USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 640 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 109 MET CE :methyl 165:sc= -1.36 (180deg=-1.81) USER MOD Set 1.2: A 124 MET CE :methyl 160:sc= -0.188 (180deg=-1.81) USER MOD Set 2.1: A 107 HIS : no HE2:sc= -1.86 K(o=-3,f=-4.8) USER MOD Set 2.2: A 111 ASN : amide:sc= -1.15! C(o=-3!,f=-4.8!) USER MOD Single : A 81 SER OG : rot -32:sc= 0.0246 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.12 K(o=-0.12,f=-1.6!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -76:sc= 0.888 USER MOD Single : A 115 LYS NZ :NH3+ 156:sc= -0.118 (180deg=-0.782) USER MOD Single : A 117 THR OG1 : rot -54:sc= 0.118! USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 137 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.8!) USER MOD Single : A 138 TYR OH : rot 150:sc= -0.417 USER MOD Single : A 143 GLN : amide:sc= -0.0138 K(o=-0.014,f=-2.1!) USER MOD Single : A 144 MET CE :methyl -108:sc= -0.725 (180deg=-1.21) USER MOD Single : A 145 MET CE :methyl 179:sc= -0.359 (180deg=-0.363) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 GLN : amide:sc= -13.1! C(o=-13!,f=-26!) USER MOD Single : B 48 SER OG : rot 79:sc= 1.27 USER MOD Single : B 49 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.25) USER MOD Single : B 52 LYS NZ :NH3+ 134:sc= -0.0497 (180deg=-0.476) USER MOD Single : B 54 GLN : amide:sc= -6.39! C(o=-6.4!,f=-6.9!) USER MOD Single : B 55 LYS NZ :NH3+ -160:sc= -0.0436 (180deg=-0.522) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 81 6.453 -6.908 -11.741 1.00 0.00 N ATOM 81 CA SER A 81 6.586 -6.846 -10.286 1.00 0.00 C ATOM 82 C SER A 81 5.315 -6.300 -9.647 1.00 0.00 C ATOM 83 O SER A 81 5.183 -6.286 -8.426 1.00 0.00 O ATOM 84 CB SER A 81 7.774 -5.965 -9.902 1.00 0.00 C ATOM 85 OG SER A 81 7.491 -4.616 -10.254 1.00 0.00 O ATOM 0 HA SER A 81 6.753 -7.858 -9.918 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.967 -6.041 -8.832 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.674 -6.305 -10.413 1.00 0.00 H new ATOM 0 HG SER A 81 6.928 -4.598 -11.056 1.00 0.00 H new ATOM 91 N GLU A 82 4.389 -5.840 -10.474 1.00 0.00 N ATOM 92 CA GLU A 82 3.147 -5.285 -9.955 1.00 0.00 C ATOM 93 C GLU A 82 2.482 -6.292 -9.032 1.00 0.00 C ATOM 94 O GLU A 82 1.879 -5.926 -8.024 1.00 0.00 O ATOM 95 CB GLU A 82 2.197 -4.947 -11.108 1.00 0.00 C ATOM 96 CG GLU A 82 2.708 -3.728 -11.867 1.00 0.00 C ATOM 97 CD GLU A 82 1.903 -3.537 -13.149 1.00 0.00 C ATOM 98 OE1 GLU A 82 1.200 -4.461 -13.525 1.00 0.00 O ATOM 99 OE2 GLU A 82 2.003 -2.472 -13.734 1.00 0.00 O ATOM 0 H GLU A 82 4.470 -5.839 -11.491 1.00 0.00 H new ATOM 0 HA GLU A 82 3.374 -4.375 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.116 -5.798 -11.784 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.197 -4.751 -10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.627 -2.839 -11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.764 -3.854 -12.106 1.00 0.00 H new ATOM 106 N GLU A 83 2.604 -7.562 -9.378 1.00 0.00 N ATOM 107 CA GLU A 83 2.022 -8.624 -8.570 1.00 0.00 C ATOM 108 C GLU A 83 2.715 -8.716 -7.208 1.00 0.00 C ATOM 109 O GLU A 83 2.093 -9.068 -6.209 1.00 0.00 O ATOM 110 CB GLU A 83 2.169 -9.963 -9.300 1.00 0.00 C ATOM 111 CG GLU A 83 3.649 -10.365 -9.356 1.00 0.00 C ATOM 112 CD GLU A 83 3.815 -11.589 -10.246 1.00 0.00 C ATOM 113 OE1 GLU A 83 2.837 -11.995 -10.852 1.00 0.00 O ATOM 114 OE2 GLU A 83 4.919 -12.104 -10.310 1.00 0.00 O ATOM 0 H GLU A 83 3.099 -7.884 -10.210 1.00 0.00 H new ATOM 0 HA GLU A 83 0.968 -8.397 -8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.593 -10.733 -8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.766 -9.883 -10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.246 -9.539 -9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.015 -10.581 -8.352 1.00 0.00 H new ATOM 121 N GLU A 84 4.012 -8.414 -7.178 1.00 0.00 N ATOM 122 CA GLU A 84 4.772 -8.489 -5.931 1.00 0.00 C ATOM 123 C GLU A 84 4.189 -7.526 -4.899 1.00 0.00 C ATOM 124 O GLU A 84 3.946 -7.897 -3.748 1.00 0.00 O ATOM 125 CB GLU A 84 6.242 -8.140 -6.206 1.00 0.00 C ATOM 126 CG GLU A 84 7.068 -8.282 -4.922 1.00 0.00 C ATOM 127 CD GLU A 84 7.065 -9.732 -4.453 1.00 0.00 C ATOM 128 OE1 GLU A 84 6.782 -10.597 -5.266 1.00 0.00 O ATOM 129 OE2 GLU A 84 7.345 -9.958 -3.287 1.00 0.00 O ATOM 0 H GLU A 84 4.553 -8.119 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 84 4.710 -9.502 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.641 -8.797 -6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.317 -7.121 -6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.091 -7.952 -5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.657 -7.639 -4.143 1.00 0.00 H new ATOM 136 N ILE A 85 3.948 -6.297 -5.329 1.00 0.00 N ATOM 137 CA ILE A 85 3.372 -5.285 -4.457 1.00 0.00 C ATOM 138 C ILE A 85 1.942 -5.661 -4.091 1.00 0.00 C ATOM 139 O ILE A 85 1.484 -5.405 -2.979 1.00 0.00 O ATOM 140 CB ILE A 85 3.394 -3.912 -5.139 1.00 0.00 C ATOM 141 CG1 ILE A 85 4.833 -3.383 -5.210 1.00 0.00 C ATOM 142 CG2 ILE A 85 2.537 -2.933 -4.335 1.00 0.00 C ATOM 143 CD1 ILE A 85 5.201 -2.667 -3.903 1.00 0.00 C ATOM 0 H ILE A 85 4.143 -5.976 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 85 3.970 -5.232 -3.547 1.00 0.00 H new ATOM 0 HB ILE A 85 2.997 -4.010 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.523 -4.208 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.934 -2.696 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.551 -1.956 -4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.512 -3.300 -4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.937 -2.844 -3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.224 -2.297 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.521 -1.830 -3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.119 -3.365 -3.070 1.00 0.00 H new ATOM 155 N ARG A 86 1.249 -6.275 -5.043 1.00 0.00 N ATOM 156 CA ARG A 86 -0.132 -6.700 -4.847 1.00 0.00 C ATOM 157 C ARG A 86 -0.241 -7.705 -3.702 1.00 0.00 C ATOM 158 O ARG A 86 -1.191 -7.666 -2.922 1.00 0.00 O ATOM 159 CB ARG A 86 -0.640 -7.332 -6.142 1.00 0.00 C ATOM 160 CG ARG A 86 -2.109 -7.711 -6.006 1.00 0.00 C ATOM 161 CD ARG A 86 -2.614 -8.200 -7.364 1.00 0.00 C ATOM 162 NE ARG A 86 -4.008 -8.618 -7.271 1.00 0.00 N ATOM 163 CZ ARG A 86 -4.685 -8.991 -8.353 1.00 0.00 C ATOM 164 NH1 ARG A 86 -4.100 -9.001 -9.518 1.00 0.00 N ATOM 165 NH2 ARG A 86 -5.935 -9.352 -8.248 1.00 0.00 N ATOM 0 H ARG A 86 1.625 -6.491 -5.966 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.737 -5.831 -4.588 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.513 -6.634 -6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.050 -8.217 -6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.231 -8.491 -5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.692 -6.853 -5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.515 -7.405 -8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.001 -9.033 -7.708 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.471 -8.624 -6.362 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.122 -8.723 -9.600 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.620 -9.287 -10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.392 -9.348 -7.336 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -6.455 -9.638 -9.078 1.00 0.00 H new ATOM 179 N GLU A 87 0.737 -8.602 -3.607 1.00 0.00 N ATOM 180 CA GLU A 87 0.730 -9.612 -2.552 1.00 0.00 C ATOM 181 C GLU A 87 0.709 -8.940 -1.188 1.00 0.00 C ATOM 182 O GLU A 87 0.040 -9.405 -0.265 1.00 0.00 O ATOM 183 CB GLU A 87 1.962 -10.514 -2.665 1.00 0.00 C ATOM 184 CG GLU A 87 1.830 -11.411 -3.898 1.00 0.00 C ATOM 185 CD GLU A 87 0.740 -12.452 -3.671 1.00 0.00 C ATOM 186 OE1 GLU A 87 0.343 -12.626 -2.531 1.00 0.00 O ATOM 187 OE2 GLU A 87 0.316 -13.059 -4.642 1.00 0.00 O ATOM 0 H GLU A 87 1.536 -8.651 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.165 -10.224 -2.665 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.864 -9.907 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.062 -11.125 -1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.591 -10.807 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.780 -11.905 -4.102 1.00 0.00 H new ATOM 194 N ALA A 88 1.428 -7.835 -1.072 1.00 0.00 N ATOM 195 CA ALA A 88 1.468 -7.094 0.179 1.00 0.00 C ATOM 196 C ALA A 88 0.065 -6.633 0.566 1.00 0.00 C ATOM 197 O ALA A 88 -0.283 -6.613 1.747 1.00 0.00 O ATOM 198 CB ALA A 88 2.392 -5.882 0.047 1.00 0.00 C ATOM 0 H ALA A 88 1.989 -7.433 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 88 1.853 -7.752 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.413 -5.336 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.399 -6.218 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.023 -5.228 -0.743 1.00 0.00 H new ATOM 204 N PHE A 89 -0.751 -6.288 -0.430 1.00 0.00 N ATOM 205 CA PHE A 89 -2.121 -5.865 -0.162 1.00 0.00 C ATOM 206 C PHE A 89 -3.019 -7.078 0.093 1.00 0.00 C ATOM 207 O PHE A 89 -3.920 -7.027 0.930 1.00 0.00 O ATOM 208 CB PHE A 89 -2.664 -5.041 -1.332 1.00 0.00 C ATOM 209 CG PHE A 89 -2.012 -3.678 -1.322 1.00 0.00 C ATOM 210 CD1 PHE A 89 -2.516 -2.668 -0.494 1.00 0.00 C ATOM 211 CD2 PHE A 89 -0.898 -3.425 -2.131 1.00 0.00 C ATOM 212 CE1 PHE A 89 -1.910 -1.408 -0.476 1.00 0.00 C ATOM 213 CE2 PHE A 89 -0.289 -2.165 -2.113 1.00 0.00 C ATOM 214 CZ PHE A 89 -0.795 -1.155 -1.285 1.00 0.00 C ATOM 0 H PHE A 89 -0.490 -6.293 -1.416 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.118 -5.242 0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.461 -5.548 -2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.746 -4.941 -1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.374 -2.862 0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.508 -4.203 -2.770 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.302 -0.630 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.571 -1.972 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.326 -0.182 -1.270 1.00 0.00 H new ATOM 224 N ARG A 90 -2.784 -8.157 -0.655 1.00 0.00 N ATOM 225 CA ARG A 90 -3.606 -9.359 -0.512 1.00 0.00 C ATOM 226 C ARG A 90 -3.692 -9.782 0.949 1.00 0.00 C ATOM 227 O ARG A 90 -4.691 -10.360 1.375 1.00 0.00 O ATOM 228 CB ARG A 90 -3.054 -10.511 -1.358 1.00 0.00 C ATOM 229 CG ARG A 90 -3.336 -10.241 -2.839 1.00 0.00 C ATOM 230 CD ARG A 90 -2.860 -11.429 -3.680 1.00 0.00 C ATOM 231 NE ARG A 90 -3.122 -11.185 -5.094 1.00 0.00 N ATOM 232 CZ ARG A 90 -4.313 -11.442 -5.624 1.00 0.00 C ATOM 233 NH1 ARG A 90 -5.272 -11.917 -4.877 1.00 0.00 N ATOM 234 NH2 ARG A 90 -4.524 -11.222 -6.892 1.00 0.00 N ATOM 0 H ARG A 90 -2.045 -8.224 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.607 -9.118 -0.870 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.981 -10.614 -1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.515 -11.451 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.403 -10.079 -2.992 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.826 -9.331 -3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.793 -11.590 -3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -3.370 -12.338 -3.360 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.379 -10.811 -5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.107 -12.091 -3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.186 -12.114 -5.285 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.775 -10.853 -7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -5.438 -11.419 -7.299 1.00 0.00 H new ATOM 248 N VAL A 91 -2.664 -9.463 1.721 1.00 0.00 N ATOM 249 CA VAL A 91 -2.663 -9.787 3.141 1.00 0.00 C ATOM 250 C VAL A 91 -3.826 -9.088 3.830 1.00 0.00 C ATOM 251 O VAL A 91 -4.459 -9.645 4.727 1.00 0.00 O ATOM 252 CB VAL A 91 -1.340 -9.351 3.779 1.00 0.00 C ATOM 253 CG1 VAL A 91 -1.450 -9.452 5.304 1.00 0.00 C ATOM 254 CG2 VAL A 91 -0.219 -10.273 3.293 1.00 0.00 C ATOM 0 H VAL A 91 -1.826 -8.984 1.392 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.773 -10.865 3.259 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.121 -8.321 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.509 -9.142 5.758 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.253 -8.804 5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.667 -10.482 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.725 -9.967 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.442 -11.300 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.140 -10.209 2.208 1.00 0.00 H new ATOM 264 N PHE A 92 -4.095 -7.862 3.405 1.00 0.00 N ATOM 265 CA PHE A 92 -5.177 -7.081 3.984 1.00 0.00 C ATOM 266 C PHE A 92 -6.514 -7.404 3.313 1.00 0.00 C ATOM 267 O PHE A 92 -7.574 -7.211 3.910 1.00 0.00 O ATOM 268 CB PHE A 92 -4.863 -5.591 3.830 1.00 0.00 C ATOM 269 CG PHE A 92 -3.418 -5.308 4.209 1.00 0.00 C ATOM 270 CD1 PHE A 92 -2.820 -5.933 5.317 1.00 0.00 C ATOM 271 CD2 PHE A 92 -2.671 -4.403 3.445 1.00 0.00 C ATOM 272 CE1 PHE A 92 -1.495 -5.651 5.651 1.00 0.00 C ATOM 273 CE2 PHE A 92 -1.344 -4.124 3.784 1.00 0.00 C ATOM 274 CZ PHE A 92 -0.756 -4.747 4.887 1.00 0.00 C ATOM 0 H PHE A 92 -3.580 -7.388 2.663 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.262 -7.335 5.041 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.042 -5.280 2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.532 -5.006 4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.388 -6.633 5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.122 -3.919 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.040 -6.134 6.503 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.772 -3.425 3.192 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.269 -4.529 5.148 1.00 0.00 H new ATOM 284 N ASP A 93 -6.468 -7.907 2.081 1.00 0.00 N ATOM 285 CA ASP A 93 -7.699 -8.259 1.373 1.00 0.00 C ATOM 286 C ASP A 93 -8.079 -9.708 1.662 1.00 0.00 C ATOM 287 O ASP A 93 -7.959 -10.572 0.792 1.00 0.00 O ATOM 288 CB ASP A 93 -7.524 -8.081 -0.136 1.00 0.00 C ATOM 289 CG ASP A 93 -8.875 -8.223 -0.831 1.00 0.00 C ATOM 290 OD1 ASP A 93 -9.817 -8.631 -0.172 1.00 0.00 O ATOM 291 OD2 ASP A 93 -8.946 -7.926 -2.012 1.00 0.00 O ATOM 0 H ASP A 93 -5.609 -8.078 1.559 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.490 -7.596 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.096 -7.102 -0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.826 -8.825 -0.521 1.00 0.00 H new ATOM 296 N LYS A 94 -8.536 -9.975 2.881 1.00 0.00 N ATOM 297 CA LYS A 94 -8.926 -11.330 3.258 1.00 0.00 C ATOM 298 C LYS A 94 -10.208 -11.745 2.549 1.00 0.00 C ATOM 299 O LYS A 94 -10.451 -12.930 2.322 1.00 0.00 O ATOM 300 CB LYS A 94 -9.137 -11.402 4.769 1.00 0.00 C ATOM 301 CG LYS A 94 -10.405 -10.628 5.155 1.00 0.00 C ATOM 302 CD LYS A 94 -10.455 -10.415 6.675 1.00 0.00 C ATOM 303 CE LYS A 94 -10.751 -11.740 7.385 1.00 0.00 C ATOM 304 NZ LYS A 94 -10.941 -11.488 8.841 1.00 0.00 N ATOM 0 H LYS A 94 -8.645 -9.279 3.619 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.128 -12.011 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.225 -12.442 5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.273 -10.984 5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.421 -9.665 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.288 -11.177 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.505 -10.011 7.024 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.223 -9.682 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.646 -12.199 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.930 -12.440 7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.142 -12.386 9.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.076 -11.068 9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.738 -10.834 8.979 1.00 0.00 H new ATOM 318 N ASP A 95 -11.021 -10.759 2.203 1.00 0.00 N ATOM 319 CA ASP A 95 -12.283 -11.020 1.517 1.00 0.00 C ATOM 320 C ASP A 95 -12.035 -11.470 0.081 1.00 0.00 C ATOM 321 O ASP A 95 -12.859 -12.165 -0.513 1.00 0.00 O ATOM 322 CB ASP A 95 -13.148 -9.760 1.517 1.00 0.00 C ATOM 323 CG ASP A 95 -13.671 -9.485 2.923 1.00 0.00 C ATOM 324 OD1 ASP A 95 -13.568 -10.371 3.756 1.00 0.00 O ATOM 325 OD2 ASP A 95 -14.165 -8.392 3.146 1.00 0.00 O ATOM 0 H ASP A 95 -10.833 -9.773 2.384 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.802 -11.818 2.048 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -12.565 -8.909 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.983 -9.882 0.827 1.00 0.00 H new ATOM 330 N GLY A 96 -10.894 -11.071 -0.471 1.00 0.00 N ATOM 331 CA GLY A 96 -10.548 -11.443 -1.838 1.00 0.00 C ATOM 332 C GLY A 96 -11.471 -10.755 -2.841 1.00 0.00 C ATOM 333 O GLY A 96 -11.697 -11.263 -3.938 1.00 0.00 O ATOM 0 H GLY A 96 -10.198 -10.495 0.003 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.513 -11.169 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.620 -12.524 -1.954 1.00 0.00 H new ATOM 337 N ASN A 97 -12.004 -9.600 -2.454 1.00 0.00 N ATOM 338 CA ASN A 97 -12.905 -8.857 -3.328 1.00 0.00 C ATOM 339 C ASN A 97 -12.132 -7.852 -4.178 1.00 0.00 C ATOM 340 O ASN A 97 -12.703 -7.194 -5.048 1.00 0.00 O ATOM 341 CB ASN A 97 -13.949 -8.117 -2.489 1.00 0.00 C ATOM 342 CG ASN A 97 -15.147 -7.744 -3.354 1.00 0.00 C ATOM 343 OD1 ASN A 97 -15.520 -8.494 -4.256 1.00 0.00 O ATOM 344 ND2 ASN A 97 -15.775 -6.621 -3.134 1.00 0.00 N ATOM 0 H ASN A 97 -11.830 -9.162 -1.550 1.00 0.00 H new ATOM 0 HA ASN A 97 -13.401 -9.567 -3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.272 -8.745 -1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -13.509 -7.218 -2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.576 -6.364 -3.710 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.464 -6.001 -2.386 1.00 0.00 H new ATOM 351 N GLY A 98 -10.833 -7.741 -3.920 1.00 0.00 N ATOM 352 CA GLY A 98 -9.995 -6.807 -4.666 1.00 0.00 C ATOM 353 C GLY A 98 -9.793 -5.511 -3.884 1.00 0.00 C ATOM 354 O GLY A 98 -9.016 -4.645 -4.289 1.00 0.00 O ATOM 0 H GLY A 98 -10.341 -8.280 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.028 -7.266 -4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.457 -6.587 -5.629 1.00 0.00 H new ATOM 358 N TYR A 99 -10.516 -5.382 -2.776 1.00 0.00 N ATOM 359 CA TYR A 99 -10.436 -4.180 -1.949 1.00 0.00 C ATOM 360 C TYR A 99 -9.990 -4.518 -0.532 1.00 0.00 C ATOM 361 O TYR A 99 -10.104 -5.659 -0.086 1.00 0.00 O ATOM 362 CB TYR A 99 -11.798 -3.491 -1.888 1.00 0.00 C ATOM 363 CG TYR A 99 -12.297 -3.205 -3.284 1.00 0.00 C ATOM 364 CD1 TYR A 99 -12.688 -4.263 -4.111 1.00 0.00 C ATOM 365 CD2 TYR A 99 -12.350 -1.889 -3.756 1.00 0.00 C ATOM 366 CE1 TYR A 99 -13.135 -4.011 -5.410 1.00 0.00 C ATOM 367 CE2 TYR A 99 -12.798 -1.634 -5.061 1.00 0.00 C ATOM 368 CZ TYR A 99 -13.188 -2.695 -5.888 1.00 0.00 C ATOM 369 OH TYR A 99 -13.630 -2.445 -7.171 1.00 0.00 O ATOM 0 H TYR A 99 -11.162 -6.091 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.702 -3.514 -2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.511 -4.124 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -11.719 -2.562 -1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -12.644 -5.278 -3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -12.047 -1.072 -3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -13.439 -4.830 -6.045 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -12.842 -0.619 -5.428 1.00 0.00 H new ATOM 0 HH TYR A 99 -13.606 -1.481 -7.343 1.00 0.00 H new ATOM 379 N ILE A 100 -9.508 -3.501 0.178 1.00 0.00 N ATOM 380 CA ILE A 100 -9.074 -3.672 1.560 1.00 0.00 C ATOM 381 C ILE A 100 -9.694 -2.555 2.394 1.00 0.00 C ATOM 382 O ILE A 100 -9.870 -1.445 1.898 1.00 0.00 O ATOM 383 CB ILE A 100 -7.535 -3.608 1.653 1.00 0.00 C ATOM 384 CG1 ILE A 100 -7.076 -2.186 1.999 1.00 0.00 C ATOM 385 CG2 ILE A 100 -6.927 -3.984 0.303 1.00 0.00 C ATOM 386 CD1 ILE A 100 -5.568 -2.067 1.783 1.00 0.00 C ATOM 0 H ILE A 100 -9.409 -2.552 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.394 -4.645 1.932 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.210 -4.300 2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.601 -1.462 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.325 -1.955 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.840 -3.939 0.368 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.233 -4.995 0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.274 -3.286 -0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.244 -1.056 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.051 -2.780 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.332 -2.280 0.740 1.00 0.00 H new ATOM 398 N SER A 101 -10.027 -2.826 3.648 1.00 0.00 N ATOM 399 CA SER A 101 -10.625 -1.786 4.476 1.00 0.00 C ATOM 400 C SER A 101 -9.665 -0.601 4.589 1.00 0.00 C ATOM 401 O SER A 101 -8.478 -0.777 4.842 1.00 0.00 O ATOM 402 CB SER A 101 -10.930 -2.334 5.871 1.00 0.00 C ATOM 403 OG SER A 101 -11.451 -1.289 6.682 1.00 0.00 O ATOM 0 H SER A 101 -9.899 -3.729 4.105 1.00 0.00 H new ATOM 0 HA SER A 101 -11.555 -1.457 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.648 -3.151 5.804 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.024 -2.742 6.320 1.00 0.00 H new ATOM 0 HG SER A 101 -11.649 -1.637 7.576 1.00 0.00 H new ATOM 409 N ALA A 102 -10.187 0.603 4.394 1.00 0.00 N ATOM 410 CA ALA A 102 -9.363 1.806 4.477 1.00 0.00 C ATOM 411 C ALA A 102 -8.836 2.019 5.897 1.00 0.00 C ATOM 412 O ALA A 102 -7.709 2.472 6.094 1.00 0.00 O ATOM 413 CB ALA A 102 -10.171 3.028 4.035 1.00 0.00 C ATOM 0 H ALA A 102 -11.169 0.774 4.179 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.509 1.676 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.547 3.920 4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.503 2.892 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.039 3.144 4.684 1.00 0.00 H new ATOM 419 N ALA A 103 -9.682 1.729 6.876 1.00 0.00 N ATOM 420 CA ALA A 103 -9.323 1.928 8.280 1.00 0.00 C ATOM 421 C ALA A 103 -8.086 1.120 8.679 1.00 0.00 C ATOM 422 O ALA A 103 -7.235 1.614 9.419 1.00 0.00 O ATOM 423 CB ALA A 103 -10.497 1.527 9.174 1.00 0.00 C ATOM 0 H ALA A 103 -10.620 1.356 6.728 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.089 2.985 8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.226 1.676 10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.365 2.141 8.933 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.738 0.477 9.008 1.00 0.00 H new ATOM 429 N GLU A 104 -7.988 -0.117 8.207 1.00 0.00 N ATOM 430 CA GLU A 104 -6.841 -0.952 8.555 1.00 0.00 C ATOM 431 C GLU A 104 -5.574 -0.431 7.885 1.00 0.00 C ATOM 432 O GLU A 104 -4.474 -0.575 8.421 1.00 0.00 O ATOM 433 CB GLU A 104 -7.097 -2.404 8.142 1.00 0.00 C ATOM 434 CG GLU A 104 -6.578 -2.659 6.725 1.00 0.00 C ATOM 435 CD GLU A 104 -7.181 -3.948 6.178 1.00 0.00 C ATOM 436 OE1 GLU A 104 -7.273 -4.903 6.930 1.00 0.00 O ATOM 437 OE2 GLU A 104 -7.546 -3.959 5.014 1.00 0.00 O ATOM 0 H GLU A 104 -8.673 -0.559 7.594 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.702 -0.912 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.606 -3.079 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.165 -2.618 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.837 -1.822 6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.490 -2.731 6.734 1.00 0.00 H new ATOM 444 N LEU A 105 -5.732 0.174 6.714 1.00 0.00 N ATOM 445 CA LEU A 105 -4.585 0.711 5.987 1.00 0.00 C ATOM 446 C LEU A 105 -3.895 1.793 6.810 1.00 0.00 C ATOM 447 O LEU A 105 -2.673 1.785 6.959 1.00 0.00 O ATOM 448 CB LEU A 105 -5.036 1.291 4.643 1.00 0.00 C ATOM 449 CG LEU A 105 -3.843 1.922 3.920 1.00 0.00 C ATOM 450 CD1 LEU A 105 -3.823 1.447 2.466 1.00 0.00 C ATOM 451 CD2 LEU A 105 -3.981 3.445 3.952 1.00 0.00 C ATOM 0 H LEU A 105 -6.631 0.305 6.251 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.879 -0.100 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.472 0.505 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.813 2.039 4.802 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.917 1.627 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.975 1.895 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.732 0.361 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.748 1.746 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.133 3.898 3.438 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.906 3.737 3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.003 3.787 4.987 1.00 0.00 H new ATOM 463 N ARG A 106 -4.680 2.732 7.331 1.00 0.00 N ATOM 464 CA ARG A 106 -4.112 3.819 8.119 1.00 0.00 C ATOM 465 C ARG A 106 -3.332 3.254 9.302 1.00 0.00 C ATOM 466 O ARG A 106 -2.194 3.646 9.548 1.00 0.00 O ATOM 467 CB ARG A 106 -5.229 4.736 8.629 1.00 0.00 C ATOM 468 CG ARG A 106 -4.623 5.890 9.438 1.00 0.00 C ATOM 469 CD ARG A 106 -4.780 5.617 10.939 1.00 0.00 C ATOM 470 NE ARG A 106 -6.184 5.688 11.320 1.00 0.00 N ATOM 471 CZ ARG A 106 -6.755 6.848 11.631 1.00 0.00 C ATOM 472 NH1 ARG A 106 -6.057 7.950 11.593 1.00 0.00 N ATOM 473 NH2 ARG A 106 -8.014 6.885 11.973 1.00 0.00 N ATOM 0 H ARG A 106 -5.694 2.762 7.224 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.436 4.395 7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.801 5.130 7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -5.923 4.169 9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.568 6.005 9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.116 6.826 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.380 4.632 11.181 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.204 6.344 11.510 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.739 4.833 11.349 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.073 7.922 11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.495 8.840 11.832 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.560 6.024 12.002 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.452 7.775 12.212 1.00 0.00 H new ATOM 487 N HIS A 107 -3.946 2.323 10.028 1.00 0.00 N ATOM 488 CA HIS A 107 -3.291 1.706 11.179 1.00 0.00 C ATOM 489 C HIS A 107 -2.026 0.977 10.740 1.00 0.00 C ATOM 490 O HIS A 107 -0.972 1.090 11.366 1.00 0.00 O ATOM 491 CB HIS A 107 -4.255 0.723 11.847 1.00 0.00 C ATOM 492 CG HIS A 107 -3.574 0.048 13.005 1.00 0.00 C ATOM 493 ND1 HIS A 107 -3.236 0.732 14.162 1.00 0.00 N ATOM 494 CD2 HIS A 107 -3.176 -1.251 13.205 1.00 0.00 C ATOM 495 CE1 HIS A 107 -2.662 -0.150 15.001 1.00 0.00 C ATOM 496 NE2 HIS A 107 -2.601 -1.372 14.468 1.00 0.00 N ATOM 0 H HIS A 107 -4.889 1.981 9.842 1.00 0.00 H new ATOM 0 HA HIS A 107 -3.014 2.484 11.891 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.144 1.250 12.193 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -4.587 -0.022 11.124 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -3.394 1.723 14.344 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -3.291 -2.055 12.493 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -2.295 0.101 15.986 1.00 0.00 H new ATOM 505 N VAL A 108 -2.155 0.229 9.656 1.00 0.00 N ATOM 506 CA VAL A 108 -1.048 -0.535 9.095 1.00 0.00 C ATOM 507 C VAL A 108 0.092 0.388 8.661 1.00 0.00 C ATOM 508 O VAL A 108 1.267 0.062 8.820 1.00 0.00 O ATOM 509 CB VAL A 108 -1.565 -1.331 7.887 1.00 0.00 C ATOM 510 CG1 VAL A 108 -0.406 -1.980 7.124 1.00 0.00 C ATOM 511 CG2 VAL A 108 -2.518 -2.423 8.374 1.00 0.00 C ATOM 0 H VAL A 108 -3.029 0.133 9.139 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.658 -1.212 9.856 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.084 -0.646 7.217 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.797 -2.538 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.274 -1.206 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.131 -2.659 7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.888 -2.991 7.520 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.989 -3.092 9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.358 -1.966 8.897 1.00 0.00 H new ATOM 521 N MET A 109 -0.276 1.535 8.106 1.00 0.00 N ATOM 522 CA MET A 109 0.711 2.509 7.639 1.00 0.00 C ATOM 523 C MET A 109 1.329 3.294 8.783 1.00 0.00 C ATOM 524 O MET A 109 2.462 3.755 8.676 1.00 0.00 O ATOM 525 CB MET A 109 0.066 3.484 6.657 1.00 0.00 C ATOM 526 CG MET A 109 0.115 2.894 5.250 1.00 0.00 C ATOM 527 SD MET A 109 -0.240 1.118 5.322 1.00 0.00 S ATOM 528 CE MET A 109 -0.197 0.794 3.545 1.00 0.00 C ATOM 0 H MET A 109 -1.246 1.816 7.967 1.00 0.00 H new ATOM 0 HA MET A 109 1.504 1.946 7.146 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.967 3.678 6.946 1.00 0.00 H new ATOM 0 HB3 MET A 109 0.589 4.440 6.681 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.611 3.394 4.610 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.098 3.061 4.809 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.127 -0.280 3.373 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.107 1.177 3.083 1.00 0.00 H new ATOM 0 HE3 MET A 109 0.669 1.289 3.106 1.00 0.00 H new ATOM 538 N THR A 110 0.586 3.474 9.863 1.00 0.00 N ATOM 539 CA THR A 110 1.096 4.248 10.986 1.00 0.00 C ATOM 540 C THR A 110 1.552 3.343 12.134 1.00 0.00 C ATOM 541 O THR A 110 2.250 3.799 13.038 1.00 0.00 O ATOM 542 CB THR A 110 0.008 5.216 11.469 1.00 0.00 C ATOM 543 OG1 THR A 110 -1.080 4.480 12.007 1.00 0.00 O ATOM 544 CG2 THR A 110 -0.485 6.065 10.293 1.00 0.00 C ATOM 0 H THR A 110 -0.356 3.103 9.987 1.00 0.00 H new ATOM 0 HA THR A 110 1.967 4.810 10.650 1.00 0.00 H new ATOM 0 HB THR A 110 0.423 5.867 12.238 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.609 4.097 11.276 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.258 6.752 10.639 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.348 6.634 9.881 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.897 5.414 9.522 1.00 0.00 H new ATOM 552 N ASN A 111 1.138 2.071 12.111 1.00 0.00 N ATOM 553 CA ASN A 111 1.507 1.138 13.182 1.00 0.00 C ATOM 554 C ASN A 111 2.478 0.049 12.710 1.00 0.00 C ATOM 555 O ASN A 111 3.504 -0.190 13.348 1.00 0.00 O ATOM 556 CB ASN A 111 0.242 0.478 13.735 1.00 0.00 C ATOM 557 CG ASN A 111 0.520 -0.113 15.112 1.00 0.00 C ATOM 558 OD1 ASN A 111 1.297 0.448 15.884 1.00 0.00 O ATOM 559 ND2 ASN A 111 -0.073 -1.219 15.470 1.00 0.00 N ATOM 0 H ASN A 111 0.557 1.669 11.376 1.00 0.00 H new ATOM 0 HA ASN A 111 2.015 1.716 13.954 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.561 1.212 13.801 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.096 -0.305 13.056 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.107 -1.619 16.391 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.717 -1.683 14.829 1.00 0.00 H new ATOM 566 N LEU A 112 2.151 -0.621 11.606 1.00 0.00 N ATOM 567 CA LEU A 112 3.011 -1.692 11.090 1.00 0.00 C ATOM 568 C LEU A 112 4.039 -1.152 10.108 1.00 0.00 C ATOM 569 O LEU A 112 3.928 -0.020 9.641 1.00 0.00 O ATOM 570 CB LEU A 112 2.180 -2.752 10.366 1.00 0.00 C ATOM 571 CG LEU A 112 1.154 -3.381 11.311 1.00 0.00 C ATOM 572 CD1 LEU A 112 0.315 -4.395 10.528 1.00 0.00 C ATOM 573 CD2 LEU A 112 1.873 -4.096 12.458 1.00 0.00 C ATOM 0 H LEU A 112 1.310 -0.447 11.056 1.00 0.00 H new ATOM 0 HA LEU A 112 3.519 -2.131 11.949 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.669 -2.301 9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.837 -3.526 9.969 1.00 0.00 H new ATOM 0 HG LEU A 112 0.512 -2.602 11.723 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.420 -4.850 11.192 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.199 -3.888 9.711 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.966 -5.170 10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.137 -4.542 13.127 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.516 -4.878 12.053 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.479 -3.378 13.011 1.00 0.00 H new ATOM 585 N GLY A 113 5.031 -1.984 9.784 1.00 0.00 N ATOM 586 CA GLY A 113 6.065 -1.596 8.830 1.00 0.00 C ATOM 587 C GLY A 113 6.803 -0.348 9.286 1.00 0.00 C ATOM 588 O GLY A 113 7.430 -0.330 10.346 1.00 0.00 O ATOM 0 H GLY A 113 5.138 -2.924 10.166 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.774 -2.415 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.613 -1.417 7.855 1.00 0.00 H new ATOM 592 N GLU A 114 6.692 0.703 8.488 1.00 0.00 N ATOM 593 CA GLU A 114 7.320 1.970 8.820 1.00 0.00 C ATOM 594 C GLU A 114 6.295 2.880 9.484 1.00 0.00 C ATOM 595 O GLU A 114 5.100 2.581 9.486 1.00 0.00 O ATOM 596 CB GLU A 114 7.900 2.636 7.566 1.00 0.00 C ATOM 597 CG GLU A 114 9.418 2.443 7.542 1.00 0.00 C ATOM 598 CD GLU A 114 10.068 3.281 8.638 1.00 0.00 C ATOM 599 OE1 GLU A 114 10.064 4.493 8.510 1.00 0.00 O ATOM 600 OE2 GLU A 114 10.559 2.696 9.589 1.00 0.00 O ATOM 0 H GLU A 114 6.174 0.703 7.609 1.00 0.00 H new ATOM 0 HA GLU A 114 8.143 1.789 9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.453 2.202 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.658 3.699 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.661 1.390 7.685 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.814 2.732 6.569 1.00 0.00 H new ATOM 607 N LYS A 115 6.764 3.975 10.056 1.00 0.00 N ATOM 608 CA LYS A 115 5.873 4.907 10.735 1.00 0.00 C ATOM 609 C LYS A 115 5.625 6.153 9.893 1.00 0.00 C ATOM 610 O LYS A 115 6.365 7.132 9.989 1.00 0.00 O ATOM 611 CB LYS A 115 6.482 5.319 12.079 1.00 0.00 C ATOM 612 CG LYS A 115 6.661 4.084 12.972 1.00 0.00 C ATOM 613 CD LYS A 115 5.367 3.804 13.744 1.00 0.00 C ATOM 614 CE LYS A 115 5.585 2.618 14.686 1.00 0.00 C ATOM 615 NZ LYS A 115 6.665 2.949 15.658 1.00 0.00 N ATOM 0 H LYS A 115 7.748 4.242 10.066 1.00 0.00 H new ATOM 0 HA LYS A 115 4.919 4.403 10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.444 5.805 11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.837 6.045 12.573 1.00 0.00 H new ATOM 0 HG2 LYS A 115 6.925 3.220 12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.483 4.245 13.670 1.00 0.00 H new ATOM 0 HD2 LYS A 115 5.072 4.685 14.313 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.556 3.587 13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 115 4.661 2.387 15.217 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.855 1.730 14.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.551 2.369 16.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 7.591 2.753 15.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.607 3.956 15.912 1.00 0.00 H new ATOM 629 N LEU A 116 4.562 6.129 9.093 1.00 0.00 N ATOM 630 CA LEU A 116 4.223 7.289 8.281 1.00 0.00 C ATOM 631 C LEU A 116 3.510 8.304 9.166 1.00 0.00 C ATOM 632 O LEU A 116 2.832 7.926 10.121 1.00 0.00 O ATOM 633 CB LEU A 116 3.292 6.914 7.114 1.00 0.00 C ATOM 634 CG LEU A 116 4.051 6.185 5.993 1.00 0.00 C ATOM 635 CD1 LEU A 116 5.082 7.114 5.342 1.00 0.00 C ATOM 636 CD2 LEU A 116 4.770 4.972 6.571 1.00 0.00 C ATOM 0 H LEU A 116 3.932 5.333 8.992 1.00 0.00 H new ATOM 0 HA LEU A 116 5.143 7.699 7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.486 6.278 7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.829 7.816 6.713 1.00 0.00 H new ATOM 0 HG LEU A 116 3.331 5.871 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.607 6.578 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.574 7.980 4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.798 7.446 6.093 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.308 4.455 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.476 5.297 7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.041 4.295 7.016 1.00 0.00 H new ATOM 648 N THR A 117 3.647 9.585 8.851 1.00 0.00 N ATOM 649 CA THR A 117 2.985 10.612 9.642 1.00 0.00 C ATOM 650 C THR A 117 1.652 10.974 8.996 1.00 0.00 C ATOM 651 O THR A 117 1.297 10.434 7.950 1.00 0.00 O ATOM 652 CB THR A 117 3.866 11.859 9.751 1.00 0.00 C ATOM 653 OG1 THR A 117 3.867 12.544 8.512 1.00 0.00 O ATOM 654 CG2 THR A 117 5.294 11.444 10.103 1.00 0.00 C ATOM 0 H THR A 117 4.200 9.933 8.068 1.00 0.00 H new ATOM 0 HA THR A 117 2.810 10.224 10.645 1.00 0.00 H new ATOM 0 HB THR A 117 3.475 12.514 10.530 1.00 0.00 H new ATOM 0 HG1 THR A 117 4.136 11.929 7.798 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.922 12.331 10.181 1.00 0.00 H new ATOM 0 HG22 THR A 117 5.295 10.914 11.056 1.00 0.00 H new ATOM 0 HG23 THR A 117 5.685 10.790 9.324 1.00 0.00 H new ATOM 662 N ASP A 118 0.917 11.882 9.621 1.00 0.00 N ATOM 663 CA ASP A 118 -0.374 12.291 9.085 1.00 0.00 C ATOM 664 C ASP A 118 -0.206 12.892 7.694 1.00 0.00 C ATOM 665 O ASP A 118 -1.024 12.657 6.804 1.00 0.00 O ATOM 666 CB ASP A 118 -1.024 13.319 10.012 1.00 0.00 C ATOM 667 CG ASP A 118 -1.486 12.643 11.299 1.00 0.00 C ATOM 668 OD1 ASP A 118 -1.525 11.424 11.323 1.00 0.00 O ATOM 669 OD2 ASP A 118 -1.795 13.355 12.241 1.00 0.00 O ATOM 0 H ASP A 118 1.187 12.345 10.489 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.014 11.411 9.016 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.314 14.113 10.243 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.872 13.786 9.512 1.00 0.00 H new ATOM 674 N GLU A 119 0.855 13.670 7.513 1.00 0.00 N ATOM 675 CA GLU A 119 1.116 14.303 6.224 1.00 0.00 C ATOM 676 C GLU A 119 1.341 13.255 5.133 1.00 0.00 C ATOM 677 O GLU A 119 0.807 13.377 4.029 1.00 0.00 O ATOM 678 CB GLU A 119 2.347 15.209 6.330 1.00 0.00 C ATOM 679 CG GLU A 119 2.588 15.921 4.995 1.00 0.00 C ATOM 680 CD GLU A 119 3.763 16.883 5.124 1.00 0.00 C ATOM 681 OE1 GLU A 119 4.325 16.960 6.205 1.00 0.00 O ATOM 682 OE2 GLU A 119 4.085 17.530 4.141 1.00 0.00 O ATOM 0 H GLU A 119 1.544 13.877 8.236 1.00 0.00 H new ATOM 0 HA GLU A 119 0.244 14.899 5.954 1.00 0.00 H new ATOM 0 HB2 GLU A 119 2.202 15.943 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.222 14.618 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 119 2.791 15.188 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.692 16.466 4.697 1.00 0.00 H new ATOM 689 N GLU A 120 2.112 12.216 5.448 1.00 0.00 N ATOM 690 CA GLU A 120 2.366 11.160 4.480 1.00 0.00 C ATOM 691 C GLU A 120 1.125 10.306 4.258 1.00 0.00 C ATOM 692 O GLU A 120 0.780 9.991 3.124 1.00 0.00 O ATOM 693 CB GLU A 120 3.502 10.271 4.967 1.00 0.00 C ATOM 694 CG GLU A 120 4.838 10.946 4.664 1.00 0.00 C ATOM 695 CD GLU A 120 4.822 12.392 5.141 1.00 0.00 C ATOM 696 OE1 GLU A 120 4.430 12.619 6.268 1.00 0.00 O ATOM 697 OE2 GLU A 120 5.200 13.255 4.365 1.00 0.00 O ATOM 0 H GLU A 120 2.564 12.086 6.353 1.00 0.00 H new ATOM 0 HA GLU A 120 2.640 11.631 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 120 3.406 10.093 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 120 3.454 9.299 4.477 1.00 0.00 H new ATOM 0 HG2 GLU A 120 5.646 10.404 5.154 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.035 10.912 3.593 1.00 0.00 H new ATOM 704 N VAL A 121 0.456 9.943 5.348 1.00 0.00 N ATOM 705 CA VAL A 121 -0.750 9.126 5.264 1.00 0.00 C ATOM 706 C VAL A 121 -1.861 9.892 4.550 1.00 0.00 C ATOM 707 O VAL A 121 -2.592 9.330 3.739 1.00 0.00 O ATOM 708 CB VAL A 121 -1.215 8.739 6.677 1.00 0.00 C ATOM 709 CG1 VAL A 121 -2.577 8.057 6.599 1.00 0.00 C ATOM 710 CG2 VAL A 121 -0.210 7.776 7.327 1.00 0.00 C ATOM 0 H VAL A 121 0.727 10.201 6.297 1.00 0.00 H new ATOM 0 HA VAL A 121 -0.523 8.223 4.697 1.00 0.00 H new ATOM 0 HB VAL A 121 -1.285 9.644 7.280 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -2.905 7.783 7.602 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.301 8.740 6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.500 7.160 5.985 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.554 7.512 8.327 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.127 6.873 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.765 8.259 7.394 1.00 0.00 H new ATOM 720 N ASP A 122 -2.003 11.175 4.864 1.00 0.00 N ATOM 721 CA ASP A 122 -3.054 11.977 4.249 1.00 0.00 C ATOM 722 C ASP A 122 -2.999 11.848 2.730 1.00 0.00 C ATOM 723 O ASP A 122 -4.029 11.701 2.071 1.00 0.00 O ATOM 724 CB ASP A 122 -2.887 13.445 4.645 1.00 0.00 C ATOM 725 CG ASP A 122 -4.003 14.281 4.027 1.00 0.00 C ATOM 726 OD1 ASP A 122 -5.140 14.106 4.431 1.00 0.00 O ATOM 727 OD2 ASP A 122 -3.703 15.084 3.158 1.00 0.00 O ATOM 0 H ASP A 122 -1.414 11.676 5.530 1.00 0.00 H new ATOM 0 HA ASP A 122 -4.020 11.614 4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.907 13.542 5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.917 13.813 4.310 1.00 0.00 H new ATOM 732 N GLU A 123 -1.792 11.889 2.184 1.00 0.00 N ATOM 733 CA GLU A 123 -1.606 11.759 0.743 1.00 0.00 C ATOM 734 C GLU A 123 -2.073 10.389 0.278 1.00 0.00 C ATOM 735 O GLU A 123 -2.599 10.237 -0.827 1.00 0.00 O ATOM 736 CB GLU A 123 -0.126 11.900 0.386 1.00 0.00 C ATOM 737 CG GLU A 123 0.358 13.313 0.694 1.00 0.00 C ATOM 738 CD GLU A 123 -0.301 14.310 -0.252 1.00 0.00 C ATOM 739 OE1 GLU A 123 -0.783 13.885 -1.289 1.00 0.00 O ATOM 740 OE2 GLU A 123 -0.316 15.486 0.075 1.00 0.00 O ATOM 0 H GLU A 123 -0.929 12.011 2.713 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.186 12.542 0.255 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.462 11.176 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.023 11.679 -0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.122 13.569 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.442 13.365 0.592 1.00 0.00 H new ATOM 747 N MET A 124 -1.891 9.399 1.139 1.00 0.00 N ATOM 748 CA MET A 124 -2.303 8.040 0.833 1.00 0.00 C ATOM 749 C MET A 124 -3.819 7.919 0.932 1.00 0.00 C ATOM 750 O MET A 124 -4.442 7.195 0.161 1.00 0.00 O ATOM 751 CB MET A 124 -1.634 7.080 1.817 1.00 0.00 C ATOM 752 CG MET A 124 -0.120 7.198 1.660 1.00 0.00 C ATOM 753 SD MET A 124 0.717 6.212 2.924 1.00 0.00 S ATOM 754 CE MET A 124 0.296 4.591 2.257 1.00 0.00 C ATOM 0 H MET A 124 -1.460 9.513 2.056 1.00 0.00 H new ATOM 0 HA MET A 124 -2.001 7.788 -0.183 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.928 7.320 2.839 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.956 6.056 1.625 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.178 6.859 0.668 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.181 8.242 1.744 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.983 3.844 2.654 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.724 4.334 2.543 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.374 4.613 1.170 1.00 0.00 H new ATOM 764 N ILE A 125 -4.392 8.628 1.907 1.00 0.00 N ATOM 765 CA ILE A 125 -5.835 8.599 2.142 1.00 0.00 C ATOM 766 C ILE A 125 -6.614 9.087 0.921 1.00 0.00 C ATOM 767 O ILE A 125 -7.638 8.503 0.565 1.00 0.00 O ATOM 768 CB ILE A 125 -6.166 9.454 3.375 1.00 0.00 C ATOM 769 CG1 ILE A 125 -6.511 8.536 4.558 1.00 0.00 C ATOM 770 CG2 ILE A 125 -7.337 10.415 3.111 1.00 0.00 C ATOM 771 CD1 ILE A 125 -5.313 7.635 4.882 1.00 0.00 C ATOM 0 H ILE A 125 -3.876 9.231 2.548 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.136 7.567 2.323 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.288 10.057 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.774 9.135 5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.381 7.926 4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.537 11.000 4.009 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.080 11.085 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.225 9.842 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.562 6.986 5.721 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.070 7.025 4.012 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.454 8.252 5.144 1.00 0.00 H new ATOM 783 N ARG A 126 -6.145 10.160 0.288 1.00 0.00 N ATOM 784 CA ARG A 126 -6.848 10.691 -0.876 1.00 0.00 C ATOM 785 C ARG A 126 -6.916 9.639 -1.979 1.00 0.00 C ATOM 786 O ARG A 126 -7.997 9.204 -2.372 1.00 0.00 O ATOM 787 CB ARG A 126 -6.122 11.927 -1.404 1.00 0.00 C ATOM 788 CG ARG A 126 -7.119 12.799 -2.168 1.00 0.00 C ATOM 789 CD ARG A 126 -6.402 13.561 -3.281 1.00 0.00 C ATOM 790 NE ARG A 126 -7.366 14.352 -4.036 1.00 0.00 N ATOM 791 CZ ARG A 126 -7.650 15.609 -3.702 1.00 0.00 C ATOM 792 NH1 ARG A 126 -7.066 16.166 -2.676 1.00 0.00 N ATOM 793 NH2 ARG A 126 -8.521 16.286 -4.401 1.00 0.00 N ATOM 0 H ARG A 126 -5.301 10.668 0.553 1.00 0.00 H new ATOM 0 HA ARG A 126 -7.860 10.962 -0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -5.685 12.489 -0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -5.301 11.632 -2.058 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -7.908 12.178 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -7.598 13.501 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -5.638 14.211 -2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -5.893 12.862 -3.944 1.00 0.00 H new ATOM 0 HE ARG A 126 -7.834 13.932 -4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.389 15.638 -2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -7.287 17.129 -2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -8.982 15.851 -5.201 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -8.741 17.249 -4.147 1.00 0.00 H new ATOM 807 N GLU A 127 -5.751 9.260 -2.491 1.00 0.00 N ATOM 808 CA GLU A 127 -5.671 8.285 -3.574 1.00 0.00 C ATOM 809 C GLU A 127 -6.250 6.935 -3.161 1.00 0.00 C ATOM 810 O GLU A 127 -6.409 6.043 -3.993 1.00 0.00 O ATOM 811 CB GLU A 127 -4.209 8.115 -3.992 1.00 0.00 C ATOM 812 CG GLU A 127 -3.693 9.436 -4.569 1.00 0.00 C ATOM 813 CD GLU A 127 -2.229 9.300 -4.974 1.00 0.00 C ATOM 814 OE1 GLU A 127 -1.426 8.972 -4.118 1.00 0.00 O ATOM 815 OE2 GLU A 127 -1.935 9.528 -6.137 1.00 0.00 O ATOM 0 H GLU A 127 -4.848 9.613 -2.174 1.00 0.00 H new ATOM 0 HA GLU A 127 -6.261 8.656 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.605 7.819 -3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -4.120 7.321 -4.734 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -4.292 9.722 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.801 10.230 -3.830 1.00 0.00 H new ATOM 822 N ALA A 128 -6.567 6.787 -1.881 1.00 0.00 N ATOM 823 CA ALA A 128 -7.129 5.534 -1.390 1.00 0.00 C ATOM 824 C ALA A 128 -8.590 5.395 -1.802 1.00 0.00 C ATOM 825 O ALA A 128 -8.915 4.585 -2.665 1.00 0.00 O ATOM 826 CB ALA A 128 -7.028 5.500 0.134 1.00 0.00 C ATOM 0 H ALA A 128 -6.447 7.509 -1.171 1.00 0.00 H new ATOM 0 HA ALA A 128 -6.567 4.707 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -7.447 4.565 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -5.982 5.572 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -7.583 6.339 0.554 1.00 0.00 H new ATOM 832 N ASP A 129 -9.458 6.198 -1.177 1.00 0.00 N ATOM 833 CA ASP A 129 -10.895 6.175 -1.472 1.00 0.00 C ATOM 834 C ASP A 129 -11.688 6.813 -0.337 1.00 0.00 C ATOM 835 O ASP A 129 -11.996 8.004 -0.362 1.00 0.00 O ATOM 836 CB ASP A 129 -11.389 4.735 -1.662 1.00 0.00 C ATOM 837 CG ASP A 129 -12.901 4.674 -1.476 1.00 0.00 C ATOM 838 OD1 ASP A 129 -13.605 5.151 -2.351 1.00 0.00 O ATOM 839 OD2 ASP A 129 -13.334 4.151 -0.463 1.00 0.00 O ATOM 0 H ASP A 129 -9.189 6.874 -0.462 1.00 0.00 H new ATOM 0 HA ASP A 129 -11.049 6.740 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.122 4.378 -2.657 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -10.899 4.076 -0.945 1.00 0.00 H new ATOM 844 N ILE A 130 -12.019 5.985 0.647 1.00 0.00 N ATOM 845 CA ILE A 130 -12.795 6.416 1.809 1.00 0.00 C ATOM 846 C ILE A 130 -13.815 7.479 1.426 1.00 0.00 C ATOM 847 O ILE A 130 -14.038 8.434 2.172 1.00 0.00 O ATOM 848 CB ILE A 130 -11.900 6.959 2.930 1.00 0.00 C ATOM 849 CG1 ILE A 130 -10.557 6.213 2.985 1.00 0.00 C ATOM 850 CG2 ILE A 130 -12.625 6.784 4.267 1.00 0.00 C ATOM 851 CD1 ILE A 130 -9.429 7.167 2.596 1.00 0.00 C ATOM 0 H ILE A 130 -11.759 4.999 0.664 1.00 0.00 H new ATOM 0 HA ILE A 130 -13.314 5.531 2.177 1.00 0.00 H new ATOM 0 HB ILE A 130 -11.697 8.012 2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -10.387 5.821 3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -10.575 5.359 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -11.999 7.166 5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -13.566 7.334 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -12.827 5.726 4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.476 6.639 2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -9.598 7.537 1.585 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -9.407 8.007 3.291 1.00 0.00 H new ATOM 894 N GLY A 134 -15.279 3.294 3.520 1.00 0.00 N ATOM 895 CA GLY A 134 -14.162 2.806 4.327 1.00 0.00 C ATOM 896 C GLY A 134 -13.416 1.651 3.656 1.00 0.00 C ATOM 897 O GLY A 134 -12.863 0.790 4.341 1.00 0.00 O ATOM 0 HA2 GLY A 134 -13.467 3.625 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.535 2.479 5.298 1.00 0.00 H new ATOM 901 N GLN A 135 -13.386 1.641 2.322 1.00 0.00 N ATOM 902 CA GLN A 135 -12.680 0.585 1.590 1.00 0.00 C ATOM 903 C GLN A 135 -11.729 1.179 0.564 1.00 0.00 C ATOM 904 O GLN A 135 -11.978 2.250 0.014 1.00 0.00 O ATOM 905 CB GLN A 135 -13.669 -0.343 0.886 1.00 0.00 C ATOM 906 CG GLN A 135 -14.686 0.494 0.113 1.00 0.00 C ATOM 907 CD GLN A 135 -15.680 -0.417 -0.599 1.00 0.00 C ATOM 908 OE1 GLN A 135 -16.243 -1.323 0.014 1.00 0.00 O ATOM 909 NE2 GLN A 135 -15.929 -0.229 -1.865 1.00 0.00 N ATOM 0 H GLN A 135 -13.835 2.341 1.732 1.00 0.00 H new ATOM 0 HA GLN A 135 -12.106 0.010 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -13.139 -1.010 0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -14.178 -0.971 1.616 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -15.215 1.160 0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -14.173 1.124 -0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -15.461 0.523 -2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -16.592 -0.834 -2.350 1.00 0.00 H new ATOM 918 N VAL A 136 -10.633 0.470 0.326 1.00 0.00 N ATOM 919 CA VAL A 136 -9.619 0.916 -0.621 1.00 0.00 C ATOM 920 C VAL A 136 -9.251 -0.172 -1.620 1.00 0.00 C ATOM 921 O VAL A 136 -9.014 -1.322 -1.251 1.00 0.00 O ATOM 922 CB VAL A 136 -8.370 1.356 0.134 1.00 0.00 C ATOM 923 CG1 VAL A 136 -7.219 1.548 -0.852 1.00 0.00 C ATOM 924 CG2 VAL A 136 -8.660 2.672 0.842 1.00 0.00 C ATOM 0 H VAL A 136 -10.423 -0.420 0.778 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.037 1.753 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 136 -8.092 0.597 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.326 1.863 -0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -7.020 0.608 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.489 2.311 -1.582 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.773 2.996 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.931 3.429 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -9.484 2.535 1.542 1.00 0.00 H new ATOM 934 N ASN A 137 -9.180 0.218 -2.887 1.00 0.00 N ATOM 935 CA ASN A 137 -8.811 -0.707 -3.946 1.00 0.00 C ATOM 936 C ASN A 137 -7.301 -0.612 -4.177 1.00 0.00 C ATOM 937 O ASN A 137 -6.803 0.423 -4.621 1.00 0.00 O ATOM 938 CB ASN A 137 -9.566 -0.346 -5.226 1.00 0.00 C ATOM 939 CG ASN A 137 -9.415 -1.451 -6.263 1.00 0.00 C ATOM 940 OD1 ASN A 137 -9.142 -2.599 -5.912 1.00 0.00 O ATOM 941 ND2 ASN A 137 -9.601 -1.177 -7.525 1.00 0.00 N ATOM 0 H ASN A 137 -9.373 1.168 -3.204 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.072 -1.727 -3.663 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -10.621 -0.191 -5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -9.185 0.593 -5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -9.520 -1.915 -8.224 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -9.827 -0.225 -7.812 1.00 0.00 H new ATOM 948 N TYR A 138 -6.568 -1.671 -3.842 1.00 0.00 N ATOM 949 CA TYR A 138 -5.112 -1.653 -3.989 1.00 0.00 C ATOM 950 C TYR A 138 -4.665 -1.574 -5.450 1.00 0.00 C ATOM 951 O TYR A 138 -3.484 -1.364 -5.725 1.00 0.00 O ATOM 952 CB TYR A 138 -4.488 -2.885 -3.324 1.00 0.00 C ATOM 953 CG TYR A 138 -5.098 -4.156 -3.871 1.00 0.00 C ATOM 954 CD1 TYR A 138 -4.615 -4.711 -5.063 1.00 0.00 C ATOM 955 CD2 TYR A 138 -6.138 -4.788 -3.178 1.00 0.00 C ATOM 956 CE1 TYR A 138 -5.175 -5.896 -5.561 1.00 0.00 C ATOM 957 CE2 TYR A 138 -6.694 -5.973 -3.674 1.00 0.00 C ATOM 958 CZ TYR A 138 -6.213 -6.527 -4.866 1.00 0.00 C ATOM 959 OH TYR A 138 -6.762 -7.696 -5.354 1.00 0.00 O ATOM 0 H TYR A 138 -6.950 -2.541 -3.472 1.00 0.00 H new ATOM 0 HA TYR A 138 -4.762 -0.749 -3.491 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -3.411 -2.890 -3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -4.640 -2.838 -2.246 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -3.812 -4.226 -5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.512 -4.360 -2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -4.805 -6.322 -6.482 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -7.494 -6.460 -3.137 1.00 0.00 H new ATOM 0 HH TYR A 138 -7.083 -8.243 -4.607 1.00 0.00 H new ATOM 969 N GLU A 139 -5.592 -1.740 -6.388 1.00 0.00 N ATOM 970 CA GLU A 139 -5.224 -1.678 -7.802 1.00 0.00 C ATOM 971 C GLU A 139 -4.606 -0.325 -8.148 1.00 0.00 C ATOM 972 O GLU A 139 -3.531 -0.265 -8.746 1.00 0.00 O ATOM 973 CB GLU A 139 -6.458 -1.909 -8.682 1.00 0.00 C ATOM 974 CG GLU A 139 -6.558 -3.384 -9.086 1.00 0.00 C ATOM 975 CD GLU A 139 -6.791 -4.255 -7.858 1.00 0.00 C ATOM 976 OE1 GLU A 139 -7.326 -3.748 -6.888 1.00 0.00 O ATOM 977 OE2 GLU A 139 -6.427 -5.417 -7.906 1.00 0.00 O ATOM 0 H GLU A 139 -6.580 -1.914 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.488 -2.460 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -7.358 -1.611 -8.143 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -6.399 -1.284 -9.573 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.374 -3.519 -9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.642 -3.693 -9.591 1.00 0.00 H new ATOM 984 N GLU A 140 -5.287 0.760 -7.788 1.00 0.00 N ATOM 985 CA GLU A 140 -4.782 2.096 -8.093 1.00 0.00 C ATOM 986 C GLU A 140 -3.442 2.340 -7.409 1.00 0.00 C ATOM 987 O GLU A 140 -2.533 2.910 -8.006 1.00 0.00 O ATOM 988 CB GLU A 140 -5.789 3.154 -7.637 1.00 0.00 C ATOM 989 CG GLU A 140 -7.043 3.077 -8.508 1.00 0.00 C ATOM 990 CD GLU A 140 -6.728 3.557 -9.921 1.00 0.00 C ATOM 991 OE1 GLU A 140 -5.701 4.194 -10.094 1.00 0.00 O ATOM 992 OE2 GLU A 140 -7.517 3.280 -10.809 1.00 0.00 O ATOM 0 H GLU A 140 -6.178 0.742 -7.292 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.641 2.167 -9.172 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -6.050 2.995 -6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -5.345 4.147 -7.707 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -7.413 2.052 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -7.834 3.689 -8.075 1.00 0.00 H new ATOM 999 N PHE A 141 -3.317 1.882 -6.170 1.00 0.00 N ATOM 1000 CA PHE A 141 -2.064 2.046 -5.438 1.00 0.00 C ATOM 1001 C PHE A 141 -0.935 1.354 -6.184 1.00 0.00 C ATOM 1002 O PHE A 141 0.136 1.918 -6.355 1.00 0.00 O ATOM 1003 CB PHE A 141 -2.181 1.452 -4.030 1.00 0.00 C ATOM 1004 CG PHE A 141 -2.404 2.554 -3.023 1.00 0.00 C ATOM 1005 CD1 PHE A 141 -1.378 3.472 -2.770 1.00 0.00 C ATOM 1006 CD2 PHE A 141 -3.616 2.650 -2.326 1.00 0.00 C ATOM 1007 CE1 PHE A 141 -1.562 4.489 -1.830 1.00 0.00 C ATOM 1008 CE2 PHE A 141 -3.797 3.667 -1.382 1.00 0.00 C ATOM 1009 CZ PHE A 141 -2.771 4.586 -1.136 1.00 0.00 C ATOM 0 H PHE A 141 -4.055 1.401 -5.656 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.850 3.112 -5.356 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.007 0.742 -3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -1.274 0.900 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.442 3.394 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.408 1.941 -2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.771 5.199 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.730 3.743 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.914 5.372 -0.409 1.00 0.00 H new ATOM 1019 N VAL A 142 -1.187 0.137 -6.637 1.00 0.00 N ATOM 1020 CA VAL A 142 -0.178 -0.606 -7.378 1.00 0.00 C ATOM 1021 C VAL A 142 0.153 0.094 -8.694 1.00 0.00 C ATOM 1022 O VAL A 142 1.321 0.216 -9.061 1.00 0.00 O ATOM 1023 CB VAL A 142 -0.670 -2.031 -7.634 1.00 0.00 C ATOM 1024 CG1 VAL A 142 0.275 -2.730 -8.611 1.00 0.00 C ATOM 1025 CG2 VAL A 142 -0.688 -2.800 -6.308 1.00 0.00 C ATOM 0 H VAL A 142 -2.071 -0.354 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 142 0.734 -0.648 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.673 -2.002 -8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.076 -3.746 -8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.298 -2.180 -9.552 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.278 -2.764 -8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.038 -3.818 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.318 -2.829 -5.890 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.357 -2.301 -5.607 1.00 0.00 H new ATOM 1035 N GLN A 143 -0.875 0.557 -9.397 1.00 0.00 N ATOM 1036 CA GLN A 143 -0.657 1.247 -10.663 1.00 0.00 C ATOM 1037 C GLN A 143 0.135 2.530 -10.425 1.00 0.00 C ATOM 1038 O GLN A 143 1.064 2.849 -11.167 1.00 0.00 O ATOM 1039 CB GLN A 143 -2.000 1.572 -11.320 1.00 0.00 C ATOM 1040 CG GLN A 143 -2.651 0.276 -11.793 1.00 0.00 C ATOM 1041 CD GLN A 143 -4.071 0.555 -12.263 1.00 0.00 C ATOM 1042 OE1 GLN A 143 -4.731 1.464 -11.759 1.00 0.00 O ATOM 1043 NE2 GLN A 143 -4.580 -0.175 -13.211 1.00 0.00 N ATOM 0 H GLN A 143 -1.852 0.469 -9.118 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.088 0.598 -11.329 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -2.651 2.083 -10.611 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -1.853 2.248 -12.162 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -2.068 -0.159 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -2.663 -0.453 -10.983 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.030 -0.927 -13.626 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -5.529 0.005 -13.539 1.00 0.00 H new ATOM 1052 N MET A 144 -0.233 3.246 -9.369 1.00 0.00 N ATOM 1053 CA MET A 144 0.453 4.482 -9.008 1.00 0.00 C ATOM 1054 C MET A 144 1.851 4.171 -8.481 1.00 0.00 C ATOM 1055 O MET A 144 2.839 4.743 -8.939 1.00 0.00 O ATOM 1056 CB MET A 144 -0.388 5.236 -7.956 1.00 0.00 C ATOM 1057 CG MET A 144 0.506 5.947 -6.941 1.00 0.00 C ATOM 1058 SD MET A 144 -0.462 7.185 -6.038 1.00 0.00 S ATOM 1059 CE MET A 144 -1.232 6.070 -4.838 1.00 0.00 C ATOM 0 H MET A 144 -1.002 2.993 -8.748 1.00 0.00 H new ATOM 0 HA MET A 144 0.565 5.116 -9.887 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.029 5.964 -8.453 1.00 0.00 H new ATOM 0 HB3 MET A 144 -1.043 4.535 -7.439 1.00 0.00 H new ATOM 0 HG2 MET A 144 0.929 5.223 -6.245 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.342 6.426 -7.451 1.00 0.00 H new ATOM 0 HE1 MET A 144 -2.289 5.952 -5.077 1.00 0.00 H new ATOM 0 HE2 MET A 144 -0.740 5.098 -4.877 1.00 0.00 H new ATOM 0 HE3 MET A 144 -1.132 6.488 -3.836 1.00 0.00 H new ATOM 1069 N MET A 145 1.922 3.276 -7.512 1.00 0.00 N ATOM 1070 CA MET A 145 3.193 2.898 -6.904 1.00 0.00 C ATOM 1071 C MET A 145 4.145 2.247 -7.908 1.00 0.00 C ATOM 1072 O MET A 145 5.350 2.498 -7.876 1.00 0.00 O ATOM 1073 CB MET A 145 2.918 1.910 -5.772 1.00 0.00 C ATOM 1074 CG MET A 145 2.208 2.635 -4.624 1.00 0.00 C ATOM 1075 SD MET A 145 1.432 1.425 -3.521 1.00 0.00 S ATOM 1076 CE MET A 145 2.936 0.767 -2.768 1.00 0.00 C ATOM 0 H MET A 145 1.111 2.793 -7.125 1.00 0.00 H new ATOM 0 HA MET A 145 3.671 3.805 -6.534 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.301 1.088 -6.134 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.853 1.475 -5.419 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.922 3.242 -4.068 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.454 3.314 -5.022 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.672 0.007 -2.033 1.00 0.00 H new ATOM 0 HE2 MET A 145 3.565 0.323 -3.540 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.480 1.574 -2.277 1.00 0.00 H new ATOM 1214 N ASP B 35 -0.357 -10.856 13.731 1.00 0.00 N ATOM 1215 CA ASP B 35 0.592 -11.728 14.417 1.00 0.00 C ATOM 1216 C ASP B 35 1.584 -12.353 13.438 1.00 0.00 C ATOM 1217 O ASP B 35 2.761 -12.514 13.759 1.00 0.00 O ATOM 1218 CB ASP B 35 -0.164 -12.840 15.149 1.00 0.00 C ATOM 1219 CG ASP B 35 -0.902 -12.266 16.354 1.00 0.00 C ATOM 1220 OD1 ASP B 35 -0.614 -11.137 16.717 1.00 0.00 O ATOM 1221 OD2 ASP B 35 -1.745 -12.963 16.895 1.00 0.00 O ATOM 0 HA ASP B 35 1.149 -11.121 15.130 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -0.873 -13.316 14.471 1.00 0.00 H new ATOM 0 HB3 ASP B 35 0.534 -13.612 15.474 1.00 0.00 H new ATOM 1226 N ALA B 36 1.108 -12.714 12.252 1.00 0.00 N ATOM 1227 CA ALA B 36 1.978 -13.332 11.256 1.00 0.00 C ATOM 1228 C ALA B 36 3.136 -12.386 10.877 1.00 0.00 C ATOM 1229 O ALA B 36 2.886 -11.288 10.380 1.00 0.00 O ATOM 1230 CB ALA B 36 1.163 -13.643 9.998 1.00 0.00 C ATOM 0 H ALA B 36 0.139 -12.592 11.958 1.00 0.00 H new ATOM 0 HA ALA B 36 2.393 -14.247 11.679 1.00 0.00 H new ATOM 0 HB1 ALA B 36 1.809 -14.105 9.251 1.00 0.00 H new ATOM 0 HB2 ALA B 36 0.352 -14.327 10.250 1.00 0.00 H new ATOM 0 HB3 ALA B 36 0.747 -12.719 9.596 1.00 0.00 H new ATOM 1236 N PRO B 37 4.390 -12.776 11.065 1.00 0.00 N ATOM 1237 CA PRO B 37 5.557 -11.912 10.688 1.00 0.00 C ATOM 1238 C PRO B 37 5.486 -11.444 9.235 1.00 0.00 C ATOM 1239 O PRO B 37 5.988 -10.374 8.890 1.00 0.00 O ATOM 1240 CB PRO B 37 6.765 -12.830 10.880 1.00 0.00 C ATOM 1241 CG PRO B 37 6.337 -13.818 11.903 1.00 0.00 C ATOM 1242 CD PRO B 37 4.848 -14.047 11.669 1.00 0.00 C ATOM 0 HA PRO B 37 5.593 -11.003 11.288 1.00 0.00 H new ATOM 0 HB2 PRO B 37 7.040 -13.322 9.947 1.00 0.00 H new ATOM 0 HB3 PRO B 37 7.638 -12.269 11.214 1.00 0.00 H new ATOM 0 HG2 PRO B 37 6.895 -14.749 11.804 1.00 0.00 H new ATOM 0 HG3 PRO B 37 6.520 -13.442 12.909 1.00 0.00 H new ATOM 0 HD2 PRO B 37 4.672 -14.893 11.004 1.00 0.00 H new ATOM 0 HD3 PRO B 37 4.324 -14.260 12.601 1.00 0.00 H new ATOM 1250 N GLU B 38 4.868 -12.260 8.388 1.00 0.00 N ATOM 1251 CA GLU B 38 4.743 -11.934 6.973 1.00 0.00 C ATOM 1252 C GLU B 38 3.972 -10.632 6.787 1.00 0.00 C ATOM 1253 O GLU B 38 4.276 -9.842 5.895 1.00 0.00 O ATOM 1254 CB GLU B 38 4.021 -13.067 6.240 1.00 0.00 C ATOM 1255 CG GLU B 38 4.909 -14.313 6.221 1.00 0.00 C ATOM 1256 CD GLU B 38 6.117 -14.083 5.319 1.00 0.00 C ATOM 1257 OE1 GLU B 38 6.067 -13.164 4.518 1.00 0.00 O ATOM 1258 OE2 GLU B 38 7.074 -14.829 5.442 1.00 0.00 O ATOM 0 H GLU B 38 4.447 -13.150 8.656 1.00 0.00 H new ATOM 0 HA GLU B 38 5.743 -11.811 6.558 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.075 -13.289 6.735 1.00 0.00 H new ATOM 0 HB3 GLU B 38 3.784 -12.761 5.221 1.00 0.00 H new ATOM 0 HG2 GLU B 38 5.240 -14.548 7.232 1.00 0.00 H new ATOM 0 HG3 GLU B 38 4.338 -15.171 5.865 1.00 0.00 H new ATOM 1265 N THR B 39 2.969 -10.419 7.630 1.00 0.00 N ATOM 1266 CA THR B 39 2.157 -9.213 7.542 1.00 0.00 C ATOM 1267 C THR B 39 3.022 -7.967 7.717 1.00 0.00 C ATOM 1268 O THR B 39 2.877 -6.995 6.975 1.00 0.00 O ATOM 1269 CB THR B 39 1.070 -9.240 8.620 1.00 0.00 C ATOM 1270 OG1 THR B 39 0.235 -10.369 8.411 1.00 0.00 O ATOM 1271 CG2 THR B 39 0.232 -7.964 8.538 1.00 0.00 C ATOM 0 H THR B 39 2.700 -11.060 8.376 1.00 0.00 H new ATOM 0 HA THR B 39 1.693 -9.180 6.556 1.00 0.00 H new ATOM 0 HB THR B 39 1.534 -9.302 9.604 1.00 0.00 H new ATOM 0 HG1 THR B 39 -0.462 -10.392 9.100 1.00 0.00 H new ATOM 0 HG21 THR B 39 -0.541 -7.986 9.306 1.00 0.00 H new ATOM 0 HG22 THR B 39 0.874 -7.097 8.694 1.00 0.00 H new ATOM 0 HG23 THR B 39 -0.235 -7.898 7.555 1.00 0.00 H new ATOM 1279 N GLU B 40 3.916 -7.996 8.698 1.00 0.00 N ATOM 1280 CA GLU B 40 4.787 -6.853 8.947 1.00 0.00 C ATOM 1281 C GLU B 40 5.674 -6.579 7.735 1.00 0.00 C ATOM 1282 O GLU B 40 5.892 -5.425 7.365 1.00 0.00 O ATOM 1283 CB GLU B 40 5.663 -7.123 10.170 1.00 0.00 C ATOM 1284 CG GLU B 40 4.798 -7.105 11.432 1.00 0.00 C ATOM 1285 CD GLU B 40 5.623 -7.545 12.636 1.00 0.00 C ATOM 1286 OE1 GLU B 40 6.713 -8.051 12.429 1.00 0.00 O ATOM 1287 OE2 GLU B 40 5.152 -7.370 13.747 1.00 0.00 O ATOM 0 H GLU B 40 4.057 -8.787 9.327 1.00 0.00 H new ATOM 0 HA GLU B 40 4.163 -5.978 9.131 1.00 0.00 H new ATOM 0 HB2 GLU B 40 6.158 -8.089 10.070 1.00 0.00 H new ATOM 0 HB3 GLU B 40 6.447 -6.369 10.243 1.00 0.00 H new ATOM 0 HG2 GLU B 40 4.403 -6.103 11.598 1.00 0.00 H new ATOM 0 HG3 GLU B 40 3.942 -7.768 11.306 1.00 0.00 H new ATOM 1294 N ARG B 41 6.180 -7.643 7.119 1.00 0.00 N ATOM 1295 CA ARG B 41 7.040 -7.500 5.947 1.00 0.00 C ATOM 1296 C ARG B 41 6.272 -6.868 4.789 1.00 0.00 C ATOM 1297 O ARG B 41 6.810 -6.036 4.059 1.00 0.00 O ATOM 1298 CB ARG B 41 7.570 -8.875 5.513 1.00 0.00 C ATOM 1299 CG ARG B 41 8.526 -9.466 6.569 1.00 0.00 C ATOM 1300 CD ARG B 41 9.888 -8.752 6.544 1.00 0.00 C ATOM 1301 NE ARG B 41 10.807 -9.398 7.474 1.00 0.00 N ATOM 1302 CZ ARG B 41 10.856 -9.041 8.754 1.00 0.00 C ATOM 1303 NH1 ARG B 41 10.067 -8.103 9.205 1.00 0.00 N ATOM 1304 NH2 ARG B 41 11.695 -9.630 9.562 1.00 0.00 N ATOM 0 H ARG B 41 6.012 -8.607 7.408 1.00 0.00 H new ATOM 0 HA ARG B 41 7.875 -6.853 6.214 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.734 -9.556 5.355 1.00 0.00 H new ATOM 0 HB3 ARG B 41 8.090 -8.782 4.560 1.00 0.00 H new ATOM 0 HG2 ARG B 41 8.081 -9.373 7.560 1.00 0.00 H new ATOM 0 HG3 ARG B 41 8.666 -10.531 6.382 1.00 0.00 H new ATOM 0 HD2 ARG B 41 10.302 -8.775 5.536 1.00 0.00 H new ATOM 0 HD3 ARG B 41 9.763 -7.703 6.813 1.00 0.00 H new ATOM 0 HE ARG B 41 11.423 -10.137 7.136 1.00 0.00 H new ATOM 0 HH11 ARG B 41 9.411 -7.642 8.575 1.00 0.00 H new ATOM 0 HH12 ARG B 41 10.107 -7.832 10.187 1.00 0.00 H new ATOM 0 HH21 ARG B 41 12.312 -10.363 9.211 1.00 0.00 H new ATOM 0 HH22 ARG B 41 11.734 -9.357 10.544 1.00 0.00 H new ATOM 1318 N ALA B 42 5.015 -7.267 4.626 1.00 0.00 N ATOM 1319 CA ALA B 42 4.193 -6.728 3.549 1.00 0.00 C ATOM 1320 C ALA B 42 4.025 -5.220 3.708 1.00 0.00 C ATOM 1321 O ALA B 42 4.074 -4.472 2.732 1.00 0.00 O ATOM 1322 CB ALA B 42 2.818 -7.399 3.556 1.00 0.00 C ATOM 0 H ALA B 42 4.548 -7.953 5.218 1.00 0.00 H new ATOM 0 HA ALA B 42 4.691 -6.930 2.601 1.00 0.00 H new ATOM 0 HB1 ALA B 42 2.210 -6.991 2.749 1.00 0.00 H new ATOM 0 HB2 ALA B 42 2.937 -8.473 3.414 1.00 0.00 H new ATOM 0 HB3 ALA B 42 2.327 -7.212 4.511 1.00 0.00 H new ATOM 1328 N ALA B 43 3.828 -4.784 4.947 1.00 0.00 N ATOM 1329 CA ALA B 43 3.656 -3.365 5.231 1.00 0.00 C ATOM 1330 C ALA B 43 4.904 -2.577 4.842 1.00 0.00 C ATOM 1331 O ALA B 43 4.812 -1.465 4.323 1.00 0.00 O ATOM 1332 CB ALA B 43 3.368 -3.161 6.720 1.00 0.00 C ATOM 0 H ALA B 43 3.784 -5.389 5.767 1.00 0.00 H new ATOM 0 HA ALA B 43 2.815 -3.000 4.642 1.00 0.00 H new ATOM 0 HB1 ALA B 43 3.241 -2.098 6.924 1.00 0.00 H new ATOM 0 HB2 ALA B 43 2.456 -3.694 6.991 1.00 0.00 H new ATOM 0 HB3 ALA B 43 4.201 -3.546 7.308 1.00 0.00 H new ATOM 1338 N VAL B 44 6.071 -3.156 5.111 1.00 0.00 N ATOM 1339 CA VAL B 44 7.335 -2.494 4.800 1.00 0.00 C ATOM 1340 C VAL B 44 7.477 -2.233 3.303 1.00 0.00 C ATOM 1341 O VAL B 44 7.868 -1.141 2.894 1.00 0.00 O ATOM 1342 CB VAL B 44 8.507 -3.356 5.274 1.00 0.00 C ATOM 1343 CG1 VAL B 44 9.817 -2.771 4.744 1.00 0.00 C ATOM 1344 CG2 VAL B 44 8.543 -3.377 6.804 1.00 0.00 C ATOM 0 H VAL B 44 6.168 -4.076 5.541 1.00 0.00 H new ATOM 0 HA VAL B 44 7.342 -1.536 5.319 1.00 0.00 H new ATOM 0 HB VAL B 44 8.383 -4.372 4.900 1.00 0.00 H new ATOM 0 HG11 VAL B 44 10.652 -3.385 5.081 1.00 0.00 H new ATOM 0 HG12 VAL B 44 9.794 -2.756 3.654 1.00 0.00 H new ATOM 0 HG13 VAL B 44 9.939 -1.755 5.118 1.00 0.00 H new ATOM 0 HG21 VAL B 44 9.378 -3.991 7.140 1.00 0.00 H new ATOM 0 HG22 VAL B 44 8.666 -2.361 7.179 1.00 0.00 H new ATOM 0 HG23 VAL B 44 7.610 -3.794 7.184 1.00 0.00 H new ATOM 1354 N ALA B 45 7.171 -3.239 2.487 1.00 0.00 N ATOM 1355 CA ALA B 45 7.289 -3.084 1.040 1.00 0.00 C ATOM 1356 C ALA B 45 6.373 -1.973 0.542 1.00 0.00 C ATOM 1357 O ALA B 45 6.779 -1.139 -0.267 1.00 0.00 O ATOM 1358 CB ALA B 45 6.926 -4.397 0.344 1.00 0.00 C ATOM 0 H ALA B 45 6.845 -4.155 2.796 1.00 0.00 H new ATOM 0 HA ALA B 45 8.320 -2.820 0.805 1.00 0.00 H new ATOM 0 HB1 ALA B 45 7.016 -4.274 -0.735 1.00 0.00 H new ATOM 0 HB2 ALA B 45 7.602 -5.184 0.677 1.00 0.00 H new ATOM 0 HB3 ALA B 45 5.901 -4.670 0.593 1.00 0.00 H new ATOM 1364 N ILE B 46 5.142 -1.962 1.036 1.00 0.00 N ATOM 1365 CA ILE B 46 4.184 -0.939 0.638 1.00 0.00 C ATOM 1366 C ILE B 46 4.650 0.445 1.068 1.00 0.00 C ATOM 1367 O ILE B 46 4.637 1.387 0.277 1.00 0.00 O ATOM 1368 CB ILE B 46 2.825 -1.245 1.262 1.00 0.00 C ATOM 1369 CG1 ILE B 46 2.235 -2.483 0.585 1.00 0.00 C ATOM 1370 CG2 ILE B 46 1.888 -0.049 1.079 1.00 0.00 C ATOM 1371 CD1 ILE B 46 1.035 -2.980 1.387 1.00 0.00 C ATOM 0 H ILE B 46 4.786 -2.643 1.707 1.00 0.00 H new ATOM 0 HA ILE B 46 4.101 -0.946 -0.449 1.00 0.00 H new ATOM 0 HB ILE B 46 2.943 -1.435 2.329 1.00 0.00 H new ATOM 0 HG12 ILE B 46 1.931 -2.243 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE B 46 2.989 -3.267 0.516 1.00 0.00 H new ATOM 0 HG21 ILE B 46 0.920 -0.274 1.526 1.00 0.00 H new ATOM 0 HG22 ILE B 46 2.318 0.827 1.564 1.00 0.00 H new ATOM 0 HG23 ILE B 46 1.758 0.152 0.016 1.00 0.00 H new ATOM 0 HD11 ILE B 46 0.615 -3.862 0.904 1.00 0.00 H new ATOM 0 HD12 ILE B 46 1.354 -3.236 2.397 1.00 0.00 H new ATOM 0 HD13 ILE B 46 0.278 -2.197 1.433 1.00 0.00 H new ATOM 1383 N GLN B 47 5.061 0.561 2.325 1.00 0.00 N ATOM 1384 CA GLN B 47 5.527 1.838 2.843 1.00 0.00 C ATOM 1385 C GLN B 47 6.816 2.266 2.153 1.00 0.00 C ATOM 1386 O GLN B 47 6.991 3.437 1.819 1.00 0.00 O ATOM 1387 CB GLN B 47 5.760 1.734 4.348 1.00 0.00 C ATOM 1388 CG GLN B 47 4.412 1.588 5.058 1.00 0.00 C ATOM 1389 CD GLN B 47 4.625 1.532 6.564 1.00 0.00 C ATOM 1390 OE1 GLN B 47 5.235 2.427 7.136 1.00 0.00 O ATOM 1391 NE2 GLN B 47 4.160 0.529 7.245 1.00 0.00 N ATOM 0 H GLN B 47 5.081 -0.206 2.997 1.00 0.00 H new ATOM 0 HA GLN B 47 4.762 2.588 2.643 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.396 0.878 4.571 1.00 0.00 H new ATOM 0 HB3 GLN B 47 6.281 2.621 4.709 1.00 0.00 H new ATOM 0 HG2 GLN B 47 3.764 2.427 4.804 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.908 0.683 4.719 1.00 0.00 H new ATOM 0 HE21 GLN B 47 3.652 -0.217 6.771 1.00 0.00 H new ATOM 0 HE22 GLN B 47 4.303 0.488 8.254 1.00 0.00 H new ATOM 1400 N SER B 48 7.715 1.312 1.937 1.00 0.00 N ATOM 1401 CA SER B 48 8.979 1.615 1.282 1.00 0.00 C ATOM 1402 C SER B 48 8.731 2.097 -0.141 1.00 0.00 C ATOM 1403 O SER B 48 9.329 3.073 -0.591 1.00 0.00 O ATOM 1404 CB SER B 48 9.866 0.370 1.256 1.00 0.00 C ATOM 1405 OG SER B 48 10.221 0.020 2.588 1.00 0.00 O ATOM 0 H SER B 48 7.594 0.335 2.203 1.00 0.00 H new ATOM 0 HA SER B 48 9.483 2.403 1.842 1.00 0.00 H new ATOM 0 HB2 SER B 48 9.339 -0.456 0.778 1.00 0.00 H new ATOM 0 HB3 SER B 48 10.763 0.560 0.666 1.00 0.00 H new ATOM 0 HG SER B 48 9.474 -0.452 3.012 1.00 0.00 H new ATOM 1411 N GLN B 49 7.834 1.410 -0.839 1.00 0.00 N ATOM 1412 CA GLN B 49 7.502 1.779 -2.209 1.00 0.00 C ATOM 1413 C GLN B 49 6.803 3.135 -2.239 1.00 0.00 C ATOM 1414 O GLN B 49 7.043 3.948 -3.132 1.00 0.00 O ATOM 1415 CB GLN B 49 6.603 0.711 -2.839 1.00 0.00 C ATOM 1416 CG GLN B 49 6.399 1.010 -4.329 1.00 0.00 C ATOM 1417 CD GLN B 49 7.728 0.936 -5.074 1.00 0.00 C ATOM 1418 OE1 GLN B 49 8.416 -0.084 -5.018 1.00 0.00 O ATOM 1419 NE2 GLN B 49 8.132 1.961 -5.773 1.00 0.00 N ATOM 0 H GLN B 49 7.327 0.600 -0.482 1.00 0.00 H new ATOM 0 HA GLN B 49 8.425 1.849 -2.784 1.00 0.00 H new ATOM 0 HB2 GLN B 49 7.053 -0.274 -2.716 1.00 0.00 H new ATOM 0 HB3 GLN B 49 5.640 0.688 -2.329 1.00 0.00 H new ATOM 0 HG2 GLN B 49 5.695 0.296 -4.756 1.00 0.00 H new ATOM 0 HG3 GLN B 49 5.961 2.001 -4.451 1.00 0.00 H new ATOM 0 HE21 GLN B 49 7.561 2.805 -5.818 1.00 0.00 H new ATOM 0 HE22 GLN B 49 9.019 1.919 -6.274 1.00 0.00 H new ATOM 1428 N PHE B 50 5.933 3.369 -1.258 1.00 0.00 N ATOM 1429 CA PHE B 50 5.200 4.628 -1.183 1.00 0.00 C ATOM 1430 C PHE B 50 6.161 5.807 -1.080 1.00 0.00 C ATOM 1431 O PHE B 50 6.015 6.802 -1.791 1.00 0.00 O ATOM 1432 CB PHE B 50 4.252 4.624 0.023 1.00 0.00 C ATOM 1433 CG PHE B 50 3.589 5.977 0.135 1.00 0.00 C ATOM 1434 CD1 PHE B 50 2.740 6.418 -0.886 1.00 0.00 C ATOM 1435 CD2 PHE B 50 3.843 6.803 1.241 1.00 0.00 C ATOM 1436 CE1 PHE B 50 2.138 7.683 -0.802 1.00 0.00 C ATOM 1437 CE2 PHE B 50 3.245 8.069 1.322 1.00 0.00 C ATOM 1438 CZ PHE B 50 2.393 8.509 0.301 1.00 0.00 C ATOM 0 H PHE B 50 5.721 2.708 -0.511 1.00 0.00 H new ATOM 0 HA PHE B 50 4.614 4.733 -2.096 1.00 0.00 H new ATOM 0 HB2 PHE B 50 3.499 3.845 -0.093 1.00 0.00 H new ATOM 0 HB3 PHE B 50 4.805 4.399 0.935 1.00 0.00 H new ATOM 0 HD1 PHE B 50 2.548 5.785 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE B 50 4.499 6.464 2.029 1.00 0.00 H new ATOM 0 HE1 PHE B 50 1.478 8.020 -1.588 1.00 0.00 H new ATOM 0 HE2 PHE B 50 3.442 8.705 2.172 1.00 0.00 H new ATOM 0 HZ PHE B 50 1.933 9.484 0.364 1.00 0.00 H new ATOM 1448 N ARG B 51 7.138 5.693 -0.190 1.00 0.00 N ATOM 1449 CA ARG B 51 8.114 6.759 -0.004 1.00 0.00 C ATOM 1450 C ARG B 51 8.867 7.032 -1.304 1.00 0.00 C ATOM 1451 O ARG B 51 9.102 8.186 -1.662 1.00 0.00 O ATOM 1452 CB ARG B 51 9.106 6.371 1.096 1.00 0.00 C ATOM 1453 CG ARG B 51 10.098 7.515 1.320 1.00 0.00 C ATOM 1454 CD ARG B 51 10.993 7.187 2.516 1.00 0.00 C ATOM 1455 NE ARG B 51 10.208 7.168 3.745 1.00 0.00 N ATOM 1456 CZ ARG B 51 10.757 6.821 4.906 1.00 0.00 C ATOM 1457 NH1 ARG B 51 12.017 6.489 4.958 1.00 0.00 N ATOM 1458 NH2 ARG B 51 10.034 6.814 5.992 1.00 0.00 N ATOM 0 H ARG B 51 7.276 4.880 0.410 1.00 0.00 H new ATOM 0 HA ARG B 51 7.584 7.665 0.289 1.00 0.00 H new ATOM 0 HB2 ARG B 51 8.572 6.153 2.021 1.00 0.00 H new ATOM 0 HB3 ARG B 51 9.640 5.463 0.815 1.00 0.00 H new ATOM 0 HG2 ARG B 51 10.706 7.664 0.427 1.00 0.00 H new ATOM 0 HG3 ARG B 51 9.561 8.447 1.499 1.00 0.00 H new ATOM 0 HD2 ARG B 51 11.471 6.219 2.367 1.00 0.00 H new ATOM 0 HD3 ARG B 51 11.790 7.927 2.597 1.00 0.00 H new ATOM 0 HE ARG B 51 9.221 7.425 3.714 1.00 0.00 H new ATOM 0 HH11 ARG B 51 12.582 6.495 4.109 1.00 0.00 H new ATOM 0 HH12 ARG B 51 12.438 6.223 5.848 1.00 0.00 H new ATOM 0 HH21 ARG B 51 9.049 7.074 5.950 1.00 0.00 H new ATOM 0 HH22 ARG B 51 10.454 6.548 6.883 1.00 0.00 H new ATOM 1472 N LYS B 52 9.242 5.966 -2.006 1.00 0.00 N ATOM 1473 CA LYS B 52 9.967 6.116 -3.264 1.00 0.00 C ATOM 1474 C LYS B 52 9.118 6.881 -4.276 1.00 0.00 C ATOM 1475 O LYS B 52 9.623 7.734 -5.006 1.00 0.00 O ATOM 1476 CB LYS B 52 10.318 4.740 -3.831 1.00 0.00 C ATOM 1477 CG LYS B 52 11.386 4.081 -2.955 1.00 0.00 C ATOM 1478 CD LYS B 52 11.724 2.698 -3.516 1.00 0.00 C ATOM 1479 CE LYS B 52 12.826 2.057 -2.669 1.00 0.00 C ATOM 1480 NZ LYS B 52 12.329 1.856 -1.278 1.00 0.00 N ATOM 0 H LYS B 52 9.059 5.001 -1.730 1.00 0.00 H new ATOM 0 HA LYS B 52 10.883 6.674 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS B 52 9.427 4.113 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS B 52 10.682 4.839 -4.854 1.00 0.00 H new ATOM 0 HG2 LYS B 52 12.281 4.702 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS B 52 11.026 3.991 -1.930 1.00 0.00 H new ATOM 0 HD2 LYS B 52 10.836 2.066 -3.514 1.00 0.00 H new ATOM 0 HD3 LYS B 52 12.051 2.785 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS B 52 13.123 1.102 -3.102 1.00 0.00 H new ATOM 0 HE3 LYS B 52 13.711 2.693 -2.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 12.577 0.899 -0.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 12.767 2.558 -0.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 11.296 1.971 -1.259 1.00 0.00 H new ATOM 1494 N PHE B 53 7.825 6.577 -4.303 1.00 0.00 N ATOM 1495 CA PHE B 53 6.908 7.247 -5.218 1.00 0.00 C ATOM 1496 C PHE B 53 6.877 8.744 -4.927 1.00 0.00 C ATOM 1497 O PHE B 53 6.916 9.568 -5.841 1.00 0.00 O ATOM 1498 CB PHE B 53 5.498 6.671 -5.071 1.00 0.00 C ATOM 1499 CG PHE B 53 4.575 7.334 -6.070 1.00 0.00 C ATOM 1500 CD1 PHE B 53 4.423 6.790 -7.353 1.00 0.00 C ATOM 1501 CD2 PHE B 53 3.866 8.487 -5.712 1.00 0.00 C ATOM 1502 CE1 PHE B 53 3.563 7.401 -8.276 1.00 0.00 C ATOM 1503 CE2 PHE B 53 3.008 9.096 -6.634 1.00 0.00 C ATOM 1504 CZ PHE B 53 2.856 8.554 -7.916 1.00 0.00 C ATOM 0 H PHE B 53 7.390 5.875 -3.705 1.00 0.00 H new ATOM 0 HA PHE B 53 7.257 7.085 -6.238 1.00 0.00 H new ATOM 0 HB2 PHE B 53 5.515 5.594 -5.235 1.00 0.00 H new ATOM 0 HB3 PHE B 53 5.131 6.833 -4.058 1.00 0.00 H new ATOM 0 HD1 PHE B 53 4.969 5.900 -7.630 1.00 0.00 H new ATOM 0 HD2 PHE B 53 3.982 8.906 -4.724 1.00 0.00 H new ATOM 0 HE1 PHE B 53 3.446 6.982 -9.265 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.462 9.986 -6.356 1.00 0.00 H new ATOM 0 HZ PHE B 53 2.193 9.025 -8.627 1.00 0.00 H new ATOM 1514 N GLN B 54 6.789 9.084 -3.643 1.00 0.00 N ATOM 1515 CA GLN B 54 6.733 10.480 -3.228 1.00 0.00 C ATOM 1516 C GLN B 54 7.995 11.225 -3.653 1.00 0.00 C ATOM 1517 O GLN B 54 7.927 12.375 -4.088 1.00 0.00 O ATOM 1518 CB GLN B 54 6.595 10.561 -1.706 1.00 0.00 C ATOM 1519 CG GLN B 54 5.214 10.056 -1.287 1.00 0.00 C ATOM 1520 CD GLN B 54 5.082 10.105 0.232 1.00 0.00 C ATOM 1521 OE1 GLN B 54 5.923 9.559 0.947 1.00 0.00 O ATOM 1522 NE2 GLN B 54 4.070 10.730 0.770 1.00 0.00 N ATOM 0 H GLN B 54 6.755 8.413 -2.876 1.00 0.00 H new ATOM 0 HA GLN B 54 5.871 10.943 -3.708 1.00 0.00 H new ATOM 0 HB2 GLN B 54 7.372 9.964 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN B 54 6.733 11.590 -1.373 1.00 0.00 H new ATOM 0 HG2 GLN B 54 4.438 10.667 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN B 54 5.068 9.035 -1.641 1.00 0.00 H new ATOM 0 HE21 GLN B 54 3.375 11.181 0.176 1.00 0.00 H new ATOM 0 HE22 GLN B 54 3.974 10.767 1.785 1.00 0.00 H new ATOM 1531 N LYS B 55 9.143 10.570 -3.523 1.00 0.00 N ATOM 1532 CA LYS B 55 10.407 11.193 -3.898 1.00 0.00 C ATOM 1533 C LYS B 55 10.399 11.556 -5.380 1.00 0.00 C ATOM 1534 O LYS B 55 10.812 12.649 -5.763 1.00 0.00 O ATOM 1535 CB LYS B 55 11.568 10.239 -3.602 1.00 0.00 C ATOM 1536 CG LYS B 55 12.898 10.914 -3.951 1.00 0.00 C ATOM 1537 CD LYS B 55 14.055 9.975 -3.603 1.00 0.00 C ATOM 1538 CE LYS B 55 15.383 10.662 -3.926 1.00 0.00 C ATOM 1539 NZ LYS B 55 15.466 10.921 -5.390 1.00 0.00 N ATOM 0 H LYS B 55 9.225 9.618 -3.165 1.00 0.00 H new ATOM 0 HA LYS B 55 10.535 12.104 -3.314 1.00 0.00 H new ATOM 0 HB2 LYS B 55 11.559 9.956 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS B 55 11.453 9.322 -4.179 1.00 0.00 H new ATOM 0 HG2 LYS B 55 12.924 11.163 -5.012 1.00 0.00 H new ATOM 0 HG3 LYS B 55 12.998 11.850 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS B 55 14.018 9.710 -2.546 1.00 0.00 H new ATOM 0 HD3 LYS B 55 13.967 9.047 -4.167 1.00 0.00 H new ATOM 0 HE2 LYS B 55 15.463 11.599 -3.375 1.00 0.00 H new ATOM 0 HE3 LYS B 55 16.216 10.034 -3.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 16.460 11.064 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 15.079 10.107 -5.909 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 14.917 11.773 -5.623 1.00 0.00 H new