USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.089) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.967 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.152 (180deg=-0.749) USER MOD Single : A 12 THR OG1 : rot -112:sc= -0.241! USER MOD Single : A 13 TYR OH : rot 30:sc= -0.774 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.198 K(o=-0.2,f=-3.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= -0.723 (180deg=-0.994) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= 0.00437 X(o=0.0044,f=-0.065) USER MOD Single : A 38 HIS : no HD1:sc= -0.172 X(o=-0.17,f=-0.41) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot -174:sc=-0.00616 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= -0.143 (180deg=-0.649) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 22:sc= 0.893 USER MOD Single : A 78 SER OG : rot 55:sc= 0.849 USER MOD Single : A 94 SER OG : rot 43:sc= 0.971 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc=-0.00187 X(o=-0.0019,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.323 -2.282 3.654 1.00 0.00 N ATOM 2 CA ALA A 1 2.246 -1.865 2.606 1.00 0.00 C ATOM 3 C ALA A 1 3.687 -2.193 2.980 1.00 0.00 C ATOM 4 O ALA A 1 4.304 -3.083 2.396 1.00 0.00 O ATOM 5 CB ALA A 1 2.096 -0.376 2.332 1.00 0.00 C ATOM 0 H1 ALA A 1 0.350 -2.047 3.373 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.403 -3.309 3.799 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.557 -1.788 4.539 1.00 0.00 H new ATOM 0 HA ALA A 1 1.999 -2.417 1.699 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.791 -0.079 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.076 -0.166 2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 1 2.313 0.185 3.241 1.00 0.00 H new ATOM 11 N GLY A 2 4.220 -1.468 3.959 1.00 0.00 N ATOM 12 CA GLY A 2 5.585 -1.697 4.394 1.00 0.00 C ATOM 13 C GLY A 2 6.491 -0.517 4.105 1.00 0.00 C ATOM 14 O GLY A 2 6.421 0.509 4.783 1.00 0.00 O ATOM 0 H GLY A 2 3.730 -0.726 4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.592 -1.903 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.978 -2.583 3.896 1.00 0.00 H new ATOM 18 N SER A 3 7.346 -0.662 3.098 1.00 0.00 N ATOM 19 CA SER A 3 8.274 0.399 2.724 1.00 0.00 C ATOM 20 C SER A 3 9.274 0.666 3.846 1.00 0.00 C ATOM 21 O SER A 3 8.915 1.182 4.904 1.00 0.00 O ATOM 22 CB SER A 3 7.509 1.682 2.392 1.00 0.00 C ATOM 23 OG SER A 3 6.373 1.405 1.591 1.00 0.00 O ATOM 0 H SER A 3 7.415 -1.504 2.526 1.00 0.00 H new ATOM 0 HA SER A 3 8.823 0.073 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.197 2.172 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.166 2.376 1.869 1.00 0.00 H new ATOM 0 HG SER A 3 5.900 2.240 1.394 1.00 0.00 H new ATOM 29 N LYS A 4 10.531 0.310 3.606 1.00 0.00 N ATOM 30 CA LYS A 4 11.586 0.510 4.593 1.00 0.00 C ATOM 31 C LYS A 4 12.916 -0.038 4.087 1.00 0.00 C ATOM 32 O LYS A 4 13.078 -0.299 2.894 1.00 0.00 O ATOM 33 CB LYS A 4 11.212 -0.167 5.913 1.00 0.00 C ATOM 34 CG LYS A 4 11.406 0.723 7.129 1.00 0.00 C ATOM 35 CD LYS A 4 10.906 0.051 8.397 1.00 0.00 C ATOM 36 CE LYS A 4 9.442 0.370 8.656 1.00 0.00 C ATOM 37 NZ LYS A 4 8.548 -0.743 8.229 1.00 0.00 N ATOM 0 H LYS A 4 10.845 -0.119 2.735 1.00 0.00 H new ATOM 0 HA LYS A 4 11.695 1.582 4.759 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.170 -0.483 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.814 -1.068 6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.463 0.967 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.875 1.664 6.981 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.035 -1.028 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.507 0.379 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.295 0.567 9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.169 1.280 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.595 -0.590 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.500 -0.771 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.924 -1.646 8.583 1.00 0.00 H new ATOM 51 N LEU A 5 13.864 -0.213 5.000 1.00 0.00 N ATOM 52 CA LEU A 5 15.181 -0.732 4.647 1.00 0.00 C ATOM 53 C LEU A 5 15.179 -2.258 4.634 1.00 0.00 C ATOM 54 O LEU A 5 14.424 -2.895 5.369 1.00 0.00 O ATOM 55 CB LEU A 5 16.234 -0.221 5.632 1.00 0.00 C ATOM 56 CG LEU A 5 16.473 1.289 5.634 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.268 1.860 7.029 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.872 1.608 5.126 1.00 0.00 C ATOM 0 H LEU A 5 13.746 -0.003 5.991 1.00 0.00 H new ATOM 0 HA LEU A 5 15.427 -0.378 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.940 -0.524 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 5 17.179 -0.718 5.413 1.00 0.00 H new ATOM 0 HG LEU A 5 15.750 1.753 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.442 2.936 7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.247 1.663 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.967 1.391 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.025 2.687 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 5 18.611 1.132 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.984 1.233 4.108 1.00 0.00 H new ATOM 70 N CYS A 6 16.030 -2.838 3.794 1.00 0.00 N ATOM 71 CA CYS A 6 16.128 -4.289 3.686 1.00 0.00 C ATOM 72 C CYS A 6 17.538 -4.765 4.020 1.00 0.00 C ATOM 73 O CYS A 6 18.523 -4.216 3.526 1.00 0.00 O ATOM 74 CB CYS A 6 15.746 -4.742 2.275 1.00 0.00 C ATOM 75 SG CYS A 6 13.967 -5.073 2.057 1.00 0.00 S ATOM 0 H CYS A 6 16.662 -2.326 3.178 1.00 0.00 H new ATOM 0 HA CYS A 6 15.435 -4.730 4.403 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.052 -3.975 1.563 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.305 -5.645 2.031 1.00 0.00 H new ATOM 80 N GLU A 7 17.627 -5.790 4.863 1.00 0.00 N ATOM 81 CA GLU A 7 18.917 -6.339 5.263 1.00 0.00 C ATOM 82 C GLU A 7 19.089 -7.761 4.738 1.00 0.00 C ATOM 83 O GLU A 7 18.162 -8.570 4.787 1.00 0.00 O ATOM 84 CB GLU A 7 19.050 -6.326 6.788 1.00 0.00 C ATOM 85 CG GLU A 7 18.199 -7.377 7.481 1.00 0.00 C ATOM 86 CD GLU A 7 18.968 -8.652 7.770 1.00 0.00 C ATOM 87 OE1 GLU A 7 20.173 -8.562 8.083 1.00 0.00 O ATOM 88 OE2 GLU A 7 18.362 -9.741 7.682 1.00 0.00 O ATOM 0 H GLU A 7 16.822 -6.256 5.281 1.00 0.00 H new ATOM 0 HA GLU A 7 19.699 -5.714 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.095 -6.483 7.055 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.770 -5.341 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.814 -6.969 8.416 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.337 -7.611 6.856 1.00 0.00 H new ATOM 95 N LYS A 8 20.283 -8.059 4.236 1.00 0.00 N ATOM 96 CA LYS A 8 20.579 -9.383 3.702 1.00 0.00 C ATOM 97 C LYS A 8 21.764 -10.011 4.429 1.00 0.00 C ATOM 98 O LYS A 8 22.880 -9.490 4.386 1.00 0.00 O ATOM 99 CB LYS A 8 20.875 -9.296 2.203 1.00 0.00 C ATOM 100 CG LYS A 8 19.713 -8.762 1.383 1.00 0.00 C ATOM 101 CD LYS A 8 19.844 -7.268 1.138 1.00 0.00 C ATOM 102 CE LYS A 8 18.535 -6.667 0.649 1.00 0.00 C ATOM 103 NZ LYS A 8 18.418 -6.724 -0.834 1.00 0.00 N ATOM 0 H LYS A 8 21.061 -7.401 4.188 1.00 0.00 H new ATOM 0 HA LYS A 8 19.704 -10.014 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.742 -8.654 2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.143 -10.287 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.669 -9.286 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.776 -8.966 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.151 -6.773 2.059 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.627 -7.086 0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.699 -7.202 1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.466 -5.631 0.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.513 -6.305 -1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 19.201 -6.192 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.458 -7.715 -1.148 1.00 0.00 H new ATOM 117 N THR A 9 21.516 -11.133 5.097 1.00 0.00 N ATOM 118 CA THR A 9 22.562 -11.832 5.833 1.00 0.00 C ATOM 119 C THR A 9 23.250 -12.872 4.957 1.00 0.00 C ATOM 120 O THR A 9 23.454 -14.012 5.374 1.00 0.00 O ATOM 121 CB THR A 9 21.999 -12.525 7.088 1.00 0.00 C ATOM 122 OG1 THR A 9 20.819 -11.847 7.534 1.00 0.00 O ATOM 123 CG2 THR A 9 23.032 -12.545 8.205 1.00 0.00 C ATOM 0 H THR A 9 20.599 -11.577 5.143 1.00 0.00 H new ATOM 0 HA THR A 9 23.290 -11.080 6.138 1.00 0.00 H new ATOM 0 HB THR A 9 21.750 -13.554 6.827 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.466 -12.294 8.331 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.611 -13.039 9.081 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.917 -13.087 7.872 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.308 -11.523 8.463 1.00 0.00 H new ATOM 131 N SER A 10 23.607 -12.472 3.740 1.00 0.00 N ATOM 132 CA SER A 10 24.270 -13.372 2.804 1.00 0.00 C ATOM 133 C SER A 10 23.398 -14.590 2.511 1.00 0.00 C ATOM 134 O SER A 10 23.239 -15.472 3.354 1.00 0.00 O ATOM 135 CB SER A 10 25.620 -13.821 3.364 1.00 0.00 C ATOM 136 OG SER A 10 26.311 -14.639 2.436 1.00 0.00 O ATOM 0 H SER A 10 23.448 -11.531 3.380 1.00 0.00 H new ATOM 0 HA SER A 10 24.433 -12.831 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.226 -12.948 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.467 -14.369 4.294 1.00 0.00 H new ATOM 0 HG SER A 10 27.172 -14.911 2.817 1.00 0.00 H new ATOM 142 N LYS A 11 22.834 -14.630 1.308 1.00 0.00 N ATOM 143 CA LYS A 11 21.979 -15.738 0.901 1.00 0.00 C ATOM 144 C LYS A 11 22.389 -16.267 -0.470 1.00 0.00 C ATOM 145 O LYS A 11 21.549 -16.709 -1.254 1.00 0.00 O ATOM 146 CB LYS A 11 20.514 -15.295 0.870 1.00 0.00 C ATOM 147 CG LYS A 11 20.321 -13.868 0.387 1.00 0.00 C ATOM 148 CD LYS A 11 20.292 -12.886 1.546 1.00 0.00 C ATOM 149 CE LYS A 11 19.135 -11.906 1.418 1.00 0.00 C ATOM 150 NZ LYS A 11 17.820 -12.603 1.376 1.00 0.00 N ATOM 0 H LYS A 11 22.954 -13.907 0.598 1.00 0.00 H new ATOM 0 HA LYS A 11 22.095 -16.540 1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 11 19.953 -15.968 0.222 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.093 -15.391 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 11 21.128 -13.602 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.390 -13.796 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.205 -13.432 2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 11 21.233 -12.337 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.152 -11.213 2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.260 -11.312 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.091 -11.996 1.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.566 -12.806 0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.882 -13.495 1.908 1.00 0.00 H new ATOM 164 N THR A 12 23.688 -16.220 -0.753 1.00 0.00 N ATOM 165 CA THR A 12 24.210 -16.694 -2.028 1.00 0.00 C ATOM 166 C THR A 12 25.704 -16.418 -2.147 1.00 0.00 C ATOM 167 O THR A 12 26.415 -17.101 -2.885 1.00 0.00 O ATOM 168 CB THR A 12 23.481 -16.035 -3.214 1.00 0.00 C ATOM 169 OG1 THR A 12 24.228 -16.233 -4.419 1.00 0.00 O ATOM 170 CG2 THR A 12 23.288 -14.545 -2.970 1.00 0.00 C ATOM 0 H THR A 12 24.397 -15.858 -0.115 1.00 0.00 H new ATOM 0 HA THR A 12 24.039 -17.770 -2.059 1.00 0.00 H new ATOM 0 HB THR A 12 22.501 -16.501 -3.314 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.581 -15.373 -4.730 1.00 0.00 H new ATOM 0 HG21 THR A 12 22.771 -14.101 -3.821 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.694 -14.398 -2.068 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.260 -14.068 -2.847 1.00 0.00 H new ATOM 178 N TYR A 13 26.175 -15.414 -1.416 1.00 0.00 N ATOM 179 CA TYR A 13 27.586 -15.046 -1.442 1.00 0.00 C ATOM 180 C TYR A 13 28.473 -16.285 -1.365 1.00 0.00 C ATOM 181 O TYR A 13 29.033 -16.726 -2.369 1.00 0.00 O ATOM 182 CB TYR A 13 27.910 -14.101 -0.284 1.00 0.00 C ATOM 183 CG TYR A 13 29.355 -13.660 -0.247 1.00 0.00 C ATOM 184 CD1 TYR A 13 29.853 -12.765 -1.187 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.224 -14.139 0.725 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.174 -12.360 -1.158 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.546 -13.738 0.763 1.00 0.00 C ATOM 188 CZ TYR A 13 32.016 -12.849 -0.181 1.00 0.00 C ATOM 189 OH TYR A 13 33.332 -12.449 -0.148 1.00 0.00 O ATOM 0 H TYR A 13 25.601 -14.840 -0.798 1.00 0.00 H new ATOM 0 HA TYR A 13 27.785 -14.536 -2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.272 -13.220 -0.356 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.666 -14.595 0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.196 -12.380 -1.953 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.860 -14.837 1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.545 -11.664 -1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.207 -14.119 1.527 1.00 0.00 H new ATOM 0 HH TYR A 13 33.407 -11.541 -0.508 1.00 0.00 H new ATOM 199 N SER A 14 28.596 -16.843 -0.164 1.00 0.00 N ATOM 200 CA SER A 14 29.417 -18.029 0.047 1.00 0.00 C ATOM 201 C SER A 14 30.808 -17.842 -0.553 1.00 0.00 C ATOM 202 O SER A 14 31.181 -16.739 -0.951 1.00 0.00 O ATOM 203 CB SER A 14 28.745 -19.257 -0.570 1.00 0.00 C ATOM 204 OG SER A 14 27.365 -19.298 -0.251 1.00 0.00 O ATOM 0 H SER A 14 28.137 -16.492 0.677 1.00 0.00 H new ATOM 0 HA SER A 14 29.521 -18.181 1.121 1.00 0.00 H new ATOM 0 HB2 SER A 14 28.871 -19.239 -1.653 1.00 0.00 H new ATOM 0 HB3 SER A 14 29.232 -20.162 -0.208 1.00 0.00 H new ATOM 0 HG SER A 14 26.958 -20.091 -0.659 1.00 0.00 H new ATOM 210 N GLY A 15 31.571 -18.929 -0.614 1.00 0.00 N ATOM 211 CA GLY A 15 32.912 -18.864 -1.166 1.00 0.00 C ATOM 212 C GLY A 15 33.773 -17.825 -0.476 1.00 0.00 C ATOM 213 O GLY A 15 33.724 -16.642 -0.815 1.00 0.00 O ATOM 0 H GLY A 15 31.285 -19.853 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 15 33.386 -19.841 -1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 15 32.853 -18.634 -2.230 1.00 0.00 H new ATOM 217 N LYS A 16 34.563 -18.265 0.497 1.00 0.00 N ATOM 218 CA LYS A 16 35.439 -17.365 1.238 1.00 0.00 C ATOM 219 C LYS A 16 34.709 -16.078 1.608 1.00 0.00 C ATOM 220 O LYS A 16 33.481 -16.011 1.554 1.00 0.00 O ATOM 221 CB LYS A 16 36.685 -17.038 0.412 1.00 0.00 C ATOM 222 CG LYS A 16 36.434 -16.025 -0.692 1.00 0.00 C ATOM 223 CD LYS A 16 36.274 -16.702 -2.043 1.00 0.00 C ATOM 224 CE LYS A 16 37.379 -16.293 -3.006 1.00 0.00 C ATOM 225 NZ LYS A 16 37.160 -16.849 -4.370 1.00 0.00 N ATOM 0 H LYS A 16 34.615 -19.240 0.791 1.00 0.00 H new ATOM 0 HA LYS A 16 35.741 -17.867 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 16 37.460 -16.655 1.076 1.00 0.00 H new ATOM 0 HB3 LYS A 16 37.069 -17.957 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.536 -15.451 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 16 37.263 -15.318 -0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 16 36.286 -17.784 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 16 35.305 -16.443 -2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 16 37.429 -15.206 -3.061 1.00 0.00 H new ATOM 0 HE3 LYS A 16 38.340 -16.637 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 37.934 -16.548 -4.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 37.138 -17.888 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 36.255 -16.500 -4.746 1.00 0.00 H new ATOM 239 N CYS A 17 35.473 -15.056 1.982 1.00 0.00 N ATOM 240 CA CYS A 17 34.900 -13.770 2.360 1.00 0.00 C ATOM 241 C CYS A 17 35.928 -12.653 2.214 1.00 0.00 C ATOM 242 O CYS A 17 37.134 -12.898 2.237 1.00 0.00 O ATOM 243 CB CYS A 17 34.386 -13.821 3.800 1.00 0.00 C ATOM 244 SG CYS A 17 32.836 -12.902 4.069 1.00 0.00 S ATOM 0 H CYS A 17 36.491 -15.094 2.031 1.00 0.00 H new ATOM 0 HA CYS A 17 34.065 -13.561 1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 17 34.232 -14.862 4.083 1.00 0.00 H new ATOM 0 HB3 CYS A 17 35.153 -13.420 4.463 1.00 0.00 H new ATOM 249 N ASP A 18 35.442 -11.425 2.066 1.00 0.00 N ATOM 250 CA ASP A 18 36.319 -10.269 1.918 1.00 0.00 C ATOM 251 C ASP A 18 35.554 -8.972 2.166 1.00 0.00 C ATOM 252 O ASP A 18 34.431 -8.989 2.667 1.00 0.00 O ATOM 253 CB ASP A 18 36.940 -10.249 0.521 1.00 0.00 C ATOM 254 CG ASP A 18 38.416 -9.904 0.549 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.844 -9.203 1.490 1.00 0.00 O ATOM 256 OD2 ASP A 18 39.144 -10.334 -0.371 1.00 0.00 O ATOM 0 H ASP A 18 34.446 -11.205 2.045 1.00 0.00 H new ATOM 0 HA ASP A 18 37.114 -10.349 2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.807 -11.224 0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.412 -9.524 -0.098 1.00 0.00 H new ATOM 261 N ASN A 19 36.172 -7.850 1.814 1.00 0.00 N ATOM 262 CA ASN A 19 35.550 -6.544 2.000 1.00 0.00 C ATOM 263 C ASN A 19 34.879 -6.072 0.714 1.00 0.00 C ATOM 264 O ASN A 19 33.655 -5.955 0.645 1.00 0.00 O ATOM 265 CB ASN A 19 36.593 -5.519 2.450 1.00 0.00 C ATOM 266 CG ASN A 19 37.954 -5.768 1.829 1.00 0.00 C ATOM 267 OD1 ASN A 19 38.250 -5.278 0.739 1.00 0.00 O ATOM 268 ND2 ASN A 19 38.790 -6.533 2.521 1.00 0.00 N ATOM 0 H ASN A 19 37.103 -7.818 1.398 1.00 0.00 H new ATOM 0 HA ASN A 19 34.787 -6.640 2.772 1.00 0.00 H new ATOM 0 HB2 ASN A 19 36.253 -4.518 2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 19 36.681 -5.548 3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 19 39.720 -6.735 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 19 38.503 -6.918 3.421 1.00 0.00 H new ATOM 275 N LYS A 20 35.689 -5.802 -0.305 1.00 0.00 N ATOM 276 CA LYS A 20 35.175 -5.345 -1.591 1.00 0.00 C ATOM 277 C LYS A 20 34.391 -6.452 -2.288 1.00 0.00 C ATOM 278 O LYS A 20 33.383 -6.194 -2.945 1.00 0.00 O ATOM 279 CB LYS A 20 36.326 -4.878 -2.485 1.00 0.00 C ATOM 280 CG LYS A 20 35.921 -3.814 -3.491 1.00 0.00 C ATOM 281 CD LYS A 20 36.076 -4.308 -4.919 1.00 0.00 C ATOM 282 CE LYS A 20 35.039 -3.685 -5.841 1.00 0.00 C ATOM 283 NZ LYS A 20 35.654 -3.157 -7.091 1.00 0.00 N ATOM 0 H LYS A 20 36.704 -5.892 -0.265 1.00 0.00 H new ATOM 0 HA LYS A 20 34.501 -4.508 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 20 37.127 -4.487 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.731 -5.737 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.885 -3.523 -3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.532 -2.923 -3.345 1.00 0.00 H new ATOM 0 HD2 LYS A 20 37.076 -4.069 -5.281 1.00 0.00 H new ATOM 0 HD3 LYS A 20 35.979 -5.393 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 20 34.284 -4.429 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 20 34.527 -2.877 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 34.915 -2.741 -7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 36.356 -2.428 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 36.121 -3.933 -7.603 1.00 0.00 H new ATOM 297 N LYS A 21 34.861 -7.686 -2.141 1.00 0.00 N ATOM 298 CA LYS A 21 34.203 -8.834 -2.754 1.00 0.00 C ATOM 299 C LYS A 21 32.777 -8.985 -2.235 1.00 0.00 C ATOM 300 O LYS A 21 31.852 -9.256 -3.001 1.00 0.00 O ATOM 301 CB LYS A 21 34.997 -10.112 -2.476 1.00 0.00 C ATOM 302 CG LYS A 21 36.362 -10.138 -3.142 1.00 0.00 C ATOM 303 CD LYS A 21 36.251 -9.959 -4.647 1.00 0.00 C ATOM 304 CE LYS A 21 36.568 -8.531 -5.063 1.00 0.00 C ATOM 305 NZ LYS A 21 35.560 -7.995 -6.019 1.00 0.00 N ATOM 0 H LYS A 21 35.696 -7.917 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 21 34.163 -8.666 -3.830 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.125 -10.223 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.419 -10.970 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.986 -9.347 -2.726 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.857 -11.084 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.934 -10.645 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.244 -10.219 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 21 36.604 -7.895 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 21 37.557 -8.497 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 36.017 -7.315 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 35.158 -8.777 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 34.801 -7.518 -5.492 1.00 0.00 H new ATOM 319 N CYS A 22 32.605 -8.808 -0.929 1.00 0.00 N ATOM 320 CA CYS A 22 31.292 -8.924 -0.307 1.00 0.00 C ATOM 321 C CYS A 22 30.391 -7.762 -0.718 1.00 0.00 C ATOM 322 O CYS A 22 29.306 -7.967 -1.263 1.00 0.00 O ATOM 323 CB CYS A 22 31.428 -8.964 1.216 1.00 0.00 C ATOM 324 SG CYS A 22 30.724 -10.457 1.986 1.00 0.00 S ATOM 0 H CYS A 22 33.360 -8.583 -0.281 1.00 0.00 H new ATOM 0 HA CYS A 22 30.836 -9.853 -0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.484 -8.897 1.478 1.00 0.00 H new ATOM 0 HB3 CYS A 22 30.939 -8.086 1.637 1.00 0.00 H new ATOM 329 N ASP A 23 30.849 -6.544 -0.454 1.00 0.00 N ATOM 330 CA ASP A 23 30.086 -5.349 -0.797 1.00 0.00 C ATOM 331 C ASP A 23 29.700 -5.356 -2.273 1.00 0.00 C ATOM 332 O ASP A 23 28.553 -5.081 -2.627 1.00 0.00 O ATOM 333 CB ASP A 23 30.895 -4.092 -0.475 1.00 0.00 C ATOM 334 CG ASP A 23 30.014 -2.881 -0.237 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.805 -2.959 -0.542 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.532 -1.856 0.252 1.00 0.00 O ATOM 0 H ASP A 23 31.745 -6.357 -0.004 1.00 0.00 H new ATOM 0 HA ASP A 23 29.173 -5.347 -0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.505 -4.273 0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.580 -3.884 -1.297 1.00 0.00 H new ATOM 341 N LYS A 24 30.665 -5.672 -3.130 1.00 0.00 N ATOM 342 CA LYS A 24 30.427 -5.715 -4.568 1.00 0.00 C ATOM 343 C LYS A 24 29.439 -6.822 -4.923 1.00 0.00 C ATOM 344 O LYS A 24 28.481 -6.600 -5.663 1.00 0.00 O ATOM 345 CB LYS A 24 31.744 -5.933 -5.317 1.00 0.00 C ATOM 346 CG LYS A 24 31.562 -6.202 -6.801 1.00 0.00 C ATOM 347 CD LYS A 24 32.897 -6.405 -7.498 1.00 0.00 C ATOM 348 CE LYS A 24 32.870 -7.622 -8.409 1.00 0.00 C ATOM 349 NZ LYS A 24 33.744 -7.442 -9.602 1.00 0.00 N ATOM 0 H LYS A 24 31.619 -5.902 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 24 29.998 -4.759 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.374 -5.053 -5.190 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.274 -6.772 -4.866 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.941 -7.087 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.033 -5.367 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.143 -5.518 -8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.683 -6.524 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.194 -8.501 -7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.847 -7.810 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.698 -8.293 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.420 -6.619 -10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.725 -7.288 -9.293 1.00 0.00 H new ATOM 363 N LYS A 25 29.678 -8.016 -4.389 1.00 0.00 N ATOM 364 CA LYS A 25 28.809 -9.157 -4.646 1.00 0.00 C ATOM 365 C LYS A 25 27.390 -8.882 -4.158 1.00 0.00 C ATOM 366 O LYS A 25 26.432 -9.499 -4.624 1.00 0.00 O ATOM 367 CB LYS A 25 29.362 -10.410 -3.962 1.00 0.00 C ATOM 368 CG LYS A 25 28.653 -11.689 -4.372 1.00 0.00 C ATOM 369 CD LYS A 25 29.641 -12.813 -4.637 1.00 0.00 C ATOM 370 CE LYS A 25 30.307 -12.661 -5.996 1.00 0.00 C ATOM 371 NZ LYS A 25 31.301 -13.740 -6.250 1.00 0.00 N ATOM 0 H LYS A 25 30.467 -8.217 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 25 28.778 -9.322 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.423 -10.502 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.281 -10.290 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 25 27.960 -11.990 -3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 25 28.059 -11.506 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 25 30.402 -12.821 -3.857 1.00 0.00 H new ATOM 0 HD3 LYS A 25 29.125 -13.772 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 25 29.547 -12.676 -6.777 1.00 0.00 H new ATOM 0 HE3 LYS A 25 30.801 -11.691 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 31.733 -13.601 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 32.041 -13.710 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 30.825 -14.664 -6.222 1.00 0.00 H new ATOM 385 N CYS A 26 27.263 -7.952 -3.217 1.00 0.00 N ATOM 386 CA CYS A 26 25.962 -7.594 -2.666 1.00 0.00 C ATOM 387 C CYS A 26 25.151 -6.780 -3.670 1.00 0.00 C ATOM 388 O CYS A 26 23.997 -7.101 -3.957 1.00 0.00 O ATOM 389 CB CYS A 26 26.135 -6.799 -1.370 1.00 0.00 C ATOM 390 SG CYS A 26 26.310 -7.834 0.119 1.00 0.00 S ATOM 0 H CYS A 26 28.046 -7.433 -2.820 1.00 0.00 H new ATOM 0 HA CYS A 26 25.421 -8.515 -2.450 1.00 0.00 H new ATOM 0 HB2 CYS A 26 27.014 -6.162 -1.462 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.276 -6.140 -1.243 1.00 0.00 H new ATOM 395 N ILE A 27 25.762 -5.726 -4.200 1.00 0.00 N ATOM 396 CA ILE A 27 25.098 -4.868 -5.173 1.00 0.00 C ATOM 397 C ILE A 27 25.078 -5.514 -6.554 1.00 0.00 C ATOM 398 O ILE A 27 24.311 -5.112 -7.427 1.00 0.00 O ATOM 399 CB ILE A 27 25.785 -3.493 -5.272 1.00 0.00 C ATOM 400 CG1 ILE A 27 26.038 -2.923 -3.875 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.935 -2.535 -6.094 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.498 -2.644 -3.592 1.00 0.00 C ATOM 0 H ILE A 27 26.716 -5.446 -3.972 1.00 0.00 H new ATOM 0 HA ILE A 27 24.074 -4.730 -4.825 1.00 0.00 H new ATOM 0 HB ILE A 27 26.745 -3.618 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.471 -1.999 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.659 -3.624 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.433 -1.567 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.800 -2.938 -7.098 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.962 -2.412 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.603 -2.242 -2.584 1.00 0.00 H new ATOM 0 HD12 ILE A 27 28.068 -3.569 -3.675 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.876 -1.919 -4.313 1.00 0.00 H new ATOM 414 N GLU A 28 25.927 -6.520 -6.743 1.00 0.00 N ATOM 415 CA GLU A 28 26.006 -7.223 -8.018 1.00 0.00 C ATOM 416 C GLU A 28 24.918 -8.288 -8.120 1.00 0.00 C ATOM 417 O GLU A 28 24.266 -8.427 -9.155 1.00 0.00 O ATOM 418 CB GLU A 28 27.384 -7.867 -8.186 1.00 0.00 C ATOM 419 CG GLU A 28 28.453 -6.900 -8.665 1.00 0.00 C ATOM 420 CD GLU A 28 28.884 -7.167 -10.094 1.00 0.00 C ATOM 421 OE1 GLU A 28 28.081 -6.904 -11.014 1.00 0.00 O ATOM 422 OE2 GLU A 28 30.023 -7.639 -10.293 1.00 0.00 O ATOM 0 H GLU A 28 26.569 -6.866 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 28 25.854 -6.496 -8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.694 -8.295 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.307 -8.691 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.076 -5.880 -8.588 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.321 -6.969 -8.009 1.00 0.00 H new ATOM 429 N TRP A 29 24.729 -9.037 -7.040 1.00 0.00 N ATOM 430 CA TRP A 29 23.721 -10.091 -7.008 1.00 0.00 C ATOM 431 C TRP A 29 22.498 -9.650 -6.213 1.00 0.00 C ATOM 432 O TRP A 29 21.367 -9.765 -6.684 1.00 0.00 O ATOM 433 CB TRP A 29 24.307 -11.367 -6.400 1.00 0.00 C ATOM 434 CG TRP A 29 25.259 -12.077 -7.314 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.080 -11.508 -8.245 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.487 -13.489 -7.385 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.805 -12.481 -8.890 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.460 -13.705 -8.381 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.965 -14.592 -6.703 1.00 0.00 C ATOM 440 CZ2 TRP A 29 26.918 -14.977 -8.710 1.00 0.00 C ATOM 441 CZ3 TRP A 29 25.421 -15.854 -7.031 1.00 0.00 C ATOM 442 CH2 TRP A 29 26.390 -16.039 -8.026 1.00 0.00 C ATOM 0 H TRP A 29 25.260 -8.934 -6.175 1.00 0.00 H new ATOM 0 HA TRP A 29 23.411 -10.294 -8.033 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.823 -11.116 -5.473 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.493 -12.043 -6.138 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.149 -10.449 -8.445 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.489 -12.318 -9.628 1.00 0.00 H new ATOM 0 HE3 TRP A 29 24.219 -14.460 -5.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 27.664 -15.121 -9.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 25.024 -16.713 -6.511 1.00 0.00 H new ATOM 0 HH2 TRP A 29 26.727 -17.039 -8.258 1.00 0.00 H new ATOM 453 N GLU A 30 22.732 -9.144 -5.006 1.00 0.00 N ATOM 454 CA GLU A 30 21.647 -8.686 -4.147 1.00 0.00 C ATOM 455 C GLU A 30 21.235 -7.260 -4.504 1.00 0.00 C ATOM 456 O GLU A 30 20.285 -6.716 -3.939 1.00 0.00 O ATOM 457 CB GLU A 30 22.067 -8.754 -2.677 1.00 0.00 C ATOM 458 CG GLU A 30 23.003 -9.909 -2.365 1.00 0.00 C ATOM 459 CD GLU A 30 23.295 -10.040 -0.882 1.00 0.00 C ATOM 460 OE1 GLU A 30 22.921 -9.124 -0.121 1.00 0.00 O ATOM 461 OE2 GLU A 30 23.897 -11.059 -0.484 1.00 0.00 O ATOM 0 H GLU A 30 23.663 -9.041 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 30 20.792 -9.343 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.554 -7.818 -2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.175 -8.842 -2.057 1.00 0.00 H new ATOM 0 HG2 GLU A 30 22.562 -10.837 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 30 23.940 -9.769 -2.905 1.00 0.00 H new ATOM 468 N LYS A 31 21.956 -6.660 -5.445 1.00 0.00 N ATOM 469 CA LYS A 31 21.667 -5.299 -5.879 1.00 0.00 C ATOM 470 C LYS A 31 21.426 -4.385 -4.682 1.00 0.00 C ATOM 471 O LYS A 31 20.613 -3.464 -4.746 1.00 0.00 O ATOM 472 CB LYS A 31 20.444 -5.284 -6.799 1.00 0.00 C ATOM 473 CG LYS A 31 20.502 -6.324 -7.905 1.00 0.00 C ATOM 474 CD LYS A 31 21.820 -6.264 -8.659 1.00 0.00 C ATOM 475 CE LYS A 31 22.063 -4.881 -9.245 1.00 0.00 C ATOM 476 NZ LYS A 31 23.000 -4.927 -10.402 1.00 0.00 N ATOM 0 H LYS A 31 22.745 -7.096 -5.922 1.00 0.00 H new ATOM 0 HA LYS A 31 22.533 -4.929 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.548 -5.451 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.349 -4.295 -7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.371 -7.318 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.677 -6.164 -8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.637 -6.525 -7.987 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.817 -7.004 -9.459 1.00 0.00 H new ATOM 0 HE2 LYS A 31 21.114 -4.449 -9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.469 -4.226 -8.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 23.140 -3.966 -10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 23.914 -5.316 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.601 -5.532 -11.148 1.00 0.00 H new ATOM 490 N ALA A 32 22.138 -4.647 -3.591 1.00 0.00 N ATOM 491 CA ALA A 32 22.004 -3.846 -2.380 1.00 0.00 C ATOM 492 C ALA A 32 22.757 -2.526 -2.509 1.00 0.00 C ATOM 493 O ALA A 32 23.213 -2.165 -3.594 1.00 0.00 O ATOM 494 CB ALA A 32 22.504 -4.625 -1.173 1.00 0.00 C ATOM 0 H ALA A 32 22.814 -5.408 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 32 20.947 -3.619 -2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.398 -4.014 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.919 -5.538 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.554 -4.882 -1.315 1.00 0.00 H new ATOM 500 N GLN A 33 22.882 -1.810 -1.396 1.00 0.00 N ATOM 501 CA GLN A 33 23.578 -0.529 -1.387 1.00 0.00 C ATOM 502 C GLN A 33 24.929 -0.649 -0.690 1.00 0.00 C ATOM 503 O GLN A 33 25.949 -0.190 -1.206 1.00 0.00 O ATOM 504 CB GLN A 33 22.725 0.534 -0.692 1.00 0.00 C ATOM 505 CG GLN A 33 22.295 1.665 -1.612 1.00 0.00 C ATOM 506 CD GLN A 33 22.506 3.033 -0.994 1.00 0.00 C ATOM 507 OE1 GLN A 33 21.934 3.351 0.049 1.00 0.00 O ATOM 508 NE2 GLN A 33 23.332 3.852 -1.634 1.00 0.00 N ATOM 0 H GLN A 33 22.511 -2.095 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 33 23.748 -0.229 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.837 0.059 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.288 0.950 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.855 1.602 -2.545 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.241 1.543 -1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 33 23.785 3.548 -2.496 1.00 0.00 H new ATOM 0 HE22 GLN A 33 23.513 4.785 -1.264 1.00 0.00 H new ATOM 517 N HIS A 34 24.930 -1.269 0.487 1.00 0.00 N ATOM 518 CA HIS A 34 26.156 -1.449 1.255 1.00 0.00 C ATOM 519 C HIS A 34 26.222 -2.852 1.852 1.00 0.00 C ATOM 520 O HIS A 34 25.215 -3.389 2.313 1.00 0.00 O ATOM 521 CB HIS A 34 26.245 -0.404 2.368 1.00 0.00 C ATOM 522 CG HIS A 34 27.641 0.064 2.640 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.279 1.015 1.872 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.522 -0.292 3.603 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.493 1.223 2.350 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.665 0.442 3.402 1.00 0.00 N ATOM 0 H HIS A 34 24.095 -1.655 0.929 1.00 0.00 H new ATOM 0 HA HIS A 34 27.001 -1.320 0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.629 0.454 2.099 1.00 0.00 H new ATOM 0 HB3 HIS A 34 25.826 -0.823 3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 34 28.357 -1.019 4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 34 30.221 1.913 1.949 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.509 0.392 3.972 1.00 0.00 H new ATOM 534 N GLY A 35 27.414 -3.440 1.839 1.00 0.00 N ATOM 535 CA GLY A 35 27.588 -4.775 2.381 1.00 0.00 C ATOM 536 C GLY A 35 28.890 -4.927 3.142 1.00 0.00 C ATOM 537 O GLY A 35 29.876 -4.256 2.838 1.00 0.00 O ATOM 0 H GLY A 35 28.262 -3.016 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.754 -5.006 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.559 -5.500 1.568 1.00 0.00 H new ATOM 541 N ALA A 36 28.894 -5.810 4.136 1.00 0.00 N ATOM 542 CA ALA A 36 30.084 -6.047 4.942 1.00 0.00 C ATOM 543 C ALA A 36 30.188 -7.513 5.349 1.00 0.00 C ATOM 544 O ALA A 36 29.205 -8.253 5.299 1.00 0.00 O ATOM 545 CB ALA A 36 30.074 -5.155 6.174 1.00 0.00 C ATOM 0 H ALA A 36 28.086 -6.373 4.402 1.00 0.00 H new ATOM 0 HA ALA A 36 30.957 -5.802 4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.969 -5.343 6.767 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.056 -4.110 5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.190 -5.372 6.773 1.00 0.00 H new ATOM 551 N CYS A 37 31.385 -7.927 5.752 1.00 0.00 N ATOM 552 CA CYS A 37 31.618 -9.305 6.166 1.00 0.00 C ATOM 553 C CYS A 37 32.118 -9.362 7.607 1.00 0.00 C ATOM 554 O CYS A 37 32.812 -8.457 8.071 1.00 0.00 O ATOM 555 CB CYS A 37 32.632 -9.975 5.236 1.00 0.00 C ATOM 556 SG CYS A 37 32.911 -11.740 5.590 1.00 0.00 S ATOM 0 H CYS A 37 32.209 -7.327 5.801 1.00 0.00 H new ATOM 0 HA CYS A 37 30.671 -9.841 6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.289 -9.872 4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.582 -9.446 5.310 1.00 0.00 H new ATOM 561 N HIS A 38 31.760 -10.433 8.310 1.00 0.00 N ATOM 562 CA HIS A 38 32.173 -10.609 9.698 1.00 0.00 C ATOM 563 C HIS A 38 32.282 -12.090 10.048 1.00 0.00 C ATOM 564 O HIS A 38 31.604 -12.930 9.457 1.00 0.00 O ATOM 565 CB HIS A 38 31.182 -9.922 10.638 1.00 0.00 C ATOM 566 CG HIS A 38 31.536 -10.061 12.086 1.00 0.00 C ATOM 567 ND1 HIS A 38 32.742 -9.644 12.609 1.00 0.00 N ATOM 568 CD2 HIS A 38 30.834 -10.571 13.125 1.00 0.00 C ATOM 569 CE1 HIS A 38 32.767 -9.895 13.906 1.00 0.00 C ATOM 570 NE2 HIS A 38 31.621 -10.457 14.244 1.00 0.00 N ATOM 0 H HIS A 38 31.185 -11.191 7.941 1.00 0.00 H new ATOM 0 HA HIS A 38 33.155 -10.151 9.820 1.00 0.00 H new ATOM 0 HB2 HIS A 38 31.129 -8.863 10.385 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.189 -10.339 10.474 1.00 0.00 H new ATOM 0 HD2 HIS A 38 29.839 -10.990 13.082 1.00 0.00 H new ATOM 0 HE1 HIS A 38 33.586 -9.677 14.576 1.00 0.00 H new ATOM 0 HE2 HIS A 38 31.362 -10.758 15.184 1.00 0.00 H new ATOM 578 N LYS A 39 33.141 -12.403 11.012 1.00 0.00 N ATOM 579 CA LYS A 39 33.340 -13.782 11.443 1.00 0.00 C ATOM 580 C LYS A 39 32.376 -14.145 12.568 1.00 0.00 C ATOM 581 O LYS A 39 32.340 -13.483 13.605 1.00 0.00 O ATOM 582 CB LYS A 39 34.783 -13.990 11.907 1.00 0.00 C ATOM 583 CG LYS A 39 35.087 -15.418 12.326 1.00 0.00 C ATOM 584 CD LYS A 39 35.172 -15.549 13.837 1.00 0.00 C ATOM 585 CE LYS A 39 35.854 -16.846 14.246 1.00 0.00 C ATOM 586 NZ LYS A 39 35.847 -17.034 15.724 1.00 0.00 N ATOM 0 H LYS A 39 33.711 -11.720 11.510 1.00 0.00 H new ATOM 0 HA LYS A 39 33.141 -14.434 10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.460 -13.705 11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 39 34.986 -13.323 12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 39 34.312 -16.083 11.945 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.028 -15.737 11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 39 35.723 -14.702 14.246 1.00 0.00 H new ATOM 0 HD3 LYS A 39 34.170 -15.513 14.263 1.00 0.00 H new ATOM 0 HE2 LYS A 39 35.350 -17.687 13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 39 36.882 -16.845 13.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 36.321 -17.929 15.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 36.350 -16.244 16.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 34.865 -17.060 16.066 1.00 0.00 H new ATOM 600 N ARG A 40 31.597 -15.201 12.356 1.00 0.00 N ATOM 601 CA ARG A 40 30.633 -15.652 13.352 1.00 0.00 C ATOM 602 C ARG A 40 30.591 -17.176 13.417 1.00 0.00 C ATOM 603 O ARG A 40 31.253 -17.858 12.636 1.00 0.00 O ATOM 604 CB ARG A 40 29.241 -15.106 13.030 1.00 0.00 C ATOM 605 CG ARG A 40 28.797 -13.984 13.954 1.00 0.00 C ATOM 606 CD ARG A 40 27.890 -14.498 15.060 1.00 0.00 C ATOM 607 NE ARG A 40 27.489 -13.436 15.978 1.00 0.00 N ATOM 608 CZ ARG A 40 26.873 -13.657 17.134 1.00 0.00 C ATOM 609 NH1 ARG A 40 26.589 -14.896 17.511 1.00 0.00 N ATOM 610 NH2 ARG A 40 26.540 -12.637 17.915 1.00 0.00 N ATOM 0 H ARG A 40 31.615 -15.760 11.503 1.00 0.00 H new ATOM 0 HA ARG A 40 30.948 -15.273 14.324 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.231 -14.744 12.002 1.00 0.00 H new ATOM 0 HB3 ARG A 40 28.519 -15.920 13.088 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.672 -13.505 14.393 1.00 0.00 H new ATOM 0 HG3 ARG A 40 28.273 -13.222 13.377 1.00 0.00 H new ATOM 0 HD2 ARG A 40 27.002 -14.950 14.619 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.405 -15.282 15.616 1.00 0.00 H new ATOM 0 HE ARG A 40 27.693 -12.471 15.717 1.00 0.00 H new ATOM 0 HH11 ARG A 40 26.844 -15.682 16.913 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.116 -15.063 18.399 1.00 0.00 H new ATOM 0 HH21 ARG A 40 26.757 -11.683 17.628 1.00 0.00 H new ATOM 0 HH22 ARG A 40 26.067 -12.807 18.802 1.00 0.00 H new ATOM 624 N GLU A 41 29.808 -17.702 14.354 1.00 0.00 N ATOM 625 CA GLU A 41 29.682 -19.145 14.522 1.00 0.00 C ATOM 626 C GLU A 41 31.042 -19.783 14.788 1.00 0.00 C ATOM 627 O GLU A 41 32.029 -19.088 15.026 1.00 0.00 O ATOM 628 CB GLU A 41 29.047 -19.771 13.278 1.00 0.00 C ATOM 629 CG GLU A 41 27.834 -19.012 12.766 1.00 0.00 C ATOM 630 CD GLU A 41 26.732 -18.905 13.802 1.00 0.00 C ATOM 631 OE1 GLU A 41 26.758 -17.943 14.598 1.00 0.00 O ATOM 632 OE2 GLU A 41 25.845 -19.783 13.817 1.00 0.00 O ATOM 0 H GLU A 41 29.252 -17.151 15.008 1.00 0.00 H new ATOM 0 HA GLU A 41 29.039 -19.330 15.383 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.794 -19.822 12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.754 -20.796 13.507 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.139 -18.011 12.461 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.446 -19.512 11.878 1.00 0.00 H new ATOM 639 N ALA A 42 31.084 -21.111 14.747 1.00 0.00 N ATOM 640 CA ALA A 42 32.322 -21.843 14.983 1.00 0.00 C ATOM 641 C ALA A 42 33.449 -21.314 14.102 1.00 0.00 C ATOM 642 O ALA A 42 34.614 -21.318 14.498 1.00 0.00 O ATOM 643 CB ALA A 42 32.111 -23.330 14.736 1.00 0.00 C ATOM 0 H ALA A 42 30.275 -21.701 14.553 1.00 0.00 H new ATOM 0 HA ALA A 42 32.610 -21.695 16.024 1.00 0.00 H new ATOM 0 HB1 ALA A 42 33.044 -23.865 14.916 1.00 0.00 H new ATOM 0 HB2 ALA A 42 31.342 -23.705 15.411 1.00 0.00 H new ATOM 0 HB3 ALA A 42 31.796 -23.486 13.704 1.00 0.00 H new ATOM 649 N GLY A 43 33.094 -20.858 12.904 1.00 0.00 N ATOM 650 CA GLY A 43 34.087 -20.333 11.986 1.00 0.00 C ATOM 651 C GLY A 43 33.500 -19.987 10.632 1.00 0.00 C ATOM 652 O GLY A 43 34.161 -20.135 9.604 1.00 0.00 O ATOM 0 H GLY A 43 32.136 -20.843 12.554 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.543 -19.443 12.419 1.00 0.00 H new ATOM 0 HA3 GLY A 43 34.882 -21.067 11.857 1.00 0.00 H new ATOM 656 N LYS A 44 32.254 -19.526 10.630 1.00 0.00 N ATOM 657 CA LYS A 44 31.576 -19.158 9.393 1.00 0.00 C ATOM 658 C LYS A 44 31.409 -17.645 9.293 1.00 0.00 C ATOM 659 O LYS A 44 30.878 -17.009 10.203 1.00 0.00 O ATOM 660 CB LYS A 44 30.208 -19.839 9.315 1.00 0.00 C ATOM 661 CG LYS A 44 30.287 -21.351 9.194 1.00 0.00 C ATOM 662 CD LYS A 44 30.096 -22.029 10.541 1.00 0.00 C ATOM 663 CE LYS A 44 30.297 -23.533 10.441 1.00 0.00 C ATOM 664 NZ LYS A 44 29.001 -24.261 10.352 1.00 0.00 N ATOM 0 H LYS A 44 31.693 -19.398 11.472 1.00 0.00 H new ATOM 0 HA LYS A 44 32.190 -19.494 8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.633 -19.584 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 44 29.662 -19.442 8.459 1.00 0.00 H new ATOM 0 HG2 LYS A 44 29.525 -21.702 8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 44 31.254 -21.634 8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 44 30.800 -21.614 11.262 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.095 -21.819 10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 44 30.903 -23.761 9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.852 -23.884 11.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 29.181 -25.283 10.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.433 -24.064 11.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 28.483 -23.945 9.508 1.00 0.00 H new ATOM 678 N GLU A 45 31.864 -17.076 8.181 1.00 0.00 N ATOM 679 CA GLU A 45 31.764 -15.638 7.963 1.00 0.00 C ATOM 680 C GLU A 45 30.445 -15.281 7.284 1.00 0.00 C ATOM 681 O GLU A 45 30.090 -15.855 6.254 1.00 0.00 O ATOM 682 CB GLU A 45 32.938 -15.145 7.114 1.00 0.00 C ATOM 683 CG GLU A 45 34.020 -14.445 7.919 1.00 0.00 C ATOM 684 CD GLU A 45 35.015 -15.414 8.525 1.00 0.00 C ATOM 685 OE1 GLU A 45 34.789 -16.638 8.425 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.021 -14.949 9.101 1.00 0.00 O ATOM 0 H GLU A 45 32.305 -17.589 7.418 1.00 0.00 H new ATOM 0 HA GLU A 45 31.797 -15.146 8.935 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.378 -15.994 6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.563 -14.461 6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.549 -13.742 7.275 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.556 -13.862 8.714 1.00 0.00 H new ATOM 693 N SER A 46 29.723 -14.330 7.868 1.00 0.00 N ATOM 694 CA SER A 46 28.441 -13.899 7.323 1.00 0.00 C ATOM 695 C SER A 46 28.556 -12.513 6.697 1.00 0.00 C ATOM 696 O SER A 46 29.339 -11.677 7.149 1.00 0.00 O ATOM 697 CB SER A 46 27.374 -13.890 8.419 1.00 0.00 C ATOM 698 OG SER A 46 27.670 -14.841 9.426 1.00 0.00 O ATOM 0 H SER A 46 30.004 -13.843 8.719 1.00 0.00 H new ATOM 0 HA SER A 46 28.148 -14.606 6.547 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.310 -12.896 8.861 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.399 -14.108 7.984 1.00 0.00 H new ATOM 0 HG SER A 46 26.974 -14.814 10.116 1.00 0.00 H new ATOM 704 N CYS A 47 27.769 -12.275 5.652 1.00 0.00 N ATOM 705 CA CYS A 47 27.780 -10.991 4.962 1.00 0.00 C ATOM 706 C CYS A 47 26.457 -10.257 5.157 1.00 0.00 C ATOM 707 O CYS A 47 25.402 -10.736 4.741 1.00 0.00 O ATOM 708 CB CYS A 47 28.049 -11.193 3.470 1.00 0.00 C ATOM 709 SG CYS A 47 28.982 -9.836 2.692 1.00 0.00 S ATOM 0 H CYS A 47 27.115 -12.956 5.265 1.00 0.00 H new ATOM 0 HA CYS A 47 28.578 -10.384 5.389 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.600 -12.123 3.334 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.097 -11.308 2.952 1.00 0.00 H new ATOM 714 N PHE A 48 26.521 -9.091 5.793 1.00 0.00 N ATOM 715 CA PHE A 48 25.329 -8.291 6.044 1.00 0.00 C ATOM 716 C PHE A 48 25.313 -7.047 5.161 1.00 0.00 C ATOM 717 O PHE A 48 26.240 -6.237 5.192 1.00 0.00 O ATOM 718 CB PHE A 48 25.262 -7.885 7.518 1.00 0.00 C ATOM 719 CG PHE A 48 26.567 -7.373 8.058 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.528 -8.251 8.531 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.832 -6.013 8.092 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.730 -7.783 9.029 1.00 0.00 C ATOM 723 CE2 PHE A 48 28.033 -5.540 8.587 1.00 0.00 C ATOM 724 CZ PHE A 48 28.982 -6.426 9.057 1.00 0.00 C ATOM 0 H PHE A 48 27.386 -8.680 6.144 1.00 0.00 H new ATOM 0 HA PHE A 48 24.457 -8.898 5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.500 -7.115 7.640 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.945 -8.744 8.109 1.00 0.00 H new ATOM 0 HD1 PHE A 48 27.336 -9.314 8.511 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.092 -5.315 7.728 1.00 0.00 H new ATOM 0 HE1 PHE A 48 29.471 -8.478 9.396 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.229 -4.478 8.606 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.920 -6.058 9.446 1.00 0.00 H new ATOM 734 N CYS A 49 24.253 -6.901 4.373 1.00 0.00 N ATOM 735 CA CYS A 49 24.114 -5.758 3.479 1.00 0.00 C ATOM 736 C CYS A 49 22.782 -5.049 3.705 1.00 0.00 C ATOM 737 O CYS A 49 21.783 -5.679 4.054 1.00 0.00 O ATOM 738 CB CYS A 49 24.224 -6.207 2.021 1.00 0.00 C ATOM 739 SG CYS A 49 25.477 -7.498 1.733 1.00 0.00 S ATOM 0 H CYS A 49 23.477 -7.561 4.336 1.00 0.00 H new ATOM 0 HA CYS A 49 24.920 -5.058 3.698 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.253 -6.578 1.692 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.461 -5.341 1.402 1.00 0.00 H new ATOM 744 N TYR A 50 22.775 -3.736 3.504 1.00 0.00 N ATOM 745 CA TYR A 50 21.566 -2.941 3.687 1.00 0.00 C ATOM 746 C TYR A 50 21.207 -2.192 2.407 1.00 0.00 C ATOM 747 O TYR A 50 22.069 -1.599 1.758 1.00 0.00 O ATOM 748 CB TYR A 50 21.753 -1.949 4.836 1.00 0.00 C ATOM 749 CG TYR A 50 22.210 -2.594 6.125 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.291 -3.076 7.048 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.562 -2.723 6.419 1.00 0.00 C ATOM 752 CE1 TYR A 50 21.704 -3.666 8.227 1.00 0.00 C ATOM 753 CE2 TYR A 50 23.985 -3.313 7.595 1.00 0.00 C ATOM 754 CZ TYR A 50 23.052 -3.782 8.496 1.00 0.00 C ATOM 755 OH TYR A 50 23.467 -4.370 9.669 1.00 0.00 O ATOM 0 H TYR A 50 23.593 -3.200 3.214 1.00 0.00 H new ATOM 0 HA TYR A 50 20.749 -3.620 3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.482 -1.195 4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 50 20.811 -1.430 5.013 1.00 0.00 H new ATOM 0 HD1 TYR A 50 20.235 -2.988 6.840 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.295 -2.356 5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 50 20.976 -4.034 8.934 1.00 0.00 H new ATOM 0 HE2 TYR A 50 25.040 -3.406 7.807 1.00 0.00 H new ATOM 0 HH TYR A 50 24.441 -4.294 9.746 1.00 0.00 H new ATOM 765 N PHE A 51 19.927 -2.224 2.051 1.00 0.00 N ATOM 766 CA PHE A 51 19.452 -1.549 0.849 1.00 0.00 C ATOM 767 C PHE A 51 18.001 -1.105 1.012 1.00 0.00 C ATOM 768 O PHE A 51 17.175 -1.837 1.558 1.00 0.00 O ATOM 769 CB PHE A 51 19.582 -2.471 -0.365 1.00 0.00 C ATOM 770 CG PHE A 51 18.775 -2.021 -1.549 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.172 -0.925 -2.298 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.620 -2.694 -1.914 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.432 -0.508 -3.389 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.877 -2.282 -3.004 1.00 0.00 C ATOM 775 CZ PHE A 51 17.282 -1.187 -3.741 1.00 0.00 C ATOM 0 H PHE A 51 19.201 -2.710 2.577 1.00 0.00 H new ATOM 0 HA PHE A 51 20.069 -0.664 0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.631 -2.533 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 51 19.269 -3.476 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.070 -0.390 -2.026 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.297 -3.550 -1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.753 0.347 -3.965 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.980 -2.816 -3.279 1.00 0.00 H new ATOM 0 HZ PHE A 51 16.701 -0.862 -4.591 1.00 0.00 H new ATOM 785 N ASP A 52 17.700 0.097 0.535 1.00 0.00 N ATOM 786 CA ASP A 52 16.349 0.640 0.627 1.00 0.00 C ATOM 787 C ASP A 52 15.392 -0.131 -0.277 1.00 0.00 C ATOM 788 O ASP A 52 15.577 -0.184 -1.494 1.00 0.00 O ATOM 789 CB ASP A 52 16.345 2.122 0.250 1.00 0.00 C ATOM 790 CG ASP A 52 17.225 2.417 -0.949 1.00 0.00 C ATOM 791 OD1 ASP A 52 16.833 2.051 -2.076 1.00 0.00 O ATOM 792 OD2 ASP A 52 18.306 3.013 -0.759 1.00 0.00 O ATOM 0 H ASP A 52 18.373 0.715 0.081 1.00 0.00 H new ATOM 0 HA ASP A 52 16.011 0.535 1.658 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.324 2.436 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.686 2.711 1.101 1.00 0.00 H new ATOM 797 N CYS A 53 14.368 -0.727 0.325 1.00 0.00 N ATOM 798 CA CYS A 53 13.382 -1.496 -0.425 1.00 0.00 C ATOM 799 C CYS A 53 11.989 -0.892 -0.269 1.00 0.00 C ATOM 800 O CYS A 53 11.673 -0.290 0.757 1.00 0.00 O ATOM 801 CB CYS A 53 13.374 -2.951 0.046 1.00 0.00 C ATOM 802 SG CYS A 53 13.050 -3.155 1.827 1.00 0.00 S ATOM 0 H CYS A 53 14.199 -0.692 1.330 1.00 0.00 H new ATOM 0 HA CYS A 53 13.658 -1.464 -1.479 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.617 -3.499 -0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 53 14.337 -3.404 -0.191 1.00 0.00 H new ATOM 807 N SER A 54 11.160 -1.059 -1.294 1.00 0.00 N ATOM 808 CA SER A 54 9.801 -0.528 -1.274 1.00 0.00 C ATOM 809 C SER A 54 9.802 0.951 -0.901 1.00 0.00 C ATOM 810 O SER A 54 9.168 1.360 0.072 1.00 0.00 O ATOM 811 CB SER A 54 8.939 -1.314 -0.284 1.00 0.00 C ATOM 812 OG SER A 54 8.504 -2.539 -0.848 1.00 0.00 O ATOM 0 H SER A 54 11.405 -1.558 -2.149 1.00 0.00 H new ATOM 0 HA SER A 54 9.381 -0.633 -2.274 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.509 -1.510 0.624 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.075 -0.716 0.005 1.00 0.00 H new ATOM 0 HG SER A 54 7.957 -3.023 -0.195 1.00 0.00 H new ATOM 818 N LYS A 55 10.519 1.751 -1.683 1.00 0.00 N ATOM 819 CA LYS A 55 10.604 3.186 -1.439 1.00 0.00 C ATOM 820 C LYS A 55 11.536 3.485 -0.270 1.00 0.00 C ATOM 821 O LYS A 55 12.503 4.235 -0.411 1.00 0.00 O ATOM 822 CB LYS A 55 9.213 3.758 -1.155 1.00 0.00 C ATOM 823 CG LYS A 55 8.892 5.005 -1.962 1.00 0.00 C ATOM 824 CD LYS A 55 8.400 4.656 -3.356 1.00 0.00 C ATOM 825 CE LYS A 55 6.956 4.179 -3.335 1.00 0.00 C ATOM 826 NZ LYS A 55 6.033 5.228 -2.820 1.00 0.00 N ATOM 0 H LYS A 55 11.050 1.429 -2.492 1.00 0.00 H new ATOM 0 HA LYS A 55 11.010 3.658 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.465 2.995 -1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.135 3.992 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.133 5.590 -1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.781 5.631 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.486 5.529 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.035 3.879 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.654 3.892 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.877 3.288 -2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.070 5.045 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.034 5.211 -1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.349 6.162 -3.152 1.00 0.00 H new ATOM 840 N SER A 56 11.241 2.894 0.883 1.00 0.00 N ATOM 841 CA SER A 56 12.052 3.100 2.077 1.00 0.00 C ATOM 842 C SER A 56 12.018 4.561 2.512 1.00 0.00 C ATOM 843 O SER A 56 12.945 5.332 2.262 1.00 0.00 O ATOM 844 CB SER A 56 13.496 2.666 1.819 1.00 0.00 C ATOM 845 OG SER A 56 14.269 2.736 3.005 1.00 0.00 O ATOM 0 H SER A 56 10.446 2.269 1.016 1.00 0.00 H new ATOM 0 HA SER A 56 11.635 2.491 2.879 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.509 1.647 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.939 3.303 1.054 1.00 0.00 H new ATOM 0 HG SER A 56 15.187 2.452 2.814 1.00 0.00 H new ATOM 851 N PRO A 57 10.923 4.954 3.180 1.00 0.00 N ATOM 852 CA PRO A 57 10.741 6.325 3.665 1.00 0.00 C ATOM 853 C PRO A 57 11.683 6.664 4.815 1.00 0.00 C ATOM 854 O PRO A 57 12.334 5.793 5.393 1.00 0.00 O ATOM 855 CB PRO A 57 9.286 6.342 4.143 1.00 0.00 C ATOM 856 CG PRO A 57 8.981 4.923 4.478 1.00 0.00 C ATOM 857 CD PRO A 57 9.779 4.089 3.514 1.00 0.00 C ATOM 0 HA PRO A 57 10.959 7.062 2.893 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.162 6.989 5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.619 6.718 3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.255 4.698 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.915 4.719 4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 57 10.103 3.152 3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 57 9.198 3.832 2.629 1.00 0.00 H new ATOM 865 N PRO A 58 11.759 7.958 5.158 1.00 0.00 N ATOM 866 CA PRO A 58 12.618 8.441 6.243 1.00 0.00 C ATOM 867 C PRO A 58 12.118 8.005 7.616 1.00 0.00 C ATOM 868 O PRO A 58 10.999 8.330 8.011 1.00 0.00 O ATOM 869 CB PRO A 58 12.543 9.963 6.105 1.00 0.00 C ATOM 870 CG PRO A 58 11.238 10.219 5.432 1.00 0.00 C ATOM 871 CD PRO A 58 11.011 9.050 4.513 1.00 0.00 C ATOM 0 HA PRO A 58 13.630 8.042 6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.589 10.451 7.078 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.375 10.348 5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.433 10.304 6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.263 11.155 4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.951 8.811 4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.381 9.251 3.508 1.00 0.00 H new ATOM 879 N GLY A 59 12.955 7.268 8.340 1.00 0.00 N ATOM 880 CA GLY A 59 12.580 6.801 9.661 1.00 0.00 C ATOM 881 C GLY A 59 12.475 5.291 9.734 1.00 0.00 C ATOM 882 O GLY A 59 12.727 4.596 8.750 1.00 0.00 O ATOM 0 H GLY A 59 13.886 6.986 8.035 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.316 7.146 10.387 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.624 7.243 9.941 1.00 0.00 H new ATOM 886 N ALA A 60 12.102 4.780 10.903 1.00 0.00 N ATOM 887 CA ALA A 60 11.964 3.343 11.100 1.00 0.00 C ATOM 888 C ALA A 60 13.306 2.636 10.942 1.00 0.00 C ATOM 889 O ALA A 60 14.353 3.279 10.860 1.00 0.00 O ATOM 890 CB ALA A 60 10.946 2.772 10.125 1.00 0.00 C ATOM 0 H ALA A 60 11.890 5.341 11.728 1.00 0.00 H new ATOM 0 HA ALA A 60 11.611 3.173 12.117 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.853 1.698 10.284 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.979 3.248 10.288 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.275 2.961 9.103 1.00 0.00 H new ATOM 896 N THR A 61 13.268 1.307 10.901 1.00 0.00 N ATOM 897 CA THR A 61 14.481 0.513 10.755 1.00 0.00 C ATOM 898 C THR A 61 14.202 -0.784 10.004 1.00 0.00 C ATOM 899 O THR A 61 13.063 -1.244 9.914 1.00 0.00 O ATOM 900 CB THR A 61 15.101 0.176 12.124 1.00 0.00 C ATOM 901 OG1 THR A 61 14.088 0.188 13.136 1.00 0.00 O ATOM 902 CG2 THR A 61 16.194 1.172 12.482 1.00 0.00 C ATOM 0 H THR A 61 12.410 0.759 10.967 1.00 0.00 H new ATOM 0 HA THR A 61 15.186 1.117 10.184 1.00 0.00 H new ATOM 0 HB THR A 61 15.543 -0.819 12.064 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.489 -0.029 14.003 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.617 0.914 13.453 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.977 1.141 11.725 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.771 2.176 12.526 1.00 0.00 H new ATOM 910 N PRO A 62 15.264 -1.390 9.451 1.00 0.00 N ATOM 911 CA PRO A 62 15.157 -2.643 8.699 1.00 0.00 C ATOM 912 C PRO A 62 14.823 -3.831 9.596 1.00 0.00 C ATOM 913 O PRO A 62 14.499 -3.661 10.771 1.00 0.00 O ATOM 914 CB PRO A 62 16.551 -2.810 8.089 1.00 0.00 C ATOM 915 CG PRO A 62 17.456 -2.055 9.000 1.00 0.00 C ATOM 916 CD PRO A 62 16.650 -0.897 9.519 1.00 0.00 C ATOM 0 HA PRO A 62 14.355 -2.609 7.962 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.834 -3.861 8.031 1.00 0.00 H new ATOM 0 HB3 PRO A 62 16.589 -2.413 7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 62 17.802 -2.687 9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 62 18.342 -1.707 8.469 1.00 0.00 H new ATOM 0 HD2 PRO A 62 16.934 -0.634 10.538 1.00 0.00 H new ATOM 0 HD3 PRO A 62 16.790 -0.004 8.909 1.00 0.00 H new ATOM 924 N ALA A 63 14.904 -5.032 9.034 1.00 0.00 N ATOM 925 CA ALA A 63 14.613 -6.248 9.783 1.00 0.00 C ATOM 926 C ALA A 63 15.865 -7.102 9.952 1.00 0.00 C ATOM 927 O ALA A 63 16.019 -8.152 9.328 1.00 0.00 O ATOM 928 CB ALA A 63 13.518 -7.045 9.091 1.00 0.00 C ATOM 0 H ALA A 63 15.169 -5.189 8.062 1.00 0.00 H new ATOM 0 HA ALA A 63 14.265 -5.959 10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.311 -7.950 9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 63 12.613 -6.441 9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.844 -7.316 8.087 1.00 0.00 H new ATOM 934 N PRO A 64 16.783 -6.643 10.816 1.00 0.00 N ATOM 935 CA PRO A 64 18.038 -7.350 11.087 1.00 0.00 C ATOM 936 C PRO A 64 17.818 -8.647 11.858 1.00 0.00 C ATOM 937 O PRO A 64 16.737 -8.908 12.385 1.00 0.00 O ATOM 938 CB PRO A 64 18.832 -6.352 11.934 1.00 0.00 C ATOM 939 CG PRO A 64 17.797 -5.497 12.581 1.00 0.00 C ATOM 940 CD PRO A 64 16.666 -5.399 11.595 1.00 0.00 C ATOM 0 HA PRO A 64 18.544 -7.648 10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 64 19.445 -6.863 12.677 1.00 0.00 H new ATOM 0 HB3 PRO A 64 19.507 -5.758 11.318 1.00 0.00 H new ATOM 0 HG2 PRO A 64 17.459 -5.936 13.520 1.00 0.00 H new ATOM 0 HG3 PRO A 64 18.197 -4.510 12.816 1.00 0.00 H new ATOM 0 HD2 PRO A 64 15.701 -5.328 12.097 1.00 0.00 H new ATOM 0 HD3 PRO A 64 16.761 -4.517 10.961 1.00 0.00 H new ATOM 948 N PRO A 65 18.867 -9.480 11.928 1.00 0.00 N ATOM 949 CA PRO A 65 18.813 -10.763 12.634 1.00 0.00 C ATOM 950 C PRO A 65 18.725 -10.590 14.146 1.00 0.00 C ATOM 951 O PRO A 65 18.327 -11.506 14.864 1.00 0.00 O ATOM 952 CB PRO A 65 20.133 -11.436 12.249 1.00 0.00 C ATOM 953 CG PRO A 65 21.051 -10.310 11.920 1.00 0.00 C ATOM 954 CD PRO A 65 20.187 -9.233 11.324 1.00 0.00 C ATOM 0 HA PRO A 65 17.929 -11.340 12.362 1.00 0.00 H new ATOM 0 HB2 PRO A 65 20.524 -12.039 13.069 1.00 0.00 H new ATOM 0 HB3 PRO A 65 20.003 -12.103 11.397 1.00 0.00 H new ATOM 0 HG2 PRO A 65 21.563 -9.950 12.812 1.00 0.00 H new ATOM 0 HG3 PRO A 65 21.821 -10.627 11.216 1.00 0.00 H new ATOM 0 HD2 PRO A 65 20.560 -8.238 11.567 1.00 0.00 H new ATOM 0 HD3 PRO A 65 20.151 -9.303 10.237 1.00 0.00 H new ATOM 962 N GLY A 66 19.100 -9.407 14.625 1.00 0.00 N ATOM 963 CA GLY A 66 19.056 -9.136 16.050 1.00 0.00 C ATOM 964 C GLY A 66 20.267 -8.361 16.530 1.00 0.00 C ATOM 965 O GLY A 66 20.171 -7.560 17.460 1.00 0.00 O ATOM 0 H GLY A 66 19.433 -8.632 14.051 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.152 -8.572 16.282 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.992 -10.078 16.594 1.00 0.00 H new ATOM 969 N ALA A 67 21.411 -8.602 15.897 1.00 0.00 N ATOM 970 CA ALA A 67 22.646 -7.921 16.265 1.00 0.00 C ATOM 971 C ALA A 67 23.720 -8.120 15.202 1.00 0.00 C ATOM 972 O ALA A 67 24.319 -9.190 15.105 1.00 0.00 O ATOM 973 CB ALA A 67 23.139 -8.416 17.617 1.00 0.00 C ATOM 0 H ALA A 67 21.508 -9.264 15.127 1.00 0.00 H new ATOM 0 HA ALA A 67 22.436 -6.854 16.336 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.062 -7.899 17.879 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.383 -8.216 18.376 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.326 -9.489 17.566 1.00 0.00 H new ATOM 979 N ALA A 68 23.959 -7.082 14.407 1.00 0.00 N ATOM 980 CA ALA A 68 24.963 -7.143 13.352 1.00 0.00 C ATOM 981 C ALA A 68 25.345 -5.746 12.876 1.00 0.00 C ATOM 982 O ALA A 68 24.954 -5.303 11.796 1.00 0.00 O ATOM 983 CB ALA A 68 24.453 -7.979 12.187 1.00 0.00 C ATOM 0 H ALA A 68 23.471 -6.189 14.474 1.00 0.00 H new ATOM 0 HA ALA A 68 25.856 -7.615 13.761 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.212 -8.016 11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 68 24.237 -8.990 12.532 1.00 0.00 H new ATOM 0 HB3 ALA A 68 23.544 -7.530 11.788 1.00 0.00 H new ATOM 989 N PRO A 69 26.127 -5.032 13.700 1.00 0.00 N ATOM 990 CA PRO A 69 26.578 -3.674 13.384 1.00 0.00 C ATOM 991 C PRO A 69 27.591 -3.650 12.244 1.00 0.00 C ATOM 992 O PRO A 69 28.123 -4.682 11.833 1.00 0.00 O ATOM 993 CB PRO A 69 27.229 -3.204 14.687 1.00 0.00 C ATOM 994 CG PRO A 69 27.652 -4.458 15.373 1.00 0.00 C ATOM 995 CD PRO A 69 26.630 -5.497 15.004 1.00 0.00 C ATOM 0 HA PRO A 69 25.757 -3.040 13.049 1.00 0.00 H new ATOM 0 HB2 PRO A 69 28.081 -2.553 14.491 1.00 0.00 H new ATOM 0 HB3 PRO A 69 26.527 -2.636 15.298 1.00 0.00 H new ATOM 0 HG2 PRO A 69 28.649 -4.761 15.053 1.00 0.00 H new ATOM 0 HG3 PRO A 69 27.693 -4.317 16.453 1.00 0.00 H new ATOM 0 HD2 PRO A 69 27.074 -6.490 14.933 1.00 0.00 H new ATOM 0 HD3 PRO A 69 25.832 -5.557 15.744 1.00 0.00 H new ATOM 1003 N PRO A 70 27.865 -2.447 11.720 1.00 0.00 N ATOM 1004 CA PRO A 70 28.817 -2.260 10.621 1.00 0.00 C ATOM 1005 C PRO A 70 30.258 -2.509 11.053 1.00 0.00 C ATOM 1006 O PRO A 70 30.567 -2.609 12.241 1.00 0.00 O ATOM 1007 CB PRO A 70 28.623 -0.793 10.229 1.00 0.00 C ATOM 1008 CG PRO A 70 28.101 -0.137 11.460 1.00 0.00 C ATOM 1009 CD PRO A 70 27.268 -1.175 12.161 1.00 0.00 C ATOM 0 HA PRO A 70 28.640 -2.961 9.805 1.00 0.00 H new ATOM 0 HB2 PRO A 70 29.562 -0.342 9.908 1.00 0.00 H new ATOM 0 HB3 PRO A 70 27.922 -0.694 9.400 1.00 0.00 H new ATOM 0 HG2 PRO A 70 28.917 0.203 12.097 1.00 0.00 H new ATOM 0 HG3 PRO A 70 27.504 0.740 11.211 1.00 0.00 H new ATOM 0 HD2 PRO A 70 27.315 -1.063 13.244 1.00 0.00 H new ATOM 0 HD3 PRO A 70 26.218 -1.105 11.879 1.00 0.00 H new ATOM 1017 N PRO A 71 31.163 -2.612 10.069 1.00 0.00 N ATOM 1018 CA PRO A 71 32.587 -2.850 10.323 1.00 0.00 C ATOM 1019 C PRO A 71 33.271 -1.645 10.959 1.00 0.00 C ATOM 1020 O PRO A 71 33.959 -0.881 10.282 1.00 0.00 O ATOM 1021 CB PRO A 71 33.157 -3.115 8.928 1.00 0.00 C ATOM 1022 CG PRO A 71 32.227 -2.414 7.999 1.00 0.00 C ATOM 1023 CD PRO A 71 30.866 -2.504 8.630 1.00 0.00 C ATOM 0 HA PRO A 71 32.745 -3.669 11.025 1.00 0.00 H new ATOM 0 HB2 PRO A 71 34.173 -2.731 8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 71 33.200 -4.183 8.714 1.00 0.00 H new ATOM 0 HG2 PRO A 71 32.525 -1.375 7.860 1.00 0.00 H new ATOM 0 HG3 PRO A 71 32.232 -2.882 7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 71 30.262 -1.624 8.409 1.00 0.00 H new ATOM 0 HD3 PRO A 71 30.312 -3.370 8.268 1.00 0.00 H new ATOM 1031 N ALA A 72 33.079 -1.481 12.264 1.00 0.00 N ATOM 1032 CA ALA A 72 33.680 -0.370 12.991 1.00 0.00 C ATOM 1033 C ALA A 72 33.057 0.959 12.576 1.00 0.00 C ATOM 1034 O ALA A 72 32.222 1.513 13.290 1.00 0.00 O ATOM 1035 CB ALA A 72 35.184 -0.343 12.764 1.00 0.00 C ATOM 0 H ALA A 72 32.512 -2.104 12.839 1.00 0.00 H new ATOM 0 HA ALA A 72 33.486 -0.516 14.054 1.00 0.00 H new ATOM 0 HB1 ALA A 72 35.620 0.492 13.313 1.00 0.00 H new ATOM 0 HB2 ALA A 72 35.622 -1.277 13.116 1.00 0.00 H new ATOM 0 HB3 ALA A 72 35.389 -0.224 11.700 1.00 0.00 H new ATOM 1041 N ALA A 73 33.469 1.465 11.418 1.00 0.00 N ATOM 1042 CA ALA A 73 32.950 2.728 10.908 1.00 0.00 C ATOM 1043 C ALA A 73 33.372 2.950 9.460 1.00 0.00 C ATOM 1044 O ALA A 73 34.522 3.289 9.183 1.00 0.00 O ATOM 1045 CB ALA A 73 33.421 3.882 11.780 1.00 0.00 C ATOM 0 H ALA A 73 34.161 1.019 10.815 1.00 0.00 H new ATOM 0 HA ALA A 73 31.861 2.684 10.939 1.00 0.00 H new ATOM 0 HB1 ALA A 73 33.026 4.819 11.388 1.00 0.00 H new ATOM 0 HB2 ALA A 73 33.064 3.737 12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 73 34.510 3.918 11.778 1.00 0.00 H new ATOM 1051 N GLY A 74 32.434 2.755 8.538 1.00 0.00 N ATOM 1052 CA GLY A 74 32.729 2.938 7.129 1.00 0.00 C ATOM 1053 C GLY A 74 32.694 1.635 6.355 1.00 0.00 C ATOM 1054 O GLY A 74 31.640 1.215 5.879 1.00 0.00 O ATOM 0 H GLY A 74 31.475 2.474 8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 74 32.008 3.633 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 74 33.714 3.393 7.023 1.00 0.00 H new ATOM 1058 N GLY A 75 33.852 0.993 6.228 1.00 0.00 N ATOM 1059 CA GLY A 75 33.928 -0.263 5.504 1.00 0.00 C ATOM 1060 C GLY A 75 35.357 -0.697 5.246 1.00 0.00 C ATOM 1061 O GLY A 75 36.272 0.126 5.242 1.00 0.00 O ATOM 0 H GLY A 75 34.738 1.320 6.613 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.413 -1.038 6.072 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.404 -0.163 4.553 1.00 0.00 H new ATOM 1065 N SER A 76 35.550 -1.995 5.033 1.00 0.00 N ATOM 1066 CA SER A 76 36.879 -2.539 4.779 1.00 0.00 C ATOM 1067 C SER A 76 37.885 -2.012 5.797 1.00 0.00 C ATOM 1068 O SER A 76 38.789 -1.242 5.474 1.00 0.00 O ATOM 1069 CB SER A 76 37.336 -2.184 3.362 1.00 0.00 C ATOM 1070 OG SER A 76 37.577 -0.793 3.238 1.00 0.00 O ATOM 0 H SER A 76 34.803 -2.689 5.031 1.00 0.00 H new ATOM 0 HA SER A 76 36.826 -3.623 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 76 38.244 -2.737 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 76 36.575 -2.490 2.644 1.00 0.00 H new ATOM 0 HG SER A 76 37.739 -0.409 4.125 1.00 0.00 H new ATOM 1076 N PRO A 77 37.725 -2.437 7.059 1.00 0.00 N ATOM 1077 CA PRO A 77 38.610 -2.022 8.152 1.00 0.00 C ATOM 1078 C PRO A 77 40.007 -2.618 8.025 1.00 0.00 C ATOM 1079 O PRO A 77 40.951 -2.156 8.667 1.00 0.00 O ATOM 1080 CB PRO A 77 37.909 -2.564 9.401 1.00 0.00 C ATOM 1081 CG PRO A 77 37.100 -3.715 8.912 1.00 0.00 C ATOM 1082 CD PRO A 77 36.669 -3.356 7.517 1.00 0.00 C ATOM 0 HA PRO A 77 38.762 -0.943 8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 77 38.631 -2.879 10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 77 37.278 -1.804 9.862 1.00 0.00 H new ATOM 0 HG2 PRO A 77 37.687 -4.634 8.915 1.00 0.00 H new ATOM 0 HG3 PRO A 77 36.237 -3.886 9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 77 36.599 -4.237 6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 77 35.689 -2.878 7.510 1.00 0.00 H new ATOM 1090 N SER A 78 40.134 -3.647 7.192 1.00 0.00 N ATOM 1091 CA SER A 78 41.416 -4.308 6.983 1.00 0.00 C ATOM 1092 C SER A 78 41.288 -5.430 5.958 1.00 0.00 C ATOM 1093 O SER A 78 40.197 -5.928 5.677 1.00 0.00 O ATOM 1094 CB SER A 78 41.947 -4.868 8.305 1.00 0.00 C ATOM 1095 OG SER A 78 42.927 -4.012 8.864 1.00 0.00 O ATOM 0 H SER A 78 39.364 -4.040 6.651 1.00 0.00 H new ATOM 0 HA SER A 78 42.120 -3.569 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 78 41.123 -4.991 9.008 1.00 0.00 H new ATOM 0 HB3 SER A 78 42.375 -5.857 8.139 1.00 0.00 H new ATOM 0 HG SER A 78 42.559 -3.108 8.953 1.00 0.00 H new ATOM 1101 N PRO A 79 42.429 -5.839 5.383 1.00 0.00 N ATOM 1102 CA PRO A 79 42.472 -6.907 4.380 1.00 0.00 C ATOM 1103 C PRO A 79 42.168 -8.276 4.977 1.00 0.00 C ATOM 1104 O PRO A 79 42.139 -8.457 6.195 1.00 0.00 O ATOM 1105 CB PRO A 79 43.914 -6.855 3.869 1.00 0.00 C ATOM 1106 CG PRO A 79 44.693 -6.260 4.991 1.00 0.00 C ATOM 1107 CD PRO A 79 43.765 -5.291 5.670 1.00 0.00 C ATOM 0 HA PRO A 79 41.723 -6.765 3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 79 44.281 -7.850 3.617 1.00 0.00 H new ATOM 0 HB3 PRO A 79 43.993 -6.248 2.967 1.00 0.00 H new ATOM 0 HG2 PRO A 79 45.029 -7.031 5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 79 45.585 -5.753 4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 79 43.955 -5.237 6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 79 43.879 -4.282 5.275 1.00 0.00 H new ATOM 1115 N PRO A 80 41.934 -9.266 4.103 1.00 0.00 N ATOM 1116 CA PRO A 80 41.629 -10.637 4.521 1.00 0.00 C ATOM 1117 C PRO A 80 42.834 -11.336 5.140 1.00 0.00 C ATOM 1118 O PRO A 80 43.595 -12.012 4.448 1.00 0.00 O ATOM 1119 CB PRO A 80 41.224 -11.325 3.215 1.00 0.00 C ATOM 1120 CG PRO A 80 41.909 -10.544 2.147 1.00 0.00 C ATOM 1121 CD PRO A 80 41.951 -9.123 2.637 1.00 0.00 C ATOM 0 HA PRO A 80 40.858 -10.666 5.291 1.00 0.00 H new ATOM 0 HB2 PRO A 80 41.537 -12.369 3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 80 40.142 -11.315 3.081 1.00 0.00 H new ATOM 0 HG2 PRO A 80 42.914 -10.925 1.968 1.00 0.00 H new ATOM 0 HG3 PRO A 80 41.369 -10.616 1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 80 42.847 -8.606 2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 80 41.096 -8.549 2.279 1.00 0.00 H new ATOM 1129 N ALA A 81 43.001 -11.170 6.448 1.00 0.00 N ATOM 1130 CA ALA A 81 44.113 -11.788 7.161 1.00 0.00 C ATOM 1131 C ALA A 81 43.926 -11.678 8.670 1.00 0.00 C ATOM 1132 O ALA A 81 44.818 -11.218 9.384 1.00 0.00 O ATOM 1133 CB ALA A 81 45.429 -11.149 6.742 1.00 0.00 C ATOM 0 H ALA A 81 42.381 -10.613 7.036 1.00 0.00 H new ATOM 0 HA ALA A 81 44.137 -12.846 6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 81 46.250 -11.620 7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 81 45.574 -11.285 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 81 45.406 -10.084 6.973 1.00 0.00 H new ATOM 1139 N ASP A 82 42.763 -12.102 9.150 1.00 0.00 N ATOM 1140 CA ASP A 82 42.459 -12.052 10.576 1.00 0.00 C ATOM 1141 C ASP A 82 43.417 -12.937 11.367 1.00 0.00 C ATOM 1142 O ASP A 82 44.071 -12.480 12.303 1.00 0.00 O ATOM 1143 CB ASP A 82 41.015 -12.488 10.827 1.00 0.00 C ATOM 1144 CG ASP A 82 40.038 -11.332 10.742 1.00 0.00 C ATOM 1145 OD1 ASP A 82 40.446 -10.243 10.288 1.00 0.00 O ATOM 1146 OD2 ASP A 82 38.865 -11.517 11.131 1.00 0.00 O ATOM 0 H ASP A 82 42.014 -12.485 8.573 1.00 0.00 H new ATOM 0 HA ASP A 82 42.582 -11.023 10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 82 40.737 -13.249 10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 82 40.944 -12.948 11.812 1.00 0.00 H new ATOM 1151 N GLY A 83 43.493 -14.208 10.984 1.00 0.00 N ATOM 1152 CA GLY A 83 44.372 -15.138 11.668 1.00 0.00 C ATOM 1153 C GLY A 83 43.848 -16.561 11.637 1.00 0.00 C ATOM 1154 O GLY A 83 42.790 -16.828 11.070 1.00 0.00 O ATOM 0 H GLY A 83 42.961 -14.610 10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 83 45.359 -15.107 11.206 1.00 0.00 H new ATOM 0 HA3 GLY A 83 44.495 -14.822 12.704 1.00 0.00 H new ATOM 1158 N GLY A 84 44.593 -17.477 12.248 1.00 0.00 N ATOM 1159 CA GLY A 84 44.183 -18.869 12.274 1.00 0.00 C ATOM 1160 C GLY A 84 44.610 -19.575 13.546 1.00 0.00 C ATOM 1161 O GLY A 84 45.634 -19.236 14.138 1.00 0.00 O ATOM 0 H GLY A 84 45.473 -17.280 12.725 1.00 0.00 H new ATOM 0 HA2 GLY A 84 43.099 -18.927 12.176 1.00 0.00 H new ATOM 0 HA3 GLY A 84 44.609 -19.386 11.414 1.00 0.00 H new ATOM 1165 N SER A 85 43.822 -20.559 13.967 1.00 0.00 N ATOM 1166 CA SER A 85 44.121 -21.312 15.180 1.00 0.00 C ATOM 1167 C SER A 85 44.306 -20.374 16.369 1.00 0.00 C ATOM 1168 O SER A 85 45.414 -20.171 16.867 1.00 0.00 O ATOM 1169 CB SER A 85 45.380 -22.158 14.983 1.00 0.00 C ATOM 1170 OG SER A 85 45.551 -23.074 16.051 1.00 0.00 O ATOM 0 H SER A 85 42.972 -20.854 13.486 1.00 0.00 H new ATOM 0 HA SER A 85 43.278 -21.971 15.386 1.00 0.00 H new ATOM 0 HB2 SER A 85 45.313 -22.702 14.041 1.00 0.00 H new ATOM 0 HB3 SER A 85 46.252 -21.508 14.914 1.00 0.00 H new ATOM 0 HG SER A 85 46.362 -23.604 15.901 1.00 0.00 H new ATOM 1176 N PRO A 86 43.194 -19.788 16.838 1.00 0.00 N ATOM 1177 CA PRO A 86 43.206 -18.862 17.974 1.00 0.00 C ATOM 1178 C PRO A 86 43.507 -19.566 19.293 1.00 0.00 C ATOM 1179 O PRO A 86 43.490 -20.794 19.386 1.00 0.00 O ATOM 1180 CB PRO A 86 41.785 -18.294 17.984 1.00 0.00 C ATOM 1181 CG PRO A 86 40.954 -19.340 17.325 1.00 0.00 C ATOM 1182 CD PRO A 86 41.840 -19.983 16.294 1.00 0.00 C ATOM 0 HA PRO A 86 43.982 -18.104 17.873 1.00 0.00 H new ATOM 0 HB2 PRO A 86 41.444 -18.100 19.001 1.00 0.00 H new ATOM 0 HB3 PRO A 86 41.733 -17.349 17.444 1.00 0.00 H new ATOM 0 HG2 PRO A 86 40.603 -20.074 18.050 1.00 0.00 H new ATOM 0 HG3 PRO A 86 40.070 -18.902 16.862 1.00 0.00 H new ATOM 0 HD2 PRO A 86 41.607 -21.040 16.167 1.00 0.00 H new ATOM 0 HD3 PRO A 86 41.728 -19.512 15.318 1.00 0.00 H new ATOM 1190 N PRO A 87 43.789 -18.774 20.337 1.00 0.00 N ATOM 1191 CA PRO A 87 44.098 -19.300 21.670 1.00 0.00 C ATOM 1192 C PRO A 87 42.880 -19.922 22.345 1.00 0.00 C ATOM 1193 O PRO A 87 41.743 -19.760 21.899 1.00 0.00 O ATOM 1194 CB PRO A 87 44.563 -18.063 22.441 1.00 0.00 C ATOM 1195 CG PRO A 87 43.909 -16.917 21.749 1.00 0.00 C ATOM 1196 CD PRO A 87 43.827 -17.302 20.298 1.00 0.00 C ATOM 0 HA PRO A 87 44.839 -20.098 21.631 1.00 0.00 H new ATOM 0 HB2 PRO A 87 44.266 -18.115 23.488 1.00 0.00 H new ATOM 0 HB3 PRO A 87 45.649 -17.970 22.422 1.00 0.00 H new ATOM 0 HG2 PRO A 87 42.917 -16.728 22.159 1.00 0.00 H new ATOM 0 HG3 PRO A 87 44.487 -16.002 21.878 1.00 0.00 H new ATOM 0 HD2 PRO A 87 42.937 -16.890 19.823 1.00 0.00 H new ATOM 0 HD3 PRO A 87 44.687 -16.937 19.736 1.00 0.00 H new ATOM 1204 N PRO A 88 43.119 -20.649 23.446 1.00 0.00 N ATOM 1205 CA PRO A 88 42.053 -21.309 24.206 1.00 0.00 C ATOM 1206 C PRO A 88 41.162 -20.312 24.939 1.00 0.00 C ATOM 1207 O PRO A 88 41.479 -19.128 25.055 1.00 0.00 O ATOM 1208 CB PRO A 88 42.817 -22.180 25.206 1.00 0.00 C ATOM 1209 CG PRO A 88 44.135 -21.504 25.367 1.00 0.00 C ATOM 1210 CD PRO A 88 44.448 -20.884 24.034 1.00 0.00 C ATOM 0 HA PRO A 88 41.379 -21.871 23.559 1.00 0.00 H new ATOM 0 HB2 PRO A 88 42.288 -22.248 26.157 1.00 0.00 H new ATOM 0 HB3 PRO A 88 42.937 -23.198 24.834 1.00 0.00 H new ATOM 0 HG2 PRO A 88 44.092 -20.746 26.149 1.00 0.00 H new ATOM 0 HG3 PRO A 88 44.907 -22.217 25.656 1.00 0.00 H new ATOM 0 HD2 PRO A 88 45.008 -19.956 24.144 1.00 0.00 H new ATOM 0 HD3 PRO A 88 45.050 -21.548 23.414 1.00 0.00 H new ATOM 1218 N PRO A 89 40.020 -20.799 25.447 1.00 0.00 N ATOM 1219 CA PRO A 89 39.061 -19.967 26.179 1.00 0.00 C ATOM 1220 C PRO A 89 39.593 -19.529 27.539 1.00 0.00 C ATOM 1221 O PRO A 89 40.193 -20.320 28.266 1.00 0.00 O ATOM 1222 CB PRO A 89 37.851 -20.889 26.350 1.00 0.00 C ATOM 1223 CG PRO A 89 38.413 -22.267 26.294 1.00 0.00 C ATOM 1224 CD PRO A 89 39.578 -22.200 25.346 1.00 0.00 C ATOM 0 HA PRO A 89 38.838 -19.041 25.650 1.00 0.00 H new ATOM 0 HB2 PRO A 89 37.345 -20.706 27.298 1.00 0.00 H new ATOM 0 HB3 PRO A 89 37.117 -20.729 25.561 1.00 0.00 H new ATOM 0 HG2 PRO A 89 38.732 -22.599 27.282 1.00 0.00 H new ATOM 0 HG3 PRO A 89 37.666 -22.979 25.944 1.00 0.00 H new ATOM 0 HD2 PRO A 89 40.369 -22.893 25.632 1.00 0.00 H new ATOM 0 HD3 PRO A 89 39.283 -22.456 24.328 1.00 0.00 H new ATOM 1232 N ALA A 90 39.369 -18.263 27.877 1.00 0.00 N ATOM 1233 CA ALA A 90 39.825 -17.721 29.151 1.00 0.00 C ATOM 1234 C ALA A 90 38.895 -16.616 29.641 1.00 0.00 C ATOM 1235 O ALA A 90 38.930 -15.493 29.137 1.00 0.00 O ATOM 1236 CB ALA A 90 41.248 -17.198 29.024 1.00 0.00 C ATOM 0 H ALA A 90 38.875 -17.594 27.286 1.00 0.00 H new ATOM 0 HA ALA A 90 39.810 -18.526 29.886 1.00 0.00 H new ATOM 0 HB1 ALA A 90 41.575 -16.796 29.983 1.00 0.00 H new ATOM 0 HB2 ALA A 90 41.910 -18.012 28.727 1.00 0.00 H new ATOM 0 HB3 ALA A 90 41.280 -16.411 28.271 1.00 0.00 H new ATOM 1242 N ASP A 91 38.065 -16.941 30.625 1.00 0.00 N ATOM 1243 CA ASP A 91 37.126 -15.975 31.184 1.00 0.00 C ATOM 1244 C ASP A 91 37.865 -14.849 31.900 1.00 0.00 C ATOM 1245 O ASP A 91 38.993 -15.027 32.359 1.00 0.00 O ATOM 1246 CB ASP A 91 36.164 -16.667 32.151 1.00 0.00 C ATOM 1247 CG ASP A 91 34.722 -16.258 31.926 1.00 0.00 C ATOM 1248 OD1 ASP A 91 34.172 -16.588 30.854 1.00 0.00 O ATOM 1249 OD2 ASP A 91 34.143 -15.610 32.822 1.00 0.00 O ATOM 0 H ASP A 91 38.023 -17.866 31.053 1.00 0.00 H new ATOM 0 HA ASP A 91 36.555 -15.544 30.362 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.254 -17.747 32.037 1.00 0.00 H new ATOM 0 HB3 ASP A 91 36.450 -16.429 33.176 1.00 0.00 H new ATOM 1254 N GLY A 92 37.222 -13.689 31.992 1.00 0.00 N ATOM 1255 CA GLY A 92 37.834 -12.552 32.652 1.00 0.00 C ATOM 1256 C GLY A 92 37.984 -12.760 34.146 1.00 0.00 C ATOM 1257 O GLY A 92 37.061 -12.489 34.913 1.00 0.00 O ATOM 0 H GLY A 92 36.288 -13.517 31.621 1.00 0.00 H new ATOM 0 HA2 GLY A 92 38.815 -12.366 32.214 1.00 0.00 H new ATOM 0 HA3 GLY A 92 37.230 -11.663 32.471 1.00 0.00 H new ATOM 1261 N GLY A 93 39.150 -13.244 34.561 1.00 0.00 N ATOM 1262 CA GLY A 93 39.395 -13.482 35.972 1.00 0.00 C ATOM 1263 C GLY A 93 40.078 -12.310 36.648 1.00 0.00 C ATOM 1264 O GLY A 93 40.219 -11.240 36.056 1.00 0.00 O ATOM 0 H GLY A 93 39.930 -13.476 33.946 1.00 0.00 H new ATOM 0 HA2 GLY A 93 38.448 -13.685 36.473 1.00 0.00 H new ATOM 0 HA3 GLY A 93 40.013 -14.373 36.085 1.00 0.00 H new ATOM 1268 N SER A 94 40.501 -12.510 37.892 1.00 0.00 N ATOM 1269 CA SER A 94 41.168 -11.459 38.651 1.00 0.00 C ATOM 1270 C SER A 94 41.773 -12.017 39.936 1.00 0.00 C ATOM 1271 O SER A 94 41.156 -12.002 41.001 1.00 0.00 O ATOM 1272 CB SER A 94 40.182 -10.337 38.984 1.00 0.00 C ATOM 1273 OG SER A 94 39.124 -10.813 39.798 1.00 0.00 O ATOM 0 H SER A 94 40.394 -13.390 38.396 1.00 0.00 H new ATOM 0 HA SER A 94 41.973 -11.056 38.036 1.00 0.00 H new ATOM 0 HB2 SER A 94 40.705 -9.530 39.497 1.00 0.00 H new ATOM 0 HB3 SER A 94 39.776 -9.919 38.062 1.00 0.00 H new ATOM 0 HG SER A 94 39.484 -11.409 40.488 1.00 0.00 H new ATOM 1279 N PRO A 95 43.012 -12.522 39.834 1.00 0.00 N ATOM 1280 CA PRO A 95 43.756 -12.545 38.572 1.00 0.00 C ATOM 1281 C PRO A 95 43.166 -13.532 37.570 1.00 0.00 C ATOM 1282 O PRO A 95 42.404 -14.431 37.923 1.00 0.00 O ATOM 1283 CB PRO A 95 45.159 -12.988 38.995 1.00 0.00 C ATOM 1284 CG PRO A 95 44.950 -13.756 40.255 1.00 0.00 C ATOM 1285 CD PRO A 95 43.780 -13.109 40.945 1.00 0.00 C ATOM 0 HA PRO A 95 43.733 -11.579 38.068 1.00 0.00 H new ATOM 0 HB2 PRO A 95 45.627 -13.605 38.228 1.00 0.00 H new ATOM 0 HB3 PRO A 95 45.813 -12.131 39.157 1.00 0.00 H new ATOM 0 HG2 PRO A 95 44.746 -14.806 40.043 1.00 0.00 H new ATOM 0 HG3 PRO A 95 45.840 -13.724 40.884 1.00 0.00 H new ATOM 0 HD2 PRO A 95 43.189 -13.836 41.502 1.00 0.00 H new ATOM 0 HD3 PRO A 95 44.103 -12.349 41.656 1.00 0.00 H new ATOM 1293 N PRO A 96 43.526 -13.362 36.289 1.00 0.00 N ATOM 1294 CA PRO A 96 43.045 -14.229 35.209 1.00 0.00 C ATOM 1295 C PRO A 96 43.631 -15.634 35.289 1.00 0.00 C ATOM 1296 O PRO A 96 44.600 -15.873 36.009 1.00 0.00 O ATOM 1297 CB PRO A 96 43.529 -13.519 33.942 1.00 0.00 C ATOM 1298 CG PRO A 96 44.713 -12.729 34.379 1.00 0.00 C ATOM 1299 CD PRO A 96 44.432 -12.310 35.796 1.00 0.00 C ATOM 0 HA PRO A 96 41.965 -14.369 35.249 1.00 0.00 H new ATOM 0 HB2 PRO A 96 43.796 -14.235 33.165 1.00 0.00 H new ATOM 0 HB3 PRO A 96 42.753 -12.874 33.529 1.00 0.00 H new ATOM 0 HG2 PRO A 96 45.623 -13.326 34.322 1.00 0.00 H new ATOM 0 HG3 PRO A 96 44.861 -11.860 33.737 1.00 0.00 H new ATOM 0 HD2 PRO A 96 45.346 -12.257 36.388 1.00 0.00 H new ATOM 0 HD3 PRO A 96 43.966 -11.326 35.839 1.00 0.00 H new ATOM 1307 N VAL A 97 43.036 -16.562 34.546 1.00 0.00 N ATOM 1308 CA VAL A 97 43.500 -17.944 34.532 1.00 0.00 C ATOM 1309 C VAL A 97 44.055 -18.323 33.164 1.00 0.00 C ATOM 1310 O VAL A 97 43.798 -19.416 32.659 1.00 0.00 O ATOM 1311 CB VAL A 97 42.368 -18.920 34.902 1.00 0.00 C ATOM 1312 CG1 VAL A 97 41.988 -18.766 36.367 1.00 0.00 C ATOM 1313 CG2 VAL A 97 41.160 -18.700 34.004 1.00 0.00 C ATOM 0 H VAL A 97 42.231 -16.381 33.946 1.00 0.00 H new ATOM 0 HA VAL A 97 44.292 -18.019 35.277 1.00 0.00 H new ATOM 0 HB VAL A 97 42.725 -19.938 34.749 1.00 0.00 H new ATOM 0 HG11 VAL A 97 41.187 -19.464 36.610 1.00 0.00 H new ATOM 0 HG12 VAL A 97 42.856 -18.978 36.992 1.00 0.00 H new ATOM 0 HG13 VAL A 97 41.649 -17.746 36.550 1.00 0.00 H new ATOM 0 HG21 VAL A 97 40.370 -19.398 34.280 1.00 0.00 H new ATOM 0 HG22 VAL A 97 40.799 -17.678 34.123 1.00 0.00 H new ATOM 0 HG23 VAL A 97 41.444 -18.866 32.965 1.00 0.00 H new ATOM 1323 N ASP A 98 44.819 -17.413 32.569 1.00 0.00 N ATOM 1324 CA ASP A 98 45.413 -17.652 31.258 1.00 0.00 C ATOM 1325 C ASP A 98 46.294 -18.898 31.280 1.00 0.00 C ATOM 1326 O ASP A 98 46.979 -19.169 32.265 1.00 0.00 O ATOM 1327 CB ASP A 98 46.235 -16.440 30.818 1.00 0.00 C ATOM 1328 CG ASP A 98 45.901 -15.995 29.408 1.00 0.00 C ATOM 1329 OD1 ASP A 98 44.717 -16.083 29.023 1.00 0.00 O ATOM 1330 OD2 ASP A 98 46.825 -15.560 28.689 1.00 0.00 O ATOM 0 H ASP A 98 45.042 -16.503 32.973 1.00 0.00 H new ATOM 0 HA ASP A 98 44.605 -17.812 30.544 1.00 0.00 H new ATOM 0 HB2 ASP A 98 46.058 -15.615 31.508 1.00 0.00 H new ATOM 0 HB3 ASP A 98 47.296 -16.683 30.877 1.00 0.00 H new ATOM 1335 N GLY A 99 46.268 -19.654 30.186 1.00 0.00 N ATOM 1336 CA GLY A 99 47.067 -20.863 30.101 1.00 0.00 C ATOM 1337 C GLY A 99 46.221 -22.120 30.133 1.00 0.00 C ATOM 1338 O GLY A 99 45.181 -22.160 30.789 1.00 0.00 O ATOM 0 H GLY A 99 45.708 -19.451 29.358 1.00 0.00 H new ATOM 0 HA2 GLY A 99 47.651 -20.845 29.181 1.00 0.00 H new ATOM 0 HA3 GLY A 99 47.776 -20.885 30.928 1.00 0.00 H new ATOM 1342 N GLY A 100 46.667 -23.150 29.422 1.00 0.00 N ATOM 1343 CA GLY A 100 45.931 -24.400 29.384 1.00 0.00 C ATOM 1344 C GLY A 100 44.478 -24.206 28.999 1.00 0.00 C ATOM 1345 O GLY A 100 44.171 -23.873 27.854 1.00 0.00 O ATOM 0 H GLY A 100 47.525 -23.141 28.871 1.00 0.00 H new ATOM 0 HA2 GLY A 100 46.405 -25.076 28.672 1.00 0.00 H new ATOM 0 HA3 GLY A 100 45.984 -24.879 30.362 1.00 0.00 H new ATOM 1349 N SER A 101 43.580 -24.414 29.957 1.00 0.00 N ATOM 1350 CA SER A 101 42.151 -24.265 29.711 1.00 0.00 C ATOM 1351 C SER A 101 41.710 -25.124 28.530 1.00 0.00 C ATOM 1352 O SER A 101 41.373 -24.623 27.457 1.00 0.00 O ATOM 1353 CB SER A 101 41.808 -22.798 29.446 1.00 0.00 C ATOM 1354 OG SER A 101 41.416 -22.142 30.640 1.00 0.00 O ATOM 0 H SER A 101 43.817 -24.686 30.911 1.00 0.00 H new ATOM 0 HA SER A 101 41.618 -24.600 30.600 1.00 0.00 H new ATOM 0 HB2 SER A 101 42.672 -22.291 29.016 1.00 0.00 H new ATOM 0 HB3 SER A 101 41.004 -22.736 28.713 1.00 0.00 H new ATOM 0 HG SER A 101 41.204 -21.206 30.444 1.00 0.00 H new ATOM 1360 N PRO A 102 41.713 -26.450 28.730 1.00 0.00 N ATOM 1361 CA PRO A 102 41.316 -27.408 27.693 1.00 0.00 C ATOM 1362 C PRO A 102 39.821 -27.356 27.398 1.00 0.00 C ATOM 1363 O PRO A 102 39.041 -26.738 28.124 1.00 0.00 O ATOM 1364 CB PRO A 102 41.695 -28.762 28.297 1.00 0.00 C ATOM 1365 CG PRO A 102 41.668 -28.541 29.770 1.00 0.00 C ATOM 1366 CD PRO A 102 42.103 -27.117 29.983 1.00 0.00 C ATOM 0 HA PRO A 102 41.801 -27.201 26.739 1.00 0.00 H new ATOM 0 HB2 PRO A 102 40.990 -29.539 28.000 1.00 0.00 H new ATOM 0 HB3 PRO A 102 42.682 -29.082 27.963 1.00 0.00 H new ATOM 0 HG2 PRO A 102 40.668 -28.708 30.171 1.00 0.00 H new ATOM 0 HG3 PRO A 102 42.337 -29.234 30.281 1.00 0.00 H new ATOM 0 HD2 PRO A 102 41.609 -26.671 30.846 1.00 0.00 H new ATOM 0 HD3 PRO A 102 43.177 -27.047 30.158 1.00 0.00 H new ATOM 1374 N PRO A 103 39.408 -28.021 26.308 1.00 0.00 N ATOM 1375 CA PRO A 103 40.327 -28.760 25.437 1.00 0.00 C ATOM 1376 C PRO A 103 41.245 -27.834 24.646 1.00 0.00 C ATOM 1377 O PRO A 103 41.043 -26.622 24.586 1.00 0.00 O ATOM 1378 CB PRO A 103 39.389 -29.517 24.494 1.00 0.00 C ATOM 1379 CG PRO A 103 38.139 -28.707 24.472 1.00 0.00 C ATOM 1380 CD PRO A 103 38.014 -28.102 25.843 1.00 0.00 C ATOM 0 HA PRO A 103 40.996 -29.407 26.004 1.00 0.00 H new ATOM 0 HB2 PRO A 103 39.819 -29.608 23.497 1.00 0.00 H new ATOM 0 HB3 PRO A 103 39.199 -30.529 24.853 1.00 0.00 H new ATOM 0 HG2 PRO A 103 38.189 -27.932 23.707 1.00 0.00 H new ATOM 0 HG3 PRO A 103 37.275 -29.329 24.240 1.00 0.00 H new ATOM 0 HD2 PRO A 103 37.545 -27.119 25.807 1.00 0.00 H new ATOM 0 HD3 PRO A 103 37.406 -28.722 26.502 1.00 0.00 H new ATOM 1388 N PRO A 104 42.280 -28.418 24.022 1.00 0.00 N ATOM 1389 CA PRO A 104 43.249 -27.664 23.222 1.00 0.00 C ATOM 1390 C PRO A 104 42.643 -27.131 21.928 1.00 0.00 C ATOM 1391 O PRO A 104 41.546 -27.516 21.523 1.00 0.00 O ATOM 1392 CB PRO A 104 44.337 -28.696 22.917 1.00 0.00 C ATOM 1393 CG PRO A 104 43.643 -30.012 22.996 1.00 0.00 C ATOM 1394 CD PRO A 104 42.582 -29.859 24.050 1.00 0.00 C ATOM 0 HA PRO A 104 43.614 -26.783 23.749 1.00 0.00 H new ATOM 0 HB2 PRO A 104 44.770 -28.535 21.930 1.00 0.00 H new ATOM 0 HB3 PRO A 104 45.153 -28.635 23.637 1.00 0.00 H new ATOM 0 HG2 PRO A 104 43.203 -30.279 22.035 1.00 0.00 H new ATOM 0 HG3 PRO A 104 44.342 -30.806 23.258 1.00 0.00 H new ATOM 0 HD2 PRO A 104 41.701 -30.459 23.823 1.00 0.00 H new ATOM 0 HD3 PRO A 104 42.940 -30.176 25.030 1.00 0.00 H new ATOM 1402 N PRO A 105 43.373 -26.224 21.262 1.00 0.00 N ATOM 1403 CA PRO A 105 42.927 -25.620 20.003 1.00 0.00 C ATOM 1404 C PRO A 105 42.931 -26.616 18.848 1.00 0.00 C ATOM 1405 O PRO A 105 43.432 -27.732 18.981 1.00 0.00 O ATOM 1406 CB PRO A 105 43.954 -24.512 19.757 1.00 0.00 C ATOM 1407 CG PRO A 105 45.176 -24.962 20.481 1.00 0.00 C ATOM 1408 CD PRO A 105 44.689 -25.719 21.686 1.00 0.00 C ATOM 0 HA PRO A 105 41.900 -25.261 20.065 1.00 0.00 H new ATOM 0 HB2 PRO A 105 44.149 -24.382 18.693 1.00 0.00 H new ATOM 0 HB3 PRO A 105 43.600 -23.553 20.135 1.00 0.00 H new ATOM 0 HG2 PRO A 105 45.795 -25.596 19.846 1.00 0.00 H new ATOM 0 HG3 PRO A 105 45.790 -24.111 20.777 1.00 0.00 H new ATOM 0 HD2 PRO A 105 45.365 -26.532 21.950 1.00 0.00 H new ATOM 0 HD3 PRO A 105 44.609 -25.074 22.561 1.00 0.00 H new ATOM 1416 N SER A 106 42.370 -26.204 17.715 1.00 0.00 N ATOM 1417 CA SER A 106 42.307 -27.062 16.538 1.00 0.00 C ATOM 1418 C SER A 106 41.523 -28.336 16.836 1.00 0.00 C ATOM 1419 O SER A 106 41.801 -29.397 16.276 1.00 0.00 O ATOM 1420 CB SER A 106 43.717 -27.417 16.063 1.00 0.00 C ATOM 1421 OG SER A 106 44.500 -26.251 15.875 1.00 0.00 O ATOM 0 H SER A 106 41.953 -25.282 17.588 1.00 0.00 H new ATOM 0 HA SER A 106 41.792 -26.515 15.748 1.00 0.00 H new ATOM 0 HB2 SER A 106 44.197 -28.068 16.794 1.00 0.00 H new ATOM 0 HB3 SER A 106 43.660 -27.975 15.128 1.00 0.00 H new ATOM 0 HG SER A 106 45.397 -26.505 15.573 1.00 0.00 H new ATOM 1427 N THR A 107 40.539 -28.224 17.723 1.00 0.00 N ATOM 1428 CA THR A 107 39.714 -29.366 18.098 1.00 0.00 C ATOM 1429 C THR A 107 39.031 -29.974 16.879 1.00 0.00 C ATOM 1430 O THR A 107 38.690 -29.269 15.929 1.00 0.00 O ATOM 1431 CB THR A 107 38.641 -28.970 19.129 1.00 0.00 C ATOM 1432 OG1 THR A 107 37.852 -30.112 19.479 1.00 0.00 O ATOM 1433 CG2 THR A 107 37.740 -27.874 18.579 1.00 0.00 C ATOM 0 H THR A 107 40.294 -27.354 18.195 1.00 0.00 H new ATOM 0 HA THR A 107 40.380 -30.104 18.544 1.00 0.00 H new ATOM 0 HB THR A 107 39.146 -28.592 20.018 1.00 0.00 H new ATOM 0 HG1 THR A 107 37.173 -29.852 20.136 1.00 0.00 H new ATOM 0 HG21 THR A 107 36.990 -27.611 19.325 1.00 0.00 H new ATOM 0 HG22 THR A 107 38.339 -26.995 18.342 1.00 0.00 H new ATOM 0 HG23 THR A 107 37.244 -28.230 17.676 1.00 0.00 H new ATOM 1441 N HIS A 108 38.833 -31.289 16.911 1.00 0.00 N ATOM 1442 CA HIS A 108 38.188 -31.992 15.808 1.00 0.00 C ATOM 1443 C HIS A 108 36.986 -32.792 16.302 1.00 0.00 C ATOM 1444 O HIS A 108 37.141 -33.788 17.010 1.00 0.00 O ATOM 1445 CB HIS A 108 39.185 -32.922 15.116 1.00 0.00 C ATOM 1446 CG HIS A 108 38.961 -33.049 13.640 1.00 0.00 C ATOM 1447 ND1 HIS A 108 38.674 -34.248 13.023 1.00 0.00 N ATOM 1448 CD2 HIS A 108 38.981 -32.117 12.659 1.00 0.00 C ATOM 1449 CE1 HIS A 108 38.530 -34.049 11.725 1.00 0.00 C ATOM 1450 NE2 HIS A 108 38.711 -32.764 11.478 1.00 0.00 N ATOM 0 H HIS A 108 39.110 -31.888 17.689 1.00 0.00 H new ATOM 0 HA HIS A 108 37.838 -31.249 15.091 1.00 0.00 H new ATOM 0 HB2 HIS A 108 40.196 -32.553 15.291 1.00 0.00 H new ATOM 0 HB3 HIS A 108 39.123 -33.911 15.571 1.00 0.00 H new ATOM 0 HD2 HIS A 108 39.173 -31.061 12.782 1.00 0.00 H new ATOM 0 HE1 HIS A 108 38.303 -34.808 10.991 1.00 0.00 H new ATOM 0 HE2 HIS A 108 38.659 -32.324 10.559 1.00 0.00 H new TER 1458 HIS A 108