USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 807 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 Single : A 3 LYS NZ :NH3+ -146:sc= -1.14 (180deg=-1.33) USER MOD Single : A 6 THR OG1 : rot -48:sc= 1.07 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -9.31! C(o=-9.3!,f=-6.2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00909 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.591 X(o=-0.59,f=-1!) USER MOD Single : A 18 ASN : amide:sc= -2.77 X(o=-2.8,f=-2.8) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -153:sc= -1.62 USER MOD Single : A 43 CYS SG : rot -59:sc= -7.42! USER MOD Single : A 44 SER OG : rot -34:sc= 1.23 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 51:sc= -2.23! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -157:sc= -9.57! (180deg=-11.9!) USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= 0.0763 (180deg=-0.00129) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 120:sc= -0.0137 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0.0592 (180deg=0.0576) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0.032) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -155:sc= -0.407 (180deg=-1.59) USER MOD Single : A 74 THR OG1 : rot -71:sc= 0.845 USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -9.62! (180deg=-11.1!) USER MOD Single : A 78 TYR OH : rot 176:sc= 1.18 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 45:sc= 0.105 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0914 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.57 K(o=-0.57,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.749 K(o=-0.75,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 171:sc= -0.0879 (180deg=-0.21) USER MOD Single : A 102 TYR OH : rot 109:sc= -4.74! USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 5.150 8.764 -1.399 1.00 0.00 N ATOM 12 CA VAL A 2 3.925 7.982 -1.298 1.00 0.00 C ATOM 13 C VAL A 2 2.708 8.857 -1.601 1.00 0.00 C ATOM 14 O VAL A 2 2.648 10.015 -1.187 1.00 0.00 O ATOM 15 CB VAL A 2 3.787 7.332 0.097 1.00 0.00 C ATOM 16 CG1 VAL A 2 2.632 6.345 0.108 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.085 6.641 0.487 1.00 0.00 C ATOM 0 HA VAL A 2 3.976 7.182 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 2 3.579 8.113 0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 2 2.547 5.895 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.706 6.866 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.813 5.565 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.974 6.187 1.472 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.320 5.868 -0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.893 7.372 0.513 1.00 0.00 H new ATOM 27 N LYS A 3 1.756 8.307 -2.352 1.00 0.00 N ATOM 28 CA LYS A 3 0.558 9.049 -2.743 1.00 0.00 C ATOM 29 C LYS A 3 -0.626 8.740 -1.850 1.00 0.00 C ATOM 30 O LYS A 3 -0.850 7.599 -1.469 1.00 0.00 O ATOM 31 CB LYS A 3 0.178 8.738 -4.187 1.00 0.00 C ATOM 32 CG LYS A 3 -0.146 9.982 -4.970 1.00 0.00 C ATOM 33 CD LYS A 3 -1.583 9.983 -5.470 1.00 0.00 C ATOM 34 CE LYS A 3 -1.716 9.263 -6.802 1.00 0.00 C ATOM 35 NZ LYS A 3 -2.672 8.124 -6.722 1.00 0.00 N ATOM 0 H LYS A 3 1.790 7.350 -2.702 1.00 0.00 H new ATOM 0 HA LYS A 3 0.802 10.106 -2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.999 8.209 -4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.682 8.069 -4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.020 10.858 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.533 10.063 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.225 9.503 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.931 11.011 -5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.052 9.967 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.739 8.896 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.352 7.358 -7.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.716 7.776 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.617 8.442 -7.019 1.00 0.00 H new ATOM 49 N ILE A 4 -1.389 9.775 -1.538 1.00 0.00 N ATOM 50 CA ILE A 4 -2.575 9.626 -0.704 1.00 0.00 C ATOM 51 C ILE A 4 -3.815 10.082 -1.462 1.00 0.00 C ATOM 52 O ILE A 4 -3.975 11.268 -1.750 1.00 0.00 O ATOM 53 CB ILE A 4 -2.456 10.431 0.605 1.00 0.00 C ATOM 54 CG1 ILE A 4 -1.131 10.116 1.303 1.00 0.00 C ATOM 55 CG2 ILE A 4 -3.632 10.126 1.522 1.00 0.00 C ATOM 56 CD1 ILE A 4 -0.957 10.832 2.626 1.00 0.00 C ATOM 0 H ILE A 4 -1.210 10.730 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.663 8.569 -0.452 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.474 11.494 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.065 9.041 1.470 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.308 10.387 0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.534 10.702 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.562 10.396 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.642 9.062 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.004 10.561 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.991 11.909 2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.759 10.542 3.305 1.00 0.00 H new ATOM 68 N VAL A 5 -4.685 9.135 -1.796 1.00 0.00 N ATOM 69 CA VAL A 5 -5.894 9.440 -2.531 1.00 0.00 C ATOM 70 C VAL A 5 -7.053 9.766 -1.585 1.00 0.00 C ATOM 71 O VAL A 5 -7.018 9.411 -0.406 1.00 0.00 O ATOM 72 CB VAL A 5 -6.268 8.265 -3.464 1.00 0.00 C ATOM 73 CG1 VAL A 5 -5.031 7.474 -3.866 1.00 0.00 C ATOM 74 CG2 VAL A 5 -7.295 7.335 -2.828 1.00 0.00 C ATOM 0 H VAL A 5 -4.569 8.148 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.703 10.324 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 5 -6.717 8.701 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.321 6.653 -4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.335 8.129 -4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.550 7.073 -2.974 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.528 6.524 -3.518 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.888 6.920 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.204 7.894 -2.605 1.00 0.00 H new ATOM 84 N THR A 6 -8.073 10.449 -2.102 1.00 0.00 N ATOM 85 CA THR A 6 -9.227 10.823 -1.290 1.00 0.00 C ATOM 86 C THR A 6 -10.544 10.312 -1.880 1.00 0.00 C ATOM 87 O THR A 6 -11.619 10.699 -1.423 1.00 0.00 O ATOM 88 CB THR A 6 -9.319 12.351 -1.125 1.00 0.00 C ATOM 89 OG1 THR A 6 -10.486 12.694 -0.368 1.00 0.00 O ATOM 90 CG2 THR A 6 -9.370 13.040 -2.481 1.00 0.00 C ATOM 0 H THR A 6 -8.123 10.753 -3.074 1.00 0.00 H new ATOM 0 HA THR A 6 -9.076 10.354 -0.318 1.00 0.00 H new ATOM 0 HB THR A 6 -8.429 12.690 -0.595 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.262 12.215 -0.728 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.435 14.119 -2.339 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.468 12.802 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.244 12.694 -3.032 1.00 0.00 H new ATOM 98 N SER A 7 -10.465 9.442 -2.886 1.00 0.00 N ATOM 99 CA SER A 7 -11.669 8.895 -3.506 1.00 0.00 C ATOM 100 C SER A 7 -11.589 7.375 -3.607 1.00 0.00 C ATOM 101 O SER A 7 -10.501 6.802 -3.658 1.00 0.00 O ATOM 102 CB SER A 7 -11.882 9.501 -4.896 1.00 0.00 C ATOM 103 OG SER A 7 -13.252 9.781 -5.125 1.00 0.00 O ATOM 0 H SER A 7 -9.589 9.104 -3.285 1.00 0.00 H new ATOM 0 HA SER A 7 -12.518 9.155 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.300 10.418 -4.990 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.516 8.812 -5.657 1.00 0.00 H new ATOM 0 HG SER A 7 -13.362 10.169 -6.018 1.00 0.00 H new ATOM 109 N GLN A 8 -12.751 6.728 -3.628 1.00 0.00 N ATOM 110 CA GLN A 8 -12.814 5.270 -3.716 1.00 0.00 C ATOM 111 C GLN A 8 -12.378 4.785 -5.096 1.00 0.00 C ATOM 112 O GLN A 8 -11.532 3.899 -5.213 1.00 0.00 O ATOM 113 CB GLN A 8 -14.240 4.787 -3.395 1.00 0.00 C ATOM 114 CG GLN A 8 -14.719 3.621 -4.248 1.00 0.00 C ATOM 115 CD GLN A 8 -13.828 2.394 -4.147 1.00 0.00 C ATOM 116 OE1 GLN A 8 -13.933 1.474 -4.958 1.00 0.00 O ATOM 117 NE2 GLN A 8 -12.944 2.368 -3.153 1.00 0.00 N ATOM 0 H GLN A 8 -13.660 7.188 -3.585 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.125 4.849 -2.984 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.283 4.495 -2.346 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.930 5.621 -3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.731 3.352 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.770 3.939 -5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.887 3.150 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.323 1.566 -3.043 1.00 0.00 H new ATOM 126 N SER A 9 -12.947 5.379 -6.133 1.00 0.00 N ATOM 127 CA SER A 9 -12.605 5.015 -7.499 1.00 0.00 C ATOM 128 C SER A 9 -11.138 5.320 -7.763 1.00 0.00 C ATOM 129 O SER A 9 -10.466 4.596 -8.492 1.00 0.00 O ATOM 130 CB SER A 9 -13.488 5.772 -8.493 1.00 0.00 C ATOM 131 OG SER A 9 -13.673 7.118 -8.090 1.00 0.00 O ATOM 0 H SER A 9 -13.648 6.116 -6.055 1.00 0.00 H new ATOM 0 HA SER A 9 -12.777 3.947 -7.630 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.032 5.745 -9.483 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.456 5.277 -8.574 1.00 0.00 H new ATOM 0 HG SER A 9 -14.239 7.580 -8.743 1.00 0.00 H new ATOM 137 N GLU A 10 -10.647 6.394 -7.152 1.00 0.00 N ATOM 138 CA GLU A 10 -9.254 6.789 -7.310 1.00 0.00 C ATOM 139 C GLU A 10 -8.329 5.678 -6.827 1.00 0.00 C ATOM 140 O GLU A 10 -7.316 5.384 -7.461 1.00 0.00 O ATOM 141 CB GLU A 10 -8.973 8.079 -6.538 1.00 0.00 C ATOM 142 CG GLU A 10 -7.796 8.871 -7.086 1.00 0.00 C ATOM 143 CD GLU A 10 -8.219 10.183 -7.717 1.00 0.00 C ATOM 144 OE1 GLU A 10 -9.147 10.169 -8.552 1.00 0.00 O ATOM 145 OE2 GLU A 10 -7.621 11.226 -7.376 1.00 0.00 O ATOM 0 H GLU A 10 -11.193 7.004 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.065 6.967 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.864 8.707 -6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.780 7.833 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.090 9.071 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.271 8.268 -7.827 1.00 0.00 H new ATOM 152 N PHE A 11 -8.688 5.056 -5.706 1.00 0.00 N ATOM 153 CA PHE A 11 -7.885 3.971 -5.154 1.00 0.00 C ATOM 154 C PHE A 11 -7.902 2.785 -6.096 1.00 0.00 C ATOM 155 O PHE A 11 -6.858 2.261 -6.471 1.00 0.00 O ATOM 156 CB PHE A 11 -8.449 3.559 -3.790 1.00 0.00 C ATOM 157 CG PHE A 11 -8.222 2.124 -3.423 1.00 0.00 C ATOM 158 CD1 PHE A 11 -6.946 1.599 -3.353 1.00 0.00 C ATOM 159 CD2 PHE A 11 -9.296 1.309 -3.130 1.00 0.00 C ATOM 160 CE1 PHE A 11 -6.748 0.282 -2.991 1.00 0.00 C ATOM 161 CE2 PHE A 11 -9.110 -0.007 -2.772 1.00 0.00 C ATOM 162 CZ PHE A 11 -7.836 -0.522 -2.699 1.00 0.00 C ATOM 0 H PHE A 11 -9.523 5.283 -5.167 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.857 4.311 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -8.002 4.191 -3.022 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.521 3.756 -3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.096 2.224 -3.584 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -10.298 1.710 -3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.747 -0.120 -2.936 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.961 -0.633 -2.549 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.685 -1.553 -2.414 1.00 0.00 H new ATOM 172 N ASP A 12 -9.101 2.386 -6.478 1.00 0.00 N ATOM 173 CA ASP A 12 -9.282 1.265 -7.391 1.00 0.00 C ATOM 174 C ASP A 12 -8.747 1.602 -8.778 1.00 0.00 C ATOM 175 O ASP A 12 -8.333 0.718 -9.527 1.00 0.00 O ATOM 176 CB ASP A 12 -10.760 0.917 -7.494 1.00 0.00 C ATOM 177 CG ASP A 12 -11.267 0.152 -6.287 1.00 0.00 C ATOM 178 OD1 ASP A 12 -10.558 0.126 -5.259 1.00 0.00 O ATOM 179 OD2 ASP A 12 -12.373 -0.422 -6.370 1.00 0.00 O ATOM 0 H ASP A 12 -9.970 2.822 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.727 0.413 -6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.338 1.834 -7.607 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.927 0.323 -8.392 1.00 0.00 H new ATOM 184 N SER A 13 -8.770 2.886 -9.115 1.00 0.00 N ATOM 185 CA SER A 13 -8.299 3.341 -10.415 1.00 0.00 C ATOM 186 C SER A 13 -6.809 3.125 -10.552 1.00 0.00 C ATOM 187 O SER A 13 -6.333 2.641 -11.579 1.00 0.00 O ATOM 188 CB SER A 13 -8.621 4.820 -10.619 1.00 0.00 C ATOM 189 OG SER A 13 -8.227 5.255 -11.909 1.00 0.00 O ATOM 0 H SER A 13 -9.110 3.630 -8.505 1.00 0.00 H new ATOM 0 HA SER A 13 -8.813 2.756 -11.178 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.691 4.984 -10.488 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.112 5.414 -9.860 1.00 0.00 H new ATOM 0 HG SER A 13 -8.445 6.204 -12.015 1.00 0.00 H new ATOM 195 N ILE A 14 -6.074 3.478 -9.512 1.00 0.00 N ATOM 196 CA ILE A 14 -4.632 3.308 -9.531 1.00 0.00 C ATOM 197 C ILE A 14 -4.273 1.841 -9.703 1.00 0.00 C ATOM 198 O ILE A 14 -3.294 1.492 -10.362 1.00 0.00 O ATOM 199 CB ILE A 14 -4.002 3.826 -8.228 1.00 0.00 C ATOM 200 CG1 ILE A 14 -4.172 5.341 -8.125 1.00 0.00 C ATOM 201 CG2 ILE A 14 -2.529 3.445 -8.153 1.00 0.00 C ATOM 202 CD1 ILE A 14 -4.702 5.795 -6.787 1.00 0.00 C ATOM 0 H ILE A 14 -6.447 3.880 -8.652 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.242 3.882 -10.371 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.515 3.360 -7.387 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.210 5.820 -8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.850 5.677 -8.909 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.103 3.821 -7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.432 2.360 -8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.997 3.881 -8.999 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.798 6.881 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.678 5.344 -6.610 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.013 5.489 -6.000 1.00 0.00 H new ATOM 214 N ILE A 15 -5.067 0.998 -9.072 1.00 0.00 N ATOM 215 CA ILE A 15 -4.848 -0.446 -9.102 1.00 0.00 C ATOM 216 C ILE A 15 -4.860 -1.013 -10.530 1.00 0.00 C ATOM 217 O ILE A 15 -4.041 -1.863 -10.876 1.00 0.00 O ATOM 218 CB ILE A 15 -5.909 -1.171 -8.241 1.00 0.00 C ATOM 219 CG1 ILE A 15 -6.046 -0.464 -6.907 1.00 0.00 C ATOM 220 CG2 ILE A 15 -5.520 -2.620 -7.993 1.00 0.00 C ATOM 221 CD1 ILE A 15 -4.749 -0.418 -6.147 1.00 0.00 C ATOM 0 H ILE A 15 -5.879 1.286 -8.526 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.856 -0.623 -8.688 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.855 -1.151 -8.782 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.403 0.552 -7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.799 -0.973 -6.305 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.285 -3.103 -7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.431 -3.141 -8.946 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.565 -2.656 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.901 0.098 -5.199 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.403 -1.434 -5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.002 0.115 -6.735 1.00 0.00 H new ATOM 233 N SER A 16 -5.815 -0.559 -11.339 1.00 0.00 N ATOM 234 CA SER A 16 -5.977 -1.039 -12.722 1.00 0.00 C ATOM 235 C SER A 16 -5.127 -0.293 -13.768 1.00 0.00 C ATOM 236 O SER A 16 -4.878 -0.819 -14.852 1.00 0.00 O ATOM 237 CB SER A 16 -7.452 -0.961 -13.122 1.00 0.00 C ATOM 238 OG SER A 16 -8.091 -2.215 -12.956 1.00 0.00 O ATOM 0 H SER A 16 -6.497 0.147 -11.063 1.00 0.00 H new ATOM 0 HA SER A 16 -5.616 -2.068 -12.720 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.957 -0.209 -12.516 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.534 -0.642 -14.161 1.00 0.00 H new ATOM 0 HG SER A 16 -9.033 -2.139 -13.216 1.00 0.00 H new ATOM 244 N GLN A 17 -4.745 0.944 -13.475 1.00 0.00 N ATOM 245 CA GLN A 17 -3.996 1.776 -14.435 1.00 0.00 C ATOM 246 C GLN A 17 -2.486 1.530 -14.423 1.00 0.00 C ATOM 247 O GLN A 17 -1.724 2.317 -14.985 1.00 0.00 O ATOM 248 CB GLN A 17 -4.268 3.250 -14.159 1.00 0.00 C ATOM 249 CG GLN A 17 -5.054 3.947 -15.255 1.00 0.00 C ATOM 250 CD GLN A 17 -6.137 3.078 -15.869 1.00 0.00 C ATOM 251 OE1 GLN A 17 -5.912 2.398 -16.869 1.00 0.00 O ATOM 252 NE2 GLN A 17 -7.323 3.098 -15.269 1.00 0.00 N ATOM 0 H GLN A 17 -4.937 1.401 -12.584 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.350 1.490 -15.425 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.815 3.339 -13.221 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.317 3.766 -14.023 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.511 4.849 -14.847 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.366 4.265 -16.039 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.466 3.677 -14.441 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.090 2.535 -15.636 1.00 0.00 H new ATOM 261 N ASN A 18 -2.055 0.456 -13.789 1.00 0.00 N ATOM 262 CA ASN A 18 -0.633 0.139 -13.715 1.00 0.00 C ATOM 263 C ASN A 18 -0.401 -1.368 -13.610 1.00 0.00 C ATOM 264 O ASN A 18 -1.267 -2.108 -13.144 1.00 0.00 O ATOM 265 CB ASN A 18 -0.006 0.856 -12.519 1.00 0.00 C ATOM 266 CG ASN A 18 -0.268 2.349 -12.541 1.00 0.00 C ATOM 267 OD1 ASN A 18 0.565 3.131 -12.998 1.00 0.00 O ATOM 268 ND2 ASN A 18 -1.432 2.752 -12.044 1.00 0.00 N ATOM 0 H ASN A 18 -2.664 -0.213 -13.317 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.159 0.483 -14.634 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.403 0.433 -11.596 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.069 0.678 -12.515 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.665 3.745 -12.031 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.093 2.068 -11.675 1.00 0.00 H new ATOM 275 N GLU A 19 0.777 -1.813 -14.046 1.00 0.00 N ATOM 276 CA GLU A 19 1.127 -3.231 -14.001 1.00 0.00 C ATOM 277 C GLU A 19 1.291 -3.699 -12.566 1.00 0.00 C ATOM 278 O GLU A 19 0.720 -4.714 -12.175 1.00 0.00 O ATOM 279 CB GLU A 19 2.411 -3.491 -14.791 1.00 0.00 C ATOM 280 CG GLU A 19 2.579 -4.941 -15.217 1.00 0.00 C ATOM 281 CD GLU A 19 4.016 -5.284 -15.560 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.447 -4.973 -16.689 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.709 -5.866 -14.698 1.00 0.00 O ATOM 0 H GLU A 19 1.504 -1.212 -14.434 1.00 0.00 H new ATOM 0 HA GLU A 19 0.314 -3.796 -14.458 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.417 -2.857 -15.678 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.267 -3.198 -14.184 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.235 -5.594 -14.415 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.946 -5.138 -16.082 1.00 0.00 H new ATOM 290 N LEU A 20 2.053 -2.954 -11.775 1.00 0.00 N ATOM 291 CA LEU A 20 2.252 -3.308 -10.386 1.00 0.00 C ATOM 292 C LEU A 20 1.922 -2.111 -9.521 1.00 0.00 C ATOM 293 O LEU A 20 2.387 -1.001 -9.779 1.00 0.00 O ATOM 294 CB LEU A 20 3.695 -3.754 -10.153 1.00 0.00 C ATOM 295 CG LEU A 20 3.936 -4.756 -9.011 1.00 0.00 C ATOM 296 CD1 LEU A 20 2.704 -5.607 -8.721 1.00 0.00 C ATOM 297 CD2 LEU A 20 5.123 -5.647 -9.347 1.00 0.00 C ATOM 0 H LEU A 20 2.538 -2.108 -12.074 1.00 0.00 H new ATOM 0 HA LEU A 20 1.596 -4.137 -10.123 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.067 -4.196 -11.077 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.298 -2.867 -9.959 1.00 0.00 H new ATOM 0 HG LEU A 20 4.151 -4.182 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.923 -6.299 -7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.875 -4.961 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.433 -6.171 -9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.289 -6.354 -8.534 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.919 -6.193 -10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.013 -5.032 -9.480 1.00 0.00 H new ATOM 309 N VAL A 21 1.106 -2.331 -8.507 1.00 0.00 N ATOM 310 CA VAL A 21 0.711 -1.246 -7.630 1.00 0.00 C ATOM 311 C VAL A 21 0.758 -1.657 -6.181 1.00 0.00 C ATOM 312 O VAL A 21 0.103 -2.614 -5.775 1.00 0.00 O ATOM 313 CB VAL A 21 -0.705 -0.719 -7.960 1.00 0.00 C ATOM 314 CG1 VAL A 21 -0.943 0.620 -7.279 1.00 0.00 C ATOM 315 CG2 VAL A 21 -0.892 -0.597 -9.463 1.00 0.00 C ATOM 0 H VAL A 21 0.708 -3.240 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 21 1.431 -0.445 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.437 -1.433 -7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.944 0.978 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.851 0.501 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.205 1.342 -7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.894 -0.225 -9.676 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.154 0.096 -9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.762 -1.575 -9.926 1.00 0.00 H new ATOM 325 N ILE A 22 1.510 -0.910 -5.388 1.00 0.00 N ATOM 326 CA ILE A 22 1.588 -1.209 -3.974 1.00 0.00 C ATOM 327 C ILE A 22 0.921 -0.095 -3.203 1.00 0.00 C ATOM 328 O ILE A 22 1.251 1.081 -3.352 1.00 0.00 O ATOM 329 CB ILE A 22 3.041 -1.400 -3.496 1.00 0.00 C ATOM 330 CG1 ILE A 22 3.113 -1.484 -1.965 1.00 0.00 C ATOM 331 CG2 ILE A 22 3.925 -0.281 -4.018 1.00 0.00 C ATOM 332 CD1 ILE A 22 3.121 -2.902 -1.437 1.00 0.00 C ATOM 0 H ILE A 22 2.063 -0.109 -5.694 1.00 0.00 H new ATOM 0 HA ILE A 22 1.074 -2.153 -3.794 1.00 0.00 H new ATOM 0 HB ILE A 22 3.408 -2.344 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.013 -0.973 -1.623 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.262 -0.951 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.947 -0.432 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.908 -0.282 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.555 0.676 -3.651 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.173 -2.885 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.209 -3.411 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.987 -3.433 -1.833 1.00 0.00 H new ATOM 344 N VAL A 23 -0.034 -0.489 -2.388 1.00 0.00 N ATOM 345 CA VAL A 23 -0.788 0.450 -1.585 1.00 0.00 C ATOM 346 C VAL A 23 -0.892 -0.042 -0.163 1.00 0.00 C ATOM 347 O VAL A 23 -1.051 -1.238 0.083 1.00 0.00 O ATOM 348 CB VAL A 23 -2.203 0.677 -2.154 1.00 0.00 C ATOM 349 CG1 VAL A 23 -2.973 -0.630 -2.218 1.00 0.00 C ATOM 350 CG2 VAL A 23 -2.956 1.708 -1.324 1.00 0.00 C ATOM 0 H VAL A 23 -0.309 -1.463 -2.264 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.254 1.400 -1.607 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.105 1.062 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.968 -0.446 -2.622 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.444 -1.333 -2.861 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.060 -1.050 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.952 1.854 -1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.042 1.355 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.414 2.654 -1.339 1.00 0.00 H new ATOM 360 N ASP A 24 -0.803 0.876 0.772 1.00 0.00 N ATOM 361 CA ASP A 24 -0.891 0.519 2.168 1.00 0.00 C ATOM 362 C ASP A 24 -2.183 1.001 2.786 1.00 0.00 C ATOM 363 O ASP A 24 -2.380 2.197 2.992 1.00 0.00 O ATOM 364 CB ASP A 24 0.277 1.101 2.956 1.00 0.00 C ATOM 365 CG ASP A 24 0.477 2.572 2.680 1.00 0.00 C ATOM 366 OD1 ASP A 24 0.099 3.024 1.580 1.00 0.00 O ATOM 367 OD2 ASP A 24 1.015 3.274 3.562 1.00 0.00 O ATOM 0 H ASP A 24 -0.670 1.871 0.592 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.859 -0.570 2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.103 0.954 4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.189 0.559 2.704 1.00 0.00 H new ATOM 372 N PHE A 25 -3.024 0.055 3.155 1.00 0.00 N ATOM 373 CA PHE A 25 -4.251 0.380 3.839 1.00 0.00 C ATOM 374 C PHE A 25 -3.821 0.504 5.283 1.00 0.00 C ATOM 375 O PHE A 25 -3.326 -0.456 5.874 1.00 0.00 O ATOM 376 CB PHE A 25 -5.273 -0.739 3.607 1.00 0.00 C ATOM 377 CG PHE A 25 -5.441 -1.060 2.142 1.00 0.00 C ATOM 378 CD1 PHE A 25 -6.023 -0.143 1.282 1.00 0.00 C ATOM 379 CD2 PHE A 25 -4.991 -2.263 1.620 1.00 0.00 C ATOM 380 CE1 PHE A 25 -6.159 -0.420 -0.067 1.00 0.00 C ATOM 381 CE2 PHE A 25 -5.118 -2.547 0.268 1.00 0.00 C ATOM 382 CZ PHE A 25 -5.704 -1.625 -0.581 1.00 0.00 C ATOM 0 H PHE A 25 -2.877 -0.941 2.991 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.740 1.291 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.956 -1.635 4.140 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.235 -0.443 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.376 0.801 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.535 -2.990 2.276 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.621 0.304 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.759 -3.488 -0.122 1.00 0.00 H new ATOM 0 HZ PHE A 25 -5.806 -1.842 -1.634 1.00 0.00 H new ATOM 392 N PHE A 26 -3.886 1.721 5.807 1.00 0.00 N ATOM 393 CA PHE A 26 -3.367 1.985 7.134 1.00 0.00 C ATOM 394 C PHE A 26 -4.386 2.917 7.970 1.00 0.00 C ATOM 395 O PHE A 26 -5.401 3.292 7.382 1.00 0.00 O ATOM 396 CB PHE A 26 -2.016 2.719 7.028 1.00 0.00 C ATOM 397 CG PHE A 26 -2.164 4.132 6.506 1.00 0.00 C ATOM 398 CD1 PHE A 26 -2.668 4.361 5.231 1.00 0.00 C ATOM 399 CD2 PHE A 26 -1.825 5.230 7.291 1.00 0.00 C ATOM 400 CE1 PHE A 26 -2.831 5.647 4.747 1.00 0.00 C ATOM 401 CE2 PHE A 26 -1.987 6.517 6.809 1.00 0.00 C ATOM 402 CZ PHE A 26 -2.490 6.727 5.539 1.00 0.00 C ATOM 0 H PHE A 26 -4.289 2.531 5.336 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.243 1.030 7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -1.542 2.745 8.009 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.353 2.159 6.369 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.937 3.521 4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.432 5.076 8.285 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.223 5.806 3.754 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.719 7.361 7.428 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.616 7.733 5.166 1.00 0.00 H new ATOM 412 N ALA A 27 -4.161 3.369 9.302 1.00 0.00 N ATOM 413 CA ALA A 27 -5.110 4.245 9.963 1.00 0.00 C ATOM 414 C ALA A 27 -4.281 5.236 10.845 1.00 0.00 C ATOM 415 O ALA A 27 -3.271 4.861 11.434 1.00 0.00 O ATOM 416 CB ALA A 27 -6.172 3.377 10.713 1.00 0.00 C ATOM 0 H ALA A 27 -3.348 3.119 9.864 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.698 4.857 9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.888 4.030 11.212 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.696 2.744 9.997 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.673 2.752 11.454 1.00 0.00 H new ATOM 422 N GLU A 28 -4.665 6.513 10.806 1.00 0.00 N ATOM 423 CA GLU A 28 -3.955 7.686 11.483 1.00 0.00 C ATOM 424 C GLU A 28 -3.608 7.708 13.116 1.00 0.00 C ATOM 425 O GLU A 28 -3.100 8.750 13.527 1.00 0.00 O ATOM 426 CB GLU A 28 -4.909 8.866 11.328 1.00 0.00 C ATOM 427 CG GLU A 28 -4.201 10.183 11.510 1.00 0.00 C ATOM 428 CD GLU A 28 -5.021 11.195 12.287 1.00 0.00 C ATOM 429 OE1 GLU A 28 -6.249 10.997 12.406 1.00 0.00 O ATOM 430 OE2 GLU A 28 -4.436 12.183 12.778 1.00 0.00 O ATOM 0 H GLU A 28 -5.499 6.806 10.297 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.977 7.664 11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.370 8.834 10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.714 8.782 12.058 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.257 10.013 12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.957 10.596 10.531 1.00 0.00 H new ATOM 437 N TRP A 29 -3.934 6.720 14.104 1.00 0.00 N ATOM 438 CA TRP A 29 -3.703 6.938 15.597 1.00 0.00 C ATOM 439 C TRP A 29 -2.606 5.898 16.120 1.00 0.00 C ATOM 440 O TRP A 29 -2.423 5.859 17.337 1.00 0.00 O ATOM 441 CB TRP A 29 -5.219 6.794 16.257 1.00 0.00 C ATOM 442 CG TRP A 29 -6.252 5.684 15.718 1.00 0.00 C ATOM 443 CD1 TRP A 29 -7.480 5.730 14.864 1.00 0.00 C ATOM 444 CD2 TRP A 29 -6.220 4.306 16.160 1.00 0.00 C ATOM 445 NE1 TRP A 29 -7.930 4.445 14.665 1.00 0.00 N ATOM 446 CE2 TRP A 29 -7.210 3.578 15.439 1.00 0.00 C ATOM 447 CE3 TRP A 29 -5.394 3.593 17.051 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -7.371 2.202 15.580 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -5.581 2.230 17.195 1.00 0.00 C ATOM 450 CH2 TRP A 29 -6.548 1.546 16.451 1.00 0.00 C ATOM 0 H TRP A 29 -4.339 5.812 13.877 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.286 7.906 15.876 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.088 6.617 17.325 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.707 7.763 16.152 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -7.938 6.625 14.469 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.687 4.179 14.035 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.626 4.103 17.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.124 1.669 15.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.968 1.683 17.896 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.646 0.477 16.568 1.00 0.00 H new ATOM 461 N CYS A 30 -1.862 4.990 15.277 1.00 0.00 N ATOM 462 CA CYS A 30 -0.931 4.071 15.905 1.00 0.00 C ATOM 463 C CYS A 30 0.526 4.474 15.652 1.00 0.00 C ATOM 464 O CYS A 30 0.817 5.245 14.736 1.00 0.00 O ATOM 465 CB CYS A 30 -1.230 2.653 15.388 1.00 0.00 C ATOM 466 SG CYS A 30 -0.293 2.136 13.905 1.00 0.00 S ATOM 0 H CYS A 30 -1.930 4.932 14.261 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.064 4.100 16.986 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.026 1.943 16.190 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.295 2.584 15.165 1.00 0.00 H new ATOM 471 N GLY A 31 1.433 3.952 16.483 1.00 0.00 N ATOM 472 CA GLY A 31 2.849 4.263 16.348 1.00 0.00 C ATOM 473 C GLY A 31 3.480 3.693 15.085 1.00 0.00 C ATOM 474 O GLY A 31 4.172 4.413 14.364 1.00 0.00 O ATOM 0 H GLY A 31 1.209 3.317 17.249 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.977 5.345 16.351 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.382 3.876 17.217 1.00 0.00 H new ATOM 478 N PRO A 32 3.260 2.397 14.783 1.00 0.00 N ATOM 479 CA PRO A 32 3.823 1.753 13.585 1.00 0.00 C ATOM 480 C PRO A 32 3.248 2.326 12.298 1.00 0.00 C ATOM 481 O PRO A 32 3.843 2.190 11.230 1.00 0.00 O ATOM 482 CB PRO A 32 3.408 0.289 13.728 1.00 0.00 C ATOM 483 CG PRO A 32 2.214 0.325 14.618 1.00 0.00 C ATOM 484 CD PRO A 32 2.451 1.456 15.576 1.00 0.00 C ATOM 0 HA PRO A 32 4.901 1.903 13.521 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.169 -0.152 12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.209 -0.310 14.162 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.302 0.485 14.043 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.094 -0.619 15.150 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.516 1.907 15.907 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.979 1.124 16.470 1.00 0.00 H new ATOM 492 N CYS A 33 2.082 2.960 12.397 1.00 0.00 N ATOM 493 CA CYS A 33 1.444 3.528 11.225 1.00 0.00 C ATOM 494 C CYS A 33 2.371 4.566 10.590 1.00 0.00 C ATOM 495 O CYS A 33 2.749 4.450 9.425 1.00 0.00 O ATOM 496 CB CYS A 33 0.114 4.191 11.635 1.00 0.00 C ATOM 497 SG CYS A 33 -1.164 3.061 12.313 1.00 0.00 S ATOM 0 H CYS A 33 1.569 3.090 13.269 1.00 0.00 H new ATOM 0 HA CYS A 33 1.242 2.739 10.500 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.326 4.958 12.380 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.301 4.698 10.764 1.00 0.00 H new ATOM 502 N LYS A 34 2.766 5.552 11.387 1.00 0.00 N ATOM 503 CA LYS A 34 3.697 6.591 10.949 1.00 0.00 C ATOM 504 C LYS A 34 5.115 6.042 10.770 1.00 0.00 C ATOM 505 O LYS A 34 5.882 6.502 9.926 1.00 0.00 O ATOM 506 CB LYS A 34 3.709 7.746 11.951 1.00 0.00 C ATOM 507 CG LYS A 34 3.935 9.106 11.308 1.00 0.00 C ATOM 508 CD LYS A 34 2.805 10.072 11.629 1.00 0.00 C ATOM 509 CE LYS A 34 3.331 11.469 11.914 1.00 0.00 C ATOM 510 NZ LYS A 34 3.777 11.620 13.328 1.00 0.00 N ATOM 0 H LYS A 34 2.453 5.656 12.352 1.00 0.00 H new ATOM 0 HA LYS A 34 3.353 6.954 9.980 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.761 7.760 12.488 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.491 7.568 12.689 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.880 9.522 11.657 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.018 8.989 10.228 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.107 10.108 10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.248 9.708 12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.164 11.686 11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.552 12.200 11.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.128 12.587 13.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.976 11.438 13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.538 10.940 13.526 1.00 0.00 H new ATOM 524 N ARG A 35 5.454 5.092 11.638 1.00 0.00 N ATOM 525 CA ARG A 35 6.783 4.479 11.695 1.00 0.00 C ATOM 526 C ARG A 35 7.167 3.728 10.430 1.00 0.00 C ATOM 527 O ARG A 35 8.353 3.578 10.136 1.00 0.00 O ATOM 528 CB ARG A 35 6.877 3.548 12.905 1.00 0.00 C ATOM 529 CG ARG A 35 7.783 4.081 14.002 1.00 0.00 C ATOM 530 CD ARG A 35 8.184 2.990 14.980 1.00 0.00 C ATOM 531 NE ARG A 35 8.212 3.477 16.357 1.00 0.00 N ATOM 532 CZ ARG A 35 8.974 2.957 17.317 1.00 0.00 C ATOM 533 NH1 ARG A 35 9.768 1.924 17.060 1.00 0.00 N ATOM 534 NH2 ARG A 35 8.941 3.470 18.539 1.00 0.00 N ATOM 0 H ARG A 35 4.806 4.720 12.332 1.00 0.00 H new ATOM 0 HA ARG A 35 7.494 5.299 11.791 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.878 3.390 13.312 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.246 2.575 12.579 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.677 4.516 13.556 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.273 4.881 14.539 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.484 2.158 14.903 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.168 2.605 14.711 1.00 0.00 H new ATOM 0 HE ARG A 35 7.610 4.265 16.598 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.797 1.524 16.122 1.00 0.00 H new ATOM 0 HH12 ARG A 35 10.349 1.531 17.800 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.332 4.262 18.743 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.524 3.072 19.275 1.00 0.00 H new ATOM 548 N ILE A 36 6.187 3.240 9.690 1.00 0.00 N ATOM 549 CA ILE A 36 6.480 2.502 8.478 1.00 0.00 C ATOM 550 C ILE A 36 6.718 3.459 7.308 1.00 0.00 C ATOM 551 O ILE A 36 7.260 3.067 6.278 1.00 0.00 O ATOM 552 CB ILE A 36 5.345 1.511 8.129 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.817 0.477 7.099 1.00 0.00 C ATOM 554 CG2 ILE A 36 4.115 2.236 7.611 1.00 0.00 C ATOM 555 CD1 ILE A 36 7.142 -0.165 7.422 1.00 0.00 C ATOM 0 H ILE A 36 5.195 3.340 9.904 1.00 0.00 H new ATOM 0 HA ILE A 36 7.389 1.927 8.657 1.00 0.00 H new ATOM 0 HB ILE A 36 5.074 0.992 9.049 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.061 -0.303 7.013 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.889 0.960 6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.337 1.510 7.375 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.750 2.924 8.374 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.374 2.795 6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.399 -0.882 6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.914 0.602 7.478 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.073 -0.680 8.380 1.00 0.00 H new ATOM 567 N ALA A 37 6.305 4.718 7.487 1.00 0.00 N ATOM 568 CA ALA A 37 6.454 5.752 6.463 1.00 0.00 C ATOM 569 C ALA A 37 7.919 6.006 6.089 1.00 0.00 C ATOM 570 O ALA A 37 8.259 6.059 4.907 1.00 0.00 O ATOM 571 CB ALA A 37 5.808 7.045 6.937 1.00 0.00 C ATOM 0 H ALA A 37 5.860 5.046 8.344 1.00 0.00 H new ATOM 0 HA ALA A 37 5.952 5.391 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.922 7.811 6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.748 6.875 7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.290 7.377 7.856 1.00 0.00 H new ATOM 577 N PRO A 38 8.807 6.190 7.087 1.00 0.00 N ATOM 578 CA PRO A 38 10.228 6.462 6.836 1.00 0.00 C ATOM 579 C PRO A 38 10.851 5.442 5.893 1.00 0.00 C ATOM 580 O PRO A 38 11.533 5.810 4.936 1.00 0.00 O ATOM 581 CB PRO A 38 10.859 6.356 8.224 1.00 0.00 C ATOM 582 CG PRO A 38 9.755 6.678 9.169 1.00 0.00 C ATOM 583 CD PRO A 38 8.491 6.178 8.523 1.00 0.00 C ATOM 0 HA PRO A 38 10.380 7.428 6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.254 5.356 8.403 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.690 7.052 8.335 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.916 6.197 10.134 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.700 7.751 9.353 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.234 5.177 8.868 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.642 6.822 8.752 1.00 0.00 H new ATOM 591 N PHE A 39 10.589 4.163 6.135 1.00 0.00 N ATOM 592 CA PHE A 39 11.106 3.118 5.262 1.00 0.00 C ATOM 593 C PHE A 39 10.284 3.077 3.994 1.00 0.00 C ATOM 594 O PHE A 39 10.784 2.756 2.916 1.00 0.00 O ATOM 595 CB PHE A 39 11.065 1.756 5.927 1.00 0.00 C ATOM 596 CG PHE A 39 11.684 0.688 5.072 1.00 0.00 C ATOM 597 CD1 PHE A 39 13.048 0.448 5.118 1.00 0.00 C ATOM 598 CD2 PHE A 39 10.906 -0.058 4.200 1.00 0.00 C ATOM 599 CE1 PHE A 39 13.621 -0.518 4.315 1.00 0.00 C ATOM 600 CE2 PHE A 39 11.474 -1.020 3.392 1.00 0.00 C ATOM 601 CZ PHE A 39 12.832 -1.251 3.449 1.00 0.00 C ATOM 0 H PHE A 39 10.029 3.828 6.919 1.00 0.00 H new ATOM 0 HA PHE A 39 12.147 3.352 5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 39 11.589 1.804 6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 39 10.030 1.491 6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 39 13.669 1.023 5.789 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.841 0.117 4.153 1.00 0.00 H new ATOM 0 HE1 PHE A 39 14.684 -0.701 4.364 1.00 0.00 H new ATOM 0 HE2 PHE A 39 10.856 -1.592 2.715 1.00 0.00 H new ATOM 0 HZ PHE A 39 13.279 -2.004 2.817 1.00 0.00 H new ATOM 611 N TYR A 40 9.014 3.421 4.142 1.00 0.00 N ATOM 612 CA TYR A 40 8.093 3.445 3.025 1.00 0.00 C ATOM 613 C TYR A 40 8.602 4.429 1.981 1.00 0.00 C ATOM 614 O TYR A 40 8.480 4.202 0.778 1.00 0.00 O ATOM 615 CB TYR A 40 6.705 3.861 3.510 1.00 0.00 C ATOM 616 CG TYR A 40 5.563 3.146 2.826 1.00 0.00 C ATOM 617 CD1 TYR A 40 5.682 1.824 2.412 1.00 0.00 C ATOM 618 CD2 TYR A 40 4.358 3.797 2.606 1.00 0.00 C ATOM 619 CE1 TYR A 40 4.631 1.173 1.796 1.00 0.00 C ATOM 620 CE2 TYR A 40 3.303 3.156 1.992 1.00 0.00 C ATOM 621 CZ TYR A 40 3.443 1.843 1.588 1.00 0.00 C ATOM 622 OH TYR A 40 2.392 1.201 0.972 1.00 0.00 O ATOM 0 H TYR A 40 8.599 3.689 5.034 1.00 0.00 H new ATOM 0 HA TYR A 40 8.025 2.452 2.581 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.640 3.681 4.583 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.588 4.934 3.359 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.611 1.298 2.575 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.244 4.824 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.738 0.146 1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.372 3.678 1.828 1.00 0.00 H new ATOM 0 HH TYR A 40 1.826 1.861 0.520 1.00 0.00 H new ATOM 632 N GLU A 41 9.201 5.512 2.459 1.00 0.00 N ATOM 633 CA GLU A 41 9.767 6.522 1.573 1.00 0.00 C ATOM 634 C GLU A 41 10.986 5.962 0.835 1.00 0.00 C ATOM 635 O GLU A 41 11.214 6.265 -0.335 1.00 0.00 O ATOM 636 CB GLU A 41 10.137 7.787 2.366 1.00 0.00 C ATOM 637 CG GLU A 41 11.623 7.933 2.667 1.00 0.00 C ATOM 638 CD GLU A 41 11.920 9.098 3.592 1.00 0.00 C ATOM 639 OE1 GLU A 41 11.649 10.252 3.199 1.00 0.00 O ATOM 640 OE2 GLU A 41 12.424 8.855 4.709 1.00 0.00 O ATOM 0 H GLU A 41 9.308 5.714 3.453 1.00 0.00 H new ATOM 0 HA GLU A 41 9.017 6.795 0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 41 9.805 8.661 1.806 1.00 0.00 H new ATOM 0 HB3 GLU A 41 9.587 7.784 3.307 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.990 7.012 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.168 8.068 1.732 1.00 0.00 H new ATOM 647 N GLU A 42 11.770 5.149 1.544 1.00 0.00 N ATOM 648 CA GLU A 42 12.975 4.546 0.980 1.00 0.00 C ATOM 649 C GLU A 42 12.643 3.641 -0.209 1.00 0.00 C ATOM 650 O GLU A 42 13.253 3.744 -1.273 1.00 0.00 O ATOM 651 CB GLU A 42 13.709 3.739 2.053 1.00 0.00 C ATOM 652 CG GLU A 42 14.177 4.577 3.233 1.00 0.00 C ATOM 653 CD GLU A 42 15.394 5.420 2.904 1.00 0.00 C ATOM 654 OE1 GLU A 42 16.392 4.855 2.409 1.00 0.00 O ATOM 655 OE2 GLU A 42 15.349 6.645 3.142 1.00 0.00 O ATOM 0 H GLU A 42 11.589 4.893 2.515 1.00 0.00 H new ATOM 0 HA GLU A 42 13.617 5.352 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.050 2.951 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.572 3.250 1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.365 5.228 3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.411 3.920 4.071 1.00 0.00 H new ATOM 662 N CYS A 43 11.672 2.753 -0.011 1.00 0.00 N ATOM 663 CA CYS A 43 11.244 1.815 -1.051 1.00 0.00 C ATOM 664 C CYS A 43 10.704 2.554 -2.273 1.00 0.00 C ATOM 665 O CYS A 43 10.876 2.110 -3.407 1.00 0.00 O ATOM 666 CB CYS A 43 10.178 0.837 -0.501 1.00 0.00 C ATOM 667 SG CYS A 43 9.206 1.447 0.886 1.00 0.00 S ATOM 0 H CYS A 43 11.162 2.662 0.867 1.00 0.00 H new ATOM 0 HA CYS A 43 12.118 1.241 -1.360 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.498 0.576 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.677 -0.082 -0.195 1.00 0.00 H new ATOM 0 HG CYS A 43 9.998 1.746 1.873 1.00 0.00 H new ATOM 673 N SER A 44 10.047 3.675 -2.034 1.00 0.00 N ATOM 674 CA SER A 44 9.469 4.475 -3.109 1.00 0.00 C ATOM 675 C SER A 44 10.534 5.126 -4.000 1.00 0.00 C ATOM 676 O SER A 44 10.250 5.509 -5.135 1.00 0.00 O ATOM 677 CB SER A 44 8.575 5.557 -2.506 1.00 0.00 C ATOM 678 OG SER A 44 9.342 6.666 -2.068 1.00 0.00 O ATOM 0 H SER A 44 9.898 4.057 -1.100 1.00 0.00 H new ATOM 0 HA SER A 44 8.888 3.803 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.845 5.885 -3.247 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.014 5.144 -1.667 1.00 0.00 H new ATOM 0 HG SER A 44 10.205 6.352 -1.727 1.00 0.00 H new ATOM 684 N LYS A 45 11.739 5.295 -3.467 1.00 0.00 N ATOM 685 CA LYS A 45 12.825 5.952 -4.192 1.00 0.00 C ATOM 686 C LYS A 45 13.651 5.010 -5.089 1.00 0.00 C ATOM 687 O LYS A 45 14.181 5.442 -6.113 1.00 0.00 O ATOM 688 CB LYS A 45 13.743 6.630 -3.179 1.00 0.00 C ATOM 689 CG LYS A 45 13.631 8.143 -3.178 1.00 0.00 C ATOM 690 CD LYS A 45 14.974 8.802 -2.910 1.00 0.00 C ATOM 691 CE LYS A 45 15.280 8.851 -1.422 1.00 0.00 C ATOM 692 NZ LYS A 45 16.414 9.766 -1.118 1.00 0.00 N ATOM 0 H LYS A 45 11.991 4.984 -2.529 1.00 0.00 H new ATOM 0 HA LYS A 45 12.364 6.673 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.510 6.256 -2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.775 6.350 -3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.245 8.481 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.914 8.455 -2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.760 8.252 -3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.972 9.813 -3.316 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.393 9.179 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.518 7.848 -1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.591 9.771 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.267 9.439 -1.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.178 10.728 -1.433 1.00 0.00 H new ATOM 706 N THR A 46 13.780 3.744 -4.703 1.00 0.00 N ATOM 707 CA THR A 46 14.564 2.779 -5.477 1.00 0.00 C ATOM 708 C THR A 46 13.653 1.923 -6.342 1.00 0.00 C ATOM 709 O THR A 46 13.873 1.739 -7.539 1.00 0.00 O ATOM 710 CB THR A 46 15.379 1.866 -4.527 1.00 0.00 C ATOM 711 OG1 THR A 46 16.747 2.289 -4.497 1.00 0.00 O ATOM 712 CG2 THR A 46 15.308 0.400 -4.947 1.00 0.00 C ATOM 0 H THR A 46 13.353 3.360 -3.860 1.00 0.00 H new ATOM 0 HA THR A 46 15.248 3.333 -6.120 1.00 0.00 H new ATOM 0 HB THR A 46 14.940 1.953 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.256 1.708 -3.893 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.893 -0.206 -4.255 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.270 0.067 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 46 15.710 0.290 -5.954 1.00 0.00 H new ATOM 720 N TYR A 47 12.632 1.411 -5.692 1.00 0.00 N ATOM 721 CA TYR A 47 11.626 0.560 -6.297 1.00 0.00 C ATOM 722 C TYR A 47 10.676 1.339 -7.215 1.00 0.00 C ATOM 723 O TYR A 47 9.551 0.898 -7.448 1.00 0.00 O ATOM 724 CB TYR A 47 10.817 -0.185 -5.246 1.00 0.00 C ATOM 725 CG TYR A 47 11.641 -0.886 -4.191 1.00 0.00 C ATOM 726 CD1 TYR A 47 12.601 -1.831 -4.519 1.00 0.00 C ATOM 727 CD2 TYR A 47 11.416 -0.620 -2.858 1.00 0.00 C ATOM 728 CE1 TYR A 47 13.319 -2.483 -3.532 1.00 0.00 C ATOM 729 CE2 TYR A 47 12.114 -1.263 -1.860 1.00 0.00 C ATOM 730 CZ TYR A 47 13.070 -2.196 -2.202 1.00 0.00 C ATOM 731 OH TYR A 47 13.776 -2.846 -1.218 1.00 0.00 O ATOM 0 H TYR A 47 12.472 1.579 -4.699 1.00 0.00 H new ATOM 0 HA TYR A 47 12.172 -0.162 -6.905 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.148 0.522 -4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 47 10.190 -0.923 -5.746 1.00 0.00 H new ATOM 0 HD1 TYR A 47 12.791 -2.061 -5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.671 0.114 -2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 47 14.070 -3.212 -3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.915 -1.039 -0.822 1.00 0.00 H new ATOM 0 HH TYR A 47 14.735 -2.783 -1.408 1.00 0.00 H new ATOM 741 N THR A 48 11.062 2.546 -7.625 1.00 0.00 N ATOM 742 CA THR A 48 10.170 3.428 -8.382 1.00 0.00 C ATOM 743 C THR A 48 9.542 2.798 -9.634 1.00 0.00 C ATOM 744 O THR A 48 8.748 3.456 -10.308 1.00 0.00 O ATOM 745 CB THR A 48 10.919 4.699 -8.822 1.00 0.00 C ATOM 746 OG1 THR A 48 12.059 4.347 -9.615 1.00 0.00 O ATOM 747 CG2 THR A 48 11.367 5.510 -7.616 1.00 0.00 C ATOM 0 H THR A 48 11.987 2.937 -7.446 1.00 0.00 H new ATOM 0 HA THR A 48 9.357 3.649 -7.690 1.00 0.00 H new ATOM 0 HB THR A 48 10.237 5.307 -9.416 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.529 5.161 -9.892 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.894 6.403 -7.953 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.496 5.802 -7.030 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.033 4.907 -6.999 1.00 0.00 H new ATOM 755 N LYS A 49 9.810 1.525 -9.915 1.00 0.00 N ATOM 756 CA LYS A 49 9.159 0.868 -11.043 1.00 0.00 C ATOM 757 C LYS A 49 7.714 0.517 -10.646 1.00 0.00 C ATOM 758 O LYS A 49 6.843 0.326 -11.495 1.00 0.00 O ATOM 759 CB LYS A 49 9.919 -0.396 -11.460 1.00 0.00 C ATOM 760 CG LYS A 49 11.419 -0.337 -11.203 1.00 0.00 C ATOM 761 CD LYS A 49 11.859 -1.382 -10.190 1.00 0.00 C ATOM 762 CE LYS A 49 13.183 -2.016 -10.588 1.00 0.00 C ATOM 763 NZ LYS A 49 14.335 -1.373 -9.898 1.00 0.00 N ATOM 0 H LYS A 49 10.459 0.939 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 49 9.155 1.545 -11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.503 -1.249 -10.924 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.751 -0.574 -12.522 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.955 -0.490 -12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.687 0.656 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.955 -0.921 -9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.094 -2.154 -10.106 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.163 -3.079 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.315 -1.935 -11.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.219 -1.833 -10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.369 -0.364 -10.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.223 -1.472 -8.869 1.00 0.00 H new ATOM 777 N MET A 50 7.486 0.460 -9.328 1.00 0.00 N ATOM 778 CA MET A 50 6.178 0.165 -8.727 1.00 0.00 C ATOM 779 C MET A 50 5.512 1.471 -8.304 1.00 0.00 C ATOM 780 O MET A 50 6.195 2.408 -7.889 1.00 0.00 O ATOM 781 CB MET A 50 6.402 -0.712 -7.483 1.00 0.00 C ATOM 782 CG MET A 50 5.568 -1.977 -7.419 1.00 0.00 C ATOM 783 SD MET A 50 6.586 -3.457 -7.313 1.00 0.00 S ATOM 784 CE MET A 50 7.228 -3.520 -8.984 1.00 0.00 C ATOM 0 H MET A 50 8.218 0.620 -8.636 1.00 0.00 H new ATOM 0 HA MET A 50 5.542 -0.352 -9.446 1.00 0.00 H new ATOM 0 HB2 MET A 50 7.455 -0.989 -7.440 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.193 -0.114 -6.596 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.906 -1.931 -6.554 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.933 -2.037 -8.303 1.00 0.00 H new ATOM 0 HE1 MET A 50 7.527 -4.541 -9.221 1.00 0.00 H new ATOM 0 HE2 MET A 50 6.456 -3.197 -9.683 1.00 0.00 H new ATOM 0 HE3 MET A 50 8.092 -2.860 -9.067 1.00 0.00 H new ATOM 794 N VAL A 51 4.188 1.537 -8.383 1.00 0.00 N ATOM 795 CA VAL A 51 3.485 2.753 -7.970 1.00 0.00 C ATOM 796 C VAL A 51 3.036 2.630 -6.524 1.00 0.00 C ATOM 797 O VAL A 51 2.411 1.643 -6.136 1.00 0.00 O ATOM 798 CB VAL A 51 2.259 3.099 -8.847 1.00 0.00 C ATOM 799 CG1 VAL A 51 2.516 4.370 -9.628 1.00 0.00 C ATOM 800 CG2 VAL A 51 1.898 1.966 -9.786 1.00 0.00 C ATOM 0 H VAL A 51 3.588 0.784 -8.720 1.00 0.00 H new ATOM 0 HA VAL A 51 4.202 3.565 -8.091 1.00 0.00 H new ATOM 0 HB VAL A 51 1.410 3.254 -8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.645 4.603 -10.241 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.702 5.191 -8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.386 4.233 -10.270 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.032 2.251 -10.383 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.741 1.757 -10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.661 1.074 -9.206 1.00 0.00 H new ATOM 810 N PHE A 52 3.383 3.628 -5.723 1.00 0.00 N ATOM 811 CA PHE A 52 3.039 3.614 -4.309 1.00 0.00 C ATOM 812 C PHE A 52 1.951 4.621 -3.957 1.00 0.00 C ATOM 813 O PHE A 52 2.096 5.821 -4.191 1.00 0.00 O ATOM 814 CB PHE A 52 4.271 3.914 -3.451 1.00 0.00 C ATOM 815 CG PHE A 52 5.309 2.835 -3.471 1.00 0.00 C ATOM 816 CD1 PHE A 52 5.940 2.523 -4.650 1.00 0.00 C ATOM 817 CD2 PHE A 52 5.658 2.146 -2.319 1.00 0.00 C ATOM 818 CE1 PHE A 52 6.907 1.539 -4.701 1.00 0.00 C ATOM 819 CE2 PHE A 52 6.627 1.159 -2.357 1.00 0.00 C ATOM 820 CZ PHE A 52 7.251 0.856 -3.552 1.00 0.00 C ATOM 0 H PHE A 52 3.900 4.453 -6.027 1.00 0.00 H new ATOM 0 HA PHE A 52 2.661 2.613 -4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.723 4.844 -3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.952 4.077 -2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.676 3.056 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.170 2.382 -1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.393 1.304 -5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.895 0.627 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.007 0.086 -3.587 1.00 0.00 H new ATOM 830 N ILE A 53 0.884 4.121 -3.351 1.00 0.00 N ATOM 831 CA ILE A 53 -0.218 4.974 -2.908 1.00 0.00 C ATOM 832 C ILE A 53 -0.645 4.586 -1.487 1.00 0.00 C ATOM 833 O ILE A 53 -0.281 3.520 -0.990 1.00 0.00 O ATOM 834 CB ILE A 53 -1.437 4.904 -3.854 1.00 0.00 C ATOM 835 CG1 ILE A 53 -2.004 3.488 -3.917 1.00 0.00 C ATOM 836 CG2 ILE A 53 -1.054 5.388 -5.244 1.00 0.00 C ATOM 837 CD1 ILE A 53 -3.516 3.441 -3.893 1.00 0.00 C ATOM 0 H ILE A 53 0.754 3.129 -3.153 1.00 0.00 H new ATOM 0 HA ILE A 53 0.148 6.001 -2.921 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.213 5.558 -3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.648 3.003 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.617 2.913 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.922 5.333 -5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.706 6.420 -5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.258 4.758 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.849 2.404 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.880 3.897 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.911 3.988 -4.749 1.00 0.00 H new ATOM 849 N LYS A 54 -1.409 5.459 -0.842 1.00 0.00 N ATOM 850 CA LYS A 54 -1.887 5.228 0.525 1.00 0.00 C ATOM 851 C LYS A 54 -3.387 5.467 0.590 1.00 0.00 C ATOM 852 O LYS A 54 -3.881 6.492 0.121 1.00 0.00 O ATOM 853 CB LYS A 54 -1.186 6.183 1.518 1.00 0.00 C ATOM 854 CG LYS A 54 0.075 5.637 2.185 1.00 0.00 C ATOM 855 CD LYS A 54 0.969 6.766 2.673 1.00 0.00 C ATOM 856 CE LYS A 54 0.600 7.203 4.082 1.00 0.00 C ATOM 857 NZ LYS A 54 1.124 6.263 5.111 1.00 0.00 N ATOM 0 H LYS A 54 -1.716 6.344 -1.245 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.658 4.198 0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.927 7.100 0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.898 6.454 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.201 4.999 3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.623 5.014 1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.009 6.442 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.887 7.615 1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.996 8.202 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.485 7.269 4.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.404 6.119 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.351 5.351 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.984 6.662 5.540 1.00 0.00 H new ATOM 871 N VAL A 55 -4.109 4.526 1.179 1.00 0.00 N ATOM 872 CA VAL A 55 -5.550 4.660 1.303 1.00 0.00 C ATOM 873 C VAL A 55 -5.995 4.305 2.717 1.00 0.00 C ATOM 874 O VAL A 55 -5.815 3.180 3.181 1.00 0.00 O ATOM 875 CB VAL A 55 -6.272 3.799 0.223 1.00 0.00 C ATOM 876 CG1 VAL A 55 -7.577 3.171 0.715 1.00 0.00 C ATOM 877 CG2 VAL A 55 -6.527 4.636 -1.020 1.00 0.00 C ATOM 0 H VAL A 55 -3.724 3.669 1.575 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.830 5.698 1.126 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.604 2.970 -0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.025 2.586 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.370 2.521 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.267 3.958 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.032 4.028 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.155 5.489 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.578 4.992 -1.420 1.00 0.00 H new ATOM 887 N ASP A 56 -6.556 5.299 3.398 1.00 0.00 N ATOM 888 CA ASP A 56 -7.011 5.141 4.771 1.00 0.00 C ATOM 889 C ASP A 56 -8.395 4.505 4.832 1.00 0.00 C ATOM 890 O ASP A 56 -9.165 4.565 3.872 1.00 0.00 O ATOM 891 CB ASP A 56 -6.996 6.505 5.477 1.00 0.00 C ATOM 892 CG ASP A 56 -8.195 7.363 5.125 1.00 0.00 C ATOM 893 OD1 ASP A 56 -8.605 7.355 3.945 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.726 8.042 6.029 1.00 0.00 O ATOM 0 H ASP A 56 -6.707 6.232 3.014 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.329 4.466 5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.970 6.350 6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.083 7.037 5.209 1.00 0.00 H new ATOM 899 N VAL A 57 -8.694 3.883 5.967 1.00 0.00 N ATOM 900 CA VAL A 57 -9.972 3.218 6.165 1.00 0.00 C ATOM 901 C VAL A 57 -11.054 4.197 6.620 1.00 0.00 C ATOM 902 O VAL A 57 -12.247 3.913 6.511 1.00 0.00 O ATOM 903 CB VAL A 57 -9.857 2.088 7.212 1.00 0.00 C ATOM 904 CG1 VAL A 57 -8.690 1.170 6.887 1.00 0.00 C ATOM 905 CG2 VAL A 57 -9.709 2.660 8.618 1.00 0.00 C ATOM 0 H VAL A 57 -8.063 3.827 6.767 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.254 2.797 5.200 1.00 0.00 H new ATOM 0 HB VAL A 57 -10.776 1.503 7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.627 0.382 7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.840 0.724 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.764 1.745 6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.630 1.844 9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.811 3.275 8.668 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.580 3.270 8.856 1.00 0.00 H new ATOM 915 N ASP A 58 -10.627 5.333 7.161 1.00 0.00 N ATOM 916 CA ASP A 58 -11.555 6.337 7.669 1.00 0.00 C ATOM 917 C ASP A 58 -12.234 7.118 6.547 1.00 0.00 C ATOM 918 O ASP A 58 -13.443 7.346 6.583 1.00 0.00 O ATOM 919 CB ASP A 58 -10.823 7.307 8.598 1.00 0.00 C ATOM 920 CG ASP A 58 -10.189 6.610 9.786 1.00 0.00 C ATOM 921 OD1 ASP A 58 -10.917 5.914 10.525 1.00 0.00 O ATOM 922 OD2 ASP A 58 -8.963 6.758 9.976 1.00 0.00 O ATOM 0 H ASP A 58 -9.643 5.582 7.259 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.331 5.807 8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.051 7.831 8.035 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.524 8.061 8.956 1.00 0.00 H new ATOM 927 N GLU A 59 -11.450 7.543 5.566 1.00 0.00 N ATOM 928 CA GLU A 59 -11.975 8.321 4.450 1.00 0.00 C ATOM 929 C GLU A 59 -12.824 7.465 3.517 1.00 0.00 C ATOM 930 O GLU A 59 -13.896 7.888 3.083 1.00 0.00 O ATOM 931 CB GLU A 59 -10.829 8.961 3.665 1.00 0.00 C ATOM 932 CG GLU A 59 -11.207 10.274 2.999 1.00 0.00 C ATOM 933 CD GLU A 59 -10.053 11.256 2.949 1.00 0.00 C ATOM 934 OE1 GLU A 59 -9.016 10.922 2.339 1.00 0.00 O ATOM 935 OE2 GLU A 59 -10.186 12.358 3.521 1.00 0.00 O ATOM 0 H GLU A 59 -10.447 7.363 5.519 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.612 9.102 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.990 9.133 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.487 8.262 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.555 10.076 1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.040 10.725 3.539 1.00 0.00 H new ATOM 942 N VAL A 60 -12.345 6.267 3.201 1.00 0.00 N ATOM 943 CA VAL A 60 -13.074 5.377 2.309 1.00 0.00 C ATOM 944 C VAL A 60 -13.269 3.999 2.930 1.00 0.00 C ATOM 945 O VAL A 60 -12.544 3.055 2.615 1.00 0.00 O ATOM 946 CB VAL A 60 -12.354 5.225 0.954 1.00 0.00 C ATOM 947 CG1 VAL A 60 -12.865 6.257 -0.040 1.00 0.00 C ATOM 948 CG2 VAL A 60 -10.845 5.343 1.125 1.00 0.00 C ATOM 0 H VAL A 60 -11.461 5.893 3.547 1.00 0.00 H new ATOM 0 HA VAL A 60 -14.051 5.832 2.144 1.00 0.00 H new ATOM 0 HB VAL A 60 -12.572 4.232 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.346 6.135 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -13.936 6.118 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.680 7.259 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.359 5.232 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.602 6.320 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.493 4.562 1.798 1.00 0.00 H new ATOM 958 N SER A 61 -14.262 3.886 3.806 1.00 0.00 N ATOM 959 CA SER A 61 -14.561 2.620 4.462 1.00 0.00 C ATOM 960 C SER A 61 -14.931 1.561 3.431 1.00 0.00 C ATOM 961 O SER A 61 -14.644 0.377 3.609 1.00 0.00 O ATOM 962 CB SER A 61 -15.702 2.797 5.466 1.00 0.00 C ATOM 963 OG SER A 61 -15.386 2.193 6.709 1.00 0.00 O ATOM 0 H SER A 61 -14.873 4.656 4.078 1.00 0.00 H new ATOM 0 HA SER A 61 -13.670 2.291 4.997 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.899 3.859 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.615 2.356 5.065 1.00 0.00 H new ATOM 0 HG SER A 61 -16.130 2.321 7.334 1.00 0.00 H new ATOM 969 N GLU A 62 -15.563 1.999 2.347 1.00 0.00 N ATOM 970 CA GLU A 62 -15.967 1.094 1.279 1.00 0.00 C ATOM 971 C GLU A 62 -14.768 0.333 0.737 1.00 0.00 C ATOM 972 O GLU A 62 -14.877 -0.820 0.322 1.00 0.00 O ATOM 973 CB GLU A 62 -16.644 1.875 0.158 1.00 0.00 C ATOM 974 CG GLU A 62 -15.744 2.875 -0.549 1.00 0.00 C ATOM 975 CD GLU A 62 -16.494 3.687 -1.586 1.00 0.00 C ATOM 976 OE1 GLU A 62 -17.261 3.087 -2.369 1.00 0.00 O ATOM 977 OE2 GLU A 62 -16.318 4.923 -1.614 1.00 0.00 O ATOM 0 H GLU A 62 -15.806 2.976 2.186 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.675 0.373 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.029 1.169 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.502 2.406 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.302 3.547 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.922 2.345 -1.030 1.00 0.00 H new ATOM 984 N VAL A 63 -13.623 0.991 0.763 1.00 0.00 N ATOM 985 CA VAL A 63 -12.380 0.389 0.293 1.00 0.00 C ATOM 986 C VAL A 63 -12.006 -0.786 1.183 1.00 0.00 C ATOM 987 O VAL A 63 -11.593 -1.843 0.707 1.00 0.00 O ATOM 988 CB VAL A 63 -11.216 1.408 0.293 1.00 0.00 C ATOM 989 CG1 VAL A 63 -9.894 0.720 -0.018 1.00 0.00 C ATOM 990 CG2 VAL A 63 -11.479 2.538 -0.692 1.00 0.00 C ATOM 0 H VAL A 63 -13.524 1.947 1.105 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.545 0.052 -0.730 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.149 1.840 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.090 1.456 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.694 -0.041 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.950 0.251 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.645 3.240 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.584 2.128 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -12.397 3.057 -0.414 1.00 0.00 H new ATOM 1000 N THR A 64 -12.163 -0.581 2.480 1.00 0.00 N ATOM 1001 CA THR A 64 -11.856 -1.600 3.468 1.00 0.00 C ATOM 1002 C THR A 64 -12.664 -2.871 3.213 1.00 0.00 C ATOM 1003 O THR A 64 -12.128 -3.978 3.253 1.00 0.00 O ATOM 1004 CB THR A 64 -12.157 -1.069 4.886 1.00 0.00 C ATOM 1005 OG1 THR A 64 -11.319 0.058 5.169 1.00 0.00 O ATOM 1006 CG2 THR A 64 -11.943 -2.137 5.950 1.00 0.00 C ATOM 0 H THR A 64 -12.506 0.294 2.876 1.00 0.00 H new ATOM 0 HA THR A 64 -10.796 -1.842 3.387 1.00 0.00 H new ATOM 0 HB THR A 64 -13.206 -0.774 4.911 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.877 0.844 5.349 1.00 0.00 H new ATOM 0 HG21 THR A 64 -12.166 -1.721 6.933 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.603 -2.982 5.755 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.906 -2.473 5.925 1.00 0.00 H new ATOM 1014 N GLU A 65 -13.956 -2.702 2.957 1.00 0.00 N ATOM 1015 CA GLU A 65 -14.839 -3.837 2.701 1.00 0.00 C ATOM 1016 C GLU A 65 -14.552 -4.483 1.348 1.00 0.00 C ATOM 1017 O GLU A 65 -14.690 -5.696 1.189 1.00 0.00 O ATOM 1018 CB GLU A 65 -16.305 -3.401 2.774 1.00 0.00 C ATOM 1019 CG GLU A 65 -16.722 -2.461 1.656 1.00 0.00 C ATOM 1020 CD GLU A 65 -18.227 -2.341 1.525 1.00 0.00 C ATOM 1021 OE1 GLU A 65 -18.906 -2.210 2.565 1.00 0.00 O ATOM 1022 OE2 GLU A 65 -18.728 -2.378 0.381 1.00 0.00 O ATOM 0 H GLU A 65 -14.416 -1.792 2.921 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.647 -4.581 3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -16.939 -4.287 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -16.482 -2.912 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.297 -1.474 1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.306 -2.817 0.713 1.00 0.00 H new ATOM 1029 N LYS A 66 -14.171 -3.666 0.371 1.00 0.00 N ATOM 1030 CA LYS A 66 -13.887 -4.161 -0.974 1.00 0.00 C ATOM 1031 C LYS A 66 -12.763 -5.194 -0.972 1.00 0.00 C ATOM 1032 O LYS A 66 -12.829 -6.191 -1.690 1.00 0.00 O ATOM 1033 CB LYS A 66 -13.520 -2.999 -1.897 1.00 0.00 C ATOM 1034 CG LYS A 66 -14.662 -2.024 -2.128 1.00 0.00 C ATOM 1035 CD LYS A 66 -15.295 -2.219 -3.496 1.00 0.00 C ATOM 1036 CE LYS A 66 -14.404 -1.679 -4.603 1.00 0.00 C ATOM 1037 NZ LYS A 66 -14.627 -2.388 -5.893 1.00 0.00 N ATOM 0 H LYS A 66 -14.052 -2.659 0.484 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.790 -4.649 -1.341 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.674 -2.460 -1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.193 -3.398 -2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.418 -2.158 -1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.293 -1.002 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.483 -3.280 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.261 -1.715 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.596 -0.614 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.359 -1.780 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.965 -2.025 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -14.469 -3.407 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.604 -2.228 -6.213 1.00 0.00 H new ATOM 1051 N GLU A 67 -11.731 -4.952 -0.172 1.00 0.00 N ATOM 1052 CA GLU A 67 -10.599 -5.870 -0.099 1.00 0.00 C ATOM 1053 C GLU A 67 -10.680 -6.776 1.130 1.00 0.00 C ATOM 1054 O GLU A 67 -9.705 -7.440 1.480 1.00 0.00 O ATOM 1055 CB GLU A 67 -9.285 -5.087 -0.081 1.00 0.00 C ATOM 1056 CG GLU A 67 -8.996 -4.352 -1.380 1.00 0.00 C ATOM 1057 CD GLU A 67 -9.072 -5.259 -2.593 1.00 0.00 C ATOM 1058 OE1 GLU A 67 -10.197 -5.536 -3.059 1.00 0.00 O ATOM 1059 OE2 GLU A 67 -8.005 -5.692 -3.079 1.00 0.00 O ATOM 0 H GLU A 67 -11.654 -4.134 0.432 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.634 -6.504 -0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.313 -4.366 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.465 -5.774 0.128 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.708 -3.535 -1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.003 -3.905 -1.327 1.00 0.00 H new ATOM 1066 N ASN A 68 -11.841 -6.804 1.786 1.00 0.00 N ATOM 1067 CA ASN A 68 -12.023 -7.636 2.974 1.00 0.00 C ATOM 1068 C ASN A 68 -10.917 -7.366 3.991 1.00 0.00 C ATOM 1069 O ASN A 68 -10.333 -8.290 4.556 1.00 0.00 O ATOM 1070 CB ASN A 68 -12.034 -9.117 2.590 1.00 0.00 C ATOM 1071 CG ASN A 68 -12.947 -9.937 3.482 1.00 0.00 C ATOM 1072 OD1 ASN A 68 -12.549 -10.377 4.560 1.00 0.00 O ATOM 1073 ND2 ASN A 68 -14.180 -10.145 3.034 1.00 0.00 N ATOM 0 H ASN A 68 -12.663 -6.264 1.517 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.982 -7.383 3.427 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.355 -9.219 1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.020 -9.513 2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.840 -10.689 3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.467 -9.761 2.134 1.00 0.00 H new ATOM 1080 N ILE A 69 -10.633 -6.087 4.205 1.00 0.00 N ATOM 1081 CA ILE A 69 -9.592 -5.672 5.139 1.00 0.00 C ATOM 1082 C ILE A 69 -9.949 -6.051 6.573 1.00 0.00 C ATOM 1083 O ILE A 69 -10.832 -5.450 7.186 1.00 0.00 O ATOM 1084 CB ILE A 69 -9.349 -4.151 5.045 1.00 0.00 C ATOM 1085 CG1 ILE A 69 -8.872 -3.764 3.640 1.00 0.00 C ATOM 1086 CG2 ILE A 69 -8.344 -3.700 6.089 1.00 0.00 C ATOM 1087 CD1 ILE A 69 -7.498 -4.292 3.296 1.00 0.00 C ATOM 0 H ILE A 69 -11.112 -5.315 3.742 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.677 -6.196 4.862 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.295 -3.645 5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.588 -4.137 2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.865 -2.677 3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.189 -2.625 6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.723 -3.934 7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.398 -4.217 5.930 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.229 -3.978 2.287 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.769 -3.899 4.005 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.503 -5.381 3.347 1.00 0.00 H new ATOM 1099 N THR A 70 -9.265 -7.068 7.095 1.00 0.00 N ATOM 1100 CA THR A 70 -9.517 -7.546 8.445 1.00 0.00 C ATOM 1101 C THR A 70 -8.369 -7.242 9.412 1.00 0.00 C ATOM 1102 O THR A 70 -8.604 -6.931 10.580 1.00 0.00 O ATOM 1103 CB THR A 70 -9.765 -9.060 8.435 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.750 -9.719 7.668 1.00 0.00 O ATOM 1105 CG2 THR A 70 -11.133 -9.381 7.856 1.00 0.00 C ATOM 0 H THR A 70 -8.532 -7.575 6.599 1.00 0.00 H new ATOM 0 HA THR A 70 -10.400 -7.013 8.797 1.00 0.00 H new ATOM 0 HB THR A 70 -9.731 -9.417 9.464 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.915 -10.685 7.668 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.285 -10.460 7.860 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.905 -8.904 8.460 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.191 -9.010 6.833 1.00 0.00 H new ATOM 1113 N SER A 71 -7.130 -7.358 8.936 1.00 0.00 N ATOM 1114 CA SER A 71 -5.960 -7.120 9.786 1.00 0.00 C ATOM 1115 C SER A 71 -5.108 -5.956 9.278 1.00 0.00 C ATOM 1116 O SER A 71 -4.576 -6.006 8.171 1.00 0.00 O ATOM 1117 CB SER A 71 -5.104 -8.385 9.858 1.00 0.00 C ATOM 1118 OG SER A 71 -5.861 -9.488 10.324 1.00 0.00 O ATOM 0 H SER A 71 -6.909 -7.613 7.973 1.00 0.00 H new ATOM 0 HA SER A 71 -6.326 -6.858 10.779 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.698 -8.610 8.872 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.256 -8.216 10.521 1.00 0.00 H new ATOM 0 HG SER A 71 -5.291 -10.284 10.359 1.00 0.00 H new ATOM 1124 N MET A 72 -4.971 -4.917 10.103 1.00 0.00 N ATOM 1125 CA MET A 72 -4.171 -3.741 9.750 1.00 0.00 C ATOM 1126 C MET A 72 -2.985 -3.584 10.700 1.00 0.00 C ATOM 1127 O MET A 72 -3.034 -4.048 11.839 1.00 0.00 O ATOM 1128 CB MET A 72 -5.028 -2.471 9.820 1.00 0.00 C ATOM 1129 CG MET A 72 -5.647 -2.053 8.493 1.00 0.00 C ATOM 1130 SD MET A 72 -5.991 -0.285 8.429 1.00 0.00 S ATOM 1131 CE MET A 72 -7.088 -0.112 9.836 1.00 0.00 C ATOM 0 H MET A 72 -5.405 -4.865 11.024 1.00 0.00 H new ATOM 0 HA MET A 72 -3.804 -3.885 8.734 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.826 -2.626 10.546 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.412 -1.653 10.193 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.973 -2.320 7.679 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.572 -2.607 8.335 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.727 0.760 9.694 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.707 -1.005 9.927 1.00 0.00 H new ATOM 0 HE3 MET A 72 -6.498 0.014 10.744 1.00 0.00 H new ATOM 1141 N PRO A 73 -1.908 -2.898 10.264 1.00 0.00 N ATOM 1142 CA PRO A 73 -1.792 -2.319 8.914 1.00 0.00 C ATOM 1143 C PRO A 73 -1.578 -3.389 7.844 1.00 0.00 C ATOM 1144 O PRO A 73 -0.819 -4.336 8.053 1.00 0.00 O ATOM 1145 CB PRO A 73 -0.556 -1.425 9.030 1.00 0.00 C ATOM 1146 CG PRO A 73 0.278 -2.106 10.053 1.00 0.00 C ATOM 1147 CD PRO A 73 -0.690 -2.661 11.060 1.00 0.00 C ATOM 0 HA PRO A 73 -2.696 -1.790 8.611 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.032 -1.341 8.078 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.821 -0.414 9.338 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.876 -2.900 9.606 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.973 -1.408 10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.318 -3.581 11.511 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.871 -1.958 11.873 1.00 0.00 H new ATOM 1155 N THR A 74 -2.243 -3.243 6.701 1.00 0.00 N ATOM 1156 CA THR A 74 -2.109 -4.209 5.618 1.00 0.00 C ATOM 1157 C THR A 74 -1.481 -3.589 4.362 1.00 0.00 C ATOM 1158 O THR A 74 -1.937 -2.557 3.870 1.00 0.00 O ATOM 1159 CB THR A 74 -3.480 -4.810 5.255 1.00 0.00 C ATOM 1160 OG1 THR A 74 -4.412 -4.578 6.316 1.00 0.00 O ATOM 1161 CG2 THR A 74 -3.364 -6.303 4.985 1.00 0.00 C ATOM 0 H THR A 74 -2.877 -2.469 6.503 1.00 0.00 H new ATOM 0 HA THR A 74 -1.444 -4.994 5.979 1.00 0.00 H new ATOM 0 HB THR A 74 -3.838 -4.323 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.179 -5.139 7.085 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.345 -6.704 4.731 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.677 -6.470 4.155 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.986 -6.805 5.875 1.00 0.00 H new ATOM 1169 N PHE A 75 -0.449 -4.255 3.836 1.00 0.00 N ATOM 1170 CA PHE A 75 0.242 -3.810 2.614 1.00 0.00 C ATOM 1171 C PHE A 75 -0.019 -4.811 1.488 1.00 0.00 C ATOM 1172 O PHE A 75 0.334 -5.985 1.602 1.00 0.00 O ATOM 1173 CB PHE A 75 1.759 -3.689 2.838 1.00 0.00 C ATOM 1174 CG PHE A 75 2.204 -2.487 3.643 1.00 0.00 C ATOM 1175 CD1 PHE A 75 1.285 -1.655 4.266 1.00 0.00 C ATOM 1176 CD2 PHE A 75 3.559 -2.196 3.779 1.00 0.00 C ATOM 1177 CE1 PHE A 75 1.706 -0.561 5.005 1.00 0.00 C ATOM 1178 CE2 PHE A 75 3.980 -1.105 4.518 1.00 0.00 C ATOM 1179 CZ PHE A 75 3.055 -0.288 5.129 1.00 0.00 C ATOM 0 H PHE A 75 -0.068 -5.112 4.238 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.146 -2.827 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.108 -4.591 3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.251 -3.656 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.229 -1.862 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.291 -2.830 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.980 0.079 5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.035 -0.894 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.383 0.565 5.704 1.00 0.00 H new ATOM 1189 N LYS A 76 -0.653 -4.355 0.411 1.00 0.00 N ATOM 1190 CA LYS A 76 -0.971 -5.233 -0.713 1.00 0.00 C ATOM 1191 C LYS A 76 -0.325 -4.771 -2.005 1.00 0.00 C ATOM 1192 O LYS A 76 -0.388 -3.595 -2.363 1.00 0.00 O ATOM 1193 CB LYS A 76 -2.486 -5.303 -0.941 1.00 0.00 C ATOM 1194 CG LYS A 76 -3.098 -6.641 -0.601 1.00 0.00 C ATOM 1195 CD LYS A 76 -3.056 -6.870 0.890 1.00 0.00 C ATOM 1196 CE LYS A 76 -3.825 -5.795 1.638 1.00 0.00 C ATOM 1197 NZ LYS A 76 -2.916 -4.769 2.208 1.00 0.00 N ATOM 0 H LYS A 76 -0.956 -3.388 0.292 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.578 -6.215 -0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.969 -4.531 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.697 -5.074 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.129 -6.677 -0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.558 -7.437 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.477 -7.848 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.020 -6.881 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.535 -5.318 0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.406 -6.253 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.415 -4.236 2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.081 -5.234 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.614 -4.117 1.456 1.00 0.00 H new ATOM 1211 N VAL A 77 0.230 -5.723 -2.732 1.00 0.00 N ATOM 1212 CA VAL A 77 0.816 -5.435 -4.029 1.00 0.00 C ATOM 1213 C VAL A 77 -0.139 -5.939 -5.096 1.00 0.00 C ATOM 1214 O VAL A 77 -0.546 -7.100 -5.076 1.00 0.00 O ATOM 1215 CB VAL A 77 2.202 -6.079 -4.226 1.00 0.00 C ATOM 1216 CG1 VAL A 77 2.740 -5.761 -5.614 1.00 0.00 C ATOM 1217 CG2 VAL A 77 3.172 -5.591 -3.168 1.00 0.00 C ATOM 0 H VAL A 77 0.288 -6.701 -2.448 1.00 0.00 H new ATOM 0 HA VAL A 77 0.967 -4.358 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 77 2.095 -7.159 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.720 -6.222 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.056 -6.152 -6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.830 -4.681 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.145 -6.057 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.273 -4.508 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.797 -5.857 -2.180 1.00 0.00 H new ATOM 1227 N TYR A 78 -0.530 -5.061 -5.999 1.00 0.00 N ATOM 1228 CA TYR A 78 -1.476 -5.428 -7.035 1.00 0.00 C ATOM 1229 C TYR A 78 -0.808 -5.523 -8.401 1.00 0.00 C ATOM 1230 O TYR A 78 -0.133 -4.594 -8.843 1.00 0.00 O ATOM 1231 CB TYR A 78 -2.612 -4.410 -7.070 1.00 0.00 C ATOM 1232 CG TYR A 78 -3.458 -4.394 -5.814 1.00 0.00 C ATOM 1233 CD1 TYR A 78 -3.094 -3.611 -4.725 1.00 0.00 C ATOM 1234 CD2 TYR A 78 -4.616 -5.156 -5.715 1.00 0.00 C ATOM 1235 CE1 TYR A 78 -3.859 -3.590 -3.575 1.00 0.00 C ATOM 1236 CE2 TYR A 78 -5.385 -5.139 -4.567 1.00 0.00 C ATOM 1237 CZ TYR A 78 -5.003 -4.355 -3.500 1.00 0.00 C ATOM 1238 OH TYR A 78 -5.766 -4.336 -2.355 1.00 0.00 O ATOM 0 H TYR A 78 -0.209 -4.093 -6.037 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.874 -6.415 -6.799 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.192 -3.416 -7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -3.253 -4.624 -7.926 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.199 -3.009 -4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.920 -5.771 -6.549 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.562 -2.976 -2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.282 -5.738 -4.506 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.571 -4.879 -2.489 1.00 0.00 H new ATOM 1248 N LYS A 79 -1.009 -6.658 -9.062 1.00 0.00 N ATOM 1249 CA LYS A 79 -0.438 -6.898 -10.377 1.00 0.00 C ATOM 1250 C LYS A 79 -1.544 -7.083 -11.406 1.00 0.00 C ATOM 1251 O LYS A 79 -2.472 -7.868 -11.209 1.00 0.00 O ATOM 1252 CB LYS A 79 0.464 -8.132 -10.335 1.00 0.00 C ATOM 1253 CG LYS A 79 1.007 -8.536 -11.694 1.00 0.00 C ATOM 1254 CD LYS A 79 2.506 -8.783 -11.647 1.00 0.00 C ATOM 1255 CE LYS A 79 3.141 -8.625 -13.019 1.00 0.00 C ATOM 1256 NZ LYS A 79 3.178 -9.912 -13.767 1.00 0.00 N ATOM 0 H LYS A 79 -1.569 -7.431 -8.702 1.00 0.00 H new ATOM 0 HA LYS A 79 0.161 -6.035 -10.667 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.300 -7.938 -9.663 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.096 -8.967 -9.914 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.500 -9.438 -12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.789 -7.753 -12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.969 -8.086 -10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.698 -9.787 -11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.582 -7.887 -13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.155 -8.241 -12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.618 -9.761 -14.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.733 -10.609 -13.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.209 -10.266 -13.897 1.00 0.00 H new ATOM 1270 N ASN A 80 -1.438 -6.343 -12.498 1.00 0.00 N ATOM 1271 CA ASN A 80 -2.422 -6.396 -13.567 1.00 0.00 C ATOM 1272 C ASN A 80 -3.817 -6.061 -13.043 1.00 0.00 C ATOM 1273 O ASN A 80 -4.816 -6.596 -13.523 1.00 0.00 O ATOM 1274 CB ASN A 80 -2.427 -7.778 -14.219 1.00 0.00 C ATOM 1275 CG ASN A 80 -1.440 -7.879 -15.368 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -1.687 -7.362 -16.458 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -0.313 -8.543 -15.132 1.00 0.00 N ATOM 0 H ASN A 80 -0.671 -5.692 -12.668 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.147 -5.652 -14.315 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.186 -8.531 -13.469 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.430 -8.001 -14.584 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.386 -8.639 -15.868 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.147 -8.956 -14.214 1.00 0.00 H new ATOM 1284 N GLY A 81 -3.875 -5.151 -12.074 1.00 0.00 N ATOM 1285 CA GLY A 81 -5.147 -4.733 -11.520 1.00 0.00 C ATOM 1286 C GLY A 81 -5.769 -5.749 -10.585 1.00 0.00 C ATOM 1287 O GLY A 81 -6.991 -5.893 -10.554 1.00 0.00 O ATOM 0 H GLY A 81 -3.060 -4.696 -11.663 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.008 -3.795 -10.982 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.840 -4.532 -12.337 1.00 0.00 H new ATOM 1291 N SER A 82 -4.946 -6.448 -9.809 1.00 0.00 N ATOM 1292 CA SER A 82 -5.470 -7.431 -8.873 1.00 0.00 C ATOM 1293 C SER A 82 -4.465 -7.724 -7.774 1.00 0.00 C ATOM 1294 O SER A 82 -3.311 -7.311 -7.854 1.00 0.00 O ATOM 1295 CB SER A 82 -5.855 -8.720 -9.602 1.00 0.00 C ATOM 1296 OG SER A 82 -7.261 -8.826 -9.745 1.00 0.00 O ATOM 0 H SER A 82 -3.930 -6.353 -9.810 1.00 0.00 H new ATOM 0 HA SER A 82 -6.365 -7.013 -8.413 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.384 -8.740 -10.585 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.477 -9.580 -9.050 1.00 0.00 H new ATOM 0 HG SER A 82 -7.626 -7.964 -10.036 1.00 0.00 H new ATOM 1302 N SER A 83 -4.913 -8.425 -6.739 1.00 0.00 N ATOM 1303 CA SER A 83 -4.049 -8.746 -5.615 1.00 0.00 C ATOM 1304 C SER A 83 -2.985 -9.761 -6.012 1.00 0.00 C ATOM 1305 O SER A 83 -3.279 -10.759 -6.670 1.00 0.00 O ATOM 1306 CB SER A 83 -4.871 -9.275 -4.442 1.00 0.00 C ATOM 1307 OG SER A 83 -6.011 -9.985 -4.893 1.00 0.00 O ATOM 0 H SER A 83 -5.866 -8.780 -6.657 1.00 0.00 H new ATOM 0 HA SER A 83 -3.546 -7.829 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.252 -9.928 -3.827 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.184 -8.444 -3.810 1.00 0.00 H new ATOM 0 HG SER A 83 -6.518 -10.314 -4.121 1.00 0.00 H new ATOM 1313 N VAL A 84 -1.740 -9.491 -5.622 1.00 0.00 N ATOM 1314 CA VAL A 84 -0.632 -10.371 -5.954 1.00 0.00 C ATOM 1315 C VAL A 84 0.085 -10.887 -4.702 1.00 0.00 C ATOM 1316 O VAL A 84 0.555 -12.024 -4.674 1.00 0.00 O ATOM 1317 CB VAL A 84 0.358 -9.652 -6.900 1.00 0.00 C ATOM 1318 CG1 VAL A 84 1.379 -8.816 -6.147 1.00 0.00 C ATOM 1319 CG2 VAL A 84 1.044 -10.651 -7.818 1.00 0.00 C ATOM 0 H VAL A 84 -1.478 -8.670 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.042 -11.240 -6.468 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.226 -8.961 -7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.049 -8.333 -6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.864 -8.056 -5.559 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.957 -9.459 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.736 -10.125 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.593 -11.378 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.295 -11.167 -8.418 1.00 0.00 H new ATOM 1329 N ASP A 85 0.157 -10.053 -3.668 1.00 0.00 N ATOM 1330 CA ASP A 85 0.803 -10.434 -2.419 1.00 0.00 C ATOM 1331 C ASP A 85 0.207 -9.662 -1.256 1.00 0.00 C ATOM 1332 O ASP A 85 -0.530 -8.697 -1.458 1.00 0.00 O ATOM 1333 CB ASP A 85 2.303 -10.175 -2.488 1.00 0.00 C ATOM 1334 CG ASP A 85 3.068 -10.958 -1.438 1.00 0.00 C ATOM 1335 OD1 ASP A 85 2.844 -12.182 -1.330 1.00 0.00 O ATOM 1336 OD2 ASP A 85 3.891 -10.347 -0.723 1.00 0.00 O ATOM 0 H ASP A 85 -0.225 -9.107 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 85 0.635 -11.500 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.671 -10.443 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.493 -9.110 -2.355 1.00 0.00 H new ATOM 1341 N THR A 86 0.519 -10.085 -0.037 1.00 0.00 N ATOM 1342 CA THR A 86 -0.002 -9.416 1.130 1.00 0.00 C ATOM 1343 C THR A 86 0.988 -9.429 2.288 1.00 0.00 C ATOM 1344 O THR A 86 1.606 -10.451 2.586 1.00 0.00 O ATOM 1345 CB THR A 86 -1.314 -10.066 1.573 1.00 0.00 C ATOM 1346 OG1 THR A 86 -1.127 -11.474 1.756 1.00 0.00 O ATOM 1347 CG2 THR A 86 -2.406 -9.823 0.542 1.00 0.00 C ATOM 0 H THR A 86 1.125 -10.881 0.160 1.00 0.00 H new ATOM 0 HA THR A 86 -0.179 -8.377 0.851 1.00 0.00 H new ATOM 0 HB THR A 86 -1.619 -9.617 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.971 -11.882 2.041 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.332 -10.293 0.875 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.565 -8.751 0.426 1.00 0.00 H new ATOM 0 HG23 THR A 86 -2.105 -10.251 -0.414 1.00 0.00 H new ATOM 1355 N LEU A 87 1.123 -8.280 2.940 1.00 0.00 N ATOM 1356 CA LEU A 87 2.024 -8.135 4.074 1.00 0.00 C ATOM 1357 C LEU A 87 1.249 -7.623 5.291 1.00 0.00 C ATOM 1358 O LEU A 87 0.639 -6.555 5.244 1.00 0.00 O ATOM 1359 CB LEU A 87 3.180 -7.194 3.692 1.00 0.00 C ATOM 1360 CG LEU A 87 3.500 -6.059 4.671 1.00 0.00 C ATOM 1361 CD1 LEU A 87 4.045 -6.603 5.975 1.00 0.00 C ATOM 1362 CD2 LEU A 87 4.493 -5.094 4.046 1.00 0.00 C ATOM 0 H LEU A 87 0.615 -7.429 2.699 1.00 0.00 H new ATOM 0 HA LEU A 87 2.451 -9.102 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.080 -7.796 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.952 -6.752 2.722 1.00 0.00 H new ATOM 0 HG LEU A 87 2.575 -5.525 4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.264 -5.776 6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.305 -7.260 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.959 -7.165 5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.713 -4.292 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.413 -5.626 3.802 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.066 -4.671 3.136 1.00 0.00 H new ATOM 1374 N LEU A 88 1.266 -8.399 6.374 1.00 0.00 N ATOM 1375 CA LEU A 88 0.551 -8.029 7.597 1.00 0.00 C ATOM 1376 C LEU A 88 1.465 -7.244 8.528 1.00 0.00 C ATOM 1377 O LEU A 88 2.645 -7.564 8.672 1.00 0.00 O ATOM 1378 CB LEU A 88 0.027 -9.283 8.312 1.00 0.00 C ATOM 1379 CG LEU A 88 -1.373 -9.765 7.893 1.00 0.00 C ATOM 1380 CD1 LEU A 88 -1.338 -11.235 7.506 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -2.373 -9.535 9.015 1.00 0.00 C ATOM 0 H LEU A 88 1.766 -9.286 6.431 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.297 -7.401 7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.734 -10.095 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.016 -9.087 9.384 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.689 -9.188 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.337 -11.558 7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.652 -11.375 6.671 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.000 -11.827 8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.358 -9.882 8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.059 -10.087 9.901 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.420 -8.471 9.248 1.00 0.00 H new ATOM 1393 N GLY A 89 0.920 -6.194 9.138 1.00 0.00 N ATOM 1394 CA GLY A 89 1.717 -5.364 10.018 1.00 0.00 C ATOM 1395 C GLY A 89 2.766 -4.614 9.230 1.00 0.00 C ATOM 1396 O GLY A 89 3.324 -5.158 8.277 1.00 0.00 O ATOM 0 H GLY A 89 -0.054 -5.906 9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.074 -4.658 10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.197 -5.983 10.776 1.00 0.00 H new ATOM 1400 N ALA A 90 3.034 -3.366 9.594 1.00 0.00 N ATOM 1401 CA ALA A 90 4.018 -2.593 8.858 1.00 0.00 C ATOM 1402 C ALA A 90 5.422 -2.862 9.371 1.00 0.00 C ATOM 1403 O ALA A 90 5.805 -2.415 10.452 1.00 0.00 O ATOM 1404 CB ALA A 90 3.699 -1.111 8.940 1.00 0.00 C ATOM 0 H ALA A 90 2.594 -2.880 10.375 1.00 0.00 H new ATOM 0 HA ALA A 90 3.976 -2.903 7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.447 -0.547 8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.713 -0.927 8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.708 -0.794 9.983 1.00 0.00 H new ATOM 1410 N ASN A 91 6.191 -3.565 8.558 1.00 0.00 N ATOM 1411 CA ASN A 91 7.571 -3.879 8.872 1.00 0.00 C ATOM 1412 C ASN A 91 8.457 -3.330 7.767 1.00 0.00 C ATOM 1413 O ASN A 91 8.181 -3.550 6.588 1.00 0.00 O ATOM 1414 CB ASN A 91 7.761 -5.388 9.025 1.00 0.00 C ATOM 1415 CG ASN A 91 7.220 -5.907 10.342 1.00 0.00 C ATOM 1416 OD1 ASN A 91 7.969 -6.406 11.182 1.00 0.00 O ATOM 1417 ND2 ASN A 91 5.910 -5.794 10.529 1.00 0.00 N ATOM 0 H ASN A 91 5.875 -3.934 7.661 1.00 0.00 H new ATOM 0 HA ASN A 91 7.846 -3.419 9.821 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.261 -5.900 8.203 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.822 -5.627 8.951 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.488 -6.127 11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.326 -5.374 9.806 1.00 0.00 H new ATOM 1424 N ASP A 92 9.507 -2.610 8.127 1.00 0.00 N ATOM 1425 CA ASP A 92 10.382 -2.046 7.111 1.00 0.00 C ATOM 1426 C ASP A 92 11.083 -3.170 6.338 1.00 0.00 C ATOM 1427 O ASP A 92 11.200 -3.127 5.113 1.00 0.00 O ATOM 1428 CB ASP A 92 11.429 -1.144 7.767 1.00 0.00 C ATOM 1429 CG ASP A 92 12.162 -1.837 8.899 1.00 0.00 C ATOM 1430 OD1 ASP A 92 11.487 -2.399 9.787 1.00 0.00 O ATOM 1431 OD2 ASP A 92 13.411 -1.818 8.897 1.00 0.00 O ATOM 0 H ASP A 92 9.771 -2.405 9.091 1.00 0.00 H new ATOM 0 HA ASP A 92 9.782 -1.456 6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.149 -0.822 7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.943 -0.246 8.148 1.00 0.00 H new ATOM 1436 N SER A 93 11.540 -4.176 7.084 1.00 0.00 N ATOM 1437 CA SER A 93 12.231 -5.340 6.528 1.00 0.00 C ATOM 1438 C SER A 93 11.309 -6.300 5.770 1.00 0.00 C ATOM 1439 O SER A 93 11.702 -6.879 4.759 1.00 0.00 O ATOM 1440 CB SER A 93 12.946 -6.097 7.646 1.00 0.00 C ATOM 1441 OG SER A 93 13.355 -5.217 8.678 1.00 0.00 O ATOM 0 H SER A 93 11.440 -4.206 8.099 1.00 0.00 H new ATOM 0 HA SER A 93 12.946 -4.955 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.283 -6.859 8.055 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.815 -6.615 7.240 1.00 0.00 H new ATOM 0 HG SER A 93 13.808 -5.726 9.382 1.00 0.00 H new ATOM 1447 N ALA A 94 10.100 -6.499 6.284 1.00 0.00 N ATOM 1448 CA ALA A 94 9.154 -7.429 5.665 1.00 0.00 C ATOM 1449 C ALA A 94 8.662 -6.881 4.358 1.00 0.00 C ATOM 1450 O ALA A 94 8.493 -7.611 3.381 1.00 0.00 O ATOM 1451 CB ALA A 94 7.993 -7.726 6.600 1.00 0.00 C ATOM 0 H ALA A 94 9.751 -6.034 7.122 1.00 0.00 H new ATOM 0 HA ALA A 94 9.673 -8.367 5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.305 -8.419 6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.371 -8.173 7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.469 -6.800 6.835 1.00 0.00 H new ATOM 1457 N LEU A 95 8.466 -5.588 4.332 1.00 0.00 N ATOM 1458 CA LEU A 95 8.036 -4.936 3.130 1.00 0.00 C ATOM 1459 C LEU A 95 9.200 -4.893 2.154 1.00 0.00 C ATOM 1460 O LEU A 95 9.007 -4.948 0.943 1.00 0.00 O ATOM 1461 CB LEU A 95 7.559 -3.529 3.443 1.00 0.00 C ATOM 1462 CG LEU A 95 7.742 -2.537 2.302 1.00 0.00 C ATOM 1463 CD1 LEU A 95 6.463 -2.441 1.501 1.00 0.00 C ATOM 1464 CD2 LEU A 95 8.207 -1.189 2.825 1.00 0.00 C ATOM 0 H LEU A 95 8.598 -4.969 5.132 1.00 0.00 H new ATOM 0 HA LEU A 95 7.207 -5.487 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.503 -3.567 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.096 -3.162 4.318 1.00 0.00 H new ATOM 0 HG LEU A 95 8.525 -2.893 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.597 -1.730 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.215 -3.421 1.092 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.653 -2.103 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.330 -0.498 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.465 -0.792 3.518 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.159 -1.308 3.342 1.00 0.00 H new ATOM 1476 N LYS A 96 10.413 -4.800 2.702 1.00 0.00 N ATOM 1477 CA LYS A 96 11.618 -4.746 1.891 1.00 0.00 C ATOM 1478 C LYS A 96 11.648 -5.941 0.956 1.00 0.00 C ATOM 1479 O LYS A 96 11.843 -5.800 -0.250 1.00 0.00 O ATOM 1480 CB LYS A 96 12.859 -4.765 2.792 1.00 0.00 C ATOM 1481 CG LYS A 96 14.173 -4.954 2.045 1.00 0.00 C ATOM 1482 CD LYS A 96 14.586 -3.697 1.298 1.00 0.00 C ATOM 1483 CE LYS A 96 15.741 -2.990 1.990 1.00 0.00 C ATOM 1484 NZ LYS A 96 17.036 -3.688 1.760 1.00 0.00 N ATOM 0 H LYS A 96 10.581 -4.761 3.707 1.00 0.00 H new ATOM 0 HA LYS A 96 11.618 -3.825 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.903 -3.830 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.751 -5.567 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.956 -5.230 2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.074 -5.779 1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.875 -3.956 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.735 -3.020 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.811 -1.965 1.625 1.00 0.00 H new ATOM 0 HE3 LYS A 96 15.544 -2.934 3.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 17.798 -3.175 2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 16.978 -4.658 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 17.237 -3.719 0.740 1.00 0.00 H new ATOM 1498 N GLN A 97 11.440 -7.116 1.529 1.00 0.00 N ATOM 1499 CA GLN A 97 11.428 -8.341 0.752 1.00 0.00 C ATOM 1500 C GLN A 97 10.178 -8.425 -0.121 1.00 0.00 C ATOM 1501 O GLN A 97 10.217 -9.013 -1.201 1.00 0.00 O ATOM 1502 CB GLN A 97 11.529 -9.570 1.665 1.00 0.00 C ATOM 1503 CG GLN A 97 10.331 -9.768 2.583 1.00 0.00 C ATOM 1504 CD GLN A 97 10.487 -10.971 3.495 1.00 0.00 C ATOM 1505 OE1 GLN A 97 10.363 -12.115 3.058 1.00 0.00 O ATOM 1506 NE2 GLN A 97 10.758 -10.716 4.771 1.00 0.00 N ATOM 0 H GLN A 97 11.278 -7.245 2.528 1.00 0.00 H new ATOM 0 HA GLN A 97 12.300 -8.327 0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.649 -10.459 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.428 -9.483 2.274 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.191 -8.873 3.189 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.431 -9.889 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.852 -9.752 5.089 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.872 -11.485 5.432 1.00 0.00 H new ATOM 1515 N LEU A 98 9.065 -7.831 0.330 1.00 0.00 N ATOM 1516 CA LEU A 98 7.846 -7.861 -0.450 1.00 0.00 C ATOM 1517 C LEU A 98 8.001 -7.027 -1.718 1.00 0.00 C ATOM 1518 O LEU A 98 7.698 -7.487 -2.819 1.00 0.00 O ATOM 1519 CB LEU A 98 6.683 -7.345 0.396 1.00 0.00 C ATOM 1520 CG LEU A 98 5.415 -7.048 -0.391 1.00 0.00 C ATOM 1521 CD1 LEU A 98 4.220 -7.776 0.206 1.00 0.00 C ATOM 1522 CD2 LEU A 98 5.160 -5.550 -0.457 1.00 0.00 C ATOM 0 H LEU A 98 8.995 -7.334 1.218 1.00 0.00 H new ATOM 0 HA LEU A 98 7.639 -8.889 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.454 -8.083 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.998 -6.437 0.909 1.00 0.00 H new ATOM 0 HG LEU A 98 5.556 -7.413 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.327 -7.547 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.401 -8.851 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.075 -7.453 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.249 -5.361 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.048 -5.155 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.001 -5.059 -0.947 1.00 0.00 H new ATOM 1534 N ILE A 99 8.487 -5.803 -1.551 1.00 0.00 N ATOM 1535 CA ILE A 99 8.698 -4.905 -2.673 1.00 0.00 C ATOM 1536 C ILE A 99 9.833 -5.386 -3.554 1.00 0.00 C ATOM 1537 O ILE A 99 9.810 -5.222 -4.769 1.00 0.00 O ATOM 1538 CB ILE A 99 8.948 -3.442 -2.218 1.00 0.00 C ATOM 1539 CG1 ILE A 99 9.265 -2.580 -3.413 1.00 0.00 C ATOM 1540 CG2 ILE A 99 10.062 -3.282 -1.192 1.00 0.00 C ATOM 1541 CD1 ILE A 99 8.102 -2.408 -4.333 1.00 0.00 C ATOM 0 H ILE A 99 8.742 -5.411 -0.645 1.00 0.00 H new ATOM 0 HA ILE A 99 7.777 -4.913 -3.256 1.00 0.00 H new ATOM 0 HB ILE A 99 8.025 -3.128 -1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.597 -1.600 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.095 -3.023 -3.964 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.168 -2.229 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.818 -3.855 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 99 10.999 -3.648 -1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.393 -1.778 -5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.784 -3.383 -4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.279 -1.938 -3.795 1.00 0.00 H new ATOM 1553 N GLU A 100 10.821 -5.975 -2.930 1.00 0.00 N ATOM 1554 CA GLU A 100 11.975 -6.480 -3.637 1.00 0.00 C ATOM 1555 C GLU A 100 11.606 -7.617 -4.582 1.00 0.00 C ATOM 1556 O GLU A 100 12.232 -7.808 -5.621 1.00 0.00 O ATOM 1557 CB GLU A 100 13.034 -6.944 -2.640 1.00 0.00 C ATOM 1558 CG GLU A 100 14.046 -5.868 -2.283 1.00 0.00 C ATOM 1559 CD GLU A 100 15.395 -6.441 -1.894 1.00 0.00 C ATOM 1560 OE1 GLU A 100 15.859 -7.382 -2.572 1.00 0.00 O ATOM 1561 OE2 GLU A 100 15.988 -5.949 -0.911 1.00 0.00 O ATOM 0 H GLU A 100 10.850 -6.119 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 100 12.378 -5.668 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.540 -7.283 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.561 -7.803 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.172 -5.197 -3.133 1.00 0.00 H new ATOM 0 HG3 GLU A 100 13.658 -5.269 -1.459 1.00 0.00 H new ATOM 1568 N LYS A 101 10.620 -8.398 -4.186 1.00 0.00 N ATOM 1569 CA LYS A 101 10.196 -9.558 -4.960 1.00 0.00 C ATOM 1570 C LYS A 101 9.610 -9.198 -6.319 1.00 0.00 C ATOM 1571 O LYS A 101 9.935 -9.821 -7.330 1.00 0.00 O ATOM 1572 CB LYS A 101 9.131 -10.295 -4.158 1.00 0.00 C ATOM 1573 CG LYS A 101 9.462 -11.749 -3.863 1.00 0.00 C ATOM 1574 CD LYS A 101 8.341 -12.673 -4.319 1.00 0.00 C ATOM 1575 CE LYS A 101 8.018 -12.463 -5.788 1.00 0.00 C ATOM 1576 NZ LYS A 101 7.023 -13.451 -6.288 1.00 0.00 N ATOM 0 H LYS A 101 10.091 -8.252 -3.326 1.00 0.00 H new ATOM 0 HA LYS A 101 11.080 -10.169 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.977 -9.771 -3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.188 -10.253 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.390 -12.023 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.630 -11.877 -2.794 1.00 0.00 H new ATOM 0 HD2 LYS A 101 8.631 -13.710 -4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.450 -12.491 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.632 -11.454 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 101 8.933 -12.541 -6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 6.717 -13.182 -7.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.456 -14.396 -6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.200 -13.466 -5.653 1.00 0.00 H new ATOM 1590 N TYR A 102 8.736 -8.210 -6.335 1.00 0.00 N ATOM 1591 CA TYR A 102 8.091 -7.788 -7.567 1.00 0.00 C ATOM 1592 C TYR A 102 8.749 -6.550 -8.134 1.00 0.00 C ATOM 1593 O TYR A 102 8.708 -6.305 -9.339 1.00 0.00 O ATOM 1594 CB TYR A 102 6.609 -7.540 -7.314 1.00 0.00 C ATOM 1595 CG TYR A 102 6.026 -8.517 -6.328 1.00 0.00 C ATOM 1596 CD1 TYR A 102 5.829 -9.843 -6.682 1.00 0.00 C ATOM 1597 CD2 TYR A 102 5.705 -8.121 -5.039 1.00 0.00 C ATOM 1598 CE1 TYR A 102 5.326 -10.754 -5.778 1.00 0.00 C ATOM 1599 CE2 TYR A 102 5.191 -9.027 -4.127 1.00 0.00 C ATOM 1600 CZ TYR A 102 5.006 -10.343 -4.505 1.00 0.00 C ATOM 1601 OH TYR A 102 4.520 -11.256 -3.603 1.00 0.00 O ATOM 0 H TYR A 102 8.455 -7.683 -5.508 1.00 0.00 H new ATOM 0 HA TYR A 102 8.199 -8.584 -8.303 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.471 -6.525 -6.941 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.065 -7.610 -8.256 1.00 0.00 H new ATOM 0 HD1 TYR A 102 6.074 -10.167 -7.683 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.858 -7.094 -4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.184 -11.785 -6.068 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.936 -8.707 -3.127 1.00 0.00 H new ATOM 0 HH TYR A 102 5.199 -11.433 -2.919 1.00 0.00 H new ATOM 1611 N ALA A 103 9.347 -5.764 -7.252 1.00 0.00 N ATOM 1612 CA ALA A 103 9.998 -4.538 -7.662 1.00 0.00 C ATOM 1613 C ALA A 103 11.493 -4.738 -7.810 1.00 0.00 C ATOM 1614 O ALA A 103 12.118 -4.155 -8.695 1.00 0.00 O ATOM 1615 CB ALA A 103 9.692 -3.440 -6.665 1.00 0.00 C ATOM 0 H ALA A 103 9.393 -5.956 -6.251 1.00 0.00 H new ATOM 0 HA ALA A 103 9.611 -4.244 -8.638 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.184 -2.518 -6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.615 -3.279 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.057 -3.731 -5.680 1.00 0.00 H new ATOM 1621 N ALA A 104 12.069 -5.570 -6.950 1.00 0.00 N ATOM 1622 CA ALA A 104 13.500 -5.827 -7.027 1.00 0.00 C ATOM 1623 C ALA A 104 13.791 -7.196 -7.634 1.00 0.00 C ATOM 1624 CB ALA A 104 14.163 -5.690 -5.665 1.00 0.00 C ATOM 0 H ALA A 104 11.579 -6.068 -6.207 1.00 0.00 H new ATOM 0 HA ALA A 104 13.927 -5.071 -7.686 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.231 -5.888 -5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.014 -4.678 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.721 -6.405 -4.971 1.00 0.00 H new