USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 849 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 31 GLN : amide:sc= -0.677 K(o=-0.68,f=-1.9) USER MOD Set 1.2: A 79 GLN : amide:sc= -0.0048 X(o=-0.68,f=-0.81) USER MOD Single : A 4 THR OG1 : rot -15:sc= 0.517 USER MOD Single : A 6 LYS NZ :NH3+ -152:sc= 0.899 (180deg=0.404) USER MOD Single : A 8 THR OG1 : rot 36:sc= 0.633 USER MOD Single : A 12 LYS NZ :NH3+ -120:sc= 1.15 (180deg=-0.29) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00296 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -1.59 F(o=-2.4!,f=-1.6) USER MOD Single : A 16 HIS : no HE2:sc= -0.729 K(o=-0.73,f=-2.3) USER MOD Single : A 33 SER OG : rot 180:sc= -0.893 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 172:sc= -2.9! USER MOD Single : A 53 LYS NZ :NH3+ -104:sc= 1.17 (180deg=-1.09) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.766 X(o=-0.77,f=-0.9) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 68 THR OG1 : rot -90:sc= -3.91! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 160:sc= -0.396 USER MOD Single : A 95 LYS NZ :NH3+ -151:sc= -1.77 (180deg=-3.07!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HE2:sc= -1.18 K(o=-1.2,f=-2.5) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.0282 F(o=-0.75,f=-0.028) USER MOD Single : A 109 GLN : amide:sc=-4.81e-05 X(o=-4.8e-05,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 119 GLN :FLIP amide:sc= -1.27 F(o=-2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 8.976 21.446 3.803 1.00 0.00 N ATOM 47 CA THR A 4 8.925 20.255 4.651 1.00 0.00 C ATOM 48 C THR A 4 8.437 19.042 3.862 1.00 0.00 C ATOM 49 O THR A 4 7.615 19.170 2.953 1.00 0.00 O ATOM 50 CB THR A 4 8.013 20.490 5.862 1.00 0.00 C ATOM 51 OG1 THR A 4 6.977 21.407 5.551 1.00 0.00 O ATOM 52 CG2 THR A 4 8.749 21.023 7.074 1.00 0.00 C ATOM 0 HA THR A 4 9.937 20.056 5.004 1.00 0.00 H new ATOM 0 HB THR A 4 7.607 19.508 6.104 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.197 21.880 4.722 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.045 21.166 7.893 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.517 20.311 7.376 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.216 21.976 6.826 1.00 0.00 H new ATOM 60 N VAL A 5 8.948 17.866 4.222 1.00 0.00 N ATOM 61 CA VAL A 5 8.567 16.625 3.558 1.00 0.00 C ATOM 62 C VAL A 5 8.050 15.607 4.571 1.00 0.00 C ATOM 63 O VAL A 5 8.777 15.197 5.481 1.00 0.00 O ATOM 64 CB VAL A 5 9.755 16.011 2.782 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.300 14.825 1.943 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.431 17.062 1.909 1.00 0.00 C ATOM 0 H VAL A 5 9.629 17.749 4.972 1.00 0.00 H new ATOM 0 HA VAL A 5 7.775 16.869 2.850 1.00 0.00 H new ATOM 0 HB VAL A 5 10.484 15.652 3.509 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.153 14.410 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 5 8.874 14.061 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.546 15.153 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.264 16.608 1.372 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.711 17.458 1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.802 17.872 2.537 1.00 0.00 H new ATOM 76 N LYS A 6 6.793 15.203 4.402 1.00 0.00 N ATOM 77 CA LYS A 6 6.168 14.231 5.292 1.00 0.00 C ATOM 78 C LYS A 6 5.388 13.190 4.492 1.00 0.00 C ATOM 79 O LYS A 6 4.311 13.476 3.964 1.00 0.00 O ATOM 80 CB LYS A 6 5.240 14.935 6.289 1.00 0.00 C ATOM 81 CG LYS A 6 5.960 15.490 7.507 1.00 0.00 C ATOM 82 CD LYS A 6 5.076 16.447 8.293 1.00 0.00 C ATOM 83 CE LYS A 6 5.397 17.899 7.970 1.00 0.00 C ATOM 84 NZ LYS A 6 4.190 18.656 7.527 1.00 0.00 N ATOM 0 H LYS A 6 6.186 15.536 3.653 1.00 0.00 H new ATOM 0 HA LYS A 6 6.956 13.722 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.725 15.750 5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.475 14.232 6.619 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.271 14.668 8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.866 16.007 7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.029 16.246 8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.210 16.273 9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.823 18.380 8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.155 17.937 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.478 19.429 6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.545 18.016 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.704 19.052 8.357 1.00 0.00 H new ATOM 98 N ARG A 7 5.945 11.983 4.404 1.00 0.00 N ATOM 99 CA ARG A 7 5.317 10.889 3.668 1.00 0.00 C ATOM 100 C ARG A 7 5.105 9.675 4.567 1.00 0.00 C ATOM 101 O ARG A 7 5.760 9.531 5.601 1.00 0.00 O ATOM 102 CB ARG A 7 6.182 10.495 2.468 1.00 0.00 C ATOM 103 CG ARG A 7 5.825 11.224 1.184 1.00 0.00 C ATOM 104 CD ARG A 7 6.995 11.236 0.212 1.00 0.00 C ATOM 105 NE ARG A 7 6.775 12.143 -0.910 1.00 0.00 N ATOM 106 CZ ARG A 7 5.981 11.875 -1.949 1.00 0.00 C ATOM 107 NH1 ARG A 7 5.326 10.718 -2.017 1.00 0.00 N ATOM 108 NH2 ARG A 7 5.850 12.762 -2.929 1.00 0.00 N ATOM 0 H ARG A 7 6.836 11.738 4.837 1.00 0.00 H new ATOM 0 HA ARG A 7 4.345 11.234 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.227 10.691 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.089 9.422 2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.966 10.742 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.530 12.248 1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 7 7.901 11.530 0.742 1.00 0.00 H new ATOM 0 HD3 ARG A 7 7.160 10.227 -0.166 1.00 0.00 H new ATOM 0 HE ARG A 7 7.260 13.040 -0.900 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.429 10.029 -1.272 1.00 0.00 H new ATOM 0 HH12 ARG A 7 4.721 10.520 -2.814 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.356 13.647 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.244 12.558 -3.723 1.00 0.00 H new ATOM 122 N THR A 8 4.189 8.797 4.159 1.00 0.00 N ATOM 123 CA THR A 8 3.889 7.585 4.918 1.00 0.00 C ATOM 124 C THR A 8 2.927 6.686 4.144 1.00 0.00 C ATOM 125 O THR A 8 1.878 7.137 3.679 1.00 0.00 O ATOM 126 CB THR A 8 3.294 7.938 6.291 1.00 0.00 C ATOM 127 OG1 THR A 8 2.845 6.772 6.965 1.00 0.00 O ATOM 128 CG2 THR A 8 2.126 8.898 6.214 1.00 0.00 C ATOM 0 H THR A 8 3.641 8.904 3.305 1.00 0.00 H new ATOM 0 HA THR A 8 4.823 7.044 5.071 1.00 0.00 H new ATOM 0 HB THR A 8 4.106 8.421 6.835 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.448 6.026 6.765 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.756 9.103 7.219 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.451 9.829 5.750 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.329 8.454 5.618 1.00 0.00 H new ATOM 136 N ILE A 9 3.291 5.411 4.016 1.00 0.00 N ATOM 137 CA ILE A 9 2.462 4.447 3.309 1.00 0.00 C ATOM 138 C ILE A 9 1.815 3.465 4.284 1.00 0.00 C ATOM 139 O ILE A 9 2.503 2.726 4.992 1.00 0.00 O ATOM 140 CB ILE A 9 3.267 3.668 2.242 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.332 2.778 1.416 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.372 2.841 2.888 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.662 2.757 -0.060 1.00 0.00 C ATOM 0 H ILE A 9 4.156 5.025 4.394 1.00 0.00 H new ATOM 0 HA ILE A 9 1.682 5.013 2.800 1.00 0.00 H new ATOM 0 HB ILE A 9 3.738 4.389 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.376 1.760 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.307 3.124 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.923 2.303 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.053 3.501 3.426 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.932 2.127 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.959 2.107 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.589 3.767 -0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.676 2.382 -0.201 1.00 0.00 H new ATOM 155 N ARG A 10 0.486 3.471 4.319 1.00 0.00 N ATOM 156 CA ARG A 10 -0.263 2.588 5.203 1.00 0.00 C ATOM 157 C ARG A 10 -1.160 1.654 4.397 1.00 0.00 C ATOM 158 O ARG A 10 -2.143 2.090 3.795 1.00 0.00 O ATOM 159 CB ARG A 10 -1.099 3.411 6.186 1.00 0.00 C ATOM 160 CG ARG A 10 -0.447 3.578 7.549 1.00 0.00 C ATOM 161 CD ARG A 10 -0.331 5.044 7.940 1.00 0.00 C ATOM 162 NE ARG A 10 0.120 5.208 9.321 1.00 0.00 N ATOM 163 CZ ARG A 10 -0.672 5.065 10.389 1.00 0.00 C ATOM 164 NH1 ARG A 10 -1.959 4.757 10.240 1.00 0.00 N ATOM 165 NH2 ARG A 10 -0.174 5.231 11.609 1.00 0.00 N ATOM 0 H ARG A 10 -0.095 4.080 3.743 1.00 0.00 H new ATOM 0 HA ARG A 10 0.446 1.981 5.766 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.283 4.396 5.757 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.070 2.933 6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.031 3.046 8.300 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.544 3.125 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.367 5.544 7.269 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.298 5.531 7.814 1.00 0.00 H new ATOM 0 HE ARG A 10 1.099 5.446 9.480 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.348 4.628 9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.556 4.650 11.060 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.811 5.467 11.730 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.776 5.122 12.425 1.00 0.00 H new ATOM 179 N ILE A 11 -0.810 0.368 4.385 1.00 0.00 N ATOM 180 CA ILE A 11 -1.582 -0.631 3.648 1.00 0.00 C ATOM 181 C ILE A 11 -2.200 -1.654 4.598 1.00 0.00 C ATOM 182 O ILE A 11 -1.546 -2.117 5.536 1.00 0.00 O ATOM 183 CB ILE A 11 -0.718 -1.359 2.595 1.00 0.00 C ATOM 184 CG1 ILE A 11 0.518 -1.988 3.247 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.305 -0.399 1.485 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.121 -3.119 2.445 1.00 0.00 C ATOM 0 H ILE A 11 0.002 -0.006 4.877 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.378 -0.097 3.130 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.317 -2.157 2.157 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.273 -1.216 3.393 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.247 -2.360 4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.303 -0.930 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.195 -0.001 0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.273 0.422 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.991 -3.513 2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.382 -3.911 2.321 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.425 -2.749 1.466 1.00 0.00 H new ATOM 198 N LYS A 12 -3.463 -2.000 4.351 1.00 0.00 N ATOM 199 CA LYS A 12 -4.177 -2.965 5.186 1.00 0.00 C ATOM 200 C LYS A 12 -4.663 -4.151 4.359 1.00 0.00 C ATOM 201 O LYS A 12 -5.157 -3.975 3.245 1.00 0.00 O ATOM 202 CB LYS A 12 -5.363 -2.290 5.878 1.00 0.00 C ATOM 203 CG LYS A 12 -5.001 -1.604 7.186 1.00 0.00 C ATOM 204 CD LYS A 12 -4.062 -0.425 6.961 1.00 0.00 C ATOM 205 CE LYS A 12 -4.480 0.786 7.779 1.00 0.00 C ATOM 206 NZ LYS A 12 -4.335 0.553 9.245 1.00 0.00 N ATOM 0 H LYS A 12 -4.013 -1.626 3.578 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.484 -3.335 5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.796 -1.554 5.200 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.132 -3.037 6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.909 -1.257 7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.529 -2.323 7.856 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.045 -0.712 7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.051 -0.164 5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.876 1.645 7.488 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.517 1.035 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.261 0.656 9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.971 -0.407 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.671 1.248 9.643 1.00 0.00 H new ATOM 220 N THR A 13 -4.520 -5.357 4.912 1.00 0.00 N ATOM 221 CA THR A 13 -4.947 -6.573 4.223 1.00 0.00 C ATOM 222 C THR A 13 -5.589 -7.558 5.202 1.00 0.00 C ATOM 223 O THR A 13 -4.896 -8.215 5.983 1.00 0.00 O ATOM 224 CB THR A 13 -3.759 -7.231 3.516 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.934 -6.255 2.898 1.00 0.00 O ATOM 226 CG2 THR A 13 -4.172 -8.218 2.447 1.00 0.00 C ATOM 0 H THR A 13 -4.112 -5.516 5.833 1.00 0.00 H new ATOM 0 HA THR A 13 -5.692 -6.296 3.477 1.00 0.00 H new ATOM 0 HB THR A 13 -3.221 -7.766 4.299 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.181 -6.697 2.454 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.283 -8.648 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.768 -9.013 2.896 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.763 -7.706 1.688 1.00 0.00 H new ATOM 234 N GLN A 14 -6.918 -7.653 5.151 1.00 0.00 N ATOM 235 CA GLN A 14 -7.662 -8.555 6.028 1.00 0.00 C ATOM 236 C GLN A 14 -8.483 -9.552 5.215 1.00 0.00 C ATOM 237 O GLN A 14 -8.850 -9.277 4.069 1.00 0.00 O ATOM 238 CB GLN A 14 -8.574 -7.756 6.961 1.00 0.00 C ATOM 239 CG GLN A 14 -7.839 -7.128 8.136 1.00 0.00 C ATOM 240 CD GLN A 14 -8.343 -5.736 8.465 1.00 0.00 C ATOM 241 OE1 GLN A 14 -9.332 -5.575 9.180 1.00 0.00 O ATOM 242 NE2 GLN A 14 -7.665 -4.720 7.941 1.00 0.00 N ATOM 0 H GLN A 14 -7.501 -7.115 4.510 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.944 -9.113 6.629 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.067 -6.970 6.389 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.357 -8.412 7.341 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.950 -7.767 9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.774 -7.080 7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.851 -4.899 7.354 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.959 -3.761 8.126 1.00 0.00 H new ATOM 251 N GLN A 15 -8.768 -10.715 5.807 1.00 0.00 N ATOM 252 CA GLN A 15 -9.541 -11.752 5.128 1.00 0.00 C ATOM 253 C GLN A 15 -10.248 -12.654 6.134 1.00 0.00 C ATOM 254 O GLN A 15 -9.704 -12.956 7.194 1.00 0.00 O ATOM 255 CB GLN A 15 -8.619 -12.582 4.227 1.00 0.00 C ATOM 256 CG GLN A 15 -9.234 -13.882 3.728 1.00 0.00 C ATOM 257 CD GLN A 15 -8.940 -14.142 2.262 1.00 0.00 C ATOM 258 OE1 GLN A 15 -8.296 -15.266 1.978 1.00 0.00 O flip ATOM 259 NE2 GLN A 15 -9.287 -13.339 1.395 1.00 0.00 N flip ATOM 0 H GLN A 15 -8.475 -10.959 6.753 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.302 -11.269 4.515 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.330 -11.977 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.706 -12.813 4.776 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.854 -14.712 4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.313 -13.850 3.878 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.781 -12.486 1.658 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.081 -13.527 0.414 1.00 0.00 H new ATOM 268 N HIS A 16 -11.464 -13.086 5.802 1.00 0.00 N ATOM 269 CA HIS A 16 -12.227 -13.957 6.695 1.00 0.00 C ATOM 270 C HIS A 16 -12.863 -15.112 5.925 1.00 0.00 C ATOM 271 O HIS A 16 -13.677 -14.897 5.031 1.00 0.00 O ATOM 272 CB HIS A 16 -13.314 -13.161 7.429 1.00 0.00 C ATOM 273 CG HIS A 16 -12.932 -11.743 7.737 1.00 0.00 C ATOM 274 ND1 HIS A 16 -11.777 -11.399 8.405 1.00 0.00 N ATOM 275 CD2 HIS A 16 -13.564 -10.578 7.457 1.00 0.00 C ATOM 276 CE1 HIS A 16 -11.715 -10.085 8.528 1.00 0.00 C ATOM 277 NE2 HIS A 16 -12.787 -9.564 7.960 1.00 0.00 N ATOM 0 H HIS A 16 -11.938 -12.850 4.930 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.533 -14.369 7.427 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -14.220 -13.158 6.822 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.556 -13.671 8.361 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -11.078 -12.057 8.751 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -14.503 -10.468 6.936 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.923 -9.532 9.011 1.00 0.00 H new ATOM 286 N ILE A 17 -12.491 -16.338 6.289 1.00 0.00 N ATOM 287 CA ILE A 17 -13.032 -17.526 5.633 1.00 0.00 C ATOM 288 C ILE A 17 -13.841 -18.367 6.617 1.00 0.00 C ATOM 289 O ILE A 17 -13.277 -19.113 7.421 1.00 0.00 O ATOM 290 CB ILE A 17 -11.913 -18.397 5.020 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.893 -17.526 4.278 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.508 -19.440 4.081 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.626 -18.264 3.904 1.00 0.00 C ATOM 0 H ILE A 17 -11.820 -16.534 7.032 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.682 -17.179 4.830 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.396 -18.912 5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.355 -17.131 3.373 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.635 -16.671 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.708 -20.046 3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.193 -20.081 4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.049 -18.940 3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.951 -17.586 3.382 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.141 -18.635 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.872 -19.103 3.253 1.00 0.00 H new ATOM 476 N VAL A 29 -17.260 -19.430 1.510 1.00 0.00 N ATOM 477 CA VAL A 29 -16.979 -18.073 1.045 1.00 0.00 C ATOM 478 C VAL A 29 -15.894 -17.415 1.900 1.00 0.00 C ATOM 479 O VAL A 29 -15.764 -17.711 3.090 1.00 0.00 O ATOM 480 CB VAL A 29 -18.251 -17.195 1.071 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.986 -15.833 0.445 1.00 0.00 C ATOM 482 CG2 VAL A 29 -19.404 -17.893 0.360 1.00 0.00 C ATOM 0 HA VAL A 29 -16.627 -18.153 0.017 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.531 -17.042 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.897 -15.235 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.199 -15.324 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.673 -15.963 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.289 -17.257 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -19.130 -18.084 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -19.619 -18.838 0.858 1.00 0.00 H new ATOM 492 N ARG A 30 -15.124 -16.520 1.281 1.00 0.00 N ATOM 493 CA ARG A 30 -14.049 -15.813 1.973 1.00 0.00 C ATOM 494 C ARG A 30 -14.194 -14.300 1.819 1.00 0.00 C ATOM 495 O ARG A 30 -14.752 -13.813 0.835 1.00 0.00 O ATOM 496 CB ARG A 30 -12.683 -16.262 1.442 1.00 0.00 C ATOM 497 CG ARG A 30 -12.569 -16.229 -0.075 1.00 0.00 C ATOM 498 CD ARG A 30 -11.225 -16.757 -0.548 1.00 0.00 C ATOM 499 NE ARG A 30 -11.255 -18.201 -0.781 1.00 0.00 N ATOM 500 CZ ARG A 30 -10.392 -18.850 -1.568 1.00 0.00 C ATOM 501 NH1 ARG A 30 -9.433 -18.187 -2.212 1.00 0.00 N ATOM 502 NH2 ARG A 30 -10.490 -20.167 -1.716 1.00 0.00 N ATOM 0 H ARG A 30 -15.226 -16.268 0.298 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.119 -16.059 3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.910 -15.622 1.868 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.485 -17.276 1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.369 -16.825 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.703 -15.207 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.939 -16.247 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.462 -16.525 0.196 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.980 -18.746 -0.314 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.353 -17.176 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.779 -18.691 -2.811 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.224 -20.682 -1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.832 -20.663 -2.317 1.00 0.00 H new ATOM 516 N GLN A 31 -13.677 -13.563 2.796 1.00 0.00 N ATOM 517 CA GLN A 31 -13.732 -12.107 2.777 1.00 0.00 C ATOM 518 C GLN A 31 -12.346 -11.532 2.515 1.00 0.00 C ATOM 519 O GLN A 31 -11.341 -12.176 2.802 1.00 0.00 O ATOM 520 CB GLN A 31 -14.287 -11.580 4.100 1.00 0.00 C ATOM 521 CG GLN A 31 -15.384 -10.544 3.924 1.00 0.00 C ATOM 522 CD GLN A 31 -16.523 -10.717 4.912 1.00 0.00 C ATOM 523 OE1 GLN A 31 -16.901 -11.837 5.254 1.00 0.00 O ATOM 524 NE2 GLN A 31 -17.080 -9.602 5.372 1.00 0.00 N ATOM 0 H GLN A 31 -13.212 -13.954 3.616 1.00 0.00 H new ATOM 0 HA GLN A 31 -14.397 -11.792 1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.677 -12.416 4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.473 -11.142 4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.958 -9.547 4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.777 -10.607 2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.735 -8.694 5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -17.853 -9.654 6.036 1.00 0.00 H new ATOM 533 N TRP A 32 -12.294 -10.325 1.961 1.00 0.00 N ATOM 534 CA TRP A 32 -11.017 -9.682 1.655 1.00 0.00 C ATOM 535 C TRP A 32 -11.137 -8.159 1.672 1.00 0.00 C ATOM 536 O TRP A 32 -12.104 -7.592 1.161 1.00 0.00 O ATOM 537 CB TRP A 32 -10.492 -10.151 0.290 1.00 0.00 C ATOM 538 CG TRP A 32 -11.489 -10.009 -0.822 1.00 0.00 C ATOM 539 CD1 TRP A 32 -12.588 -10.788 -1.043 1.00 0.00 C ATOM 540 CD2 TRP A 32 -11.474 -9.028 -1.866 1.00 0.00 C ATOM 541 NE1 TRP A 32 -13.260 -10.350 -2.159 1.00 0.00 N ATOM 542 CE2 TRP A 32 -12.596 -9.272 -2.683 1.00 0.00 C ATOM 543 CE3 TRP A 32 -10.625 -7.966 -2.188 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -12.887 -8.492 -3.799 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -10.914 -7.194 -3.298 1.00 0.00 C ATOM 546 CH2 TRP A 32 -12.036 -7.461 -4.092 1.00 0.00 C ATOM 0 H TRP A 32 -13.116 -9.773 1.715 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.309 -9.974 2.431 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.598 -9.580 0.039 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.192 -11.196 0.366 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.886 -11.626 -0.430 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -14.114 -10.761 -2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.758 -7.752 -1.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -13.753 -8.693 -4.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.264 -6.372 -3.557 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -12.234 -6.840 -4.953 1.00 0.00 H new ATOM 557 N SER A 33 -10.137 -7.508 2.263 1.00 0.00 N ATOM 558 CA SER A 33 -10.111 -6.053 2.353 1.00 0.00 C ATOM 559 C SER A 33 -8.691 -5.530 2.152 1.00 0.00 C ATOM 560 O SER A 33 -7.791 -5.837 2.937 1.00 0.00 O ATOM 561 CB SER A 33 -10.653 -5.594 3.710 1.00 0.00 C ATOM 562 OG SER A 33 -10.832 -4.189 3.745 1.00 0.00 O ATOM 0 H SER A 33 -9.332 -7.969 2.688 1.00 0.00 H new ATOM 0 HA SER A 33 -10.746 -5.648 1.565 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.603 -6.089 3.910 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.964 -5.895 4.500 1.00 0.00 H new ATOM 0 HG SER A 33 -11.180 -3.925 4.622 1.00 0.00 H new ATOM 568 N ILE A 34 -8.496 -4.739 1.096 1.00 0.00 N ATOM 569 CA ILE A 34 -7.184 -4.174 0.790 1.00 0.00 C ATOM 570 C ILE A 34 -7.265 -2.661 0.586 1.00 0.00 C ATOM 571 O ILE A 34 -8.249 -2.151 0.053 1.00 0.00 O ATOM 572 CB ILE A 34 -6.569 -4.832 -0.468 1.00 0.00 C ATOM 573 CG1 ILE A 34 -5.149 -4.306 -0.716 1.00 0.00 C ATOM 574 CG2 ILE A 34 -7.451 -4.591 -1.688 1.00 0.00 C ATOM 575 CD1 ILE A 34 -4.169 -4.652 0.388 1.00 0.00 C ATOM 0 H ILE A 34 -9.231 -4.476 0.439 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.541 -4.380 1.646 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.510 -5.907 -0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.780 -4.712 -1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.187 -3.223 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.000 -5.062 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.438 -5.019 -1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.546 -3.519 -1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.187 -4.247 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.514 -4.223 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.100 -5.735 0.487 1.00 0.00 H new ATOM 587 N GLU A 35 -6.224 -1.950 1.014 1.00 0.00 N ATOM 588 CA GLU A 35 -6.176 -0.496 0.875 1.00 0.00 C ATOM 589 C GLU A 35 -4.738 0.011 0.933 1.00 0.00 C ATOM 590 O GLU A 35 -3.868 -0.634 1.523 1.00 0.00 O ATOM 591 CB GLU A 35 -7.011 0.170 1.972 1.00 0.00 C ATOM 592 CG GLU A 35 -6.467 -0.050 3.377 1.00 0.00 C ATOM 593 CD GLU A 35 -5.889 1.212 3.997 1.00 0.00 C ATOM 594 OE1 GLU A 35 -5.038 1.860 3.353 1.00 0.00 O ATOM 595 OE2 GLU A 35 -6.290 1.551 5.127 1.00 0.00 O ATOM 0 H GLU A 35 -5.402 -2.357 1.460 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.593 -0.235 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.063 1.241 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.030 -0.213 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.266 -0.428 4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.695 -0.819 3.345 1.00 0.00 H new ATOM 602 N ILE A 36 -4.498 1.172 0.325 1.00 0.00 N ATOM 603 CA ILE A 36 -3.167 1.774 0.312 1.00 0.00 C ATOM 604 C ILE A 36 -3.257 3.300 0.297 1.00 0.00 C ATOM 605 O ILE A 36 -3.911 3.885 -0.567 1.00 0.00 O ATOM 606 CB ILE A 36 -2.339 1.296 -0.900 1.00 0.00 C ATOM 607 CG1 ILE A 36 -0.928 1.894 -0.860 1.00 0.00 C ATOM 608 CG2 ILE A 36 -3.036 1.657 -2.205 1.00 0.00 C ATOM 609 CD1 ILE A 36 0.027 1.258 -1.846 1.00 0.00 C ATOM 0 H ILE A 36 -5.209 1.714 -0.165 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.664 1.453 1.224 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.254 0.211 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.989 2.963 -1.064 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.524 1.784 0.147 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.435 1.311 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.016 1.180 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.157 2.739 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.005 1.731 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.118 0.194 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.354 1.391 -2.859 1.00 0.00 H new ATOM 621 N VAL A 37 -2.594 3.933 1.261 1.00 0.00 N ATOM 622 CA VAL A 37 -2.596 5.391 1.362 1.00 0.00 C ATOM 623 C VAL A 37 -1.174 5.939 1.475 1.00 0.00 C ATOM 624 O VAL A 37 -0.418 5.550 2.368 1.00 0.00 O ATOM 625 CB VAL A 37 -3.432 5.875 2.568 1.00 0.00 C ATOM 626 CG1 VAL A 37 -4.897 5.509 2.385 1.00 0.00 C ATOM 627 CG2 VAL A 37 -2.890 5.300 3.872 1.00 0.00 C ATOM 0 H VAL A 37 -2.049 3.461 1.983 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.051 5.770 0.447 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.354 6.961 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.469 5.858 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.279 5.980 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.994 4.427 2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.495 5.655 4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.929 4.211 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.858 5.622 4.010 1.00 0.00 H new ATOM 637 N LEU A 38 -0.815 6.837 0.558 1.00 0.00 N ATOM 638 CA LEU A 38 0.514 7.439 0.543 1.00 0.00 C ATOM 639 C LEU A 38 0.430 8.940 0.253 1.00 0.00 C ATOM 640 O LEU A 38 -0.392 9.379 -0.554 1.00 0.00 O ATOM 641 CB LEU A 38 1.390 6.744 -0.506 1.00 0.00 C ATOM 642 CG LEU A 38 2.784 7.345 -0.706 1.00 0.00 C ATOM 643 CD1 LEU A 38 3.856 6.277 -0.549 1.00 0.00 C ATOM 644 CD2 LEU A 38 2.886 8.008 -2.072 1.00 0.00 C ATOM 0 H LEU A 38 -1.431 7.164 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 38 0.964 7.308 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.502 5.697 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.865 6.762 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 38 2.944 8.105 0.059 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.839 6.724 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.798 5.847 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.700 5.493 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.883 8.430 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.705 7.267 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.144 8.802 -2.147 1.00 0.00 H new ATOM 656 N LEU A 39 1.289 9.718 0.912 1.00 0.00 N ATOM 657 CA LEU A 39 1.316 11.168 0.725 1.00 0.00 C ATOM 658 C LEU A 39 2.085 11.538 -0.541 1.00 0.00 C ATOM 659 O LEU A 39 2.799 10.710 -1.103 1.00 0.00 O ATOM 660 CB LEU A 39 1.958 11.854 1.937 1.00 0.00 C ATOM 661 CG LEU A 39 1.075 11.947 3.186 1.00 0.00 C ATOM 662 CD1 LEU A 39 -0.117 12.859 2.935 1.00 0.00 C ATOM 663 CD2 LEU A 39 0.609 10.565 3.623 1.00 0.00 C ATOM 0 H LEU A 39 1.975 9.368 1.580 1.00 0.00 H new ATOM 0 HA LEU A 39 0.287 11.512 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.869 11.316 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.255 12.862 1.647 1.00 0.00 H new ATOM 0 HG LEU A 39 1.671 12.376 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.731 12.911 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.237 13.858 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.712 12.462 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.016 10.656 4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.034 10.104 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.475 9.944 3.851 1.00 0.00 H new ATOM 675 N ASP A 40 1.940 12.790 -0.983 1.00 0.00 N ATOM 676 CA ASP A 40 2.632 13.261 -2.180 1.00 0.00 C ATOM 677 C ASP A 40 2.870 14.769 -2.131 1.00 0.00 C ATOM 678 O ASP A 40 4.017 15.214 -2.056 1.00 0.00 O ATOM 679 CB ASP A 40 1.854 12.886 -3.440 1.00 0.00 C ATOM 680 CG ASP A 40 2.708 12.099 -4.409 1.00 0.00 C ATOM 681 OD1 ASP A 40 3.471 12.734 -5.167 1.00 0.00 O ATOM 682 OD2 ASP A 40 2.635 10.851 -4.390 1.00 0.00 O ATOM 0 H ASP A 40 1.352 13.491 -0.531 1.00 0.00 H new ATOM 0 HA ASP A 40 3.604 12.768 -2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.978 12.298 -3.166 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.491 13.791 -3.927 1.00 0.00 H new ATOM 687 N ASP A 41 1.786 15.553 -2.166 1.00 0.00 N ATOM 688 CA ASP A 41 1.891 17.015 -2.114 1.00 0.00 C ATOM 689 C ASP A 41 2.474 17.478 -0.777 1.00 0.00 C ATOM 690 O ASP A 41 3.005 18.586 -0.673 1.00 0.00 O ATOM 691 CB ASP A 41 0.522 17.669 -2.334 1.00 0.00 C ATOM 692 CG ASP A 41 -0.082 17.342 -3.690 1.00 0.00 C ATOM 693 OD1 ASP A 41 0.679 17.162 -4.665 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.321 17.261 -3.778 1.00 0.00 O ATOM 0 H ASP A 41 0.831 15.201 -2.230 1.00 0.00 H new ATOM 0 HA ASP A 41 2.563 17.323 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.161 17.342 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.623 18.750 -2.238 1.00 0.00 H new ATOM 699 N GLU A 42 2.377 16.619 0.240 1.00 0.00 N ATOM 700 CA GLU A 42 2.899 16.932 1.565 1.00 0.00 C ATOM 701 C GLU A 42 4.381 16.569 1.660 1.00 0.00 C ATOM 702 O GLU A 42 5.142 17.213 2.384 1.00 0.00 O ATOM 703 CB GLU A 42 2.105 16.181 2.636 1.00 0.00 C ATOM 704 CG GLU A 42 1.896 16.984 3.910 1.00 0.00 C ATOM 705 CD GLU A 42 2.049 16.151 5.173 1.00 0.00 C ATOM 706 OE1 GLU A 42 1.738 14.939 5.134 1.00 0.00 O ATOM 707 OE2 GLU A 42 2.475 16.713 6.200 1.00 0.00 O ATOM 0 H GLU A 42 1.940 15.700 0.167 1.00 0.00 H new ATOM 0 HA GLU A 42 2.794 18.004 1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.133 15.902 2.228 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.626 15.255 2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.611 17.806 3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.901 17.428 3.893 1.00 0.00 H new ATOM 714 N GLY A 43 4.782 15.533 0.918 1.00 0.00 N ATOM 715 CA GLY A 43 6.166 15.101 0.926 1.00 0.00 C ATOM 716 C GLY A 43 6.897 15.473 -0.349 1.00 0.00 C ATOM 717 O GLY A 43 7.687 14.680 -0.864 1.00 0.00 O ATOM 0 H GLY A 43 4.168 14.988 0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.678 15.548 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.205 14.020 1.062 1.00 0.00 H new ATOM 721 N LYS A 44 6.636 16.679 -0.857 1.00 0.00 N ATOM 722 CA LYS A 44 7.274 17.159 -2.076 1.00 0.00 C ATOM 723 C LYS A 44 6.872 16.303 -3.278 1.00 0.00 C ATOM 724 O LYS A 44 7.448 15.240 -3.523 1.00 0.00 O ATOM 725 CB LYS A 44 8.798 17.172 -1.914 1.00 0.00 C ATOM 726 CG LYS A 44 9.391 18.569 -1.867 1.00 0.00 C ATOM 727 CD LYS A 44 10.865 18.544 -1.496 1.00 0.00 C ATOM 728 CE LYS A 44 11.562 19.832 -1.908 1.00 0.00 C ATOM 729 NZ LYS A 44 12.169 20.537 -0.743 1.00 0.00 N ATOM 0 H LYS A 44 5.983 17.341 -0.438 1.00 0.00 H new ATOM 0 HA LYS A 44 6.934 18.179 -2.257 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.062 16.643 -0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.248 16.623 -2.741 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.269 19.049 -2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.844 19.172 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.969 18.400 -0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.349 17.696 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.338 19.606 -2.639 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.845 20.491 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.633 21.409 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.426 20.776 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.872 19.918 -0.291 1.00 0.00 H new ATOM 743 N GLU A 45 5.879 16.781 -4.025 1.00 0.00 N ATOM 744 CA GLU A 45 5.393 16.073 -5.208 1.00 0.00 C ATOM 745 C GLU A 45 6.426 16.095 -6.347 1.00 0.00 C ATOM 746 O GLU A 45 6.288 15.363 -7.330 1.00 0.00 O ATOM 747 CB GLU A 45 4.072 16.683 -5.697 1.00 0.00 C ATOM 748 CG GLU A 45 4.137 18.186 -5.942 1.00 0.00 C ATOM 749 CD GLU A 45 3.457 18.994 -4.850 1.00 0.00 C ATOM 750 OE1 GLU A 45 4.046 19.127 -3.757 1.00 0.00 O ATOM 751 OE2 GLU A 45 2.344 19.505 -5.092 1.00 0.00 O ATOM 0 H GLU A 45 5.394 17.657 -3.832 1.00 0.00 H new ATOM 0 HA GLU A 45 5.227 15.035 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.775 16.187 -6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.295 16.478 -4.961 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.181 18.492 -6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.669 18.413 -6.900 1.00 0.00 H new ATOM 758 N ILE A 46 7.458 16.938 -6.209 1.00 0.00 N ATOM 759 CA ILE A 46 8.502 17.056 -7.227 1.00 0.00 C ATOM 760 C ILE A 46 9.553 15.956 -7.067 1.00 0.00 C ATOM 761 O ILE A 46 10.008 15.682 -5.955 1.00 0.00 O ATOM 762 CB ILE A 46 9.203 18.433 -7.159 1.00 0.00 C ATOM 763 CG1 ILE A 46 8.169 19.567 -7.112 1.00 0.00 C ATOM 764 CG2 ILE A 46 10.143 18.611 -8.342 1.00 0.00 C ATOM 765 CD1 ILE A 46 8.011 20.193 -5.741 1.00 0.00 C ATOM 0 H ILE A 46 7.589 17.547 -5.401 1.00 0.00 H new ATOM 0 HA ILE A 46 8.013 16.952 -8.195 1.00 0.00 H new ATOM 0 HB ILE A 46 9.792 18.473 -6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.459 20.340 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.204 19.180 -7.438 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.628 19.585 -8.278 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.900 17.827 -8.326 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.575 18.548 -9.270 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.264 20.986 -5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.690 19.433 -5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 46 8.965 20.611 -5.420 1.00 0.00 H new ATOM 777 N PRO A 47 9.956 15.315 -8.185 1.00 0.00 N ATOM 778 CA PRO A 47 10.961 14.247 -8.167 1.00 0.00 C ATOM 779 C PRO A 47 12.386 14.782 -8.007 1.00 0.00 C ATOM 780 O PRO A 47 12.591 15.979 -7.785 1.00 0.00 O ATOM 781 CB PRO A 47 10.787 13.587 -9.537 1.00 0.00 C ATOM 782 CG PRO A 47 10.316 14.690 -10.419 1.00 0.00 C ATOM 783 CD PRO A 47 9.464 15.582 -9.555 1.00 0.00 C ATOM 0 HA PRO A 47 10.822 13.569 -7.325 1.00 0.00 H new ATOM 0 HB2 PRO A 47 11.725 13.163 -9.896 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.063 12.773 -9.497 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.158 15.241 -10.837 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.743 14.299 -11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.581 16.632 -9.825 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.405 15.343 -9.654 1.00 0.00 H new ATOM 791 N ALA A 48 13.369 13.885 -8.130 1.00 0.00 N ATOM 792 CA ALA A 48 14.777 14.258 -8.007 1.00 0.00 C ATOM 793 C ALA A 48 15.684 13.184 -8.606 1.00 0.00 C ATOM 794 O ALA A 48 16.380 13.427 -9.591 1.00 0.00 O ATOM 795 CB ALA A 48 15.132 14.512 -6.550 1.00 0.00 C ATOM 0 H ALA A 48 13.213 12.894 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 48 14.936 15.179 -8.568 1.00 0.00 H new ATOM 0 HB1 ALA A 48 16.184 14.789 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.515 15.322 -6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.952 13.608 -5.969 1.00 0.00 H new ATOM 801 N THR A 49 15.662 11.991 -8.008 1.00 0.00 N ATOM 802 CA THR A 49 16.473 10.873 -8.487 1.00 0.00 C ATOM 803 C THR A 49 15.577 9.732 -8.966 1.00 0.00 C ATOM 804 O THR A 49 15.729 9.244 -10.087 1.00 0.00 O ATOM 805 CB THR A 49 17.421 10.377 -7.386 1.00 0.00 C ATOM 806 OG1 THR A 49 18.160 11.454 -6.834 1.00 0.00 O ATOM 807 CG2 THR A 49 18.418 9.344 -7.867 1.00 0.00 C ATOM 0 H THR A 49 15.091 11.776 -7.191 1.00 0.00 H new ATOM 0 HA THR A 49 17.074 11.223 -9.326 1.00 0.00 H new ATOM 0 HB THR A 49 16.773 9.915 -6.641 1.00 0.00 H new ATOM 0 HG1 THR A 49 18.660 11.141 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.055 9.039 -7.037 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.884 8.476 -8.253 1.00 0.00 H new ATOM 0 HG23 THR A 49 19.033 9.773 -8.658 1.00 0.00 H new ATOM 815 N ILE A 50 14.638 9.323 -8.114 1.00 0.00 N ATOM 816 CA ILE A 50 13.709 8.251 -8.455 1.00 0.00 C ATOM 817 C ILE A 50 12.277 8.637 -8.087 1.00 0.00 C ATOM 818 O ILE A 50 11.530 9.115 -8.939 1.00 0.00 O ATOM 819 CB ILE A 50 14.081 6.908 -7.778 1.00 0.00 C ATOM 820 CG1 ILE A 50 14.852 7.138 -6.471 1.00 0.00 C ATOM 821 CG2 ILE A 50 14.895 6.045 -8.730 1.00 0.00 C ATOM 822 CD1 ILE A 50 14.612 6.066 -5.433 1.00 0.00 C ATOM 0 H ILE A 50 14.502 9.718 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 50 13.780 8.108 -9.533 1.00 0.00 H new ATOM 0 HB ILE A 50 13.156 6.387 -7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.918 7.187 -6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.567 8.105 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 50 15.149 5.105 -8.241 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.310 5.841 -9.627 1.00 0.00 H new ATOM 0 HG23 ILE A 50 15.810 6.570 -9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.188 6.293 -4.536 1.00 0.00 H new ATOM 0 HD12 ILE A 50 13.551 6.031 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.923 5.100 -5.829 1.00 0.00 H new ATOM 834 N PHE A 51 11.904 8.442 -6.813 1.00 0.00 N ATOM 835 CA PHE A 51 10.565 8.782 -6.330 1.00 0.00 C ATOM 836 C PHE A 51 9.481 8.106 -7.182 1.00 0.00 C ATOM 837 O PHE A 51 9.075 8.623 -8.223 1.00 0.00 O ATOM 838 CB PHE A 51 10.392 10.308 -6.303 1.00 0.00 C ATOM 839 CG PHE A 51 8.963 10.784 -6.244 1.00 0.00 C ATOM 840 CD1 PHE A 51 8.052 10.202 -5.373 1.00 0.00 C ATOM 841 CD2 PHE A 51 8.532 11.818 -7.061 1.00 0.00 C ATOM 842 CE1 PHE A 51 6.742 10.640 -5.320 1.00 0.00 C ATOM 843 CE2 PHE A 51 7.225 12.259 -7.010 1.00 0.00 C ATOM 844 CZ PHE A 51 6.330 11.670 -6.141 1.00 0.00 C ATOM 0 H PHE A 51 12.517 8.049 -6.099 1.00 0.00 H new ATOM 0 HA PHE A 51 10.452 8.406 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.928 10.705 -5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.863 10.728 -7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.371 9.396 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.226 12.283 -7.745 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.043 10.178 -4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.903 13.066 -7.651 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.307 12.015 -6.103 1.00 0.00 H new ATOM 854 N ASP A 52 9.020 6.941 -6.719 1.00 0.00 N ATOM 855 CA ASP A 52 7.989 6.173 -7.417 1.00 0.00 C ATOM 856 C ASP A 52 7.526 5.001 -6.553 1.00 0.00 C ATOM 857 O ASP A 52 8.326 4.398 -5.838 1.00 0.00 O ATOM 858 CB ASP A 52 8.519 5.649 -8.757 1.00 0.00 C ATOM 859 CG ASP A 52 7.415 5.360 -9.759 1.00 0.00 C ATOM 860 OD1 ASP A 52 6.550 4.505 -9.469 1.00 0.00 O ATOM 861 OD2 ASP A 52 7.418 5.984 -10.839 1.00 0.00 O ATOM 0 H ASP A 52 9.349 6.507 -5.856 1.00 0.00 H new ATOM 0 HA ASP A 52 7.143 6.834 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.205 6.382 -9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.092 4.738 -8.584 1.00 0.00 H new ATOM 866 N LYS A 53 6.237 4.683 -6.617 1.00 0.00 N ATOM 867 CA LYS A 53 5.686 3.580 -5.833 1.00 0.00 C ATOM 868 C LYS A 53 4.711 2.747 -6.660 1.00 0.00 C ATOM 869 O LYS A 53 3.851 3.288 -7.353 1.00 0.00 O ATOM 870 CB LYS A 53 4.978 4.108 -4.581 1.00 0.00 C ATOM 871 CG LYS A 53 5.814 5.070 -3.753 1.00 0.00 C ATOM 872 CD LYS A 53 5.461 6.518 -4.055 1.00 0.00 C ATOM 873 CE LYS A 53 6.706 7.357 -4.281 1.00 0.00 C ATOM 874 NZ LYS A 53 7.214 7.965 -3.019 1.00 0.00 N ATOM 0 H LYS A 53 5.556 5.170 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 53 6.518 2.944 -5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.058 4.609 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.691 3.263 -3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.658 4.870 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.872 4.902 -3.956 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.825 6.562 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.886 6.934 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.485 6.735 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.484 8.147 -4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.966 8.975 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.783 7.484 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.248 7.862 -2.975 1.00 0.00 H new ATOM 888 N VAL A 54 4.851 1.425 -6.570 1.00 0.00 N ATOM 889 CA VAL A 54 3.979 0.504 -7.298 1.00 0.00 C ATOM 890 C VAL A 54 3.193 -0.371 -6.325 1.00 0.00 C ATOM 891 O VAL A 54 3.694 -0.728 -5.253 1.00 0.00 O ATOM 892 CB VAL A 54 4.772 -0.396 -8.269 1.00 0.00 C ATOM 893 CG1 VAL A 54 3.828 -1.202 -9.149 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.724 0.432 -9.121 1.00 0.00 C ATOM 0 H VAL A 54 5.561 0.967 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 54 3.290 1.113 -7.883 1.00 0.00 H new ATOM 0 HB VAL A 54 5.365 -1.092 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.408 -1.829 -9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.196 -1.832 -8.523 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.203 -0.523 -9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.272 -0.224 -9.797 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.155 1.158 -9.702 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.428 0.956 -8.475 1.00 0.00 H new ATOM 904 N ILE A 55 1.959 -0.705 -6.698 1.00 0.00 N ATOM 905 CA ILE A 55 1.094 -1.528 -5.857 1.00 0.00 C ATOM 906 C ILE A 55 0.604 -2.773 -6.595 1.00 0.00 C ATOM 907 O ILE A 55 0.153 -2.694 -7.739 1.00 0.00 O ATOM 908 CB ILE A 55 -0.137 -0.745 -5.354 1.00 0.00 C ATOM 909 CG1 ILE A 55 0.207 0.725 -5.089 1.00 0.00 C ATOM 910 CG2 ILE A 55 -0.700 -1.398 -4.099 1.00 0.00 C ATOM 911 CD1 ILE A 55 -1.009 1.617 -4.958 1.00 0.00 C ATOM 0 H ILE A 55 1.535 -0.417 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 55 1.705 -1.826 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.896 -0.772 -6.135 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.797 0.792 -4.175 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.833 1.095 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.568 -0.836 -3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.997 -2.422 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.061 -1.404 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.690 2.642 -4.771 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.589 1.580 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.625 1.272 -4.128 1.00 0.00 H new ATOM 923 N TYR A 56 0.682 -3.915 -5.914 1.00 0.00 N ATOM 924 CA TYR A 56 0.233 -5.186 -6.473 1.00 0.00 C ATOM 925 C TYR A 56 -0.585 -5.947 -5.439 1.00 0.00 C ATOM 926 O TYR A 56 -0.204 -6.022 -4.271 1.00 0.00 O ATOM 927 CB TYR A 56 1.428 -6.029 -6.923 1.00 0.00 C ATOM 928 CG TYR A 56 2.035 -5.569 -8.229 1.00 0.00 C ATOM 929 CD1 TYR A 56 1.391 -5.810 -9.437 1.00 0.00 C ATOM 930 CD2 TYR A 56 3.249 -4.896 -8.255 1.00 0.00 C ATOM 931 CE1 TYR A 56 1.941 -5.393 -10.633 1.00 0.00 C ATOM 932 CE2 TYR A 56 3.805 -4.476 -9.448 1.00 0.00 C ATOM 933 CZ TYR A 56 3.148 -4.726 -10.633 1.00 0.00 C ATOM 934 OH TYR A 56 3.700 -4.309 -11.824 1.00 0.00 O ATOM 0 H TYR A 56 1.055 -3.984 -4.967 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.391 -4.982 -7.343 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.193 -6.003 -6.147 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.112 -7.067 -7.024 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.445 -6.332 -9.440 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.767 -4.698 -7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.429 -5.588 -11.563 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.750 -3.954 -9.452 1.00 0.00 H new ATOM 0 HH TYR A 56 4.550 -3.854 -11.649 1.00 0.00 H new ATOM 944 N HIS A 57 -1.715 -6.499 -5.868 1.00 0.00 N ATOM 945 CA HIS A 57 -2.588 -7.241 -4.966 1.00 0.00 C ATOM 946 C HIS A 57 -3.478 -8.212 -5.734 1.00 0.00 C ATOM 947 O HIS A 57 -4.117 -7.834 -6.718 1.00 0.00 O ATOM 948 CB HIS A 57 -3.447 -6.273 -4.137 1.00 0.00 C ATOM 949 CG HIS A 57 -4.361 -5.409 -4.957 1.00 0.00 C ATOM 950 ND1 HIS A 57 -3.915 -4.554 -5.947 1.00 0.00 N ATOM 951 CD2 HIS A 57 -5.709 -5.271 -4.926 1.00 0.00 C ATOM 952 CE1 HIS A 57 -4.947 -3.929 -6.485 1.00 0.00 C ATOM 953 NE2 HIS A 57 -6.045 -4.347 -5.883 1.00 0.00 N ATOM 0 H HIS A 57 -2.047 -6.447 -6.831 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.959 -7.822 -4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.045 -6.849 -3.431 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.789 -5.632 -3.549 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.391 -5.791 -4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.900 -3.201 -7.281 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.992 -4.033 -6.095 1.00 0.00 H new ATOM 962 N LEU A 58 -3.500 -9.470 -5.279 1.00 0.00 N ATOM 963 CA LEU A 58 -4.300 -10.517 -5.912 1.00 0.00 C ATOM 964 C LEU A 58 -3.666 -10.952 -7.234 1.00 0.00 C ATOM 965 O LEU A 58 -2.591 -10.474 -7.605 1.00 0.00 O ATOM 966 CB LEU A 58 -5.747 -10.049 -6.143 1.00 0.00 C ATOM 967 CG LEU A 58 -6.390 -9.282 -4.978 1.00 0.00 C ATOM 968 CD1 LEU A 58 -7.384 -8.249 -5.495 1.00 0.00 C ATOM 969 CD2 LEU A 58 -7.070 -10.241 -4.011 1.00 0.00 C ATOM 0 H LEU A 58 -2.968 -9.786 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.325 -11.372 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.767 -9.413 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.362 -10.922 -6.363 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.600 -8.758 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.827 -7.718 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.868 -7.539 -6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.169 -8.751 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.519 -9.676 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.846 -10.798 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.333 -10.937 -3.610 1.00 0.00 H new ATOM 1071 N PRO A 65 -2.445 -3.239 -13.346 1.00 0.00 N ATOM 1072 CA PRO A 65 -1.810 -3.122 -12.021 1.00 0.00 C ATOM 1073 C PRO A 65 -2.021 -1.748 -11.382 1.00 0.00 C ATOM 1074 O PRO A 65 -2.507 -0.817 -12.031 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.322 -3.353 -12.315 1.00 0.00 C ATOM 1076 CG PRO A 65 -0.296 -4.098 -13.604 1.00 0.00 C ATOM 1077 CD PRO A 65 -1.468 -3.590 -14.390 1.00 0.00 C ATOM 0 HA PRO A 65 -2.235 -3.829 -11.309 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.216 -2.408 -12.394 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.154 -3.925 -11.519 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.638 -3.924 -14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.373 -5.172 -13.437 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.201 -2.726 -14.999 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.858 -4.349 -15.068 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.653 -1.629 -10.104 1.00 0.00 N ATOM 1086 CA ASN A 66 -1.806 -0.373 -9.370 1.00 0.00 C ATOM 1087 C ASN A 66 -0.476 0.376 -9.258 1.00 0.00 C ATOM 1088 O ASN A 66 0.595 -0.233 -9.253 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.383 -0.642 -7.975 1.00 0.00 C ATOM 1090 CG ASN A 66 -3.901 -0.720 -7.976 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.513 -1.134 -8.959 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.520 -0.322 -6.867 1.00 0.00 N ATOM 0 H ASN A 66 -1.247 -2.388 -9.557 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.498 0.258 -9.927 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.975 -1.577 -7.591 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.064 0.148 -7.295 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.538 -0.354 -6.812 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.976 0.015 -6.073 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.560 1.706 -9.169 1.00 0.00 N ATOM 1100 CA ARG A 67 0.625 2.560 -9.059 1.00 0.00 C ATOM 1101 C ARG A 67 0.345 3.766 -8.164 1.00 0.00 C ATOM 1102 O ARG A 67 -0.805 4.181 -8.009 1.00 0.00 O ATOM 1103 CB ARG A 67 1.071 3.050 -10.445 1.00 0.00 C ATOM 1104 CG ARG A 67 1.270 1.942 -11.470 1.00 0.00 C ATOM 1105 CD ARG A 67 2.458 1.056 -11.123 1.00 0.00 C ATOM 1106 NE ARG A 67 3.624 1.339 -11.959 1.00 0.00 N ATOM 1107 CZ ARG A 67 3.774 0.897 -13.212 1.00 0.00 C ATOM 1108 NH1 ARG A 67 2.815 0.176 -13.794 1.00 0.00 N ATOM 1109 NH2 ARG A 67 4.880 1.182 -13.887 1.00 0.00 N ATOM 0 H ARG A 67 -1.443 2.217 -9.171 1.00 0.00 H new ATOM 0 HA ARG A 67 1.422 1.964 -8.615 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.328 3.751 -10.825 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.005 3.602 -10.339 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.367 1.334 -11.527 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.421 2.382 -12.456 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.722 1.199 -10.075 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.175 0.010 -11.240 1.00 0.00 H new ATOM 0 HE ARG A 67 4.370 1.910 -11.561 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.960 -0.042 -13.283 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.937 -0.158 -14.750 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.615 1.738 -13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.995 0.845 -14.843 1.00 0.00 H new ATOM 1123 N THR A 68 1.404 4.333 -7.588 1.00 0.00 N ATOM 1124 CA THR A 68 1.276 5.499 -6.718 1.00 0.00 C ATOM 1125 C THR A 68 2.332 6.549 -7.057 1.00 0.00 C ATOM 1126 O THR A 68 3.528 6.332 -6.850 1.00 0.00 O ATOM 1127 CB THR A 68 1.397 5.090 -5.247 1.00 0.00 C ATOM 1128 OG1 THR A 68 0.414 4.133 -4.907 1.00 0.00 O ATOM 1129 CG2 THR A 68 1.254 6.250 -4.285 1.00 0.00 C ATOM 0 H THR A 68 2.361 4.002 -7.709 1.00 0.00 H new ATOM 0 HA THR A 68 0.290 5.933 -6.882 1.00 0.00 H new ATOM 0 HB THR A 68 2.401 4.678 -5.149 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.393 4.591 -4.590 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.350 5.888 -3.261 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.033 6.986 -4.484 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.276 6.713 -4.416 1.00 0.00 H new ATOM 1137 N PHE A 69 1.876 7.688 -7.574 1.00 0.00 N ATOM 1138 CA PHE A 69 2.767 8.786 -7.942 1.00 0.00 C ATOM 1139 C PHE A 69 2.037 10.126 -7.869 1.00 0.00 C ATOM 1140 O PHE A 69 2.517 11.066 -7.243 1.00 0.00 O ATOM 1141 CB PHE A 69 3.333 8.570 -9.350 1.00 0.00 C ATOM 1142 CG PHE A 69 4.649 9.264 -9.589 1.00 0.00 C ATOM 1143 CD1 PHE A 69 4.755 10.643 -9.486 1.00 0.00 C ATOM 1144 CD2 PHE A 69 5.777 8.534 -9.924 1.00 0.00 C ATOM 1145 CE1 PHE A 69 5.961 11.278 -9.710 1.00 0.00 C ATOM 1146 CE2 PHE A 69 6.986 9.163 -10.150 1.00 0.00 C ATOM 1147 CZ PHE A 69 7.077 10.537 -10.043 1.00 0.00 C ATOM 0 H PHE A 69 0.889 7.875 -7.748 1.00 0.00 H new ATOM 0 HA PHE A 69 3.593 8.804 -7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.460 7.501 -9.520 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.607 8.925 -10.082 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.884 11.227 -9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.711 7.459 -10.010 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.031 12.352 -9.625 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.858 8.582 -10.410 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.021 11.031 -10.220 1.00 0.00 H new ATOM 1157 N THR A 70 0.870 10.202 -8.514 1.00 0.00 N ATOM 1158 CA THR A 70 0.068 11.427 -8.516 1.00 0.00 C ATOM 1159 C THR A 70 -1.432 11.098 -8.485 1.00 0.00 C ATOM 1160 O THR A 70 -2.252 11.850 -9.017 1.00 0.00 O ATOM 1161 CB THR A 70 0.400 12.284 -9.747 1.00 0.00 C ATOM 1162 OG1 THR A 70 0.018 11.627 -10.945 1.00 0.00 O ATOM 1163 CG2 THR A 70 1.869 12.630 -9.866 1.00 0.00 C ATOM 0 H THR A 70 0.460 9.431 -9.041 1.00 0.00 H new ATOM 0 HA THR A 70 0.313 11.995 -7.618 1.00 0.00 H new ATOM 0 HB THR A 70 -0.164 13.206 -9.605 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.238 12.194 -11.713 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.029 13.236 -10.758 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.183 13.190 -8.985 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.454 11.713 -9.941 1.00 0.00 H new ATOM 1171 N ASP A 71 -1.780 9.968 -7.862 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.170 9.534 -7.766 1.00 0.00 C ATOM 1173 C ASP A 71 -3.586 9.330 -6.310 1.00 0.00 C ATOM 1174 O ASP A 71 -2.755 9.004 -5.460 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.372 8.235 -8.554 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.245 8.432 -9.778 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -3.842 9.201 -10.677 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -5.331 7.820 -9.838 1.00 0.00 O ATOM 0 H ASP A 71 -1.113 9.338 -7.416 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.798 10.316 -8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.402 7.845 -8.862 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.825 7.486 -7.905 1.00 0.00 H new ATOM 1183 N PRO A 72 -4.888 9.524 -6.005 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.427 9.364 -4.645 1.00 0.00 C ATOM 1185 C PRO A 72 -5.245 7.942 -4.107 1.00 0.00 C ATOM 1186 O PRO A 72 -4.928 7.022 -4.862 1.00 0.00 O ATOM 1187 CB PRO A 72 -6.920 9.684 -4.800 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.024 10.447 -6.076 1.00 0.00 C ATOM 1189 CD PRO A 72 -5.935 9.919 -6.964 1.00 0.00 C ATOM 0 HA PRO A 72 -4.912 10.010 -3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.517 8.773 -4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.287 10.272 -3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.003 10.308 -6.535 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.902 11.516 -5.902 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.276 9.073 -7.561 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.579 10.678 -7.661 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.448 7.750 -2.785 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.311 6.436 -2.134 1.00 0.00 C ATOM 1199 C PRO A 73 -6.305 5.404 -2.672 1.00 0.00 C ATOM 1200 O PRO A 73 -7.022 5.664 -3.641 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.597 6.731 -0.654 1.00 0.00 C ATOM 1202 CG PRO A 73 -5.422 8.202 -0.503 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.824 8.798 -1.821 1.00 0.00 C ATOM 0 HA PRO A 73 -4.328 6.002 -2.314 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.607 6.425 -0.381 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.912 6.185 -0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.041 8.589 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.389 8.450 -0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.891 9.016 -1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.301 9.734 -2.017 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.343 4.227 -2.039 1.00 0.00 N ATOM 1212 CA PHE A 74 -7.246 3.158 -2.463 1.00 0.00 C ATOM 1213 C PHE A 74 -7.793 2.371 -1.270 1.00 0.00 C ATOM 1214 O PHE A 74 -7.229 2.408 -0.175 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.522 2.211 -3.424 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.812 2.491 -4.871 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -7.920 1.935 -5.489 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -5.977 3.313 -5.612 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -8.191 2.193 -6.820 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -6.243 3.575 -6.942 1.00 0.00 C ATOM 1221 CZ PHE A 74 -7.351 3.013 -7.547 1.00 0.00 C ATOM 0 H PHE A 74 -5.761 3.993 -1.235 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.091 3.621 -2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.448 2.286 -3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.809 1.185 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.580 1.293 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.109 3.753 -5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.058 1.754 -7.290 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.586 4.218 -7.508 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.560 3.215 -8.587 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.900 1.654 -1.504 1.00 0.00 N ATOM 1232 CA ARG A 75 -9.546 0.844 -0.470 1.00 0.00 C ATOM 1233 C ARG A 75 -10.627 -0.054 -1.083 1.00 0.00 C ATOM 1234 O ARG A 75 -11.769 0.370 -1.269 1.00 0.00 O ATOM 1235 CB ARG A 75 -10.160 1.741 0.610 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.378 1.030 1.937 1.00 0.00 C ATOM 1237 CD ARG A 75 -9.631 1.719 3.070 1.00 0.00 C ATOM 1238 NE ARG A 75 -10.503 2.026 4.202 1.00 0.00 N ATOM 1239 CZ ARG A 75 -10.196 2.900 5.164 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -9.032 3.548 5.146 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -11.055 3.124 6.151 1.00 0.00 N ATOM 0 H ARG A 75 -9.368 1.621 -2.410 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.786 0.212 -0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.509 2.601 0.770 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.115 2.126 0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.443 1.004 2.166 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.044 -0.004 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.815 1.080 3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.182 2.641 2.699 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.400 1.544 4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.366 3.379 4.393 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.807 4.214 5.886 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.947 2.629 6.173 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.823 3.791 6.887 1.00 0.00 H new ATOM 1255 N ILE A 76 -10.255 -1.294 -1.396 1.00 0.00 N ATOM 1256 CA ILE A 76 -11.185 -2.253 -1.985 1.00 0.00 C ATOM 1257 C ILE A 76 -11.476 -3.396 -1.014 1.00 0.00 C ATOM 1258 O ILE A 76 -10.599 -4.216 -0.726 1.00 0.00 O ATOM 1259 CB ILE A 76 -10.638 -2.838 -3.308 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -10.126 -1.716 -4.218 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -11.717 -3.652 -4.014 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -8.632 -1.494 -4.123 1.00 0.00 C ATOM 0 H ILE A 76 -9.313 -1.658 -1.251 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.107 -1.712 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.803 -3.500 -3.077 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.385 -1.950 -5.251 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.640 -0.789 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.317 -4.057 -4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.036 -4.471 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.570 -3.011 -4.235 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.341 -0.686 -4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.368 -1.229 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.110 -2.407 -4.407 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.709 -3.445 -0.510 1.00 0.00 N ATOM 1275 CA GLU A 77 -13.107 -4.487 0.431 1.00 0.00 C ATOM 1276 C GLU A 77 -14.438 -5.117 0.021 1.00 0.00 C ATOM 1277 O GLU A 77 -15.436 -4.417 -0.156 1.00 0.00 O ATOM 1278 CB GLU A 77 -13.193 -3.916 1.851 1.00 0.00 C ATOM 1279 CG GLU A 77 -14.267 -2.846 2.040 1.00 0.00 C ATOM 1280 CD GLU A 77 -13.802 -1.678 2.897 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -13.033 -1.906 3.857 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -14.209 -0.533 2.610 1.00 0.00 O ATOM 0 H GLU A 77 -13.446 -2.777 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.348 -5.269 0.416 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.386 -4.733 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.225 -3.492 2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.575 -2.472 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.146 -3.299 2.499 1.00 0.00 H new ATOM 1289 N GLU A 78 -14.440 -6.443 -0.136 1.00 0.00 N ATOM 1290 CA GLU A 78 -15.648 -7.165 -0.534 1.00 0.00 C ATOM 1291 C GLU A 78 -15.626 -8.617 -0.048 1.00 0.00 C ATOM 1292 O GLU A 78 -14.595 -9.119 0.402 1.00 0.00 O ATOM 1293 CB GLU A 78 -15.793 -7.128 -2.060 1.00 0.00 C ATOM 1294 CG GLU A 78 -17.236 -7.043 -2.535 1.00 0.00 C ATOM 1295 CD GLU A 78 -17.963 -5.830 -1.983 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -17.534 -4.695 -2.272 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -18.964 -6.018 -1.263 1.00 0.00 O ATOM 0 H GLU A 78 -13.622 -7.035 0.006 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.502 -6.672 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.241 -6.272 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.333 -8.022 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.254 -7.008 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.767 -7.947 -2.236 1.00 0.00 H new ATOM 1304 N GLN A 79 -16.779 -9.285 -0.146 1.00 0.00 N ATOM 1305 CA GLN A 79 -16.906 -10.679 0.276 1.00 0.00 C ATOM 1306 C GLN A 79 -17.154 -11.594 -0.924 1.00 0.00 C ATOM 1307 O GLN A 79 -17.761 -11.184 -1.918 1.00 0.00 O ATOM 1308 CB GLN A 79 -18.045 -10.825 1.289 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.056 -12.163 2.015 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.419 -12.508 2.585 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -20.207 -13.213 1.955 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -19.707 -12.012 3.783 1.00 0.00 N ATOM 0 H GLN A 79 -17.639 -8.880 -0.515 1.00 0.00 H new ATOM 0 HA GLN A 79 -15.969 -10.976 0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -17.969 -10.024 2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -18.996 -10.695 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.745 -12.948 1.326 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -17.324 -12.140 2.822 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -19.025 -11.432 4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.610 -12.211 4.214 1.00 0.00 H new ATOM 1321 N GLY A 80 -16.678 -12.836 -0.821 1.00 0.00 N ATOM 1322 CA GLY A 80 -16.846 -13.803 -1.893 1.00 0.00 C ATOM 1323 C GLY A 80 -15.592 -14.617 -2.133 1.00 0.00 C ATOM 1324 O GLY A 80 -15.183 -15.398 -1.274 1.00 0.00 O ATOM 0 H GLY A 80 -16.176 -13.190 -0.007 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.671 -14.473 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.119 -13.282 -2.810 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.983 -14.435 -3.300 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.763 -15.156 -3.648 1.00 0.00 C ATOM 1330 C TRP A 81 -12.663 -14.182 -4.057 1.00 0.00 C ATOM 1331 O TRP A 81 -12.736 -13.555 -5.115 1.00 0.00 O ATOM 1332 CB TRP A 81 -14.036 -16.148 -4.781 1.00 0.00 C ATOM 1333 CG TRP A 81 -14.714 -17.402 -4.322 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -15.927 -17.498 -3.703 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -14.219 -18.741 -4.442 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -16.218 -18.813 -3.434 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -15.187 -19.595 -3.880 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -13.054 -19.301 -4.977 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -15.021 -20.977 -3.832 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -12.893 -20.673 -4.929 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -13.874 -21.498 -4.363 1.00 0.00 C ATOM 0 H TRP A 81 -15.314 -13.794 -4.021 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.429 -15.709 -2.770 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -14.655 -15.664 -5.536 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -13.093 -16.408 -5.261 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.565 -16.661 -3.460 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -17.064 -19.152 -2.976 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -12.295 -18.673 -5.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -15.772 -21.615 -3.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.996 -21.117 -5.335 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -13.721 -22.567 -4.346 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.647 -14.061 -3.207 1.00 0.00 N ATOM 1353 CA GLY A 82 -10.542 -13.160 -3.487 1.00 0.00 C ATOM 1354 C GLY A 82 -9.320 -13.451 -2.636 1.00 0.00 C ATOM 1355 O GLY A 82 -9.049 -12.736 -1.669 1.00 0.00 O ATOM 0 H GLY A 82 -11.569 -14.572 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.273 -13.238 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.863 -12.133 -3.315 1.00 0.00 H new ATOM 1359 N GLY A 83 -8.582 -14.502 -2.996 1.00 0.00 N ATOM 1360 CA GLY A 83 -7.394 -14.869 -2.246 1.00 0.00 C ATOM 1361 C GLY A 83 -6.180 -15.071 -3.131 1.00 0.00 C ATOM 1362 O GLY A 83 -6.085 -16.075 -3.838 1.00 0.00 O ATOM 0 H GLY A 83 -8.787 -15.104 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.178 -14.092 -1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.590 -15.786 -1.690 1.00 0.00 H new ATOM 1366 N PHE A 84 -5.249 -14.114 -3.086 1.00 0.00 N ATOM 1367 CA PHE A 84 -4.026 -14.183 -3.887 1.00 0.00 C ATOM 1368 C PHE A 84 -2.927 -13.303 -3.281 1.00 0.00 C ATOM 1369 O PHE A 84 -3.191 -12.497 -2.385 1.00 0.00 O ATOM 1370 CB PHE A 84 -4.317 -13.755 -5.330 1.00 0.00 C ATOM 1371 CG PHE A 84 -4.712 -14.891 -6.233 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -3.868 -15.975 -6.424 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -5.930 -14.873 -6.894 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -4.230 -17.017 -7.255 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -6.298 -15.914 -7.727 1.00 0.00 C ATOM 1376 CZ PHE A 84 -5.448 -16.986 -7.908 1.00 0.00 C ATOM 0 H PHE A 84 -5.320 -13.281 -2.502 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.673 -15.214 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.115 -13.013 -5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.432 -13.268 -5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.915 -16.005 -5.916 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.599 -14.037 -6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.563 -17.855 -7.394 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.250 -15.888 -8.236 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.734 -17.799 -8.559 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.672 -13.455 -3.755 1.00 0.00 N ATOM 1387 CA PRO A 85 -0.526 -12.681 -3.249 1.00 0.00 C ATOM 1388 C PRO A 85 -0.596 -11.191 -3.584 1.00 0.00 C ATOM 1389 O PRO A 85 -1.415 -10.762 -4.396 1.00 0.00 O ATOM 1390 CB PRO A 85 0.673 -13.321 -3.951 1.00 0.00 C ATOM 1391 CG PRO A 85 0.110 -13.944 -5.180 1.00 0.00 C ATOM 1392 CD PRO A 85 -1.269 -14.404 -4.810 1.00 0.00 C ATOM 0 HA PRO A 85 -0.483 -12.714 -2.160 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.430 -12.577 -4.197 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.152 -14.065 -3.315 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.076 -13.228 -6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 85 0.725 -14.780 -5.512 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.947 -14.369 -5.663 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.266 -15.432 -4.447 1.00 0.00 H new ATOM 1400 N LEU A 86 0.282 -10.414 -2.947 1.00 0.00 N ATOM 1401 CA LEU A 86 0.347 -8.970 -3.156 1.00 0.00 C ATOM 1402 C LEU A 86 1.773 -8.461 -2.938 1.00 0.00 C ATOM 1403 O LEU A 86 2.572 -9.108 -2.259 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.621 -8.252 -2.208 1.00 0.00 C ATOM 1405 CG LEU A 86 -0.388 -8.508 -0.715 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -0.517 -7.213 0.075 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.365 -9.554 -0.192 1.00 0.00 C ATOM 0 H LEU A 86 0.964 -10.767 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 86 0.055 -8.756 -4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.553 -7.180 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.638 -8.554 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 86 0.625 -8.890 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.348 -7.414 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.222 -6.495 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.517 -6.802 -0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.184 -9.722 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.386 -9.201 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.224 -10.488 -0.736 1.00 0.00 H new ATOM 1419 N ASP A 87 2.086 -7.303 -3.518 1.00 0.00 N ATOM 1420 CA ASP A 87 3.415 -6.711 -3.381 1.00 0.00 C ATOM 1421 C ASP A 87 3.347 -5.188 -3.460 1.00 0.00 C ATOM 1422 O ASP A 87 2.656 -4.635 -4.315 1.00 0.00 O ATOM 1423 CB ASP A 87 4.356 -7.245 -4.468 1.00 0.00 C ATOM 1424 CG ASP A 87 5.780 -6.749 -4.297 1.00 0.00 C ATOM 1425 OD1 ASP A 87 6.551 -7.397 -3.561 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.123 -5.707 -4.898 1.00 0.00 O ATOM 0 H ASP A 87 1.438 -6.757 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 87 3.805 -6.991 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.349 -8.335 -4.447 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.984 -6.943 -5.447 1.00 0.00 H new ATOM 1431 N ILE A 88 4.074 -4.519 -2.570 1.00 0.00 N ATOM 1432 CA ILE A 88 4.100 -3.059 -2.548 1.00 0.00 C ATOM 1433 C ILE A 88 5.531 -2.540 -2.619 1.00 0.00 C ATOM 1434 O ILE A 88 6.428 -3.094 -1.986 1.00 0.00 O ATOM 1435 CB ILE A 88 3.417 -2.492 -1.284 1.00 0.00 C ATOM 1436 CG1 ILE A 88 3.965 -3.170 -0.024 1.00 0.00 C ATOM 1437 CG2 ILE A 88 1.907 -2.667 -1.374 1.00 0.00 C ATOM 1438 CD1 ILE A 88 4.166 -2.222 1.137 1.00 0.00 C ATOM 0 H ILE A 88 4.652 -4.963 -1.856 1.00 0.00 H new ATOM 0 HA ILE A 88 3.546 -2.721 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 88 3.638 -1.427 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.280 -3.962 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.916 -3.646 -0.262 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.440 -2.263 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.531 -2.137 -2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.668 -3.727 -1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.556 -2.773 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.875 -1.444 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.213 -1.765 1.403 1.00 0.00 H new ATOM 1450 N SER A 89 5.739 -1.476 -3.396 1.00 0.00 N ATOM 1451 CA SER A 89 7.067 -0.885 -3.549 1.00 0.00 C ATOM 1452 C SER A 89 7.023 0.622 -3.326 1.00 0.00 C ATOM 1453 O SER A 89 6.029 1.280 -3.644 1.00 0.00 O ATOM 1454 CB SER A 89 7.629 -1.191 -4.937 1.00 0.00 C ATOM 1455 OG SER A 89 6.789 -0.675 -5.954 1.00 0.00 O ATOM 0 H SER A 89 5.006 -1.007 -3.928 1.00 0.00 H new ATOM 0 HA SER A 89 7.720 -1.325 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.626 -0.761 -5.032 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.734 -2.269 -5.060 1.00 0.00 H new ATOM 0 HG SER A 89 7.298 -0.591 -6.787 1.00 0.00 H new ATOM 1461 N VAL A 90 8.105 1.163 -2.771 1.00 0.00 N ATOM 1462 CA VAL A 90 8.193 2.592 -2.495 1.00 0.00 C ATOM 1463 C VAL A 90 9.571 3.139 -2.860 1.00 0.00 C ATOM 1464 O VAL A 90 10.576 2.441 -2.734 1.00 0.00 O ATOM 1465 CB VAL A 90 7.906 2.889 -1.007 1.00 0.00 C ATOM 1466 CG1 VAL A 90 7.870 4.390 -0.745 1.00 0.00 C ATOM 1467 CG2 VAL A 90 6.599 2.236 -0.578 1.00 0.00 C ATOM 0 H VAL A 90 8.933 0.631 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 90 7.440 3.085 -3.109 1.00 0.00 H new ATOM 0 HB VAL A 90 8.716 2.466 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.666 4.570 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.832 4.829 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.086 4.846 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 90 6.411 2.455 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.781 2.628 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.668 1.157 -0.717 1.00 0.00 H new ATOM 1477 N PHE A 91 9.600 4.396 -3.307 1.00 0.00 N ATOM 1478 CA PHE A 91 10.843 5.065 -3.685 1.00 0.00 C ATOM 1479 C PHE A 91 10.676 6.577 -3.566 1.00 0.00 C ATOM 1480 O PHE A 91 9.595 7.109 -3.823 1.00 0.00 O ATOM 1481 CB PHE A 91 11.259 4.697 -5.117 1.00 0.00 C ATOM 1482 CG PHE A 91 11.661 3.258 -5.292 1.00 0.00 C ATOM 1483 CD1 PHE A 91 12.965 2.854 -5.052 1.00 0.00 C ATOM 1484 CD2 PHE A 91 10.736 2.310 -5.702 1.00 0.00 C ATOM 1485 CE1 PHE A 91 13.337 1.534 -5.214 1.00 0.00 C ATOM 1486 CE2 PHE A 91 11.103 0.989 -5.867 1.00 0.00 C ATOM 1487 CZ PHE A 91 12.406 0.599 -5.623 1.00 0.00 C ATOM 0 H PHE A 91 8.767 4.975 -3.416 1.00 0.00 H new ATOM 0 HA PHE A 91 11.628 4.731 -3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 91 10.431 4.916 -5.791 1.00 0.00 H new ATOM 0 HB3 PHE A 91 12.091 5.334 -5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 91 13.699 3.580 -4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 91 9.716 2.608 -5.895 1.00 0.00 H new ATOM 0 HE1 PHE A 91 14.356 1.233 -5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 91 10.372 0.261 -6.187 1.00 0.00 H new ATOM 0 HZ PHE A 91 12.696 -0.433 -5.752 1.00 0.00 H new ATOM 1497 N LEU A 92 11.739 7.266 -3.168 1.00 0.00 N ATOM 1498 CA LEU A 92 11.693 8.717 -3.007 1.00 0.00 C ATOM 1499 C LEU A 92 12.917 9.388 -3.631 1.00 0.00 C ATOM 1500 O LEU A 92 12.784 10.336 -4.406 1.00 0.00 O ATOM 1501 CB LEU A 92 11.588 9.077 -1.524 1.00 0.00 C ATOM 1502 CG LEU A 92 11.130 10.506 -1.224 1.00 0.00 C ATOM 1503 CD1 LEU A 92 9.691 10.713 -1.672 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.281 10.802 0.261 1.00 0.00 C ATOM 0 H LEU A 92 12.643 6.846 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 92 10.810 9.086 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.894 8.384 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.562 8.921 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 92 11.759 11.199 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.384 11.735 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.615 10.536 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 92 9.041 10.016 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.952 11.821 0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.672 10.103 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.327 10.694 0.549 1.00 0.00 H new ATOM 1516 N LEU A 93 14.106 8.891 -3.291 1.00 0.00 N ATOM 1517 CA LEU A 93 15.349 9.441 -3.820 1.00 0.00 C ATOM 1518 C LEU A 93 16.498 8.448 -3.651 1.00 0.00 C ATOM 1519 O LEU A 93 17.075 7.983 -4.632 1.00 0.00 O ATOM 1520 CB LEU A 93 15.693 10.763 -3.125 1.00 0.00 C ATOM 1521 CG LEU A 93 15.386 12.022 -3.940 1.00 0.00 C ATOM 1522 CD1 LEU A 93 14.714 13.078 -3.074 1.00 0.00 C ATOM 1523 CD2 LEU A 93 16.658 12.575 -4.570 1.00 0.00 C ATOM 0 H LEU A 93 14.232 8.107 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 93 15.206 9.630 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.145 10.815 -2.184 1.00 0.00 H new ATOM 0 HB3 LEU A 93 16.754 10.760 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 93 14.696 11.750 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.506 13.963 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.780 12.682 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 93 15.374 13.347 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.420 13.470 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 93 17.372 12.827 -3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 93 17.093 11.824 -5.230 1.00 0.00 H new ATOM 1535 N GLU A 94 16.816 8.130 -2.393 1.00 0.00 N ATOM 1536 CA GLU A 94 17.890 7.189 -2.072 1.00 0.00 C ATOM 1537 C GLU A 94 18.011 7.018 -0.556 1.00 0.00 C ATOM 1538 O GLU A 94 19.114 7.001 -0.003 1.00 0.00 O ATOM 1539 CB GLU A 94 19.222 7.675 -2.654 1.00 0.00 C ATOM 1540 CG GLU A 94 20.218 6.557 -2.912 1.00 0.00 C ATOM 1541 CD GLU A 94 21.384 7.008 -3.770 1.00 0.00 C ATOM 1542 OE1 GLU A 94 22.351 7.562 -3.210 1.00 0.00 O ATOM 1543 OE2 GLU A 94 21.324 6.812 -5.001 1.00 0.00 O ATOM 0 H GLU A 94 16.341 8.514 -1.576 1.00 0.00 H new ATOM 0 HA GLU A 94 17.646 6.224 -2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.030 8.202 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.667 8.396 -1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 94 20.594 6.183 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.709 5.727 -3.402 1.00 0.00 H new ATOM 1550 N LYS A 95 16.862 6.901 0.109 1.00 0.00 N ATOM 1551 CA LYS A 95 16.819 6.741 1.559 1.00 0.00 C ATOM 1552 C LYS A 95 16.276 5.363 1.941 1.00 0.00 C ATOM 1553 O LYS A 95 16.224 4.458 1.110 1.00 0.00 O ATOM 1554 CB LYS A 95 15.968 7.857 2.183 1.00 0.00 C ATOM 1555 CG LYS A 95 14.520 7.878 1.711 1.00 0.00 C ATOM 1556 CD LYS A 95 14.052 9.291 1.403 1.00 0.00 C ATOM 1557 CE LYS A 95 13.692 10.051 2.674 1.00 0.00 C ATOM 1558 NZ LYS A 95 14.825 10.882 3.170 1.00 0.00 N ATOM 0 H LYS A 95 15.945 6.914 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 95 17.834 6.816 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.983 7.746 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.427 8.819 1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.418 7.258 0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 95 13.880 7.441 2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 95 14.836 9.826 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.185 9.252 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 95 12.831 10.691 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.396 9.343 3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 14.759 10.977 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.726 10.425 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.782 11.824 2.732 1.00 0.00 H new ATOM 1572 N ALA A 96 15.874 5.211 3.202 1.00 0.00 N ATOM 1573 CA ALA A 96 15.338 3.942 3.695 1.00 0.00 C ATOM 1574 C ALA A 96 13.868 3.760 3.306 1.00 0.00 C ATOM 1575 O ALA A 96 13.390 2.629 3.189 1.00 0.00 O ATOM 1576 CB ALA A 96 15.497 3.850 5.204 1.00 0.00 C ATOM 0 H ALA A 96 15.909 5.952 3.902 1.00 0.00 H new ATOM 0 HA ALA A 96 15.908 3.140 3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.093 2.900 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 96 16.554 3.913 5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 96 14.958 4.671 5.677 1.00 0.00 H new ATOM 1582 N GLY A 97 13.159 4.877 3.106 1.00 0.00 N ATOM 1583 CA GLY A 97 11.755 4.820 2.730 1.00 0.00 C ATOM 1584 C GLY A 97 11.519 4.001 1.473 1.00 0.00 C ATOM 1585 O GLY A 97 10.485 3.342 1.345 1.00 0.00 O ATOM 0 H GLY A 97 13.536 5.820 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.180 4.392 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.383 5.833 2.574 1.00 0.00 H new ATOM 1589 N GLU A 98 12.483 4.038 0.548 1.00 0.00 N ATOM 1590 CA GLU A 98 12.380 3.286 -0.699 1.00 0.00 C ATOM 1591 C GLU A 98 12.537 1.782 -0.439 1.00 0.00 C ATOM 1592 O GLU A 98 13.630 1.225 -0.554 1.00 0.00 O ATOM 1593 CB GLU A 98 13.426 3.776 -1.712 1.00 0.00 C ATOM 1594 CG GLU A 98 14.869 3.642 -1.243 1.00 0.00 C ATOM 1595 CD GLU A 98 15.749 2.921 -2.247 1.00 0.00 C ATOM 1596 OE1 GLU A 98 16.110 3.537 -3.271 1.00 0.00 O ATOM 1597 OE2 GLU A 98 16.079 1.740 -2.010 1.00 0.00 O ATOM 0 H GLU A 98 13.341 4.581 0.642 1.00 0.00 H new ATOM 0 HA GLU A 98 11.390 3.456 -1.122 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.305 3.217 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.228 4.823 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.279 4.634 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.890 3.103 -0.296 1.00 0.00 H new ATOM 1604 N ARG A 99 11.434 1.134 -0.068 1.00 0.00 N ATOM 1605 CA ARG A 99 11.446 -0.296 0.223 1.00 0.00 C ATOM 1606 C ARG A 99 10.168 -0.974 -0.268 1.00 0.00 C ATOM 1607 O ARG A 99 9.107 -0.345 -0.335 1.00 0.00 O ATOM 1608 CB ARG A 99 11.608 -0.521 1.731 1.00 0.00 C ATOM 1609 CG ARG A 99 11.942 -1.955 2.104 1.00 0.00 C ATOM 1610 CD ARG A 99 13.365 -2.314 1.711 1.00 0.00 C ATOM 1611 NE ARG A 99 13.511 -3.740 1.430 1.00 0.00 N ATOM 1612 CZ ARG A 99 14.680 -4.387 1.429 1.00 0.00 C ATOM 1613 NH1 ARG A 99 15.814 -3.737 1.689 1.00 0.00 N ATOM 1614 NH2 ARG A 99 14.714 -5.688 1.166 1.00 0.00 N ATOM 0 H ARG A 99 10.522 1.578 0.038 1.00 0.00 H new ATOM 0 HA ARG A 99 12.290 -0.740 -0.305 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.395 0.134 2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.686 -0.230 2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 99 11.814 -2.092 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 99 11.245 -2.632 1.611 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.654 -1.739 0.831 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.045 -2.031 2.514 1.00 0.00 H new ATOM 0 HE ARG A 99 12.668 -4.275 1.222 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.794 -2.737 1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.702 -4.239 1.686 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.849 -6.191 0.965 1.00 0.00 H new ATOM 0 HH22 ARG A 99 15.605 -6.185 1.164 1.00 0.00 H new ATOM 1628 N LYS A 100 10.278 -2.262 -0.598 1.00 0.00 N ATOM 1629 CA LYS A 100 9.135 -3.044 -1.070 1.00 0.00 C ATOM 1630 C LYS A 100 8.896 -4.250 -0.159 1.00 0.00 C ATOM 1631 O LYS A 100 9.850 -4.855 0.339 1.00 0.00 O ATOM 1632 CB LYS A 100 9.359 -3.515 -2.511 1.00 0.00 C ATOM 1633 CG LYS A 100 10.690 -4.224 -2.724 1.00 0.00 C ATOM 1634 CD LYS A 100 10.799 -4.810 -4.122 1.00 0.00 C ATOM 1635 CE LYS A 100 11.438 -3.827 -5.092 1.00 0.00 C ATOM 1636 NZ LYS A 100 12.292 -4.514 -6.101 1.00 0.00 N ATOM 0 H LYS A 100 11.151 -2.787 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 100 8.254 -2.403 -1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.550 -4.188 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.305 -2.654 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.507 -3.521 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.801 -5.019 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.390 -5.725 -4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 100 9.807 -5.084 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.658 -3.262 -5.602 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.040 -3.109 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.708 -3.808 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.052 -5.033 -5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.713 -5.181 -6.650 1.00 0.00 H new ATOM 1650 N ILE A 101 7.624 -4.595 0.063 1.00 0.00 N ATOM 1651 CA ILE A 101 7.277 -5.727 0.924 1.00 0.00 C ATOM 1652 C ILE A 101 6.128 -6.556 0.339 1.00 0.00 C ATOM 1653 O ILE A 101 5.031 -6.038 0.117 1.00 0.00 O ATOM 1654 CB ILE A 101 6.881 -5.263 2.345 1.00 0.00 C ATOM 1655 CG1 ILE A 101 7.899 -4.260 2.894 1.00 0.00 C ATOM 1656 CG2 ILE A 101 6.755 -6.458 3.282 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.527 -2.816 2.634 1.00 0.00 C ATOM 0 H ILE A 101 6.823 -4.109 -0.339 1.00 0.00 H new ATOM 0 HA ILE A 101 8.172 -6.347 0.983 1.00 0.00 H new ATOM 0 HB ILE A 101 5.912 -4.767 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.003 -4.412 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.873 -4.462 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.476 -6.112 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.989 -7.136 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.710 -6.982 3.334 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.293 -2.162 3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.451 -2.648 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.568 -2.597 3.104 1.00 0.00 H new ATOM 1669 N PRO A 102 6.372 -7.859 0.083 1.00 0.00 N ATOM 1670 CA PRO A 102 5.369 -8.769 -0.467 1.00 0.00 C ATOM 1671 C PRO A 102 4.564 -9.487 0.620 1.00 0.00 C ATOM 1672 O PRO A 102 5.067 -9.724 1.723 1.00 0.00 O ATOM 1673 CB PRO A 102 6.230 -9.760 -1.240 1.00 0.00 C ATOM 1674 CG PRO A 102 7.501 -9.854 -0.457 1.00 0.00 C ATOM 1675 CD PRO A 102 7.654 -8.554 0.305 1.00 0.00 C ATOM 0 HA PRO A 102 4.618 -8.255 -1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.741 -10.731 -1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.416 -9.413 -2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.469 -10.701 0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.351 -10.013 -1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 102 7.834 -8.731 1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.495 -7.969 -0.068 1.00 0.00 H new ATOM 1683 N HIS A 103 3.315 -9.831 0.301 1.00 0.00 N ATOM 1684 CA HIS A 103 2.434 -10.524 1.244 1.00 0.00 C ATOM 1685 C HIS A 103 1.539 -11.534 0.522 1.00 0.00 C ATOM 1686 O HIS A 103 1.429 -11.516 -0.706 1.00 0.00 O ATOM 1687 CB HIS A 103 1.562 -9.515 2.002 1.00 0.00 C ATOM 1688 CG HIS A 103 2.340 -8.526 2.813 1.00 0.00 C ATOM 1689 ND1 HIS A 103 2.471 -8.614 4.183 1.00 0.00 N ATOM 1690 CD2 HIS A 103 3.026 -7.421 2.440 1.00 0.00 C ATOM 1691 CE1 HIS A 103 3.206 -7.603 4.616 1.00 0.00 C ATOM 1692 NE2 HIS A 103 3.553 -6.867 3.578 1.00 0.00 N ATOM 0 H HIS A 103 2.889 -9.640 -0.606 1.00 0.00 H new ATOM 0 HA HIS A 103 3.064 -11.061 1.953 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.943 -8.975 1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.886 -10.058 2.662 1.00 0.00 H new ATOM 0 HD1 HIS A 103 2.065 -9.343 4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.138 -7.045 1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 103 3.476 -7.413 5.644 1.00 0.00 H new ATOM 1701 N ASP A 104 0.896 -12.410 1.298 1.00 0.00 N ATOM 1702 CA ASP A 104 0.003 -13.427 0.743 1.00 0.00 C ATOM 1703 C ASP A 104 -1.374 -13.355 1.398 1.00 0.00 C ATOM 1704 O ASP A 104 -1.481 -13.335 2.624 1.00 0.00 O ATOM 1705 CB ASP A 104 0.599 -14.824 0.939 1.00 0.00 C ATOM 1706 CG ASP A 104 1.863 -15.036 0.128 1.00 0.00 C ATOM 1707 OD1 ASP A 104 1.792 -14.956 -1.117 1.00 0.00 O ATOM 1708 OD2 ASP A 104 2.924 -15.280 0.739 1.00 0.00 O ATOM 0 H ASP A 104 0.978 -12.434 2.314 1.00 0.00 H new ATOM 0 HA ASP A 104 -0.108 -13.234 -0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 104 0.819 -14.976 1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.140 -15.574 0.656 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.424 -13.317 0.576 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.793 -13.245 1.082 1.00 0.00 C ATOM 1715 C LEU A 105 -4.547 -14.548 0.831 1.00 0.00 C ATOM 1716 O LEU A 105 -5.001 -14.809 -0.284 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.541 -12.074 0.437 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.288 -11.162 1.412 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -6.134 -10.153 0.654 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.158 -11.980 2.356 1.00 0.00 C ATOM 0 H LEU A 105 -2.351 -13.335 -0.441 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.740 -13.085 2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.826 -11.472 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.256 -12.473 -0.283 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.551 -10.622 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.659 -9.512 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.491 -9.542 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -6.860 -10.679 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.680 -11.312 3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.886 -12.549 1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.531 -12.666 2.926 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.681 -15.359 1.881 1.00 0.00 N ATOM 1733 CA ASN A 106 -5.388 -16.640 1.784 1.00 0.00 C ATOM 1734 C ASN A 106 -5.456 -17.341 3.143 1.00 0.00 C ATOM 1735 O ASN A 106 -5.194 -18.542 3.245 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.704 -17.552 0.755 1.00 0.00 C ATOM 1737 CG ASN A 106 -5.665 -18.552 0.141 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -6.766 -18.056 -0.421 1.00 0.00 O flip ATOM 1739 ND2 ASN A 106 -5.426 -19.758 0.170 1.00 0.00 N flip ATOM 0 H ASN A 106 -4.310 -15.153 2.809 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.407 -16.434 1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.266 -16.941 -0.034 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.885 -18.087 1.235 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.571 -20.098 0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.083 -20.418 -0.246 1.00 0.00 H new ATOM 1746 N PHE A 107 -5.808 -16.589 4.187 1.00 0.00 N ATOM 1747 CA PHE A 107 -5.901 -17.145 5.534 1.00 0.00 C ATOM 1748 C PHE A 107 -7.085 -16.560 6.294 1.00 0.00 C ATOM 1749 O PHE A 107 -7.240 -15.339 6.373 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.607 -16.884 6.311 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.382 -17.474 5.669 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -2.708 -16.789 4.668 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -2.907 -18.715 6.062 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -1.585 -17.331 4.075 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -1.784 -19.261 5.473 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.122 -18.569 4.477 1.00 0.00 C ATOM 0 H PHE A 107 -6.032 -15.596 4.124 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.052 -18.220 5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.468 -15.808 6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.710 -17.291 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.066 -15.821 4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.421 -19.262 6.838 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.069 -16.787 3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.423 -20.228 5.791 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.244 -18.995 4.014 1.00 0.00 H new ATOM 1766 N LEU A 108 -7.916 -17.436 6.862 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.079 -17.004 7.627 1.00 0.00 C ATOM 1768 C LEU A 108 -8.647 -16.145 8.813 1.00 0.00 C ATOM 1769 O LEU A 108 -7.713 -16.498 9.540 1.00 0.00 O ATOM 1770 CB LEU A 108 -9.889 -18.213 8.113 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.203 -19.077 9.179 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -9.658 -18.671 10.574 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -9.486 -20.551 8.930 1.00 0.00 C ATOM 0 H LEU A 108 -7.802 -18.448 6.805 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.714 -16.405 6.974 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.838 -17.856 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.122 -18.842 7.254 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.127 -18.917 9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.160 -19.296 11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -9.403 -17.626 10.750 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.737 -18.800 10.657 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.992 -21.151 9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.561 -20.727 8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.108 -20.833 7.947 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.319 -15.011 8.989 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.011 -14.081 10.073 1.00 0.00 C ATOM 1787 C GLN A 109 -7.654 -13.409 9.845 1.00 0.00 C ATOM 1788 O GLN A 109 -6.843 -13.280 10.765 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.033 -14.805 11.427 1.00 0.00 C ATOM 1790 CG GLN A 109 -10.048 -14.233 12.404 1.00 0.00 C ATOM 1791 CD GLN A 109 -10.556 -15.267 13.390 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -10.232 -15.218 14.577 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -11.356 -16.211 12.906 1.00 0.00 N ATOM 0 H GLN A 109 -10.088 -14.711 8.389 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.777 -13.306 10.083 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -9.253 -15.860 11.263 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.040 -14.753 11.874 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.594 -13.407 12.951 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.891 -13.822 11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.599 -16.215 11.915 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -11.727 -16.932 13.525 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.419 -12.969 8.606 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.175 -12.305 8.253 1.00 0.00 C ATOM 1804 C GLU A 110 -6.182 -10.865 8.736 1.00 0.00 C ATOM 1805 O GLU A 110 -7.171 -10.145 8.571 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.942 -12.330 6.743 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.618 -11.705 6.329 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.789 -12.617 5.449 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.336 -13.671 5.942 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -3.593 -12.277 4.266 1.00 0.00 O ATOM 0 H GLU A 110 -8.079 -13.064 7.834 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.366 -12.848 8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.974 -13.362 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.756 -11.801 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.812 -10.773 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.046 -11.451 7.222 1.00 0.00 H new ATOM 1817 N SER A 111 -5.066 -10.458 9.324 1.00 0.00 N ATOM 1818 CA SER A 111 -4.902 -9.109 9.838 1.00 0.00 C ATOM 1819 C SER A 111 -3.448 -8.670 9.679 1.00 0.00 C ATOM 1820 O SER A 111 -2.768 -8.344 10.655 1.00 0.00 O ATOM 1821 CB SER A 111 -5.336 -9.053 11.305 1.00 0.00 C ATOM 1822 OG SER A 111 -5.605 -7.723 11.714 1.00 0.00 O ATOM 0 H SER A 111 -4.250 -11.055 9.457 1.00 0.00 H new ATOM 0 HA SER A 111 -5.532 -8.424 9.271 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.226 -9.666 11.446 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.554 -9.478 11.934 1.00 0.00 H new ATOM 0 HG SER A 111 -5.881 -7.719 12.654 1.00 0.00 H new ATOM 1828 N TYR A 112 -2.980 -8.674 8.431 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.614 -8.287 8.117 1.00 0.00 C ATOM 1830 C TYR A 112 -1.598 -6.925 7.444 1.00 0.00 C ATOM 1831 O TYR A 112 -2.193 -6.740 6.381 1.00 0.00 O ATOM 1832 CB TYR A 112 -0.957 -9.332 7.210 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.567 -10.609 7.926 1.00 0.00 C ATOM 1834 CD1 TYR A 112 -1.533 -11.439 8.485 1.00 0.00 C ATOM 1835 CD2 TYR A 112 0.765 -10.984 8.038 1.00 0.00 C ATOM 1836 CE1 TYR A 112 -1.181 -12.607 9.135 1.00 0.00 C ATOM 1837 CE2 TYR A 112 1.126 -12.150 8.687 1.00 0.00 C ATOM 1838 CZ TYR A 112 0.151 -12.958 9.233 1.00 0.00 C ATOM 1839 OH TYR A 112 0.508 -14.122 9.877 1.00 0.00 O ATOM 0 H TYR A 112 -3.535 -8.944 7.619 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.047 -8.228 9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.643 -9.577 6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.068 -8.896 6.755 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.575 -11.166 8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.532 -10.354 7.611 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.943 -13.241 9.564 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.167 -12.427 8.766 1.00 0.00 H new ATOM 0 HH TYR A 112 1.483 -14.221 9.856 1.00 0.00 H new ATOM 1849 N GLU A 113 -0.928 -5.974 8.079 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.847 -4.618 7.554 1.00 0.00 C ATOM 1851 C GLU A 113 0.509 -3.982 7.871 1.00 0.00 C ATOM 1852 O GLU A 113 1.076 -4.202 8.944 1.00 0.00 O ATOM 1853 CB GLU A 113 -1.998 -3.780 8.122 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.683 -3.083 9.438 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.903 -2.928 10.322 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.342 -3.936 10.914 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -3.425 -1.796 10.421 1.00 0.00 O ATOM 0 H GLU A 113 -0.432 -6.116 8.959 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.939 -4.654 6.468 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.280 -3.028 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.864 -4.426 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -0.922 -3.651 9.972 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.261 -2.099 9.232 1.00 0.00 H new ATOM 1864 N VAL A 114 1.025 -3.201 6.922 1.00 0.00 N ATOM 1865 CA VAL A 114 2.317 -2.537 7.087 1.00 0.00 C ATOM 1866 C VAL A 114 2.163 -1.023 7.160 1.00 0.00 C ATOM 1867 O VAL A 114 1.283 -0.445 6.514 1.00 0.00 O ATOM 1868 CB VAL A 114 3.284 -2.873 5.931 1.00 0.00 C ATOM 1869 CG1 VAL A 114 4.688 -2.361 6.233 1.00 0.00 C ATOM 1870 CG2 VAL A 114 3.308 -4.368 5.659 1.00 0.00 C ATOM 0 H VAL A 114 0.567 -3.013 6.030 1.00 0.00 H new ATOM 0 HA VAL A 114 2.730 -2.908 8.025 1.00 0.00 H new ATOM 0 HB VAL A 114 2.921 -2.370 5.034 1.00 0.00 H new ATOM 0 HG11 VAL A 114 5.352 -2.609 5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.660 -1.279 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 114 5.057 -2.828 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 114 3.997 -4.578 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 114 3.637 -4.895 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 114 2.308 -4.704 5.387 1.00 0.00 H new ATOM 1880 N GLU A 115 3.037 -0.387 7.939 1.00 0.00 N ATOM 1881 CA GLU A 115 3.020 1.062 8.090 1.00 0.00 C ATOM 1882 C GLU A 115 4.433 1.632 7.986 1.00 0.00 C ATOM 1883 O GLU A 115 5.254 1.456 8.890 1.00 0.00 O ATOM 1884 CB GLU A 115 2.395 1.447 9.433 1.00 0.00 C ATOM 1885 CG GLU A 115 0.911 1.114 9.528 1.00 0.00 C ATOM 1886 CD GLU A 115 0.522 0.467 10.846 1.00 0.00 C ATOM 1887 OE1 GLU A 115 1.295 -0.370 11.358 1.00 0.00 O ATOM 1888 OE2 GLU A 115 -0.565 0.800 11.365 1.00 0.00 O ATOM 0 H GLU A 115 3.766 -0.857 8.475 1.00 0.00 H new ATOM 0 HA GLU A 115 2.417 1.484 7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.927 0.933 10.233 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.531 2.516 9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.332 2.028 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.643 0.445 8.710 1.00 0.00 H new ATOM 1895 N HIS A 116 4.707 2.314 6.877 1.00 0.00 N ATOM 1896 CA HIS A 116 6.017 2.917 6.646 1.00 0.00 C ATOM 1897 C HIS A 116 5.914 4.438 6.628 1.00 0.00 C ATOM 1898 O HIS A 116 4.969 4.994 6.071 1.00 0.00 O ATOM 1899 CB HIS A 116 6.606 2.422 5.323 1.00 0.00 C ATOM 1900 CG HIS A 116 7.756 1.480 5.493 1.00 0.00 C ATOM 1901 ND1 HIS A 116 8.965 1.855 6.042 1.00 0.00 N ATOM 1902 CD2 HIS A 116 7.878 0.170 5.174 1.00 0.00 C ATOM 1903 CE1 HIS A 116 9.781 0.816 6.052 1.00 0.00 C ATOM 1904 NE2 HIS A 116 9.145 -0.218 5.531 1.00 0.00 N ATOM 0 H HIS A 116 4.037 2.463 6.122 1.00 0.00 H new ATOM 0 HA HIS A 116 6.676 2.620 7.462 1.00 0.00 H new ATOM 0 HB2 HIS A 116 5.823 1.926 4.750 1.00 0.00 H new ATOM 0 HB3 HIS A 116 6.934 3.281 4.738 1.00 0.00 H new ATOM 0 HD2 HIS A 116 7.120 -0.453 4.723 1.00 0.00 H new ATOM 0 HE1 HIS A 116 10.795 0.813 6.423 1.00 0.00 H new ATOM 0 HE2 HIS A 116 9.533 -1.154 5.413 1.00 0.00 H new ATOM 1913 N VAL A 117 6.890 5.108 7.240 1.00 0.00 N ATOM 1914 CA VAL A 117 6.903 6.568 7.291 1.00 0.00 C ATOM 1915 C VAL A 117 8.200 7.131 6.707 1.00 0.00 C ATOM 1916 O VAL A 117 9.297 6.822 7.178 1.00 0.00 O ATOM 1917 CB VAL A 117 6.713 7.087 8.734 1.00 0.00 C ATOM 1918 CG1 VAL A 117 7.852 6.624 9.636 1.00 0.00 C ATOM 1919 CG2 VAL A 117 6.594 8.607 8.748 1.00 0.00 C ATOM 0 H VAL A 117 7.680 4.663 7.706 1.00 0.00 H new ATOM 0 HA VAL A 117 6.065 6.914 6.686 1.00 0.00 H new ATOM 0 HB VAL A 117 5.785 6.668 9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.694 7.003 10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.879 5.535 9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 117 8.798 7.003 9.250 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.461 8.952 9.773 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.500 9.047 8.332 1.00 0.00 H new ATOM 0 HG23 VAL A 117 5.736 8.910 8.149 1.00 0.00 H new ATOM 1929 N ILE A 118 8.060 7.963 5.674 1.00 0.00 N ATOM 1930 CA ILE A 118 9.207 8.580 5.015 1.00 0.00 C ATOM 1931 C ILE A 118 9.199 10.092 5.238 1.00 0.00 C ATOM 1932 O ILE A 118 8.333 10.797 4.722 1.00 0.00 O ATOM 1933 CB ILE A 118 9.214 8.289 3.497 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.911 6.811 3.230 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.552 8.680 2.886 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.465 6.543 2.868 1.00 0.00 C ATOM 0 H ILE A 118 7.158 8.225 5.276 1.00 0.00 H new ATOM 0 HA ILE A 118 10.106 8.148 5.455 1.00 0.00 H new ATOM 0 HB ILE A 118 8.433 8.888 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.550 6.458 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 118 9.168 6.230 4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.539 8.468 1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.727 9.744 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.350 8.108 3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.325 5.476 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.820 6.864 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.208 7.096 1.964 1.00 0.00 H new ATOM 1948 N GLN A 119 10.162 10.583 6.018 1.00 0.00 N ATOM 1949 CA GLN A 119 10.251 12.011 6.314 1.00 0.00 C ATOM 1950 C GLN A 119 11.633 12.562 5.975 1.00 0.00 C ATOM 1951 O GLN A 119 12.637 11.854 6.080 1.00 0.00 O ATOM 1952 CB GLN A 119 9.945 12.261 7.791 1.00 0.00 C ATOM 1953 CG GLN A 119 8.458 12.319 8.105 1.00 0.00 C ATOM 1954 CD GLN A 119 8.134 13.322 9.197 1.00 0.00 C ATOM 1955 OE1 GLN A 119 8.518 14.577 8.984 1.00 0.00 O flip ATOM 1956 NE2 GLN A 119 7.544 12.974 10.218 1.00 0.00 N flip ATOM 0 H GLN A 119 10.888 10.015 6.454 1.00 0.00 H new ATOM 0 HA GLN A 119 9.516 12.527 5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 119 10.403 11.471 8.387 1.00 0.00 H new ATOM 0 HB3 GLN A 119 10.409 13.199 8.095 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.909 12.581 7.201 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.116 11.330 8.411 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.268 12.000 10.340 1.00 0.00 H new ATOM 0 HE22 GLN A 119 7.331 13.659 10.943 1.00 0.00 H new ATOM 1965 N ILE A 120 11.676 13.834 5.576 1.00 0.00 N ATOM 1966 CA ILE A 120 12.936 14.490 5.230 1.00 0.00 C ATOM 1967 C ILE A 120 12.744 16.000 5.005 1.00 0.00 C ATOM 1968 O ILE A 120 13.029 16.527 3.930 1.00 0.00 O ATOM 1969 CB ILE A 120 13.582 13.834 3.985 1.00 0.00 C ATOM 1970 CG1 ILE A 120 14.986 14.402 3.741 1.00 0.00 C ATOM 1971 CG2 ILE A 120 12.698 14.016 2.759 1.00 0.00 C ATOM 1972 CD1 ILE A 120 16.065 13.709 4.545 1.00 0.00 C ATOM 0 H ILE A 120 10.853 14.429 5.485 1.00 0.00 H new ATOM 0 HA ILE A 120 13.611 14.361 6.076 1.00 0.00 H new ATOM 0 HB ILE A 120 13.679 12.765 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 120 15.224 14.319 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 120 14.987 15.464 3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 120 13.171 13.547 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 120 11.728 13.552 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 120 12.561 15.080 2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 120 17.031 14.162 4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 120 15.851 13.814 5.609 1.00 0.00 H new ATOM 0 HD13 ILE A 120 16.091 12.651 4.283 1.00 0.00 H new ATOM 1984 N PRO A 121 12.260 16.722 6.036 1.00 0.00 N ATOM 1985 CA PRO A 121 12.040 18.171 5.952 1.00 0.00 C ATOM 1986 C PRO A 121 13.344 18.966 6.018 1.00 0.00 C ATOM 1987 O PRO A 121 13.429 20.074 5.490 1.00 0.00 O ATOM 1988 CB PRO A 121 11.175 18.462 7.177 1.00 0.00 C ATOM 1989 CG PRO A 121 11.547 17.409 8.164 1.00 0.00 C ATOM 1990 CD PRO A 121 11.893 16.183 7.362 1.00 0.00 C ATOM 0 HA PRO A 121 11.582 18.461 5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 121 11.369 19.460 7.571 1.00 0.00 H new ATOM 0 HB3 PRO A 121 10.114 18.417 6.932 1.00 0.00 H new ATOM 0 HG2 PRO A 121 12.394 17.728 8.772 1.00 0.00 H new ATOM 0 HG3 PRO A 121 10.722 17.207 8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 121 12.718 15.630 7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 121 11.049 15.497 7.295 1.00 0.00 H new