USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 576 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 144 MET CE :methyl -120:sc= -4.29! (180deg=-4.32!) USER MOD Set 1.2: B1919 TYR OH : rot 180:sc= -0.305 USER MOD Set 2.1: A 124 MET CE :methyl -169:sc= -7.08! (180deg=-8.01!) USER MOD Set 2.2: B1916 TYR OH : rot 21:sc= -0.905 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 53:sc= 0.079 USER MOD Single : A 107 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 109 MET CE :methyl -152:sc= -3.03 (180deg=-6.15!) USER MOD Single : A 110 THR OG1 : rot -112:sc= 1.13 USER MOD Single : A 111 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.091) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -92:sc= -0.0187 USER MOD Single : A 137 ASN : amide:sc= -4.42! C(o=-4.4!,f=-11!) USER MOD Single : A 138 TYR OH : rot 157:sc= -1.21 USER MOD Single : A 145 MET CE :methyl -149:sc= -3.4! (180deg=-5.16!) USER MOD Single : B1908 SER OG : rot 100:sc= -1.68! USER MOD Single : B1913 GLN : amide:sc= -2.69 K(o=-2.7,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 81 0.597 9.806 2.208 1.00 0.00 N ATOM 87 CA SER A 81 0.728 8.410 1.805 1.00 0.00 C ATOM 88 C SER A 81 1.738 7.676 2.682 1.00 0.00 C ATOM 89 O SER A 81 1.517 6.531 3.073 1.00 0.00 O ATOM 90 CB SER A 81 1.152 8.318 0.339 1.00 0.00 C ATOM 91 OG SER A 81 0.052 8.538 -0.526 1.00 0.00 O ATOM 0 HA SER A 81 -0.245 7.934 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.931 9.053 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.582 7.336 0.143 1.00 0.00 H new ATOM 0 HG SER A 81 0.351 8.475 -1.457 1.00 0.00 H new ATOM 97 N GLU A 82 2.851 8.339 2.981 1.00 0.00 N ATOM 98 CA GLU A 82 3.902 7.747 3.804 1.00 0.00 C ATOM 99 C GLU A 82 3.357 7.276 5.155 1.00 0.00 C ATOM 100 O GLU A 82 3.488 6.106 5.510 1.00 0.00 O ATOM 101 CB GLU A 82 5.040 8.756 4.014 1.00 0.00 C ATOM 102 CG GLU A 82 6.325 8.378 3.294 1.00 0.00 C ATOM 103 CD GLU A 82 7.548 8.469 4.188 1.00 0.00 C ATOM 104 OE1 GLU A 82 7.460 8.040 5.358 1.00 0.00 O1- ATOM 105 OE2 GLU A 82 8.592 8.969 3.719 1.00 0.00 O ATOM 0 H GLU A 82 3.049 9.288 2.665 1.00 0.00 H new ATOM 0 HA GLU A 82 4.289 6.874 3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.714 9.737 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.243 8.846 5.081 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.236 7.362 2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 82 6.460 9.033 2.433 1.00 0.00 H new ATOM 112 N GLU A 83 2.758 8.195 5.904 1.00 0.00 N ATOM 113 CA GLU A 83 2.210 7.873 7.218 1.00 0.00 C ATOM 114 C GLU A 83 1.003 6.942 7.114 1.00 0.00 C ATOM 115 O GLU A 83 0.914 5.946 7.832 1.00 0.00 O ATOM 116 CB GLU A 83 1.813 9.154 7.953 1.00 0.00 C ATOM 117 CG GLU A 83 1.853 9.025 9.466 1.00 0.00 C ATOM 118 CD GLU A 83 3.167 9.500 10.056 1.00 0.00 C ATOM 119 OE1 GLU A 83 3.344 10.727 10.200 1.00 0.00 O ATOM 120 OE2 GLU A 83 4.018 8.642 10.376 1.00 0.00 O1- ATOM 0 H GLU A 83 2.639 9.169 5.625 1.00 0.00 H new ATOM 0 HA GLU A 83 2.987 7.355 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.481 9.960 7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.807 9.441 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.035 9.602 9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.690 7.983 9.743 1.00 0.00 H new ATOM 127 N GLU A 84 0.072 7.277 6.229 1.00 0.00 N ATOM 128 CA GLU A 84 -1.134 6.473 6.047 1.00 0.00 C ATOM 129 C GLU A 84 -0.795 5.043 5.635 1.00 0.00 C ATOM 130 O GLU A 84 -1.320 4.084 6.200 1.00 0.00 O ATOM 131 CB GLU A 84 -2.044 7.116 4.998 1.00 0.00 C ATOM 132 CG GLU A 84 -2.715 8.393 5.476 1.00 0.00 C ATOM 133 CD GLU A 84 -3.837 8.130 6.462 1.00 0.00 C ATOM 134 OE1 GLU A 84 -3.811 7.070 7.121 1.00 0.00 O ATOM 135 OE2 GLU A 84 -4.741 8.985 6.574 1.00 0.00 O1- ATOM 0 H GLU A 84 0.127 8.098 5.626 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.655 6.434 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.458 7.336 4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.812 6.399 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.970 9.037 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.111 8.934 4.617 1.00 0.00 H new ATOM 142 N LEU A 85 0.081 4.908 4.645 1.00 0.00 N ATOM 143 CA LEU A 85 0.488 3.602 4.148 1.00 0.00 C ATOM 144 C LEU A 85 1.080 2.741 5.262 1.00 0.00 C ATOM 145 O LEU A 85 0.692 1.586 5.435 1.00 0.00 O ATOM 146 CB LEU A 85 1.496 3.795 3.012 1.00 0.00 C ATOM 147 CG LEU A 85 2.124 2.531 2.423 1.00 0.00 C ATOM 148 CD1 LEU A 85 3.206 1.971 3.336 1.00 0.00 C ATOM 149 CD2 LEU A 85 1.065 1.481 2.137 1.00 0.00 C ATOM 0 H LEU A 85 0.524 5.694 4.169 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.389 3.076 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.999 4.335 2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.300 4.435 3.376 1.00 0.00 H new ATOM 0 HG LEU A 85 2.595 2.807 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.632 1.073 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.990 2.716 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.772 1.722 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.537 0.592 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.554 1.218 3.063 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.343 1.878 1.424 1.00 0.00 H new ATOM 161 N ILE A 86 2.022 3.303 6.014 1.00 0.00 N ATOM 162 CA ILE A 86 2.662 2.573 7.105 1.00 0.00 C ATOM 163 C ILE A 86 1.632 2.099 8.131 1.00 0.00 C ATOM 164 O ILE A 86 1.721 0.982 8.641 1.00 0.00 O ATOM 165 CB ILE A 86 3.738 3.437 7.806 1.00 0.00 C ATOM 166 CG1 ILE A 86 4.779 3.905 6.790 1.00 0.00 C ATOM 167 CG2 ILE A 86 4.415 2.664 8.933 1.00 0.00 C ATOM 168 CD1 ILE A 86 5.463 5.198 7.175 1.00 0.00 C ATOM 0 H ILE A 86 2.358 4.258 5.889 1.00 0.00 H new ATOM 0 HA ILE A 86 3.147 1.701 6.666 1.00 0.00 H new ATOM 0 HB ILE A 86 3.245 4.307 8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.533 3.127 6.670 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.297 4.034 5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.166 3.296 9.407 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.669 2.370 9.672 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.894 1.773 8.527 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.188 5.468 6.408 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.719 5.990 7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 86 5.975 5.069 8.129 1.00 0.00 H new ATOM 180 N GLU A 87 0.655 2.949 8.427 1.00 0.00 N ATOM 181 CA GLU A 87 -0.386 2.605 9.390 1.00 0.00 C ATOM 182 C GLU A 87 -1.306 1.527 8.824 1.00 0.00 C ATOM 183 O GLU A 87 -1.608 0.536 9.490 1.00 0.00 O ATOM 184 CB GLU A 87 -1.199 3.846 9.759 1.00 0.00 C ATOM 185 CG GLU A 87 -2.079 3.656 10.983 1.00 0.00 C ATOM 186 CD GLU A 87 -1.277 3.367 12.237 1.00 0.00 C ATOM 187 OE1 GLU A 87 -0.154 3.899 12.361 1.00 0.00 O ATOM 188 OE2 GLU A 87 -1.773 2.608 13.097 1.00 0.00 O1- ATOM 0 H GLU A 87 0.562 3.878 8.016 1.00 0.00 H new ATOM 0 HA GLU A 87 0.094 2.217 10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.517 4.677 9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.825 4.125 8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.678 4.553 11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.774 2.836 10.803 1.00 0.00 H new ATOM 195 N ALA A 88 -1.742 1.730 7.585 1.00 0.00 N ATOM 196 CA ALA A 88 -2.624 0.781 6.920 1.00 0.00 C ATOM 197 C ALA A 88 -1.963 -0.587 6.801 1.00 0.00 C ATOM 198 O ALA A 88 -2.541 -1.603 7.188 1.00 0.00 O ATOM 199 CB ALA A 88 -3.012 1.299 5.547 1.00 0.00 C ATOM 0 H ALA A 88 -1.498 2.545 7.022 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.525 0.672 7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.671 0.581 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.528 2.253 5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.115 1.436 4.943 1.00 0.00 H new ATOM 205 N PHE A 89 -0.747 -0.607 6.266 1.00 0.00 N ATOM 206 CA PHE A 89 -0.010 -1.853 6.104 1.00 0.00 C ATOM 207 C PHE A 89 0.266 -2.483 7.459 1.00 0.00 C ATOM 208 O PHE A 89 0.248 -3.705 7.608 1.00 0.00 O ATOM 209 CB PHE A 89 1.305 -1.616 5.349 1.00 0.00 C ATOM 210 CG PHE A 89 1.290 -2.067 3.909 1.00 0.00 C ATOM 211 CD1 PHE A 89 0.606 -3.211 3.516 1.00 0.00 C ATOM 212 CD2 PHE A 89 1.971 -1.340 2.945 1.00 0.00 C ATOM 213 CE1 PHE A 89 0.604 -3.616 2.196 1.00 0.00 C ATOM 214 CE2 PHE A 89 1.972 -1.742 1.624 1.00 0.00 C ATOM 215 CZ PHE A 89 1.288 -2.880 1.249 1.00 0.00 C ATOM 0 H PHE A 89 -0.253 0.223 5.938 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.622 -2.537 5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.541 -0.552 5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.108 -2.136 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.069 -3.791 4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.508 -0.448 3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.068 -4.507 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.508 -1.166 0.884 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.288 -3.195 0.216 1.00 0.00 H new ATOM 225 N LYS A 90 0.516 -1.633 8.446 1.00 0.00 N ATOM 226 CA LYS A 90 0.795 -2.081 9.812 1.00 0.00 C ATOM 227 C LYS A 90 -0.276 -3.058 10.289 1.00 0.00 C ATOM 228 O LYS A 90 0.027 -4.084 10.899 1.00 0.00 O ATOM 229 CB LYS A 90 0.875 -0.877 10.758 1.00 0.00 C ATOM 230 CG LYS A 90 2.296 -0.503 11.144 1.00 0.00 C ATOM 231 CD LYS A 90 2.316 0.540 12.250 1.00 0.00 C ATOM 232 CE LYS A 90 3.689 1.177 12.391 1.00 0.00 C ATOM 233 NZ LYS A 90 4.587 0.367 13.259 1.00 0.00 N1+ ATOM 0 H LYS A 90 0.532 -0.620 8.328 1.00 0.00 H new ATOM 0 HA LYS A 90 1.755 -2.597 9.816 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.398 -0.020 10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.307 -1.097 11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.831 -1.394 11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.822 -0.119 10.270 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.576 1.312 12.037 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.030 0.076 13.194 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.141 1.290 11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.584 2.178 12.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.514 0.834 13.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.168 0.281 14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.707 -0.580 12.846 1.00 0.00 H new ATOM 247 N VAL A 91 -1.530 -2.736 9.989 1.00 0.00 N ATOM 248 CA VAL A 91 -2.647 -3.590 10.369 1.00 0.00 C ATOM 249 C VAL A 91 -2.521 -4.973 9.732 1.00 0.00 C ATOM 250 O VAL A 91 -3.035 -5.958 10.260 1.00 0.00 O ATOM 251 CB VAL A 91 -3.994 -2.967 9.958 1.00 0.00 C ATOM 252 CG1 VAL A 91 -5.153 -3.776 10.521 1.00 0.00 C ATOM 253 CG2 VAL A 91 -4.073 -1.518 10.416 1.00 0.00 C ATOM 0 H VAL A 91 -1.797 -1.891 9.484 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.618 -3.688 11.454 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.065 -2.985 8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.096 -3.320 10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.105 -4.796 10.139 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.090 -3.793 11.609 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.031 -1.094 10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.979 -1.474 11.501 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.265 -0.947 9.958 1.00 0.00 H new ATOM 263 N PHE A 92 -1.832 -5.042 8.592 1.00 0.00 N ATOM 264 CA PHE A 92 -1.642 -6.306 7.887 1.00 0.00 C ATOM 265 C PHE A 92 -0.183 -6.756 7.942 1.00 0.00 C ATOM 266 O PHE A 92 0.285 -7.470 7.057 1.00 0.00 O ATOM 267 CB PHE A 92 -2.077 -6.176 6.428 1.00 0.00 C ATOM 268 CG PHE A 92 -3.516 -5.784 6.256 1.00 0.00 C ATOM 269 CD1 PHE A 92 -4.532 -6.639 6.647 1.00 0.00 C ATOM 270 CD2 PHE A 92 -3.850 -4.561 5.697 1.00 0.00 C ATOM 271 CE1 PHE A 92 -5.857 -6.282 6.487 1.00 0.00 C ATOM 272 CE2 PHE A 92 -5.173 -4.198 5.532 1.00 0.00 C ATOM 273 CZ PHE A 92 -6.178 -5.059 5.928 1.00 0.00 C ATOM 0 H PHE A 92 -1.398 -4.238 8.139 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.258 -7.055 8.384 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -1.447 -5.435 5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.906 -7.126 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.286 -7.596 7.082 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.068 -3.884 5.387 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.641 -6.957 6.798 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.421 -3.242 5.094 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.213 -4.777 5.801 1.00 0.00 H new ATOM 352 N GLY A 98 7.447 -5.452 10.474 1.00 0.00 N ATOM 353 CA GLY A 98 6.920 -4.470 9.544 1.00 0.00 C ATOM 354 C GLY A 98 6.946 -4.952 8.107 1.00 0.00 C ATOM 355 O GLY A 98 7.281 -4.193 7.198 1.00 0.00 O ATOM 0 HA2 GLY A 98 5.895 -4.226 9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.500 -3.551 9.625 1.00 0.00 H new ATOM 359 N LEU A 99 6.590 -6.217 7.897 1.00 0.00 N ATOM 360 CA LEU A 99 6.574 -6.789 6.555 1.00 0.00 C ATOM 361 C LEU A 99 5.201 -7.361 6.215 1.00 0.00 C ATOM 362 O LEU A 99 4.358 -7.548 7.091 1.00 0.00 O ATOM 363 CB LEU A 99 7.648 -7.870 6.418 1.00 0.00 C ATOM 364 CG LEU A 99 9.031 -7.481 6.956 1.00 0.00 C ATOM 365 CD1 LEU A 99 9.277 -8.117 8.317 1.00 0.00 C ATOM 366 CD2 LEU A 99 10.127 -7.882 5.979 1.00 0.00 C ATOM 0 H LEU A 99 6.310 -6.862 8.636 1.00 0.00 H new ATOM 0 HA LEU A 99 6.791 -5.988 5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 99 7.310 -8.765 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.745 -8.133 5.365 1.00 0.00 H new ATOM 0 HG LEU A 99 9.054 -6.397 7.070 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.263 -7.828 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.517 -7.777 9.020 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.227 -9.202 8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.098 -7.595 6.383 1.00 0.00 H new ATOM 0 HD22 LEU A 99 10.102 -8.961 5.827 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.968 -7.377 5.026 1.00 0.00 H new ATOM 378 N ILE A 100 4.982 -7.629 4.930 1.00 0.00 N ATOM 379 CA ILE A 100 3.711 -8.172 4.468 1.00 0.00 C ATOM 380 C ILE A 100 3.918 -9.152 3.314 1.00 0.00 C ATOM 381 O ILE A 100 4.787 -8.953 2.466 1.00 0.00 O ATOM 382 CB ILE A 100 2.751 -7.044 4.024 1.00 0.00 C ATOM 383 CG1 ILE A 100 1.377 -7.622 3.674 1.00 0.00 C ATOM 384 CG2 ILE A 100 3.326 -6.273 2.841 1.00 0.00 C ATOM 385 CD1 ILE A 100 0.229 -6.687 3.991 1.00 0.00 C ATOM 0 H ILE A 100 5.669 -7.478 4.192 1.00 0.00 H new ATOM 0 HA ILE A 100 3.264 -8.705 5.307 1.00 0.00 H new ATOM 0 HB ILE A 100 2.635 -6.348 4.855 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.354 -7.865 2.612 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.235 -8.556 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.632 -5.485 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.280 -5.829 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.478 -6.953 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.713 -7.162 3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.226 -6.463 5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.347 -5.762 3.426 1.00 0.00 H new ATOM 397 N SER A 101 3.114 -10.211 3.291 1.00 0.00 N ATOM 398 CA SER A 101 3.210 -11.221 2.242 1.00 0.00 C ATOM 399 C SER A 101 2.399 -10.810 1.017 1.00 0.00 C ATOM 400 O SER A 101 1.275 -10.324 1.138 1.00 0.00 O ATOM 401 CB SER A 101 2.723 -12.575 2.761 1.00 0.00 C ATOM 402 OG SER A 101 1.788 -12.413 3.814 1.00 0.00 O ATOM 0 H SER A 101 2.390 -10.392 3.986 1.00 0.00 H new ATOM 0 HA SER A 101 4.257 -11.308 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 101 2.264 -13.136 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.573 -13.160 3.112 1.00 0.00 H new ATOM 0 HG SER A 101 1.070 -11.812 3.524 1.00 0.00 H new ATOM 408 N ALA A 102 2.978 -11.008 -0.163 1.00 0.00 N ATOM 409 CA ALA A 102 2.310 -10.656 -1.411 1.00 0.00 C ATOM 410 C ALA A 102 1.152 -11.603 -1.705 1.00 0.00 C ATOM 411 O ALA A 102 0.127 -11.195 -2.251 1.00 0.00 O ATOM 412 CB ALA A 102 3.306 -10.667 -2.562 1.00 0.00 C ATOM 0 H ALA A 102 3.908 -11.410 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 102 1.902 -9.651 -1.303 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.795 -10.403 -3.488 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.098 -9.944 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.740 -11.662 -2.658 1.00 0.00 H new ATOM 418 N ALA A 103 1.321 -12.870 -1.341 1.00 0.00 N ATOM 419 CA ALA A 103 0.290 -13.877 -1.569 1.00 0.00 C ATOM 420 C ALA A 103 -1.015 -13.498 -0.877 1.00 0.00 C ATOM 421 O ALA A 103 -2.079 -13.492 -1.496 1.00 0.00 O ATOM 422 CB ALA A 103 0.768 -15.238 -1.088 1.00 0.00 C ATOM 0 H ALA A 103 2.163 -13.224 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 103 0.099 -13.927 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.011 -15.980 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.669 -15.521 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.989 -15.190 -0.022 1.00 0.00 H new ATOM 428 N GLU A 104 -0.927 -13.185 0.412 1.00 0.00 N ATOM 429 CA GLU A 104 -2.102 -12.807 1.190 1.00 0.00 C ATOM 430 C GLU A 104 -2.506 -11.364 0.907 1.00 0.00 C ATOM 431 O GLU A 104 -3.693 -11.037 0.879 1.00 0.00 O ATOM 432 CB GLU A 104 -1.829 -12.990 2.683 1.00 0.00 C ATOM 433 CG GLU A 104 -2.141 -14.388 3.191 1.00 0.00 C ATOM 434 CD GLU A 104 -3.411 -14.440 4.019 1.00 0.00 C ATOM 435 OE1 GLU A 104 -4.496 -14.633 3.431 1.00 0.00 O1- ATOM 436 OE2 GLU A 104 -3.321 -14.286 5.255 1.00 0.00 O ATOM 0 H GLU A 104 -0.054 -13.186 0.940 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.926 -13.457 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.781 -12.765 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.422 -12.268 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.237 -15.065 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.305 -14.747 3.792 1.00 0.00 H new ATOM 443 N LEU A 105 -1.515 -10.504 0.702 1.00 0.00 N ATOM 444 CA LEU A 105 -1.766 -9.094 0.425 1.00 0.00 C ATOM 445 C LEU A 105 -2.635 -8.921 -0.818 1.00 0.00 C ATOM 446 O LEU A 105 -3.491 -8.038 -0.870 1.00 0.00 O ATOM 447 CB LEU A 105 -0.442 -8.347 0.244 1.00 0.00 C ATOM 448 CG LEU A 105 -0.571 -6.870 -0.135 1.00 0.00 C ATOM 449 CD1 LEU A 105 -1.478 -6.142 0.845 1.00 0.00 C ATOM 450 CD2 LEU A 105 0.800 -6.212 -0.184 1.00 0.00 C ATOM 0 H LEU A 105 -0.528 -10.759 0.722 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.302 -8.675 1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.126 -8.419 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.140 -8.853 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.020 -6.808 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.557 -5.093 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.468 -6.597 0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.060 -6.213 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.690 -5.162 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.275 -6.287 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.419 -6.716 -0.927 1.00 0.00 H new ATOM 462 N ARG A 106 -2.406 -9.764 -1.819 1.00 0.00 N ATOM 463 CA ARG A 106 -3.165 -9.697 -3.063 1.00 0.00 C ATOM 464 C ARG A 106 -4.653 -9.926 -2.813 1.00 0.00 C ATOM 465 O ARG A 106 -5.491 -9.142 -3.252 1.00 0.00 O ATOM 466 CB ARG A 106 -2.639 -10.728 -4.063 1.00 0.00 C ATOM 467 CG ARG A 106 -3.367 -10.709 -5.399 1.00 0.00 C ATOM 468 CD ARG A 106 -2.443 -11.087 -6.548 1.00 0.00 C ATOM 469 NE ARG A 106 -2.706 -12.439 -7.040 1.00 0.00 N ATOM 470 CZ ARG A 106 -2.233 -13.548 -6.469 1.00 0.00 C ATOM 471 NH1 ARG A 106 -1.470 -13.479 -5.384 1.00 0.00 N1+ ATOM 472 NH2 ARG A 106 -2.527 -14.732 -6.987 1.00 0.00 N ATOM 0 H ARG A 106 -1.702 -10.501 -1.794 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.038 -8.698 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.578 -10.547 -4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.726 -11.723 -3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -4.208 -11.402 -5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.779 -9.715 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.567 -10.374 -7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.407 -11.016 -6.218 1.00 0.00 H new ATOM 0 HE ARG A 106 -3.288 -12.540 -7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.240 -12.571 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -1.114 -14.334 -4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -3.113 -14.793 -7.820 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.167 -15.582 -6.553 1.00 0.00 H new ATOM 486 N HIS A 107 -4.971 -11.008 -2.111 1.00 0.00 N ATOM 487 CA HIS A 107 -6.359 -11.346 -1.811 1.00 0.00 C ATOM 488 C HIS A 107 -7.016 -10.276 -0.942 1.00 0.00 C ATOM 489 O HIS A 107 -8.146 -9.863 -1.199 1.00 0.00 O ATOM 490 CB HIS A 107 -6.429 -12.704 -1.107 1.00 0.00 C ATOM 491 CG HIS A 107 -7.825 -13.150 -0.798 1.00 0.00 C ATOM 492 ND1 HIS A 107 -8.534 -14.017 -1.601 1.00 0.00 N ATOM 493 CD2 HIS A 107 -8.643 -12.846 0.237 1.00 0.00 C ATOM 494 CE1 HIS A 107 -9.728 -14.225 -1.077 1.00 0.00 C ATOM 495 NE2 HIS A 107 -9.819 -13.526 0.039 1.00 0.00 N ATOM 0 H HIS A 107 -4.287 -11.667 -1.739 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.903 -11.398 -2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.948 -13.454 -1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.860 -12.652 -0.179 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -8.413 -12.191 1.064 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.498 -14.859 -1.491 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -10.632 -13.496 0.655 1.00 0.00 H new ATOM 504 N VAL A 108 -6.305 -9.838 0.090 1.00 0.00 N ATOM 505 CA VAL A 108 -6.822 -8.824 1.004 1.00 0.00 C ATOM 506 C VAL A 108 -7.218 -7.544 0.270 1.00 0.00 C ATOM 507 O VAL A 108 -8.376 -7.133 0.305 1.00 0.00 O ATOM 508 CB VAL A 108 -5.787 -8.478 2.095 1.00 0.00 C ATOM 509 CG1 VAL A 108 -6.396 -7.554 3.142 1.00 0.00 C ATOM 510 CG2 VAL A 108 -5.239 -9.745 2.742 1.00 0.00 C ATOM 0 H VAL A 108 -5.367 -10.169 0.316 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.711 -9.251 1.468 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.956 -7.954 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -5.649 -7.323 3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.726 -6.631 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.249 -8.046 3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.511 -9.477 3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.056 -10.304 3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.757 -10.362 1.983 1.00 0.00 H new ATOM 520 N MET A 109 -6.245 -6.912 -0.373 1.00 0.00 N ATOM 521 CA MET A 109 -6.484 -5.664 -1.090 1.00 0.00 C ATOM 522 C MET A 109 -7.521 -5.824 -2.200 1.00 0.00 C ATOM 523 O MET A 109 -8.444 -5.016 -2.313 1.00 0.00 O ATOM 524 CB MET A 109 -5.174 -5.138 -1.676 1.00 0.00 C ATOM 525 CG MET A 109 -4.081 -4.940 -0.638 1.00 0.00 C ATOM 526 SD MET A 109 -4.355 -3.483 0.388 1.00 0.00 S ATOM 527 CE MET A 109 -3.463 -3.943 1.870 1.00 0.00 C ATOM 0 H MET A 109 -5.281 -7.243 -0.413 1.00 0.00 H new ATOM 0 HA MET A 109 -6.882 -4.948 -0.371 1.00 0.00 H new ATOM 0 HB2 MET A 109 -4.820 -5.834 -2.436 1.00 0.00 H new ATOM 0 HB3 MET A 109 -5.365 -4.189 -2.177 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.025 -5.823 -0.001 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.119 -4.849 -1.142 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.909 -3.447 2.732 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.516 -5.023 2.006 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.420 -3.640 1.776 1.00 0.00 H new ATOM 537 N THR A 110 -7.368 -6.853 -3.024 1.00 0.00 N ATOM 538 CA THR A 110 -8.297 -7.088 -4.126 1.00 0.00 C ATOM 539 C THR A 110 -9.699 -7.403 -3.614 1.00 0.00 C ATOM 540 O THR A 110 -10.692 -6.946 -4.178 1.00 0.00 O ATOM 541 CB THR A 110 -7.799 -8.227 -5.015 1.00 0.00 C ATOM 542 OG1 THR A 110 -7.723 -9.439 -4.287 1.00 0.00 O ATOM 543 CG2 THR A 110 -6.437 -7.958 -5.615 1.00 0.00 C ATOM 0 H THR A 110 -6.614 -7.536 -2.952 1.00 0.00 H new ATOM 0 HA THR A 110 -8.347 -6.172 -4.715 1.00 0.00 H new ATOM 0 HB THR A 110 -8.526 -8.305 -5.824 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.784 -9.700 -4.184 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.139 -8.803 -6.235 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.480 -7.057 -6.226 1.00 0.00 H new ATOM 0 HG23 THR A 110 -5.708 -7.820 -4.816 1.00 0.00 H new ATOM 551 N ASN A 111 -9.772 -8.189 -2.547 1.00 0.00 N ATOM 552 CA ASN A 111 -11.056 -8.565 -1.968 1.00 0.00 C ATOM 553 C ASN A 111 -11.721 -7.393 -1.244 1.00 0.00 C ATOM 554 O ASN A 111 -12.905 -7.461 -0.911 1.00 0.00 O ATOM 555 CB ASN A 111 -10.875 -9.736 -0.999 1.00 0.00 C ATOM 556 CG ASN A 111 -12.196 -10.351 -0.581 1.00 0.00 C ATOM 557 OD1 ASN A 111 -12.686 -11.288 -1.212 1.00 0.00 O ATOM 558 ND2 ASN A 111 -12.782 -9.826 0.489 1.00 0.00 N ATOM 0 H ASN A 111 -8.960 -8.577 -2.066 1.00 0.00 H new ATOM 0 HA ASN A 111 -11.709 -8.865 -2.788 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.254 -10.499 -1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.341 -9.392 -0.113 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.673 -10.199 0.817 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.341 -9.050 0.983 1.00 0.00 H new ATOM 565 N LEU A 112 -10.966 -6.322 -0.987 1.00 0.00 N ATOM 566 CA LEU A 112 -11.514 -5.162 -0.290 1.00 0.00 C ATOM 567 C LEU A 112 -11.497 -3.906 -1.160 1.00 0.00 C ATOM 568 O LEU A 112 -11.139 -3.947 -2.349 1.00 0.00 O ATOM 569 CB LEU A 112 -10.743 -4.912 1.005 1.00 0.00 C ATOM 570 CG LEU A 112 -9.280 -4.513 0.826 1.00 0.00 C ATOM 571 CD1 LEU A 112 -9.154 -3.010 0.629 1.00 0.00 C ATOM 572 CD2 LEU A 112 -8.464 -4.969 2.024 1.00 0.00 C ATOM 0 H LEU A 112 -9.984 -6.236 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 112 -12.555 -5.385 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -11.251 -4.127 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -10.784 -5.815 1.613 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.891 -5.004 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.104 -2.746 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.712 -2.711 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.556 -2.494 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.422 -4.679 1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.854 -4.502 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.530 -6.053 2.118 1.00 0.00 H new ATOM 584 N GLY A 113 -11.901 -2.788 -0.550 1.00 0.00 N ATOM 585 CA GLY A 113 -11.950 -1.524 -1.254 1.00 0.00 C ATOM 586 C GLY A 113 -12.946 -1.568 -2.389 1.00 0.00 C ATOM 587 O GLY A 113 -14.052 -2.084 -2.230 1.00 0.00 O ATOM 0 H GLY A 113 -12.196 -2.742 0.425 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.221 -0.729 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.961 -1.284 -1.644 1.00 0.00 H new ATOM 591 N GLU A 114 -12.549 -1.059 -3.543 1.00 0.00 N ATOM 592 CA GLU A 114 -13.413 -1.080 -4.711 1.00 0.00 C ATOM 593 C GLU A 114 -13.021 -2.251 -5.602 1.00 0.00 C ATOM 594 O GLU A 114 -12.918 -2.117 -6.822 1.00 0.00 O ATOM 595 CB GLU A 114 -13.312 0.237 -5.484 1.00 0.00 C ATOM 596 CG GLU A 114 -11.886 0.725 -5.671 1.00 0.00 C ATOM 597 CD GLU A 114 -11.721 1.581 -6.910 1.00 0.00 C ATOM 598 OE1 GLU A 114 -12.655 2.346 -7.232 1.00 0.00 O ATOM 599 OE2 GLU A 114 -10.659 1.488 -7.559 1.00 0.00 O1- ATOM 0 H GLU A 114 -11.637 -0.628 -3.696 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.447 -1.199 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.775 0.111 -6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.883 1.002 -4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.584 1.299 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.218 -0.134 -5.735 1.00 0.00 H new ATOM 606 N LYS A 115 -12.776 -3.400 -4.971 1.00 0.00 N ATOM 607 CA LYS A 115 -12.364 -4.596 -5.686 1.00 0.00 C ATOM 608 C LYS A 115 -11.036 -4.341 -6.388 1.00 0.00 C ATOM 609 O LYS A 115 -10.946 -4.399 -7.616 1.00 0.00 O ATOM 610 CB LYS A 115 -13.436 -5.014 -6.697 1.00 0.00 C ATOM 611 CG LYS A 115 -14.726 -5.494 -6.049 1.00 0.00 C ATOM 612 CD LYS A 115 -14.526 -6.810 -5.313 1.00 0.00 C ATOM 613 CE LYS A 115 -15.278 -6.831 -3.992 1.00 0.00 C ATOM 614 NZ LYS A 115 -15.739 -8.201 -3.637 1.00 0.00 N1+ ATOM 0 H LYS A 115 -12.858 -3.522 -3.962 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.237 -5.410 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.659 -4.169 -7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.038 -5.808 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.087 -4.738 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -15.494 -5.616 -6.813 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.867 -7.634 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.463 -6.968 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -14.633 -6.449 -3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.137 -6.163 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.247 -8.172 -2.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.375 -8.556 -4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -14.917 -8.833 -3.554 1.00 0.00 H new ATOM 628 N LEU A 116 -10.001 -4.037 -5.598 1.00 0.00 N ATOM 629 CA LEU A 116 -8.671 -3.749 -6.153 1.00 0.00 C ATOM 630 C LEU A 116 -8.253 -4.779 -7.205 1.00 0.00 C ATOM 631 O LEU A 116 -8.255 -5.983 -6.948 1.00 0.00 O ATOM 632 CB LEU A 116 -7.619 -3.685 -5.043 1.00 0.00 C ATOM 633 CG LEU A 116 -6.531 -2.623 -5.242 1.00 0.00 C ATOM 634 CD1 LEU A 116 -5.465 -2.745 -4.166 1.00 0.00 C ATOM 635 CD2 LEU A 116 -5.904 -2.746 -6.623 1.00 0.00 C ATOM 0 H LEU A 116 -10.055 -3.984 -4.581 1.00 0.00 H new ATOM 0 HA LEU A 116 -8.736 -2.777 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.123 -3.494 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -7.142 -4.661 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.996 -1.640 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.701 -1.984 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.920 -2.606 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.008 -3.733 -4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.135 -1.983 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.456 -3.733 -6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -6.672 -2.610 -7.385 1.00 0.00 H new ATOM 647 N THR A 117 -7.904 -4.289 -8.391 1.00 0.00 N ATOM 648 CA THR A 117 -7.490 -5.153 -9.491 1.00 0.00 C ATOM 649 C THR A 117 -6.242 -5.951 -9.132 1.00 0.00 C ATOM 650 O THR A 117 -5.420 -5.515 -8.323 1.00 0.00 O ATOM 651 CB THR A 117 -7.230 -4.320 -10.747 1.00 0.00 C ATOM 652 OG1 THR A 117 -6.673 -3.063 -10.408 1.00 0.00 O ATOM 653 CG2 THR A 117 -8.476 -4.066 -11.567 1.00 0.00 C ATOM 0 H THR A 117 -7.900 -3.294 -8.615 1.00 0.00 H new ATOM 0 HA THR A 117 -8.299 -5.857 -9.684 1.00 0.00 H new ATOM 0 HB THR A 117 -6.537 -4.910 -11.346 1.00 0.00 H new ATOM 0 HG1 THR A 117 -7.391 -2.405 -10.300 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.220 -3.470 -12.443 1.00 0.00 H new ATOM 0 HG22 THR A 117 -8.901 -5.017 -11.887 1.00 0.00 H new ATOM 0 HG23 THR A 117 -9.206 -3.528 -10.962 1.00 0.00 H new ATOM 661 N ASP A 118 -6.106 -7.124 -9.744 1.00 0.00 N ATOM 662 CA ASP A 118 -4.960 -7.989 -9.499 1.00 0.00 C ATOM 663 C ASP A 118 -3.683 -7.377 -10.068 1.00 0.00 C ATOM 664 O ASP A 118 -2.592 -7.586 -9.538 1.00 0.00 O ATOM 665 CB ASP A 118 -5.195 -9.368 -10.117 1.00 0.00 C ATOM 666 CG ASP A 118 -4.134 -10.373 -9.714 1.00 0.00 C ATOM 667 OD1 ASP A 118 -3.050 -10.375 -10.335 1.00 0.00 O ATOM 668 OD2 ASP A 118 -4.385 -11.157 -8.774 1.00 0.00 O1- ATOM 0 H ASP A 118 -6.778 -7.497 -10.415 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.842 -8.095 -8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -6.175 -9.737 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -5.212 -9.278 -11.203 1.00 0.00 H new ATOM 673 N ASP A 119 -3.828 -6.620 -11.152 1.00 0.00 N ATOM 674 CA ASP A 119 -2.687 -5.979 -11.796 1.00 0.00 C ATOM 675 C ASP A 119 -2.091 -4.895 -10.904 1.00 0.00 C ATOM 676 O ASP A 119 -0.877 -4.829 -10.717 1.00 0.00 O ATOM 677 CB ASP A 119 -3.106 -5.376 -13.138 1.00 0.00 C ATOM 678 CG ASP A 119 -3.641 -6.420 -14.099 1.00 0.00 C ATOM 679 OD1 ASP A 119 -4.358 -7.335 -13.644 1.00 0.00 O1- ATOM 680 OD2 ASP A 119 -3.342 -6.322 -15.309 1.00 0.00 O ATOM 0 H ASP A 119 -4.724 -6.436 -11.602 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.926 -6.740 -11.967 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -3.869 -4.616 -12.969 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -2.251 -4.874 -13.590 1.00 0.00 H new ATOM 685 N GLU A 120 -2.953 -4.043 -10.358 1.00 0.00 N ATOM 686 CA GLU A 120 -2.510 -2.960 -9.488 1.00 0.00 C ATOM 687 C GLU A 120 -1.778 -3.505 -8.266 1.00 0.00 C ATOM 688 O GLU A 120 -0.777 -2.938 -7.826 1.00 0.00 O ATOM 689 CB GLU A 120 -3.703 -2.111 -9.046 1.00 0.00 C ATOM 690 CG GLU A 120 -4.056 -1.002 -10.024 1.00 0.00 C ATOM 691 CD GLU A 120 -4.384 0.306 -9.329 1.00 0.00 C ATOM 692 OE1 GLU A 120 -3.493 0.858 -8.649 1.00 0.00 O1- ATOM 693 OE2 GLU A 120 -5.533 0.779 -9.466 1.00 0.00 O ATOM 0 H GLU A 120 -3.962 -4.082 -10.503 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.818 -2.336 -10.053 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.570 -2.758 -8.915 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.484 -1.670 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.222 -0.847 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.909 -1.313 -10.627 1.00 0.00 H new ATOM 700 N VAL A 121 -2.283 -4.606 -7.721 1.00 0.00 N ATOM 701 CA VAL A 121 -1.675 -5.225 -6.550 1.00 0.00 C ATOM 702 C VAL A 121 -0.439 -6.034 -6.936 1.00 0.00 C ATOM 703 O VAL A 121 0.514 -6.135 -6.166 1.00 0.00 O ATOM 704 CB VAL A 121 -2.678 -6.132 -5.805 1.00 0.00 C ATOM 705 CG1 VAL A 121 -3.140 -7.276 -6.695 1.00 0.00 C ATOM 706 CG2 VAL A 121 -2.068 -6.662 -4.515 1.00 0.00 C ATOM 0 H VAL A 121 -3.111 -5.088 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.375 -4.418 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.551 -5.532 -5.548 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -3.846 -7.901 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -3.626 -6.872 -7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -2.280 -7.876 -6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -2.791 -7.299 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -1.174 -7.241 -4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.801 -5.826 -3.868 1.00 0.00 H new ATOM 716 N ASP A 122 -0.465 -6.614 -8.132 1.00 0.00 N ATOM 717 CA ASP A 122 0.653 -7.416 -8.618 1.00 0.00 C ATOM 718 C ASP A 122 1.845 -6.533 -8.981 1.00 0.00 C ATOM 719 O ASP A 122 2.997 -6.959 -8.888 1.00 0.00 O ATOM 720 CB ASP A 122 0.225 -8.240 -9.834 1.00 0.00 C ATOM 721 CG ASP A 122 1.267 -9.268 -10.240 1.00 0.00 C ATOM 722 OD1 ASP A 122 2.389 -9.232 -9.690 1.00 0.00 O ATOM 723 OD2 ASP A 122 0.960 -10.111 -11.109 1.00 0.00 O1- ATOM 0 H ASP A 122 -1.248 -6.544 -8.782 1.00 0.00 H new ATOM 0 HA ASP A 122 0.957 -8.090 -7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -0.714 -8.748 -9.612 1.00 0.00 H new ATOM 0 HB3 ASP A 122 0.034 -7.571 -10.673 1.00 0.00 H new ATOM 728 N GLU A 123 1.562 -5.305 -9.406 1.00 0.00 N ATOM 729 CA GLU A 123 2.611 -4.369 -9.794 1.00 0.00 C ATOM 730 C GLU A 123 3.259 -3.714 -8.577 1.00 0.00 C ATOM 731 O GLU A 123 4.462 -3.450 -8.572 1.00 0.00 O ATOM 732 CB GLU A 123 2.040 -3.291 -10.720 1.00 0.00 C ATOM 733 CG GLU A 123 3.076 -2.290 -11.203 1.00 0.00 C ATOM 734 CD GLU A 123 3.533 -2.562 -12.623 1.00 0.00 C ATOM 735 OE1 GLU A 123 2.872 -2.072 -13.564 1.00 0.00 O1- ATOM 736 OE2 GLU A 123 4.551 -3.263 -12.795 1.00 0.00 O ATOM 0 H GLU A 123 0.615 -4.935 -9.490 1.00 0.00 H new ATOM 0 HA GLU A 123 3.379 -4.934 -10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.582 -3.772 -11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.248 -2.756 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.658 -1.285 -11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 123 3.938 -2.315 -10.537 1.00 0.00 H new ATOM 743 N MET A 124 2.459 -3.442 -7.551 1.00 0.00 N ATOM 744 CA MET A 124 2.966 -2.803 -6.342 1.00 0.00 C ATOM 745 C MET A 124 3.765 -3.781 -5.478 1.00 0.00 C ATOM 746 O MET A 124 4.726 -3.390 -4.816 1.00 0.00 O ATOM 747 CB MET A 124 1.816 -2.193 -5.535 1.00 0.00 C ATOM 748 CG MET A 124 0.905 -3.220 -4.880 1.00 0.00 C ATOM 749 SD MET A 124 1.093 -3.286 -3.085 1.00 0.00 S ATOM 750 CE MET A 124 -0.242 -4.396 -2.643 1.00 0.00 C ATOM 0 H MET A 124 1.461 -3.653 -7.532 1.00 0.00 H new ATOM 0 HA MET A 124 3.643 -2.006 -6.650 1.00 0.00 H new ATOM 0 HB2 MET A 124 2.231 -1.546 -4.762 1.00 0.00 H new ATOM 0 HB3 MET A 124 1.220 -1.561 -6.193 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.131 -2.986 -5.123 1.00 0.00 H new ATOM 0 HG3 MET A 124 1.116 -4.204 -5.298 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.382 -4.385 -1.562 1.00 0.00 H new ATOM 0 HE2 MET A 124 -1.161 -4.072 -3.131 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.004 -5.407 -2.967 1.00 0.00 H new ATOM 760 N ILE A 125 3.361 -5.047 -5.481 1.00 0.00 N ATOM 761 CA ILE A 125 4.043 -6.065 -4.688 1.00 0.00 C ATOM 762 C ILE A 125 5.380 -6.458 -5.312 1.00 0.00 C ATOM 763 O ILE A 125 6.382 -6.606 -4.611 1.00 0.00 O ATOM 764 CB ILE A 125 3.167 -7.324 -4.513 1.00 0.00 C ATOM 765 CG1 ILE A 125 2.869 -7.968 -5.875 1.00 0.00 C ATOM 766 CG2 ILE A 125 1.874 -6.969 -3.780 1.00 0.00 C ATOM 767 CD1 ILE A 125 1.925 -9.151 -5.802 1.00 0.00 C ATOM 0 H ILE A 125 2.568 -5.392 -6.021 1.00 0.00 H new ATOM 0 HA ILE A 125 4.229 -5.626 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 125 3.713 -8.050 -3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.441 -7.215 -6.536 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.807 -8.292 -6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.265 -7.865 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 125 2.113 -6.561 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 125 1.321 -6.227 -4.356 1.00 0.00 H new ATOM 0 HD11 ILE A 125 1.764 -9.550 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 125 2.359 -9.924 -5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.972 -8.830 -5.382 1.00 0.00 H new ATOM 779 N ARG A 126 5.389 -6.627 -6.629 1.00 0.00 N ATOM 780 CA ARG A 126 6.603 -7.005 -7.343 1.00 0.00 C ATOM 781 C ARG A 126 7.689 -5.947 -7.173 1.00 0.00 C ATOM 782 O ARG A 126 8.879 -6.259 -7.182 1.00 0.00 O ATOM 783 CB ARG A 126 6.303 -7.210 -8.830 1.00 0.00 C ATOM 784 CG ARG A 126 7.096 -8.348 -9.457 1.00 0.00 C ATOM 785 CD ARG A 126 7.689 -7.950 -10.800 1.00 0.00 C ATOM 786 NE ARG A 126 6.857 -8.389 -11.920 1.00 0.00 N ATOM 787 CZ ARG A 126 7.086 -8.065 -13.193 1.00 0.00 C ATOM 788 NH1 ARG A 126 8.120 -7.299 -13.521 1.00 0.00 N1+ ATOM 789 NH2 ARG A 126 6.275 -8.511 -14.143 1.00 0.00 N ATOM 0 H ARG A 126 4.569 -6.508 -7.224 1.00 0.00 H new ATOM 0 HA ARG A 126 6.965 -7.942 -6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.238 -7.408 -8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.520 -6.287 -9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 126 7.896 -8.649 -8.781 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.447 -9.214 -9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.805 -6.867 -10.838 1.00 0.00 H new ATOM 0 HD3 ARG A 126 8.685 -8.381 -10.898 1.00 0.00 H new ATOM 0 HE ARG A 126 6.051 -8.980 -11.714 1.00 0.00 H new ATOM 0 HH11 ARG A 126 8.748 -6.952 -12.796 1.00 0.00 H new ATOM 0 HH12 ARG A 126 8.286 -7.057 -14.498 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.479 -9.100 -13.899 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.447 -8.265 -15.118 1.00 0.00 H new ATOM 803 N GLU A 127 7.270 -4.695 -7.020 1.00 0.00 N ATOM 804 CA GLU A 127 8.206 -3.591 -6.851 1.00 0.00 C ATOM 805 C GLU A 127 8.532 -3.360 -5.376 1.00 0.00 C ATOM 806 O GLU A 127 9.589 -2.824 -5.045 1.00 0.00 O ATOM 807 CB GLU A 127 7.629 -2.313 -7.462 1.00 0.00 C ATOM 808 CG GLU A 127 8.687 -1.372 -8.018 1.00 0.00 C ATOM 809 CD GLU A 127 9.309 -1.886 -9.300 1.00 0.00 C ATOM 810 OE1 GLU A 127 10.163 -2.794 -9.223 1.00 0.00 O ATOM 811 OE2 GLU A 127 8.944 -1.380 -10.381 1.00 0.00 O1- ATOM 0 H GLU A 127 6.288 -4.420 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 127 9.130 -3.854 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.938 -2.582 -8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 127 7.050 -1.787 -6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 127 8.239 -0.396 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 127 9.468 -1.228 -7.272 1.00 0.00 H new ATOM 818 N ALA A 128 7.618 -3.759 -4.492 1.00 0.00 N ATOM 819 CA ALA A 128 7.820 -3.581 -3.059 1.00 0.00 C ATOM 820 C ALA A 128 9.086 -4.290 -2.582 1.00 0.00 C ATOM 821 O ALA A 128 9.928 -3.689 -1.916 1.00 0.00 O ATOM 822 CB ALA A 128 6.610 -4.092 -2.291 1.00 0.00 C ATOM 0 H ALA A 128 6.736 -4.205 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 128 7.941 -2.515 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.773 -3.954 -1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.723 -3.537 -2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.466 -5.152 -2.502 1.00 0.00 H new ATOM 828 N ASP A 129 9.216 -5.573 -2.930 1.00 0.00 N ATOM 829 CA ASP A 129 10.384 -6.372 -2.541 1.00 0.00 C ATOM 830 C ASP A 129 10.149 -7.853 -2.831 1.00 0.00 C ATOM 831 O ASP A 129 10.928 -8.487 -3.542 1.00 0.00 O ATOM 832 CB ASP A 129 10.717 -6.182 -1.050 1.00 0.00 C ATOM 833 CG ASP A 129 11.903 -5.262 -0.837 1.00 0.00 C ATOM 834 OD1 ASP A 129 13.021 -5.630 -1.256 1.00 0.00 O1- ATOM 835 OD2 ASP A 129 11.715 -4.176 -0.250 1.00 0.00 O ATOM 0 H ASP A 129 8.526 -6.083 -3.482 1.00 0.00 H new ATOM 0 HA ASP A 129 11.230 -6.024 -3.133 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.847 -5.774 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.928 -7.152 -0.601 1.00 0.00 H new ATOM 915 N ILE A 136 7.476 -8.740 2.777 1.00 0.00 N ATOM 916 CA ILE A 136 7.626 -7.488 2.043 1.00 0.00 C ATOM 917 C ILE A 136 7.595 -6.287 2.982 1.00 0.00 C ATOM 918 O ILE A 136 6.549 -5.945 3.533 1.00 0.00 O ATOM 919 CB ILE A 136 6.518 -7.319 0.984 1.00 0.00 C ATOM 920 CG1 ILE A 136 6.348 -8.607 0.176 1.00 0.00 C ATOM 921 CG2 ILE A 136 6.836 -6.148 0.066 1.00 0.00 C ATOM 922 CD1 ILE A 136 5.090 -8.631 -0.663 1.00 0.00 C ATOM 0 HA ILE A 136 8.595 -7.533 1.546 1.00 0.00 H new ATOM 0 HB ILE A 136 5.579 -7.110 1.496 1.00 0.00 H new ATOM 0 HG12 ILE A 136 7.212 -8.734 -0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 136 6.336 -9.456 0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.045 -6.042 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 136 6.907 -5.233 0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 136 7.785 -6.329 -0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 136 5.035 -9.573 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 136 4.219 -8.535 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 136 5.109 -7.802 -1.371 1.00 0.00 H new ATOM 934 N ASN A 137 8.745 -5.645 3.156 1.00 0.00 N ATOM 935 CA ASN A 137 8.841 -4.477 4.023 1.00 0.00 C ATOM 936 C ASN A 137 8.090 -3.297 3.416 1.00 0.00 C ATOM 937 O ASN A 137 8.320 -2.933 2.263 1.00 0.00 O ATOM 938 CB ASN A 137 10.307 -4.097 4.248 1.00 0.00 C ATOM 939 CG ASN A 137 11.171 -5.293 4.596 1.00 0.00 C ATOM 940 OD1 ASN A 137 11.133 -6.320 3.918 1.00 0.00 O ATOM 941 ND2 ASN A 137 11.959 -5.165 5.657 1.00 0.00 N ATOM 0 H ASN A 137 9.622 -5.913 2.709 1.00 0.00 H new ATOM 0 HA ASN A 137 8.388 -4.728 4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 137 10.697 -3.620 3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 137 10.369 -3.362 5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 137 12.565 -5.936 5.938 1.00 0.00 H new ATOM 0 HD22 ASN A 137 11.959 -4.296 6.191 1.00 0.00 H new ATOM 948 N TYR A 138 7.189 -2.701 4.193 1.00 0.00 N ATOM 949 CA TYR A 138 6.412 -1.563 3.711 1.00 0.00 C ATOM 950 C TYR A 138 7.182 -0.244 3.831 1.00 0.00 C ATOM 951 O TYR A 138 6.634 0.818 3.539 1.00 0.00 O ATOM 952 CB TYR A 138 5.078 -1.459 4.456 1.00 0.00 C ATOM 953 CG TYR A 138 5.193 -1.619 5.953 1.00 0.00 C ATOM 954 CD1 TYR A 138 5.981 -0.757 6.704 1.00 0.00 C ATOM 955 CD2 TYR A 138 4.512 -2.631 6.614 1.00 0.00 C ATOM 956 CE1 TYR A 138 6.086 -0.901 8.072 1.00 0.00 C ATOM 957 CE2 TYR A 138 4.610 -2.781 7.982 1.00 0.00 C ATOM 958 CZ TYR A 138 5.400 -1.913 8.708 1.00 0.00 C ATOM 959 OH TYR A 138 5.501 -2.058 10.072 1.00 0.00 O ATOM 0 H TYR A 138 6.980 -2.984 5.150 1.00 0.00 H new ATOM 0 HA TYR A 138 6.218 -1.740 2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.627 -0.491 4.239 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.399 -2.220 4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.520 0.038 6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.895 -3.313 6.048 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.704 -0.223 8.642 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.072 -3.573 8.482 1.00 0.00 H new ATOM 0 HH TYR A 138 4.717 -2.541 10.409 1.00 0.00 H new ATOM 969 N GLU A 139 8.451 -0.306 4.245 1.00 0.00 N ATOM 970 CA GLU A 139 9.268 0.894 4.381 1.00 0.00 C ATOM 971 C GLU A 139 9.983 1.195 3.067 1.00 0.00 C ATOM 972 O GLU A 139 10.091 2.349 2.653 1.00 0.00 O ATOM 973 CB GLU A 139 10.285 0.721 5.514 1.00 0.00 C ATOM 974 CG GLU A 139 10.362 1.916 6.448 1.00 0.00 C ATOM 975 CD GLU A 139 11.577 1.870 7.356 1.00 0.00 C ATOM 976 OE1 GLU A 139 12.705 2.041 6.848 1.00 0.00 O ATOM 977 OE2 GLU A 139 11.399 1.664 8.575 1.00 0.00 O1- ATOM 0 H GLU A 139 8.930 -1.173 4.490 1.00 0.00 H new ATOM 0 HA GLU A 139 8.618 1.734 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 139 10.025 -0.166 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 139 11.270 0.543 5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 139 10.388 2.832 5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 139 9.459 1.955 7.057 1.00 0.00 H new ATOM 984 N GLU A 140 10.451 0.142 2.408 1.00 0.00 N ATOM 985 CA GLU A 140 11.131 0.281 1.130 1.00 0.00 C ATOM 986 C GLU A 140 10.105 0.531 0.036 1.00 0.00 C ATOM 987 O GLU A 140 10.305 1.369 -0.844 1.00 0.00 O ATOM 988 CB GLU A 140 11.947 -0.975 0.815 1.00 0.00 C ATOM 989 CG GLU A 140 13.391 -0.897 1.285 1.00 0.00 C ATOM 990 CD GLU A 140 13.644 -1.713 2.538 1.00 0.00 C ATOM 991 OE1 GLU A 140 13.049 -2.805 2.665 1.00 0.00 O1- ATOM 992 OE2 GLU A 140 14.436 -1.262 3.391 1.00 0.00 O ATOM 0 H GLU A 140 10.371 -0.819 2.740 1.00 0.00 H new ATOM 0 HA GLU A 140 11.816 1.127 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.468 -1.836 1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 140 11.933 -1.147 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 140 14.047 -1.249 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.651 0.144 1.476 1.00 0.00 H new ATOM 999 N PHE A 141 8.994 -0.196 0.115 1.00 0.00 N ATOM 1000 CA PHE A 141 7.912 -0.054 -0.848 1.00 0.00 C ATOM 1001 C PHE A 141 7.321 1.352 -0.764 1.00 0.00 C ATOM 1002 O PHE A 141 7.107 2.007 -1.784 1.00 0.00 O ATOM 1003 CB PHE A 141 6.833 -1.119 -0.587 1.00 0.00 C ATOM 1004 CG PHE A 141 5.547 -0.901 -1.342 1.00 0.00 C ATOM 1005 CD1 PHE A 141 5.502 -1.024 -2.721 1.00 0.00 C ATOM 1006 CD2 PHE A 141 4.388 -0.565 -0.664 1.00 0.00 C ATOM 1007 CE1 PHE A 141 4.321 -0.813 -3.410 1.00 0.00 C ATOM 1008 CE2 PHE A 141 3.206 -0.356 -1.346 1.00 0.00 C ATOM 1009 CZ PHE A 141 3.172 -0.480 -2.720 1.00 0.00 C ATOM 0 H PHE A 141 8.821 -0.892 0.840 1.00 0.00 H new ATOM 0 HA PHE A 141 8.304 -0.202 -1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.234 -2.097 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.614 -1.143 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.398 -1.287 -3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.409 -0.465 0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.298 -0.909 -4.486 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.309 -0.096 -0.805 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.248 -0.317 -3.255 1.00 0.00 H new ATOM 1019 N VAL A 142 7.061 1.812 0.457 1.00 0.00 N ATOM 1020 CA VAL A 142 6.501 3.138 0.658 1.00 0.00 C ATOM 1021 C VAL A 142 7.499 4.215 0.235 1.00 0.00 C ATOM 1022 O VAL A 142 7.117 5.271 -0.275 1.00 0.00 O ATOM 1023 CB VAL A 142 6.076 3.365 2.129 1.00 0.00 C ATOM 1024 CG1 VAL A 142 7.282 3.432 3.059 1.00 0.00 C ATOM 1025 CG2 VAL A 142 5.232 4.624 2.251 1.00 0.00 C ATOM 0 H VAL A 142 7.229 1.287 1.315 1.00 0.00 H new ATOM 0 HA VAL A 142 5.610 3.209 0.034 1.00 0.00 H new ATOM 0 HB VAL A 142 5.474 2.510 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 142 6.944 3.592 4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 142 7.837 2.496 3.003 1.00 0.00 H new ATOM 0 HG13 VAL A 142 7.929 4.256 2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 142 4.942 4.768 3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.810 5.484 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 142 4.338 4.524 1.636 1.00 0.00 H new ATOM 1035 N ARG A 143 8.780 3.937 0.460 1.00 0.00 N ATOM 1036 CA ARG A 143 9.839 4.880 0.116 1.00 0.00 C ATOM 1037 C ARG A 143 10.018 5.009 -1.397 1.00 0.00 C ATOM 1038 O ARG A 143 10.216 6.109 -1.909 1.00 0.00 O ATOM 1039 CB ARG A 143 11.158 4.450 0.760 1.00 0.00 C ATOM 1040 CG ARG A 143 12.284 5.453 0.569 1.00 0.00 C ATOM 1041 CD ARG A 143 13.197 5.067 -0.586 1.00 0.00 C ATOM 1042 NE ARG A 143 14.070 3.941 -0.244 1.00 0.00 N ATOM 1043 CZ ARG A 143 13.829 2.665 -0.561 1.00 0.00 C ATOM 1044 NH1 ARG A 143 12.731 2.314 -1.224 1.00 0.00 N1+ ATOM 1045 NH2 ARG A 143 14.697 1.729 -0.204 1.00 0.00 N ATOM 0 H ARG A 143 9.109 3.067 0.879 1.00 0.00 H new ATOM 0 HA ARG A 143 9.545 5.856 0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 143 10.998 4.295 1.827 1.00 0.00 H new ATOM 0 HB3 ARG A 143 11.462 3.491 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 143 11.863 6.441 0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 143 12.868 5.522 1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 143 12.592 4.806 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 143 13.807 5.925 -0.869 1.00 0.00 H new ATOM 0 HE ARG A 143 14.924 4.146 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 143 12.053 3.024 -1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 143 12.567 1.334 -1.456 1.00 0.00 H new ATOM 0 HH21 ARG A 143 15.541 1.985 0.309 1.00 0.00 H new ATOM 0 HH22 ARG A 143 14.521 0.753 -0.442 1.00 0.00 H new ATOM 1059 N MET A 144 9.970 3.886 -2.105 1.00 0.00 N ATOM 1060 CA MET A 144 10.150 3.894 -3.556 1.00 0.00 C ATOM 1061 C MET A 144 8.949 4.505 -4.280 1.00 0.00 C ATOM 1062 O MET A 144 9.110 5.139 -5.324 1.00 0.00 O ATOM 1063 CB MET A 144 10.413 2.479 -4.074 1.00 0.00 C ATOM 1064 CG MET A 144 9.287 1.502 -3.788 1.00 0.00 C ATOM 1065 SD MET A 144 9.007 0.345 -5.142 1.00 0.00 S ATOM 1066 CE MET A 144 7.514 1.026 -5.855 1.00 0.00 C ATOM 0 H MET A 144 9.809 2.963 -1.703 1.00 0.00 H new ATOM 0 HA MET A 144 11.017 4.519 -3.768 1.00 0.00 H new ATOM 0 HB2 MET A 144 10.580 2.521 -5.150 1.00 0.00 H new ATOM 0 HB3 MET A 144 11.331 2.102 -3.624 1.00 0.00 H new ATOM 0 HG2 MET A 144 9.518 0.944 -2.881 1.00 0.00 H new ATOM 0 HG3 MET A 144 8.369 2.058 -3.595 1.00 0.00 H new ATOM 0 HE1 MET A 144 6.719 0.281 -5.816 1.00 0.00 H new ATOM 0 HE2 MET A 144 7.212 1.909 -5.292 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.700 1.304 -6.893 1.00 0.00 H new ATOM 1076 N MET A 145 7.750 4.311 -3.739 1.00 0.00 N ATOM 1077 CA MET A 145 6.545 4.850 -4.366 1.00 0.00 C ATOM 1078 C MET A 145 6.504 6.372 -4.261 1.00 0.00 C ATOM 1079 O MET A 145 6.028 7.054 -5.170 1.00 0.00 O ATOM 1080 CB MET A 145 5.281 4.235 -3.746 1.00 0.00 C ATOM 1081 CG MET A 145 4.995 4.690 -2.322 1.00 0.00 C ATOM 1082 SD MET A 145 3.287 4.389 -1.826 1.00 0.00 S ATOM 1083 CE MET A 145 3.336 2.642 -1.435 1.00 0.00 C ATOM 0 H MET A 145 7.586 3.791 -2.877 1.00 0.00 H new ATOM 0 HA MET A 145 6.574 4.583 -5.422 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.425 4.484 -4.373 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.378 3.149 -3.755 1.00 0.00 H new ATOM 0 HG2 MET A 145 5.665 4.170 -1.637 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.213 5.754 -2.234 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.365 2.194 -1.648 1.00 0.00 H new ATOM 0 HE2 MET A 145 4.101 2.155 -2.040 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.571 2.512 -0.379 1.00 0.00 H new ATOM 1093 N VAL A 146 7.002 6.901 -3.148 1.00 0.00 N ATOM 1094 CA VAL A 146 7.016 8.342 -2.930 1.00 0.00 C ATOM 1095 C VAL A 146 8.338 8.957 -3.383 1.00 0.00 C ATOM 1096 O VAL A 146 8.359 9.997 -4.040 1.00 0.00 O ATOM 1097 CB VAL A 146 6.762 8.695 -1.449 1.00 0.00 C ATOM 1098 CG1 VAL A 146 5.418 8.145 -0.997 1.00 0.00 C ATOM 1099 CG2 VAL A 146 7.883 8.171 -0.558 1.00 0.00 C ATOM 0 H VAL A 146 7.400 6.354 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 146 6.207 8.760 -3.530 1.00 0.00 H new ATOM 0 HB VAL A 146 6.743 9.781 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 146 5.253 8.402 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 146 4.624 8.577 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 146 5.412 7.061 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 146 7.677 8.435 0.479 1.00 0.00 H new ATOM 0 HG22 VAL A 146 7.945 7.087 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 146 8.830 8.616 -0.864 1.00 0.00 H new ATOM 1231 N GLU B1905 -9.900 -3.467 9.702 1.00 0.00 N ATOM 1232 CA GLU B1905 -8.851 -3.964 8.821 1.00 0.00 C ATOM 1233 C GLU B1905 -9.063 -3.464 7.396 1.00 0.00 C ATOM 1234 O GLU B1905 -8.133 -2.975 6.754 1.00 0.00 O ATOM 1235 CB GLU B1905 -8.823 -5.493 8.838 1.00 0.00 C ATOM 1236 CG GLU B1905 -8.323 -6.077 10.149 1.00 0.00 C ATOM 1237 CD GLU B1905 -9.068 -7.335 10.548 1.00 0.00 C ATOM 1238 OE1 GLU B1905 -9.391 -8.144 9.651 1.00 0.00 O ATOM 1239 OE2 GLU B1905 -9.329 -7.513 11.756 1.00 0.00 O1- ATOM 0 HA GLU B1905 -7.895 -3.588 9.184 1.00 0.00 H new ATOM 0 HB2 GLU B1905 -9.827 -5.869 8.642 1.00 0.00 H new ATOM 0 HB3 GLU B1905 -8.187 -5.846 8.026 1.00 0.00 H new ATOM 0 HG2 GLU B1905 -7.260 -6.301 10.061 1.00 0.00 H new ATOM 0 HG3 GLU B1905 -8.427 -5.332 10.938 1.00 0.00 H new ATOM 1246 N GLU B1906 -10.292 -3.591 6.907 1.00 0.00 N ATOM 1247 CA GLU B1906 -10.623 -3.153 5.556 1.00 0.00 C ATOM 1248 C GLU B1906 -10.372 -1.659 5.390 1.00 0.00 C ATOM 1249 O GLU B1906 -9.646 -1.245 4.486 1.00 0.00 O ATOM 1250 CB GLU B1906 -12.081 -3.480 5.228 1.00 0.00 C ATOM 1251 CG GLU B1906 -12.436 -4.945 5.426 1.00 0.00 C ATOM 1252 CD GLU B1906 -13.462 -5.436 4.424 1.00 0.00 C ATOM 1253 OE1 GLU B1906 -13.319 -5.121 3.224 1.00 0.00 O1- ATOM 1254 OE2 GLU B1906 -14.410 -6.136 4.839 1.00 0.00 O ATOM 0 H GLU B1906 -11.074 -3.993 7.425 1.00 0.00 H new ATOM 0 HA GLU B1906 -9.977 -3.690 4.862 1.00 0.00 H new ATOM 0 HB2 GLU B1906 -12.731 -2.869 5.854 1.00 0.00 H new ATOM 0 HB3 GLU B1906 -12.283 -3.203 4.193 1.00 0.00 H new ATOM 0 HG2 GLU B1906 -11.532 -5.549 5.341 1.00 0.00 H new ATOM 0 HG3 GLU B1906 -12.822 -5.089 6.435 1.00 0.00 H new ATOM 1261 N VAL B1907 -10.974 -0.847 6.266 1.00 0.00 N ATOM 1262 CA VAL B1907 -10.812 0.609 6.210 1.00 0.00 C ATOM 1263 C VAL B1907 -9.337 1.000 6.092 1.00 0.00 C ATOM 1264 O VAL B1907 -8.979 1.896 5.321 1.00 0.00 O ATOM 1265 CB VAL B1907 -11.441 1.299 7.441 1.00 0.00 C ATOM 1266 CG1 VAL B1907 -10.785 0.825 8.727 1.00 0.00 C ATOM 1267 CG2 VAL B1907 -11.355 2.815 7.317 1.00 0.00 C ATOM 0 H VAL B1907 -11.577 -1.173 7.021 1.00 0.00 H new ATOM 0 HA VAL B1907 -11.337 0.952 5.318 1.00 0.00 H new ATOM 0 HB VAL B1907 -12.494 1.021 7.478 1.00 0.00 H new ATOM 0 HG11 VAL B1907 -11.247 1.327 9.577 1.00 0.00 H new ATOM 0 HG12 VAL B1907 -10.916 -0.253 8.826 1.00 0.00 H new ATOM 0 HG13 VAL B1907 -9.721 1.060 8.701 1.00 0.00 H new ATOM 0 HG21 VAL B1907 -11.804 3.278 8.196 1.00 0.00 H new ATOM 0 HG22 VAL B1907 -10.310 3.115 7.243 1.00 0.00 H new ATOM 0 HG23 VAL B1907 -11.889 3.138 6.423 1.00 0.00 H new ATOM 1277 N SER B1908 -8.479 0.307 6.840 1.00 0.00 N ATOM 1278 CA SER B1908 -7.046 0.571 6.791 1.00 0.00 C ATOM 1279 C SER B1908 -6.527 0.311 5.382 1.00 0.00 C ATOM 1280 O SER B1908 -5.652 1.018 4.882 1.00 0.00 O ATOM 1281 CB SER B1908 -6.303 -0.309 7.799 1.00 0.00 C ATOM 1282 OG SER B1908 -6.170 0.346 9.048 1.00 0.00 O ATOM 0 H SER B1908 -8.751 -0.437 7.483 1.00 0.00 H new ATOM 0 HA SER B1908 -6.869 1.614 7.053 1.00 0.00 H new ATOM 0 HB2 SER B1908 -6.841 -1.248 7.933 1.00 0.00 H new ATOM 0 HB3 SER B1908 -5.316 -0.560 7.410 1.00 0.00 H new ATOM 0 HG SER B1908 -6.854 0.014 9.666 1.00 0.00 H new ATOM 1288 N ALA B1909 -7.097 -0.703 4.741 1.00 0.00 N ATOM 1289 CA ALA B1909 -6.722 -1.056 3.383 1.00 0.00 C ATOM 1290 C ALA B1909 -7.269 -0.032 2.391 1.00 0.00 C ATOM 1291 O ALA B1909 -6.706 0.164 1.315 1.00 0.00 O ATOM 1292 CB ALA B1909 -7.217 -2.453 3.049 1.00 0.00 C ATOM 0 H ALA B1909 -7.823 -1.295 5.145 1.00 0.00 H new ATOM 0 HA ALA B1909 -5.635 -1.049 3.307 1.00 0.00 H new ATOM 0 HB1 ALA B1909 -6.930 -2.706 2.028 1.00 0.00 H new ATOM 0 HB2 ALA B1909 -6.774 -3.171 3.739 1.00 0.00 H new ATOM 0 HB3 ALA B1909 -8.303 -2.486 3.139 1.00 0.00 H new ATOM 1298 N ILE B1910 -8.365 0.634 2.762 1.00 0.00 N ATOM 1299 CA ILE B1910 -8.965 1.647 1.903 1.00 0.00 C ATOM 1300 C ILE B1910 -7.976 2.780 1.650 1.00 0.00 C ATOM 1301 O ILE B1910 -7.726 3.152 0.503 1.00 0.00 O ATOM 1302 CB ILE B1910 -10.262 2.225 2.513 1.00 0.00 C ATOM 1303 CG1 ILE B1910 -11.243 1.099 2.841 1.00 0.00 C ATOM 1304 CG2 ILE B1910 -10.908 3.227 1.566 1.00 0.00 C ATOM 1305 CD1 ILE B1910 -11.719 0.338 1.624 1.00 0.00 C ATOM 0 H ILE B1910 -8.850 0.488 3.647 1.00 0.00 H new ATOM 0 HA ILE B1910 -9.219 1.161 0.961 1.00 0.00 H new ATOM 0 HB ILE B1910 -10.002 2.745 3.435 1.00 0.00 H new ATOM 0 HG12 ILE B1910 -10.767 0.403 3.531 1.00 0.00 H new ATOM 0 HG13 ILE B1910 -12.106 1.519 3.357 1.00 0.00 H new ATOM 0 HG21 ILE B1910 -11.819 3.620 2.018 1.00 0.00 H new ATOM 0 HG22 ILE B1910 -10.215 4.047 1.376 1.00 0.00 H new ATOM 0 HG23 ILE B1910 -11.153 2.733 0.626 1.00 0.00 H new ATOM 0 HD11 ILE B1910 -12.412 -0.445 1.932 1.00 0.00 H new ATOM 0 HD12 ILE B1910 -12.225 1.022 0.942 1.00 0.00 H new ATOM 0 HD13 ILE B1910 -10.864 -0.112 1.119 1.00 0.00 H new ATOM 1317 N VAL B1911 -7.409 3.322 2.725 1.00 0.00 N ATOM 1318 CA VAL B1911 -6.441 4.404 2.596 1.00 0.00 C ATOM 1319 C VAL B1911 -5.197 3.917 1.862 1.00 0.00 C ATOM 1320 O VAL B1911 -4.604 4.649 1.070 1.00 0.00 O ATOM 1321 CB VAL B1911 -6.034 4.993 3.966 1.00 0.00 C ATOM 1322 CG1 VAL B1911 -5.369 3.940 4.840 1.00 0.00 C ATOM 1323 CG2 VAL B1911 -5.118 6.196 3.779 1.00 0.00 C ATOM 0 H VAL B1911 -7.601 3.033 3.684 1.00 0.00 H new ATOM 0 HA VAL B1911 -6.924 5.195 2.023 1.00 0.00 H new ATOM 0 HB VAL B1911 -6.940 5.324 4.474 1.00 0.00 H new ATOM 0 HG11 VAL B1911 -5.093 4.383 5.797 1.00 0.00 H new ATOM 0 HG12 VAL B1911 -6.062 3.116 5.008 1.00 0.00 H new ATOM 0 HG13 VAL B1911 -4.474 3.566 4.342 1.00 0.00 H new ATOM 0 HG21 VAL B1911 -4.842 6.598 4.754 1.00 0.00 H new ATOM 0 HG22 VAL B1911 -4.219 5.889 3.245 1.00 0.00 H new ATOM 0 HG23 VAL B1911 -5.637 6.963 3.204 1.00 0.00 H new ATOM 1333 N ILE B1912 -4.811 2.671 2.123 1.00 0.00 N ATOM 1334 CA ILE B1912 -3.644 2.092 1.478 1.00 0.00 C ATOM 1335 C ILE B1912 -3.872 2.008 -0.036 1.00 0.00 C ATOM 1336 O ILE B1912 -2.943 2.177 -0.828 1.00 0.00 O ATOM 1337 CB ILE B1912 -3.284 0.707 2.114 1.00 0.00 C ATOM 1338 CG1 ILE B1912 -1.787 0.636 2.400 1.00 0.00 C ATOM 1339 CG2 ILE B1912 -3.708 -0.492 1.268 1.00 0.00 C ATOM 1340 CD1 ILE B1912 -1.389 -0.545 3.259 1.00 0.00 C ATOM 0 H ILE B1912 -5.289 2.048 2.774 1.00 0.00 H new ATOM 0 HA ILE B1912 -2.782 2.738 1.642 1.00 0.00 H new ATOM 0 HB ILE B1912 -3.853 0.643 3.042 1.00 0.00 H new ATOM 0 HG12 ILE B1912 -1.247 0.585 1.454 1.00 0.00 H new ATOM 0 HG13 ILE B1912 -1.476 1.556 2.895 1.00 0.00 H new ATOM 0 HG21 ILE B1912 -3.424 -1.414 1.775 1.00 0.00 H new ATOM 0 HG22 ILE B1912 -4.789 -0.474 1.127 1.00 0.00 H new ATOM 0 HG23 ILE B1912 -3.214 -0.445 0.297 1.00 0.00 H new ATOM 0 HD11 ILE B1912 -0.311 -0.530 3.421 1.00 0.00 H new ATOM 0 HD12 ILE B1912 -1.901 -0.485 4.219 1.00 0.00 H new ATOM 0 HD13 ILE B1912 -1.668 -1.471 2.756 1.00 0.00 H new ATOM 1352 N GLN B1913 -5.124 1.773 -0.425 1.00 0.00 N ATOM 1353 CA GLN B1913 -5.482 1.696 -1.835 1.00 0.00 C ATOM 1354 C GLN B1913 -5.243 3.048 -2.496 1.00 0.00 C ATOM 1355 O GLN B1913 -4.735 3.130 -3.615 1.00 0.00 O ATOM 1356 CB GLN B1913 -6.946 1.266 -1.995 1.00 0.00 C ATOM 1357 CG GLN B1913 -7.122 0.021 -2.850 1.00 0.00 C ATOM 1358 CD GLN B1913 -8.497 -0.605 -2.702 1.00 0.00 C ATOM 1359 OE1 GLN B1913 -9.518 0.068 -2.847 1.00 0.00 O ATOM 1360 NE2 GLN B1913 -8.529 -1.902 -2.413 1.00 0.00 N ATOM 0 H GLN B1913 -5.904 1.633 0.217 1.00 0.00 H new ATOM 0 HA GLN B1913 -4.857 0.948 -2.322 1.00 0.00 H new ATOM 0 HB2 GLN B1913 -7.373 1.083 -1.009 1.00 0.00 H new ATOM 0 HB3 GLN B1913 -7.511 2.085 -2.440 1.00 0.00 H new ATOM 0 HG2 GLN B1913 -6.955 0.278 -3.896 1.00 0.00 H new ATOM 0 HG3 GLN B1913 -6.363 -0.712 -2.577 1.00 0.00 H new ATOM 0 HE21 GLN B1913 -7.658 -2.421 -2.302 1.00 0.00 H new ATOM 0 HE22 GLN B1913 -9.424 -2.378 -2.303 1.00 0.00 H new ATOM 1369 N ARG B1914 -5.594 4.113 -1.778 1.00 0.00 N ATOM 1370 CA ARG B1914 -5.401 5.467 -2.275 1.00 0.00 C ATOM 1371 C ARG B1914 -3.918 5.725 -2.511 1.00 0.00 C ATOM 1372 O ARG B1914 -3.537 6.440 -3.439 1.00 0.00 O ATOM 1373 CB ARG B1914 -5.967 6.486 -1.281 1.00 0.00 C ATOM 1374 CG ARG B1914 -6.729 7.625 -1.941 1.00 0.00 C ATOM 1375 CD ARG B1914 -7.873 8.122 -1.068 1.00 0.00 C ATOM 1376 NE ARG B1914 -9.171 7.949 -1.717 1.00 0.00 N ATOM 1377 CZ ARG B1914 -10.342 8.107 -1.098 1.00 0.00 C ATOM 1378 NH1 ARG B1914 -10.391 8.445 0.185 1.00 0.00 N1+ ATOM 1379 NH2 ARG B1914 -11.471 7.926 -1.770 1.00 0.00 N ATOM 0 H ARG B1914 -6.014 4.061 -0.850 1.00 0.00 H new ATOM 0 HA ARG B1914 -5.934 5.575 -3.220 1.00 0.00 H new ATOM 0 HB2 ARG B1914 -6.630 5.972 -0.585 1.00 0.00 H new ATOM 0 HB3 ARG B1914 -5.148 6.901 -0.693 1.00 0.00 H new ATOM 0 HG2 ARG B1914 -6.045 8.448 -2.147 1.00 0.00 H new ATOM 0 HG3 ARG B1914 -7.123 7.290 -2.901 1.00 0.00 H new ATOM 0 HD2 ARG B1914 -7.867 7.583 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG B1914 -7.721 9.176 -0.836 1.00 0.00 H new ATOM 0 HE ARG B1914 -9.182 7.692 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG B1914 -9.527 8.587 0.708 1.00 0.00 H new ATOM 0 HH12 ARG B1914 -11.293 8.563 0.647 1.00 0.00 H new ATOM 0 HH21 ARG B1914 -11.442 7.667 -2.756 1.00 0.00 H new ATOM 0 HH22 ARG B1914 -12.369 8.046 -1.301 1.00 0.00 H new ATOM 1393 N ALA B1915 -3.083 5.118 -1.670 1.00 0.00 N ATOM 1394 CA ALA B1915 -1.639 5.257 -1.790 1.00 0.00 C ATOM 1395 C ALA B1915 -1.169 4.705 -3.129 1.00 0.00 C ATOM 1396 O ALA B1915 -0.297 5.281 -3.780 1.00 0.00 O ATOM 1397 CB ALA B1915 -0.939 4.544 -0.645 1.00 0.00 C ATOM 0 H ALA B1915 -3.386 4.525 -0.898 1.00 0.00 H new ATOM 0 HA ALA B1915 -1.385 6.316 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA B1915 0.140 4.658 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA B1915 -1.259 4.977 0.303 1.00 0.00 H new ATOM 0 HB3 ALA B1915 -1.195 3.485 -0.665 1.00 0.00 H new ATOM 1403 N TYR B1916 -1.769 3.590 -3.541 1.00 0.00 N ATOM 1404 CA TYR B1916 -1.426 2.967 -4.813 1.00 0.00 C ATOM 1405 C TYR B1916 -1.732 3.921 -5.959 1.00 0.00 C ATOM 1406 O TYR B1916 -1.000 3.980 -6.948 1.00 0.00 O ATOM 1407 CB TYR B1916 -2.200 1.659 -5.001 1.00 0.00 C ATOM 1408 CG TYR B1916 -1.911 0.620 -3.940 1.00 0.00 C ATOM 1409 CD1 TYR B1916 -0.623 0.431 -3.452 1.00 0.00 C ATOM 1410 CD2 TYR B1916 -2.930 -0.172 -3.424 1.00 0.00 C ATOM 1411 CE1 TYR B1916 -0.359 -0.518 -2.484 1.00 0.00 C ATOM 1412 CE2 TYR B1916 -2.673 -1.122 -2.455 1.00 0.00 C ATOM 1413 CZ TYR B1916 -1.387 -1.291 -1.988 1.00 0.00 C ATOM 1414 OH TYR B1916 -1.129 -2.236 -1.022 1.00 0.00 O ATOM 0 H TYR B1916 -2.493 3.102 -3.013 1.00 0.00 H new ATOM 0 HA TYR B1916 -0.360 2.740 -4.810 1.00 0.00 H new ATOM 0 HB2 TYR B1916 -3.268 1.877 -5.002 1.00 0.00 H new ATOM 0 HB3 TYR B1916 -1.959 1.243 -5.979 1.00 0.00 H new ATOM 0 HD1 TYR B1916 0.185 1.036 -3.836 1.00 0.00 H new ATOM 0 HD2 TYR B1916 -3.939 -0.042 -3.787 1.00 0.00 H new ATOM 0 HE1 TYR B1916 0.648 -0.654 -2.117 1.00 0.00 H new ATOM 0 HE2 TYR B1916 -3.476 -1.730 -2.065 1.00 0.00 H new ATOM 0 HH TYR B1916 -0.286 -2.021 -0.571 1.00 0.00 H new ATOM 1424 N ARG B1917 -2.817 4.679 -5.811 1.00 0.00 N ATOM 1425 CA ARG B1917 -3.217 5.648 -6.824 1.00 0.00 C ATOM 1426 C ARG B1917 -2.112 6.675 -7.041 1.00 0.00 C ATOM 1427 O ARG B1917 -1.785 7.024 -8.176 1.00 0.00 O ATOM 1428 CB ARG B1917 -4.511 6.351 -6.408 1.00 0.00 C ATOM 1429 CG ARG B1917 -5.445 6.648 -7.571 1.00 0.00 C ATOM 1430 CD ARG B1917 -6.676 7.418 -7.120 1.00 0.00 C ATOM 1431 NE ARG B1917 -6.587 8.838 -7.455 1.00 0.00 N ATOM 1432 CZ ARG B1917 -7.366 9.781 -6.925 1.00 0.00 C ATOM 1433 NH1 ARG B1917 -8.295 9.467 -6.028 1.00 0.00 N1+ ATOM 1434 NH2 ARG B1917 -7.215 11.045 -7.293 1.00 0.00 N ATOM 0 H ARG B1917 -3.433 4.639 -4.999 1.00 0.00 H new ATOM 0 HA ARG B1917 -3.392 5.116 -7.759 1.00 0.00 H new ATOM 0 HB2 ARG B1917 -5.035 5.729 -5.682 1.00 0.00 H new ATOM 0 HB3 ARG B1917 -4.261 7.286 -5.906 1.00 0.00 H new ATOM 0 HG2 ARG B1917 -4.912 7.224 -8.328 1.00 0.00 H new ATOM 0 HG3 ARG B1917 -5.752 5.713 -8.039 1.00 0.00 H new ATOM 0 HD2 ARG B1917 -7.563 6.990 -7.588 1.00 0.00 H new ATOM 0 HD3 ARG B1917 -6.799 7.307 -6.043 1.00 0.00 H new ATOM 0 HE ARG B1917 -5.885 9.125 -8.137 1.00 0.00 H new ATOM 0 HH11 ARG B1917 -8.417 8.497 -5.739 1.00 0.00 H new ATOM 0 HH12 ARG B1917 -8.886 10.196 -5.629 1.00 0.00 H new ATOM 0 HH21 ARG B1917 -6.504 11.295 -7.980 1.00 0.00 H new ATOM 0 HH22 ARG B1917 -7.810 11.768 -6.889 1.00 0.00 H new ATOM 1448 N ARG B1918 -1.528 7.143 -5.942 1.00 0.00 N ATOM 1449 CA ARG B1918 -0.445 8.115 -6.004 1.00 0.00 C ATOM 1450 C ARG B1918 0.845 7.443 -6.468 1.00 0.00 C ATOM 1451 O ARG B1918 1.697 8.074 -7.092 1.00 0.00 O ATOM 1452 CB ARG B1918 -0.236 8.771 -4.638 1.00 0.00 C ATOM 1453 CG ARG B1918 -1.104 10.001 -4.412 1.00 0.00 C ATOM 1454 CD ARG B1918 -2.263 9.709 -3.472 1.00 0.00 C ATOM 1455 NE ARG B1918 -3.222 10.813 -3.424 1.00 0.00 N ATOM 1456 CZ ARG B1918 -4.098 11.000 -2.436 1.00 0.00 C ATOM 1457 NH1 ARG B1918 -4.149 10.160 -1.408 1.00 0.00 N1+ ATOM 1458 NH2 ARG B1918 -4.927 12.034 -2.477 1.00 0.00 N ATOM 0 H ARG B1918 -1.788 6.863 -4.996 1.00 0.00 H new ATOM 0 HA ARG B1918 -0.716 8.888 -6.723 1.00 0.00 H new ATOM 0 HB2 ARG B1918 -0.447 8.040 -3.857 1.00 0.00 H new ATOM 0 HB3 ARG B1918 0.812 9.053 -4.536 1.00 0.00 H new ATOM 0 HG2 ARG B1918 -0.495 10.805 -3.999 1.00 0.00 H new ATOM 0 HG3 ARG B1918 -1.491 10.353 -5.368 1.00 0.00 H new ATOM 0 HD2 ARG B1918 -2.772 8.801 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG B1918 -1.878 9.519 -2.470 1.00 0.00 H new ATOM 0 HE ARG B1918 -3.220 11.481 -4.194 1.00 0.00 H new ATOM 0 HH11 ARG B1918 -3.514 9.363 -1.369 1.00 0.00 H new ATOM 0 HH12 ARG B1918 -4.823 10.313 -0.658 1.00 0.00 H new ATOM 0 HH21 ARG B1918 -4.894 12.684 -3.263 1.00 0.00 H new ATOM 0 HH22 ARG B1918 -5.598 12.180 -1.723 1.00 0.00 H new ATOM 1472 N TYR B1919 0.978 6.154 -6.164 1.00 0.00 N ATOM 1473 CA TYR B1919 2.155 5.390 -6.557 1.00 0.00 C ATOM 1474 C TYR B1919 2.251 5.312 -8.082 1.00 0.00 C ATOM 1475 O TYR B1919 3.326 5.476 -8.657 1.00 0.00 O ATOM 1476 CB TYR B1919 2.091 3.981 -5.938 1.00 0.00 C ATOM 1477 CG TYR B1919 3.083 2.989 -6.513 1.00 0.00 C ATOM 1478 CD1 TYR B1919 4.401 3.355 -6.760 1.00 0.00 C ATOM 1479 CD2 TYR B1919 2.696 1.690 -6.814 1.00 0.00 C ATOM 1480 CE1 TYR B1919 5.303 2.452 -7.290 1.00 0.00 C ATOM 1481 CE2 TYR B1919 3.591 0.783 -7.345 1.00 0.00 C ATOM 1482 CZ TYR B1919 4.892 1.168 -7.581 1.00 0.00 C ATOM 1483 OH TYR B1919 5.787 0.266 -8.111 1.00 0.00 O ATOM 0 H TYR B1919 0.282 5.618 -5.646 1.00 0.00 H new ATOM 0 HA TYR B1919 3.049 5.892 -6.187 1.00 0.00 H new ATOM 0 HB2 TYR B1919 2.261 4.063 -4.864 1.00 0.00 H new ATOM 0 HB3 TYR B1919 1.084 3.586 -6.072 1.00 0.00 H new ATOM 0 HD1 TYR B1919 4.725 4.360 -6.534 1.00 0.00 H new ATOM 0 HD2 TYR B1919 1.677 1.384 -6.629 1.00 0.00 H new ATOM 0 HE1 TYR B1919 6.324 2.750 -7.475 1.00 0.00 H new ATOM 0 HE2 TYR B1919 3.273 -0.223 -7.574 1.00 0.00 H new ATOM 0 HH TYR B1919 5.338 -0.593 -8.257 1.00 0.00 H new ATOM 1493 N LEU B1920 1.117 5.054 -8.725 1.00 0.00 N ATOM 1494 CA LEU B1920 1.069 4.948 -10.179 1.00 0.00 C ATOM 1495 C LEU B1920 1.042 6.331 -10.829 1.00 0.00 C ATOM 1496 O LEU B1920 1.833 6.620 -11.727 1.00 0.00 O ATOM 1497 CB LEU B1920 -0.154 4.126 -10.606 1.00 0.00 C ATOM 1498 CG LEU B1920 0.165 2.866 -11.415 1.00 0.00 C ATOM 1499 CD1 LEU B1920 0.662 1.756 -10.501 1.00 0.00 C ATOM 1500 CD2 LEU B1920 -1.060 2.408 -12.192 1.00 0.00 C ATOM 0 H LEU B1920 0.219 4.914 -8.262 1.00 0.00 H new ATOM 0 HA LEU B1920 1.971 4.438 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU B1920 -0.708 3.836 -9.713 1.00 0.00 H new ATOM 0 HB3 LEU B1920 -0.813 4.762 -11.197 1.00 0.00 H new ATOM 0 HG LEU B1920 0.955 3.105 -12.127 1.00 0.00 H new ATOM 0 HD11 LEU B1920 0.884 0.868 -11.094 1.00 0.00 H new ATOM 0 HD12 LEU B1920 1.566 2.085 -9.988 1.00 0.00 H new ATOM 0 HD13 LEU B1920 -0.107 1.519 -9.766 1.00 0.00 H new ATOM 0 HD21 LEU B1920 -0.815 1.511 -12.761 1.00 0.00 H new ATOM 0 HD22 LEU B1920 -1.870 2.187 -11.497 1.00 0.00 H new ATOM 0 HD23 LEU B1920 -1.374 3.197 -12.875 1.00 0.00 H new