USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=20 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 59 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 150:sc= -1.54 USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.291 X(o=-0.14,f=-0.006) USER MOD Set 2.2: A 49 THR OG1 : rot 27:sc= 0.153 USER MOD Set 3.1: A 20 THR OG1 : rot 31:sc= 1.11 USER MOD Set 3.2: A 23 THR OG1 : rot 1:sc= 0.243 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 150:sc= 0 USER MOD Single : A 29 THR OG1 : rot -169:sc= -0.955 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -150:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.847 USER MOD Single : A 50 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.7!) USER MOD Single : A 61 HIS : no HD1:sc= -4.9! C(o=-4.9!,f=-5.1!) USER MOD Single : A 62 GLN : amide:sc= -0.933 K(o=-0.93,f=-0.25) USER MOD Single : A 69 SER OG : rot -44:sc= 0.474 USER MOD Single : A 70 THR OG1 : rot -140:sc= -1.21 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 102:sc= 0.56 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.0937 K(o=-0.094,f=-0.71) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 14:sc= 0.513 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 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -166:sc= 1.88 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 16.497 -5.553 -2.668 1.00 0.00 N ATOM 86 CA GLU A 9 15.227 -6.266 -2.592 1.00 0.00 C ATOM 87 C GLU A 9 14.056 -5.288 -2.544 1.00 0.00 C ATOM 88 O GLU A 9 14.249 -4.075 -2.487 1.00 0.00 O ATOM 89 CB GLU A 9 15.198 -7.174 -1.361 1.00 0.00 C ATOM 90 CG GLU A 9 16.277 -8.244 -1.368 1.00 0.00 C ATOM 91 CD GLU A 9 16.350 -9.009 -0.061 1.00 0.00 C ATOM 92 OE1 GLU A 9 15.321 -9.075 0.644 1.00 0.00 O ATOM 93 OE2 GLU A 9 17.434 -9.540 0.257 1.00 0.00 O ATOM 0 HA GLU A 9 15.130 -6.879 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.311 -6.562 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.222 -7.655 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.085 -8.942 -2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.243 -7.779 -1.567 1.00 0.00 H new ATOM 100 N ALA A 10 12.841 -5.827 -2.567 1.00 0.00 N ATOM 101 CA ALA A 10 11.639 -5.004 -2.525 1.00 0.00 C ATOM 102 C ALA A 10 10.885 -5.201 -1.214 1.00 0.00 C ATOM 103 O ALA A 10 11.155 -6.126 -0.448 1.00 0.00 O ATOM 104 CB ALA A 10 10.738 -5.325 -3.708 1.00 0.00 C ATOM 0 H ALA A 10 12.664 -6.830 -2.615 1.00 0.00 H new ATOM 0 HA ALA A 10 11.942 -3.959 -2.586 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.844 -4.703 -3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.273 -5.127 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.451 -6.376 -3.672 1.00 0.00 H new ATOM 110 N PRO A 11 9.918 -4.311 -0.948 1.00 0.00 N ATOM 111 CA PRO A 11 9.105 -4.366 0.271 1.00 0.00 C ATOM 112 C PRO A 11 8.149 -5.554 0.277 1.00 0.00 C ATOM 113 O PRO A 11 7.536 -5.875 -0.741 1.00 0.00 O ATOM 114 CB PRO A 11 8.323 -3.050 0.235 1.00 0.00 C ATOM 115 CG PRO A 11 8.260 -2.686 -1.208 1.00 0.00 C ATOM 116 CD PRO A 11 9.542 -3.183 -1.817 1.00 0.00 C ATOM 0 HA PRO A 11 9.717 -4.490 1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 11 7.325 -3.171 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 11 8.823 -2.276 0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.396 -3.145 -1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.160 -1.608 -1.335 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.399 -3.502 -2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.309 -2.409 -1.825 1.00 0.00 H new ATOM 124 N ARG A 12 8.027 -6.203 1.430 1.00 0.00 N ATOM 125 CA ARG A 12 7.146 -7.356 1.568 1.00 0.00 C ATOM 126 C ARG A 12 6.302 -7.248 2.835 1.00 0.00 C ATOM 127 O ARG A 12 6.461 -6.313 3.620 1.00 0.00 O ATOM 128 CB ARG A 12 7.964 -8.649 1.597 1.00 0.00 C ATOM 129 CG ARG A 12 8.916 -8.741 2.777 1.00 0.00 C ATOM 130 CD ARG A 12 9.230 -10.187 3.129 1.00 0.00 C ATOM 131 NE ARG A 12 10.061 -10.829 2.114 1.00 0.00 N ATOM 132 CZ ARG A 12 11.386 -10.737 2.083 1.00 0.00 C ATOM 133 NH1 ARG A 12 12.026 -10.034 3.006 1.00 0.00 N ATOM 134 NH2 ARG A 12 12.072 -11.350 1.127 1.00 0.00 N ATOM 0 H ARG A 12 8.527 -5.950 2.282 1.00 0.00 H new ATOM 0 HA ARG A 12 6.478 -7.375 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.283 -9.499 1.624 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.536 -8.728 0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.841 -8.214 2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.476 -8.243 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.740 -10.223 4.091 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.299 -10.743 3.241 1.00 0.00 H new ATOM 0 HE ARG A 12 9.599 -11.378 1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.501 -9.562 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.043 -9.965 2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.582 -11.892 0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.089 -11.279 1.104 1.00 0.00 H new ATOM 148 N ASP A 13 5.406 -8.209 3.027 1.00 0.00 N ATOM 149 CA ASP A 13 4.537 -8.222 4.198 1.00 0.00 C ATOM 150 C ASP A 13 3.661 -6.973 4.239 1.00 0.00 C ATOM 151 O ASP A 13 3.572 -6.298 5.265 1.00 0.00 O ATOM 152 CB ASP A 13 5.371 -8.318 5.477 1.00 0.00 C ATOM 153 CG ASP A 13 6.115 -9.634 5.585 1.00 0.00 C ATOM 154 OD1 ASP A 13 5.673 -10.619 4.958 1.00 0.00 O ATOM 155 OD2 ASP A 13 7.139 -9.679 6.298 1.00 0.00 O ATOM 0 H ASP A 13 5.262 -8.990 2.387 1.00 0.00 H new ATOM 0 HA ASP A 13 3.889 -9.096 4.130 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.087 -7.496 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.719 -8.201 6.342 1.00 0.00 H new ATOM 160 N LEU A 14 3.018 -6.671 3.117 1.00 0.00 N ATOM 161 CA LEU A 14 2.149 -5.503 3.024 1.00 0.00 C ATOM 162 C LEU A 14 0.707 -5.868 3.362 1.00 0.00 C ATOM 163 O LEU A 14 0.001 -6.463 2.549 1.00 0.00 O ATOM 164 CB LEU A 14 2.219 -4.902 1.619 1.00 0.00 C ATOM 165 CG LEU A 14 1.186 -3.821 1.299 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.653 -2.467 1.812 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.920 -3.763 -0.198 1.00 0.00 C ATOM 0 H LEU A 14 3.082 -7.219 2.259 1.00 0.00 H new ATOM 0 HA LEU A 14 2.496 -4.764 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.214 -4.480 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.107 -5.709 0.895 1.00 0.00 H new ATOM 0 HG LEU A 14 0.254 -4.076 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.905 -1.710 1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.791 -2.515 2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.598 -2.204 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.182 -2.988 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.847 -3.533 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.540 -4.727 -0.538 1.00 0.00 H new ATOM 179 N GLU A 15 0.277 -5.504 4.566 1.00 0.00 N ATOM 180 CA GLU A 15 -1.082 -5.792 5.011 1.00 0.00 C ATOM 181 C GLU A 15 -1.739 -4.545 5.594 1.00 0.00 C ATOM 182 O GLU A 15 -1.070 -3.692 6.176 1.00 0.00 O ATOM 183 CB GLU A 15 -1.074 -6.913 6.052 1.00 0.00 C ATOM 184 CG GLU A 15 -2.460 -7.300 6.539 1.00 0.00 C ATOM 185 CD GLU A 15 -3.155 -8.274 5.608 1.00 0.00 C ATOM 186 OE1 GLU A 15 -2.820 -8.284 4.404 1.00 0.00 O ATOM 187 OE2 GLU A 15 -4.033 -9.026 6.081 1.00 0.00 O ATOM 0 H GLU A 15 0.849 -5.010 5.250 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.660 -6.115 4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.590 -7.791 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.472 -6.601 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.381 -7.745 7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.069 -6.402 6.640 1.00 0.00 H new ATOM 194 N ALA A 16 -3.055 -4.446 5.432 1.00 0.00 N ATOM 195 CA ALA A 16 -3.804 -3.305 5.943 1.00 0.00 C ATOM 196 C ALA A 16 -4.105 -3.467 7.429 1.00 0.00 C ATOM 197 O ALA A 16 -4.635 -4.493 7.858 1.00 0.00 O ATOM 198 CB ALA A 16 -5.094 -3.126 5.158 1.00 0.00 C ATOM 0 H ALA A 16 -3.624 -5.143 4.951 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.189 -2.413 5.819 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.643 -2.270 5.551 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.860 -2.956 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.705 -4.024 5.253 1.00 0.00 H new ATOM 204 N LYS A 17 -3.764 -2.449 8.212 1.00 0.00 N ATOM 205 CA LYS A 17 -3.998 -2.478 9.651 1.00 0.00 C ATOM 206 C LYS A 17 -4.837 -1.282 10.090 1.00 0.00 C ATOM 207 O LYS A 17 -5.001 -0.320 9.341 1.00 0.00 O ATOM 208 CB LYS A 17 -2.666 -2.484 10.405 1.00 0.00 C ATOM 209 CG LYS A 17 -1.801 -3.694 10.101 1.00 0.00 C ATOM 210 CD LYS A 17 -0.739 -3.902 11.168 1.00 0.00 C ATOM 211 CE LYS A 17 -0.076 -5.265 11.036 1.00 0.00 C ATOM 212 NZ LYS A 17 0.920 -5.504 12.118 1.00 0.00 N ATOM 0 H LYS A 17 -3.324 -1.593 7.874 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.546 -3.390 9.886 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.112 -1.579 10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.864 -2.449 11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.428 -4.583 10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.322 -3.566 9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.016 -3.120 11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.191 -3.810 12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.838 -6.044 11.065 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.417 -5.337 10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.350 -6.443 11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.661 -4.776 12.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.445 -5.461 13.042 1.00 0.00 H new ATOM 226 N GLU A 18 -5.365 -1.350 11.308 1.00 0.00 N ATOM 227 CA GLU A 18 -6.187 -0.272 11.845 1.00 0.00 C ATOM 228 C GLU A 18 -7.184 0.224 10.801 1.00 0.00 C ATOM 229 O GLU A 18 -7.449 1.422 10.700 1.00 0.00 O ATOM 230 CB GLU A 18 -5.305 0.886 12.314 1.00 0.00 C ATOM 231 CG GLU A 18 -4.251 0.476 13.329 1.00 0.00 C ATOM 232 CD GLU A 18 -4.841 0.176 14.694 1.00 0.00 C ATOM 233 OE1 GLU A 18 -5.425 -0.914 14.861 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.717 1.033 15.594 1.00 0.00 O ATOM 0 H GLU A 18 -5.238 -2.140 11.941 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.744 -0.664 12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.811 1.329 11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.937 1.659 12.751 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.723 -0.405 12.964 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.513 1.273 13.423 1.00 0.00 H new ATOM 241 N VAL A 19 -7.732 -0.706 10.026 1.00 0.00 N ATOM 242 CA VAL A 19 -8.700 -0.365 8.990 1.00 0.00 C ATOM 243 C VAL A 19 -9.988 0.178 9.598 1.00 0.00 C ATOM 244 O VAL A 19 -10.591 -0.453 10.467 1.00 0.00 O ATOM 245 CB VAL A 19 -9.034 -1.584 8.110 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.095 -1.226 7.081 1.00 0.00 C ATOM 247 CG2 VAL A 19 -7.778 -2.111 7.432 1.00 0.00 C ATOM 0 H VAL A 19 -7.522 -1.702 10.096 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.241 0.406 8.370 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.433 -2.372 8.748 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.318 -2.100 6.469 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.001 -0.900 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.728 -0.421 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.032 -2.972 6.814 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.347 -1.330 6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.053 -2.409 8.190 1.00 0.00 H new ATOM 257 N THR A 20 -10.406 1.352 9.136 1.00 0.00 N ATOM 258 CA THR A 20 -11.623 1.980 9.634 1.00 0.00 C ATOM 259 C THR A 20 -12.352 2.726 8.522 1.00 0.00 C ATOM 260 O THR A 20 -11.769 3.091 7.501 1.00 0.00 O ATOM 261 CB THR A 20 -11.318 2.963 10.781 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.012 3.524 10.611 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.404 2.263 12.129 1.00 0.00 C ATOM 0 H THR A 20 -9.919 1.887 8.417 1.00 0.00 H new ATOM 0 HA THR A 20 -12.261 1.180 10.010 1.00 0.00 H new ATOM 0 HB THR A 20 -12.061 3.760 10.755 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.805 3.588 9.655 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.185 2.976 12.924 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.408 1.862 12.267 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.680 1.448 12.163 1.00 0.00 H new ATOM 271 N PRO A 21 -13.657 2.959 8.722 1.00 0.00 N ATOM 272 CA PRO A 21 -14.494 3.665 7.747 1.00 0.00 C ATOM 273 C PRO A 21 -14.145 5.145 7.647 1.00 0.00 C ATOM 274 O PRO A 21 -14.781 5.895 6.906 1.00 0.00 O ATOM 275 CB PRO A 21 -15.910 3.486 8.300 1.00 0.00 C ATOM 276 CG PRO A 21 -15.723 3.282 9.763 1.00 0.00 C ATOM 277 CD PRO A 21 -14.417 2.553 9.916 1.00 0.00 C ATOM 0 HA PRO A 21 -14.363 3.274 6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.527 4.361 8.098 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.409 2.632 7.842 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.702 4.236 10.290 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.545 2.703 10.184 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.904 2.837 10.835 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.561 1.473 9.952 1.00 0.00 H new ATOM 285 N ARG A 22 -13.129 5.561 8.397 1.00 0.00 N ATOM 286 CA ARG A 22 -12.696 6.953 8.393 1.00 0.00 C ATOM 287 C ARG A 22 -11.240 7.068 7.951 1.00 0.00 C ATOM 288 O ARG A 22 -10.833 8.076 7.373 1.00 0.00 O ATOM 289 CB ARG A 22 -12.867 7.567 9.784 1.00 0.00 C ATOM 290 CG ARG A 22 -14.270 8.087 10.052 1.00 0.00 C ATOM 291 CD ARG A 22 -14.280 9.108 11.179 1.00 0.00 C ATOM 292 NE ARG A 22 -13.931 10.446 10.708 1.00 0.00 N ATOM 293 CZ ARG A 22 -14.802 11.280 10.153 1.00 0.00 C ATOM 294 NH1 ARG A 22 -16.068 10.917 10.001 1.00 0.00 N ATOM 295 NH2 ARG A 22 -14.408 12.481 9.750 1.00 0.00 N ATOM 0 H ARG A 22 -12.591 4.954 9.015 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.318 7.498 7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.616 6.818 10.536 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.157 8.386 9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.670 8.540 9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.925 7.254 10.308 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.268 9.132 11.638 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.576 8.801 11.953 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.965 10.757 10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.375 9.995 10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.735 11.560 9.574 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.435 12.764 9.866 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.078 13.121 9.324 1.00 0.00 H new ATOM 309 N THR A 23 -10.459 6.028 8.226 1.00 0.00 N ATOM 310 CA THR A 23 -9.049 6.012 7.858 1.00 0.00 C ATOM 311 C THR A 23 -8.559 4.589 7.617 1.00 0.00 C ATOM 312 O THR A 23 -9.279 3.623 7.871 1.00 0.00 O ATOM 313 CB THR A 23 -8.177 6.665 8.947 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.360 5.986 10.194 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.527 8.137 9.109 1.00 0.00 C ATOM 0 H THR A 23 -10.780 5.185 8.703 1.00 0.00 H new ATOM 0 HA THR A 23 -8.957 6.586 6.936 1.00 0.00 H new ATOM 0 HB THR A 23 -7.134 6.587 8.641 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.995 5.249 10.075 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.899 8.577 9.883 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.359 8.657 8.166 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.575 8.233 9.394 1.00 0.00 H new ATOM 323 N ALA A 24 -7.331 4.466 7.125 1.00 0.00 N ATOM 324 CA ALA A 24 -6.744 3.160 6.853 1.00 0.00 C ATOM 325 C ALA A 24 -5.222 3.237 6.823 1.00 0.00 C ATOM 326 O ALA A 24 -4.642 3.958 6.010 1.00 0.00 O ATOM 327 CB ALA A 24 -7.272 2.608 5.536 1.00 0.00 C ATOM 0 H ALA A 24 -6.723 5.255 6.907 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.032 2.485 7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.825 1.632 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.356 2.506 5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.013 3.290 4.726 1.00 0.00 H new ATOM 333 N LEU A 25 -4.579 2.491 7.715 1.00 0.00 N ATOM 334 CA LEU A 25 -3.122 2.475 7.792 1.00 0.00 C ATOM 335 C LEU A 25 -2.559 1.189 7.196 1.00 0.00 C ATOM 336 O LEU A 25 -2.995 0.090 7.540 1.00 0.00 O ATOM 337 CB LEU A 25 -2.667 2.619 9.245 1.00 0.00 C ATOM 338 CG LEU A 25 -1.172 2.424 9.503 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.427 3.740 9.343 1.00 0.00 C ATOM 340 CD2 LEU A 25 -0.942 1.844 10.891 1.00 0.00 C ATOM 0 H LEU A 25 -5.044 1.889 8.395 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.743 3.318 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.950 3.611 9.597 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.217 1.898 9.850 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.784 1.719 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.635 3.582 9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.565 4.115 8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.817 4.468 10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.127 1.712 11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.345 2.525 11.641 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.443 0.879 10.970 1.00 0.00 H new ATOM 352 N LEU A 26 -1.587 1.334 6.302 1.00 0.00 N ATOM 353 CA LEU A 26 -0.962 0.183 5.659 1.00 0.00 C ATOM 354 C LEU A 26 0.475 0.006 6.139 1.00 0.00 C ATOM 355 O LEU A 26 1.289 0.925 6.051 1.00 0.00 O ATOM 356 CB LEU A 26 -0.987 0.348 4.138 1.00 0.00 C ATOM 357 CG LEU A 26 -2.218 -0.209 3.423 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.510 0.590 2.162 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.022 -1.681 3.091 1.00 0.00 C ATOM 0 H LEU A 26 -1.215 2.236 6.006 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.529 -0.707 5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.907 1.410 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.102 -0.136 3.725 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.074 -0.119 4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.390 0.179 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.695 1.631 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.655 0.533 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.908 -2.060 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.154 -1.795 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.863 -2.243 4.011 1.00 0.00 H new ATOM 371 N THR A 27 0.781 -1.185 6.646 1.00 0.00 N ATOM 372 CA THR A 27 2.120 -1.484 7.139 1.00 0.00 C ATOM 373 C THR A 27 2.864 -2.408 6.182 1.00 0.00 C ATOM 374 O THR A 27 2.286 -3.346 5.633 1.00 0.00 O ATOM 375 CB THR A 27 2.072 -2.138 8.532 1.00 0.00 C ATOM 376 OG1 THR A 27 1.561 -3.472 8.430 1.00 0.00 O ATOM 377 CG2 THR A 27 1.201 -1.328 9.481 1.00 0.00 C ATOM 0 H THR A 27 0.120 -1.958 6.726 1.00 0.00 H new ATOM 0 HA THR A 27 2.651 -0.534 7.209 1.00 0.00 H new ATOM 0 HB THR A 27 3.086 -2.167 8.930 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.952 -4.027 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.182 -1.810 10.459 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.609 -0.322 9.580 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.187 -1.271 9.085 1.00 0.00 H new ATOM 385 N TRP A 28 4.150 -2.137 5.986 1.00 0.00 N ATOM 386 CA TRP A 28 4.974 -2.946 5.095 1.00 0.00 C ATOM 387 C TRP A 28 6.389 -3.090 5.643 1.00 0.00 C ATOM 388 O TRP A 28 6.861 -2.245 6.404 1.00 0.00 O ATOM 389 CB TRP A 28 5.016 -2.321 3.699 1.00 0.00 C ATOM 390 CG TRP A 28 5.866 -1.089 3.625 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.231 -1.035 3.610 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.408 0.266 3.559 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.649 0.272 3.538 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.550 1.089 3.504 1.00 0.00 C ATOM 395 CE3 TRP A 28 4.145 0.863 3.537 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.463 2.477 3.432 1.00 0.00 C ATOM 397 CZ3 TRP A 28 4.061 2.240 3.466 1.00 0.00 C ATOM 398 CH2 TRP A 28 5.214 3.035 3.412 1.00 0.00 C ATOM 0 H TRP A 28 4.644 -1.364 6.432 1.00 0.00 H new ATOM 0 HA TRP A 28 4.528 -3.938 5.029 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.394 -3.058 2.990 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.001 -2.072 3.389 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.885 -1.893 3.649 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.620 0.583 3.514 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.251 0.259 3.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.350 3.091 3.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.090 2.712 3.452 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.115 4.109 3.353 1.00 0.00 H new ATOM 409 N THR A 29 7.063 -4.168 5.253 1.00 0.00 N ATOM 410 CA THR A 29 8.425 -4.423 5.707 1.00 0.00 C ATOM 411 C THR A 29 9.437 -3.648 4.872 1.00 0.00 C ATOM 412 O THR A 29 9.409 -3.699 3.642 1.00 0.00 O ATOM 413 CB THR A 29 8.765 -5.924 5.644 1.00 0.00 C ATOM 414 OG1 THR A 29 7.902 -6.659 6.519 1.00 0.00 O ATOM 415 CG2 THR A 29 10.216 -6.166 6.033 1.00 0.00 C ATOM 0 H THR A 29 6.688 -4.878 4.624 1.00 0.00 H new ATOM 0 HA THR A 29 8.482 -4.088 6.743 1.00 0.00 H new ATOM 0 HB THR A 29 8.618 -6.265 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.232 -7.578 6.608 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.433 -7.233 5.981 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.871 -5.629 5.347 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.384 -5.810 7.049 1.00 0.00 H new ATOM 423 N GLU A 30 10.331 -2.933 5.547 1.00 0.00 N ATOM 424 CA GLU A 30 11.353 -2.147 4.865 1.00 0.00 C ATOM 425 C GLU A 30 12.487 -3.041 4.372 1.00 0.00 C ATOM 426 O GLU A 30 12.986 -3.906 5.091 1.00 0.00 O ATOM 427 CB GLU A 30 11.907 -1.069 5.799 1.00 0.00 C ATOM 428 CG GLU A 30 11.099 0.217 5.792 1.00 0.00 C ATOM 429 CD GLU A 30 11.487 1.156 6.918 1.00 0.00 C ATOM 430 OE1 GLU A 30 11.733 0.668 8.040 1.00 0.00 O ATOM 431 OE2 GLU A 30 11.544 2.380 6.675 1.00 0.00 O ATOM 0 H GLU A 30 10.369 -2.882 6.565 1.00 0.00 H new ATOM 0 HA GLU A 30 10.891 -1.667 4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.939 -1.462 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.934 -0.844 5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.238 0.724 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.039 -0.024 5.874 1.00 0.00 H new ATOM 438 N PRO A 31 12.904 -2.827 3.115 1.00 0.00 N ATOM 439 CA PRO A 31 13.983 -3.603 2.496 1.00 0.00 C ATOM 440 C PRO A 31 15.345 -3.289 3.105 1.00 0.00 C ATOM 441 O PRO A 31 15.502 -2.346 3.881 1.00 0.00 O ATOM 442 CB PRO A 31 13.939 -3.165 1.030 1.00 0.00 C ATOM 443 CG PRO A 31 13.332 -1.805 1.059 1.00 0.00 C ATOM 444 CD PRO A 31 12.353 -1.812 2.201 1.00 0.00 C ATOM 0 HA PRO A 31 13.848 -4.675 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.937 -3.144 0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.343 -3.852 0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.095 -1.040 1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.831 -1.581 0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.286 -0.835 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 31 11.349 -2.074 1.868 1.00 0.00 H new ATOM 452 N PRO A 32 16.355 -4.095 2.747 1.00 0.00 N ATOM 453 CA PRO A 32 17.722 -3.922 3.246 1.00 0.00 C ATOM 454 C PRO A 32 18.391 -2.673 2.683 1.00 0.00 C ATOM 455 O PRO A 32 19.435 -2.241 3.172 1.00 0.00 O ATOM 456 CB PRO A 32 18.441 -5.181 2.755 1.00 0.00 C ATOM 457 CG PRO A 32 17.670 -5.615 1.557 1.00 0.00 C ATOM 458 CD PRO A 32 16.240 -5.239 1.826 1.00 0.00 C ATOM 0 HA PRO A 32 17.748 -3.795 4.328 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.480 -4.970 2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.451 -5.956 3.522 1.00 0.00 H new ATOM 0 HG2 PRO A 32 18.040 -5.125 0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.768 -6.689 1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.717 -4.966 0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.686 -6.063 2.276 1.00 0.00 H new ATOM 466 N VAL A 33 17.783 -2.095 1.652 1.00 0.00 N ATOM 467 CA VAL A 33 18.318 -0.894 1.023 1.00 0.00 C ATOM 468 C VAL A 33 17.284 0.226 1.006 1.00 0.00 C ATOM 469 O VAL A 33 16.222 0.095 0.398 1.00 0.00 O ATOM 470 CB VAL A 33 18.779 -1.174 -0.420 1.00 0.00 C ATOM 471 CG1 VAL A 33 19.105 0.127 -1.138 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.978 -2.110 -0.424 1.00 0.00 C ATOM 0 H VAL A 33 16.919 -2.440 1.234 1.00 0.00 H new ATOM 0 HA VAL A 33 19.177 -0.582 1.617 1.00 0.00 H new ATOM 0 HB VAL A 33 17.965 -1.662 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.429 -0.090 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.217 0.759 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.903 0.646 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.290 -2.297 -1.451 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.799 -1.652 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.705 -3.053 0.049 1.00 0.00 H new ATOM 482 N ARG A 34 17.602 1.327 1.678 1.00 0.00 N ATOM 483 CA ARG A 34 16.700 2.471 1.741 1.00 0.00 C ATOM 484 C ARG A 34 16.551 3.123 0.370 1.00 0.00 C ATOM 485 O ARG A 34 17.510 3.638 -0.207 1.00 0.00 O ATOM 486 CB ARG A 34 17.213 3.497 2.753 1.00 0.00 C ATOM 487 CG ARG A 34 16.283 4.685 2.941 1.00 0.00 C ATOM 488 CD ARG A 34 17.000 5.856 3.595 1.00 0.00 C ATOM 489 NE ARG A 34 18.008 6.441 2.714 1.00 0.00 N ATOM 490 CZ ARG A 34 18.758 7.485 3.048 1.00 0.00 C ATOM 491 NH1 ARG A 34 18.616 8.055 4.237 1.00 0.00 N ATOM 492 NH2 ARG A 34 19.654 7.961 2.193 1.00 0.00 N ATOM 0 H ARG A 34 18.477 1.451 2.187 1.00 0.00 H new ATOM 0 HA ARG A 34 15.722 2.113 2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.359 3.005 3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.189 3.858 2.429 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.886 4.994 1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.432 4.389 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.272 6.619 3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.475 5.521 4.517 1.00 0.00 H new ATOM 0 HE ARG A 34 18.143 6.025 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.929 7.692 4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 34 19.194 8.857 4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 34 19.767 7.525 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 34 20.229 8.763 2.451 1.00 0.00 H new ATOM 506 N PRO A 35 15.322 3.101 -0.166 1.00 0.00 N ATOM 507 CA PRO A 35 15.019 3.686 -1.476 1.00 0.00 C ATOM 508 C PRO A 35 15.092 5.209 -1.462 1.00 0.00 C ATOM 509 O PRO A 35 15.145 5.827 -0.399 1.00 0.00 O ATOM 510 CB PRO A 35 13.586 3.222 -1.748 1.00 0.00 C ATOM 511 CG PRO A 35 13.001 2.987 -0.398 1.00 0.00 C ATOM 512 CD PRO A 35 14.133 2.505 0.466 1.00 0.00 C ATOM 0 HA PRO A 35 15.735 3.375 -2.237 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.023 3.977 -2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.572 2.313 -2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.566 3.902 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.202 2.247 -0.442 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.019 2.835 1.499 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.190 1.417 0.483 1.00 0.00 H new ATOM 520 N ALA A 36 15.095 5.807 -2.648 1.00 0.00 N ATOM 521 CA ALA A 36 15.159 7.258 -2.772 1.00 0.00 C ATOM 522 C ALA A 36 13.884 7.911 -2.248 1.00 0.00 C ATOM 523 O ALA A 36 13.924 8.994 -1.666 1.00 0.00 O ATOM 524 CB ALA A 36 15.400 7.654 -4.221 1.00 0.00 C ATOM 0 H ALA A 36 15.054 5.309 -3.537 1.00 0.00 H new ATOM 0 HA ALA A 36 15.993 7.613 -2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.445 8.740 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.342 7.226 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.585 7.280 -4.841 1.00 0.00 H new ATOM 530 N GLY A 37 12.753 7.244 -2.459 1.00 0.00 N ATOM 531 CA GLY A 37 11.483 7.776 -2.003 1.00 0.00 C ATOM 532 C GLY A 37 10.395 6.721 -1.960 1.00 0.00 C ATOM 533 O GLY A 37 10.681 5.524 -1.944 1.00 0.00 O ATOM 0 H GLY A 37 12.694 6.345 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.608 8.205 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.174 8.586 -2.663 1.00 0.00 H new ATOM 537 N TYR A 38 9.143 7.165 -1.941 1.00 0.00 N ATOM 538 CA TYR A 38 8.008 6.251 -1.896 1.00 0.00 C ATOM 539 C TYR A 38 6.797 6.850 -2.605 1.00 0.00 C ATOM 540 O TYR A 38 6.457 8.016 -2.400 1.00 0.00 O ATOM 541 CB TYR A 38 7.651 5.919 -0.446 1.00 0.00 C ATOM 542 CG TYR A 38 8.379 4.709 0.095 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.398 3.512 -0.611 1.00 0.00 C ATOM 544 CD2 TYR A 38 9.048 4.762 1.311 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.060 2.404 -0.120 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.715 3.660 1.809 1.00 0.00 C ATOM 547 CZ TYR A 38 9.718 2.483 1.090 1.00 0.00 C ATOM 548 OH TYR A 38 10.380 1.381 1.582 1.00 0.00 O ATOM 0 H TYR A 38 8.889 8.153 -1.956 1.00 0.00 H new ATOM 0 HA TYR A 38 8.292 5.334 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.879 6.780 0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.577 5.748 -0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.886 3.447 -1.560 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.047 5.682 1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.063 1.481 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.231 3.720 2.756 1.00 0.00 H new ATOM 0 HH TYR A 38 10.791 1.604 2.443 1.00 0.00 H new ATOM 558 N LEU A 39 6.151 6.044 -3.440 1.00 0.00 N ATOM 559 CA LEU A 39 4.977 6.492 -4.181 1.00 0.00 C ATOM 560 C LEU A 39 3.785 5.577 -3.917 1.00 0.00 C ATOM 561 O LEU A 39 3.643 4.527 -4.545 1.00 0.00 O ATOM 562 CB LEU A 39 5.280 6.534 -5.679 1.00 0.00 C ATOM 563 CG LEU A 39 4.076 6.727 -6.603 1.00 0.00 C ATOM 564 CD1 LEU A 39 3.662 8.190 -6.640 1.00 0.00 C ATOM 565 CD2 LEU A 39 4.393 6.225 -8.004 1.00 0.00 C ATOM 0 H LEU A 39 6.420 5.077 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 39 4.724 7.496 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.987 7.342 -5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.779 5.605 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 39 3.243 6.144 -6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.804 8.309 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.393 8.518 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.491 8.794 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.525 6.370 -8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.240 6.780 -8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.641 5.164 -7.963 1.00 0.00 H new ATOM 577 N LEU A 40 2.929 5.983 -2.986 1.00 0.00 N ATOM 578 CA LEU A 40 1.746 5.202 -2.640 1.00 0.00 C ATOM 579 C LEU A 40 0.572 5.563 -3.544 1.00 0.00 C ATOM 580 O LEU A 40 0.068 6.685 -3.504 1.00 0.00 O ATOM 581 CB LEU A 40 1.368 5.432 -1.176 1.00 0.00 C ATOM 582 CG LEU A 40 0.293 4.506 -0.607 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.897 3.170 -0.205 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.399 5.159 0.581 1.00 0.00 C ATOM 0 H LEU A 40 3.032 6.849 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 40 1.982 4.148 -2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.267 5.328 -0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.027 6.462 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.452 4.326 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.117 2.524 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.345 2.696 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.663 3.331 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.161 4.486 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.335 5.369 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.867 6.090 0.263 1.00 0.00 H new ATOM 596 N SER A 41 0.139 4.603 -4.355 1.00 0.00 N ATOM 597 CA SER A 41 -0.976 4.821 -5.269 1.00 0.00 C ATOM 598 C SER A 41 -2.230 4.102 -4.779 1.00 0.00 C ATOM 599 O SER A 41 -2.303 2.873 -4.800 1.00 0.00 O ATOM 600 CB SER A 41 -0.614 4.335 -6.674 1.00 0.00 C ATOM 601 OG SER A 41 0.490 5.056 -7.194 1.00 0.00 O ATOM 0 H SER A 41 0.543 3.667 -4.398 1.00 0.00 H new ATOM 0 HA SER A 41 -1.181 5.891 -5.303 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.377 3.272 -6.645 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.473 4.452 -7.335 1.00 0.00 H new ATOM 0 HG SER A 41 0.420 5.103 -8.170 1.00 0.00 H new ATOM 607 N PHE A 42 -3.213 4.878 -4.336 1.00 0.00 N ATOM 608 CA PHE A 42 -4.464 4.317 -3.838 1.00 0.00 C ATOM 609 C PHE A 42 -5.660 4.921 -4.569 1.00 0.00 C ATOM 610 O PHE A 42 -5.727 6.132 -4.779 1.00 0.00 O ATOM 611 CB PHE A 42 -4.595 4.563 -2.333 1.00 0.00 C ATOM 612 CG PHE A 42 -5.231 5.881 -1.994 1.00 0.00 C ATOM 613 CD1 PHE A 42 -4.574 7.071 -2.260 1.00 0.00 C ATOM 614 CD2 PHE A 42 -6.487 5.929 -1.411 1.00 0.00 C ATOM 615 CE1 PHE A 42 -5.157 8.285 -1.948 1.00 0.00 C ATOM 616 CE2 PHE A 42 -7.075 7.140 -1.097 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.409 8.319 -1.367 1.00 0.00 C ATOM 0 H PHE A 42 -3.168 5.897 -4.311 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.451 3.243 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.185 3.760 -1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.605 4.519 -1.878 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.595 7.050 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.013 5.010 -1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.634 9.206 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.054 7.164 -0.641 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.867 9.267 -1.124 1.00 0.00 H new ATOM 627 N HIS A 43 -6.602 4.067 -4.955 1.00 0.00 N ATOM 628 CA HIS A 43 -7.796 4.515 -5.663 1.00 0.00 C ATOM 629 C HIS A 43 -8.946 3.531 -5.467 1.00 0.00 C ATOM 630 O HIS A 43 -8.728 2.358 -5.160 1.00 0.00 O ATOM 631 CB HIS A 43 -7.499 4.680 -7.154 1.00 0.00 C ATOM 632 CG HIS A 43 -7.572 3.398 -7.925 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.840 2.277 -7.592 1.00 0.00 N ATOM 634 CD2 HIS A 43 -8.296 3.061 -9.017 1.00 0.00 C ATOM 635 CE1 HIS A 43 -7.110 1.308 -8.447 1.00 0.00 C ATOM 636 NE2 HIS A 43 -7.991 1.757 -9.322 1.00 0.00 N ATOM 0 H HIS A 43 -6.562 3.061 -4.790 1.00 0.00 H new ATOM 0 HA HIS A 43 -8.092 5.479 -5.250 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.206 5.391 -7.580 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.504 5.109 -7.273 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.986 3.699 -9.550 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.683 0.316 -8.433 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -8.381 1.223 -10.098 1.00 0.00 H new ATOM 645 N THR A 44 -10.171 4.015 -5.646 1.00 0.00 N ATOM 646 CA THR A 44 -11.354 3.179 -5.487 1.00 0.00 C ATOM 647 C THR A 44 -11.779 2.570 -6.818 1.00 0.00 C ATOM 648 O THR A 44 -11.646 3.181 -7.879 1.00 0.00 O ATOM 649 CB THR A 44 -12.533 3.980 -4.901 1.00 0.00 C ATOM 650 OG1 THR A 44 -13.750 3.243 -5.057 1.00 0.00 O ATOM 651 CG2 THR A 44 -12.661 5.332 -5.585 1.00 0.00 C ATOM 0 H THR A 44 -10.370 4.982 -5.901 1.00 0.00 H new ATOM 0 HA THR A 44 -11.087 2.381 -4.794 1.00 0.00 H new ATOM 0 HB THR A 44 -12.342 4.144 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.494 3.757 -4.681 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.500 5.879 -5.155 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.743 5.902 -5.440 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.832 5.185 -6.651 1.00 0.00 H new ATOM 659 N PRO A 45 -12.306 1.337 -6.764 1.00 0.00 N ATOM 660 CA PRO A 45 -12.763 0.619 -7.957 1.00 0.00 C ATOM 661 C PRO A 45 -14.021 1.236 -8.559 1.00 0.00 C ATOM 662 O PRO A 45 -15.138 0.882 -8.183 1.00 0.00 O ATOM 663 CB PRO A 45 -13.056 -0.789 -7.433 1.00 0.00 C ATOM 664 CG PRO A 45 -13.351 -0.600 -5.986 1.00 0.00 C ATOM 665 CD PRO A 45 -12.495 0.550 -5.534 1.00 0.00 C ATOM 0 HA PRO A 45 -12.023 0.646 -8.757 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.902 -1.237 -7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.203 -1.452 -7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.408 -0.385 -5.828 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.122 -1.503 -5.420 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.985 1.134 -4.755 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.544 0.207 -5.126 1.00 0.00 H new ATOM 704 N THR A 49 -7.813 7.916 -9.925 1.00 0.00 N ATOM 705 CA THR A 49 -6.708 7.511 -9.066 1.00 0.00 C ATOM 706 C THR A 49 -6.037 8.720 -8.425 1.00 0.00 C ATOM 707 O THR A 49 -5.981 9.797 -9.019 1.00 0.00 O ATOM 708 CB THR A 49 -5.652 6.707 -9.849 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.281 5.632 -10.556 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.590 6.152 -8.912 1.00 0.00 C ATOM 0 HA THR A 49 -7.131 6.878 -8.286 1.00 0.00 H new ATOM 0 HB THR A 49 -5.171 7.377 -10.561 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.214 5.866 -10.744 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.856 5.588 -9.487 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.094 6.974 -8.397 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.059 5.495 -8.179 1.00 0.00 H new ATOM 718 N GLN A 50 -5.528 8.535 -7.211 1.00 0.00 N ATOM 719 CA GLN A 50 -4.860 9.613 -6.491 1.00 0.00 C ATOM 720 C GLN A 50 -3.465 9.187 -6.044 1.00 0.00 C ATOM 721 O GLN A 50 -3.294 8.129 -5.440 1.00 0.00 O ATOM 722 CB GLN A 50 -5.690 10.035 -5.278 1.00 0.00 C ATOM 723 CG GLN A 50 -5.019 11.095 -4.420 1.00 0.00 C ATOM 724 CD GLN A 50 -5.333 12.505 -4.882 1.00 0.00 C ATOM 725 OE1 GLN A 50 -6.389 12.760 -5.461 1.00 0.00 O ATOM 726 NE2 GLN A 50 -4.415 13.430 -4.628 1.00 0.00 N ATOM 0 H GLN A 50 -5.565 7.650 -6.706 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.761 10.461 -7.168 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.653 10.413 -5.621 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.893 9.157 -4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.340 10.976 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.940 10.942 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.554 13.175 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.571 14.396 -4.916 1.00 0.00 H new ATOM 735 N GLU A 51 -2.473 10.018 -6.347 1.00 0.00 N ATOM 736 CA GLU A 51 -1.093 9.725 -5.976 1.00 0.00 C ATOM 737 C GLU A 51 -0.650 10.589 -4.799 1.00 0.00 C ATOM 738 O GLU A 51 -0.963 11.778 -4.737 1.00 0.00 O ATOM 739 CB GLU A 51 -0.162 9.953 -7.169 1.00 0.00 C ATOM 740 CG GLU A 51 -0.087 8.769 -8.118 1.00 0.00 C ATOM 741 CD GLU A 51 0.221 9.183 -9.544 1.00 0.00 C ATOM 742 OE1 GLU A 51 -0.146 10.314 -9.926 1.00 0.00 O ATOM 743 OE2 GLU A 51 0.830 8.377 -10.278 1.00 0.00 O ATOM 0 H GLU A 51 -2.598 10.898 -6.847 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.039 8.678 -5.676 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.501 10.829 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.839 10.176 -6.800 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.681 8.078 -7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.034 8.230 -8.097 1.00 0.00 H new ATOM 750 N ILE A 52 0.078 9.982 -3.868 1.00 0.00 N ATOM 751 CA ILE A 52 0.564 10.696 -2.694 1.00 0.00 C ATOM 752 C ILE A 52 2.070 10.521 -2.528 1.00 0.00 C ATOM 753 O ILE A 52 2.571 9.398 -2.449 1.00 0.00 O ATOM 754 CB ILE A 52 -0.141 10.216 -1.412 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.657 10.366 -1.551 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.365 10.993 -0.206 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.421 9.957 -0.311 1.00 0.00 C ATOM 0 H ILE A 52 0.344 8.998 -3.904 1.00 0.00 H new ATOM 0 HA ILE A 52 0.338 11.751 -2.850 1.00 0.00 H new ATOM 0 HB ILE A 52 0.089 9.161 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.891 11.404 -1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.998 9.764 -2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.143 10.642 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.439 10.840 -0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.162 12.055 -0.346 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.489 10.090 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.217 8.910 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.108 10.576 0.530 1.00 0.00 H new ATOM 769 N LEU A 53 2.787 11.638 -2.475 1.00 0.00 N ATOM 770 CA LEU A 53 4.237 11.609 -2.316 1.00 0.00 C ATOM 771 C LEU A 53 4.621 11.279 -0.877 1.00 0.00 C ATOM 772 O LEU A 53 4.363 12.059 0.040 1.00 0.00 O ATOM 773 CB LEU A 53 4.841 12.954 -2.722 1.00 0.00 C ATOM 774 CG LEU A 53 6.262 12.910 -3.286 1.00 0.00 C ATOM 775 CD1 LEU A 53 6.506 14.092 -4.211 1.00 0.00 C ATOM 776 CD2 LEU A 53 7.283 12.892 -2.158 1.00 0.00 C ATOM 0 H LEU A 53 2.388 12.575 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 53 4.634 10.829 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.190 13.412 -3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.838 13.609 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 53 6.375 11.993 -3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.522 14.044 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.796 14.059 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.375 15.021 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.288 12.861 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.171 13.791 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.122 12.012 -1.536 1.00 0.00 H new ATOM 788 N LEU A 54 5.241 10.120 -0.687 1.00 0.00 N ATOM 789 CA LEU A 54 5.663 9.687 0.641 1.00 0.00 C ATOM 790 C LEU A 54 7.175 9.814 0.799 1.00 0.00 C ATOM 791 O LEU A 54 7.929 9.812 -0.174 1.00 0.00 O ATOM 792 CB LEU A 54 5.233 8.240 0.888 1.00 0.00 C ATOM 793 CG LEU A 54 3.854 8.048 1.520 1.00 0.00 C ATOM 794 CD1 LEU A 54 2.777 7.999 0.447 1.00 0.00 C ATOM 795 CD2 LEU A 54 3.826 6.783 2.365 1.00 0.00 C ATOM 0 H LEU A 54 5.463 9.463 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 54 5.183 10.332 1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.251 7.709 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.975 7.767 1.531 1.00 0.00 H new ATOM 0 HG LEU A 54 3.652 8.899 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.802 7.862 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.781 8.933 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.975 7.167 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.837 6.662 2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.050 5.921 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.571 6.858 3.157 1.00 0.00 H new ATOM 807 N PRO A 55 7.631 9.926 2.056 1.00 0.00 N ATOM 808 CA PRO A 55 9.057 10.054 2.372 1.00 0.00 C ATOM 809 C PRO A 55 9.827 8.766 2.103 1.00 0.00 C ATOM 810 O PRO A 55 9.326 7.857 1.442 1.00 0.00 O ATOM 811 CB PRO A 55 9.060 10.377 3.869 1.00 0.00 C ATOM 812 CG PRO A 55 7.786 9.803 4.383 1.00 0.00 C ATOM 813 CD PRO A 55 6.790 9.937 3.265 1.00 0.00 C ATOM 0 HA PRO A 55 9.545 10.811 1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.923 9.935 4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.108 11.452 4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.915 8.759 4.667 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.449 10.336 5.272 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.074 9.115 3.264 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.216 10.860 3.347 1.00 0.00 H new ATOM 821 N GLY A 56 11.050 8.694 2.621 1.00 0.00 N ATOM 822 CA GLY A 56 11.870 7.513 2.426 1.00 0.00 C ATOM 823 C GLY A 56 12.494 7.020 3.716 1.00 0.00 C ATOM 824 O GLY A 56 13.687 7.211 3.950 1.00 0.00 O ATOM 0 H GLY A 56 11.487 9.433 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.261 6.719 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.658 7.737 1.707 1.00 0.00 H new ATOM 828 N GLY A 57 11.685 6.385 4.559 1.00 0.00 N ATOM 829 CA GLY A 57 12.183 5.876 5.823 1.00 0.00 C ATOM 830 C GLY A 57 11.069 5.580 6.808 1.00 0.00 C ATOM 831 O GLY A 57 11.136 5.980 7.970 1.00 0.00 O ATOM 0 H GLY A 57 10.694 6.214 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.757 4.967 5.644 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.867 6.604 6.260 1.00 0.00 H new ATOM 835 N ILE A 58 10.041 4.878 6.342 1.00 0.00 N ATOM 836 CA ILE A 58 8.907 4.530 7.190 1.00 0.00 C ATOM 837 C ILE A 58 8.473 3.086 6.961 1.00 0.00 C ATOM 838 O ILE A 58 8.943 2.423 6.035 1.00 0.00 O ATOM 839 CB ILE A 58 7.708 5.462 6.937 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.958 5.032 5.674 1.00 0.00 C ATOM 841 CG2 ILE A 58 8.174 6.905 6.818 1.00 0.00 C ATOM 842 CD1 ILE A 58 5.909 6.027 5.227 1.00 0.00 C ATOM 0 H ILE A 58 9.970 4.539 5.382 1.00 0.00 H new ATOM 0 HA ILE A 58 9.236 4.648 8.222 1.00 0.00 H new ATOM 0 HB ILE A 58 7.026 5.391 7.784 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.676 4.885 4.867 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.480 4.069 5.855 1.00 0.00 H new ATOM 0 HG21 ILE A 58 7.315 7.551 6.639 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.668 7.205 7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.874 6.994 5.987 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.417 5.658 4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.170 6.156 6.017 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.383 6.985 5.014 1.00 0.00 H new ATOM 854 N THR A 59 7.569 2.604 7.809 1.00 0.00 N ATOM 855 CA THR A 59 7.070 1.239 7.699 1.00 0.00 C ATOM 856 C THR A 59 5.556 1.221 7.519 1.00 0.00 C ATOM 857 O THR A 59 4.963 0.170 7.278 1.00 0.00 O ATOM 858 CB THR A 59 7.438 0.405 8.940 1.00 0.00 C ATOM 859 OG1 THR A 59 7.218 1.171 10.129 1.00 0.00 O ATOM 860 CG2 THR A 59 8.892 -0.041 8.879 1.00 0.00 C ATOM 0 H THR A 59 7.168 3.139 8.579 1.00 0.00 H new ATOM 0 HA THR A 59 7.543 0.799 6.821 1.00 0.00 H new ATOM 0 HB THR A 59 6.802 -0.480 8.957 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.453 0.632 10.913 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.130 -0.629 9.766 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.049 -0.649 7.988 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.540 0.835 8.840 1.00 0.00 H new ATOM 868 N SER A 60 4.936 2.391 7.638 1.00 0.00 N ATOM 869 CA SER A 60 3.490 2.508 7.492 1.00 0.00 C ATOM 870 C SER A 60 3.085 3.957 7.238 1.00 0.00 C ATOM 871 O SER A 60 3.794 4.888 7.623 1.00 0.00 O ATOM 872 CB SER A 60 2.785 1.981 8.744 1.00 0.00 C ATOM 873 OG SER A 60 3.531 0.939 9.348 1.00 0.00 O ATOM 0 H SER A 60 5.413 3.271 7.835 1.00 0.00 H new ATOM 0 HA SER A 60 3.187 1.908 6.634 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.647 2.794 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.792 1.616 8.480 1.00 0.00 H new ATOM 0 HG SER A 60 3.372 0.941 10.315 1.00 0.00 H new ATOM 879 N HIS A 61 1.941 4.140 6.588 1.00 0.00 N ATOM 880 CA HIS A 61 1.440 5.476 6.282 1.00 0.00 C ATOM 881 C HIS A 61 -0.059 5.568 6.552 1.00 0.00 C ATOM 882 O HIS A 61 -0.810 4.638 6.259 1.00 0.00 O ATOM 883 CB HIS A 61 1.731 5.831 4.824 1.00 0.00 C ATOM 884 CG HIS A 61 1.804 7.305 4.570 1.00 0.00 C ATOM 885 ND1 HIS A 61 1.120 7.928 3.548 1.00 0.00 N ATOM 886 CD2 HIS A 61 2.485 8.282 5.215 1.00 0.00 C ATOM 887 CE1 HIS A 61 1.378 9.223 3.573 1.00 0.00 C ATOM 888 NE2 HIS A 61 2.203 9.464 4.575 1.00 0.00 N ATOM 0 H HIS A 61 1.343 3.381 6.263 1.00 0.00 H new ATOM 0 HA HIS A 61 1.952 6.187 6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.675 5.372 4.528 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.955 5.400 4.192 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.129 8.155 6.072 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.981 9.960 2.890 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.571 10.380 4.832 1.00 0.00 H new ATOM 897 N GLN A 62 -0.486 6.696 7.112 1.00 0.00 N ATOM 898 CA GLN A 62 -1.895 6.908 7.422 1.00 0.00 C ATOM 899 C GLN A 62 -2.630 7.511 6.229 1.00 0.00 C ATOM 900 O GLN A 62 -2.249 8.566 5.720 1.00 0.00 O ATOM 901 CB GLN A 62 -2.039 7.823 8.639 1.00 0.00 C ATOM 902 CG GLN A 62 -3.482 8.148 8.989 1.00 0.00 C ATOM 903 CD GLN A 62 -4.173 7.017 9.724 1.00 0.00 C ATOM 904 OE1 GLN A 62 -4.145 6.951 10.953 1.00 0.00 O ATOM 905 NE2 GLN A 62 -4.800 6.119 8.973 1.00 0.00 N ATOM 0 H GLN A 62 0.123 7.476 7.360 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.341 5.940 7.649 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.564 7.349 9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.502 8.752 8.450 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.509 9.047 9.605 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.032 8.372 8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.798 6.213 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.284 5.336 9.412 1.00 0.00 H new ATOM 914 N LEU A 63 -3.684 6.834 5.787 1.00 0.00 N ATOM 915 CA LEU A 63 -4.473 7.302 4.653 1.00 0.00 C ATOM 916 C LEU A 63 -5.766 7.960 5.123 1.00 0.00 C ATOM 917 O LEU A 63 -6.439 7.457 6.024 1.00 0.00 O ATOM 918 CB LEU A 63 -4.792 6.138 3.713 1.00 0.00 C ATOM 919 CG LEU A 63 -3.602 5.530 2.970 1.00 0.00 C ATOM 920 CD1 LEU A 63 -3.960 4.157 2.423 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.146 6.451 1.848 1.00 0.00 C ATOM 0 H LEU A 63 -4.012 5.959 6.197 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.884 8.045 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.274 5.351 4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.518 6.481 2.976 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.779 5.415 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.101 3.740 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.237 3.498 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.799 4.248 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.298 6.002 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.964 6.599 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.848 7.413 2.265 1.00 0.00 H new ATOM 933 N LEU A 64 -6.110 9.086 4.507 1.00 0.00 N ATOM 934 CA LEU A 64 -7.324 9.812 4.861 1.00 0.00 C ATOM 935 C LEU A 64 -8.253 9.938 3.658 1.00 0.00 C ATOM 936 O LEU A 64 -7.824 9.805 2.513 1.00 0.00 O ATOM 937 CB LEU A 64 -6.974 11.201 5.398 1.00 0.00 C ATOM 938 CG LEU A 64 -5.799 11.266 6.375 1.00 0.00 C ATOM 939 CD1 LEU A 64 -6.038 10.343 7.559 1.00 0.00 C ATOM 940 CD2 LEU A 64 -4.499 10.908 5.670 1.00 0.00 C ATOM 0 H LEU A 64 -5.565 9.516 3.760 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.841 9.249 5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.753 11.851 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.855 11.610 5.893 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.717 12.287 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.192 10.402 8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.947 10.646 8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.147 9.318 7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.674 10.959 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.569 9.897 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.321 11.611 4.856 1.00 0.00 H new ATOM 952 N GLY A 65 -9.529 10.199 3.927 1.00 0.00 N ATOM 953 CA GLY A 65 -10.499 10.342 2.856 1.00 0.00 C ATOM 954 C GLY A 65 -10.882 9.011 2.240 1.00 0.00 C ATOM 955 O GLY A 65 -10.481 8.699 1.118 1.00 0.00 O ATOM 0 H GLY A 65 -9.908 10.314 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.393 10.831 3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.089 10.992 2.083 1.00 0.00 H new ATOM 959 N LEU A 66 -11.660 8.224 2.975 1.00 0.00 N ATOM 960 CA LEU A 66 -12.097 6.917 2.495 1.00 0.00 C ATOM 961 C LEU A 66 -13.605 6.755 2.656 1.00 0.00 C ATOM 962 O LEU A 66 -14.227 7.422 3.483 1.00 0.00 O ATOM 963 CB LEU A 66 -11.369 5.805 3.251 1.00 0.00 C ATOM 964 CG LEU A 66 -9.851 5.950 3.361 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.274 4.860 4.251 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.210 5.909 1.981 1.00 0.00 C ATOM 0 H LEU A 66 -12.001 8.468 3.905 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.854 6.846 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.782 5.747 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.589 4.856 2.761 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.629 6.916 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.193 4.979 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.709 4.935 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.506 3.883 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.129 6.014 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.441 4.958 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.600 6.726 1.374 1.00 0.00 H new ATOM 978 N PHE A 67 -14.187 5.863 1.861 1.00 0.00 N ATOM 979 CA PHE A 67 -15.622 5.611 1.916 1.00 0.00 C ATOM 980 C PHE A 67 -15.932 4.419 2.817 1.00 0.00 C ATOM 981 O PHE A 67 -15.133 3.494 2.961 1.00 0.00 O ATOM 982 CB PHE A 67 -16.171 5.358 0.510 1.00 0.00 C ATOM 983 CG PHE A 67 -16.085 6.556 -0.392 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.450 7.812 0.066 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.639 6.426 -1.697 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.372 8.916 -0.762 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.559 7.527 -2.530 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.925 8.773 -2.061 1.00 0.00 C ATOM 0 H PHE A 67 -13.687 5.303 1.171 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.104 6.495 2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.622 4.532 0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.212 5.045 0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.799 7.930 1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.350 5.454 -2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.660 9.889 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -15.211 7.412 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.862 9.635 -2.709 1.00 0.00 H new ATOM 998 N PRO A 68 -17.120 4.442 3.440 1.00 0.00 N ATOM 999 CA PRO A 68 -17.563 3.371 4.338 1.00 0.00 C ATOM 1000 C PRO A 68 -17.868 2.077 3.591 1.00 0.00 C ATOM 1001 O PRO A 68 -18.720 2.048 2.703 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.838 3.940 4.966 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.341 4.928 3.971 1.00 0.00 C ATOM 1004 CD PRO A 68 -18.122 5.513 3.314 1.00 0.00 C ATOM 0 HA PRO A 68 -16.796 3.105 5.065 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.572 3.156 5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.629 4.415 5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.987 4.447 3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -19.933 5.704 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.310 5.766 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.798 6.427 3.811 1.00 0.00 H new ATOM 1012 N SER A 69 -17.168 1.008 3.958 1.00 0.00 N ATOM 1013 CA SER A 69 -17.362 -0.288 3.320 1.00 0.00 C ATOM 1014 C SER A 69 -17.016 -0.221 1.835 1.00 0.00 C ATOM 1015 O SER A 69 -17.681 -0.837 1.002 1.00 0.00 O ATOM 1016 CB SER A 69 -18.808 -0.756 3.498 1.00 0.00 C ATOM 1017 OG SER A 69 -18.969 -2.093 3.055 1.00 0.00 O ATOM 0 H SER A 69 -16.462 1.014 4.694 1.00 0.00 H new ATOM 0 HA SER A 69 -16.694 -1.004 3.798 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.091 -0.681 4.548 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.477 -0.101 2.939 1.00 0.00 H new ATOM 0 HG SER A 69 -18.501 -2.214 2.202 1.00 0.00 H new ATOM 1023 N THR A 70 -15.971 0.533 1.512 1.00 0.00 N ATOM 1024 CA THR A 70 -15.536 0.684 0.129 1.00 0.00 C ATOM 1025 C THR A 70 -14.138 0.110 -0.074 1.00 0.00 C ATOM 1026 O THR A 70 -13.174 0.566 0.541 1.00 0.00 O ATOM 1027 CB THR A 70 -15.539 2.162 -0.304 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.861 2.702 -0.195 1.00 0.00 O ATOM 1029 CG2 THR A 70 -15.041 2.309 -1.734 1.00 0.00 C ATOM 0 H THR A 70 -15.410 1.049 2.189 1.00 0.00 H new ATOM 0 HA THR A 70 -16.246 0.132 -0.487 1.00 0.00 H new ATOM 0 HB THR A 70 -14.867 2.712 0.355 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.039 3.288 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.052 3.362 -2.017 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.024 1.925 -1.806 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.690 1.746 -2.405 1.00 0.00 H new ATOM 1037 N SER A 71 -14.035 -0.893 -0.940 1.00 0.00 N ATOM 1038 CA SER A 71 -12.755 -1.532 -1.221 1.00 0.00 C ATOM 1039 C SER A 71 -11.811 -0.567 -1.932 1.00 0.00 C ATOM 1040 O SER A 71 -12.236 0.239 -2.760 1.00 0.00 O ATOM 1041 CB SER A 71 -12.962 -2.783 -2.077 1.00 0.00 C ATOM 1042 OG SER A 71 -11.752 -3.505 -2.226 1.00 0.00 O ATOM 0 H SER A 71 -14.823 -1.281 -1.459 1.00 0.00 H new ATOM 0 HA SER A 71 -12.305 -1.821 -0.271 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.716 -3.422 -1.617 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.342 -2.497 -3.058 1.00 0.00 H new ATOM 0 HG SER A 71 -11.911 -4.301 -2.775 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.527 -0.655 -1.602 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.522 0.211 -2.206 1.00 0.00 C ATOM 1050 C TYR A 72 -8.311 -0.596 -2.663 1.00 0.00 C ATOM 1051 O TYR A 72 -8.052 -1.687 -2.158 1.00 0.00 O ATOM 1052 CB TYR A 72 -9.084 1.289 -1.213 1.00 0.00 C ATOM 1053 CG TYR A 72 -10.042 2.456 -1.125 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -9.944 3.529 -2.001 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -11.047 2.484 -0.165 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -10.816 4.597 -1.924 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -11.925 3.547 -0.081 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.805 4.602 -0.962 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.677 5.663 -0.882 1.00 0.00 O ATOM 0 H TYR A 72 -10.158 -1.317 -0.920 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.968 0.689 -3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.979 0.840 -0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.100 1.658 -1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -9.172 3.528 -2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.143 1.660 0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.724 5.424 -2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.701 3.552 0.670 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.530 5.417 -1.296 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.572 -0.049 -3.624 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.387 -0.718 -4.150 1.00 0.00 C ATOM 1071 C ASN A 73 -5.146 0.150 -3.967 1.00 0.00 C ATOM 1072 O ASN A 73 -4.935 1.113 -4.704 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.579 -1.047 -5.632 1.00 0.00 C ATOM 1074 CG ASN A 73 -5.412 -1.828 -6.207 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -5.302 -3.037 -6.005 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -4.535 -1.137 -6.926 1.00 0.00 N ATOM 0 H ASN A 73 -7.773 0.854 -4.053 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.245 -1.645 -3.594 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.496 -1.623 -5.758 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.705 -0.121 -6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.729 -1.608 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.667 -0.135 -7.067 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.328 -0.197 -2.979 1.00 0.00 N ATOM 1084 CA ALA A 74 -3.107 0.548 -2.700 1.00 0.00 C ATOM 1085 C ALA A 74 -1.896 -0.126 -3.336 1.00 0.00 C ATOM 1086 O ALA A 74 -1.922 -1.320 -3.632 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.907 0.690 -1.198 1.00 0.00 C ATOM 0 H ALA A 74 -4.489 -0.990 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.208 1.541 -3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.991 1.248 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.755 1.222 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.831 -0.299 -0.746 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.835 0.648 -3.543 1.00 0.00 N ATOM 1094 CA ARG A 75 0.385 0.126 -4.146 1.00 0.00 C ATOM 1095 C ARG A 75 1.605 0.909 -3.668 1.00 0.00 C ATOM 1096 O ARG A 75 1.661 2.132 -3.798 1.00 0.00 O ATOM 1097 CB ARG A 75 0.292 0.187 -5.672 1.00 0.00 C ATOM 1098 CG ARG A 75 1.523 -0.358 -6.379 1.00 0.00 C ATOM 1099 CD ARG A 75 1.502 -0.029 -7.864 1.00 0.00 C ATOM 1100 NE ARG A 75 1.765 1.385 -8.115 1.00 0.00 N ATOM 1101 CZ ARG A 75 1.592 1.966 -9.297 1.00 0.00 C ATOM 1102 NH1 ARG A 75 1.159 1.257 -10.331 1.00 0.00 N ATOM 1103 NH2 ARG A 75 1.852 3.258 -9.448 1.00 0.00 N ATOM 0 H ARG A 75 -0.796 1.638 -3.302 1.00 0.00 H new ATOM 0 HA ARG A 75 0.497 -0.913 -3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.583 -0.376 -5.997 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.136 1.222 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.421 0.061 -5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.573 -1.439 -6.245 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.248 -0.634 -8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.531 -0.297 -8.281 1.00 0.00 H new ATOM 0 HE ARG A 75 2.100 1.958 -7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.958 0.263 -10.220 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.027 1.706 -11.238 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.185 3.807 -8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.719 3.702 -10.356 1.00 0.00 H new ATOM 1117 N LEU A 76 2.580 0.195 -3.116 1.00 0.00 N ATOM 1118 CA LEU A 76 3.799 0.822 -2.618 1.00 0.00 C ATOM 1119 C LEU A 76 4.939 0.668 -3.620 1.00 0.00 C ATOM 1120 O LEU A 76 5.505 -0.415 -3.768 1.00 0.00 O ATOM 1121 CB LEU A 76 4.199 0.210 -1.275 1.00 0.00 C ATOM 1122 CG LEU A 76 5.418 0.830 -0.591 1.00 0.00 C ATOM 1123 CD1 LEU A 76 5.025 2.094 0.157 1.00 0.00 C ATOM 1124 CD2 LEU A 76 6.066 -0.171 0.355 1.00 0.00 C ATOM 0 H LEU A 76 2.550 -0.818 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 76 3.601 1.885 -2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.349 0.286 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.393 -0.852 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 76 6.144 1.097 -1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.905 2.521 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.608 2.817 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.280 1.852 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.932 0.288 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.347 -0.469 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.384 -1.049 -0.207 1.00 0.00 H new ATOM 1136 N GLN A 77 5.271 1.758 -4.304 1.00 0.00 N ATOM 1137 CA GLN A 77 6.344 1.744 -5.290 1.00 0.00 C ATOM 1138 C GLN A 77 7.465 2.697 -4.889 1.00 0.00 C ATOM 1139 O GLN A 77 7.297 3.915 -4.915 1.00 0.00 O ATOM 1140 CB GLN A 77 5.803 2.126 -6.669 1.00 0.00 C ATOM 1141 CG GLN A 77 6.572 1.497 -7.820 1.00 0.00 C ATOM 1142 CD GLN A 77 6.524 2.336 -9.081 1.00 0.00 C ATOM 1143 OE1 GLN A 77 6.642 3.561 -9.031 1.00 0.00 O ATOM 1144 NE2 GLN A 77 6.352 1.680 -10.223 1.00 0.00 N ATOM 0 H GLN A 77 4.812 2.662 -4.193 1.00 0.00 H new ATOM 0 HA GLN A 77 6.750 0.733 -5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.757 1.827 -6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.832 3.211 -6.774 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.611 1.354 -7.523 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.161 0.509 -8.029 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.259 0.664 -10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.313 2.192 -11.104 1.00 0.00 H new ATOM 1153 N ALA A 78 8.610 2.132 -4.517 1.00 0.00 N ATOM 1154 CA ALA A 78 9.759 2.932 -4.112 1.00 0.00 C ATOM 1155 C ALA A 78 10.632 3.286 -5.311 1.00 0.00 C ATOM 1156 O ALA A 78 10.868 2.454 -6.187 1.00 0.00 O ATOM 1157 CB ALA A 78 10.575 2.190 -3.064 1.00 0.00 C ATOM 0 H ALA A 78 8.766 1.124 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 78 9.389 3.861 -3.678 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.430 2.799 -2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.953 1.993 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.927 1.246 -3.479 1.00 0.00 H new ATOM 1163 N MET A 79 11.107 4.527 -5.345 1.00 0.00 N ATOM 1164 CA MET A 79 11.954 4.990 -6.438 1.00 0.00 C ATOM 1165 C MET A 79 13.405 4.573 -6.217 1.00 0.00 C ATOM 1166 O MET A 79 14.050 5.018 -5.267 1.00 0.00 O ATOM 1167 CB MET A 79 11.864 6.512 -6.572 1.00 0.00 C ATOM 1168 CG MET A 79 10.439 7.029 -6.678 1.00 0.00 C ATOM 1169 SD MET A 79 10.363 8.760 -7.176 1.00 0.00 S ATOM 1170 CE MET A 79 9.695 9.510 -5.693 1.00 0.00 C ATOM 0 H MET A 79 10.920 5.229 -4.629 1.00 0.00 H new ATOM 0 HA MET A 79 11.598 4.529 -7.360 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.346 6.974 -5.710 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.422 6.825 -7.455 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.890 6.423 -7.399 1.00 0.00 H new ATOM 0 HG3 MET A 79 9.941 6.910 -5.716 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.589 10.584 -5.845 1.00 0.00 H new ATOM 0 HE2 MET A 79 8.719 9.076 -5.474 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.370 9.326 -4.857 1.00 0.00 H new ATOM 1180 N TRP A 80 13.910 3.717 -7.098 1.00 0.00 N ATOM 1181 CA TRP A 80 15.285 3.240 -6.997 1.00 0.00 C ATOM 1182 C TRP A 80 16.108 3.693 -8.198 1.00 0.00 C ATOM 1183 O TRP A 80 15.992 3.134 -9.288 1.00 0.00 O ATOM 1184 CB TRP A 80 15.310 1.714 -6.892 1.00 0.00 C ATOM 1185 CG TRP A 80 15.150 1.213 -5.489 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.120 1.134 -4.531 1.00 0.00 C ATOM 1187 CD2 TRP A 80 13.948 0.719 -4.888 1.00 0.00 C ATOM 1188 NE1 TRP A 80 15.593 0.621 -3.370 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.263 0.359 -3.562 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.637 0.547 -5.339 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.313 -0.163 -2.688 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 11.696 0.029 -4.469 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.037 -0.320 -3.156 1.00 0.00 C ATOM 0 H TRP A 80 13.389 3.339 -7.889 1.00 0.00 H new ATOM 0 HA TRP A 80 15.726 3.667 -6.096 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.513 1.301 -7.511 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.252 1.344 -7.297 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.150 1.431 -4.666 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.109 0.461 -2.505 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.364 0.814 -6.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 13.574 -0.434 -1.676 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 10.680 -0.109 -4.808 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.278 -0.721 -2.500 1.00 0.00 H new ATOM 1204 N GLY A 81 16.939 4.710 -7.991 1.00 0.00 N ATOM 1205 CA GLY A 81 17.769 5.220 -9.066 1.00 0.00 C ATOM 1206 C GLY A 81 17.035 5.270 -10.392 1.00 0.00 C ATOM 1207 O GLY A 81 15.941 5.827 -10.481 1.00 0.00 O ATOM 0 H GLY A 81 17.052 5.190 -7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.117 6.221 -8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 81 18.654 4.591 -9.167 1.00 0.00 H new ATOM 1211 N GLN A 82 17.639 4.688 -11.423 1.00 0.00 N ATOM 1212 CA GLN A 82 17.035 4.671 -12.750 1.00 0.00 C ATOM 1213 C GLN A 82 16.205 3.408 -12.955 1.00 0.00 C ATOM 1214 O GLN A 82 16.254 2.786 -14.016 1.00 0.00 O ATOM 1215 CB GLN A 82 18.118 4.764 -13.827 1.00 0.00 C ATOM 1216 CG GLN A 82 18.886 6.076 -13.805 1.00 0.00 C ATOM 1217 CD GLN A 82 19.840 6.212 -14.975 1.00 0.00 C ATOM 1218 OE1 GLN A 82 19.417 6.361 -16.122 1.00 0.00 O ATOM 1219 NE2 GLN A 82 21.137 6.163 -14.691 1.00 0.00 N ATOM 0 H GLN A 82 18.545 4.223 -11.365 1.00 0.00 H new ATOM 0 HA GLN A 82 16.375 5.534 -12.832 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.819 3.940 -13.698 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.656 4.639 -14.807 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.180 6.906 -13.818 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.447 6.149 -12.873 1.00 0.00 H new ATOM 0 HE21 GLN A 82 21.443 6.038 -13.726 1.00 0.00 H new ATOM 0 HE22 GLN A 82 21.826 6.250 -15.438 1.00 0.00 H new ATOM 1228 N SER A 83 15.444 3.034 -11.931 1.00 0.00 N ATOM 1229 CA SER A 83 14.606 1.842 -11.997 1.00 0.00 C ATOM 1230 C SER A 83 13.421 1.958 -11.044 1.00 0.00 C ATOM 1231 O SER A 83 13.427 2.775 -10.122 1.00 0.00 O ATOM 1232 CB SER A 83 15.427 0.596 -11.659 1.00 0.00 C ATOM 1233 OG SER A 83 16.298 0.255 -12.723 1.00 0.00 O ATOM 0 H SER A 83 15.391 3.539 -11.046 1.00 0.00 H new ATOM 0 HA SER A 83 14.225 1.752 -13.014 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.007 0.773 -10.753 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.758 -0.239 -11.451 1.00 0.00 H new ATOM 0 HG SER A 83 16.353 1.003 -13.353 1.00 0.00 H new ATOM 1239 N LEU A 84 12.403 1.135 -11.273 1.00 0.00 N ATOM 1240 CA LEU A 84 11.209 1.144 -10.436 1.00 0.00 C ATOM 1241 C LEU A 84 10.816 -0.274 -10.033 1.00 0.00 C ATOM 1242 O LEU A 84 9.992 -0.912 -10.691 1.00 0.00 O ATOM 1243 CB LEU A 84 10.050 1.817 -11.173 1.00 0.00 C ATOM 1244 CG LEU A 84 10.271 3.273 -11.584 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.294 3.673 -12.679 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.132 4.194 -10.381 1.00 0.00 C ATOM 0 H LEU A 84 12.381 0.453 -12.031 1.00 0.00 H new ATOM 0 HA LEU A 84 11.433 1.710 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.830 1.237 -12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.166 1.770 -10.538 1.00 0.00 H new ATOM 0 HG LEU A 84 11.284 3.370 -11.976 1.00 0.00 H new ATOM 0 HD11 LEU A 84 9.466 4.712 -12.959 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.442 3.034 -13.550 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.273 3.560 -12.315 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.293 5.226 -10.692 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.132 4.094 -9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.872 3.923 -9.628 1.00 0.00 H new ATOM 1258 N LEU A 85 11.408 -0.761 -8.948 1.00 0.00 N ATOM 1259 CA LEU A 85 11.118 -2.103 -8.456 1.00 0.00 C ATOM 1260 C LEU A 85 9.619 -2.385 -8.492 1.00 0.00 C ATOM 1261 O LEU A 85 8.790 -1.478 -8.414 1.00 0.00 O ATOM 1262 CB LEU A 85 11.645 -2.269 -7.029 1.00 0.00 C ATOM 1263 CG LEU A 85 13.150 -2.076 -6.843 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.564 -2.445 -5.427 1.00 0.00 C ATOM 1265 CD2 LEU A 85 13.923 -2.903 -7.860 1.00 0.00 C ATOM 0 H LEU A 85 12.092 -0.247 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 85 11.619 -2.818 -9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.126 -1.558 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.381 -3.267 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 85 13.386 -1.024 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.638 -2.301 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.036 -1.810 -4.716 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.315 -3.489 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 85 14.993 -2.753 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.683 -3.958 -7.729 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.648 -2.591 -8.867 1.00 0.00 H new ATOM 1277 N PRO A 86 9.262 -3.672 -8.613 1.00 0.00 N ATOM 1278 CA PRO A 86 7.861 -4.104 -8.660 1.00 0.00 C ATOM 1279 C PRO A 86 7.157 -3.931 -7.319 1.00 0.00 C ATOM 1280 O PRO A 86 7.459 -4.613 -6.339 1.00 0.00 O ATOM 1281 CB PRO A 86 7.960 -5.587 -9.026 1.00 0.00 C ATOM 1282 CG PRO A 86 9.307 -6.006 -8.548 1.00 0.00 C ATOM 1283 CD PRO A 86 10.197 -4.805 -8.711 1.00 0.00 C ATOM 0 HA PRO A 86 7.275 -3.515 -9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.172 -6.167 -8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.857 -5.737 -10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.269 -6.325 -7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.681 -6.850 -9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.962 -4.763 -7.935 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.716 -4.816 -9.670 1.00 0.00 H new ATOM 1291 N PRO A 87 6.193 -2.999 -7.271 1.00 0.00 N ATOM 1292 CA PRO A 87 5.425 -2.716 -6.055 1.00 0.00 C ATOM 1293 C PRO A 87 4.477 -3.854 -5.691 1.00 0.00 C ATOM 1294 O PRO A 87 4.249 -4.765 -6.487 1.00 0.00 O ATOM 1295 CB PRO A 87 4.633 -1.458 -6.420 1.00 0.00 C ATOM 1296 CG PRO A 87 4.517 -1.501 -7.905 1.00 0.00 C ATOM 1297 CD PRO A 87 5.780 -2.149 -8.401 1.00 0.00 C ATOM 0 HA PRO A 87 6.070 -2.593 -5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.651 -1.457 -5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.148 -0.556 -6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.640 -2.071 -8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.405 -0.498 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.603 -2.736 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.542 -1.409 -8.647 1.00 0.00 H new ATOM 1305 N VAL A 88 3.927 -3.796 -4.482 1.00 0.00 N ATOM 1306 CA VAL A 88 3.003 -4.821 -4.013 1.00 0.00 C ATOM 1307 C VAL A 88 1.585 -4.272 -3.900 1.00 0.00 C ATOM 1308 O VAL A 88 1.349 -3.267 -3.231 1.00 0.00 O ATOM 1309 CB VAL A 88 3.434 -5.382 -2.645 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.630 -6.310 -2.801 1.00 0.00 C ATOM 1311 CG2 VAL A 88 3.751 -4.250 -1.680 1.00 0.00 C ATOM 0 H VAL A 88 4.106 -3.050 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 88 3.022 -5.624 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 88 2.607 -5.960 -2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.920 -6.697 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.364 -7.140 -3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.464 -5.759 -3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.054 -4.665 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.561 -3.643 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.866 -3.629 -1.544 1.00 0.00 H new ATOM 1321 N SER A 89 0.643 -4.940 -4.559 1.00 0.00 N ATOM 1322 CA SER A 89 -0.752 -4.518 -4.536 1.00 0.00 C ATOM 1323 C SER A 89 -1.563 -5.375 -3.569 1.00 0.00 C ATOM 1324 O SER A 89 -1.464 -6.603 -3.576 1.00 0.00 O ATOM 1325 CB SER A 89 -1.356 -4.601 -5.939 1.00 0.00 C ATOM 1326 OG SER A 89 -1.446 -5.946 -6.376 1.00 0.00 O ATOM 0 H SER A 89 0.821 -5.776 -5.116 1.00 0.00 H new ATOM 0 HA SER A 89 -0.787 -3.484 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.347 -4.148 -5.939 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.744 -4.029 -6.636 1.00 0.00 H new ATOM 0 HG SER A 89 -1.837 -5.973 -7.274 1.00 0.00 H new ATOM 1332 N THR A 90 -2.367 -4.719 -2.738 1.00 0.00 N ATOM 1333 CA THR A 90 -3.195 -5.419 -1.764 1.00 0.00 C ATOM 1334 C THR A 90 -4.552 -4.743 -1.609 1.00 0.00 C ATOM 1335 O THR A 90 -4.640 -3.518 -1.526 1.00 0.00 O ATOM 1336 CB THR A 90 -2.507 -5.487 -0.387 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.207 -6.400 0.466 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.462 -4.112 0.263 1.00 0.00 C ATOM 0 H THR A 90 -2.462 -3.704 -2.720 1.00 0.00 H new ATOM 0 HA THR A 90 -3.338 -6.432 -2.141 1.00 0.00 H new ATOM 0 HB THR A 90 -1.485 -5.837 -0.533 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.762 -6.439 1.339 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.972 -4.184 1.234 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.904 -3.426 -0.375 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.478 -3.739 0.396 1.00 0.00 H new ATOM 1346 N SER A 91 -5.608 -5.549 -1.570 1.00 0.00 N ATOM 1347 CA SER A 91 -6.963 -5.028 -1.428 1.00 0.00 C ATOM 1348 C SER A 91 -7.398 -5.037 0.035 1.00 0.00 C ATOM 1349 O SER A 91 -7.038 -5.935 0.796 1.00 0.00 O ATOM 1350 CB SER A 91 -7.940 -5.852 -2.267 1.00 0.00 C ATOM 1351 OG SER A 91 -8.109 -7.151 -1.725 1.00 0.00 O ATOM 0 H SER A 91 -5.552 -6.565 -1.635 1.00 0.00 H new ATOM 0 HA SER A 91 -6.969 -3.998 -1.785 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.904 -5.345 -2.311 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.572 -5.927 -3.290 1.00 0.00 H new ATOM 0 HG SER A 91 -8.740 -7.657 -2.279 1.00 0.00 H new ATOM 1357 N PHE A 92 -8.175 -4.030 0.420 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.659 -3.920 1.792 1.00 0.00 C ATOM 1359 C PHE A 92 -10.013 -3.218 1.835 1.00 0.00 C ATOM 1360 O PHE A 92 -10.251 -2.255 1.106 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.649 -3.158 2.652 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.532 -1.704 2.293 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -6.649 -1.288 1.310 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -8.305 -0.753 2.940 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -6.540 0.049 0.977 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -8.200 0.585 2.612 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.315 0.987 1.630 1.00 0.00 C ATOM 0 H PHE A 92 -8.483 -3.279 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.778 -4.927 2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.938 -3.243 3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.671 -3.628 2.552 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -6.039 -2.017 0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -8.997 -1.061 3.709 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.849 0.360 0.207 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.809 1.316 3.123 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.230 2.033 1.374 1.00 0.00 H new ATOM 1377 N THR A 93 -10.900 -3.709 2.696 1.00 0.00 N ATOM 1378 CA THR A 93 -12.231 -3.131 2.835 1.00 0.00 C ATOM 1379 C THR A 93 -12.344 -2.312 4.115 1.00 0.00 C ATOM 1380 O THR A 93 -11.864 -2.722 5.173 1.00 0.00 O ATOM 1381 CB THR A 93 -13.318 -4.222 2.840 1.00 0.00 C ATOM 1382 OG1 THR A 93 -13.104 -5.132 1.755 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.704 -3.605 2.724 1.00 0.00 C ATOM 0 H THR A 93 -10.720 -4.506 3.307 1.00 0.00 H new ATOM 0 HA THR A 93 -12.384 -2.479 1.975 1.00 0.00 H new ATOM 0 HB THR A 93 -13.255 -4.762 3.785 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.798 -5.824 1.766 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.455 -4.395 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.876 -2.935 3.566 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.775 -3.043 1.793 1.00 0.00 H new ATOM 1391 N THR A 94 -12.982 -1.150 4.014 1.00 0.00 N ATOM 1392 CA THR A 94 -13.157 -0.272 5.164 1.00 0.00 C ATOM 1393 C THR A 94 -14.358 -0.696 6.002 1.00 0.00 C ATOM 1394 O THR A 94 -15.310 -1.284 5.488 1.00 0.00 O ATOM 1395 CB THR A 94 -13.342 1.194 4.729 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.339 1.279 3.705 1.00 0.00 O ATOM 1397 CG2 THR A 94 -12.032 1.776 4.218 1.00 0.00 C ATOM 0 H THR A 94 -13.386 -0.795 3.147 1.00 0.00 H new ATOM 0 HA THR A 94 -12.251 -0.354 5.764 1.00 0.00 H new ATOM 0 HB THR A 94 -13.663 1.770 5.597 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.298 2.162 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.187 2.812 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.283 1.737 5.009 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.686 1.197 3.362 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.308 -0.394 7.296 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.399 -0.752 8.183 1.00 0.00 C ATOM 1407 C GLY A 95 -16.660 0.041 7.902 1.00 0.00 C ATOM 1408 O GLY A 95 -16.775 0.688 6.862 1.00 0.00 O ATOM 0 H GLY A 95 -13.532 0.092 7.745 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.612 -1.816 8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.092 -0.587 9.216 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.610 -0.010 8.831 1.00 0.00 N ATOM 1413 CA GLY A 96 -18.857 0.712 8.658 1.00 0.00 C ATOM 1414 C GLY A 96 -19.009 1.851 9.646 1.00 0.00 C ATOM 1415 O GLY A 96 -18.459 1.806 10.747 1.00 0.00 O ATOM 0 H GLY A 96 -17.538 -0.539 9.700 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.907 1.106 7.643 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.692 0.021 8.773 1.00 0.00 H new ATOM 1419 N LEU A 97 -19.755 2.877 9.252 1.00 0.00 N ATOM 1420 CA LEU A 97 -19.977 4.036 10.111 1.00 0.00 C ATOM 1421 C LEU A 97 -20.986 3.714 11.209 1.00 0.00 C ATOM 1422 O LEU A 97 -22.174 4.012 11.081 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.470 5.223 9.282 1.00 0.00 C ATOM 1424 CG LEU A 97 -19.395 6.010 8.532 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -20.015 7.175 7.777 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.325 6.504 9.495 1.00 0.00 C ATOM 0 H LEU A 97 -20.216 2.931 8.344 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.028 4.297 10.580 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.197 4.857 8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -20.998 5.909 9.944 1.00 0.00 H new ATOM 0 HG LEU A 97 -18.924 5.345 7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.235 7.723 7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -20.742 6.797 7.058 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.513 7.841 8.481 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -17.568 7.062 8.943 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -18.780 7.153 10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -17.859 5.652 9.989 1.00 0.00 H new