USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 663 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 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.0733 X(o=-2,f=-2) USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= -1.98 USER MOD Set 3.1: A 20 THR OG1 : rot 35:sc= 1.08 USER MOD Set 3.2: A 23 THR OG1 : rot -18:sc= 0.0848 USER MOD Set 3.3: A 62 GLN : amide:sc= -0.9 K(o=0.27,f=1.1) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.102) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 29 THR OG1 : rot 171:sc= -0.491 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 42:sc= 0.291 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.0055) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -6.44! C(o=-6.4!,f=-5.3!) USER MOD Single : A 69 SER OG : rot -59:sc= 0.41 USER MOD Single : A 70 THR OG1 : rot 57:sc= -1.23 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 100:sc= 0.791 USER MOD Single : A 77 GLN : amide:sc= -2.96 K(o=-3,f=-6.9!) USER MOD Single : A 79 MET CE :methyl 145:sc= -0.454 (180deg=-0.558) USER MOD Single : A 82 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.26) USER MOD Single : A 83 SER OG : rot 25:sc= 0.956 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -164:sc= 1.29 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 15.739 -5.412 -3.840 1.00 0.00 N ATOM 86 CA GLU A 9 14.593 -6.158 -3.334 1.00 0.00 C ATOM 87 C GLU A 9 13.425 -5.223 -3.033 1.00 0.00 C ATOM 88 O GLU A 9 13.622 -4.080 -2.624 1.00 0.00 O ATOM 89 CB GLU A 9 14.977 -6.935 -2.073 1.00 0.00 C ATOM 90 CG GLU A 9 15.549 -8.314 -2.357 1.00 0.00 C ATOM 91 CD GLU A 9 15.398 -9.261 -1.183 1.00 0.00 C ATOM 92 OE1 GLU A 9 15.880 -8.924 -0.082 1.00 0.00 O ATOM 93 OE2 GLU A 9 14.796 -10.340 -1.366 1.00 0.00 O ATOM 0 HA GLU A 9 14.282 -6.863 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.709 -6.357 -1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.097 -7.040 -1.439 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.049 -8.738 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.605 -8.220 -2.610 1.00 0.00 H new ATOM 100 N ALA A 10 12.209 -5.719 -3.240 1.00 0.00 N ATOM 101 CA ALA A 10 11.010 -4.930 -2.989 1.00 0.00 C ATOM 102 C ALA A 10 10.441 -5.219 -1.604 1.00 0.00 C ATOM 103 O ALA A 10 10.845 -6.163 -0.926 1.00 0.00 O ATOM 104 CB ALA A 10 9.964 -5.205 -4.060 1.00 0.00 C ATOM 0 H ALA A 10 12.029 -6.663 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 10 11.285 -3.876 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.073 -4.609 -3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.366 -4.940 -5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.702 -6.263 -4.050 1.00 0.00 H new ATOM 110 N PRO A 11 9.481 -4.387 -1.172 1.00 0.00 N ATOM 111 CA PRO A 11 8.837 -4.534 0.136 1.00 0.00 C ATOM 112 C PRO A 11 7.939 -5.765 0.205 1.00 0.00 C ATOM 113 O PRO A 11 7.326 -6.154 -0.789 1.00 0.00 O ATOM 114 CB PRO A 11 8.004 -3.256 0.267 1.00 0.00 C ATOM 115 CG PRO A 11 7.740 -2.832 -1.136 1.00 0.00 C ATOM 116 CD PRO A 11 8.951 -3.241 -1.928 1.00 0.00 C ATOM 0 HA PRO A 11 9.565 -4.668 0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.075 -3.442 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.544 -2.486 0.819 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.840 -3.309 -1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.581 -1.755 -1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.689 -3.520 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.679 -2.433 -1.995 1.00 0.00 H new ATOM 124 N ARG A 12 7.865 -6.372 1.385 1.00 0.00 N ATOM 125 CA ARG A 12 7.042 -7.559 1.583 1.00 0.00 C ATOM 126 C ARG A 12 6.183 -7.422 2.837 1.00 0.00 C ATOM 127 O ARG A 12 6.286 -6.437 3.567 1.00 0.00 O ATOM 128 CB ARG A 12 7.923 -8.805 1.689 1.00 0.00 C ATOM 129 CG ARG A 12 9.004 -8.698 2.752 1.00 0.00 C ATOM 130 CD ARG A 12 8.515 -9.209 4.098 1.00 0.00 C ATOM 131 NE ARG A 12 8.244 -10.644 4.073 1.00 0.00 N ATOM 132 CZ ARG A 12 9.191 -11.568 3.963 1.00 0.00 C ATOM 133 NH1 ARG A 12 10.464 -11.210 3.868 1.00 0.00 N ATOM 134 NH2 ARG A 12 8.866 -12.855 3.948 1.00 0.00 N ATOM 0 H ARG A 12 8.365 -6.061 2.218 1.00 0.00 H new ATOM 0 HA ARG A 12 6.383 -7.661 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.293 -9.667 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.392 -8.991 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.879 -9.269 2.441 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.319 -7.659 2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.264 -8.995 4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.609 -8.674 4.381 1.00 0.00 H new ATOM 0 HE ARG A 12 7.275 -10.953 4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.718 -10.222 3.879 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.189 -11.922 3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.888 -13.135 4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.594 -13.564 3.863 1.00 0.00 H new ATOM 148 N ASP A 13 5.337 -8.417 3.079 1.00 0.00 N ATOM 149 CA ASP A 13 4.461 -8.409 4.245 1.00 0.00 C ATOM 150 C ASP A 13 3.586 -7.159 4.258 1.00 0.00 C ATOM 151 O ASP A 13 3.327 -6.580 5.314 1.00 0.00 O ATOM 152 CB ASP A 13 5.286 -8.482 5.530 1.00 0.00 C ATOM 153 CG ASP A 13 4.431 -8.754 6.753 1.00 0.00 C ATOM 154 OD1 ASP A 13 3.638 -9.717 6.719 1.00 0.00 O ATOM 155 OD2 ASP A 13 4.554 -8.002 7.742 1.00 0.00 O ATOM 0 H ASP A 13 5.239 -9.239 2.484 1.00 0.00 H new ATOM 0 HA ASP A 13 3.813 -9.284 4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.036 -9.267 5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.823 -7.543 5.667 1.00 0.00 H new ATOM 160 N LEU A 14 3.134 -6.748 3.078 1.00 0.00 N ATOM 161 CA LEU A 14 2.288 -5.566 2.953 1.00 0.00 C ATOM 162 C LEU A 14 0.835 -5.899 3.274 1.00 0.00 C ATOM 163 O LEU A 14 0.149 -6.549 2.487 1.00 0.00 O ATOM 164 CB LEU A 14 2.391 -4.989 1.540 1.00 0.00 C ATOM 165 CG LEU A 14 1.283 -4.017 1.130 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.549 -2.633 1.701 1.00 0.00 C ATOM 167 CD2 LEU A 14 1.162 -3.956 -0.386 1.00 0.00 C ATOM 0 H LEU A 14 3.339 -7.215 2.195 1.00 0.00 H new ATOM 0 HA LEU A 14 2.637 -4.822 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.349 -4.477 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.402 -5.817 0.831 1.00 0.00 H new ATOM 0 HG LEU A 14 0.339 -4.380 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.751 -1.955 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.585 -2.689 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.502 -2.261 1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.369 -3.260 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.106 -3.617 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.924 -4.947 -0.772 1.00 0.00 H new ATOM 179 N GLU A 15 0.373 -5.447 4.436 1.00 0.00 N ATOM 180 CA GLU A 15 -1.000 -5.697 4.860 1.00 0.00 C ATOM 181 C GLU A 15 -1.626 -4.435 5.446 1.00 0.00 C ATOM 182 O GLU A 15 -0.922 -3.527 5.888 1.00 0.00 O ATOM 183 CB GLU A 15 -1.041 -6.826 5.891 1.00 0.00 C ATOM 184 CG GLU A 15 -2.446 -7.188 6.342 1.00 0.00 C ATOM 185 CD GLU A 15 -3.309 -7.702 5.206 1.00 0.00 C ATOM 186 OE1 GLU A 15 -3.613 -6.912 4.288 1.00 0.00 O ATOM 187 OE2 GLU A 15 -3.681 -8.894 5.235 1.00 0.00 O ATOM 0 H GLU A 15 0.928 -4.907 5.099 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.576 -5.994 3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.565 -7.711 5.468 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.453 -6.534 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.389 -7.947 7.122 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.919 -6.311 6.784 1.00 0.00 H new ATOM 194 N ALA A 16 -2.955 -4.386 5.446 1.00 0.00 N ATOM 195 CA ALA A 16 -3.676 -3.237 5.979 1.00 0.00 C ATOM 196 C ALA A 16 -3.959 -3.408 7.468 1.00 0.00 C ATOM 197 O ALA A 16 -4.282 -4.504 7.927 1.00 0.00 O ATOM 198 CB ALA A 16 -4.975 -3.028 5.214 1.00 0.00 C ATOM 0 H ALA A 16 -3.553 -5.128 5.083 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.047 -2.355 5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.503 -2.167 5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.753 -2.852 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.600 -3.916 5.309 1.00 0.00 H new ATOM 204 N LYS A 17 -3.835 -2.319 8.218 1.00 0.00 N ATOM 205 CA LYS A 17 -4.077 -2.347 9.656 1.00 0.00 C ATOM 206 C LYS A 17 -4.908 -1.144 10.091 1.00 0.00 C ATOM 207 O LYS A 17 -5.039 -0.170 9.352 1.00 0.00 O ATOM 208 CB LYS A 17 -2.750 -2.367 10.417 1.00 0.00 C ATOM 209 CG LYS A 17 -1.903 -3.595 10.132 1.00 0.00 C ATOM 210 CD LYS A 17 -0.960 -3.364 8.963 1.00 0.00 C ATOM 211 CE LYS A 17 -0.544 -4.676 8.315 1.00 0.00 C ATOM 212 NZ LYS A 17 0.020 -5.631 9.309 1.00 0.00 N ATOM 0 H LYS A 17 -3.568 -1.404 7.854 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.635 -3.254 9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.180 -1.475 10.159 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.954 -2.317 11.487 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.326 -3.854 11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.552 -4.443 9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.446 -2.729 8.222 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.074 -2.831 9.308 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.406 -5.129 7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.196 -4.479 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.460 -6.431 8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.736 -5.147 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.742 -5.983 9.924 1.00 0.00 H new ATOM 226 N GLU A 18 -5.465 -1.221 11.296 1.00 0.00 N ATOM 227 CA GLU A 18 -6.282 -0.137 11.829 1.00 0.00 C ATOM 228 C GLU A 18 -7.291 0.345 10.791 1.00 0.00 C ATOM 229 O GLU A 18 -7.628 1.528 10.737 1.00 0.00 O ATOM 230 CB GLU A 18 -5.395 1.029 12.273 1.00 0.00 C ATOM 231 CG GLU A 18 -4.304 0.625 13.250 1.00 0.00 C ATOM 232 CD GLU A 18 -4.856 0.001 14.517 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.271 -1.175 14.467 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.872 0.690 15.558 1.00 0.00 O ATOM 0 H GLU A 18 -5.366 -2.021 11.920 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.828 -0.519 12.692 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.935 1.480 11.394 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.019 1.794 12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.631 -0.082 12.765 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.711 1.502 13.510 1.00 0.00 H new ATOM 241 N VAL A 19 -7.771 -0.581 9.967 1.00 0.00 N ATOM 242 CA VAL A 19 -8.742 -0.253 8.930 1.00 0.00 C ATOM 243 C VAL A 19 -10.018 0.323 9.535 1.00 0.00 C ATOM 244 O VAL A 19 -10.550 -0.206 10.511 1.00 0.00 O ATOM 245 CB VAL A 19 -9.101 -1.490 8.085 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.149 -1.137 7.041 1.00 0.00 C ATOM 247 CG2 VAL A 19 -7.856 -2.066 7.429 1.00 0.00 C ATOM 0 H VAL A 19 -7.503 -1.565 9.998 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.278 0.495 8.287 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.521 -2.250 8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.390 -2.023 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.049 -0.774 7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.760 -0.360 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.128 -2.939 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.405 -1.314 6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.141 -2.358 8.198 1.00 0.00 H new ATOM 257 N THR A 20 -10.505 1.413 8.948 1.00 0.00 N ATOM 258 CA THR A 20 -11.717 2.062 9.428 1.00 0.00 C ATOM 259 C THR A 20 -12.501 2.684 8.278 1.00 0.00 C ATOM 260 O THR A 20 -11.960 2.968 7.209 1.00 0.00 O ATOM 261 CB THR A 20 -11.396 3.154 10.466 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.149 3.781 10.147 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.331 2.567 11.868 1.00 0.00 C ATOM 0 H THR A 20 -10.077 1.864 8.139 1.00 0.00 H new ATOM 0 HA THR A 20 -12.323 1.289 9.900 1.00 0.00 H new ATOM 0 HB THR A 20 -12.193 3.897 10.438 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.045 3.826 9.174 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.103 3.357 12.583 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.291 2.117 12.119 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.552 1.806 11.908 1.00 0.00 H new ATOM 271 N PRO A 21 -13.806 2.903 8.500 1.00 0.00 N ATOM 272 CA PRO A 21 -14.691 3.495 7.493 1.00 0.00 C ATOM 273 C PRO A 21 -14.385 4.969 7.247 1.00 0.00 C ATOM 274 O PRO A 21 -15.066 5.631 6.464 1.00 0.00 O ATOM 275 CB PRO A 21 -16.084 3.333 8.106 1.00 0.00 C ATOM 276 CG PRO A 21 -15.846 3.270 9.576 1.00 0.00 C ATOM 277 CD PRO A 21 -14.517 2.589 9.751 1.00 0.00 C ATOM 0 HA PRO A 21 -14.580 3.016 6.520 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.731 4.170 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.573 2.428 7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.833 4.269 10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.639 2.714 10.076 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.983 2.968 10.623 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.631 1.514 9.889 1.00 0.00 H new ATOM 285 N ARG A 22 -13.358 5.476 7.920 1.00 0.00 N ATOM 286 CA ARG A 22 -12.963 6.871 7.775 1.00 0.00 C ATOM 287 C ARG A 22 -11.517 6.981 7.298 1.00 0.00 C ATOM 288 O ARG A 22 -11.167 7.890 6.545 1.00 0.00 O ATOM 289 CB ARG A 22 -13.130 7.612 9.103 1.00 0.00 C ATOM 290 CG ARG A 22 -14.560 7.624 9.618 1.00 0.00 C ATOM 291 CD ARG A 22 -14.675 8.394 10.925 1.00 0.00 C ATOM 292 NE ARG A 22 -16.047 8.819 11.191 1.00 0.00 N ATOM 293 CZ ARG A 22 -16.378 9.671 12.154 1.00 0.00 C ATOM 294 NH1 ARG A 22 -15.442 10.186 12.939 1.00 0.00 N ATOM 295 NH2 ARG A 22 -17.648 10.009 12.334 1.00 0.00 N ATOM 0 H ARG A 22 -12.784 4.941 8.572 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.610 7.329 7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.487 7.148 9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.788 8.640 8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.213 8.074 8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.903 6.600 9.766 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.323 7.769 11.746 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.025 9.268 10.889 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.791 8.441 10.605 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.464 9.928 12.804 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.699 10.840 13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.371 9.614 11.732 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.902 10.664 13.074 1.00 0.00 H new ATOM 309 N THR A 23 -10.681 6.047 7.741 1.00 0.00 N ATOM 310 CA THR A 23 -9.274 6.039 7.361 1.00 0.00 C ATOM 311 C THR A 23 -8.718 4.620 7.340 1.00 0.00 C ATOM 312 O THR A 23 -9.389 3.674 7.754 1.00 0.00 O ATOM 313 CB THR A 23 -8.428 6.895 8.322 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.356 6.264 9.606 1.00 0.00 O ATOM 315 CG2 THR A 23 -9.019 8.289 8.469 1.00 0.00 C ATOM 0 H THR A 23 -10.954 5.286 8.363 1.00 0.00 H new ATOM 0 HA THR A 23 -9.215 6.464 6.359 1.00 0.00 H new ATOM 0 HB THR A 23 -7.425 6.985 7.905 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.070 5.597 9.683 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.404 8.875 9.152 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.045 8.778 7.495 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.032 8.215 8.865 1.00 0.00 H new ATOM 323 N ALA A 24 -7.489 4.477 6.856 1.00 0.00 N ATOM 324 CA ALA A 24 -6.842 3.173 6.783 1.00 0.00 C ATOM 325 C ALA A 24 -5.324 3.311 6.810 1.00 0.00 C ATOM 326 O ALA A 24 -4.745 4.068 6.030 1.00 0.00 O ATOM 327 CB ALA A 24 -7.285 2.433 5.530 1.00 0.00 C ATOM 0 H ALA A 24 -6.921 5.249 6.508 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.143 2.596 7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.794 1.461 5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.366 2.293 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.013 3.014 4.649 1.00 0.00 H new ATOM 333 N LEU A 25 -4.684 2.575 7.713 1.00 0.00 N ATOM 334 CA LEU A 25 -3.232 2.616 7.842 1.00 0.00 C ATOM 335 C LEU A 25 -2.594 1.383 7.210 1.00 0.00 C ATOM 336 O LEU A 25 -3.012 0.253 7.469 1.00 0.00 O ATOM 337 CB LEU A 25 -2.833 2.712 9.316 1.00 0.00 C ATOM 338 CG LEU A 25 -1.354 2.482 9.628 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.588 3.795 9.579 1.00 0.00 C ATOM 340 CD2 LEU A 25 -1.193 1.818 10.988 1.00 0.00 C ATOM 0 H LEU A 25 -5.148 1.943 8.366 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.870 3.500 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.112 3.700 9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.419 1.985 9.878 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.941 1.816 8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.463 3.612 9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.676 4.231 8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.001 4.485 10.315 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.134 1.662 11.194 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.622 2.459 11.759 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.708 0.857 10.987 1.00 0.00 H new ATOM 352 N LEU A 26 -1.579 1.606 6.383 1.00 0.00 N ATOM 353 CA LEU A 26 -0.881 0.513 5.715 1.00 0.00 C ATOM 354 C LEU A 26 0.582 0.460 6.141 1.00 0.00 C ATOM 355 O LEU A 26 1.294 1.464 6.083 1.00 0.00 O ATOM 356 CB LEU A 26 -0.977 0.672 4.197 1.00 0.00 C ATOM 357 CG LEU A 26 -2.289 0.216 3.556 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.562 1.002 2.283 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.249 -1.277 3.264 1.00 0.00 C ATOM 0 H LEU A 26 -1.221 2.534 6.159 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.359 -0.422 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.822 1.722 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.160 0.114 3.741 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.100 0.407 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.499 0.664 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.634 2.064 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.749 0.842 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.190 -1.584 2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.428 -1.492 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.100 -1.826 4.194 1.00 0.00 H new ATOM 371 N THR A 27 1.028 -0.718 6.567 1.00 0.00 N ATOM 372 CA THR A 27 2.406 -0.902 7.002 1.00 0.00 C ATOM 373 C THR A 27 3.096 -1.995 6.193 1.00 0.00 C ATOM 374 O THR A 27 2.525 -3.059 5.957 1.00 0.00 O ATOM 375 CB THR A 27 2.481 -1.261 8.498 1.00 0.00 C ATOM 376 OG1 THR A 27 2.208 -2.655 8.681 1.00 0.00 O ATOM 377 CG2 THR A 27 1.489 -0.435 9.303 1.00 0.00 C ATOM 0 H THR A 27 0.454 -1.559 6.620 1.00 0.00 H new ATOM 0 HA THR A 27 2.918 0.046 6.838 1.00 0.00 H new ATOM 0 HB THR A 27 3.487 -1.038 8.853 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.259 -2.876 9.634 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.560 -0.706 10.356 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.717 0.624 9.185 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.478 -0.631 8.946 1.00 0.00 H new ATOM 385 N TRP A 28 4.327 -1.725 5.773 1.00 0.00 N ATOM 386 CA TRP A 28 5.095 -2.687 4.990 1.00 0.00 C ATOM 387 C TRP A 28 6.461 -2.935 5.622 1.00 0.00 C ATOM 388 O TRP A 28 6.860 -2.240 6.557 1.00 0.00 O ATOM 389 CB TRP A 28 5.266 -2.188 3.555 1.00 0.00 C ATOM 390 CG TRP A 28 6.071 -0.927 3.456 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.422 -0.829 3.288 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.574 0.414 3.522 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.796 0.493 3.245 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.680 1.275 3.386 1.00 0.00 C ATOM 395 CE3 TRP A 28 4.302 0.971 3.681 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.551 2.661 3.405 1.00 0.00 C ATOM 397 CZ3 TRP A 28 4.176 2.347 3.700 1.00 0.00 C ATOM 398 CH2 TRP A 28 5.295 3.180 3.562 1.00 0.00 C ATOM 0 H TRP A 28 4.814 -0.849 5.961 1.00 0.00 H new ATOM 0 HA TRP A 28 4.545 -3.628 4.976 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.748 -2.966 2.963 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.282 -2.018 3.118 1.00 0.00 H new ATOM 0 HD1 TRP A 28 8.098 -1.667 3.202 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.749 0.836 3.127 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.434 0.338 3.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.412 3.304 3.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.198 2.788 3.823 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.163 4.252 3.580 1.00 0.00 H new ATOM 409 N THR A 29 7.175 -3.930 5.105 1.00 0.00 N ATOM 410 CA THR A 29 8.496 -4.270 5.619 1.00 0.00 C ATOM 411 C THR A 29 9.591 -3.552 4.838 1.00 0.00 C ATOM 412 O THR A 29 9.608 -3.579 3.608 1.00 0.00 O ATOM 413 CB THR A 29 8.749 -5.788 5.558 1.00 0.00 C ATOM 414 OG1 THR A 29 7.780 -6.479 6.354 1.00 0.00 O ATOM 415 CG2 THR A 29 10.149 -6.124 6.049 1.00 0.00 C ATOM 0 H THR A 29 6.860 -4.515 4.331 1.00 0.00 H new ATOM 0 HA THR A 29 8.523 -3.946 6.659 1.00 0.00 H new ATOM 0 HB THR A 29 8.659 -6.107 4.520 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.855 -7.443 6.196 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.304 -7.202 5.997 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.885 -5.620 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.262 -5.791 7.081 1.00 0.00 H new ATOM 423 N GLU A 30 10.503 -2.911 5.562 1.00 0.00 N ATOM 424 CA GLU A 30 11.602 -2.185 4.935 1.00 0.00 C ATOM 425 C GLU A 30 12.575 -3.148 4.260 1.00 0.00 C ATOM 426 O GLU A 30 13.093 -4.080 4.875 1.00 0.00 O ATOM 427 CB GLU A 30 12.343 -1.341 5.974 1.00 0.00 C ATOM 428 CG GLU A 30 12.804 0.007 5.445 1.00 0.00 C ATOM 429 CD GLU A 30 14.074 0.493 6.116 1.00 0.00 C ATOM 430 OE1 GLU A 30 14.077 0.625 7.358 1.00 0.00 O ATOM 431 OE2 GLU A 30 15.066 0.742 5.399 1.00 0.00 O ATOM 0 H GLU A 30 10.503 -2.879 6.582 1.00 0.00 H new ATOM 0 HA GLU A 30 11.182 -1.527 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.691 -1.181 6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.209 -1.898 6.331 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.970 -0.066 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.013 0.742 5.596 1.00 0.00 H new ATOM 438 N PRO A 31 12.828 -2.919 2.963 1.00 0.00 N ATOM 439 CA PRO A 31 13.739 -3.755 2.174 1.00 0.00 C ATOM 440 C PRO A 31 15.195 -3.577 2.591 1.00 0.00 C ATOM 441 O PRO A 31 15.547 -2.659 3.332 1.00 0.00 O ATOM 442 CB PRO A 31 13.528 -3.256 0.743 1.00 0.00 C ATOM 443 CG PRO A 31 13.051 -1.853 0.896 1.00 0.00 C ATOM 444 CD PRO A 31 12.246 -1.827 2.166 1.00 0.00 C ATOM 0 HA PRO A 31 13.534 -4.818 2.304 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.453 -3.299 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.796 -3.867 0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.890 -1.159 0.951 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.444 -1.552 0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.332 -0.868 2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.186 -1.992 1.973 1.00 0.00 H new ATOM 452 N PRO A 32 16.064 -4.476 2.106 1.00 0.00 N ATOM 453 CA PRO A 32 17.497 -4.439 2.414 1.00 0.00 C ATOM 454 C PRO A 32 18.201 -3.258 1.756 1.00 0.00 C ATOM 455 O PRO A 32 19.265 -2.829 2.203 1.00 0.00 O ATOM 456 CB PRO A 32 18.017 -5.759 1.840 1.00 0.00 C ATOM 457 CG PRO A 32 17.053 -6.109 0.760 1.00 0.00 C ATOM 458 CD PRO A 32 15.715 -5.598 1.218 1.00 0.00 C ATOM 0 HA PRO A 32 17.682 -4.320 3.482 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.028 -5.649 1.448 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.054 -6.535 2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.343 -5.651 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.024 -7.186 0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.101 -5.270 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.150 -6.367 1.745 1.00 0.00 H new ATOM 466 N VAL A 33 17.600 -2.734 0.692 1.00 0.00 N ATOM 467 CA VAL A 33 18.169 -1.600 -0.026 1.00 0.00 C ATOM 468 C VAL A 33 17.313 -0.351 0.151 1.00 0.00 C ATOM 469 O VAL A 33 16.353 -0.134 -0.589 1.00 0.00 O ATOM 470 CB VAL A 33 18.311 -1.903 -1.530 1.00 0.00 C ATOM 471 CG1 VAL A 33 19.010 -0.755 -2.242 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.063 -3.209 -1.741 1.00 0.00 C ATOM 0 H VAL A 33 16.719 -3.077 0.309 1.00 0.00 H new ATOM 0 HA VAL A 33 19.158 -1.421 0.397 1.00 0.00 H new ATOM 0 HB VAL A 33 17.314 -2.011 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.101 -0.987 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.428 0.158 -2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.003 -0.612 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.154 -3.408 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.057 -3.132 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.517 -4.024 -1.266 1.00 0.00 H new ATOM 482 N ARG A 34 17.667 0.467 1.136 1.00 0.00 N ATOM 483 CA ARG A 34 16.930 1.695 1.411 1.00 0.00 C ATOM 484 C ARG A 34 16.737 2.510 0.136 1.00 0.00 C ATOM 485 O ARG A 34 17.668 3.127 -0.382 1.00 0.00 O ATOM 486 CB ARG A 34 17.666 2.532 2.459 1.00 0.00 C ATOM 487 CG ARG A 34 16.810 3.628 3.073 1.00 0.00 C ATOM 488 CD ARG A 34 17.382 4.104 4.399 1.00 0.00 C ATOM 489 NE ARG A 34 17.181 3.126 5.465 1.00 0.00 N ATOM 490 CZ ARG A 34 17.641 3.281 6.701 1.00 0.00 C ATOM 491 NH1 ARG A 34 18.324 4.370 7.026 1.00 0.00 N ATOM 492 NH2 ARG A 34 17.417 2.346 7.616 1.00 0.00 N ATOM 0 H ARG A 34 18.459 0.302 1.757 1.00 0.00 H new ATOM 0 HA ARG A 34 15.948 1.422 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 34 18.023 1.874 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.545 2.984 1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.742 4.468 2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.796 3.257 3.225 1.00 0.00 H new ATOM 0 HD2 ARG A 34 18.448 4.301 4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.912 5.047 4.679 1.00 0.00 H new ATOM 0 HE ARG A 34 16.659 2.277 5.248 1.00 0.00 H new ATOM 0 HH11 ARG A 34 18.497 5.091 6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 34 18.676 4.487 7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 34 16.891 1.507 7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 34 17.771 2.466 8.565 1.00 0.00 H new ATOM 506 N PRO A 35 15.500 2.514 -0.383 1.00 0.00 N ATOM 507 CA PRO A 35 15.156 3.249 -1.603 1.00 0.00 C ATOM 508 C PRO A 35 15.179 4.760 -1.396 1.00 0.00 C ATOM 509 O PRO A 35 15.189 5.240 -0.263 1.00 0.00 O ATOM 510 CB PRO A 35 13.734 2.774 -1.914 1.00 0.00 C ATOM 511 CG PRO A 35 13.180 2.349 -0.598 1.00 0.00 C ATOM 512 CD PRO A 35 14.342 1.801 0.183 1.00 0.00 C ATOM 0 HA PRO A 35 15.869 3.061 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.138 3.573 -2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.739 1.949 -2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.722 3.190 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.405 1.593 -0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.235 1.993 1.251 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.435 0.722 0.061 1.00 0.00 H new ATOM 520 N ALA A 36 15.187 5.504 -2.497 1.00 0.00 N ATOM 521 CA ALA A 36 15.206 6.960 -2.435 1.00 0.00 C ATOM 522 C ALA A 36 13.895 7.503 -1.877 1.00 0.00 C ATOM 523 O ALA A 36 13.892 8.308 -0.947 1.00 0.00 O ATOM 524 CB ALA A 36 15.477 7.543 -3.814 1.00 0.00 C ATOM 0 H ALA A 36 15.181 5.122 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 36 16.009 7.260 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.488 8.631 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.443 7.190 -4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.694 7.226 -4.503 1.00 0.00 H new ATOM 530 N GLY A 37 12.782 7.058 -2.453 1.00 0.00 N ATOM 531 CA GLY A 37 11.480 7.511 -2.000 1.00 0.00 C ATOM 532 C GLY A 37 10.397 6.473 -2.218 1.00 0.00 C ATOM 533 O GLY A 37 10.641 5.428 -2.821 1.00 0.00 O ATOM 0 H GLY A 37 12.759 6.392 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.534 7.759 -0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.213 8.426 -2.528 1.00 0.00 H new ATOM 537 N TYR A 38 9.197 6.761 -1.725 1.00 0.00 N ATOM 538 CA TYR A 38 8.073 5.842 -1.865 1.00 0.00 C ATOM 539 C TYR A 38 6.900 6.521 -2.565 1.00 0.00 C ATOM 540 O TYR A 38 6.692 7.727 -2.426 1.00 0.00 O ATOM 541 CB TYR A 38 7.635 5.326 -0.494 1.00 0.00 C ATOM 542 CG TYR A 38 8.604 4.342 0.121 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.774 3.073 -0.420 1.00 0.00 C ATOM 544 CD2 TYR A 38 9.351 4.681 1.243 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.658 2.171 0.139 1.00 0.00 C ATOM 546 CE2 TYR A 38 10.238 3.785 1.807 1.00 0.00 C ATOM 547 CZ TYR A 38 10.388 2.531 1.252 1.00 0.00 C ATOM 548 OH TYR A 38 11.270 1.636 1.811 1.00 0.00 O ATOM 0 H TYR A 38 8.978 7.623 -1.225 1.00 0.00 H new ATOM 0 HA TYR A 38 8.398 4.999 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.513 6.173 0.181 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.659 4.850 -0.589 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.205 2.787 -1.292 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.236 5.661 1.681 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.777 1.189 -0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.811 4.065 2.678 1.00 0.00 H new ATOM 0 HH TYR A 38 11.705 2.047 2.588 1.00 0.00 H new ATOM 558 N LEU A 39 6.134 5.737 -3.316 1.00 0.00 N ATOM 559 CA LEU A 39 4.979 6.261 -4.038 1.00 0.00 C ATOM 560 C LEU A 39 3.737 5.422 -3.758 1.00 0.00 C ATOM 561 O LEU A 39 3.562 4.343 -4.325 1.00 0.00 O ATOM 562 CB LEU A 39 5.262 6.288 -5.541 1.00 0.00 C ATOM 563 CG LEU A 39 4.395 7.235 -6.370 1.00 0.00 C ATOM 564 CD1 LEU A 39 4.554 8.667 -5.884 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.749 7.128 -7.846 1.00 0.00 C ATOM 0 H LEU A 39 6.291 4.737 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 39 4.794 7.278 -3.691 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.307 6.561 -5.689 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.138 5.278 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 39 3.352 6.945 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.929 9.327 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.250 8.733 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.597 8.969 -5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.122 7.809 -8.421 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.797 7.392 -7.989 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.582 6.106 -8.187 1.00 0.00 H new ATOM 577 N LEU A 40 2.875 5.926 -2.881 1.00 0.00 N ATOM 578 CA LEU A 40 1.645 5.225 -2.527 1.00 0.00 C ATOM 579 C LEU A 40 0.465 5.752 -3.337 1.00 0.00 C ATOM 580 O LEU A 40 0.057 6.903 -3.181 1.00 0.00 O ATOM 581 CB LEU A 40 1.361 5.376 -1.032 1.00 0.00 C ATOM 582 CG LEU A 40 0.124 4.648 -0.507 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.416 3.167 -0.318 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.348 5.271 0.799 1.00 0.00 C ATOM 0 H LEU A 40 3.005 6.817 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 40 1.778 4.169 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.230 5.018 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.256 6.438 -0.808 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.673 4.749 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.476 2.665 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.705 2.728 -1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.228 3.045 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.230 4.740 1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.446 5.201 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.598 6.319 0.633 1.00 0.00 H new ATOM 596 N SER A 41 -0.080 4.902 -4.201 1.00 0.00 N ATOM 597 CA SER A 41 -1.213 5.282 -5.036 1.00 0.00 C ATOM 598 C SER A 41 -2.445 4.450 -4.693 1.00 0.00 C ATOM 599 O SER A 41 -2.509 3.259 -5.000 1.00 0.00 O ATOM 600 CB SER A 41 -0.864 5.110 -6.516 1.00 0.00 C ATOM 601 OG SER A 41 -1.978 5.403 -7.341 1.00 0.00 O ATOM 0 H SER A 41 0.245 3.945 -4.341 1.00 0.00 H new ATOM 0 HA SER A 41 -1.439 6.331 -4.842 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.033 5.766 -6.775 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.532 4.088 -6.698 1.00 0.00 H new ATOM 0 HG SER A 41 -2.435 6.201 -7.002 1.00 0.00 H new ATOM 607 N PHE A 42 -3.422 5.086 -4.055 1.00 0.00 N ATOM 608 CA PHE A 42 -4.652 4.406 -3.668 1.00 0.00 C ATOM 609 C PHE A 42 -5.819 4.854 -4.542 1.00 0.00 C ATOM 610 O PHE A 42 -6.143 6.041 -4.605 1.00 0.00 O ATOM 611 CB PHE A 42 -4.969 4.677 -2.196 1.00 0.00 C ATOM 612 CG PHE A 42 -5.595 6.021 -1.955 1.00 0.00 C ATOM 613 CD1 PHE A 42 -4.808 7.155 -1.830 1.00 0.00 C ATOM 614 CD2 PHE A 42 -6.971 6.151 -1.856 1.00 0.00 C ATOM 615 CE1 PHE A 42 -5.382 8.392 -1.608 1.00 0.00 C ATOM 616 CE2 PHE A 42 -7.551 7.387 -1.634 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.755 8.509 -1.511 1.00 0.00 C ATOM 0 H PHE A 42 -3.386 6.072 -3.795 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.505 3.335 -3.809 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.641 3.901 -1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -4.050 4.604 -1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.734 7.071 -1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.598 5.277 -1.953 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.757 9.267 -1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.625 7.475 -1.557 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.205 9.476 -1.339 1.00 0.00 H new ATOM 627 N HIS A 43 -6.448 3.896 -5.217 1.00 0.00 N ATOM 628 CA HIS A 43 -7.579 4.192 -6.088 1.00 0.00 C ATOM 629 C HIS A 43 -8.710 3.191 -5.869 1.00 0.00 C ATOM 630 O HIS A 43 -8.477 2.057 -5.448 1.00 0.00 O ATOM 631 CB HIS A 43 -7.141 4.171 -7.553 1.00 0.00 C ATOM 632 CG HIS A 43 -7.230 2.816 -8.186 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.416 1.763 -7.826 1.00 0.00 N ATOM 634 CD2 HIS A 43 -8.045 2.345 -9.159 1.00 0.00 C ATOM 635 CE1 HIS A 43 -6.725 0.703 -8.552 1.00 0.00 C ATOM 636 NE2 HIS A 43 -7.711 1.030 -9.368 1.00 0.00 N ATOM 0 H HIS A 43 -6.193 2.909 -5.177 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.946 5.188 -5.840 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.759 4.868 -8.118 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.113 4.528 -7.622 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.814 2.900 -9.675 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.252 -0.266 -8.489 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.153 0.407 -10.044 1.00 0.00 H new ATOM 645 N THR A 44 -9.936 3.617 -6.156 1.00 0.00 N ATOM 646 CA THR A 44 -11.102 2.760 -5.989 1.00 0.00 C ATOM 647 C THR A 44 -11.326 1.889 -7.220 1.00 0.00 C ATOM 648 O THR A 44 -10.949 2.243 -8.337 1.00 0.00 O ATOM 649 CB THR A 44 -12.374 3.587 -5.721 1.00 0.00 C ATOM 650 OG1 THR A 44 -12.994 3.947 -6.960 1.00 0.00 O ATOM 651 CG2 THR A 44 -12.045 4.844 -4.929 1.00 0.00 C ATOM 0 H THR A 44 -10.147 4.552 -6.506 1.00 0.00 H new ATOM 0 HA THR A 44 -10.904 2.122 -5.127 1.00 0.00 H new ATOM 0 HB THR A 44 -13.061 2.977 -5.135 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.803 4.471 -6.781 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.958 5.412 -4.752 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.599 4.566 -3.974 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.341 5.456 -5.493 1.00 0.00 H new ATOM 659 N PRO A 45 -11.954 0.722 -7.014 1.00 0.00 N ATOM 660 CA PRO A 45 -12.244 -0.223 -8.096 1.00 0.00 C ATOM 661 C PRO A 45 -13.314 0.298 -9.050 1.00 0.00 C ATOM 662 O PRO A 45 -13.721 -0.397 -9.980 1.00 0.00 O ATOM 663 CB PRO A 45 -12.745 -1.466 -7.357 1.00 0.00 C ATOM 664 CG PRO A 45 -13.284 -0.949 -6.069 1.00 0.00 C ATOM 665 CD PRO A 45 -12.431 0.236 -5.708 1.00 0.00 C ATOM 0 HA PRO A 45 -11.371 -0.406 -8.722 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.515 -1.983 -7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.938 -2.180 -7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.330 -0.660 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.239 -1.713 -5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.004 0.998 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.603 -0.047 -5.058 1.00 0.00 H new ATOM 704 N THR A 49 -8.089 7.834 -9.582 1.00 0.00 N ATOM 705 CA THR A 49 -6.916 7.427 -8.819 1.00 0.00 C ATOM 706 C THR A 49 -6.170 8.639 -8.272 1.00 0.00 C ATOM 707 O THR A 49 -6.224 9.724 -8.849 1.00 0.00 O ATOM 708 CB THR A 49 -5.951 6.587 -9.676 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.531 5.309 -9.957 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.619 6.401 -8.966 1.00 0.00 C ATOM 0 HA THR A 49 -7.274 6.818 -7.989 1.00 0.00 H new ATOM 0 HB THR A 49 -5.775 7.118 -10.611 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.912 4.782 -10.504 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.954 5.805 -9.591 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.166 7.375 -8.781 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.781 5.890 -8.017 1.00 0.00 H new ATOM 718 N GLN A 50 -5.473 8.444 -7.157 1.00 0.00 N ATOM 719 CA GLN A 50 -4.715 9.523 -6.533 1.00 0.00 C ATOM 720 C GLN A 50 -3.313 9.056 -6.157 1.00 0.00 C ATOM 721 O GLN A 50 -3.090 7.872 -5.906 1.00 0.00 O ATOM 722 CB GLN A 50 -5.445 10.035 -5.290 1.00 0.00 C ATOM 723 CG GLN A 50 -4.756 11.213 -4.622 1.00 0.00 C ATOM 724 CD GLN A 50 -4.882 12.494 -5.422 1.00 0.00 C ATOM 725 OE1 GLN A 50 -5.986 12.989 -5.653 1.00 0.00 O ATOM 726 NE2 GLN A 50 -3.750 13.039 -5.852 1.00 0.00 N ATOM 0 H GLN A 50 -5.417 7.551 -6.668 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.627 10.335 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.458 10.327 -5.568 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.534 9.221 -4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.184 11.365 -3.631 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.701 10.979 -4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.857 12.595 -5.638 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.774 13.901 -6.396 1.00 0.00 H new ATOM 735 N GLU A 51 -2.371 9.994 -6.122 1.00 0.00 N ATOM 736 CA GLU A 51 -0.990 9.676 -5.778 1.00 0.00 C ATOM 737 C GLU A 51 -0.524 10.502 -4.582 1.00 0.00 C ATOM 738 O GLU A 51 -0.848 11.684 -4.466 1.00 0.00 O ATOM 739 CB GLU A 51 -0.072 9.930 -6.975 1.00 0.00 C ATOM 740 CG GLU A 51 -0.485 9.177 -8.229 1.00 0.00 C ATOM 741 CD GLU A 51 -1.554 9.905 -9.021 1.00 0.00 C ATOM 742 OE1 GLU A 51 -1.320 11.071 -9.401 1.00 0.00 O ATOM 743 OE2 GLU A 51 -2.624 9.308 -9.260 1.00 0.00 O ATOM 0 H GLU A 51 -2.539 10.979 -6.327 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.943 8.620 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.058 10.998 -7.191 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.946 9.645 -6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.390 9.024 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.853 8.190 -7.951 1.00 0.00 H new ATOM 750 N ILE A 52 0.237 9.870 -3.695 1.00 0.00 N ATOM 751 CA ILE A 52 0.748 10.545 -2.509 1.00 0.00 C ATOM 752 C ILE A 52 2.244 10.299 -2.338 1.00 0.00 C ATOM 753 O ILE A 52 2.673 9.177 -2.067 1.00 0.00 O ATOM 754 CB ILE A 52 0.014 10.081 -1.237 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.488 10.339 -1.366 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.576 10.789 -0.013 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.251 10.122 -0.078 1.00 0.00 C ATOM 0 H ILE A 52 0.513 8.891 -3.775 1.00 0.00 H new ATOM 0 HA ILE A 52 0.571 11.611 -2.652 1.00 0.00 H new ATOM 0 HB ILE A 52 0.170 9.009 -1.116 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.645 11.363 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.896 9.684 -2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.047 10.451 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.637 10.559 0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.447 11.866 -0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.309 10.323 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.125 9.090 0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.869 10.796 0.689 1.00 0.00 H new ATOM 769 N LEU A 53 3.033 11.356 -2.495 1.00 0.00 N ATOM 770 CA LEU A 53 4.482 11.257 -2.356 1.00 0.00 C ATOM 771 C LEU A 53 4.876 11.048 -0.898 1.00 0.00 C ATOM 772 O LEU A 53 4.829 11.978 -0.091 1.00 0.00 O ATOM 773 CB LEU A 53 5.154 12.518 -2.902 1.00 0.00 C ATOM 774 CG LEU A 53 6.619 12.372 -3.315 1.00 0.00 C ATOM 775 CD1 LEU A 53 7.455 11.868 -2.149 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.746 11.436 -4.509 1.00 0.00 C ATOM 0 H LEU A 53 2.694 12.292 -2.719 1.00 0.00 H new ATOM 0 HA LEU A 53 4.819 10.395 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.586 12.863 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.087 13.299 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 53 6.994 13.353 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.495 11.770 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.390 12.575 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.081 10.897 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.795 11.344 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.353 10.454 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.180 11.839 -5.349 1.00 0.00 H new ATOM 788 N LEU A 54 5.266 9.822 -0.565 1.00 0.00 N ATOM 789 CA LEU A 54 5.671 9.491 0.796 1.00 0.00 C ATOM 790 C LEU A 54 7.170 9.702 0.985 1.00 0.00 C ATOM 791 O LEU A 54 7.975 9.453 0.088 1.00 0.00 O ATOM 792 CB LEU A 54 5.304 8.041 1.120 1.00 0.00 C ATOM 793 CG LEU A 54 3.810 7.720 1.158 1.00 0.00 C ATOM 794 CD1 LEU A 54 3.551 6.481 2.002 1.00 0.00 C ATOM 795 CD2 LEU A 54 3.022 8.907 1.694 1.00 0.00 C ATOM 0 H LEU A 54 5.310 9.041 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 54 5.140 10.155 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.776 7.394 0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.735 7.786 2.088 1.00 0.00 H new ATOM 0 HG LEU A 54 3.476 7.518 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.482 6.268 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.084 5.632 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.901 6.654 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.961 8.660 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.359 9.141 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.182 9.771 1.049 1.00 0.00 H new ATOM 807 N PRO A 55 7.555 10.172 2.181 1.00 0.00 N ATOM 808 CA PRO A 55 8.959 10.424 2.517 1.00 0.00 C ATOM 809 C PRO A 55 9.764 9.136 2.654 1.00 0.00 C ATOM 810 O PRO A 55 9.572 8.371 3.598 1.00 0.00 O ATOM 811 CB PRO A 55 8.877 11.149 3.863 1.00 0.00 C ATOM 812 CG PRO A 55 7.586 10.702 4.456 1.00 0.00 C ATOM 813 CD PRO A 55 6.650 10.491 3.298 1.00 0.00 C ATOM 0 HA PRO A 55 9.467 10.995 1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.719 10.889 4.505 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.899 12.231 3.732 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.716 9.782 5.026 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.193 11.450 5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.949 9.679 3.491 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.057 11.382 3.093 1.00 0.00 H new ATOM 821 N GLY A 56 10.665 8.903 1.705 1.00 0.00 N ATOM 822 CA GLY A 56 11.485 7.706 1.739 1.00 0.00 C ATOM 823 C GLY A 56 12.126 7.481 3.094 1.00 0.00 C ATOM 824 O GLY A 56 13.051 8.196 3.478 1.00 0.00 O ATOM 0 H GLY A 56 10.842 9.521 0.913 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.872 6.842 1.482 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.264 7.781 0.980 1.00 0.00 H new ATOM 828 N GLY A 57 11.633 6.484 3.822 1.00 0.00 N ATOM 829 CA GLY A 57 12.175 6.185 5.135 1.00 0.00 C ATOM 830 C GLY A 57 11.094 5.873 6.151 1.00 0.00 C ATOM 831 O GLY A 57 11.225 6.207 7.329 1.00 0.00 O ATOM 0 H GLY A 57 10.868 5.878 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.854 5.336 5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.763 7.034 5.484 1.00 0.00 H new ATOM 835 N ILE A 58 10.022 5.233 5.695 1.00 0.00 N ATOM 836 CA ILE A 58 8.914 4.877 6.573 1.00 0.00 C ATOM 837 C ILE A 58 8.417 3.465 6.285 1.00 0.00 C ATOM 838 O ILE A 58 8.657 2.917 5.209 1.00 0.00 O ATOM 839 CB ILE A 58 7.740 5.863 6.425 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.895 5.503 5.202 1.00 0.00 C ATOM 841 CG2 ILE A 58 8.256 7.290 6.318 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.744 6.454 4.962 1.00 0.00 C ATOM 0 H ILE A 58 9.897 4.951 4.723 1.00 0.00 H new ATOM 0 HA ILE A 58 9.292 4.925 7.594 1.00 0.00 H new ATOM 0 HB ILE A 58 7.111 5.791 7.312 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.535 5.490 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.502 4.494 5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.414 7.974 6.214 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.819 7.542 7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.905 7.378 5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.189 6.138 4.079 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.082 6.450 5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.131 7.461 4.806 1.00 0.00 H new ATOM 854 N THR A 59 7.721 2.879 7.255 1.00 0.00 N ATOM 855 CA THR A 59 7.189 1.530 7.107 1.00 0.00 C ATOM 856 C THR A 59 5.700 1.488 7.430 1.00 0.00 C ATOM 857 O THR A 59 5.127 0.416 7.622 1.00 0.00 O ATOM 858 CB THR A 59 7.929 0.531 8.016 1.00 0.00 C ATOM 859 OG1 THR A 59 7.851 0.960 9.380 1.00 0.00 O ATOM 860 CG2 THR A 59 9.388 0.401 7.603 1.00 0.00 C ATOM 0 H THR A 59 7.513 3.318 8.152 1.00 0.00 H new ATOM 0 HA THR A 59 7.340 1.243 6.066 1.00 0.00 H new ATOM 0 HB THR A 59 7.451 -0.443 7.913 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.322 0.319 9.952 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.890 -0.310 8.259 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.445 0.047 6.574 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.876 1.373 7.680 1.00 0.00 H new ATOM 868 N SER A 60 5.079 2.662 7.489 1.00 0.00 N ATOM 869 CA SER A 60 3.656 2.759 7.793 1.00 0.00 C ATOM 870 C SER A 60 3.131 4.161 7.497 1.00 0.00 C ATOM 871 O SER A 60 3.768 5.159 7.838 1.00 0.00 O ATOM 872 CB SER A 60 3.400 2.405 9.259 1.00 0.00 C ATOM 873 OG SER A 60 4.236 3.161 10.119 1.00 0.00 O ATOM 0 H SER A 60 5.539 3.559 7.330 1.00 0.00 H new ATOM 0 HA SER A 60 3.125 2.050 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.355 2.593 9.505 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.578 1.341 9.416 1.00 0.00 H new ATOM 0 HG SER A 60 4.052 2.918 11.050 1.00 0.00 H new ATOM 879 N HIS A 61 1.966 4.228 6.861 1.00 0.00 N ATOM 880 CA HIS A 61 1.355 5.507 6.519 1.00 0.00 C ATOM 881 C HIS A 61 -0.155 5.463 6.737 1.00 0.00 C ATOM 882 O HIS A 61 -0.782 4.416 6.585 1.00 0.00 O ATOM 883 CB HIS A 61 1.661 5.871 5.066 1.00 0.00 C ATOM 884 CG HIS A 61 1.717 7.347 4.817 1.00 0.00 C ATOM 885 ND1 HIS A 61 0.989 7.971 3.826 1.00 0.00 N ATOM 886 CD2 HIS A 61 2.418 8.323 5.438 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.242 9.267 3.847 1.00 0.00 C ATOM 888 NE2 HIS A 61 2.106 9.507 4.816 1.00 0.00 N ATOM 0 H HIS A 61 1.426 3.412 6.572 1.00 0.00 H new ATOM 0 HA HIS A 61 1.778 6.270 7.173 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.615 5.427 4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.900 5.431 4.422 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.097 8.195 6.268 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.815 10.005 3.184 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.481 10.423 5.063 1.00 0.00 H new ATOM 897 N GLN A 62 -0.729 6.607 7.096 1.00 0.00 N ATOM 898 CA GLN A 62 -2.165 6.697 7.336 1.00 0.00 C ATOM 899 C GLN A 62 -2.879 7.316 6.139 1.00 0.00 C ATOM 900 O GLN A 62 -2.442 8.333 5.599 1.00 0.00 O ATOM 901 CB GLN A 62 -2.441 7.524 8.593 1.00 0.00 C ATOM 902 CG GLN A 62 -3.916 7.817 8.816 1.00 0.00 C ATOM 903 CD GLN A 62 -4.618 6.720 9.592 1.00 0.00 C ATOM 904 OE1 GLN A 62 -4.400 6.554 10.792 1.00 0.00 O ATOM 905 NE2 GLN A 62 -5.468 5.962 8.908 1.00 0.00 N ATOM 0 H GLN A 62 -0.223 7.483 7.227 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.548 5.687 7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.049 6.993 9.461 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.898 8.467 8.524 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.018 8.760 9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.407 7.946 7.851 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.619 6.134 7.914 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.970 5.208 9.377 1.00 0.00 H new ATOM 914 N LEU A 63 -3.980 6.695 5.729 1.00 0.00 N ATOM 915 CA LEU A 63 -4.756 7.185 4.594 1.00 0.00 C ATOM 916 C LEU A 63 -6.071 7.802 5.060 1.00 0.00 C ATOM 917 O LEU A 63 -6.898 7.133 5.680 1.00 0.00 O ATOM 918 CB LEU A 63 -5.034 6.045 3.612 1.00 0.00 C ATOM 919 CG LEU A 63 -3.849 5.589 2.760 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.179 4.293 2.037 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.458 6.673 1.766 1.00 0.00 C ATOM 0 H LEU A 63 -4.355 5.852 6.165 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.172 7.956 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.401 5.188 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.838 6.355 2.944 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.001 5.407 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.324 3.984 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.408 3.517 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.042 4.447 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.613 6.331 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.302 6.888 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.178 7.578 2.306 1.00 0.00 H new ATOM 933 N LEU A 64 -6.258 9.082 4.755 1.00 0.00 N ATOM 934 CA LEU A 64 -7.473 9.790 5.141 1.00 0.00 C ATOM 935 C LEU A 64 -8.378 10.016 3.933 1.00 0.00 C ATOM 936 O LEU A 64 -7.909 10.083 2.798 1.00 0.00 O ATOM 937 CB LEU A 64 -7.123 11.131 5.787 1.00 0.00 C ATOM 938 CG LEU A 64 -6.578 11.066 7.214 1.00 0.00 C ATOM 939 CD1 LEU A 64 -5.084 10.782 7.203 1.00 0.00 C ATOM 940 CD2 LEU A 64 -6.871 12.362 7.956 1.00 0.00 C ATOM 0 H LEU A 64 -5.584 9.650 4.242 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.008 9.174 5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.385 11.632 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.017 11.755 5.789 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.078 10.250 7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.714 10.739 8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.899 9.828 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.567 11.575 6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.476 12.298 8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.399 13.195 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.948 12.523 7.996 1.00 0.00 H new ATOM 952 N GLY A 65 -9.678 10.134 4.188 1.00 0.00 N ATOM 953 CA GLY A 65 -10.627 10.353 3.112 1.00 0.00 C ATOM 954 C GLY A 65 -11.008 9.068 2.404 1.00 0.00 C ATOM 955 O GLY A 65 -10.601 8.834 1.265 1.00 0.00 O ATOM 0 H GLY A 65 -10.090 10.082 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.525 10.823 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.199 11.049 2.390 1.00 0.00 H new ATOM 959 N LEU A 66 -11.788 8.231 3.079 1.00 0.00 N ATOM 960 CA LEU A 66 -12.223 6.961 2.508 1.00 0.00 C ATOM 961 C LEU A 66 -13.741 6.830 2.565 1.00 0.00 C ATOM 962 O LEU A 66 -14.439 7.747 2.998 1.00 0.00 O ATOM 963 CB LEU A 66 -11.570 5.795 3.252 1.00 0.00 C ATOM 964 CG LEU A 66 -10.043 5.817 3.326 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.533 4.661 4.173 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.440 5.763 1.930 1.00 0.00 C ATOM 0 H LEU A 66 -12.132 8.409 4.023 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.914 6.936 1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.963 5.773 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.877 4.866 2.772 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.735 6.750 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.444 4.693 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.937 4.743 5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.852 3.717 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.353 5.780 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.757 4.846 1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.778 6.624 1.354 1.00 0.00 H new ATOM 978 N PHE A 67 -14.247 5.682 2.127 1.00 0.00 N ATOM 979 CA PHE A 67 -15.684 5.429 2.130 1.00 0.00 C ATOM 980 C PHE A 67 -16.017 4.191 2.957 1.00 0.00 C ATOM 981 O PHE A 67 -15.211 3.270 3.095 1.00 0.00 O ATOM 982 CB PHE A 67 -16.194 5.252 0.698 1.00 0.00 C ATOM 983 CG PHE A 67 -16.070 6.492 -0.140 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.407 7.732 0.380 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.617 6.418 -1.447 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.294 8.875 -0.390 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.502 7.558 -2.221 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.840 8.788 -1.691 1.00 0.00 C ATOM 0 H PHE A 67 -13.684 4.912 1.766 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.178 6.289 2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.640 4.444 0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.240 4.947 0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.762 7.806 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.351 5.459 -1.866 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.561 9.835 0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -15.148 7.487 -3.239 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.749 9.680 -2.293 1.00 0.00 H new ATOM 998 N PRO A 68 -17.233 4.167 3.523 1.00 0.00 N ATOM 999 CA PRO A 68 -17.701 3.049 4.346 1.00 0.00 C ATOM 1000 C PRO A 68 -17.951 1.789 3.525 1.00 0.00 C ATOM 1001 O PRO A 68 -18.650 1.825 2.512 1.00 0.00 O ATOM 1002 CB PRO A 68 -19.013 3.570 4.939 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.484 4.598 3.970 1.00 0.00 C ATOM 1004 CD PRO A 68 -18.244 5.230 3.401 1.00 0.00 C ATOM 0 HA PRO A 68 -16.964 2.758 5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.743 2.768 5.052 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.857 4.000 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -20.087 4.145 3.183 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -20.110 5.342 4.463 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.387 5.532 2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.957 6.123 3.956 1.00 0.00 H new ATOM 1012 N SER A 69 -17.376 0.675 3.968 1.00 0.00 N ATOM 1013 CA SER A 69 -17.534 -0.596 3.271 1.00 0.00 C ATOM 1014 C SER A 69 -17.131 -0.466 1.806 1.00 0.00 C ATOM 1015 O SER A 69 -17.715 -1.104 0.929 1.00 0.00 O ATOM 1016 CB SER A 69 -18.981 -1.081 3.373 1.00 0.00 C ATOM 1017 OG SER A 69 -19.105 -2.417 2.916 1.00 0.00 O ATOM 0 H SER A 69 -16.797 0.627 4.806 1.00 0.00 H new ATOM 0 HA SER A 69 -16.879 -1.327 3.746 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.318 -1.015 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.628 -0.431 2.785 1.00 0.00 H new ATOM 0 HG SER A 69 -18.805 -2.473 1.985 1.00 0.00 H new ATOM 1023 N THR A 70 -16.126 0.365 1.546 1.00 0.00 N ATOM 1024 CA THR A 70 -15.644 0.581 0.188 1.00 0.00 C ATOM 1025 C THR A 70 -14.260 -0.027 -0.007 1.00 0.00 C ATOM 1026 O THR A 70 -13.303 0.356 0.666 1.00 0.00 O ATOM 1027 CB THR A 70 -15.587 2.081 -0.156 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.903 2.644 -0.114 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.981 2.298 -1.535 1.00 0.00 C ATOM 0 H THR A 70 -15.630 0.900 2.259 1.00 0.00 H new ATOM 0 HA THR A 70 -16.351 0.090 -0.480 1.00 0.00 H new ATOM 0 HB THR A 70 -14.957 2.576 0.582 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.300 2.483 0.768 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.951 3.365 -1.756 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.968 1.895 -1.555 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.589 1.790 -2.284 1.00 0.00 H new ATOM 1037 N SER A 71 -14.160 -0.975 -0.934 1.00 0.00 N ATOM 1038 CA SER A 71 -12.892 -1.638 -1.215 1.00 0.00 C ATOM 1039 C SER A 71 -11.916 -0.679 -1.891 1.00 0.00 C ATOM 1040 O SER A 71 -12.297 0.095 -2.770 1.00 0.00 O ATOM 1041 CB SER A 71 -13.119 -2.863 -2.103 1.00 0.00 C ATOM 1042 OG SER A 71 -11.961 -3.677 -2.154 1.00 0.00 O ATOM 0 H SER A 71 -14.942 -1.301 -1.503 1.00 0.00 H new ATOM 0 HA SER A 71 -12.460 -1.960 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.959 -3.443 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.386 -2.542 -3.110 1.00 0.00 H new ATOM 0 HG SER A 71 -12.132 -4.454 -2.726 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.656 -0.737 -1.474 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.625 0.127 -2.037 1.00 0.00 C ATOM 1050 C TYR A 72 -8.390 -0.680 -2.424 1.00 0.00 C ATOM 1051 O TYR A 72 -8.163 -1.774 -1.909 1.00 0.00 O ATOM 1052 CB TYR A 72 -9.242 1.218 -1.035 1.00 0.00 C ATOM 1053 CG TYR A 72 -10.241 2.350 -0.961 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -10.132 3.455 -1.796 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -11.296 2.314 -0.057 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -11.042 4.492 -1.731 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -12.212 3.346 0.014 1.00 0.00 C ATOM 1058 CZ TYR A 72 -12.080 4.433 -0.825 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.990 5.463 -0.758 1.00 0.00 O ATOM 0 H TYR A 72 -10.324 -1.373 -0.749 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.028 0.593 -2.936 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -9.138 0.771 -0.046 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.267 1.622 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.322 3.504 -2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.402 1.465 0.602 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.941 5.345 -2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -13.026 3.302 0.722 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.802 5.215 -1.248 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.594 -0.130 -3.335 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.380 -0.798 -3.793 1.00 0.00 C ATOM 1071 C ASN A 73 -5.167 0.114 -3.640 1.00 0.00 C ATOM 1072 O ASN A 73 -5.001 1.075 -4.391 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.529 -1.227 -5.254 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.376 -2.092 -5.723 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -5.179 -3.203 -5.232 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -4.606 -1.584 -6.679 1.00 0.00 N ATOM 0 H ASN A 73 -7.767 0.776 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.227 -1.683 -3.176 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.463 -1.775 -5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.595 -0.341 -5.885 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.814 -2.120 -7.035 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.807 -0.658 -7.057 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.321 -0.194 -2.663 1.00 0.00 N ATOM 1084 CA ALA A 74 -3.121 0.595 -2.413 1.00 0.00 C ATOM 1085 C ALA A 74 -1.895 -0.056 -3.043 1.00 0.00 C ATOM 1086 O ALA A 74 -1.709 -1.269 -2.952 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.914 0.780 -0.917 1.00 0.00 C ATOM 0 H ALA A 74 -4.444 -0.985 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.256 1.574 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.014 1.371 -0.744 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.775 1.296 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.804 -0.195 -0.442 1.00 0.00 H new ATOM 1093 N ARG A 75 -1.061 0.759 -3.682 1.00 0.00 N ATOM 1094 CA ARG A 75 0.147 0.261 -4.328 1.00 0.00 C ATOM 1095 C ARG A 75 1.384 0.975 -3.792 1.00 0.00 C ATOM 1096 O ARG A 75 1.410 2.203 -3.690 1.00 0.00 O ATOM 1097 CB ARG A 75 0.054 0.448 -5.844 1.00 0.00 C ATOM 1098 CG ARG A 75 1.312 0.032 -6.588 1.00 0.00 C ATOM 1099 CD ARG A 75 1.504 0.846 -7.857 1.00 0.00 C ATOM 1100 NE ARG A 75 2.266 2.068 -7.614 1.00 0.00 N ATOM 1101 CZ ARG A 75 2.488 2.993 -8.541 1.00 0.00 C ATOM 1102 NH1 ARG A 75 2.008 2.836 -9.767 1.00 0.00 N ATOM 1103 NH2 ARG A 75 3.190 4.079 -8.242 1.00 0.00 N ATOM 0 H ARG A 75 -1.200 1.766 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 75 0.237 -0.802 -4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.789 -0.130 -6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.156 1.496 -6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.178 0.159 -5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.254 -1.027 -6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.019 0.240 -8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.530 1.103 -8.274 1.00 0.00 H new ATOM 0 HE ARG A 75 2.649 2.219 -6.681 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.467 2.003 -10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.180 3.548 -10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.560 4.204 -7.300 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.360 4.789 -8.955 1.00 0.00 H new ATOM 1117 N LEU A 76 2.407 0.200 -3.451 1.00 0.00 N ATOM 1118 CA LEU A 76 3.648 0.758 -2.925 1.00 0.00 C ATOM 1119 C LEU A 76 4.796 0.558 -3.909 1.00 0.00 C ATOM 1120 O LEU A 76 5.168 -0.572 -4.222 1.00 0.00 O ATOM 1121 CB LEU A 76 3.994 0.109 -1.583 1.00 0.00 C ATOM 1122 CG LEU A 76 5.115 0.774 -0.785 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.584 1.974 -0.016 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.761 -0.226 0.163 1.00 0.00 C ATOM 0 H LEU A 76 2.402 -0.817 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 76 3.502 1.828 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.095 0.095 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.272 -0.929 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 76 5.874 1.124 -1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.396 2.434 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.170 2.700 -0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.805 1.649 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.557 0.265 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.011 -0.607 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.178 -1.054 -0.410 1.00 0.00 H new ATOM 1136 N GLN A 77 5.353 1.664 -4.392 1.00 0.00 N ATOM 1137 CA GLN A 77 6.460 1.610 -5.340 1.00 0.00 C ATOM 1138 C GLN A 77 7.572 2.571 -4.935 1.00 0.00 C ATOM 1139 O GLN A 77 7.367 3.783 -4.877 1.00 0.00 O ATOM 1140 CB GLN A 77 5.969 1.944 -6.750 1.00 0.00 C ATOM 1141 CG GLN A 77 6.747 1.239 -7.849 1.00 0.00 C ATOM 1142 CD GLN A 77 6.096 1.384 -9.210 1.00 0.00 C ATOM 1143 OE1 GLN A 77 4.991 1.915 -9.329 1.00 0.00 O ATOM 1144 NE2 GLN A 77 6.778 0.911 -10.247 1.00 0.00 N ATOM 0 H GLN A 77 5.056 2.608 -4.143 1.00 0.00 H new ATOM 0 HA GLN A 77 6.861 0.597 -5.333 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.916 1.675 -6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 77 6.036 3.021 -6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.758 1.643 -7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.836 0.181 -7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.690 0.479 -10.103 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.389 0.980 -11.187 1.00 0.00 H new ATOM 1153 N ALA A 78 8.749 2.022 -4.655 1.00 0.00 N ATOM 1154 CA ALA A 78 9.894 2.832 -4.257 1.00 0.00 C ATOM 1155 C ALA A 78 10.746 3.210 -5.464 1.00 0.00 C ATOM 1156 O ALA A 78 10.877 2.435 -6.410 1.00 0.00 O ATOM 1157 CB ALA A 78 10.734 2.089 -3.228 1.00 0.00 C ATOM 0 H ALA A 78 8.935 1.020 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 78 9.518 3.752 -3.808 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.585 2.705 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.127 1.875 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.092 1.154 -3.658 1.00 0.00 H new ATOM 1163 N MET A 79 11.322 4.407 -5.424 1.00 0.00 N ATOM 1164 CA MET A 79 12.162 4.887 -6.515 1.00 0.00 C ATOM 1165 C MET A 79 13.611 4.453 -6.318 1.00 0.00 C ATOM 1166 O MET A 79 14.223 4.748 -5.291 1.00 0.00 O ATOM 1167 CB MET A 79 12.084 6.412 -6.614 1.00 0.00 C ATOM 1168 CG MET A 79 10.672 6.958 -6.476 1.00 0.00 C ATOM 1169 SD MET A 79 10.579 8.731 -6.792 1.00 0.00 S ATOM 1170 CE MET A 79 9.948 9.322 -5.223 1.00 0.00 C ATOM 0 H MET A 79 11.223 5.062 -4.648 1.00 0.00 H new ATOM 0 HA MET A 79 11.793 4.450 -7.443 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.712 6.851 -5.839 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.495 6.727 -7.573 1.00 0.00 H new ATOM 0 HG2 MET A 79 10.015 6.434 -7.170 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.304 6.752 -5.471 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.384 10.295 -4.999 1.00 0.00 H new ATOM 0 HE2 MET A 79 8.863 9.415 -5.279 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.212 8.616 -4.436 1.00 0.00 H new ATOM 1180 N TRP A 80 14.153 3.750 -7.306 1.00 0.00 N ATOM 1181 CA TRP A 80 15.530 3.275 -7.240 1.00 0.00 C ATOM 1182 C TRP A 80 16.354 3.834 -8.395 1.00 0.00 C ATOM 1183 O TRP A 80 15.809 4.235 -9.422 1.00 0.00 O ATOM 1184 CB TRP A 80 15.565 1.746 -7.265 1.00 0.00 C ATOM 1185 CG TRP A 80 15.353 1.125 -5.918 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.305 0.883 -4.968 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.112 0.666 -5.371 1.00 0.00 C ATOM 1188 NE1 TRP A 80 15.729 0.301 -3.864 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.385 0.158 -4.086 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.796 0.637 -5.841 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.391 -0.373 -3.269 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 11.810 0.110 -5.029 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.111 -0.389 -3.755 1.00 0.00 C ATOM 0 H TRP A 80 13.660 3.496 -8.162 1.00 0.00 H new ATOM 0 HA TRP A 80 15.965 3.626 -6.304 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.798 1.383 -7.949 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.526 1.418 -7.661 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.355 1.115 -5.070 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.223 0.021 -3.016 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.554 1.020 -6.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 13.621 -0.759 -2.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 10.790 0.082 -5.382 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.318 -0.794 -3.144 1.00 0.00 H new ATOM 1204 N GLY A 81 17.672 3.856 -8.219 1.00 0.00 N ATOM 1205 CA GLY A 81 18.550 4.368 -9.255 1.00 0.00 C ATOM 1206 C GLY A 81 18.144 3.904 -10.640 1.00 0.00 C ATOM 1207 O GLY A 81 18.163 2.708 -10.931 1.00 0.00 O ATOM 0 H GLY A 81 18.147 3.529 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.546 5.458 -9.224 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.572 4.047 -9.053 1.00 0.00 H new ATOM 1211 N GLN A 82 17.775 4.852 -11.496 1.00 0.00 N ATOM 1212 CA GLN A 82 17.361 4.532 -12.857 1.00 0.00 C ATOM 1213 C GLN A 82 16.624 3.198 -12.902 1.00 0.00 C ATOM 1214 O GLN A 82 16.869 2.372 -13.782 1.00 0.00 O ATOM 1215 CB GLN A 82 18.575 4.490 -13.786 1.00 0.00 C ATOM 1216 CG GLN A 82 18.248 4.827 -15.231 1.00 0.00 C ATOM 1217 CD GLN A 82 18.042 6.312 -15.452 1.00 0.00 C ATOM 1218 OE1 GLN A 82 16.943 6.834 -15.263 1.00 0.00 O ATOM 1219 NE2 GLN A 82 19.102 7.003 -15.856 1.00 0.00 N ATOM 0 H GLN A 82 17.754 5.847 -11.271 1.00 0.00 H new ATOM 0 HA GLN A 82 16.681 5.313 -13.196 1.00 0.00 H new ATOM 0 HB2 GLN A 82 19.326 5.190 -13.420 1.00 0.00 H new ATOM 0 HB3 GLN A 82 19.019 3.495 -13.745 1.00 0.00 H new ATOM 0 HG2 GLN A 82 19.056 4.477 -15.873 1.00 0.00 H new ATOM 0 HG3 GLN A 82 17.347 4.291 -15.530 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.994 6.530 -16.000 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.024 8.006 -16.022 1.00 0.00 H new ATOM 1228 N SER A 83 15.721 2.993 -11.949 1.00 0.00 N ATOM 1229 CA SER A 83 14.951 1.757 -11.878 1.00 0.00 C ATOM 1230 C SER A 83 13.694 1.947 -11.034 1.00 0.00 C ATOM 1231 O SER A 83 13.661 2.780 -10.127 1.00 0.00 O ATOM 1232 CB SER A 83 15.806 0.631 -11.293 1.00 0.00 C ATOM 1233 OG SER A 83 16.720 0.133 -12.255 1.00 0.00 O ATOM 0 H SER A 83 15.504 3.667 -11.215 1.00 0.00 H new ATOM 0 HA SER A 83 14.651 1.487 -12.890 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.352 0.998 -10.424 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.162 -0.177 -10.946 1.00 0.00 H new ATOM 0 HG SER A 83 16.904 0.827 -12.921 1.00 0.00 H new ATOM 1239 N LEU A 84 12.661 1.169 -11.339 1.00 0.00 N ATOM 1240 CA LEU A 84 11.401 1.250 -10.609 1.00 0.00 C ATOM 1241 C LEU A 84 10.915 -0.138 -10.205 1.00 0.00 C ATOM 1242 O LEU A 84 9.959 -0.664 -10.775 1.00 0.00 O ATOM 1243 CB LEU A 84 10.339 1.946 -11.462 1.00 0.00 C ATOM 1244 CG LEU A 84 10.559 3.436 -11.724 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.544 3.957 -12.730 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.477 4.224 -10.424 1.00 0.00 C ATOM 0 H LEU A 84 12.671 0.475 -12.087 1.00 0.00 H new ATOM 0 HA LEU A 84 11.571 1.833 -9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.280 1.434 -12.422 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.372 1.822 -10.975 1.00 0.00 H new ATOM 0 HG LEU A 84 11.556 3.568 -12.144 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.716 5.019 -12.904 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.650 3.414 -13.669 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.537 3.812 -12.339 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.636 5.283 -10.630 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.493 4.085 -9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.243 3.869 -9.735 1.00 0.00 H new ATOM 1258 N LEU A 85 11.579 -0.727 -9.216 1.00 0.00 N ATOM 1259 CA LEU A 85 11.214 -2.054 -8.733 1.00 0.00 C ATOM 1260 C LEU A 85 9.702 -2.251 -8.772 1.00 0.00 C ATOM 1261 O LEU A 85 8.925 -1.298 -8.696 1.00 0.00 O ATOM 1262 CB LEU A 85 11.730 -2.259 -7.307 1.00 0.00 C ATOM 1263 CG LEU A 85 13.248 -2.212 -7.130 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.624 -2.475 -5.680 1.00 0.00 C ATOM 1265 CD2 LEU A 85 13.924 -3.219 -8.049 1.00 0.00 C ATOM 0 H LEU A 85 12.373 -0.306 -8.733 1.00 0.00 H new ATOM 0 HA LEU A 85 11.675 -2.792 -9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.286 -1.496 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.372 -3.224 -6.947 1.00 0.00 H new ATOM 0 HG LEU A 85 13.595 -1.215 -7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.708 -2.438 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.170 -1.716 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.264 -3.460 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.004 -3.171 -7.909 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.571 -4.223 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.682 -2.985 -9.086 1.00 0.00 H new ATOM 1277 N PRO A 86 9.272 -3.516 -8.890 1.00 0.00 N ATOM 1278 CA PRO A 86 7.850 -3.868 -8.939 1.00 0.00 C ATOM 1279 C PRO A 86 7.154 -3.654 -7.600 1.00 0.00 C ATOM 1280 O PRO A 86 7.483 -4.283 -6.594 1.00 0.00 O ATOM 1281 CB PRO A 86 7.865 -5.354 -9.303 1.00 0.00 C ATOM 1282 CG PRO A 86 9.186 -5.849 -8.822 1.00 0.00 C ATOM 1283 CD PRO A 86 10.142 -4.700 -8.986 1.00 0.00 C ATOM 0 HA PRO A 86 7.300 -3.248 -9.647 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.044 -5.887 -8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.755 -5.499 -10.378 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.129 -6.164 -7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.513 -6.714 -9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.907 -4.700 -8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.660 -4.742 -9.944 1.00 0.00 H new ATOM 1291 N PRO A 87 6.167 -2.745 -7.583 1.00 0.00 N ATOM 1292 CA PRO A 87 5.403 -2.428 -6.373 1.00 0.00 C ATOM 1293 C PRO A 87 4.489 -3.572 -5.948 1.00 0.00 C ATOM 1294 O PRO A 87 4.289 -4.530 -6.695 1.00 0.00 O ATOM 1295 CB PRO A 87 4.577 -1.207 -6.785 1.00 0.00 C ATOM 1296 CG PRO A 87 4.447 -1.319 -8.265 1.00 0.00 C ATOM 1297 CD PRO A 87 5.722 -1.957 -8.745 1.00 0.00 C ATOM 0 HA PRO A 87 6.052 -2.251 -5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.601 -1.208 -6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.073 -0.279 -6.500 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.582 -1.924 -8.536 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.306 -0.339 -8.720 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.552 -2.588 -9.617 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.462 -1.210 -9.031 1.00 0.00 H new ATOM 1305 N VAL A 88 3.936 -3.466 -4.744 1.00 0.00 N ATOM 1306 CA VAL A 88 3.041 -4.491 -4.221 1.00 0.00 C ATOM 1307 C VAL A 88 1.625 -3.952 -4.054 1.00 0.00 C ATOM 1308 O VAL A 88 1.391 -3.020 -3.285 1.00 0.00 O ATOM 1309 CB VAL A 88 3.536 -5.029 -2.865 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.469 -6.214 -3.069 1.00 0.00 C ATOM 1311 CG2 VAL A 88 4.226 -3.928 -2.075 1.00 0.00 C ATOM 0 H VAL A 88 4.092 -2.680 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 88 3.034 -5.304 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 88 2.673 -5.370 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.809 -6.581 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.938 -7.009 -3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.330 -5.902 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.569 -4.326 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 88 5.080 -3.555 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.524 -3.113 -1.897 1.00 0.00 H new ATOM 1321 N SER A 89 0.683 -4.544 -4.781 1.00 0.00 N ATOM 1322 CA SER A 89 -0.711 -4.121 -4.717 1.00 0.00 C ATOM 1323 C SER A 89 -1.515 -5.036 -3.797 1.00 0.00 C ATOM 1324 O SER A 89 -1.446 -6.261 -3.905 1.00 0.00 O ATOM 1325 CB SER A 89 -1.330 -4.115 -6.116 1.00 0.00 C ATOM 1326 OG SER A 89 -1.581 -5.435 -6.568 1.00 0.00 O ATOM 0 H SER A 89 0.860 -5.318 -5.421 1.00 0.00 H new ATOM 0 HA SER A 89 -0.739 -3.110 -4.311 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.261 -3.548 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.660 -3.610 -6.812 1.00 0.00 H new ATOM 0 HG SER A 89 -1.978 -5.404 -7.463 1.00 0.00 H new ATOM 1332 N THR A 90 -2.277 -4.432 -2.891 1.00 0.00 N ATOM 1333 CA THR A 90 -3.093 -5.190 -1.951 1.00 0.00 C ATOM 1334 C THR A 90 -4.491 -4.595 -1.832 1.00 0.00 C ATOM 1335 O THR A 90 -4.674 -3.384 -1.958 1.00 0.00 O ATOM 1336 CB THR A 90 -2.446 -5.235 -0.554 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.215 -6.074 0.316 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.344 -3.838 0.040 1.00 0.00 C ATOM 0 H THR A 90 -2.346 -3.420 -2.788 1.00 0.00 H new ATOM 0 HA THR A 90 -3.165 -6.205 -2.343 1.00 0.00 H new ATOM 0 HB THR A 90 -1.441 -5.644 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.796 -6.098 1.202 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.884 -3.895 1.027 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.734 -3.210 -0.609 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.341 -3.407 0.129 1.00 0.00 H new ATOM 1346 N SER A 91 -5.476 -5.453 -1.587 1.00 0.00 N ATOM 1347 CA SER A 91 -6.860 -5.012 -1.454 1.00 0.00 C ATOM 1348 C SER A 91 -7.309 -5.066 0.003 1.00 0.00 C ATOM 1349 O SER A 91 -6.951 -5.983 0.742 1.00 0.00 O ATOM 1350 CB SER A 91 -7.779 -5.879 -2.316 1.00 0.00 C ATOM 1351 OG SER A 91 -7.639 -5.562 -3.690 1.00 0.00 O ATOM 0 H SER A 91 -5.341 -6.458 -1.476 1.00 0.00 H new ATOM 0 HA SER A 91 -6.921 -3.979 -1.797 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.545 -6.932 -2.157 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.815 -5.733 -2.010 1.00 0.00 H new ATOM 0 HG SER A 91 -8.236 -6.131 -4.219 1.00 0.00 H new ATOM 1357 N PHE A 92 -8.098 -4.076 0.409 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.597 -4.009 1.778 1.00 0.00 C ATOM 1359 C PHE A 92 -9.948 -3.302 1.830 1.00 0.00 C ATOM 1360 O PHE A 92 -10.161 -2.293 1.157 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.592 -3.282 2.674 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.454 -1.820 2.355 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -8.399 -0.908 2.797 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -6.377 -1.358 1.615 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -8.274 0.436 2.504 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -6.247 -0.014 1.320 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.196 0.884 1.766 1.00 0.00 C ATOM 0 H PHE A 92 -8.405 -3.310 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.726 -5.028 2.142 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.899 -3.392 3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.618 -3.761 2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.243 -1.252 3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.631 -2.056 1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.019 1.136 2.852 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.404 0.333 0.741 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.096 1.935 1.538 1.00 0.00 H new ATOM 1377 N THR A 93 -10.859 -3.839 2.635 1.00 0.00 N ATOM 1378 CA THR A 93 -12.190 -3.262 2.775 1.00 0.00 C ATOM 1379 C THR A 93 -12.337 -2.534 4.106 1.00 0.00 C ATOM 1380 O THR A 93 -11.914 -3.034 5.149 1.00 0.00 O ATOM 1381 CB THR A 93 -13.284 -4.342 2.670 1.00 0.00 C ATOM 1382 OG1 THR A 93 -13.056 -5.160 1.517 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.664 -3.707 2.583 1.00 0.00 C ATOM 0 H THR A 93 -10.699 -4.673 3.200 1.00 0.00 H new ATOM 0 HA THR A 93 -12.313 -2.550 1.959 1.00 0.00 H new ATOM 0 HB THR A 93 -13.241 -4.960 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.755 -5.845 1.458 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.420 -4.489 2.510 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.846 -3.109 3.476 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.716 -3.068 1.701 1.00 0.00 H new ATOM 1391 N THR A 94 -12.940 -1.350 4.064 1.00 0.00 N ATOM 1392 CA THR A 94 -13.142 -0.552 5.267 1.00 0.00 C ATOM 1393 C THR A 94 -14.411 -0.972 5.998 1.00 0.00 C ATOM 1394 O THR A 94 -15.360 -1.459 5.385 1.00 0.00 O ATOM 1395 CB THR A 94 -13.226 0.950 4.937 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.332 1.198 4.063 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.939 1.434 4.286 1.00 0.00 C ATOM 0 H THR A 94 -13.297 -0.922 3.210 1.00 0.00 H new ATOM 0 HA THR A 94 -12.280 -0.727 5.911 1.00 0.00 H new ATOM 0 HB THR A 94 -13.370 1.497 5.869 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.240 2.088 3.664 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.022 2.498 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.103 1.271 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.768 0.881 3.362 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.422 -0.780 7.314 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.582 -1.144 8.107 1.00 0.00 C ATOM 1407 C GLY A 95 -16.795 -0.296 7.784 1.00 0.00 C ATOM 1408 O GLY A 95 -16.928 0.211 6.671 1.00 0.00 O ATOM 0 H GLY A 95 -13.649 -0.379 7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.820 -2.194 7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.342 -1.041 9.165 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.685 -0.142 8.759 1.00 0.00 N ATOM 1413 CA GLY A 96 -18.884 0.650 8.552 1.00 0.00 C ATOM 1414 C GLY A 96 -19.044 1.742 9.591 1.00 0.00 C ATOM 1415 O GLY A 96 -18.606 1.592 10.733 1.00 0.00 O ATOM 0 H GLY A 96 -17.598 -0.552 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.852 1.099 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.756 -0.003 8.579 1.00 0.00 H new ATOM 1419 N LEU A 97 -19.672 2.844 9.197 1.00 0.00 N ATOM 1420 CA LEU A 97 -19.888 3.968 10.102 1.00 0.00 C ATOM 1421 C LEU A 97 -20.757 3.554 11.286 1.00 0.00 C ATOM 1422 O LEU A 97 -21.979 3.464 11.169 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.542 5.131 9.356 1.00 0.00 C ATOM 1424 CG LEU A 97 -19.663 5.852 8.333 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -20.496 6.808 7.493 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.534 6.596 9.030 1.00 0.00 C ATOM 0 H LEU A 97 -20.041 2.984 8.256 1.00 0.00 H new ATOM 0 HA LEU A 97 -18.918 4.289 10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.428 4.755 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -20.884 5.861 10.090 1.00 0.00 H new ATOM 0 HG LEU A 97 -19.224 5.106 7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.854 7.312 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -21.268 6.249 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.964 7.549 8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -17.919 7.103 8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -18.953 7.331 9.717 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.920 5.887 9.586 1.00 0.00 H new