USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 828 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 19 MET CE :methyl 135:sc= -1.41 (180deg=-5.06!) USER MOD Set 1.2: A 82 HIS : no HD1:sc= -2.26 K(o=-3.7,f=-2.8) USER MOD Set 2.1: A 33 THR OG1 : rot 23:sc= -0.596! USER MOD Set 2.2: A 59 TYR OH : rot -150:sc= 0.463 USER MOD Set 3.1: A 9 CYS SG : rot 115:sc= -0.678 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.563 K(o=-0.12,f=-2.7) USER MOD Set 4.1: A 3 SER OG : rot -81:sc= 0.00527 USER MOD Set 4.2: A 6 SER OG : rot 180:sc= -0.0516 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0756 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.57 K(o=-1.6,f=-6.4!) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0.15 (180deg=0.099) USER MOD Single : A 20 LYS NZ :NH3+ -114:sc= 0.00147 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot -139:sc= 0.134 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -171:sc= -0.561 (180deg=-0.695) USER MOD Single : A 49 MET CE :methyl -115:sc= -0.0988 (180deg=-0.613) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -2.76 K(o=-2.8,f=-1.8) USER MOD Single : A 61 SER OG : rot 180:sc= -0.223 USER MOD Single : A 67 MET CE :methyl 151:sc= -0.367 (180deg=-0.525) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 171:sc= -0.388 (180deg=-0.481) USER MOD Single : A 78 GLN : amide:sc= -0.0775 X(o=-0.078,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 36:sc= 0.0457 USER MOD Single : A 107 SER OG : rot 48:sc= 0.757 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.517 13.533 2.692 1.00 0.00 N ATOM 2 CA GLY A 1 -9.552 14.168 1.814 1.00 0.00 C ATOM 3 C GLY A 1 -8.214 14.395 2.490 1.00 0.00 C ATOM 4 O GLY A 1 -8.033 14.043 3.656 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.844 12.644 2.263 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.071 13.332 3.610 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.328 14.168 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.408 13.548 0.929 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.950 15.124 1.473 1.00 0.00 H new ATOM 8 N SER A 2 -7.275 14.983 1.757 1.00 0.00 N ATOM 9 CA SER A 2 -5.945 15.252 2.291 1.00 0.00 C ATOM 10 C SER A 2 -6.034 15.967 3.636 1.00 0.00 C ATOM 11 O SER A 2 -6.797 16.919 3.795 1.00 0.00 O ATOM 12 CB SER A 2 -5.136 16.096 1.304 1.00 0.00 C ATOM 13 OG SER A 2 -3.752 16.046 1.604 1.00 0.00 O ATOM 0 H SER A 2 -7.410 15.282 0.791 1.00 0.00 H new ATOM 0 HA SER A 2 -5.440 14.297 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.304 15.735 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.481 17.129 1.336 1.00 0.00 H new ATOM 0 HG SER A 2 -3.257 16.592 0.958 1.00 0.00 H new ATOM 19 N SER A 3 -5.248 15.500 4.600 1.00 0.00 N ATOM 20 CA SER A 3 -5.239 16.092 5.933 1.00 0.00 C ATOM 21 C SER A 3 -4.021 15.629 6.726 1.00 0.00 C ATOM 22 O SER A 3 -3.364 14.654 6.363 1.00 0.00 O ATOM 23 CB SER A 3 -6.520 15.725 6.685 1.00 0.00 C ATOM 24 OG SER A 3 -6.725 14.322 6.689 1.00 0.00 O ATOM 0 H SER A 3 -4.609 14.714 4.483 1.00 0.00 H new ATOM 0 HA SER A 3 -5.188 17.175 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.461 16.090 7.710 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.373 16.219 6.220 1.00 0.00 H new ATOM 0 HG SER A 3 -7.123 14.047 5.837 1.00 0.00 H new ATOM 30 N GLY A 4 -3.724 16.337 7.811 1.00 0.00 N ATOM 31 CA GLY A 4 -2.585 15.985 8.639 1.00 0.00 C ATOM 32 C GLY A 4 -2.870 14.804 9.545 1.00 0.00 C ATOM 33 O GLY A 4 -2.023 13.928 9.720 1.00 0.00 O ATOM 0 H GLY A 4 -4.252 17.149 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.733 15.752 8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.302 16.845 9.246 1.00 0.00 H new ATOM 37 N SER A 5 -4.066 14.779 10.124 1.00 0.00 N ATOM 38 CA SER A 5 -4.459 13.699 11.022 1.00 0.00 C ATOM 39 C SER A 5 -4.048 12.344 10.454 1.00 0.00 C ATOM 40 O SER A 5 -3.387 11.552 11.125 1.00 0.00 O ATOM 41 CB SER A 5 -5.970 13.729 11.259 1.00 0.00 C ATOM 42 OG SER A 5 -6.348 14.875 12.001 1.00 0.00 O ATOM 0 H SER A 5 -4.780 15.494 9.987 1.00 0.00 H new ATOM 0 HA SER A 5 -3.947 13.845 11.973 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.491 13.724 10.302 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.275 12.829 11.793 1.00 0.00 H new ATOM 0 HG SER A 5 -7.318 14.871 12.137 1.00 0.00 H new ATOM 48 N SER A 6 -4.445 12.085 9.212 1.00 0.00 N ATOM 49 CA SER A 6 -4.122 10.825 8.554 1.00 0.00 C ATOM 50 C SER A 6 -2.624 10.543 8.624 1.00 0.00 C ATOM 51 O SER A 6 -2.201 9.477 9.070 1.00 0.00 O ATOM 52 CB SER A 6 -4.578 10.856 7.094 1.00 0.00 C ATOM 53 OG SER A 6 -4.070 11.997 6.425 1.00 0.00 O ATOM 0 H SER A 6 -4.991 12.731 8.642 1.00 0.00 H new ATOM 0 HA SER A 6 -4.649 10.026 9.076 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.241 9.953 6.585 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.667 10.860 7.050 1.00 0.00 H new ATOM 0 HG SER A 6 -4.374 11.993 5.493 1.00 0.00 H new ATOM 59 N GLY A 7 -1.825 11.509 8.181 1.00 0.00 N ATOM 60 CA GLY A 7 -0.383 11.347 8.201 1.00 0.00 C ATOM 61 C GLY A 7 0.093 10.271 7.246 1.00 0.00 C ATOM 62 O GLY A 7 -0.042 10.406 6.031 1.00 0.00 O ATOM 0 H GLY A 7 -2.151 12.401 7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.089 12.294 7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.062 11.098 9.213 1.00 0.00 H new ATOM 66 N ASN A 8 0.655 9.199 7.796 1.00 0.00 N ATOM 67 CA ASN A 8 1.155 8.096 6.984 1.00 0.00 C ATOM 68 C ASN A 8 0.008 7.364 6.294 1.00 0.00 C ATOM 69 O ASN A 8 -1.001 7.040 6.922 1.00 0.00 O ATOM 70 CB ASN A 8 1.952 7.118 7.850 1.00 0.00 C ATOM 71 CG ASN A 8 2.168 5.782 7.164 1.00 0.00 C ATOM 72 OD1 ASN A 8 2.244 5.707 5.938 1.00 0.00 O ATOM 73 ND2 ASN A 8 2.268 4.721 7.955 1.00 0.00 N ATOM 0 H ASN A 8 0.775 9.071 8.801 1.00 0.00 H new ATOM 0 HA ASN A 8 1.811 8.510 6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.919 7.558 8.095 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.426 6.959 8.792 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.414 3.796 7.551 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.199 4.831 8.967 1.00 0.00 H new ATOM 80 N CYS A 9 0.170 7.107 5.001 1.00 0.00 N ATOM 81 CA CYS A 9 -0.853 6.413 4.226 1.00 0.00 C ATOM 82 C CYS A 9 -0.260 5.210 3.498 1.00 0.00 C ATOM 83 O CYS A 9 0.633 5.356 2.664 1.00 0.00 O ATOM 84 CB CYS A 9 -1.495 7.368 3.219 1.00 0.00 C ATOM 85 SG CYS A 9 -3.218 6.982 2.830 1.00 0.00 S ATOM 0 H CYS A 9 0.999 7.368 4.467 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.618 6.057 4.916 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.441 8.383 3.612 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.913 7.352 2.297 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.985 7.941 3.257 1.00 0.00 H new ATOM 91 N ARG A 10 -0.763 4.023 3.821 1.00 0.00 N ATOM 92 CA ARG A 10 -0.282 2.795 3.200 1.00 0.00 C ATOM 93 C ARG A 10 -1.437 2.002 2.596 1.00 0.00 C ATOM 94 O ARG A 10 -2.494 1.858 3.212 1.00 0.00 O ATOM 95 CB ARG A 10 0.458 1.936 4.227 1.00 0.00 C ATOM 96 CG ARG A 10 1.945 2.240 4.317 1.00 0.00 C ATOM 97 CD ARG A 10 2.667 1.233 5.199 1.00 0.00 C ATOM 98 NE ARG A 10 2.489 1.522 6.619 1.00 0.00 N ATOM 99 CZ ARG A 10 3.149 0.893 7.585 1.00 0.00 C ATOM 100 NH1 ARG A 10 4.026 -0.055 7.285 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.933 1.213 8.855 1.00 0.00 N ATOM 0 H ARG A 10 -1.503 3.886 4.509 1.00 0.00 H new ATOM 0 HA ARG A 10 0.406 3.068 2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.005 2.086 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.325 0.885 3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.381 2.229 3.318 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.089 3.244 4.716 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.296 0.231 4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.730 1.237 4.959 1.00 0.00 H new ATOM 0 HE ARG A 10 1.821 2.246 6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.195 -0.303 6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.531 -0.536 8.029 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.260 1.942 9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.440 0.729 9.596 1.00 0.00 H new ATOM 115 N LEU A 11 -1.229 1.492 1.388 1.00 0.00 N ATOM 116 CA LEU A 11 -2.253 0.713 0.699 1.00 0.00 C ATOM 117 C LEU A 11 -2.038 -0.781 0.915 1.00 0.00 C ATOM 118 O LEU A 11 -0.912 -1.273 0.848 1.00 0.00 O ATOM 119 CB LEU A 11 -2.243 1.031 -0.797 1.00 0.00 C ATOM 120 CG LEU A 11 -2.869 2.365 -1.205 1.00 0.00 C ATOM 121 CD1 LEU A 11 -2.983 2.461 -2.718 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.234 2.534 -0.553 1.00 0.00 C ATOM 0 H LEU A 11 -0.361 1.603 0.864 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.223 0.985 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.210 1.016 -1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.767 0.232 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.221 3.170 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.431 3.417 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.991 2.386 -3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.609 1.649 -3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.665 3.489 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.891 1.723 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.125 2.511 0.531 1.00 0.00 H new ATOM 134 N PHE A 12 -3.127 -1.499 1.172 1.00 0.00 N ATOM 135 CA PHE A 12 -3.058 -2.938 1.397 1.00 0.00 C ATOM 136 C PHE A 12 -3.091 -3.697 0.073 1.00 0.00 C ATOM 137 O PHE A 12 -4.144 -3.831 -0.551 1.00 0.00 O ATOM 138 CB PHE A 12 -4.216 -3.393 2.287 1.00 0.00 C ATOM 139 CG PHE A 12 -4.325 -4.886 2.413 1.00 0.00 C ATOM 140 CD1 PHE A 12 -5.017 -5.625 1.467 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.736 -5.549 3.477 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.119 -6.998 1.581 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.835 -6.923 3.596 1.00 0.00 C ATOM 144 CZ PHE A 12 -4.527 -7.648 2.646 1.00 0.00 C ATOM 0 H PHE A 12 -4.067 -1.108 1.230 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.116 -3.157 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.092 -2.961 3.280 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.150 -3.001 1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.482 -5.122 0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.193 -4.986 4.222 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.662 -7.563 0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.372 -7.428 4.431 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.605 -8.721 2.736 1.00 0.00 H new ATOM 154 N ILE A 13 -1.932 -4.191 -0.348 1.00 0.00 N ATOM 155 CA ILE A 13 -1.828 -4.936 -1.596 1.00 0.00 C ATOM 156 C ILE A 13 -1.759 -6.437 -1.336 1.00 0.00 C ATOM 157 O ILE A 13 -0.825 -6.926 -0.702 1.00 0.00 O ATOM 158 CB ILE A 13 -0.589 -4.510 -2.405 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.426 -2.989 -2.367 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.699 -5.000 -3.841 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.601 -2.240 -2.955 1.00 0.00 C ATOM 0 H ILE A 13 -1.052 -4.089 0.157 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.724 -4.710 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 13 0.294 -4.963 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.284 -2.673 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.478 -2.715 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.184 -4.691 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.772 -6.088 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.589 -4.573 -4.304 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.416 -1.168 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.730 -2.527 -3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.505 -2.484 -2.397 1.00 0.00 H new ATOM 173 N GLY A 14 -2.756 -7.165 -1.832 1.00 0.00 N ATOM 174 CA GLY A 14 -2.789 -8.603 -1.645 1.00 0.00 C ATOM 175 C GLY A 14 -2.984 -9.354 -2.947 1.00 0.00 C ATOM 176 O GLY A 14 -3.809 -8.970 -3.775 1.00 0.00 O ATOM 0 H GLY A 14 -3.541 -6.784 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.859 -8.927 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.596 -8.858 -0.958 1.00 0.00 H new ATOM 180 N GLY A 15 -2.219 -10.426 -3.131 1.00 0.00 N ATOM 181 CA GLY A 15 -2.326 -11.214 -4.345 1.00 0.00 C ATOM 182 C GLY A 15 -1.074 -11.139 -5.196 1.00 0.00 C ATOM 183 O GLY A 15 -1.000 -11.757 -6.258 1.00 0.00 O ATOM 0 H GLY A 15 -1.527 -10.763 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.522 -12.254 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.179 -10.865 -4.927 1.00 0.00 H new ATOM 187 N ILE A 16 -0.088 -10.379 -4.730 1.00 0.00 N ATOM 188 CA ILE A 16 1.166 -10.226 -5.457 1.00 0.00 C ATOM 189 C ILE A 16 2.061 -11.446 -5.272 1.00 0.00 C ATOM 190 O ILE A 16 2.086 -12.074 -4.213 1.00 0.00 O ATOM 191 CB ILE A 16 1.930 -8.968 -5.002 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.162 -9.005 -3.490 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.166 -7.713 -5.395 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.409 -8.268 -3.052 1.00 0.00 C ATOM 0 H ILE A 16 -0.134 -9.860 -3.853 1.00 0.00 H new ATOM 0 HA ILE A 16 0.909 -10.124 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 16 2.900 -8.950 -5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.298 -8.571 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.231 -10.044 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.719 -6.833 -5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.047 -7.684 -6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.184 -7.722 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.510 -8.336 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.282 -8.716 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.334 -7.221 -3.345 1.00 0.00 H new ATOM 206 N PRO A 17 2.818 -11.790 -6.325 1.00 0.00 N ATOM 207 CA PRO A 17 3.731 -12.936 -6.302 1.00 0.00 C ATOM 208 C PRO A 17 4.932 -12.703 -5.392 1.00 0.00 C ATOM 209 O PRO A 17 5.685 -11.746 -5.573 1.00 0.00 O ATOM 210 CB PRO A 17 4.181 -13.060 -7.760 1.00 0.00 C ATOM 211 CG PRO A 17 4.023 -11.689 -8.323 1.00 0.00 C ATOM 212 CD PRO A 17 2.839 -11.086 -7.618 1.00 0.00 C ATOM 0 HA PRO A 17 3.249 -13.833 -5.912 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.215 -13.399 -7.828 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.572 -13.783 -8.302 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.921 -11.093 -8.158 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.859 -11.726 -9.400 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.954 -10.010 -7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.916 -11.243 -8.176 1.00 0.00 H new ATOM 220 N LYS A 18 5.106 -13.583 -4.412 1.00 0.00 N ATOM 221 CA LYS A 18 6.217 -13.475 -3.474 1.00 0.00 C ATOM 222 C LYS A 18 7.553 -13.470 -4.210 1.00 0.00 C ATOM 223 O LYS A 18 8.499 -12.803 -3.793 1.00 0.00 O ATOM 224 CB LYS A 18 6.179 -14.630 -2.471 1.00 0.00 C ATOM 225 CG LYS A 18 4.844 -14.776 -1.761 1.00 0.00 C ATOM 226 CD LYS A 18 4.570 -16.221 -1.380 1.00 0.00 C ATOM 227 CE LYS A 18 3.203 -16.376 -0.730 1.00 0.00 C ATOM 228 NZ LYS A 18 3.144 -17.570 0.159 1.00 0.00 N ATOM 0 H LYS A 18 4.491 -14.380 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 18 6.115 -12.532 -2.937 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.408 -15.560 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.962 -14.480 -1.728 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.838 -14.155 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.045 -14.411 -2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.625 -16.850 -2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.342 -16.570 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.972 -15.481 -0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.440 -16.461 -1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.165 -17.719 0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.471 -18.408 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.756 -17.417 0.986 1.00 0.00 H new ATOM 242 N MET A 19 7.621 -14.217 -5.307 1.00 0.00 N ATOM 243 CA MET A 19 8.841 -14.296 -6.102 1.00 0.00 C ATOM 244 C MET A 19 9.464 -12.915 -6.281 1.00 0.00 C ATOM 245 O MET A 19 10.662 -12.791 -6.536 1.00 0.00 O ATOM 246 CB MET A 19 8.545 -14.917 -7.469 1.00 0.00 C ATOM 247 CG MET A 19 7.950 -13.935 -8.465 1.00 0.00 C ATOM 248 SD MET A 19 7.043 -14.755 -9.791 1.00 0.00 S ATOM 249 CE MET A 19 5.936 -15.801 -8.847 1.00 0.00 C ATOM 0 H MET A 19 6.847 -14.776 -5.665 1.00 0.00 H new ATOM 0 HA MET A 19 9.551 -14.929 -5.570 1.00 0.00 H new ATOM 0 HB2 MET A 19 9.468 -15.326 -7.881 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.857 -15.752 -7.339 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.281 -13.252 -7.941 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.749 -13.331 -8.896 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.931 -15.736 -9.263 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.282 -16.833 -8.894 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.920 -15.471 -7.808 1.00 0.00 H new ATOM 259 N LYS A 20 8.643 -11.879 -6.147 1.00 0.00 N ATOM 260 CA LYS A 20 9.112 -10.507 -6.293 1.00 0.00 C ATOM 261 C LYS A 20 9.679 -9.983 -4.977 1.00 0.00 C ATOM 262 O LYS A 20 9.736 -10.705 -3.982 1.00 0.00 O ATOM 263 CB LYS A 20 7.971 -9.603 -6.764 1.00 0.00 C ATOM 264 CG LYS A 20 7.151 -10.199 -7.895 1.00 0.00 C ATOM 265 CD LYS A 20 7.937 -10.235 -9.195 1.00 0.00 C ATOM 266 CE LYS A 20 7.338 -11.225 -10.182 1.00 0.00 C ATOM 267 NZ LYS A 20 8.343 -11.697 -11.175 1.00 0.00 N ATOM 0 H LYS A 20 7.648 -11.964 -5.937 1.00 0.00 H new ATOM 0 HA LYS A 20 9.906 -10.499 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.313 -9.393 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.385 -8.649 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.841 -11.209 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.242 -9.614 -8.034 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.952 -9.240 -9.640 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.972 -10.507 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.935 -12.080 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.504 -10.757 -10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.079 -11.360 -12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.281 -11.325 -10.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.371 -12.737 -11.173 1.00 0.00 H new ATOM 281 N LYS A 21 10.096 -8.721 -4.978 1.00 0.00 N ATOM 282 CA LYS A 21 10.656 -8.098 -3.785 1.00 0.00 C ATOM 283 C LYS A 21 10.204 -6.646 -3.666 1.00 0.00 C ATOM 284 O LYS A 21 9.867 -6.008 -4.663 1.00 0.00 O ATOM 285 CB LYS A 21 12.184 -8.167 -3.818 1.00 0.00 C ATOM 286 CG LYS A 21 12.731 -9.583 -3.778 1.00 0.00 C ATOM 287 CD LYS A 21 12.870 -10.167 -5.174 1.00 0.00 C ATOM 288 CE LYS A 21 14.096 -9.619 -5.887 1.00 0.00 C ATOM 289 NZ LYS A 21 15.313 -10.427 -5.598 1.00 0.00 N ATOM 0 H LYS A 21 10.056 -8.109 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 21 10.293 -8.645 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.542 -7.674 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.583 -7.609 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.702 -9.585 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.069 -10.213 -3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.940 -11.253 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.977 -9.939 -5.756 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.915 -9.606 -6.962 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.264 -8.587 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.127 -10.021 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.500 -10.419 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.163 -11.406 -5.915 1.00 0.00 H new ATOM 303 N ARG A 22 10.200 -6.131 -2.440 1.00 0.00 N ATOM 304 CA ARG A 22 9.790 -4.754 -2.192 1.00 0.00 C ATOM 305 C ARG A 22 10.376 -3.815 -3.241 1.00 0.00 C ATOM 306 O ARG A 22 9.703 -2.899 -3.713 1.00 0.00 O ATOM 307 CB ARG A 22 10.229 -4.313 -0.794 1.00 0.00 C ATOM 308 CG ARG A 22 11.732 -4.137 -0.656 1.00 0.00 C ATOM 309 CD ARG A 22 12.133 -3.886 0.789 1.00 0.00 C ATOM 310 NE ARG A 22 13.547 -4.167 1.022 1.00 0.00 N ATOM 311 CZ ARG A 22 14.161 -3.938 2.178 1.00 0.00 C ATOM 312 NH1 ARG A 22 13.489 -3.427 3.200 1.00 0.00 N ATOM 313 NH2 ARG A 22 15.451 -4.220 2.312 1.00 0.00 N ATOM 0 H ARG A 22 10.476 -6.646 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 22 8.703 -4.708 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.737 -3.372 -0.548 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.889 -5.050 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.239 -5.028 -1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.060 -3.303 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.922 -2.849 1.049 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.527 -4.509 1.447 1.00 0.00 H new ATOM 0 HE ARG A 22 14.093 -4.561 0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.498 -3.208 3.100 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.963 -3.252 4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.971 -4.613 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.922 -4.044 3.199 1.00 0.00 H new ATOM 327 N GLU A 23 11.635 -4.048 -3.601 1.00 0.00 N ATOM 328 CA GLU A 23 12.311 -3.221 -4.593 1.00 0.00 C ATOM 329 C GLU A 23 11.586 -3.279 -5.935 1.00 0.00 C ATOM 330 O GLU A 23 11.461 -2.270 -6.627 1.00 0.00 O ATOM 331 CB GLU A 23 13.762 -3.675 -4.764 1.00 0.00 C ATOM 332 CG GLU A 23 13.902 -5.146 -5.119 1.00 0.00 C ATOM 333 CD GLU A 23 15.330 -5.641 -5.005 1.00 0.00 C ATOM 334 OE1 GLU A 23 15.975 -5.360 -3.973 1.00 0.00 O ATOM 335 OE2 GLU A 23 15.803 -6.309 -5.948 1.00 0.00 O ATOM 0 H GLU A 23 12.206 -4.802 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 23 12.300 -2.190 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.232 -3.075 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.306 -3.480 -3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.263 -5.737 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.546 -5.305 -6.137 1.00 0.00 H new ATOM 342 N GLU A 24 11.113 -4.468 -6.294 1.00 0.00 N ATOM 343 CA GLU A 24 10.402 -4.658 -7.553 1.00 0.00 C ATOM 344 C GLU A 24 8.981 -4.108 -7.464 1.00 0.00 C ATOM 345 O GLU A 24 8.522 -3.398 -8.359 1.00 0.00 O ATOM 346 CB GLU A 24 10.364 -6.142 -7.924 1.00 0.00 C ATOM 347 CG GLU A 24 11.706 -6.689 -8.384 1.00 0.00 C ATOM 348 CD GLU A 24 11.617 -8.124 -8.863 1.00 0.00 C ATOM 349 OE1 GLU A 24 11.241 -8.998 -8.053 1.00 0.00 O ATOM 350 OE2 GLU A 24 11.923 -8.375 -10.048 1.00 0.00 O ATOM 0 H GLU A 24 11.209 -5.313 -5.732 1.00 0.00 H new ATOM 0 HA GLU A 24 10.937 -4.110 -8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.024 -6.715 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.630 -6.291 -8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.092 -6.064 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.420 -6.628 -7.563 1.00 0.00 H new ATOM 357 N ILE A 25 8.291 -4.443 -6.379 1.00 0.00 N ATOM 358 CA ILE A 25 6.923 -3.983 -6.173 1.00 0.00 C ATOM 359 C ILE A 25 6.824 -2.469 -6.324 1.00 0.00 C ATOM 360 O ILE A 25 6.017 -1.963 -7.105 1.00 0.00 O ATOM 361 CB ILE A 25 6.397 -4.385 -4.782 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.437 -5.906 -4.618 1.00 0.00 C ATOM 363 CG2 ILE A 25 4.983 -3.862 -4.579 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.535 -6.356 -3.178 1.00 0.00 C ATOM 0 H ILE A 25 8.656 -5.031 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 25 6.310 -4.463 -6.936 1.00 0.00 H new ATOM 0 HB ILE A 25 7.041 -3.939 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.540 -6.335 -5.064 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.288 -6.301 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.625 -4.154 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.982 -2.775 -4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.327 -4.282 -5.341 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.559 -7.445 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.446 -5.956 -2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.670 -5.991 -2.623 1.00 0.00 H new ATOM 376 N LEU A 26 7.650 -1.750 -5.572 1.00 0.00 N ATOM 377 CA LEU A 26 7.657 -0.292 -5.622 1.00 0.00 C ATOM 378 C LEU A 26 7.603 0.203 -7.064 1.00 0.00 C ATOM 379 O LEU A 26 6.671 0.906 -7.453 1.00 0.00 O ATOM 380 CB LEU A 26 8.906 0.256 -4.929 1.00 0.00 C ATOM 381 CG LEU A 26 9.263 1.710 -5.240 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.580 2.648 -4.257 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.771 1.907 -5.208 1.00 0.00 C ATOM 0 H LEU A 26 8.324 -2.153 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 26 6.771 0.069 -5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.772 0.158 -3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.754 -0.372 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 26 8.907 1.946 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.845 3.679 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.499 2.526 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.905 2.413 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.007 2.947 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.150 1.654 -4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.238 1.261 -5.952 1.00 0.00 H new ATOM 395 N GLU A 27 8.607 -0.170 -7.851 1.00 0.00 N ATOM 396 CA GLU A 27 8.672 0.236 -9.250 1.00 0.00 C ATOM 397 C GLU A 27 7.353 -0.052 -9.961 1.00 0.00 C ATOM 398 O GLU A 27 6.793 0.818 -10.628 1.00 0.00 O ATOM 399 CB GLU A 27 9.816 -0.489 -9.961 1.00 0.00 C ATOM 400 CG GLU A 27 10.428 0.310 -11.100 1.00 0.00 C ATOM 401 CD GLU A 27 11.227 1.503 -10.613 1.00 0.00 C ATOM 402 OE1 GLU A 27 12.215 1.296 -9.878 1.00 0.00 O ATOM 403 OE2 GLU A 27 10.863 2.645 -10.966 1.00 0.00 O ATOM 0 H GLU A 27 9.386 -0.752 -7.544 1.00 0.00 H new ATOM 0 HA GLU A 27 8.856 1.310 -9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.594 -0.724 -9.234 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.447 -1.438 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.075 -0.340 -11.688 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.635 0.655 -11.764 1.00 0.00 H new ATOM 410 N GLU A 28 6.863 -1.279 -9.814 1.00 0.00 N ATOM 411 CA GLU A 28 5.611 -1.682 -10.444 1.00 0.00 C ATOM 412 C GLU A 28 4.445 -0.848 -9.919 1.00 0.00 C ATOM 413 O GLU A 28 3.362 -0.840 -10.504 1.00 0.00 O ATOM 414 CB GLU A 28 5.343 -3.167 -10.194 1.00 0.00 C ATOM 415 CG GLU A 28 5.933 -4.079 -11.257 1.00 0.00 C ATOM 416 CD GLU A 28 5.422 -3.760 -12.649 1.00 0.00 C ATOM 417 OE1 GLU A 28 4.188 -3.689 -12.826 1.00 0.00 O ATOM 418 OE2 GLU A 28 6.256 -3.581 -13.560 1.00 0.00 O ATOM 0 H GLU A 28 7.314 -2.011 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 28 5.703 -1.513 -11.517 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.753 -3.443 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.266 -3.330 -10.144 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.019 -3.991 -11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.694 -5.115 -11.015 1.00 0.00 H new ATOM 425 N ILE A 29 4.676 -0.151 -8.812 1.00 0.00 N ATOM 426 CA ILE A 29 3.646 0.686 -8.208 1.00 0.00 C ATOM 427 C ILE A 29 3.783 2.137 -8.656 1.00 0.00 C ATOM 428 O ILE A 29 2.789 2.818 -8.900 1.00 0.00 O ATOM 429 CB ILE A 29 3.704 0.628 -6.670 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.250 -0.746 -6.172 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.843 1.727 -6.066 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.883 -1.150 -6.678 1.00 0.00 C ATOM 0 H ILE A 29 5.567 -0.149 -8.315 1.00 0.00 H new ATOM 0 HA ILE A 29 2.685 0.294 -8.543 1.00 0.00 H new ATOM 0 HB ILE A 29 4.735 0.786 -6.354 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.979 -1.495 -6.481 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.239 -0.743 -5.082 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.894 1.673 -4.979 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.207 2.699 -6.399 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.810 1.598 -6.387 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.626 -2.134 -6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.143 -0.422 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.894 -1.186 -7.767 1.00 0.00 H new ATOM 444 N ALA A 30 5.024 2.602 -8.764 1.00 0.00 N ATOM 445 CA ALA A 30 5.292 3.971 -9.186 1.00 0.00 C ATOM 446 C ALA A 30 4.635 4.269 -10.530 1.00 0.00 C ATOM 447 O ALA A 30 4.543 5.425 -10.945 1.00 0.00 O ATOM 448 CB ALA A 30 6.792 4.215 -9.264 1.00 0.00 C ATOM 0 H ALA A 30 5.859 2.051 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 30 4.864 4.645 -8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.978 5.241 -9.580 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.239 4.051 -8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.235 3.527 -9.984 1.00 0.00 H new ATOM 454 N LYS A 31 4.180 3.220 -11.206 1.00 0.00 N ATOM 455 CA LYS A 31 3.530 3.369 -12.503 1.00 0.00 C ATOM 456 C LYS A 31 2.018 3.211 -12.376 1.00 0.00 C ATOM 457 O LYS A 31 1.255 4.063 -12.831 1.00 0.00 O ATOM 458 CB LYS A 31 4.080 2.339 -13.493 1.00 0.00 C ATOM 459 CG LYS A 31 4.457 1.016 -12.847 1.00 0.00 C ATOM 460 CD LYS A 31 5.063 0.056 -13.857 1.00 0.00 C ATOM 461 CE LYS A 31 6.567 0.252 -13.980 1.00 0.00 C ATOM 462 NZ LYS A 31 7.075 -0.179 -15.311 1.00 0.00 N ATOM 0 H LYS A 31 4.249 2.257 -10.877 1.00 0.00 H new ATOM 0 HA LYS A 31 3.742 4.371 -12.875 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.334 2.157 -14.267 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.957 2.755 -13.988 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.168 1.193 -12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.572 0.564 -12.399 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.852 -0.970 -13.557 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.595 0.206 -14.830 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.811 1.302 -13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.072 -0.314 -13.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.103 -0.030 -15.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.865 -1.188 -15.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.612 0.379 -16.057 1.00 0.00 H new ATOM 476 N VAL A 32 1.592 2.117 -11.754 1.00 0.00 N ATOM 477 CA VAL A 32 0.172 1.849 -11.564 1.00 0.00 C ATOM 478 C VAL A 32 -0.460 2.872 -10.626 1.00 0.00 C ATOM 479 O VAL A 32 -1.670 3.097 -10.658 1.00 0.00 O ATOM 480 CB VAL A 32 -0.063 0.436 -10.998 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.745 -0.592 -11.776 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.286 0.391 -9.518 1.00 0.00 C ATOM 0 H VAL A 32 2.211 1.401 -11.373 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.297 1.921 -12.545 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.119 0.190 -11.107 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.566 -1.584 -11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.442 -0.576 -12.823 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.806 -0.353 -11.701 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.114 -0.615 -9.134 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.335 0.657 -9.383 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.340 1.099 -8.975 1.00 0.00 H new ATOM 492 N THR A 33 0.368 3.490 -9.790 1.00 0.00 N ATOM 493 CA THR A 33 -0.109 4.489 -8.842 1.00 0.00 C ATOM 494 C THR A 33 0.926 5.590 -8.636 1.00 0.00 C ATOM 495 O THR A 33 1.976 5.362 -8.037 1.00 0.00 O ATOM 496 CB THR A 33 -0.445 3.855 -7.479 1.00 0.00 C ATOM 497 OG1 THR A 33 0.738 3.302 -6.891 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.497 2.767 -7.633 1.00 0.00 C ATOM 0 H THR A 33 1.372 3.316 -9.750 1.00 0.00 H new ATOM 0 HA THR A 33 -1.015 4.920 -9.267 1.00 0.00 H new ATOM 0 HB THR A 33 -0.843 4.634 -6.829 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.528 3.739 -7.272 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.718 2.334 -6.657 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.406 3.197 -8.054 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.122 1.990 -8.298 1.00 0.00 H new ATOM 506 N GLU A 34 0.621 6.783 -9.136 1.00 0.00 N ATOM 507 CA GLU A 34 1.526 7.919 -9.006 1.00 0.00 C ATOM 508 C GLU A 34 1.328 8.621 -7.665 1.00 0.00 C ATOM 509 O GLU A 34 0.212 8.989 -7.303 1.00 0.00 O ATOM 510 CB GLU A 34 1.304 8.910 -10.151 1.00 0.00 C ATOM 511 CG GLU A 34 1.943 8.479 -11.460 1.00 0.00 C ATOM 512 CD GLU A 34 2.034 9.611 -12.465 1.00 0.00 C ATOM 513 OE1 GLU A 34 1.005 9.923 -13.100 1.00 0.00 O ATOM 514 OE2 GLU A 34 3.133 10.184 -12.616 1.00 0.00 O ATOM 0 H GLU A 34 -0.245 6.988 -9.634 1.00 0.00 H new ATOM 0 HA GLU A 34 2.548 7.544 -9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.233 9.041 -10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.706 9.881 -9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.943 8.093 -11.262 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.365 7.661 -11.890 1.00 0.00 H new ATOM 521 N GLY A 35 2.423 8.804 -6.932 1.00 0.00 N ATOM 522 CA GLY A 35 2.349 9.460 -5.640 1.00 0.00 C ATOM 523 C GLY A 35 2.861 8.583 -4.514 1.00 0.00 C ATOM 524 O GLY A 35 2.635 8.874 -3.340 1.00 0.00 O ATOM 0 H GLY A 35 3.359 8.510 -7.210 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.929 10.382 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.315 9.740 -5.437 1.00 0.00 H new ATOM 528 N VAL A 36 3.551 7.505 -4.873 1.00 0.00 N ATOM 529 CA VAL A 36 4.095 6.582 -3.884 1.00 0.00 C ATOM 530 C VAL A 36 5.429 7.082 -3.342 1.00 0.00 C ATOM 531 O VAL A 36 6.135 7.845 -4.004 1.00 0.00 O ATOM 532 CB VAL A 36 4.289 5.174 -4.477 1.00 0.00 C ATOM 533 CG1 VAL A 36 3.171 4.848 -5.456 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.648 5.064 -5.152 1.00 0.00 C ATOM 0 H VAL A 36 3.746 7.250 -5.841 1.00 0.00 H new ATOM 0 HA VAL A 36 3.372 6.528 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 36 4.251 4.448 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.325 3.849 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.212 4.884 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.174 5.576 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.769 4.063 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.716 5.799 -5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.434 5.252 -4.420 1.00 0.00 H new ATOM 544 N LEU A 37 5.771 6.647 -2.134 1.00 0.00 N ATOM 545 CA LEU A 37 7.022 7.050 -1.501 1.00 0.00 C ATOM 546 C LEU A 37 7.963 5.859 -1.349 1.00 0.00 C ATOM 547 O LEU A 37 9.135 5.930 -1.718 1.00 0.00 O ATOM 548 CB LEU A 37 6.747 7.676 -0.133 1.00 0.00 C ATOM 549 CG LEU A 37 7.742 8.740 0.331 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.901 9.820 -0.728 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.294 9.348 1.652 1.00 0.00 C ATOM 0 H LEU A 37 5.199 6.015 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 37 7.502 7.790 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.752 8.122 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.724 6.879 0.611 1.00 0.00 H new ATOM 0 HG LEU A 37 8.710 8.263 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.613 10.569 -0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.267 9.372 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.937 10.294 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.014 10.103 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.315 9.810 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.232 8.567 2.410 1.00 0.00 H new ATOM 563 N ASP A 38 7.441 4.766 -0.804 1.00 0.00 N ATOM 564 CA ASP A 38 8.233 3.558 -0.605 1.00 0.00 C ATOM 565 C ASP A 38 7.333 2.356 -0.337 1.00 0.00 C ATOM 566 O ASP A 38 6.203 2.505 0.128 1.00 0.00 O ATOM 567 CB ASP A 38 9.211 3.748 0.556 1.00 0.00 C ATOM 568 CG ASP A 38 10.479 2.936 0.384 1.00 0.00 C ATOM 569 OD1 ASP A 38 11.017 2.906 -0.743 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.934 2.330 1.377 1.00 0.00 O ATOM 0 H ASP A 38 6.473 4.692 -0.492 1.00 0.00 H new ATOM 0 HA ASP A 38 8.798 3.370 -1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.468 4.804 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.724 3.462 1.488 1.00 0.00 H new ATOM 575 N VAL A 39 7.842 1.164 -0.633 1.00 0.00 N ATOM 576 CA VAL A 39 7.084 -0.064 -0.424 1.00 0.00 C ATOM 577 C VAL A 39 7.729 -0.931 0.652 1.00 0.00 C ATOM 578 O VAL A 39 8.950 -1.079 0.695 1.00 0.00 O ATOM 579 CB VAL A 39 6.969 -0.881 -1.724 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.617 -2.329 -1.416 1.00 0.00 C ATOM 581 CG2 VAL A 39 5.938 -0.259 -2.654 1.00 0.00 C ATOM 0 H VAL A 39 8.776 1.023 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 39 6.086 0.231 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 39 7.935 -0.867 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.540 -2.891 -2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.395 -2.767 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.664 -2.368 -0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.870 -0.849 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.966 -0.241 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.238 0.759 -2.901 1.00 0.00 H new ATOM 591 N ILE A 40 6.899 -1.501 1.520 1.00 0.00 N ATOM 592 CA ILE A 40 7.389 -2.355 2.595 1.00 0.00 C ATOM 593 C ILE A 40 6.919 -3.794 2.412 1.00 0.00 C ATOM 594 O ILE A 40 5.779 -4.041 2.019 1.00 0.00 O ATOM 595 CB ILE A 40 6.924 -1.847 3.973 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.317 -0.380 4.159 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.517 -2.704 5.081 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.266 0.593 3.671 1.00 0.00 C ATOM 0 H ILE A 40 5.886 -1.387 1.500 1.00 0.00 H new ATOM 0 HA ILE A 40 8.478 -2.323 2.552 1.00 0.00 H new ATOM 0 HB ILE A 40 5.838 -1.922 4.024 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.509 -0.195 5.216 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.250 -0.192 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.179 -2.333 6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.192 -3.737 4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.605 -2.657 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.612 1.614 3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.090 0.435 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.338 0.432 4.220 1.00 0.00 H new ATOM 610 N VAL A 41 7.805 -4.742 2.701 1.00 0.00 N ATOM 611 CA VAL A 41 7.481 -6.157 2.571 1.00 0.00 C ATOM 612 C VAL A 41 7.717 -6.898 3.883 1.00 0.00 C ATOM 613 O VAL A 41 8.853 -7.225 4.227 1.00 0.00 O ATOM 614 CB VAL A 41 8.314 -6.824 1.461 1.00 0.00 C ATOM 615 CG1 VAL A 41 9.799 -6.720 1.771 1.00 0.00 C ATOM 616 CG2 VAL A 41 7.899 -8.277 1.283 1.00 0.00 C ATOM 0 H VAL A 41 8.753 -4.555 3.027 1.00 0.00 H new ATOM 0 HA VAL A 41 6.425 -6.217 2.308 1.00 0.00 H new ATOM 0 HB VAL A 41 8.125 -6.299 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.371 -7.197 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.083 -5.670 1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.009 -7.218 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.498 -8.733 0.495 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.056 -8.817 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.845 -8.323 1.010 1.00 0.00 H new ATOM 626 N TYR A 42 6.637 -7.159 4.611 1.00 0.00 N ATOM 627 CA TYR A 42 6.727 -7.860 5.887 1.00 0.00 C ATOM 628 C TYR A 42 5.435 -8.615 6.185 1.00 0.00 C ATOM 629 O TYR A 42 4.395 -8.350 5.583 1.00 0.00 O ATOM 630 CB TYR A 42 7.025 -6.871 7.015 1.00 0.00 C ATOM 631 CG TYR A 42 5.787 -6.241 7.611 1.00 0.00 C ATOM 632 CD1 TYR A 42 5.124 -6.837 8.677 1.00 0.00 C ATOM 633 CD2 TYR A 42 5.281 -5.048 7.109 1.00 0.00 C ATOM 634 CE1 TYR A 42 3.992 -6.264 9.224 1.00 0.00 C ATOM 635 CE2 TYR A 42 4.150 -4.468 7.651 1.00 0.00 C ATOM 636 CZ TYR A 42 3.509 -5.080 8.707 1.00 0.00 C ATOM 637 OH TYR A 42 2.382 -4.506 9.250 1.00 0.00 O ATOM 0 H TYR A 42 5.690 -6.896 4.340 1.00 0.00 H new ATOM 0 HA TYR A 42 7.541 -8.582 5.821 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.575 -7.386 7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.676 -6.084 6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.500 -7.764 9.085 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.780 -4.566 6.281 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.488 -6.741 10.052 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.770 -3.540 7.249 1.00 0.00 H new ATOM 0 HH TYR A 42 1.811 -4.162 8.531 1.00 0.00 H new ATOM 647 N ALA A 43 5.510 -9.557 7.119 1.00 0.00 N ATOM 648 CA ALA A 43 4.348 -10.349 7.501 1.00 0.00 C ATOM 649 C ALA A 43 4.663 -11.247 8.692 1.00 0.00 C ATOM 650 O ALA A 43 5.756 -11.187 9.255 1.00 0.00 O ATOM 651 CB ALA A 43 3.867 -11.182 6.322 1.00 0.00 C ATOM 0 H ALA A 43 6.364 -9.790 7.625 1.00 0.00 H new ATOM 0 HA ALA A 43 3.553 -9.664 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.999 -11.769 6.621 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.593 -10.523 5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.664 -11.852 6.001 1.00 0.00 H new ATOM 657 N SER A 44 3.698 -12.079 9.072 1.00 0.00 N ATOM 658 CA SER A 44 3.872 -12.987 10.200 1.00 0.00 C ATOM 659 C SER A 44 5.307 -13.501 10.268 1.00 0.00 C ATOM 660 O SER A 44 5.908 -13.554 11.340 1.00 0.00 O ATOM 661 CB SER A 44 2.901 -14.164 10.088 1.00 0.00 C ATOM 662 OG SER A 44 1.667 -13.870 10.719 1.00 0.00 O ATOM 0 H SER A 44 2.788 -12.143 8.615 1.00 0.00 H new ATOM 0 HA SER A 44 3.659 -12.435 11.115 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.729 -14.399 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.344 -15.049 10.544 1.00 0.00 H new ATOM 0 HG SER A 44 1.064 -14.637 10.632 1.00 0.00 H new ATOM 668 N ALA A 45 5.849 -13.877 9.115 1.00 0.00 N ATOM 669 CA ALA A 45 7.213 -14.385 9.042 1.00 0.00 C ATOM 670 C ALA A 45 8.112 -13.435 8.258 1.00 0.00 C ATOM 671 O ALA A 45 7.632 -12.504 7.611 1.00 0.00 O ATOM 672 CB ALA A 45 7.228 -15.770 8.411 1.00 0.00 C ATOM 0 H ALA A 45 5.364 -13.839 8.218 1.00 0.00 H new ATOM 0 HA ALA A 45 7.602 -14.456 10.058 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.253 -16.137 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.627 -16.451 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.815 -15.715 7.404 1.00 0.00 H new ATOM 678 N ALA A 46 9.417 -13.675 8.320 1.00 0.00 N ATOM 679 CA ALA A 46 10.382 -12.841 7.615 1.00 0.00 C ATOM 680 C ALA A 46 10.037 -12.735 6.133 1.00 0.00 C ATOM 681 O ALA A 46 9.240 -13.517 5.614 1.00 0.00 O ATOM 682 CB ALA A 46 11.788 -13.395 7.792 1.00 0.00 C ATOM 0 H ALA A 46 9.831 -14.441 8.852 1.00 0.00 H new ATOM 0 HA ALA A 46 10.341 -11.840 8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.498 -12.762 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.041 -13.413 8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.833 -14.408 7.391 1.00 0.00 H new ATOM 688 N ASP A 47 10.640 -11.763 5.458 1.00 0.00 N ATOM 689 CA ASP A 47 10.396 -11.555 4.035 1.00 0.00 C ATOM 690 C ASP A 47 11.171 -12.567 3.197 1.00 0.00 C ATOM 691 O ASP A 47 12.001 -12.196 2.366 1.00 0.00 O ATOM 692 CB ASP A 47 10.788 -10.133 3.631 1.00 0.00 C ATOM 693 CG ASP A 47 12.258 -9.848 3.869 1.00 0.00 C ATOM 694 OD1 ASP A 47 12.711 -9.990 5.024 1.00 0.00 O ATOM 695 OD2 ASP A 47 12.955 -9.484 2.899 1.00 0.00 O ATOM 0 H ASP A 47 11.301 -11.107 5.873 1.00 0.00 H new ATOM 0 HA ASP A 47 9.331 -11.696 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.558 -9.981 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.187 -9.419 4.194 1.00 0.00 H new ATOM 700 N LYS A 48 10.897 -13.847 3.422 1.00 0.00 N ATOM 701 CA LYS A 48 11.567 -14.914 2.689 1.00 0.00 C ATOM 702 C LYS A 48 10.734 -15.359 1.491 1.00 0.00 C ATOM 703 O LYS A 48 9.569 -14.982 1.360 1.00 0.00 O ATOM 704 CB LYS A 48 11.831 -16.107 3.610 1.00 0.00 C ATOM 705 CG LYS A 48 13.033 -16.940 3.198 1.00 0.00 C ATOM 706 CD LYS A 48 13.408 -17.947 4.273 1.00 0.00 C ATOM 707 CE LYS A 48 12.689 -19.272 4.071 1.00 0.00 C ATOM 708 NZ LYS A 48 11.340 -19.272 4.703 1.00 0.00 N ATOM 0 H LYS A 48 10.214 -14.171 4.107 1.00 0.00 H new ATOM 0 HA LYS A 48 12.518 -14.527 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.983 -15.744 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.947 -16.744 3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.812 -17.464 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.881 -16.284 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.486 -18.111 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.159 -17.543 5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.590 -19.473 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.288 -20.079 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.945 -20.234 4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.419 -18.956 5.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.713 -18.626 4.182 1.00 0.00 H new ATOM 722 N MET A 49 11.337 -16.163 0.621 1.00 0.00 N ATOM 723 CA MET A 49 10.648 -16.660 -0.564 1.00 0.00 C ATOM 724 C MET A 49 9.333 -17.334 -0.185 1.00 0.00 C ATOM 725 O MET A 49 8.464 -17.543 -1.032 1.00 0.00 O ATOM 726 CB MET A 49 11.540 -17.645 -1.322 1.00 0.00 C ATOM 727 CG MET A 49 11.766 -18.953 -0.583 1.00 0.00 C ATOM 728 SD MET A 49 13.334 -19.732 -1.014 1.00 0.00 S ATOM 729 CE MET A 49 14.497 -18.578 -0.291 1.00 0.00 C ATOM 0 H MET A 49 12.301 -16.484 0.714 1.00 0.00 H new ATOM 0 HA MET A 49 10.427 -15.810 -1.210 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.090 -17.858 -2.292 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.504 -17.175 -1.515 1.00 0.00 H new ATOM 0 HG2 MET A 49 11.740 -18.768 0.491 1.00 0.00 H new ATOM 0 HG3 MET A 49 10.950 -19.639 -0.809 1.00 0.00 H new ATOM 0 HE1 MET A 49 15.083 -18.108 -1.081 1.00 0.00 H new ATOM 0 HE2 MET A 49 13.953 -17.812 0.262 1.00 0.00 H new ATOM 0 HE3 MET A 49 15.164 -19.110 0.387 1.00 0.00 H new ATOM 739 N LYS A 50 9.193 -17.674 1.092 1.00 0.00 N ATOM 740 CA LYS A 50 7.984 -18.324 1.583 1.00 0.00 C ATOM 741 C LYS A 50 7.122 -17.344 2.373 1.00 0.00 C ATOM 742 O LYS A 50 6.313 -17.747 3.207 1.00 0.00 O ATOM 743 CB LYS A 50 8.347 -19.523 2.462 1.00 0.00 C ATOM 744 CG LYS A 50 8.898 -20.704 1.682 1.00 0.00 C ATOM 745 CD LYS A 50 9.262 -21.858 2.601 1.00 0.00 C ATOM 746 CE LYS A 50 8.077 -22.784 2.829 1.00 0.00 C ATOM 747 NZ LYS A 50 8.510 -24.181 3.107 1.00 0.00 N ATOM 0 H LYS A 50 9.903 -17.510 1.806 1.00 0.00 H new ATOM 0 HA LYS A 50 7.413 -18.671 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.084 -19.211 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.461 -19.842 3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.159 -21.037 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.779 -20.392 1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.088 -22.422 2.168 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.609 -21.467 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.483 -22.415 3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.432 -22.772 1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.673 -24.780 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.055 -24.543 2.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.104 -24.197 3.960 1.00 0.00 H new ATOM 761 N ASN A 51 7.302 -16.055 2.103 1.00 0.00 N ATOM 762 CA ASN A 51 6.539 -15.017 2.789 1.00 0.00 C ATOM 763 C ASN A 51 5.134 -14.900 2.206 1.00 0.00 C ATOM 764 O ASN A 51 4.815 -15.531 1.198 1.00 0.00 O ATOM 765 CB ASN A 51 7.260 -13.672 2.684 1.00 0.00 C ATOM 766 CG ASN A 51 6.672 -12.627 3.612 1.00 0.00 C ATOM 767 OD1 ASN A 51 6.109 -11.628 3.162 1.00 0.00 O ATOM 768 ND2 ASN A 51 6.800 -12.852 4.914 1.00 0.00 N ATOM 0 H ASN A 51 7.968 -15.704 1.415 1.00 0.00 H new ATOM 0 HA ASN A 51 6.456 -15.296 3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.316 -13.809 2.918 1.00 0.00 H new ATOM 0 HB3 ASN A 51 7.206 -13.313 1.656 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.424 -12.183 5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.274 -13.693 5.242 1.00 0.00 H new ATOM 775 N ARG A 52 4.299 -14.089 2.847 1.00 0.00 N ATOM 776 CA ARG A 52 2.928 -13.889 2.392 1.00 0.00 C ATOM 777 C ARG A 52 2.901 -13.179 1.042 1.00 0.00 C ATOM 778 O ARG A 52 3.829 -12.451 0.693 1.00 0.00 O ATOM 779 CB ARG A 52 2.140 -13.079 3.423 1.00 0.00 C ATOM 780 CG ARG A 52 1.446 -13.936 4.469 1.00 0.00 C ATOM 781 CD ARG A 52 0.041 -14.321 4.031 1.00 0.00 C ATOM 782 NE ARG A 52 0.031 -15.554 3.247 1.00 0.00 N ATOM 783 CZ ARG A 52 -1.073 -16.097 2.746 1.00 0.00 C ATOM 784 NH1 ARG A 52 -2.249 -15.519 2.945 1.00 0.00 N ATOM 785 NH2 ARG A 52 -1.000 -17.220 2.043 1.00 0.00 N ATOM 0 H ARG A 52 4.548 -13.560 3.683 1.00 0.00 H new ATOM 0 HA ARG A 52 2.463 -14.868 2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.817 -12.387 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.393 -12.476 2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.032 -14.837 4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.398 -13.393 5.413 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.592 -14.445 4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.389 -13.512 3.440 1.00 0.00 H new ATOM 0 HE ARG A 52 0.920 -16.023 3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.308 -14.655 3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.095 -15.938 2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.096 -17.666 1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.848 -17.637 1.658 1.00 0.00 H new ATOM 799 N GLY A 53 1.829 -13.396 0.286 1.00 0.00 N ATOM 800 CA GLY A 53 1.701 -12.770 -1.017 1.00 0.00 C ATOM 801 C GLY A 53 1.088 -11.386 -0.937 1.00 0.00 C ATOM 802 O GLY A 53 0.120 -11.087 -1.637 1.00 0.00 O ATOM 0 H GLY A 53 1.047 -13.994 0.553 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.684 -12.702 -1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.087 -13.400 -1.660 1.00 0.00 H new ATOM 806 N PHE A 54 1.651 -10.539 -0.082 1.00 0.00 N ATOM 807 CA PHE A 54 1.152 -9.180 0.089 1.00 0.00 C ATOM 808 C PHE A 54 2.305 -8.187 0.201 1.00 0.00 C ATOM 809 O PHE A 54 3.461 -8.578 0.361 1.00 0.00 O ATOM 810 CB PHE A 54 0.265 -9.091 1.333 1.00 0.00 C ATOM 811 CG PHE A 54 0.277 -7.737 1.982 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.397 -7.291 2.665 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.832 -6.910 1.909 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.410 -6.046 3.264 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.825 -5.663 2.506 1.00 0.00 C ATOM 816 CZ PHE A 54 0.298 -5.230 3.184 1.00 0.00 C ATOM 0 H PHE A 54 2.454 -10.770 0.504 1.00 0.00 H new ATOM 0 HA PHE A 54 0.560 -8.925 -0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.759 -9.344 1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.594 -9.836 2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.270 -7.924 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.712 -7.243 1.380 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.289 -5.711 3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.696 -5.028 2.442 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.307 -4.256 3.650 1.00 0.00 H new ATOM 826 N ALA A 55 1.981 -6.901 0.115 1.00 0.00 N ATOM 827 CA ALA A 55 2.989 -5.852 0.208 1.00 0.00 C ATOM 828 C ALA A 55 2.361 -4.521 0.610 1.00 0.00 C ATOM 829 O ALA A 55 1.189 -4.267 0.329 1.00 0.00 O ATOM 830 CB ALA A 55 3.728 -5.711 -1.114 1.00 0.00 C ATOM 0 H ALA A 55 1.029 -6.561 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 55 3.702 -6.136 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.478 -4.924 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.217 -6.653 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.019 -5.454 -1.901 1.00 0.00 H new ATOM 836 N PHE A 56 3.147 -3.676 1.268 1.00 0.00 N ATOM 837 CA PHE A 56 2.666 -2.372 1.710 1.00 0.00 C ATOM 838 C PHE A 56 3.135 -1.271 0.763 1.00 0.00 C ATOM 839 O PHE A 56 4.274 -1.282 0.295 1.00 0.00 O ATOM 840 CB PHE A 56 3.153 -2.080 3.131 1.00 0.00 C ATOM 841 CG PHE A 56 2.213 -2.564 4.198 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.995 -1.937 4.402 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.549 -3.645 4.996 1.00 0.00 C ATOM 844 CE1 PHE A 56 0.127 -2.380 5.383 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.686 -4.093 5.978 1.00 0.00 C ATOM 846 CZ PHE A 56 0.474 -3.459 6.173 1.00 0.00 C ATOM 0 H PHE A 56 4.119 -3.870 1.507 1.00 0.00 H new ATOM 0 HA PHE A 56 1.576 -2.393 1.704 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.127 -2.548 3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.296 -1.005 3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.720 -1.092 3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.496 -4.143 4.849 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.821 -1.883 5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.959 -4.938 6.593 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.201 -3.806 6.941 1.00 0.00 H new ATOM 856 N VAL A 57 2.248 -0.321 0.485 1.00 0.00 N ATOM 857 CA VAL A 57 2.570 0.789 -0.405 1.00 0.00 C ATOM 858 C VAL A 57 2.317 2.130 0.274 1.00 0.00 C ATOM 859 O VAL A 57 1.178 2.586 0.363 1.00 0.00 O ATOM 860 CB VAL A 57 1.747 0.721 -1.706 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.435 1.504 -2.814 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.525 -0.725 -2.121 1.00 0.00 C ATOM 0 H VAL A 57 1.301 -0.297 0.863 1.00 0.00 H new ATOM 0 HA VAL A 57 3.629 0.703 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 57 0.773 1.175 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.840 1.445 -3.725 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.536 2.547 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.423 1.082 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.942 -0.754 -3.042 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.488 -1.208 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.985 -1.251 -1.333 1.00 0.00 H new ATOM 872 N GLU A 58 3.388 2.756 0.752 1.00 0.00 N ATOM 873 CA GLU A 58 3.281 4.045 1.425 1.00 0.00 C ATOM 874 C GLU A 58 3.262 5.187 0.412 1.00 0.00 C ATOM 875 O GLU A 58 4.041 5.198 -0.541 1.00 0.00 O ATOM 876 CB GLU A 58 4.444 4.234 2.401 1.00 0.00 C ATOM 877 CG GLU A 58 4.139 5.206 3.529 1.00 0.00 C ATOM 878 CD GLU A 58 5.376 5.932 4.023 1.00 0.00 C ATOM 879 OE1 GLU A 58 6.305 5.257 4.514 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.414 7.176 3.918 1.00 0.00 O ATOM 0 H GLU A 58 4.338 2.392 0.686 1.00 0.00 H new ATOM 0 HA GLU A 58 2.344 4.059 1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.710 3.267 2.828 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.315 4.590 1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.406 5.936 3.186 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.685 4.664 4.358 1.00 0.00 H new ATOM 887 N TYR A 59 2.367 6.145 0.627 1.00 0.00 N ATOM 888 CA TYR A 59 2.244 7.290 -0.268 1.00 0.00 C ATOM 889 C TYR A 59 2.498 8.595 0.479 1.00 0.00 C ATOM 890 O TYR A 59 2.014 8.788 1.594 1.00 0.00 O ATOM 891 CB TYR A 59 0.854 7.317 -0.907 1.00 0.00 C ATOM 892 CG TYR A 59 0.586 6.145 -1.824 1.00 0.00 C ATOM 893 CD1 TYR A 59 0.249 4.899 -1.311 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.669 6.285 -3.204 1.00 0.00 C ATOM 895 CE1 TYR A 59 0.004 3.825 -2.145 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.425 5.217 -4.046 1.00 0.00 C ATOM 897 CZ TYR A 59 0.093 3.990 -3.512 1.00 0.00 C ATOM 898 OH TYR A 59 -0.151 2.923 -4.346 1.00 0.00 O ATOM 0 H TYR A 59 1.716 6.152 1.413 1.00 0.00 H new ATOM 0 HA TYR A 59 2.995 7.189 -1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.101 7.330 -0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.741 8.243 -1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.177 4.767 -0.241 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.929 7.245 -3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.256 2.862 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.494 5.343 -5.116 1.00 0.00 H new ATOM 0 HH TYR A 59 0.378 3.020 -5.165 1.00 0.00 H new ATOM 908 N GLU A 60 3.260 9.488 -0.144 1.00 0.00 N ATOM 909 CA GLU A 60 3.579 10.775 0.462 1.00 0.00 C ATOM 910 C GLU A 60 2.307 11.525 0.848 1.00 0.00 C ATOM 911 O GLU A 60 2.199 12.057 1.953 1.00 0.00 O ATOM 912 CB GLU A 60 4.412 11.625 -0.501 1.00 0.00 C ATOM 913 CG GLU A 60 3.731 11.876 -1.836 1.00 0.00 C ATOM 914 CD GLU A 60 4.594 12.682 -2.788 1.00 0.00 C ATOM 915 OE1 GLU A 60 5.283 13.612 -2.320 1.00 0.00 O ATOM 916 OE2 GLU A 60 4.580 12.383 -4.000 1.00 0.00 O ATOM 0 H GLU A 60 3.668 9.344 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 60 4.159 10.588 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.632 12.583 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.367 11.129 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.482 10.921 -2.298 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.792 12.403 -1.667 1.00 0.00 H new ATOM 923 N SER A 61 1.347 11.562 -0.071 1.00 0.00 N ATOM 924 CA SER A 61 0.084 12.250 0.171 1.00 0.00 C ATOM 925 C SER A 61 -1.043 11.249 0.403 1.00 0.00 C ATOM 926 O SER A 61 -1.323 10.403 -0.447 1.00 0.00 O ATOM 927 CB SER A 61 -0.260 13.159 -1.010 1.00 0.00 C ATOM 928 OG SER A 61 -0.679 12.401 -2.132 1.00 0.00 O ATOM 0 H SER A 61 1.420 11.124 -0.989 1.00 0.00 H new ATOM 0 HA SER A 61 0.196 12.859 1.068 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.049 13.853 -0.721 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.610 13.759 -1.277 1.00 0.00 H new ATOM 0 HG SER A 61 -0.895 13.005 -2.873 1.00 0.00 H new ATOM 934 N HIS A 62 -1.689 11.352 1.561 1.00 0.00 N ATOM 935 CA HIS A 62 -2.787 10.456 1.906 1.00 0.00 C ATOM 936 C HIS A 62 -3.762 10.317 0.740 1.00 0.00 C ATOM 937 O HIS A 62 -4.478 9.322 0.633 1.00 0.00 O ATOM 938 CB HIS A 62 -3.523 10.971 3.143 1.00 0.00 C ATOM 939 CG HIS A 62 -4.936 10.484 3.245 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.287 9.326 3.907 1.00 0.00 N ATOM 941 CD2 HIS A 62 -6.089 11.006 2.766 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.594 9.157 3.829 1.00 0.00 C ATOM 943 NE2 HIS A 62 -7.105 10.162 3.143 1.00 0.00 N ATOM 0 H HIS A 62 -1.471 12.047 2.275 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.367 9.474 2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.976 10.664 4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.523 12.061 3.128 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.191 11.916 2.194 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.151 8.335 4.255 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.094 10.291 2.928 1.00 0.00 H new ATOM 951 N ARG A 63 -3.784 11.322 -0.129 1.00 0.00 N ATOM 952 CA ARG A 63 -4.672 11.313 -1.285 1.00 0.00 C ATOM 953 C ARG A 63 -4.148 10.371 -2.365 1.00 0.00 C ATOM 954 O ARG A 63 -4.908 9.601 -2.953 1.00 0.00 O ATOM 955 CB ARG A 63 -4.819 12.726 -1.854 1.00 0.00 C ATOM 956 CG ARG A 63 -5.496 12.767 -3.214 1.00 0.00 C ATOM 957 CD ARG A 63 -7.009 12.677 -3.086 1.00 0.00 C ATOM 958 NE ARG A 63 -7.580 13.880 -2.486 1.00 0.00 N ATOM 959 CZ ARG A 63 -8.879 14.158 -2.490 1.00 0.00 C ATOM 960 NH1 ARG A 63 -9.737 13.322 -3.059 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.322 15.273 -1.923 1.00 0.00 N ATOM 0 H ARG A 63 -3.197 12.153 -0.054 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.649 10.957 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.393 13.333 -1.153 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.832 13.181 -1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.227 13.690 -3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.132 11.943 -3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -7.447 12.520 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.271 11.810 -2.479 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.947 14.543 -2.039 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -9.400 12.464 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.734 13.537 -3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.665 15.918 -1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.320 15.485 -1.927 1.00 0.00 H new ATOM 975 N ALA A 64 -2.846 10.438 -2.621 1.00 0.00 N ATOM 976 CA ALA A 64 -2.221 9.590 -3.629 1.00 0.00 C ATOM 977 C ALA A 64 -2.618 8.130 -3.442 1.00 0.00 C ATOM 978 O ALA A 64 -2.704 7.372 -4.407 1.00 0.00 O ATOM 979 CB ALA A 64 -0.707 9.738 -3.577 1.00 0.00 C ATOM 0 H ALA A 64 -2.203 11.071 -2.144 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.574 9.912 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.253 9.099 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.436 10.776 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.346 9.444 -2.591 1.00 0.00 H new ATOM 985 N ALA A 65 -2.860 7.743 -2.194 1.00 0.00 N ATOM 986 CA ALA A 65 -3.250 6.374 -1.881 1.00 0.00 C ATOM 987 C ALA A 65 -4.745 6.167 -2.093 1.00 0.00 C ATOM 988 O ALA A 65 -5.170 5.145 -2.631 1.00 0.00 O ATOM 989 CB ALA A 65 -2.865 6.029 -0.449 1.00 0.00 C ATOM 0 H ALA A 65 -2.793 8.358 -1.383 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.718 5.707 -2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.162 5.004 -0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.786 6.128 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.370 6.708 0.237 1.00 0.00 H new ATOM 995 N ALA A 66 -5.540 7.143 -1.665 1.00 0.00 N ATOM 996 CA ALA A 66 -6.988 7.068 -1.809 1.00 0.00 C ATOM 997 C ALA A 66 -7.387 6.923 -3.274 1.00 0.00 C ATOM 998 O ALA A 66 -8.200 6.067 -3.624 1.00 0.00 O ATOM 999 CB ALA A 66 -7.643 8.299 -1.202 1.00 0.00 C ATOM 0 H ALA A 66 -5.205 7.995 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.336 6.184 -1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.725 8.230 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.394 8.359 -0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.281 9.192 -1.711 1.00 0.00 H new ATOM 1005 N MET A 67 -6.810 7.764 -4.126 1.00 0.00 N ATOM 1006 CA MET A 67 -7.106 7.728 -5.553 1.00 0.00 C ATOM 1007 C MET A 67 -6.413 6.546 -6.223 1.00 0.00 C ATOM 1008 O MET A 67 -6.898 6.013 -7.220 1.00 0.00 O ATOM 1009 CB MET A 67 -6.669 9.034 -6.220 1.00 0.00 C ATOM 1010 CG MET A 67 -5.193 9.347 -6.034 1.00 0.00 C ATOM 1011 SD MET A 67 -4.506 10.295 -7.406 1.00 0.00 S ATOM 1012 CE MET A 67 -3.956 11.772 -6.555 1.00 0.00 C ATOM 0 H MET A 67 -6.135 8.478 -3.853 1.00 0.00 H new ATOM 0 HA MET A 67 -8.183 7.610 -5.671 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.889 8.979 -7.286 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.260 9.855 -5.814 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.058 9.906 -5.108 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.638 8.415 -5.928 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.104 12.200 -7.083 1.00 0.00 H new ATOM 0 HE2 MET A 67 -4.768 12.499 -6.526 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.661 11.517 -5.537 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.275 6.141 -5.668 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.516 5.021 -6.210 1.00 0.00 C ATOM 1024 C ALA A 68 -5.296 3.717 -6.083 1.00 0.00 C ATOM 1025 O ALA A 68 -5.492 3.001 -7.065 1.00 0.00 O ATOM 1026 CB ALA A 68 -3.172 4.905 -5.508 1.00 0.00 C ATOM 0 H ALA A 68 -4.859 6.572 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.344 5.209 -7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.616 4.064 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.604 5.824 -5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.331 4.744 -4.442 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.738 3.413 -4.867 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.496 2.194 -4.611 1.00 0.00 C ATOM 1034 C ARG A 69 -7.747 2.138 -5.483 1.00 0.00 C ATOM 1035 O ARG A 69 -8.110 1.080 -5.998 1.00 0.00 O ATOM 1036 CB ARG A 69 -6.886 2.110 -3.135 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.864 3.190 -2.701 1.00 0.00 C ATOM 1038 CD ARG A 69 -8.307 2.994 -1.260 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.473 2.121 -1.159 1.00 0.00 N ATOM 1040 CZ ARG A 69 -10.678 2.449 -1.612 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -10.874 3.624 -2.194 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.690 1.600 -1.484 1.00 0.00 N ATOM 0 H ARG A 69 -5.584 3.994 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.862 1.343 -4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.327 1.133 -2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.985 2.181 -2.525 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.398 4.169 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.735 3.178 -3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.485 2.569 -0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.540 3.963 -0.818 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.356 1.209 -0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -10.098 4.279 -2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.800 3.873 -2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.543 0.695 -1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.615 1.853 -1.832 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.402 3.283 -5.643 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.613 3.364 -6.451 1.00 0.00 C ATOM 1058 C ARG A 70 -9.322 3.003 -7.904 1.00 0.00 C ATOM 1059 O ARG A 70 -10.238 2.852 -8.713 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.210 4.771 -6.373 1.00 0.00 C ATOM 1061 CG ARG A 70 -10.996 5.168 -7.612 1.00 0.00 C ATOM 1062 CD ARG A 70 -11.471 6.610 -7.532 1.00 0.00 C ATOM 1063 NE ARG A 70 -12.561 6.774 -6.574 1.00 0.00 N ATOM 1064 CZ ARG A 70 -12.374 6.962 -5.272 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -11.145 7.010 -4.776 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -13.416 7.103 -4.464 1.00 0.00 N ATOM 0 H ARG A 70 -8.115 4.167 -5.224 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.333 2.648 -6.054 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.864 4.831 -5.503 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.406 5.490 -6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.373 5.038 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.855 4.507 -7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.637 7.251 -7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.802 6.938 -8.517 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.519 6.742 -6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.341 6.903 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.004 7.154 -3.776 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -14.363 7.067 -4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.271 7.247 -3.465 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.041 2.865 -8.230 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.628 2.521 -9.585 1.00 0.00 C ATOM 1082 C LYS A 71 -7.298 1.036 -9.692 1.00 0.00 C ATOM 1083 O LYS A 71 -7.380 0.448 -10.772 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.414 3.355 -9.998 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.863 2.992 -11.366 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.577 3.744 -11.667 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.946 3.271 -12.967 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.973 4.262 -13.505 1.00 0.00 N ATOM 0 H LYS A 71 -7.270 2.986 -7.573 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.457 2.741 -10.258 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.690 4.409 -9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.627 3.229 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.677 1.919 -11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.606 3.219 -12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.785 4.812 -11.730 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.872 3.604 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.441 2.320 -12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.727 3.092 -13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.565 3.902 -14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.460 5.162 -13.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.213 4.414 -12.811 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.927 0.434 -8.568 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.587 -0.984 -8.535 1.00 0.00 C ATOM 1104 C LEU A 72 -7.617 -1.773 -7.733 1.00 0.00 C ATOM 1105 O LEU A 72 -7.490 -2.985 -7.564 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.195 -1.181 -7.933 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.172 -0.084 -8.234 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -3.098 -0.045 -7.158 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.548 -0.300 -9.605 1.00 0.00 C ATOM 0 H LEU A 72 -6.854 0.906 -7.667 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.589 -1.356 -9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.298 -1.267 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.797 -2.130 -8.292 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.688 0.876 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.380 0.741 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.559 0.157 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.585 -1.006 -7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.823 0.489 -9.803 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.047 -1.268 -9.628 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.327 -0.276 -10.367 1.00 0.00 H new ATOM 1121 N MET A 73 -8.637 -1.077 -7.243 1.00 0.00 N ATOM 1122 CA MET A 73 -9.691 -1.714 -6.461 1.00 0.00 C ATOM 1123 C MET A 73 -10.400 -2.788 -7.279 1.00 0.00 C ATOM 1124 O MET A 73 -10.545 -3.933 -6.851 1.00 0.00 O ATOM 1125 CB MET A 73 -10.702 -0.670 -5.982 1.00 0.00 C ATOM 1126 CG MET A 73 -11.246 -0.945 -4.590 1.00 0.00 C ATOM 1127 SD MET A 73 -12.141 -2.507 -4.490 1.00 0.00 S ATOM 1128 CE MET A 73 -10.936 -3.535 -3.654 1.00 0.00 C ATOM 0 H MET A 73 -8.757 -0.072 -7.373 1.00 0.00 H new ATOM 0 HA MET A 73 -9.231 -2.187 -5.594 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.230 0.312 -5.991 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.533 -0.631 -6.687 1.00 0.00 H new ATOM 0 HG2 MET A 73 -10.421 -0.957 -3.878 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.909 -0.131 -4.296 1.00 0.00 H new ATOM 0 HE1 MET A 73 -11.397 -4.483 -3.376 1.00 0.00 H new ATOM 0 HE2 MET A 73 -10.093 -3.722 -4.320 1.00 0.00 H new ATOM 0 HE3 MET A 73 -10.583 -3.026 -2.757 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.855 -2.413 -8.484 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.557 -3.330 -9.386 1.00 0.00 C ATOM 1140 C PRO A 74 -10.633 -4.399 -9.959 1.00 0.00 C ATOM 1141 O PRO A 74 -11.069 -5.277 -10.703 1.00 0.00 O ATOM 1142 CB PRO A 74 -12.066 -2.411 -10.500 1.00 0.00 C ATOM 1143 CG PRO A 74 -11.132 -1.251 -10.491 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.717 -1.064 -9.058 1.00 0.00 C ATOM 0 HA PRO A 74 -12.346 -3.881 -8.874 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -12.059 -2.917 -11.465 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.092 -2.094 -10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.267 -1.442 -11.126 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.619 -0.355 -10.876 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.693 -0.697 -8.981 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.354 -0.342 -8.546 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.353 -4.320 -9.607 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.388 -5.288 -10.095 1.00 0.00 C ATOM 1154 C GLY A 75 -8.168 -5.183 -11.591 1.00 0.00 C ATOM 1155 O GLY A 75 -7.843 -6.172 -12.248 1.00 0.00 O ATOM 0 H GLY A 75 -8.967 -3.603 -8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.439 -5.141 -9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.731 -6.293 -9.851 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.348 -3.982 -12.131 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.170 -3.753 -13.560 1.00 0.00 C ATOM 1161 C ARG A 76 -6.703 -3.895 -13.955 1.00 0.00 C ATOM 1162 O ARG A 76 -6.387 -4.332 -15.062 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.679 -2.362 -13.942 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.195 -2.247 -13.941 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.790 -2.712 -15.260 1.00 0.00 C ATOM 1166 NE ARG A 76 -10.380 -1.862 -16.375 1.00 0.00 N ATOM 1167 CZ ARG A 76 -11.052 -1.775 -17.518 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -12.159 -2.481 -17.696 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -10.615 -0.979 -18.486 1.00 0.00 N ATOM 0 H ARG A 76 -8.617 -3.153 -11.601 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.748 -4.505 -14.098 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.267 -1.630 -13.247 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.304 -2.107 -14.933 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.606 -2.842 -13.126 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.482 -1.212 -13.756 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.482 -3.739 -15.455 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.878 -2.714 -15.186 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.532 -1.305 -16.270 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.498 -3.094 -16.954 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.672 -2.412 -18.575 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.763 -0.434 -18.353 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.131 -0.912 -19.363 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.811 -3.524 -13.042 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.378 -3.611 -13.295 1.00 0.00 C ATOM 1185 C ILE A 77 -3.780 -4.854 -12.645 1.00 0.00 C ATOM 1186 O ILE A 77 -4.107 -5.189 -11.507 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.638 -2.365 -12.773 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.112 -1.115 -13.517 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.134 -2.541 -12.925 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.281 -0.423 -12.852 1.00 0.00 C ATOM 0 H ILE A 77 -6.056 -3.160 -12.121 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.251 -3.673 -14.376 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.865 -2.242 -11.714 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.282 -0.413 -13.597 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.394 -1.392 -14.533 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.624 -1.653 -12.552 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.810 -3.412 -12.355 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.889 -2.685 -13.977 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.563 0.454 -13.434 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.126 -1.109 -12.796 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.997 -0.115 -11.846 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.900 -5.531 -13.375 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.255 -6.737 -12.869 1.00 0.00 C ATOM 1204 C GLN A 78 -0.743 -6.549 -12.781 1.00 0.00 C ATOM 1205 O GLN A 78 -0.131 -5.936 -13.656 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.581 -7.931 -13.767 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.068 -8.232 -13.862 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.352 -9.559 -14.538 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -4.114 -9.724 -15.734 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -4.865 -10.515 -13.772 1.00 0.00 N ATOM 0 H GLN A 78 -2.617 -5.265 -14.318 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.638 -6.931 -11.867 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.193 -7.739 -14.767 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.064 -8.812 -13.388 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.498 -8.239 -12.861 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.562 -7.433 -14.415 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.047 -10.335 -12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.077 -11.429 -14.171 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.147 -7.081 -11.719 1.00 0.00 N ATOM 1220 CA LEU A 79 1.293 -6.972 -11.516 1.00 0.00 C ATOM 1221 C LEU A 79 1.998 -8.266 -11.910 1.00 0.00 C ATOM 1222 O LEU A 79 1.744 -9.323 -11.332 1.00 0.00 O ATOM 1223 CB LEU A 79 1.598 -6.635 -10.056 1.00 0.00 C ATOM 1224 CG LEU A 79 1.020 -5.319 -9.535 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.183 -5.224 -8.026 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.688 -4.136 -10.221 1.00 0.00 C ATOM 0 H LEU A 79 -0.639 -7.592 -10.986 1.00 0.00 H new ATOM 0 HA LEU A 79 1.665 -6.169 -12.153 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.223 -7.446 -9.431 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.680 -6.609 -9.929 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.045 -5.295 -9.766 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.766 -4.281 -7.674 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.659 -6.053 -7.550 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.242 -5.270 -7.771 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.265 -3.207 -9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.759 -4.156 -10.020 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.519 -4.196 -11.296 1.00 0.00 H new ATOM 1238 N TRP A 80 2.884 -8.175 -12.895 1.00 0.00 N ATOM 1239 CA TRP A 80 3.628 -9.339 -13.364 1.00 0.00 C ATOM 1240 C TRP A 80 2.682 -10.413 -13.890 1.00 0.00 C ATOM 1241 O TRP A 80 2.933 -11.606 -13.731 1.00 0.00 O ATOM 1242 CB TRP A 80 4.489 -9.908 -12.236 1.00 0.00 C ATOM 1243 CG TRP A 80 5.270 -8.862 -11.498 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.423 -8.258 -11.910 1.00 0.00 C ATOM 1245 CD2 TRP A 80 4.954 -8.300 -10.220 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.844 -7.354 -10.965 1.00 0.00 N ATOM 1247 CE2 TRP A 80 5.959 -7.360 -9.919 1.00 0.00 C ATOM 1248 CE3 TRP A 80 3.919 -8.496 -9.302 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 5.958 -6.622 -8.739 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 3.920 -7.763 -8.131 1.00 0.00 C ATOM 1251 CH2 TRP A 80 4.933 -6.835 -7.857 1.00 0.00 C ATOM 0 H TRP A 80 3.105 -7.308 -13.384 1.00 0.00 H new ATOM 0 HA TRP A 80 4.276 -9.021 -14.180 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.848 -10.437 -11.531 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.180 -10.642 -12.651 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.930 -8.461 -12.842 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.680 -6.773 -11.031 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.132 -9.208 -9.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.739 -5.906 -8.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.126 -7.908 -7.414 1.00 0.00 H new ATOM 0 HH2 TRP A 80 4.905 -6.277 -6.933 1.00 0.00 H new ATOM 1262 N GLY A 81 1.592 -9.980 -14.518 1.00 0.00 N ATOM 1263 CA GLY A 81 0.626 -10.919 -15.058 1.00 0.00 C ATOM 1264 C GLY A 81 -0.241 -11.541 -13.981 1.00 0.00 C ATOM 1265 O GLY A 81 -1.087 -12.389 -14.269 1.00 0.00 O ATOM 0 H GLY A 81 1.361 -8.997 -14.662 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.009 -10.407 -15.781 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.152 -11.707 -15.597 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.031 -11.122 -12.738 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.800 -11.645 -11.614 1.00 0.00 C ATOM 1271 C HIS A 82 -1.772 -10.594 -11.085 1.00 0.00 C ATOM 1272 O HIS A 82 -1.423 -9.421 -10.960 1.00 0.00 O ATOM 1273 CB HIS A 82 0.138 -12.099 -10.495 1.00 0.00 C ATOM 1274 CG HIS A 82 1.069 -13.199 -10.903 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.678 -14.043 -9.998 1.00 0.00 N ATOM 1276 CD2 HIS A 82 1.492 -13.592 -12.127 1.00 0.00 C ATOM 1277 CE1 HIS A 82 2.438 -14.907 -10.649 1.00 0.00 C ATOM 1278 NE2 HIS A 82 2.342 -14.655 -11.942 1.00 0.00 N ATOM 0 H HIS A 82 0.665 -10.422 -12.483 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.375 -12.502 -11.966 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.724 -11.245 -10.155 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.458 -12.435 -9.646 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.213 -13.152 -13.073 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.036 -15.686 -10.200 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.821 -15.167 -12.683 1.00 0.00 H new ATOM 1286 N GLN A 83 -2.991 -11.025 -10.777 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.013 -10.121 -10.263 1.00 0.00 C ATOM 1288 C GLN A 83 -3.655 -9.635 -8.863 1.00 0.00 C ATOM 1289 O GLN A 83 -2.932 -10.308 -8.128 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.375 -10.816 -10.242 1.00 0.00 C ATOM 1291 CG GLN A 83 -5.684 -11.510 -8.925 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.025 -12.217 -8.938 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -8.030 -11.675 -8.477 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -7.048 -13.434 -9.468 1.00 0.00 N ATOM 0 H GLN A 83 -3.295 -11.994 -10.874 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.065 -9.257 -10.926 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.152 -10.080 -10.446 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.412 -11.550 -11.047 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.898 -12.233 -8.707 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.673 -10.775 -8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.191 -13.845 -9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -7.922 -13.958 -9.505 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.166 -8.463 -8.501 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.900 -7.887 -7.188 1.00 0.00 C ATOM 1305 C ILE A 84 -5.119 -7.141 -6.658 1.00 0.00 C ATOM 1306 O ILE A 84 -5.977 -6.707 -7.427 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.699 -6.924 -7.228 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.800 -5.999 -8.443 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.394 -7.705 -7.257 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.553 -4.717 -8.165 1.00 0.00 C ATOM 0 H ILE A 84 -4.766 -7.894 -9.098 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.667 -8.717 -6.521 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.713 -6.312 -6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.795 -5.753 -8.787 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.294 -6.532 -9.255 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.555 -7.010 -7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.321 -8.326 -6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.369 -8.340 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.585 -4.110 -9.070 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.569 -4.953 -7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.048 -4.162 -7.374 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.189 -6.993 -5.339 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.301 -6.295 -4.706 1.00 0.00 C ATOM 1324 C ALA A 85 -5.801 -5.193 -3.779 1.00 0.00 C ATOM 1325 O ALA A 85 -4.838 -5.382 -3.036 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.173 -7.278 -3.939 1.00 0.00 C ATOM 0 H ALA A 85 -4.488 -7.347 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.899 -5.830 -5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.000 -6.743 -3.471 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.568 -8.027 -4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.577 -7.769 -3.170 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.461 -4.040 -3.827 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.084 -2.907 -2.991 1.00 0.00 C ATOM 1334 C VAL A 86 -7.164 -2.601 -1.960 1.00 0.00 C ATOM 1335 O VAL A 86 -8.302 -2.289 -2.312 1.00 0.00 O ATOM 1336 CB VAL A 86 -5.825 -1.647 -3.837 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.549 -1.802 -4.650 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.013 -1.360 -4.743 1.00 0.00 C ATOM 0 H VAL A 86 -7.260 -3.866 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.164 -3.185 -2.477 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.697 -0.799 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.383 -0.902 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.705 -1.955 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.643 -2.661 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.813 -0.466 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.175 -2.207 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.904 -1.201 -4.135 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.801 -2.692 -0.685 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.739 -2.423 0.398 1.00 0.00 C ATOM 1350 C ASP A 87 -7.191 -1.354 1.338 1.00 0.00 C ATOM 1351 O ASP A 87 -5.995 -1.064 1.334 1.00 0.00 O ATOM 1352 CB ASP A 87 -8.031 -3.705 1.179 1.00 0.00 C ATOM 1353 CG ASP A 87 -8.772 -3.439 2.474 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -8.151 -2.894 3.411 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -9.972 -3.774 2.551 1.00 0.00 O ATOM 0 H ASP A 87 -5.864 -2.950 -0.377 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.666 -2.055 -0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.622 -4.379 0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.093 -4.214 1.399 1.00 0.00 H new ATOM 1360 N TRP A 88 -8.074 -0.771 2.141 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.679 0.267 3.086 1.00 0.00 C ATOM 1362 C TRP A 88 -6.979 -0.338 4.298 1.00 0.00 C ATOM 1363 O TRP A 88 -7.627 -0.871 5.198 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.901 1.069 3.535 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.194 2.248 2.656 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.333 2.470 1.936 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.334 3.364 2.405 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.232 3.657 1.251 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.015 4.225 1.522 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.054 3.721 2.840 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.459 5.417 1.068 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.503 4.905 2.388 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.205 5.742 1.510 1.00 0.00 C ATOM 0 H TRP A 88 -9.068 -0.999 2.157 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.980 0.935 2.582 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.771 0.413 3.552 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.743 1.416 4.556 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.187 1.810 1.909 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -10.947 4.051 0.640 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.506 3.083 3.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.998 6.063 0.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.515 5.190 2.717 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.748 6.661 1.176 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.653 -0.252 4.315 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.866 -0.789 5.418 1.00 0.00 C ATOM 1386 C ALA A 89 -5.504 -0.453 6.762 1.00 0.00 C ATOM 1387 O ALA A 89 -6.031 -1.330 7.445 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.442 -0.256 5.359 1.00 0.00 C ATOM 0 H ALA A 89 -5.101 0.185 3.577 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.840 -1.874 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.866 -0.665 6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.982 -0.552 4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.457 0.832 5.430 1.00 0.00 H new ATOM 1394 N GLU A 90 -5.451 0.823 7.134 1.00 0.00 N ATOM 1395 CA GLU A 90 -6.022 1.273 8.398 1.00 0.00 C ATOM 1396 C GLU A 90 -6.519 2.712 8.288 1.00 0.00 C ATOM 1397 O GLU A 90 -5.883 3.570 7.676 1.00 0.00 O ATOM 1398 CB GLU A 90 -4.987 1.163 9.519 1.00 0.00 C ATOM 1399 CG GLU A 90 -5.007 -0.176 10.237 1.00 0.00 C ATOM 1400 CD GLU A 90 -3.651 -0.556 10.800 1.00 0.00 C ATOM 1401 OE1 GLU A 90 -2.683 -0.632 10.015 1.00 0.00 O ATOM 1402 OE2 GLU A 90 -3.559 -0.778 12.025 1.00 0.00 O ATOM 0 H GLU A 90 -5.019 1.562 6.579 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.870 0.631 8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.993 1.327 9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.164 1.957 10.244 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.735 -0.139 11.047 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.339 -0.950 9.545 1.00 0.00 H new ATOM 1409 N PRO A 91 -7.684 2.983 8.895 1.00 0.00 N ATOM 1410 CA PRO A 91 -8.293 4.316 8.880 1.00 0.00 C ATOM 1411 C PRO A 91 -7.510 5.320 9.719 1.00 0.00 C ATOM 1412 O PRO A 91 -7.185 6.411 9.253 1.00 0.00 O ATOM 1413 CB PRO A 91 -9.679 4.080 9.485 1.00 0.00 C ATOM 1414 CG PRO A 91 -9.521 2.866 10.334 1.00 0.00 C ATOM 1415 CD PRO A 91 -8.497 2.008 9.643 1.00 0.00 C ATOM 0 HA PRO A 91 -8.318 4.741 7.877 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -10.004 4.936 10.076 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.428 3.925 8.709 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.193 3.132 11.339 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.468 2.336 10.438 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.895 1.447 10.357 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.964 1.281 8.979 1.00 0.00 H new ATOM 1423 N GLU A 92 -7.211 4.943 10.958 1.00 0.00 N ATOM 1424 CA GLU A 92 -6.466 5.813 11.862 1.00 0.00 C ATOM 1425 C GLU A 92 -5.948 5.030 13.065 1.00 0.00 C ATOM 1426 O GLU A 92 -6.712 4.671 13.961 1.00 0.00 O ATOM 1427 CB GLU A 92 -7.348 6.970 12.334 1.00 0.00 C ATOM 1428 CG GLU A 92 -6.564 8.139 12.906 1.00 0.00 C ATOM 1429 CD GLU A 92 -5.650 8.785 11.883 1.00 0.00 C ATOM 1430 OE1 GLU A 92 -6.169 9.369 10.908 1.00 0.00 O ATOM 1431 OE2 GLU A 92 -4.416 8.708 12.057 1.00 0.00 O ATOM 0 H GLU A 92 -7.473 4.042 11.359 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.612 6.216 11.317 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.950 7.322 11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.040 6.602 13.091 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.260 8.886 13.289 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.970 7.794 13.752 1.00 0.00 H new ATOM 1438 N ILE A 93 -4.645 4.770 13.077 1.00 0.00 N ATOM 1439 CA ILE A 93 -4.024 4.031 14.169 1.00 0.00 C ATOM 1440 C ILE A 93 -3.236 4.962 15.084 1.00 0.00 C ATOM 1441 O ILE A 93 -3.218 6.177 14.885 1.00 0.00 O ATOM 1442 CB ILE A 93 -3.083 2.931 13.642 1.00 0.00 C ATOM 1443 CG1 ILE A 93 -3.555 2.440 12.272 1.00 0.00 C ATOM 1444 CG2 ILE A 93 -3.013 1.776 14.629 1.00 0.00 C ATOM 1445 CD1 ILE A 93 -3.051 3.282 11.121 1.00 0.00 C ATOM 0 H ILE A 93 -3.999 5.060 12.343 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.832 3.566 14.735 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.083 3.350 13.533 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.225 1.411 12.130 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -4.645 2.430 12.254 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.344 1.007 14.242 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.636 2.137 15.586 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.009 1.355 14.767 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -3.425 2.875 10.181 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.403 4.307 11.238 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -1.961 3.272 11.113 1.00 0.00 H new ATOM 1457 N ASP A 94 -2.585 4.384 16.088 1.00 0.00 N ATOM 1458 CA ASP A 94 -1.792 5.162 17.033 1.00 0.00 C ATOM 1459 C ASP A 94 -0.329 5.212 16.603 1.00 0.00 C ATOM 1460 O ASP A 94 0.576 5.182 17.437 1.00 0.00 O ATOM 1461 CB ASP A 94 -1.903 4.565 18.437 1.00 0.00 C ATOM 1462 CG ASP A 94 -3.111 5.084 19.193 1.00 0.00 C ATOM 1463 OD1 ASP A 94 -3.578 6.197 18.871 1.00 0.00 O ATOM 1464 OD2 ASP A 94 -3.588 4.378 20.105 1.00 0.00 O ATOM 0 H ASP A 94 -2.591 3.380 16.268 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.183 6.179 17.047 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -1.963 3.479 18.363 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.999 4.797 19.000 1.00 0.00 H new ATOM 1469 N VAL A 95 -0.104 5.288 15.295 1.00 0.00 N ATOM 1470 CA VAL A 95 1.248 5.343 14.754 1.00 0.00 C ATOM 1471 C VAL A 95 2.118 6.314 15.544 1.00 0.00 C ATOM 1472 O VAL A 95 3.341 6.181 15.580 1.00 0.00 O ATOM 1473 CB VAL A 95 1.243 5.764 13.272 1.00 0.00 C ATOM 1474 CG1 VAL A 95 0.311 4.872 12.467 1.00 0.00 C ATOM 1475 CG2 VAL A 95 0.846 7.226 13.136 1.00 0.00 C ATOM 0 H VAL A 95 -0.841 5.313 14.591 1.00 0.00 H new ATOM 0 HA VAL A 95 1.663 4.338 14.837 1.00 0.00 H new ATOM 0 HB VAL A 95 2.251 5.647 12.875 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.320 5.184 11.423 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.645 3.837 12.539 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.702 4.954 12.861 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.848 7.507 12.083 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.152 7.372 13.549 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.558 7.848 13.679 1.00 0.00 H new ATOM 1485 N ASP A 96 1.478 7.291 16.177 1.00 0.00 N ATOM 1486 CA ASP A 96 2.193 8.286 16.969 1.00 0.00 C ATOM 1487 C ASP A 96 3.060 7.615 18.030 1.00 0.00 C ATOM 1488 O ASP A 96 4.230 7.957 18.195 1.00 0.00 O ATOM 1489 CB ASP A 96 1.204 9.246 17.633 1.00 0.00 C ATOM 1490 CG ASP A 96 1.885 10.212 18.582 1.00 0.00 C ATOM 1491 OD1 ASP A 96 3.077 10.515 18.366 1.00 0.00 O ATOM 1492 OD2 ASP A 96 1.227 10.665 19.542 1.00 0.00 O ATOM 0 H ASP A 96 0.466 7.416 16.157 1.00 0.00 H new ATOM 0 HA ASP A 96 2.842 8.850 16.299 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.676 9.809 16.863 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.455 8.672 18.179 1.00 0.00 H new ATOM 1497 N GLU A 97 2.476 6.659 18.746 1.00 0.00 N ATOM 1498 CA GLU A 97 3.196 5.942 19.792 1.00 0.00 C ATOM 1499 C GLU A 97 4.019 4.801 19.201 1.00 0.00 C ATOM 1500 O GLU A 97 5.200 4.648 19.513 1.00 0.00 O ATOM 1501 CB GLU A 97 2.216 5.393 20.831 1.00 0.00 C ATOM 1502 CG GLU A 97 1.611 6.465 21.723 1.00 0.00 C ATOM 1503 CD GLU A 97 0.617 7.343 20.987 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -0.516 6.879 20.743 1.00 0.00 O ATOM 1505 OE2 GLU A 97 0.973 8.493 20.655 1.00 0.00 O ATOM 0 H GLU A 97 1.508 6.364 18.621 1.00 0.00 H new ATOM 0 HA GLU A 97 3.875 6.643 20.277 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.413 4.864 20.317 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.732 4.662 21.454 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.114 5.991 22.569 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.408 7.087 22.129 1.00 0.00 H new ATOM 1512 N ASP A 98 3.387 4.003 18.348 1.00 0.00 N ATOM 1513 CA ASP A 98 4.061 2.876 17.712 1.00 0.00 C ATOM 1514 C ASP A 98 3.577 2.693 16.277 1.00 0.00 C ATOM 1515 O ASP A 98 2.390 2.478 16.034 1.00 0.00 O ATOM 1516 CB ASP A 98 3.821 1.595 18.512 1.00 0.00 C ATOM 1517 CG ASP A 98 4.650 1.540 19.780 1.00 0.00 C ATOM 1518 OD1 ASP A 98 5.883 1.370 19.676 1.00 0.00 O ATOM 1519 OD2 ASP A 98 4.066 1.666 20.877 1.00 0.00 O ATOM 0 H ASP A 98 2.409 4.115 18.081 1.00 0.00 H new ATOM 0 HA ASP A 98 5.130 3.088 17.691 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.764 1.523 18.769 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.057 0.732 17.890 1.00 0.00 H new ATOM 1524 N VAL A 99 4.506 2.780 15.330 1.00 0.00 N ATOM 1525 CA VAL A 99 4.174 2.624 13.918 1.00 0.00 C ATOM 1526 C VAL A 99 4.969 1.485 13.290 1.00 0.00 C ATOM 1527 O VAL A 99 4.524 0.862 12.326 1.00 0.00 O ATOM 1528 CB VAL A 99 4.447 3.920 13.131 1.00 0.00 C ATOM 1529 CG1 VAL A 99 5.933 4.244 13.133 1.00 0.00 C ATOM 1530 CG2 VAL A 99 3.920 3.800 11.709 1.00 0.00 C ATOM 0 H VAL A 99 5.493 2.957 15.514 1.00 0.00 H new ATOM 0 HA VAL A 99 3.110 2.393 13.866 1.00 0.00 H new ATOM 0 HB VAL A 99 3.921 4.740 13.621 1.00 0.00 H new ATOM 0 HG11 VAL A 99 6.106 5.163 12.572 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.275 4.376 14.159 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.484 3.426 12.669 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.121 4.724 11.167 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.415 2.969 11.206 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.845 3.620 11.733 1.00 0.00 H new ATOM 1540 N MET A 100 6.147 1.217 13.844 1.00 0.00 N ATOM 1541 CA MET A 100 7.003 0.150 13.339 1.00 0.00 C ATOM 1542 C MET A 100 6.799 -1.135 14.135 1.00 0.00 C ATOM 1543 O MET A 100 6.293 -1.106 15.256 1.00 0.00 O ATOM 1544 CB MET A 100 8.472 0.573 13.400 1.00 0.00 C ATOM 1545 CG MET A 100 8.813 1.720 12.463 1.00 0.00 C ATOM 1546 SD MET A 100 10.590 1.933 12.243 1.00 0.00 S ATOM 1547 CE MET A 100 10.852 1.040 10.713 1.00 0.00 C ATOM 0 H MET A 100 6.530 1.724 14.642 1.00 0.00 H new ATOM 0 HA MET A 100 6.729 -0.039 12.301 1.00 0.00 H new ATOM 0 HB2 MET A 100 8.716 0.864 14.422 1.00 0.00 H new ATOM 0 HB3 MET A 100 9.099 -0.284 13.155 1.00 0.00 H new ATOM 0 HG2 MET A 100 8.350 1.541 11.493 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.386 2.643 12.855 1.00 0.00 H new ATOM 0 HE1 MET A 100 11.907 1.081 10.444 1.00 0.00 H new ATOM 0 HE2 MET A 100 10.551 0.000 10.842 1.00 0.00 H new ATOM 0 HE3 MET A 100 10.258 1.494 9.920 1.00 0.00 H new ATOM 1557 N GLU A 101 7.195 -2.260 13.548 1.00 0.00 N ATOM 1558 CA GLU A 101 7.053 -3.554 14.204 1.00 0.00 C ATOM 1559 C GLU A 101 8.316 -3.910 14.984 1.00 0.00 C ATOM 1560 O GLU A 101 9.251 -4.498 14.441 1.00 0.00 O ATOM 1561 CB GLU A 101 6.755 -4.644 13.172 1.00 0.00 C ATOM 1562 CG GLU A 101 6.503 -6.011 13.786 1.00 0.00 C ATOM 1563 CD GLU A 101 7.690 -6.522 14.579 1.00 0.00 C ATOM 1564 OE1 GLU A 101 8.724 -6.848 13.958 1.00 0.00 O ATOM 1565 OE2 GLU A 101 7.586 -6.595 15.821 1.00 0.00 O ATOM 0 H GLU A 101 7.616 -2.301 12.620 1.00 0.00 H new ATOM 0 HA GLU A 101 6.220 -3.488 14.904 1.00 0.00 H new ATOM 0 HB2 GLU A 101 5.883 -4.351 12.588 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.593 -4.715 12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.631 -5.957 14.438 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.266 -6.722 12.995 1.00 0.00 H new ATOM 1572 N THR A 102 8.335 -3.548 16.264 1.00 0.00 N ATOM 1573 CA THR A 102 9.481 -3.827 17.119 1.00 0.00 C ATOM 1574 C THR A 102 9.103 -4.769 18.256 1.00 0.00 C ATOM 1575 O THR A 102 7.924 -4.943 18.566 1.00 0.00 O ATOM 1576 CB THR A 102 10.066 -2.532 17.714 1.00 0.00 C ATOM 1577 OG1 THR A 102 9.051 -1.821 18.432 1.00 0.00 O ATOM 1578 CG2 THR A 102 10.637 -1.643 16.620 1.00 0.00 C ATOM 0 H THR A 102 7.569 -3.061 16.730 1.00 0.00 H new ATOM 0 HA THR A 102 10.234 -4.303 16.492 1.00 0.00 H new ATOM 0 HB THR A 102 10.871 -2.803 18.396 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.431 -1.000 18.809 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.044 -0.735 17.065 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.429 -2.176 16.094 1.00 0.00 H new ATOM 0 HG23 THR A 102 9.848 -1.380 15.916 1.00 0.00 H new ATOM 1586 N VAL A 103 10.110 -5.376 18.876 1.00 0.00 N ATOM 1587 CA VAL A 103 9.883 -6.300 19.980 1.00 0.00 C ATOM 1588 C VAL A 103 9.400 -5.562 21.224 1.00 0.00 C ATOM 1589 O VAL A 103 10.027 -4.601 21.671 1.00 0.00 O ATOM 1590 CB VAL A 103 11.161 -7.086 20.327 1.00 0.00 C ATOM 1591 CG1 VAL A 103 12.278 -6.137 20.734 1.00 0.00 C ATOM 1592 CG2 VAL A 103 10.882 -8.098 21.428 1.00 0.00 C ATOM 0 H VAL A 103 11.092 -5.244 18.632 1.00 0.00 H new ATOM 0 HA VAL A 103 9.113 -6.999 19.654 1.00 0.00 H new ATOM 0 HB VAL A 103 11.484 -7.630 19.439 1.00 0.00 H new ATOM 0 HG11 VAL A 103 13.173 -6.711 20.976 1.00 0.00 H new ATOM 0 HG12 VAL A 103 12.495 -5.456 19.911 1.00 0.00 H new ATOM 0 HG13 VAL A 103 11.968 -5.563 21.608 1.00 0.00 H new ATOM 0 HG21 VAL A 103 11.796 -8.644 21.660 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.533 -7.578 22.320 1.00 0.00 H new ATOM 0 HG23 VAL A 103 10.116 -8.798 21.093 1.00 0.00 H new ATOM 1602 N SER A 104 8.282 -6.018 21.779 1.00 0.00 N ATOM 1603 CA SER A 104 7.713 -5.399 22.970 1.00 0.00 C ATOM 1604 C SER A 104 6.588 -6.256 23.543 1.00 0.00 C ATOM 1605 O SER A 104 5.684 -6.677 22.823 1.00 0.00 O ATOM 1606 CB SER A 104 7.187 -4.000 22.642 1.00 0.00 C ATOM 1607 OG SER A 104 6.185 -4.054 21.641 1.00 0.00 O ATOM 0 H SER A 104 7.752 -6.814 21.423 1.00 0.00 H new ATOM 0 HA SER A 104 8.501 -5.317 23.718 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.781 -3.540 23.543 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.009 -3.369 22.305 1.00 0.00 H new ATOM 0 HG SER A 104 5.647 -4.865 21.760 1.00 0.00 H new ATOM 1613 N GLY A 105 6.651 -6.511 24.847 1.00 0.00 N ATOM 1614 CA GLY A 105 5.633 -7.316 25.496 1.00 0.00 C ATOM 1615 C GLY A 105 5.939 -7.569 26.959 1.00 0.00 C ATOM 1616 O GLY A 105 6.118 -8.708 27.390 1.00 0.00 O ATOM 0 H GLY A 105 7.389 -6.174 25.465 1.00 0.00 H new ATOM 0 HA2 GLY A 105 4.669 -6.815 25.411 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.543 -8.270 24.977 1.00 0.00 H new ATOM 1620 N PRO A 106 6.005 -6.487 27.749 1.00 0.00 N ATOM 1621 CA PRO A 106 6.293 -6.571 29.184 1.00 0.00 C ATOM 1622 C PRO A 106 5.146 -7.196 29.970 1.00 0.00 C ATOM 1623 O PRO A 106 4.166 -7.664 29.390 1.00 0.00 O ATOM 1624 CB PRO A 106 6.487 -5.109 29.593 1.00 0.00 C ATOM 1625 CG PRO A 106 5.708 -4.329 28.591 1.00 0.00 C ATOM 1626 CD PRO A 106 5.803 -5.098 27.303 1.00 0.00 C ATOM 0 HA PRO A 106 7.156 -7.204 29.390 1.00 0.00 H new ATOM 0 HB2 PRO A 106 6.123 -4.929 30.605 1.00 0.00 H new ATOM 0 HB3 PRO A 106 7.541 -4.830 29.579 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.670 -4.219 28.904 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.115 -3.324 28.477 1.00 0.00 H new ATOM 0 HD2 PRO A 106 4.897 -4.995 26.706 1.00 0.00 H new ATOM 0 HD3 PRO A 106 6.632 -4.749 26.687 1.00 0.00 H new ATOM 1634 N SER A 107 5.274 -7.202 31.293 1.00 0.00 N ATOM 1635 CA SER A 107 4.249 -7.773 32.158 1.00 0.00 C ATOM 1636 C SER A 107 3.140 -6.761 32.427 1.00 0.00 C ATOM 1637 O SER A 107 3.152 -6.064 33.443 1.00 0.00 O ATOM 1638 CB SER A 107 4.866 -8.234 33.480 1.00 0.00 C ATOM 1639 OG SER A 107 5.488 -7.155 34.156 1.00 0.00 O ATOM 0 H SER A 107 6.078 -6.818 31.789 1.00 0.00 H new ATOM 0 HA SER A 107 3.816 -8.633 31.648 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.093 -8.667 34.114 1.00 0.00 H new ATOM 0 HB3 SER A 107 5.598 -9.018 33.289 1.00 0.00 H new ATOM 0 HG SER A 107 4.879 -6.387 34.177 1.00 0.00 H new ATOM 1645 N SER A 108 2.180 -6.685 31.510 1.00 0.00 N ATOM 1646 CA SER A 108 1.065 -5.756 31.645 1.00 0.00 C ATOM 1647 C SER A 108 -0.176 -6.470 32.173 1.00 0.00 C ATOM 1648 O SER A 108 -0.902 -7.116 31.419 1.00 0.00 O ATOM 1649 CB SER A 108 0.755 -5.098 30.299 1.00 0.00 C ATOM 1650 OG SER A 108 1.563 -3.953 30.093 1.00 0.00 O ATOM 0 H SER A 108 2.153 -7.256 30.665 1.00 0.00 H new ATOM 0 HA SER A 108 1.351 -4.985 32.360 1.00 0.00 H new ATOM 0 HB2 SER A 108 0.921 -5.814 29.494 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.297 -4.816 30.262 1.00 0.00 H new ATOM 0 HG SER A 108 1.347 -3.552 29.225 1.00 0.00 H new ATOM 1656 N GLY A 109 -0.412 -6.347 33.476 1.00 0.00 N ATOM 1657 CA GLY A 109 -1.565 -6.985 34.084 1.00 0.00 C ATOM 1658 C GLY A 109 -1.591 -6.821 35.591 1.00 0.00 C ATOM 1659 O GLY A 109 -0.736 -7.358 36.295 1.00 0.00 O ATOM 0 H GLY A 109 0.174 -5.817 34.121 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.476 -6.562 33.660 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.561 -8.047 33.837 1.00 0.00 H new TER 1663 GLY A 109