HE2 PHE A 89 4.399 4.949 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.915 2.524 0.108 1.00 0.00 H new ATOM 185 N ARG A 90 -2.023 7.639 -2.994 1.00 0.00 N ATOM 186 CA ARG A 90 -3.383 8.124 -3.238 1.00 0.00 C ATOM 187 C ARG A 90 -3.959 7.447 -4.482 1.00 0.00 C ATOM 188 O ARG A 90 -5.101 6.987 -4.481 1.00 0.00 O ATOM 189 CB ARG A 90 -3.384 9.647 -3.406 1.00 0.00 C ATOM 190 CG ARG A 90 -3.475 10.313 -2.033 1.00 0.00 C ATOM 191 CD ARG A 90 -3.415 11.815 -2.218 1.00 0.00 C ATOM 192 NE ARG A 90 -3.483 12.491 -0.922 1.00 0.00 N ATOM 193 CZ ARG A 90 -3.796 13.784 -0.823 1.00 0.00 C ATOM 194 NH1 ARG A 90 -4.054 14.483 -1.895 1.00 0.00 N ATOM 195 NH2 ARG A 90 -3.847 14.354 0.354 1.00 0.00 N ATOM 0 H ARG A 90 -1.300 8.358 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.008 7.875 -2.380 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.476 9.967 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.225 9.954 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.403 10.030 -1.536 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.657 9.978 -1.395 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -2.492 12.088 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.240 12.143 -2.850 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.286 11.960 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.017 14.041 -2.813 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.293 15.471 -1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.648 13.810 1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.086 15.343 0.432 1.00 0.00 H new ATOM 209 N VAL A 91 -3.150 7.377 -5.534 1.00 0.00 N ATOM 210 CA VAL A 91 -3.567 6.743 -6.784 1.00 0.00 C ATOM 211 C VAL A 91 -3.832 5.254 -6.563 1.00 0.00 C ATOM 212 O VAL A 91 -4.795 4.697 -7.094 1.00 0.00 O ATOM 213 CB VAL A 91 -2.476 6.924 -7.844 1.00 0.00 C ATOM 214 CG1 VAL A 91 -2.847 6.149 -9.111 1.00 0.00 C ATOM 215 CG2 VAL A 91 -2.337 8.411 -8.183 1.00 0.00 C ATOM 0 H VAL A 91 -2.201 7.751 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.488 7.215 -7.127 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.531 6.545 -7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.067 6.282 -9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.945 5.090 -8.874 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.793 6.523 -9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.561 8.541 -8.937 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.285 8.786 -8.569 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.066 8.965 -7.284 1.00 0.00 H new ATOM 225 N PHE A 92 -2.962 4.617 -5.782 1.00 0.00 N ATOM 226 CA PHE A 92 -3.096 3.187 -5.503 1.00 0.00 C ATOM 227 C PHE A 92 -4.521 2.852 -5.063 1.00 0.00 C ATOM 228 O PHE A 92 -5.164 1.984 -5.653 1.00 0.00 O ATOM 229 CB PHE A 92 -2.100 2.770 -4.399 1.00 0.00 C ATOM 230 CG PHE A 92 -0.812 2.270 -5.014 1.00 0.00 C ATOM 231 CD1 PHE A 92 -0.290 2.891 -6.154 1.00 0.00 C ATOM 232 CD2 PHE A 92 -0.161 1.168 -4.453 1.00 0.00 C ATOM 233 CE1 PHE A 92 0.892 2.411 -6.729 1.00 0.00 C ATOM 234 CE2 PHE A 92 1.018 0.687 -5.029 1.00 0.00 C ATOM 235 CZ PHE A 92 1.544 1.307 -6.168 1.00 0.00 C ATOM 0 H PHE A 92 -2.162 5.063 -5.334 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.876 2.637 -6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.894 3.619 -3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.541 1.990 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.798 3.739 -6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -0.569 0.689 -3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.301 2.892 -7.605 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.523 -0.163 -4.595 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.454 0.933 -6.614 1.00 0.00 H new ATOM 245 N ASP A 93 -5.018 3.539 -4.039 1.00 0.00 N ATOM 246 CA ASP A 93 -6.375 3.277 -3.564 1.00 0.00 C ATOM 247 C ASP A 93 -7.319 3.175 -4.761 1.00 0.00 C ATOM 248 O ASP A 93 -7.759 4.185 -5.307 1.00 0.00 O ATOM 249 CB ASP A 93 -6.820 4.410 -2.640 1.00 0.00 C ATOM 250 CG ASP A 93 -8.063 4.001 -1.862 1.00 0.00 C ATOM 251 OD1 ASP A 93 -8.390 2.823 -1.874 1.00 0.00 O ATOM 252 OD2 ASP A 93 -8.665 4.873 -1.256 1.00 0.00 O ATOM 0 H ASP A 93 -4.515 4.266 -3.530 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.396 2.338 -3.010 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.016 4.661 -1.948 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.028 5.306 -3.226 1.00 0.00 H new ATOM 257 N LYS A 94 -7.582 1.944 -5.191 1.00 0.00 N ATOM 258 CA LYS A 94 -8.429 1.716 -6.358 1.00 0.00 C ATOM 259 C LYS A 94 -9.780 2.392 -6.165 1.00 0.00 C ATOM 260 O LYS A 94 -10.186 3.247 -6.955 1.00 0.00 O ATOM 261 CB LYS A 94 -8.623 0.193 -6.547 1.00 0.00 C ATOM 262 CG LYS A 94 -8.674 -0.167 -8.042 1.00 0.00 C ATOM 263 CD LYS A 94 -7.241 -0.306 -8.581 1.00 0.00 C ATOM 264 CE LYS A 94 -7.276 -0.806 -10.025 1.00 0.00 C ATOM 265 NZ LYS A 94 -8.457 -0.227 -10.720 1.00 0.00 N ATOM 0 H LYS A 94 -7.224 1.095 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.953 2.139 -7.243 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.806 -0.345 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.545 -0.125 -6.060 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.220 -1.099 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.210 0.604 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.730 0.655 -8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.675 -1.000 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.360 -0.521 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.327 -1.895 -10.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.367 -0.381 -11.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.323 -0.688 -10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.508 0.794 -10.527 1.00 0.00 H new ATOM 279 N ASP A 95 -10.466 2.002 -5.101 1.00 0.00 N ATOM 280 CA ASP A 95 -11.771 2.559 -4.789 1.00 0.00 C ATOM 281 C ASP A 95 -11.631 4.005 -4.322 1.00 0.00 C ATOM 282 O ASP A 95 -12.565 4.575 -3.757 1.00 0.00 O ATOM 283 CB ASP A 95 -12.425 1.719 -3.691 1.00 0.00 C ATOM 284 CG ASP A 95 -11.511 1.665 -2.472 1.00 0.00 C ATOM 285 OD1 ASP A 95 -10.688 2.555 -2.337 1.00 0.00 O ATOM 286 OD2 ASP A 95 -11.637 0.731 -1.700 1.00 0.00 O ATOM 0 H ASP A 95 -10.138 1.300 -4.438 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.393 2.542 -5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.388 2.149 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -12.618 0.711 -4.058 1.00 0.00 H new ATOM 291 N GLY A 96 -10.454 4.582 -4.575 1.00 0.00 N ATOM 292 CA GLY A 96 -10.161 5.967 -4.198 1.00 0.00 C ATOM 293 C GLY A 96 -10.925 6.393 -2.947 1.00 0.00 C ATOM 294 O GLY A 96 -11.562 7.446 -2.933 1.00 0.00 O ATOM 0 H GLY A 96 -9.682 4.107 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.091 6.077 -4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.419 6.630 -5.024 1.00 0.00 H new ATOM 298 N ASN A 97 -10.873 5.565 -1.898 1.00 0.00 N ATOM 299 CA ASN A 97 -11.582 5.872 -0.649 1.00 0.00 C ATOM 300 C ASN A 97 -10.637 6.443 0.405 1.00 0.00 C ATOM 301 O ASN A 97 -11.000 6.569 1.571 1.00 0.00 O ATOM 302 CB ASN A 97 -12.283 4.616 -0.113 1.00 0.00 C ATOM 303 CG ASN A 97 -11.273 3.520 0.223 1.00 0.00 C ATOM 304 OD1 ASN A 97 -10.071 3.773 0.277 1.00 0.00 O ATOM 305 ND2 ASN A 97 -11.699 2.309 0.457 1.00 0.00 N ATOM 0 H ASN A 97 -10.354 4.687 -1.887 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.332 6.632 -0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -12.858 4.869 0.778 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.991 4.247 -0.855 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -11.034 1.570 0.685 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -12.697 2.102 0.412 1.00 0.00 H new ATOM 312 N GLY A 98 -9.435 6.819 -0.021 1.00 0.00 N ATOM 313 CA GLY A 98 -8.460 7.408 0.898 1.00 0.00 C ATOM 314 C GLY A 98 -7.929 6.381 1.891 1.00 0.00 C ATOM 315 O GLY A 98 -7.687 6.695 3.055 1.00 0.00 O ATOM 0 H GLY A 98 -9.113 6.729 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.630 7.827 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.923 8.233 1.440 1.00 0.00 H new ATOM 319 N TYR A 99 -7.752 5.156 1.421 1.00 0.00 N ATOM 320 CA TYR A 99 -7.242 4.080 2.266 1.00 0.00 C ATOM 321 C TYR A 99 -6.626 2.989 1.395 1.00 0.00 C ATOM 322 O TYR A 99 -6.812 2.991 0.181 1.00 0.00 O ATOM 323 CB TYR A 99 -8.375 3.511 3.115 1.00 0.00 C ATOM 324 CG TYR A 99 -8.675 4.464 4.252 1.00 0.00 C ATOM 325 CD1 TYR A 99 -7.798 4.548 5.340 1.00 0.00 C ATOM 326 CD2 TYR A 99 -9.818 5.266 4.213 1.00 0.00 C ATOM 327 CE1 TYR A 99 -8.069 5.432 6.389 1.00 0.00 C ATOM 328 CE2 TYR A 99 -10.091 6.152 5.263 1.00 0.00 C ATOM 329 CZ TYR A 99 -9.215 6.234 6.353 1.00 0.00 C ATOM 330 OH TYR A 99 -9.481 7.108 7.388 1.00 0.00 O ATOM 0 H TYR A 99 -7.953 4.879 0.460 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.472 4.473 2.930 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -9.265 3.365 2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.095 2.534 3.508 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.913 3.930 5.369 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.492 5.203 3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.393 5.496 7.228 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.976 6.771 5.232 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.315 7.589 7.204 1.00 0.00 H new ATOM 340 N ILE A 100 -5.880 2.057 2.003 1.00 0.00 N ATOM 341 CA ILE A 100 -5.236 0.984 1.230 1.00 0.00 C ATOM 342 C ILE A 100 -5.688 -0.404 1.687 1.00 0.00 C ATOM 343 O ILE A 100 -5.453 -0.794 2.837 1.00 0.00 O ATOM 344 CB ILE A 100 -3.724 1.091 1.409 1.00 0.00 C ATOM 345 CG1 ILE A 100 -3.249 2.492 0.992 1.00 0.00 C ATOM 346 CG2 ILE A 100 -3.007 0.029 0.570 1.00 0.00 C ATOM 347 CD1 ILE A 100 -3.599 2.780 -0.475 1.00 0.00 C ATOM 0 H ILE A 100 -5.709 2.022 3.008 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.522 1.104 0.185 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.485 0.925 2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.711 3.242 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.171 2.571 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.930 0.121 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.331 -0.963 0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.249 0.173 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.251 3.778 -0.743 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.115 2.043 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.679 2.724 -0.609 1.00 0.00 H new ATOM 359 N SER A 101 -6.315 -1.152 0.760 1.00 0.00 N ATOM 360 CA SER A 101 -6.784 -2.519 1.031 1.00 0.00 C ATOM 361 C SER A 101 -5.831 -3.521 0.388 1.00 0.00 C ATOM 362 O SER A 101 -5.134 -3.200 -0.569 1.00 0.00 O ATOM 363 CB SER A 101 -8.193 -2.729 0.462 1.00 0.00 C ATOM 364 OG SER A 101 -9.148 -2.139 1.330 1.00 0.00 O ATOM 0 H SER A 101 -6.508 -0.828 -0.188 1.00 0.00 H new ATOM 0 HA SER A 101 -6.812 -2.669 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.265 -2.285 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.396 -3.794 0.351 1.00 0.00 H new ATOM 0 HG SER A 101 -10.048 -2.272 0.965 1.00 0.00 H new ATOM 370 N ALA A 102 -5.794 -4.728 0.942 1.00 0.00 N ATOM 371 CA ALA A 102 -4.900 -5.779 0.449 1.00 0.00 C ATOM 372 C ALA A 102 -5.246 -6.203 -0.975 1.00 0.00 C ATOM 373 O ALA A 102 -4.357 -6.499 -1.772 1.00 0.00 O ATOM 374 CB ALA A 102 -4.969 -6.997 1.391 1.00 0.00 C ATOM 0 H ALA A 102 -6.373 -5.007 1.734 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.887 -5.376 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.304 -7.779 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.661 -6.700 2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.991 -7.375 1.422 1.00 0.00 H new ATOM 380 N ALA A 103 -6.526 -6.257 -1.287 1.00 0.00 N ATOM 381 CA ALA A 103 -6.952 -6.676 -2.616 1.00 0.00 C ATOM 382 C ALA A 103 -6.444 -5.724 -3.696 1.00 0.00 C ATOM 383 O ALA A 103 -6.123 -6.140 -4.814 1.00 0.00 O ATOM 384 CB ALA A 103 -8.475 -6.742 -2.652 1.00 0.00 C ATOM 0 H ALA A 103 -7.285 -6.020 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 103 -6.529 -7.659 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.802 -7.055 -3.643 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.826 -7.460 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.887 -5.758 -2.428 1.00 0.00 H new ATOM 390 N GLU A 104 -6.391 -4.443 -3.361 1.00 0.00 N ATOM 391 CA GLU A 104 -5.945 -3.434 -4.311 1.00 0.00 C ATOM 392 C GLU A 104 -4.460 -3.582 -4.628 1.00 0.00 C ATOM 393 O GLU A 104 -4.046 -3.355 -5.759 1.00 0.00 O ATOM 394 CB GLU A 104 -6.189 -2.040 -3.735 1.00 0.00 C ATOM 395 CG GLU A 104 -7.664 -1.899 -3.373 1.00 0.00 C ATOM 396 CD GLU A 104 -7.891 -0.596 -2.615 1.00 0.00 C ATOM 397 OE1 GLU A 104 -6.931 0.137 -2.437 1.00 0.00 O ATOM 398 OE2 GLU A 104 -9.020 -0.354 -2.217 1.00 0.00 O ATOM 0 H GLU A 104 -6.650 -4.079 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.513 -3.571 -5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.569 -1.884 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.906 -1.278 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.272 -1.914 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.980 -2.745 -2.762 1.00 0.00 H new ATOM 405 N LEU A 105 -3.660 -3.955 -3.628 1.00 0.00 N ATOM 406 CA LEU A 105 -2.219 -4.105 -3.835 1.00 0.00 C ATOM 407 C LEU A 105 -1.904 -5.213 -4.831 1.00 0.00 C ATOM 408 O LEU A 105 -1.089 -5.023 -5.727 1.00 0.00 O ATOM 409 CB LEU A 105 -1.535 -4.435 -2.513 1.00 0.00 C ATOM 410 CG LEU A 105 -1.922 -3.396 -1.462 1.00 0.00 C ATOM 411 CD1 LEU A 105 -1.280 -3.765 -0.123 1.00 0.00 C ATOM 412 CD2 LEU A 105 -1.448 -2.003 -1.894 1.00 0.00 C ATOM 0 H LEU A 105 -3.979 -4.156 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.849 -3.160 -4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.827 -5.431 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.453 -4.448 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.007 -3.382 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.555 -3.025 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.631 -4.748 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.196 -3.785 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.730 -1.272 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.364 -2.007 -2.009 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.913 -1.739 -2.844 1.00 0.00 H new ATOM 424 N ARG A 106 -2.529 -6.372 -4.664 1.00 0.00 N ATOM 425 CA ARG A 106 -2.265 -7.482 -5.567 1.00 0.00 C ATOM 426 C ARG A 106 -2.746 -7.172 -6.979 1.00 0.00 C ATOM 427 O ARG A 106 -2.040 -7.440 -7.950 1.00 0.00 O ATOM 428 CB ARG A 106 -2.929 -8.765 -5.056 1.00 0.00 C ATOM 429 CG ARG A 106 -4.418 -8.536 -4.816 1.00 0.00 C ATOM 430 CD ARG A 106 -5.020 -9.811 -4.238 1.00 0.00 C ATOM 431 NE ARG A 106 -5.054 -10.850 -5.261 1.00 0.00 N ATOM 432 CZ ARG A 106 -5.273 -12.124 -4.944 1.00 0.00 C ATOM 433 NH1 ARG A 106 -5.510 -12.465 -3.706 1.00 0.00 N ATOM 434 NH2 ARG A 106 -5.258 -13.034 -5.880 1.00 0.00 N ATOM 0 H ARG A 106 -3.208 -6.565 -3.928 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.186 -7.632 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -2.790 -9.567 -5.781 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.450 -9.086 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.567 -7.703 -4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.915 -8.272 -5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.431 -10.147 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -6.028 -9.615 -3.872 1.00 0.00 H new ATOM 0 HE ARG A 106 -4.907 -10.596 -6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.528 -11.753 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -5.677 -13.443 -3.469 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.079 -12.767 -6.848 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.425 -14.012 -5.643 1.00 0.00 H new ATOM 448 N HIS A 107 -3.956 -6.630 -7.104 1.00 0.00 N ATOM 449 CA HIS A 107 -4.517 -6.324 -8.422 1.00 0.00 C ATOM 450 C HIS A 107 -3.679 -5.295 -9.172 1.00 0.00 C ATOM 451 O HIS A 107 -3.280 -5.519 -10.315 1.00 0.00 O ATOM 452 CB HIS A 107 -5.922 -5.769 -8.226 1.00 0.00 C ATOM 453 CG HIS A 107 -6.572 -5.520 -9.558 1.00 0.00 C ATOM 454 ND1 HIS A 107 -6.445 -4.316 -10.233 1.00 0.00 N ATOM 455 CD2 HIS A 107 -7.381 -6.304 -10.341 1.00 0.00 C ATOM 456 CE1 HIS A 107 -7.164 -4.408 -11.366 1.00 0.00 C ATOM 457 NE2 HIS A 107 -7.757 -5.600 -11.481 1.00 0.00 N ATOM 0 H HIS A 107 -4.563 -6.395 -6.319 1.00 0.00 H new ATOM 0 HA HIS A 107 -4.528 -7.240 -9.013 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.521 -6.472 -7.647 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.878 -4.841 -7.655 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -7.681 -7.315 -10.108 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.251 -3.615 -12.094 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -8.356 -5.924 -12.240 1.00 0.00 H new ATOM 466 N VAL A 108 -3.419 -4.166 -8.526 1.00 0.00 N ATOM 467 CA VAL A 108 -2.636 -3.116 -9.158 1.00 0.00 C ATOM 468 C VAL A 108 -1.218 -3.609 -9.416 1.00 0.00 C ATOM 469 O VAL A 108 -0.658 -3.347 -10.465 1.00 0.00 O ATOM 470 CB VAL A 108 -2.618 -1.849 -8.296 1.00 0.00 C ATOM 471 CG1 VAL A 108 -4.057 -1.435 -7.940 1.00 0.00 C ATOM 472 CG2 VAL A 108 -1.790 -2.098 -7.023 1.00 0.00 C ATOM 0 H VAL A 108 -3.734 -3.956 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.101 -2.864 -10.111 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.156 -1.036 -8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.035 -0.534 -7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.616 -1.238 -8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.540 -2.239 -7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.780 -1.195 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.234 -2.915 -6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.769 -2.361 -7.299 1.00 0.00 H new ATOM 482 N MET A 109 -0.635 -4.311 -8.452 1.00 0.00 N ATOM 483 CA MET A 109 0.728 -4.804 -8.628 1.00 0.00 C ATOM 484 C MET A 109 0.797 -5.717 -9.849 1.00 0.00 C ATOM 485 O MET A 109 1.669 -5.565 -10.703 1.00 0.00 O ATOM 486 CB MET A 109 1.159 -5.586 -7.385 1.00 0.00 C ATOM 487 CG MET A 109 1.532 -4.615 -6.257 1.00 0.00 C ATOM 488 SD MET A 109 3.209 -3.994 -6.523 1.00 0.00 S ATOM 489 CE MET A 109 3.315 -2.971 -5.035 1.00 0.00 C ATOM 0 H MET A 109 -1.070 -4.548 -7.561 1.00 0.00 H new ATOM 0 HA MET A 109 1.396 -3.955 -8.774 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.351 -6.241 -7.059 1.00 0.00 H new ATOM 0 HB3 MET A 109 2.010 -6.224 -7.623 1.00 0.00 H new ATOM 0 HG2 MET A 109 0.826 -3.785 -6.229 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.469 -5.120 -5.293 1.00 0.00 H new ATOM 0 HE1 MET A 109 4.289 -2.484 -4.997 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.532 -2.214 -5.058 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.188 -3.598 -4.153 1.00 0.00 H new ATOM 499 N THR A 110 -0.139 -6.658 -9.935 1.00 0.00 N ATOM 500 CA THR A 110 -0.183 -7.577 -11.066 1.00 0.00 C ATOM 501 C THR A 110 -0.491 -6.813 -12.350 1.00 0.00 C ATOM 502 O THR A 110 0.168 -7.003 -13.374 1.00 0.00 O ATOM 503 CB THR A 110 -1.254 -8.642 -10.832 1.00 0.00 C ATOM 504 OG1 THR A 110 -0.924 -9.397 -9.672 1.00 0.00 O ATOM 505 CG2 THR A 110 -1.330 -9.570 -12.047 1.00 0.00 C ATOM 0 H THR A 110 -0.872 -6.803 -9.240 1.00 0.00 H new ATOM 0 HA THR A 110 0.789 -8.061 -11.163 1.00 0.00 H new ATOM 0 HB THR A 110 -2.221 -8.160 -10.688 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.247 -8.929 -8.874 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.094 -10.329 -11.878 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.585 -8.989 -12.933 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.365 -10.054 -12.196 1.00 0.00 H new ATOM 513 N ASN A 111 -1.494 -5.944 -12.282 1.00 0.00 N ATOM 514 CA ASN A 111 -1.890 -5.145 -13.439 1.00 0.00 C ATOM 515 C ASN A 111 -0.734 -4.252 -13.871 1.00 0.00 C ATOM 516 O ASN A 111 -0.482 -4.066 -15.061 1.00 0.00 O ATOM 517 CB ASN A 111 -3.102 -4.284 -13.076 1.00 0.00 C ATOM 518 CG ASN A 111 -3.665 -3.614 -14.324 1.00 0.00 C ATOM 519 OD1 ASN A 111 -3.767 -2.388 -14.379 1.00 0.00 O ATOM 520 ND2 ASN A 111 -4.040 -4.349 -15.334 1.00 0.00 N ATOM 0 H ASN A 111 -2.047 -5.774 -11.442 1.00 0.00 H new ATOM 0 HA ASN A 111 -2.153 -5.809 -14.262 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.869 -4.902 -12.609 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.814 -3.527 -12.347 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.419 -3.909 -16.172 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.954 -5.364 -15.286 1.00 0.00 H new ATOM 527 N LEU A 112 -0.033 -3.718 -12.882 1.00 0.00 N ATOM 528 CA LEU A 112 1.110 -2.851 -13.121 1.00 0.00 C ATOM 529 C LEU A 112 2.225 -3.638 -13.801 1.00 0.00 C ATOM 530 O LEU A 112 2.962 -3.102 -14.629 1.00 0.00 O ATOM 531 CB LEU A 112 1.613 -2.275 -11.787 1.00 0.00 C ATOM 532 CG LEU A 112 0.720 -1.093 -11.348 1.00 0.00 C ATOM 533 CD1 LEU A 112 0.896 -0.850 -9.845 1.00 0.00 C ATOM 534 CD2 LEU A 112 1.102 0.188 -12.113 1.00 0.00 C ATOM 0 H LEU A 112 -0.240 -3.873 -11.895 1.00 0.00 H new ATOM 0 HA LEU A 112 0.807 -2.031 -13.772 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.605 -3.051 -11.021 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.645 -1.941 -11.892 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.318 -1.342 -11.568 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.266 -0.016 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.608 -1.746 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.939 -0.615 -9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.462 1.009 -11.790 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.143 0.437 -11.908 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.971 0.025 -13.183 1.00 0.00 H new ATOM 546 N GLY A 113 2.347 -4.914 -13.437 1.00 0.00 N ATOM 547 CA GLY A 113 3.381 -5.781 -14.004 1.00 0.00 C ATOM 548 C GLY A 113 4.352 -6.248 -12.924 1.00 0.00 C ATOM 549 O GLY A 113 5.095 -7.209 -13.120 1.00 0.00 O ATOM 0 H GLY A 113 1.744 -5.371 -12.753 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.916 -6.645 -14.479 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.926 -5.244 -14.781 1.00 0.00 H new ATOM 553 N GLU A 114 4.341 -5.562 -11.783 1.00 0.00 N ATOM 554 CA GLU A 114 5.228 -5.914 -10.676 1.00 0.00 C ATOM 555 C GLU A 114 4.802 -7.240 -10.041 1.00 0.00 C ATOM 556 O GLU A 114 3.655 -7.402 -9.627 1.00 0.00 O ATOM 557 CB GLU A 114 5.200 -4.803 -9.625 1.00 0.00 C ATOM 558 CG GLU A 114 5.842 -3.541 -10.206 1.00 0.00 C ATOM 559 CD GLU A 114 5.726 -2.388 -9.215 1.00 0.00 C ATOM 560 OE1 GLU A 114 4.675 -2.261 -8.606 1.00 0.00 O ATOM 561 OE2 GLU A 114 6.687 -1.650 -9.077 1.00 0.00 O ATOM 0 H GLU A 114 3.732 -4.764 -11.601 1.00 0.00 H new ATOM 0 HA GLU A 114 6.241 -6.027 -11.062 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.173 -4.597 -9.324 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.737 -5.119 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.891 -3.730 -10.434 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.354 -3.275 -11.144 1.00 0.00 H new ATOM 568 N LYS A 115 5.739 -8.185 -9.978 1.00 0.00 N ATOM 569 CA LYS A 115 5.458 -9.501 -9.405 1.00 0.00 C ATOM 570 C LYS A 115 5.384 -9.429 -7.881 1.00 0.00 C ATOM 571 O LYS A 115 6.230 -8.813 -7.232 1.00 0.00 O ATOM 572 CB LYS A 115 6.549 -10.499 -9.827 1.00 0.00 C ATOM 573 CG LYS A 115 6.456 -10.795 -11.342 1.00 0.00 C ATOM 574 CD LYS A 115 7.293 -9.785 -12.135 1.00 0.00 C ATOM 575 CE LYS A 115 7.204 -10.104 -13.629 1.00 0.00 C ATOM 576 NZ LYS A 115 7.996 -9.102 -14.391 1.00 0.00 N ATOM 0 H LYS A 115 6.694 -8.065 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 115 4.492 -9.838 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.533 -10.094 -9.589 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.441 -11.425 -9.262 1.00 0.00 H new ATOM 0 HG2 LYS A 115 6.808 -11.807 -11.544 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.416 -10.749 -11.665 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.934 -8.773 -11.947 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.332 -9.821 -11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.583 -11.108 -13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.164 -10.088 -13.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.939 -9.314 -15.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.615 -8.151 -14.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 8.989 -9.139 -14.085 1.00 0.00 H new ATOM 590 N LEU A 116 4.359 -10.070 -7.313 1.00 0.00 N ATOM 591 CA LEU A 116 4.174 -10.083 -5.862 1.00 0.00 C ATOM 592 C LEU A 116 3.459 -11.367 -5.425 1.00 0.00 C ATOM 593 O LEU A 116 2.726 -11.974 -6.204 1.00 0.00 O ATOM 594 CB LEU A 116 3.339 -8.851 -5.448 1.00 0.00 C ATOM 595 CG LEU A 116 3.825 -8.290 -4.094 1.00 0.00 C ATOM 596 CD1 LEU A 116 5.244 -7.686 -4.235 1.00 0.00 C ATOM 597 CD2 LEU A 116 2.844 -7.207 -3.610 1.00 0.00 C ATOM 0 H LEU A 116 3.648 -10.584 -7.834 1.00 0.00 H new ATOM 0 HA LEU A 116 5.149 -10.049 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.415 -8.080 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.287 -9.126 -5.376 1.00 0.00 H new ATOM 0 HG LEU A 116 3.865 -9.102 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.571 -7.295 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.937 -8.459 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.224 -6.878 -4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.184 -6.809 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.800 -6.402 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.852 -7.642 -3.489 1.00 0.00 H new ATOM 609 N THR A 117 3.654 -11.762 -4.166 1.00 0.00 N ATOM 610 CA THR A 117 2.996 -12.959 -3.636 1.00 0.00 C ATOM 611 C THR A 117 1.729 -12.559 -2.878 1.00 0.00 C ATOM 612 O THR A 117 1.780 -11.771 -1.934 1.00 0.00 O ATOM 613 CB THR A 117 3.951 -13.708 -2.691 1.00 0.00 C ATOM 614 OG1 THR A 117 4.669 -12.768 -1.906 1.00 0.00 O ATOM 615 CG2 THR A 117 4.942 -14.545 -3.505 1.00 0.00 C ATOM 0 H THR A 117 4.255 -11.277 -3.500 1.00 0.00 H new ATOM 0 HA THR A 117 2.728 -13.614 -4.465 1.00 0.00 H new ATOM 0 HB THR A 117 3.370 -14.366 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.322 -13.239 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.615 -15.072 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.396 -15.268 -4.110 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.522 -13.891 -4.156 1.00 0.00 H new ATOM 623 N ASP A 118 0.594 -13.100 -3.307 1.00 0.00 N ATOM 624 CA ASP A 118 -0.684 -12.786 -2.671 1.00 0.00 C ATOM 625 C ASP A 118 -0.604 -13.014 -1.165 1.00 0.00 C ATOM 626 O ASP A 118 -1.093 -12.203 -0.378 1.00 0.00 O ATOM 627 CB ASP A 118 -1.789 -13.665 -3.261 1.00 0.00 C ATOM 628 CG ASP A 118 -2.100 -13.231 -4.689 1.00 0.00 C ATOM 629 OD1 ASP A 118 -1.715 -12.130 -5.049 1.00 0.00 O ATOM 630 OD2 ASP A 118 -2.717 -14.009 -5.402 1.00 0.00 O ATOM 0 H ASP A 118 0.531 -13.754 -4.087 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.913 -11.737 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.478 -14.710 -3.250 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -2.687 -13.594 -2.648 1.00 0.00 H new ATOM 635 N GLU A 119 0.007 -14.124 -0.771 1.00 0.00 N ATOM 636 CA GLU A 119 0.140 -14.454 0.644 1.00 0.00 C ATOM 637 C GLU A 119 0.907 -13.355 1.376 1.00 0.00 C ATOM 638 O GLU A 119 0.658 -13.084 2.555 1.00 0.00 O ATOM 639 CB GLU A 119 0.883 -15.785 0.791 1.00 0.00 C ATOM 640 CG GLU A 119 0.049 -16.896 0.148 1.00 0.00 C ATOM 641 CD GLU A 119 0.795 -18.227 0.200 1.00 0.00 C ATOM 642 OE1 GLU A 119 1.878 -18.257 0.758 1.00 0.00 O ATOM 643 OE2 GLU A 119 0.270 -19.197 -0.325 1.00 0.00 O ATOM 0 H GLU A 119 0.417 -14.808 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.855 -14.539 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.861 -15.725 0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 119 1.055 -16.005 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.906 -16.988 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.174 -16.638 -0.887 1.00 0.00 H new ATOM 650 N GLU A 120 1.801 -12.685 0.655 1.00 0.00 N ATOM 651 CA GLU A 120 2.563 -11.583 1.238 1.00 0.00 C ATOM 652 C GLU A 120 1.678 -10.348 1.344 1.00 0.00 C ATOM 653 O GLU A 120 1.648 -9.692 2.379 1.00 0.00 O ATOM 654 CB GLU A 120 3.802 -11.264 0.395 1.00 0.00 C ATOM 655 CG GLU A 120 4.617 -10.154 1.068 1.00 0.00 C ATOM 656 CD GLU A 120 5.876 -9.875 0.257 1.00 0.00 C ATOM 657 OE1 GLU A 120 5.957 -10.364 -0.858 1.00 0.00 O ATOM 658 OE2 GLU A 120 6.741 -9.174 0.759 1.00 0.00 O ATOM 0 H GLU A 120 2.015 -12.882 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 120 2.895 -11.882 2.232 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.414 -12.158 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.502 -10.952 -0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 120 4.017 -9.248 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 120 4.885 -10.451 2.082 1.00 0.00 H new ATOM 665 N VAL A 121 0.945 -10.055 0.273 1.00 0.00 N ATOM 666 CA VAL A 121 0.039 -8.908 0.265 1.00 0.00 C ATOM 667 C VAL A 121 -0.864 -8.963 1.494 1.00 0.00 C ATOM 668 O VAL A 121 -0.750 -8.147 2.408 1.00 0.00 O ATOM 669 CB VAL A 121 -0.813 -8.935 -1.011 1.00 0.00 C ATOM 670 CG1 VAL A 121 -1.982 -7.953 -0.892 1.00 0.00 C ATOM 671 CG2 VAL A 121 0.051 -8.539 -2.207 1.00 0.00 C ATOM 0 H VAL A 121 0.959 -10.591 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 121 0.619 -7.985 0.288 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.205 -9.942 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.577 -7.983 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -2.606 -8.231 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -1.596 -6.944 -0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.553 -8.558 -3.114 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.445 -7.534 -2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.878 -9.242 -2.307 1.00 0.00 H new ATOM 681 N ASP A 122 -1.763 -9.940 1.503 1.00 0.00 N ATOM 682 CA ASP A 122 -2.690 -10.111 2.614 1.00 0.00 C ATOM 683 C ASP A 122 -1.943 -9.999 3.939 1.00 0.00 C ATOM 684 O ASP A 122 -2.390 -9.306 4.853 1.00 0.00 O ATOM 685 CB ASP A 122 -3.354 -11.485 2.498 1.00 0.00 C ATOM 686 CG ASP A 122 -4.532 -11.597 3.458 1.00 0.00 C ATOM 687 OD1 ASP A 122 -4.701 -10.703 4.269 1.00 0.00 O ATOM 688 OD2 ASP A 122 -5.249 -12.581 3.366 1.00 0.00 O ATOM 0 H ASP A 122 -1.869 -10.625 0.754 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.452 -9.332 2.580 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -3.696 -11.644 1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.625 -12.266 2.716 1.00 0.00 H new ATOM 693 N GLU A 123 -0.795 -10.666 4.038 1.00 0.00 N ATOM 694 CA GLU A 123 -0.002 -10.599 5.262 1.00 0.00 C ATOM 695 C GLU A 123 0.592 -9.197 5.461 1.00 0.00 C ATOM 696 O GLU A 123 0.776 -8.745 6.592 1.00 0.00 O ATOM 697 CB GLU A 123 1.123 -11.638 5.218 1.00 0.00 C ATOM 698 CG GLU A 123 0.539 -13.036 5.432 1.00 0.00 C ATOM 699 CD GLU A 123 1.630 -14.088 5.269 1.00 0.00 C ATOM 700 OE1 GLU A 123 2.770 -13.704 5.067 1.00 0.00 O ATOM 701 OE2 GLU A 123 1.309 -15.262 5.347 1.00 0.00 O ATOM 0 H GLU A 123 -0.399 -11.249 3.300 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.661 -10.814 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.638 -11.591 4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.863 -11.420 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.100 -13.107 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.263 -13.218 4.716 1.00 0.00 H new ATOM 708 N MET A 124 0.914 -8.530 4.352 1.00 0.00 N ATOM 709 CA MET A 124 1.517 -7.190 4.397 1.00 0.00 C ATOM 710 C MET A 124 0.693 -6.239 5.258 1.00 0.00 C ATOM 711 O MET A 124 1.138 -5.807 6.324 1.00 0.00 O ATOM 712 CB MET A 124 1.601 -6.623 2.976 1.00 0.00 C ATOM 713 CG MET A 124 2.584 -5.452 2.930 1.00 0.00 C ATOM 714 SD MET A 124 4.278 -6.087 2.953 1.00 0.00 S ATOM 715 CE MET A 124 4.464 -6.308 1.165 1.00 0.00 C ATOM 0 H MET A 124 0.769 -8.893 3.410 1.00 0.00 H new ATOM 0 HA MET A 124 2.512 -7.281 4.834 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.920 -7.402 2.284 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.615 -6.292 2.650 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.418 -4.859 2.030 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.420 -4.792 3.782 1.00 0.00 H new ATOM 0 HE1 MET A 124 5.438 -6.750 0.952 1.00 0.00 H new ATOM 0 HE2 MET A 124 3.678 -6.967 0.796 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.389 -5.340 0.669 1.00 0.00 H new ATOM 725 N ILE A 125 -0.500 -5.899 4.784 1.00 0.00 N ATOM 726 CA ILE A 125 -1.366 -4.979 5.512 1.00 0.00 C ATOM 727 C ILE A 125 -1.601 -5.496 6.925 1.00 0.00 C ATOM 728 O ILE A 125 -1.605 -4.730 7.887 1.00 0.00 O ATOM 729 CB ILE A 125 -2.723 -4.838 4.781 1.00 0.00 C ATOM 730 CG1 ILE A 125 -2.557 -3.906 3.565 1.00 0.00 C ATOM 731 CG2 ILE A 125 -3.787 -4.273 5.747 1.00 0.00 C ATOM 732 CD1 ILE A 125 -3.882 -3.783 2.803 1.00 0.00 C ATOM 0 H ILE A 125 -0.888 -6.243 3.906 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.881 -4.004 5.560 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.052 -5.818 4.437 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -2.227 -2.921 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -1.784 -4.295 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -4.739 -4.177 5.224 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.905 -4.949 6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.470 -3.294 6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.749 -3.122 1.947 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.195 -4.768 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.645 -3.372 3.464 1.00 0.00 H new ATOM 744 N ARG A 126 -1.821 -6.793 7.038 1.00 0.00 N ATOM 745 CA ARG A 126 -2.086 -7.396 8.332 1.00 0.00 C ATOM 746 C ARG A 126 -0.989 -7.065 9.339 1.00 0.00 C ATOM 747 O ARG A 126 -1.275 -6.776 10.502 1.00 0.00 O ATOM 748 CB ARG A 126 -2.201 -8.911 8.171 1.00 0.00 C ATOM 749 CG ARG A 126 -3.515 -9.275 7.440 1.00 0.00 C ATOM 750 CD ARG A 126 -4.631 -9.546 8.456 1.00 0.00 C ATOM 751 NE ARG A 126 -4.968 -8.325 9.179 1.00 0.00 N ATOM 752 CZ ARG A 126 -5.558 -8.373 10.367 1.00 0.00 C ATOM 753 NH1 ARG A 126 -5.837 -9.528 10.904 1.00 0.00 N ATOM 754 NH2 ARG A 126 -5.854 -7.269 10.998 1.00 0.00 N ATOM 0 H ARG A 126 -1.822 -7.446 6.255 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.022 -6.989 8.713 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.347 -9.290 7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.176 -9.390 9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.808 -8.461 6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.360 -10.155 6.816 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -5.514 -9.928 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.313 -10.316 9.159 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.747 -7.419 8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -5.602 -10.390 10.411 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -6.290 -9.570 11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.632 -6.366 10.578 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -6.307 -7.309 11.911 1.00 0.00 H new ATOM 768 N GLU A 127 0.265 -7.108 8.905 1.00 0.00 N ATOM 769 CA GLU A 127 1.372 -6.803 9.808 1.00 0.00 C ATOM 770 C GLU A 127 1.638 -5.299 9.844 1.00 0.00 C ATOM 771 O GLU A 127 2.020 -4.752 10.879 1.00 0.00 O ATOM 772 CB GLU A 127 2.634 -7.557 9.376 1.00 0.00 C ATOM 773 CG GLU A 127 2.404 -9.065 9.536 1.00 0.00 C ATOM 774 CD GLU A 127 3.634 -9.839 9.071 1.00 0.00 C ATOM 775 OE1 GLU A 127 4.619 -9.202 8.732 1.00 0.00 O ATOM 776 OE2 GLU A 127 3.575 -11.058 9.061 1.00 0.00 O ATOM 0 H GLU A 127 0.540 -7.346 7.952 1.00 0.00 H new ATOM 0 HA GLU A 127 1.097 -7.128 10.812 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.875 -7.322 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.485 -7.241 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.191 -9.299 10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.533 -9.371 8.957 1.00 0.00 H new ATOM 783 N ALA A 128 1.427 -4.636 8.710 1.00 0.00 N ATOM 784 CA ALA A 128 1.644 -3.195 8.631 1.00 0.00 C ATOM 785 C ALA A 128 0.600 -2.448 9.461 1.00 0.00 C ATOM 786 O ALA A 128 0.940 -1.663 10.349 1.00 0.00 O ATOM 787 CB ALA A 128 1.572 -2.734 7.166 1.00 0.00 C ATOM 0 H ALA A 128 1.110 -5.068 7.842 1.00 0.00 H new ATOM 0 HA ALA A 128 2.633 -2.971 9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 128 1.735 -1.657 7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.340 -3.245 6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 128 0.590 -2.972 6.757 1.00 0.00 H new ATOM 793 N ASP A 129 -0.670 -2.686 9.149 1.00 0.00 N ATOM 794 CA ASP A 129 -1.763 -2.020 9.851 1.00 0.00 C ATOM 795 C ASP A 129 -1.503 -1.987 11.348 1.00 0.00 C ATOM 796 O ASP A 129 -1.177 -3.006 11.954 1.00 0.00 O ATOM 797 CB ASP A 129 -3.076 -2.754 9.576 1.00 0.00 C ATOM 798 CG ASP A 129 -4.246 -2.003 10.201 1.00 0.00 C ATOM 799 OD1 ASP A 129 -4.055 -1.413 11.251 1.00 0.00 O ATOM 800 OD2 ASP A 129 -5.320 -2.037 9.622 1.00 0.00 O ATOM 0 H ASP A 129 -0.968 -3.332 8.418 1.00 0.00 H new ATOM 0 HA ASP A 129 -1.832 -0.995 9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -3.229 -2.848 8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -3.027 -3.765 9.981 1.00 0.00 H new ATOM 805 N ILE A 130 -1.645 -0.803 11.935 1.00 0.00 N ATOM 806 CA ILE A 130 -1.422 -0.635 13.374 1.00 0.00 C ATOM 807 C ILE A 130 -2.696 -0.917 14.157 1.00 0.00 C ATOM 808 O ILE A 130 -2.652 -1.426 15.277 1.00 0.00 O ATOM 809 CB ILE A 130 -0.923 0.783 13.689 1.00 0.00 C ATOM 810 CG1 ILE A 130 0.393 1.019 12.943 1.00 0.00 C ATOM 811 CG2 ILE A 130 -0.687 0.920 15.204 1.00 0.00 C ATOM 812 CD1 ILE A 130 0.910 2.434 13.225 1.00 0.00 C ATOM 0 H ILE A 130 -1.911 0.051 11.444 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.658 -1.352 13.675 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.665 1.517 13.374 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.134 0.283 13.255 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.242 0.885 11.872 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.333 1.926 15.428 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.621 0.738 15.736 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.060 0.193 15.523 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.846 2.593 12.690 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.173 3.164 12.891 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.079 2.553 14.295 1.00 0.00 H new ATOM 824 N ASP A 131 -3.829 -0.572 13.563 1.00 0.00 N ATOM 825 CA ASP A 131 -5.130 -0.781 14.204 1.00 0.00 C ATOM 826 C ASP A 131 -5.723 -2.134 13.813 1.00 0.00 C ATOM 827 O ASP A 131 -6.782 -2.521 14.306 1.00 0.00 O ATOM 828 CB ASP A 131 -6.092 0.339 13.795 1.00 0.00 C ATOM 829 CG ASP A 131 -5.596 1.675 14.339 1.00 0.00 C ATOM 830 OD1 ASP A 131 -4.862 1.660 15.315 1.00 0.00 O ATOM 831 OD2 ASP A 131 -5.958 2.696 13.775 1.00 0.00 O ATOM 0 H ASP A 131 -3.879 -0.146 12.638 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.986 -0.768 15.284 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.169 0.385 12.709 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -7.091 0.129 14.177 1.00 0.00 H new ATOM 836 N GLY A 132 -5.032 -2.846 12.925 1.00 0.00 N ATOM 837 CA GLY A 132 -5.500 -4.155 12.474 1.00 0.00 C ATOM 838 C GLY A 132 -6.983 -4.118 12.127 1.00 0.00 C ATOM 839 O GLY A 132 -7.797 -4.784 12.765 1.00 0.00 O ATOM 0 H GLY A 132 -4.153 -2.542 12.506 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.927 -4.469 11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.324 -4.896 13.254 1.00 0.00 H new ATOM 843 N ASP A 133 -7.328 -3.324 11.114 1.00 0.00 N ATOM 844 CA ASP A 133 -8.719 -3.185 10.679 1.00 0.00 C ATOM 845 C ASP A 133 -8.872 -3.552 9.204 1.00 0.00 C ATOM 846 O ASP A 133 -9.928 -4.021 8.781 1.00 0.00 O ATOM 847 CB ASP A 133 -9.174 -1.743 10.894 1.00 0.00 C ATOM 848 CG ASP A 133 -8.381 -0.816 9.983 1.00 0.00 C ATOM 849 OD1 ASP A 133 -7.266 -0.473 10.345 1.00 0.00 O ATOM 850 OD2 ASP A 133 -8.896 -0.466 8.933 1.00 0.00 O ATOM 0 H ASP A 133 -6.663 -2.766 10.578 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.335 -3.865 11.268 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.240 -1.652 10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -9.029 -1.457 11.936 1.00 0.00 H new ATOM 855 N GLY A 134 -7.808 -3.341 8.424 1.00 0.00 N ATOM 856 CA GLY A 134 -7.829 -3.657 6.991 1.00 0.00 C ATOM 857 C GLY A 134 -7.558 -2.423 6.135 1.00 0.00 C ATOM 858 O GLY A 134 -7.475 -2.514 4.910 1.00 0.00 O ATOM 0 H GLY A 134 -6.925 -2.955 8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -7.081 -4.420 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -8.799 -4.078 6.726 1.00 0.00 H new ATOM 862 N GLN A 135 -7.406 -1.273 6.786 1.00 0.00 N ATOM 863 CA GLN A 135 -7.127 -0.024 6.073 1.00 0.00 C ATOM 864 C GLN A 135 -5.810 0.557 6.565 1.00 0.00 C ATOM 865 O GLN A 135 -5.664 0.873 7.748 1.00 0.00 O ATOM 866 CB GLN A 135 -8.266 0.979 6.302 1.00 0.00 C ATOM 867 CG GLN A 135 -9.602 0.334 5.916 1.00 0.00 C ATOM 868 CD GLN A 135 -9.563 -0.177 4.475 1.00 0.00 C ATOM 869 OE1 GLN A 135 -9.294 0.584 3.544 1.00 0.00 O ATOM 870 NE2 GLN A 135 -9.813 -1.434 4.236 1.00 0.00 N ATOM 0 H GLN A 135 -7.470 -1.177 7.799 1.00 0.00 H new ATOM 0 HA GLN A 135 -7.053 -0.228 5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -8.288 1.288 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -8.099 1.877 5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -9.821 -0.491 6.593 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -10.407 1.060 6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -10.036 -2.065 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -9.786 -1.786 3.279 1.00 0.00 H new ATOM 879 N VAL A 136 -4.854 0.713 5.645 1.00 0.00 N ATOM 880 CA VAL A 136 -3.543 1.273 6.001 1.00 0.00 C ATOM 881 C VAL A 136 -3.398 2.681 5.444 1.00 0.00 C ATOM 882 O VAL A 136 -3.593 2.912 4.246 1.00 0.00 O ATOM 883 CB VAL A 136 -2.412 0.399 5.451 1.00 0.00 C ATOM 884 CG1 VAL A 136 -1.071 0.909 5.973 1.00 0.00 C ATOM 885 CG2 VAL A 136 -2.616 -1.044 5.896 1.00 0.00 C ATOM 0 H VAL A 136 -4.958 0.464 4.661 1.00 0.00 H new ATOM 0 HA VAL A 136 -3.477 1.302 7.089 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.419 0.445 4.362 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.267 0.286 5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -0.923 1.939 5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -1.065 0.866 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -1.810 -1.663 5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -2.613 -1.093 6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.571 -1.410 5.519 1.00 0.00 H new ATOM 895 N ASN A 137 -3.040 3.609 6.329 1.00 0.00 N ATOM 896 CA ASN A 137 -2.853 4.997 5.939 1.00 0.00 C ATOM 897 C ASN A 137 -1.673 5.108 4.983 1.00 0.00 C ATOM 898 O ASN A 137 -1.349 4.158 4.272 1.00 0.00 O ATOM 899 CB ASN A 137 -2.612 5.870 7.173 1.00 0.00 C ATOM 900 CG ASN A 137 -3.813 5.797 8.107 1.00 0.00 C ATOM 901 OD1 ASN A 137 -3.689 5.215 9.265 1.00 0.00 O flip ATOM 902 ND2 ASN A 137 -4.893 6.282 7.768 1.00 0.00 N flip ATOM 0 H ASN A 137 -2.875 3.422 7.318 1.00 0.00 H new ATOM 0 HA ASN A 137 -3.755 5.347 5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -1.715 5.537 7.695 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.439 6.903 6.870 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -4.985 6.737 6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -5.695 6.229 8.395 1.00 0.00 H new ATOM 909 N TYR A 138 -1.041 6.276 4.956 1.00 0.00 N ATOM 910 CA TYR A 138 0.095 6.496 4.070 1.00 0.00 C ATOM 911 C TYR A 138 1.407 6.030 4.704 1.00 0.00 C ATOM 912 O TYR A 138 2.100 5.191 4.138 1.00 0.00 O ATOM 913 CB TYR A 138 0.186 7.987 3.717 1.00 0.00 C ATOM 914 CG TYR A 138 -1.096 8.428 3.040 1.00 0.00 C ATOM 915 CD1 TYR A 138 -1.340 8.060 1.714 1.00 0.00 C ATOM 916 CD2 TYR A 138 -2.037 9.197 3.739 1.00 0.00 C ATOM 917 CE1 TYR A 138 -2.524 8.462 1.081 1.00 0.00 C ATOM 918 CE2 TYR A 138 -3.221 9.602 3.106 1.00 0.00 C ATOM 919 CZ TYR A 138 -3.465 9.231 1.777 1.00 0.00 C ATOM 920 OH TYR A 138 -4.633 9.626 1.153 1.00 0.00 O ATOM 0 H TYR A 138 -1.293 7.079 5.532 1.00 0.00 H new ATOM 0 HA TYR A 138 -0.062 5.908 3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 138 0.354 8.575 4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 138 1.036 8.164 3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -0.616 7.466 1.177 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -1.850 9.478 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -2.711 8.179 0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -3.944 10.199 3.642 1.00 0.00 H new ATOM 0 HH TYR A 138 -5.176 10.152 1.777 1.00 0.00 H new ATOM 930 N GLU A 139 1.727 6.568 5.879 1.00 0.00 N ATOM 931 CA GLU A 139 2.965 6.197 6.574 1.00 0.00 C ATOM 932 C GLU A 139 2.988 4.703 6.905 1.00 0.00 C ATOM 933 O GLU A 139 3.843 3.958 6.401 1.00 0.00 O ATOM 934 CB GLU A 139 3.122 7.036 7.847 1.00 0.00 C ATOM 935 CG GLU A 139 1.882 6.885 8.750 1.00 0.00 C ATOM 936 CD GLU A 139 1.661 8.158 9.568 1.00 0.00 C ATOM 937 OE1 GLU A 139 2.588 8.571 10.249 1.00 0.00 O ATOM 938 OE2 GLU A 139 0.575 8.706 9.492 1.00 0.00 O ATOM 0 H GLU A 139 1.155 7.256 6.369 1.00 0.00 H new ATOM 0 HA GLU A 139 3.805 6.401 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 139 4.014 6.722 8.389 1.00 0.00 H new ATOM 0 HB3 GLU A 139 3.262 8.084 7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 139 1.002 6.680 8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.012 6.034 9.418 1.00 0.00 H new ATOM 945 N GLU A 140 2.046 4.289 7.768 1.00 0.00 N ATOM 946 CA GLU A 140 1.927 2.886 8.195 1.00 0.00 C ATOM 947 C GLU A 140 2.343 1.964 7.056 1.00 0.00 C ATOM 948 O GLU A 140 2.868 0.869 7.270 1.00 0.00 O ATOM 949 CB GLU A 140 0.471 2.568 8.569 1.00 0.00 C ATOM 950 CG GLU A 140 0.063 3.316 9.841 1.00 0.00 C ATOM 951 CD GLU A 140 -1.430 3.135 10.095 1.00 0.00 C ATOM 952 OE1 GLU A 140 -2.047 2.370 9.372 1.00 0.00 O ATOM 953 OE2 GLU A 140 -1.935 3.772 11.009 1.00 0.00 O ATOM 0 H GLU A 140 1.353 4.910 8.185 1.00 0.00 H new ATOM 0 HA GLU A 140 2.573 2.732 9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -0.190 2.848 7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.355 1.495 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.633 2.942 10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.298 4.376 9.741 1.00 0.00 H new ATOM 960 N PHE A 141 2.123 2.452 5.835 1.00 0.00 N ATOM 961 CA PHE A 141 2.488 1.720 4.635 1.00 0.00 C ATOM 962 C PHE A 141 3.929 2.038 4.222 1.00 0.00 C ATOM 963 O PHE A 141 4.736 1.127 4.031 1.00 0.00 O ATOM 964 CB PHE A 141 1.538 2.099 3.490 1.00 0.00 C ATOM 965 CG PHE A 141 1.507 0.983 2.464 1.00 0.00 C ATOM 966 CD1 PHE A 141 2.659 0.663 1.732 1.00 0.00 C ATOM 967 CD2 PHE A 141 0.326 0.266 2.252 1.00 0.00 C ATOM 968 CE1 PHE A 141 2.627 -0.371 0.793 1.00 0.00 C ATOM 969 CE2 PHE A 141 0.296 -0.765 1.313 1.00 0.00 C ATOM 970 CZ PHE A 141 1.446 -1.084 0.582 1.00 0.00 C ATOM 0 H PHE A 141 1.690 3.358 5.657 1.00 0.00 H new ATOM 0 HA PHE A 141 2.410 0.653 4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.536 2.276 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.867 3.027 3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.572 1.216 1.894 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.563 0.510 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.515 -0.618 0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.617 -1.318 1.150 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.420 -1.882 -0.145 1.00 0.00 H new ATOM 980 N VAL A 142 4.231 3.333 4.048 1.00 0.00 N ATOM 981 CA VAL A 142 5.576 3.764 3.616 1.00 0.00 C ATOM 982 C VAL A 142 6.649 2.846 4.191 1.00 0.00 C ATOM 983 O VAL A 142 7.426 2.248 3.447 1.00 0.00 O ATOM 984 CB VAL A 142 5.851 5.207 4.081 1.00 0.00 C ATOM 985 CG1 VAL A 142 7.342 5.553 3.928 1.00 0.00 C ATOM 986 CG2 VAL A 142 5.024 6.199 3.251 1.00 0.00 C ATOM 0 H VAL A 142 3.571 4.097 4.197 1.00 0.00 H new ATOM 0 HA VAL A 142 5.608 3.716 2.528 1.00 0.00 H new ATOM 0 HB VAL A 142 5.570 5.280 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 142 7.514 6.576 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.938 4.869 4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.632 5.459 2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 142 5.227 7.215 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.293 6.106 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.963 5.981 3.374 1.00 0.00 H new ATOM 996 N GLN A 143 6.710 2.769 5.517 1.00 0.00 N ATOM 997 CA GLN A 143 7.728 1.942 6.167 1.00 0.00 C ATOM 998 C GLN A 143 7.894 0.614 5.425 1.00 0.00 C ATOM 999 O GLN A 143 8.925 0.369 4.799 1.00 0.00 O ATOM 1000 CB GLN A 143 7.306 1.680 7.619 1.00 0.00 C ATOM 1001 CG GLN A 143 7.688 2.873 8.504 1.00 0.00 C ATOM 1002 CD GLN A 143 6.962 4.128 8.033 1.00 0.00 C ATOM 1003 OE1 GLN A 143 5.785 4.073 7.689 1.00 0.00 O ATOM 1004 NE2 GLN A 143 7.600 5.265 8.004 1.00 0.00 N ATOM 0 H GLN A 143 6.081 3.258 6.154 1.00 0.00 H new ATOM 0 HA GLN A 143 8.683 2.467 6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 143 6.230 1.511 7.668 1.00 0.00 H new ATOM 0 HB3 GLN A 143 7.788 0.775 7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 143 7.431 2.663 9.542 1.00 0.00 H new ATOM 0 HG3 GLN A 143 8.766 3.032 8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 143 8.578 5.308 8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 143 7.121 6.111 7.695 1.00 0.00 H new ATOM 1013 N MET A 144 6.881 -0.239 5.512 1.00 0.00 N ATOM 1014 CA MET A 144 6.945 -1.545 4.856 1.00 0.00 C ATOM 1015 C MET A 144 7.519 -1.396 3.448 1.00 0.00 C ATOM 1016 O MET A 144 8.397 -2.159 3.043 1.00 0.00 O ATOM 1017 CB MET A 144 5.543 -2.158 4.787 1.00 0.00 C ATOM 1018 CG MET A 144 5.134 -2.671 6.174 1.00 0.00 C ATOM 1019 SD MET A 144 6.159 -4.094 6.643 1.00 0.00 S ATOM 1020 CE MET A 144 4.858 -5.105 7.395 1.00 0.00 C ATOM 0 H MET A 144 6.016 -0.057 6.022 1.00 0.00 H new ATOM 0 HA MET A 144 7.595 -2.202 5.433 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.827 -1.414 4.438 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.528 -2.976 4.067 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.244 -1.876 6.911 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.082 -2.957 6.168 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.286 -6.041 7.754 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.415 -4.564 8.231 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.089 -5.319 6.653 1.00 0.00 H new ATOM 1030 N MET A 145 7.024 -0.411 2.709 1.00 0.00 N ATOM 1031 CA MET A 145 7.504 -0.174 1.354 1.00 0.00 C ATOM 1032 C MET A 145 8.943 0.344 1.384 1.00 0.00 C ATOM 1033 O MET A 145 9.348 1.020 2.328 1.00 0.00 O ATOM 1034 CB MET A 145 6.603 0.852 0.669 1.00 0.00 C ATOM 1035 CG MET A 145 7.066 1.060 -0.776 1.00 0.00 C ATOM 1036 SD MET A 145 5.943 2.208 -1.613 1.00 0.00 S ATOM 1037 CE MET A 145 6.658 3.746 -0.977 1.00 0.00 C ATOM 0 H MET A 145 6.296 0.232 3.022 1.00 0.00 H new ATOM 0 HA MET A 145 7.480 -1.112 0.799 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.568 0.510 0.684 1.00 0.00 H new ATOM 0 HB3 MET A 145 6.634 1.797 1.211 1.00 0.00 H new ATOM 0 HG2 MET A 145 8.082 1.454 -0.790 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.087 0.106 -1.303 1.00 0.00 H new ATOM 0 HE1 MET A 145 6.227 4.595 -1.508 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.441 3.835 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 145 7.738 3.735 -1.127 1.00 0.00 H new ATOM 1047 N THR A 146 9.710 0.022 0.339 1.00 0.00 N ATOM 1048 CA THR A 146 11.107 0.460 0.245 1.00 0.00 C ATOM 1049 C THR A 146 11.394 1.034 -1.140 1.00 0.00 C ATOM 1050 O THR A 146 12.507 1.479 -1.422 1.00 0.00 O ATOM 1051 CB THR A 146 12.047 -0.717 0.519 1.00 0.00 C ATOM 1052 OG1 THR A 146 13.348 -0.404 0.043 1.00 0.00 O ATOM 1053 CG2 THR A 146 11.530 -1.969 -0.196 1.00 0.00 C ATOM 0 H THR A 146 9.390 -0.538 -0.451 1.00 0.00 H new ATOM 0 HA THR A 146 11.276 1.236 0.991 1.00 0.00 H new ATOM 0 HB THR A 146 12.086 -0.905 1.592 1.00 0.00 H new ATOM 0 HG1 THR A 146 13.371 0.528 -0.258 1.00 0.00 H new ATOM 0 HG21 THR A 146 12.202 -2.804 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 146 10.532 -2.211 0.170 1.00 0.00 H new ATOM 0 HG23 THR A 146 11.487 -1.784 -1.269 1.00 0.00 H new ATOM 1061 N ALA A 147 10.381 1.025 -1.999 1.00 0.00 N ATOM 1062 CA ALA A 147 10.537 1.557 -3.347 1.00 0.00 C ATOM 1063 C ALA A 147 10.733 3.069 -3.296 1.00 0.00 C ATOM 1064 O ALA A 147 10.037 3.766 -2.558 1.00 0.00 O ATOM 1065 CB ALA A 147 9.295 1.229 -4.176 1.00 0.00 C ATOM 0 H ALA A 147 9.452 0.659 -1.789 1.00 0.00 H new ATOM 0 HA ALA A 147 11.413 1.101 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 147 9.414 1.628 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 147 9.166 0.148 -4.227 1.00 0.00 H new ATOM 0 HB3 ALA A 147 8.418 1.677 -3.710 1.00 0.00 H new ATOM 1071 N LYS A 148 11.683 3.571 -4.085 1.00 0.00 N ATOM 1072 CA LYS A 148 11.967 5.006 -4.126 1.00 0.00 C ATOM 1073 C LYS A 148 12.317 5.435 -5.549 1.00 0.00 C ATOM 1074 O LYS A 148 13.319 6.115 -5.713 1.00 0.00 O ATOM 1075 CB LYS A 148 13.129 5.343 -3.178 1.00 0.00 C ATOM 1076 CG LYS A 148 12.680 5.175 -1.722 1.00 0.00 C ATOM 1077 CD LYS A 148 13.845 5.500 -0.775 1.00 0.00 C ATOM 1078 CE LYS A 148 13.385 5.365 0.684 1.00 0.00 C ATOM 1079 NZ LYS A 148 14.523 5.672 1.601 1.00 0.00 N ATOM 1080 OXT LYS A 148 11.583 5.073 -6.454 1.00 0.00 O ATOM 0 H LYS A 148 12.267 3.008 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 148 11.077 5.546 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 148 13.978 4.691 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 148 13.464 6.366 -3.349 1.00 0.00 H new ATOM 0 HG2 LYS A 148 11.836 5.833 -1.514 1.00 0.00 H new ATOM 0 HG3 LYS A 148 12.337 4.154 -1.554 1.00 0.00 H new ATOM 0 HD2 LYS A 148 14.680 4.826 -0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 148 14.204 6.512 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 148 12.555 6.045 0.878 1.00 0.00 H new ATOM 0 HE3 LYS A 148 13.019 4.355 0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 14.208 5.580 2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 15.302 5.007 1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 14.852 6.644 1.432 1.00 0.00 H new TER 1094 LYS A 148 HETATM 1095 CA CA A 201 -8.929 1.004 0.513 1.00 0.00 CA HETATM 1096 CA CA A 202 -4.592 0.883 10.133 1.00 0.00 CA