USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 516 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 1 ASN : amide:sc= 0.363 K(o=0.36,f=-5.1!) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 109:sc= 0.48 USER MOD Single : A 35 SER OG : rot -45:sc= 0.749 USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.0213 (180deg=-0.5) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.247 X(o=-0.25,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 61 SER OG : rot 110:sc=7.61e-05 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0013) USER MOD Single : A 68 GLN : amide:sc= 0.462 K(o=0.46,f=-3.1!) USER MOD Single : A 69 LYS NZ :NH3+ -112:sc= 0.861 (180deg=-0.298) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 20.113 44.291 35.051 1.00 20.00 N ATOM 2 CA ASN A 1 20.001 43.684 33.712 1.00 20.00 C ATOM 3 C ASN A 1 19.894 42.168 33.853 1.00 20.00 C ATOM 4 O ASN A 1 20.905 41.495 34.042 1.00 20.00 O ATOM 5 CB ASN A 1 21.188 44.095 32.821 1.00 20.00 C ATOM 6 CG ASN A 1 20.955 43.799 31.343 1.00 20.00 C ATOM 7 OD1 ASN A 1 20.408 42.762 30.980 1.00 20.00 O ATOM 8 ND2 ASN A 1 21.389 44.710 30.474 1.00 20.00 N ATOM 0 H1 ASN A 1 20.186 45.324 34.959 1.00 20.00 H new ATOM 0 H2 ASN A 1 19.270 44.052 35.612 1.00 20.00 H new ATOM 0 H3 ASN A 1 20.962 43.925 35.528 1.00 20.00 H new ATOM 0 HA ASN A 1 19.099 44.050 33.222 1.00 20.00 H new ATOM 0 HB2 ASN A 1 21.377 45.161 32.947 1.00 20.00 H new ATOM 0 HB3 ASN A 1 22.084 43.571 33.154 1.00 20.00 H new ATOM 0 HD21 ASN A 1 21.271 44.557 29.473 1.00 20.00 H new ATOM 0 HD22 ASN A 1 21.839 45.561 30.810 1.00 20.00 H new ATOM 17 N GLU A 2 18.668 41.636 33.781 1.00 20.00 N ATOM 18 CA GLU A 2 18.415 40.210 33.987 1.00 20.00 C ATOM 19 C GLU A 2 19.016 39.369 32.857 1.00 20.00 C ATOM 20 O GLU A 2 19.547 38.291 33.108 1.00 20.00 O ATOM 21 CB GLU A 2 16.904 39.954 34.110 1.00 20.00 C ATOM 22 CG GLU A 2 16.608 38.636 34.843 1.00 20.00 C ATOM 23 CD GLU A 2 17.105 38.619 36.294 1.00 20.00 C ATOM 24 OE1 GLU A 2 17.750 37.619 36.678 1.00 20.00 O ATOM 25 OE2 GLU A 2 16.816 39.599 37.016 1.00 20.00 O ATOM 0 H GLU A 2 17.829 42.181 33.579 1.00 20.00 H new ATOM 0 HA GLU A 2 18.900 39.909 34.915 1.00 20.00 H new ATOM 0 HB2 GLU A 2 16.437 40.781 34.645 1.00 20.00 H new ATOM 0 HB3 GLU A 2 16.458 39.926 33.116 1.00 20.00 H new ATOM 0 HG2 GLU A 2 15.533 38.457 34.833 1.00 20.00 H new ATOM 0 HG3 GLU A 2 17.073 37.814 34.298 1.00 20.00 H new ATOM 32 N CYS A 3 18.957 39.883 31.624 1.00 20.00 N ATOM 33 CA CYS A 3 19.419 39.223 30.416 1.00 20.00 C ATOM 34 C CYS A 3 20.942 39.011 30.419 1.00 20.00 C ATOM 35 O CYS A 3 21.399 37.928 30.052 1.00 20.00 O ATOM 36 CB CYS A 3 18.935 40.080 29.244 1.00 20.00 C ATOM 37 SG CYS A 3 18.970 39.328 27.605 1.00 20.00 S ATOM 0 H CYS A 3 18.569 40.808 31.442 1.00 20.00 H new ATOM 0 HA CYS A 3 19.010 38.216 30.338 1.00 20.00 H new ATOM 0 HB2 CYS A 3 17.911 40.390 29.452 1.00 20.00 H new ATOM 0 HB3 CYS A 3 19.542 40.985 29.214 1.00 20.00 H new ATOM 42 N VAL A 4 21.723 40.006 30.875 1.00 20.00 N ATOM 43 CA VAL A 4 23.181 39.913 30.998 1.00 20.00 C ATOM 44 C VAL A 4 23.573 39.090 32.233 1.00 20.00 C ATOM 45 O VAL A 4 24.507 38.293 32.153 1.00 20.00 O ATOM 46 CB VAL A 4 23.793 41.332 31.041 1.00 20.00 C ATOM 47 CG1 VAL A 4 25.302 41.327 31.339 1.00 20.00 C ATOM 48 CG2 VAL A 4 23.579 42.042 29.694 1.00 20.00 C ATOM 0 H VAL A 4 21.350 40.908 31.171 1.00 20.00 H new ATOM 0 HA VAL A 4 23.581 39.395 30.126 1.00 20.00 H new ATOM 0 HB VAL A 4 23.285 41.856 31.851 1.00 20.00 H new ATOM 0 HG11 VAL A 4 25.673 42.352 31.356 1.00 20.00 H new ATOM 0 HG12 VAL A 4 25.480 40.861 32.308 1.00 20.00 H new ATOM 0 HG13 VAL A 4 25.824 40.765 30.564 1.00 20.00 H new ATOM 0 HG21 VAL A 4 24.014 43.041 29.736 1.00 20.00 H new ATOM 0 HG22 VAL A 4 24.060 41.470 28.901 1.00 20.00 H new ATOM 0 HG23 VAL A 4 22.511 42.120 29.489 1.00 20.00 H new ATOM 58 N SER A 5 22.862 39.268 33.357 1.00 20.00 N ATOM 59 CA SER A 5 23.114 38.576 34.624 1.00 20.00 C ATOM 60 C SER A 5 22.936 37.055 34.512 1.00 20.00 C ATOM 61 O SER A 5 23.699 36.307 35.123 1.00 20.00 O ATOM 62 CB SER A 5 22.191 39.160 35.702 1.00 20.00 C ATOM 63 OG SER A 5 22.417 38.557 36.958 1.00 20.00 O ATOM 0 H SER A 5 22.075 39.915 33.408 1.00 20.00 H new ATOM 0 HA SER A 5 24.156 38.738 34.899 1.00 20.00 H new ATOM 0 HB2 SER A 5 22.354 40.235 35.779 1.00 20.00 H new ATOM 0 HB3 SER A 5 21.151 39.015 35.410 1.00 20.00 H new ATOM 0 HG SER A 5 21.815 38.951 37.623 1.00 20.00 H new ATOM 69 N LYS A 6 21.961 36.598 33.712 1.00 20.00 N ATOM 70 CA LYS A 6 21.717 35.187 33.418 1.00 20.00 C ATOM 71 C LYS A 6 22.726 34.588 32.417 1.00 20.00 C ATOM 72 O LYS A 6 22.716 33.374 32.215 1.00 20.00 O ATOM 73 CB LYS A 6 20.280 35.019 32.900 1.00 20.00 C ATOM 74 CG LYS A 6 19.188 35.231 33.962 1.00 20.00 C ATOM 75 CD LYS A 6 19.090 34.036 34.917 1.00 20.00 C ATOM 76 CE LYS A 6 17.946 34.237 35.909 1.00 20.00 C ATOM 77 NZ LYS A 6 17.860 33.107 36.850 1.00 20.00 N ATOM 0 H LYS A 6 21.305 37.221 33.241 1.00 20.00 H new ATOM 0 HA LYS A 6 21.852 34.634 34.347 1.00 20.00 H new ATOM 0 HB2 LYS A 6 20.117 35.724 32.084 1.00 20.00 H new ATOM 0 HB3 LYS A 6 20.173 34.018 32.482 1.00 20.00 H new ATOM 0 HG2 LYS A 6 19.404 36.135 34.531 1.00 20.00 H new ATOM 0 HG3 LYS A 6 18.227 35.385 33.471 1.00 20.00 H new ATOM 0 HD2 LYS A 6 18.929 33.120 34.348 1.00 20.00 H new ATOM 0 HD3 LYS A 6 20.030 33.916 35.456 1.00 20.00 H new ATOM 0 HE2 LYS A 6 18.097 35.164 36.461 1.00 20.00 H new ATOM 0 HE3 LYS A 6 17.005 34.338 35.369 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 17.075 33.267 37.514 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 17.693 32.227 36.321 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 18.751 33.028 37.380 1.00 20.00 H new ATOM 91 N GLY A 7 23.612 35.405 31.827 1.00 20.00 N ATOM 92 CA GLY A 7 24.727 34.953 30.999 1.00 20.00 C ATOM 93 C GLY A 7 24.403 34.881 29.505 1.00 20.00 C ATOM 94 O GLY A 7 25.035 34.095 28.798 1.00 20.00 O ATOM 0 H GLY A 7 23.567 36.420 31.918 1.00 20.00 H new ATOM 0 HA2 GLY A 7 25.571 35.627 31.145 1.00 20.00 H new ATOM 0 HA3 GLY A 7 25.043 33.967 31.340 1.00 20.00 H new ATOM 98 N PHE A 8 23.428 35.672 29.031 1.00 20.00 N ATOM 99 CA PHE A 8 22.967 35.679 27.643 1.00 20.00 C ATOM 100 C PHE A 8 23.348 36.982 26.928 1.00 20.00 C ATOM 101 O PHE A 8 23.906 37.900 27.534 1.00 20.00 O ATOM 102 CB PHE A 8 21.455 35.413 27.608 1.00 20.00 C ATOM 103 CG PHE A 8 21.020 34.191 28.396 1.00 20.00 C ATOM 104 CD1 PHE A 8 20.054 34.307 29.413 1.00 20.00 C ATOM 105 CD2 PHE A 8 21.589 32.933 28.117 1.00 20.00 C ATOM 106 CE1 PHE A 8 19.634 33.165 30.115 1.00 20.00 C ATOM 107 CE2 PHE A 8 21.215 31.805 28.865 1.00 20.00 C ATOM 108 CZ PHE A 8 20.235 31.922 29.863 1.00 20.00 C ATOM 0 H PHE A 8 22.929 36.339 29.620 1.00 20.00 H new ATOM 0 HA PHE A 8 23.468 34.881 27.096 1.00 20.00 H new ATOM 0 HB2 PHE A 8 20.934 36.287 27.998 1.00 20.00 H new ATOM 0 HB3 PHE A 8 21.142 35.293 26.571 1.00 20.00 H new ATOM 0 HD1 PHE A 8 19.636 35.273 29.654 1.00 20.00 H new ATOM 0 HD2 PHE A 8 22.316 32.836 27.324 1.00 20.00 H new ATOM 0 HE1 PHE A 8 18.847 33.244 30.850 1.00 20.00 H new ATOM 0 HE2 PHE A 8 21.680 30.850 28.673 1.00 20.00 H new ATOM 0 HZ PHE A 8 19.943 31.055 30.437 1.00 20.00 H new ATOM 118 N GLY A 9 23.065 37.032 25.620 1.00 20.00 N ATOM 119 CA GLY A 9 23.501 38.085 24.708 1.00 20.00 C ATOM 120 C GLY A 9 22.338 38.843 24.069 1.00 20.00 C ATOM 121 O GLY A 9 21.168 38.522 24.288 1.00 20.00 O ATOM 0 H GLY A 9 22.507 36.314 25.157 1.00 20.00 H new ATOM 0 HA2 GLY A 9 24.132 38.789 25.250 1.00 20.00 H new ATOM 0 HA3 GLY A 9 24.116 37.646 23.923 1.00 20.00 H new ATOM 125 N CYS A 10 22.693 39.846 23.256 1.00 20.00 N ATOM 126 CA CYS A 10 21.768 40.725 22.551 1.00 20.00 C ATOM 127 C CYS A 10 22.045 40.676 21.045 1.00 20.00 C ATOM 128 O CYS A 10 22.530 41.641 20.452 1.00 20.00 O ATOM 129 CB CYS A 10 21.819 42.144 23.135 1.00 20.00 C ATOM 130 SG CYS A 10 21.571 42.269 24.922 1.00 20.00 S ATOM 0 H CYS A 10 23.670 40.071 23.068 1.00 20.00 H new ATOM 0 HA CYS A 10 20.745 40.376 22.694 1.00 20.00 H new ATOM 0 HB2 CYS A 10 22.786 42.583 22.890 1.00 20.00 H new ATOM 0 HB3 CYS A 10 21.060 42.748 22.639 1.00 20.00 H new ATOM 135 N LEU A 11 21.734 39.524 20.438 1.00 20.00 N ATOM 136 CA LEU A 11 21.742 39.317 18.992 1.00 20.00 C ATOM 137 C LEU A 11 20.551 40.066 18.364 1.00 20.00 C ATOM 138 O LEU A 11 19.541 40.262 19.038 1.00 20.00 O ATOM 139 CB LEU A 11 21.631 37.810 18.689 1.00 20.00 C ATOM 140 CG LEU A 11 22.955 37.021 18.751 1.00 20.00 C ATOM 141 CD1 LEU A 11 23.603 37.025 20.143 1.00 20.00 C ATOM 142 CD2 LEU A 11 22.695 35.565 18.341 1.00 20.00 C ATOM 0 H LEU A 11 21.463 38.689 20.958 1.00 20.00 H new ATOM 0 HA LEU A 11 22.672 39.700 18.570 1.00 20.00 H new ATOM 0 HB2 LEU A 11 20.930 37.366 19.396 1.00 20.00 H new ATOM 0 HB3 LEU A 11 21.202 37.688 17.695 1.00 20.00 H new ATOM 0 HG LEU A 11 23.645 37.516 18.068 1.00 20.00 H new ATOM 0 HD11 LEU A 11 24.530 36.452 20.115 1.00 20.00 H new ATOM 0 HD12 LEU A 11 23.820 38.051 20.441 1.00 20.00 H new ATOM 0 HD13 LEU A 11 22.920 36.575 20.864 1.00 20.00 H new ATOM 0 HD21 LEU A 11 23.628 35.003 18.383 1.00 20.00 H new ATOM 0 HD22 LEU A 11 21.971 35.119 19.023 1.00 20.00 H new ATOM 0 HD23 LEU A 11 22.301 35.538 17.325 1.00 20.00 H new ATOM 154 N PRO A 12 20.613 40.442 17.071 1.00 20.00 N ATOM 155 CA PRO A 12 19.480 41.016 16.351 1.00 20.00 C ATOM 156 C PRO A 12 18.420 39.943 16.067 1.00 20.00 C ATOM 157 O PRO A 12 18.721 38.750 16.085 1.00 20.00 O ATOM 158 CB PRO A 12 20.078 41.580 15.059 1.00 20.00 C ATOM 159 CG PRO A 12 21.262 40.653 14.788 1.00 20.00 C ATOM 160 CD PRO A 12 21.760 40.302 16.189 1.00 20.00 C ATOM 0 HA PRO A 12 18.971 41.791 16.924 1.00 20.00 H new ATOM 0 HB2 PRO A 12 19.358 41.563 14.241 1.00 20.00 H new ATOM 0 HB3 PRO A 12 20.397 42.615 15.181 1.00 20.00 H new ATOM 0 HG2 PRO A 12 20.959 39.764 14.234 1.00 20.00 H new ATOM 0 HG3 PRO A 12 22.034 41.148 14.199 1.00 20.00 H new ATOM 0 HD2 PRO A 12 22.153 39.286 16.220 1.00 20.00 H new ATOM 0 HD3 PRO A 12 22.569 40.966 16.493 1.00 20.00 H new ATOM 168 N GLN A 13 17.186 40.362 15.755 1.00 20.00 N ATOM 169 CA GLN A 13 16.102 39.452 15.370 1.00 20.00 C ATOM 170 C GLN A 13 16.394 38.731 14.041 1.00 20.00 C ATOM 171 O GLN A 13 15.885 37.633 13.822 1.00 20.00 O ATOM 172 CB GLN A 13 14.776 40.224 15.282 1.00 20.00 C ATOM 173 CG GLN A 13 14.277 40.699 16.656 1.00 20.00 C ATOM 174 CD GLN A 13 13.010 41.539 16.523 1.00 20.00 C ATOM 175 OE1 GLN A 13 11.904 41.006 16.468 1.00 20.00 O ATOM 176 NE2 GLN A 13 13.157 42.861 16.464 1.00 20.00 N ATOM 0 H GLN A 13 16.912 41.345 15.763 1.00 20.00 H new ATOM 0 HA GLN A 13 16.025 38.685 16.141 1.00 20.00 H new ATOM 0 HB2 GLN A 13 14.905 41.087 14.628 1.00 20.00 H new ATOM 0 HB3 GLN A 13 14.019 39.587 14.825 1.00 20.00 H new ATOM 0 HG2 GLN A 13 14.079 39.836 17.292 1.00 20.00 H new ATOM 0 HG3 GLN A 13 15.055 41.285 17.146 1.00 20.00 H new ATOM 0 HE21 GLN A 13 14.089 43.273 16.512 1.00 20.00 H new ATOM 0 HE22 GLN A 13 12.338 43.462 16.371 1.00 20.00 H new ATOM 185 N SER A 14 17.240 39.316 13.179 1.00 20.00 N ATOM 186 CA SER A 14 17.687 38.724 11.925 1.00 20.00 C ATOM 187 C SER A 14 18.489 37.434 12.151 1.00 20.00 C ATOM 188 O SER A 14 18.305 36.474 11.401 1.00 20.00 O ATOM 189 CB SER A 14 18.521 39.761 11.163 1.00 20.00 C ATOM 190 OG SER A 14 18.855 39.288 9.874 1.00 20.00 O ATOM 0 H SER A 14 17.639 40.240 13.347 1.00 20.00 H new ATOM 0 HA SER A 14 16.813 38.445 11.337 1.00 20.00 H new ATOM 0 HB2 SER A 14 17.962 40.693 11.080 1.00 20.00 H new ATOM 0 HB3 SER A 14 19.431 39.983 11.721 1.00 20.00 H new ATOM 0 HG SER A 14 19.385 39.965 9.404 1.00 20.00 H new ATOM 196 N ASP A 15 19.344 37.400 13.187 1.00 20.00 N ATOM 197 CA ASP A 15 20.236 36.282 13.485 1.00 20.00 C ATOM 198 C ASP A 15 19.640 35.345 14.546 1.00 20.00 C ATOM 199 O ASP A 15 19.642 34.131 14.344 1.00 20.00 O ATOM 200 CB ASP A 15 21.606 36.827 13.923 1.00 20.00 C ATOM 201 CG ASP A 15 22.677 35.736 13.907 1.00 20.00 C ATOM 202 OD1 ASP A 15 23.373 35.631 12.874 1.00 20.00 O ATOM 203 OD2 ASP A 15 22.790 35.008 14.916 1.00 20.00 O ATOM 0 H ASP A 15 19.431 38.169 13.851 1.00 20.00 H new ATOM 0 HA ASP A 15 20.362 35.685 12.582 1.00 20.00 H new ATOM 0 HB2 ASP A 15 21.904 37.640 13.260 1.00 20.00 H new ATOM 0 HB3 ASP A 15 21.528 37.246 14.926 1.00 20.00 H new ATOM 208 N CYS A 16 19.131 35.899 15.659 1.00 20.00 N ATOM 209 CA CYS A 16 18.569 35.165 16.785 1.00 20.00 C ATOM 210 C CYS A 16 17.340 34.352 16.347 1.00 20.00 C ATOM 211 O CYS A 16 16.350 34.956 15.920 1.00 20.00 O ATOM 212 CB CYS A 16 18.171 36.133 17.908 1.00 20.00 C ATOM 213 SG CYS A 16 17.614 35.278 19.409 1.00 20.00 S ATOM 0 H CYS A 16 19.103 36.909 15.796 1.00 20.00 H new ATOM 0 HA CYS A 16 19.331 34.479 17.155 1.00 20.00 H new ATOM 0 HB2 CYS A 16 19.022 36.769 18.152 1.00 20.00 H new ATOM 0 HB3 CYS A 16 17.376 36.788 17.552 1.00 20.00 H new ATOM 218 N PRO A 17 17.363 33.007 16.456 1.00 20.00 N ATOM 219 CA PRO A 17 16.215 32.170 16.130 1.00 20.00 C ATOM 220 C PRO A 17 15.102 32.360 17.172 1.00 20.00 C ATOM 221 O PRO A 17 15.350 32.800 18.295 1.00 20.00 O ATOM 222 CB PRO A 17 16.767 30.743 16.097 1.00 20.00 C ATOM 223 CG PRO A 17 17.881 30.777 17.140 1.00 20.00 C ATOM 224 CD PRO A 17 18.451 32.186 16.974 1.00 20.00 C ATOM 0 HA PRO A 17 15.755 32.424 15.175 1.00 20.00 H new ATOM 0 HB2 PRO A 17 16.002 30.009 16.349 1.00 20.00 H new ATOM 0 HB3 PRO A 17 17.147 30.481 15.110 1.00 20.00 H new ATOM 0 HG2 PRO A 17 17.499 30.611 18.147 1.00 20.00 H new ATOM 0 HG3 PRO A 17 18.634 30.011 16.954 1.00 20.00 H new ATOM 0 HD2 PRO A 17 18.812 32.574 17.926 1.00 20.00 H new ATOM 0 HD3 PRO A 17 19.298 32.185 16.288 1.00 20.00 H new ATOM 232 N GLN A 18 13.863 32.035 16.784 1.00 20.00 N ATOM 233 CA GLN A 18 12.645 32.391 17.522 1.00 20.00 C ATOM 234 C GLN A 18 12.405 31.487 18.743 1.00 20.00 C ATOM 235 O GLN A 18 11.556 31.789 19.580 1.00 20.00 O ATOM 236 CB GLN A 18 11.451 32.370 16.551 1.00 20.00 C ATOM 237 CG GLN A 18 11.518 33.533 15.544 1.00 20.00 C ATOM 238 CD GLN A 18 10.530 33.350 14.391 1.00 20.00 C ATOM 239 OE1 GLN A 18 9.321 33.296 14.595 1.00 20.00 O ATOM 240 NE2 GLN A 18 11.037 33.259 13.162 1.00 20.00 N ATOM 0 H GLN A 18 13.675 31.507 15.932 1.00 20.00 H new ATOM 0 HA GLN A 18 12.767 33.396 17.927 1.00 20.00 H new ATOM 0 HB2 GLN A 18 11.436 31.422 16.013 1.00 20.00 H new ATOM 0 HB3 GLN A 18 10.521 32.430 17.116 1.00 20.00 H new ATOM 0 HG2 GLN A 18 11.306 34.470 16.058 1.00 20.00 H new ATOM 0 HG3 GLN A 18 12.530 33.610 15.146 1.00 20.00 H new ATOM 0 HE21 GLN A 18 12.046 33.307 13.022 1.00 20.00 H new ATOM 0 HE22 GLN A 18 10.416 33.141 12.362 1.00 20.00 H new ATOM 249 N GLU A 19 13.179 30.404 18.859 1.00 20.00 N ATOM 250 CA GLU A 19 13.243 29.482 19.983 1.00 20.00 C ATOM 251 C GLU A 19 14.081 30.044 21.142 1.00 20.00 C ATOM 252 O GLU A 19 13.729 29.837 22.302 1.00 20.00 O ATOM 253 CB GLU A 19 13.823 28.138 19.503 1.00 20.00 C ATOM 254 CG GLU A 19 15.029 28.254 18.554 1.00 20.00 C ATOM 255 CD GLU A 19 15.618 26.882 18.233 1.00 20.00 C ATOM 256 OE1 GLU A 19 16.316 26.337 19.115 1.00 20.00 O ATOM 257 OE2 GLU A 19 15.368 26.386 17.112 1.00 20.00 O ATOM 0 H GLU A 19 13.821 30.135 18.113 1.00 20.00 H new ATOM 0 HA GLU A 19 12.232 29.336 20.363 1.00 20.00 H new ATOM 0 HB2 GLU A 19 14.120 27.555 20.375 1.00 20.00 H new ATOM 0 HB3 GLU A 19 13.035 27.578 18.999 1.00 20.00 H new ATOM 0 HG2 GLU A 19 14.722 28.745 17.631 1.00 20.00 H new ATOM 0 HG3 GLU A 19 15.794 28.883 19.010 1.00 20.00 H new ATOM 264 N ALA A 20 15.178 30.748 20.830 1.00 20.00 N ATOM 265 CA ALA A 20 16.113 31.329 21.791 1.00 20.00 C ATOM 266 C ALA A 20 15.634 32.660 22.399 1.00 20.00 C ATOM 267 O ALA A 20 16.305 33.182 23.286 1.00 20.00 O ATOM 268 CB ALA A 20 17.464 31.514 21.092 1.00 20.00 C ATOM 0 H ALA A 20 15.444 30.933 19.863 1.00 20.00 H new ATOM 0 HA ALA A 20 16.194 30.641 22.633 1.00 20.00 H new ATOM 0 HB1 ALA A 20 18.179 31.947 21.791 1.00 20.00 H new ATOM 0 HB2 ALA A 20 17.832 30.547 20.749 1.00 20.00 H new ATOM 0 HB3 ALA A 20 17.343 32.180 20.237 1.00 20.00 H new ATOM 274 N ARG A 21 14.498 33.214 21.943 1.00 20.00 N ATOM 275 CA ARG A 21 13.979 34.507 22.399 1.00 20.00 C ATOM 276 C ARG A 21 13.364 34.404 23.802 1.00 20.00 C ATOM 277 O ARG A 21 12.234 33.946 23.963 1.00 20.00 O ATOM 278 CB ARG A 21 12.993 35.088 21.376 1.00 20.00 C ATOM 279 CG ARG A 21 13.719 35.420 20.065 1.00 20.00 C ATOM 280 CD ARG A 21 12.791 36.058 19.034 1.00 20.00 C ATOM 281 NE ARG A 21 13.460 36.141 17.729 1.00 20.00 N ATOM 282 CZ ARG A 21 13.015 36.800 16.652 1.00 20.00 C ATOM 283 NH1 ARG A 21 11.914 37.556 16.686 1.00 20.00 N ATOM 284 NH2 ARG A 21 13.691 36.691 15.511 1.00 20.00 N ATOM 0 H ARG A 21 13.910 32.768 21.239 1.00 20.00 H new ATOM 0 HA ARG A 21 14.816 35.201 22.476 1.00 20.00 H new ATOM 0 HB2 ARG A 21 12.193 34.373 21.185 1.00 20.00 H new ATOM 0 HB3 ARG A 21 12.527 35.987 21.780 1.00 20.00 H new ATOM 0 HG2 ARG A 21 14.548 36.097 20.273 1.00 20.00 H new ATOM 0 HG3 ARG A 21 14.148 34.509 19.649 1.00 20.00 H new ATOM 0 HD2 ARG A 21 11.877 35.471 18.945 1.00 20.00 H new ATOM 0 HD3 ARG A 21 12.499 37.055 19.365 1.00 20.00 H new ATOM 0 HE ARG A 21 14.349 35.649 17.634 1.00 20.00 H new ATOM 0 HH11 ARG A 21 11.383 37.645 17.552 1.00 20.00 H new ATOM 0 HH12 ARG A 21 11.604 38.044 15.846 1.00 20.00 H new ATOM 0 HH21 ARG A 21 14.531 36.114 15.469 1.00 20.00 H new ATOM 0 HH22 ARG A 21 13.369 37.185 14.678 1.00 20.00 H new ATOM 298 N LEU A 22 14.134 34.840 24.808 1.00 20.00 N ATOM 299 CA LEU A 22 13.795 34.833 26.235 1.00 20.00 C ATOM 300 C LEU A 22 12.711 35.864 26.590 1.00 20.00 C ATOM 301 O LEU A 22 12.300 36.664 25.749 1.00 20.00 O ATOM 302 CB LEU A 22 15.077 35.116 27.041 1.00 20.00 C ATOM 303 CG LEU A 22 16.133 34.000 26.934 1.00 20.00 C ATOM 304 CD1 LEU A 22 17.496 34.531 27.380 1.00 20.00 C ATOM 305 CD2 LEU A 22 15.762 32.775 27.786 1.00 20.00 C ATOM 0 H LEU A 22 15.062 35.228 24.637 1.00 20.00 H new ATOM 0 HA LEU A 22 13.387 33.854 26.484 1.00 20.00 H new ATOM 0 HB2 LEU A 22 15.514 36.053 26.695 1.00 20.00 H new ATOM 0 HB3 LEU A 22 14.813 35.256 28.089 1.00 20.00 H new ATOM 0 HG LEU A 22 16.174 33.686 25.891 1.00 20.00 H new ATOM 0 HD11 LEU A 22 18.239 33.737 27.302 1.00 20.00 H new ATOM 0 HD12 LEU A 22 17.788 35.365 26.742 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.434 34.870 28.414 1.00 20.00 H new ATOM 0 HD21 LEU A 22 16.533 32.012 27.682 1.00 20.00 H new ATOM 0 HD22 LEU A 22 15.683 33.070 28.832 1.00 20.00 H new ATOM 0 HD23 LEU A 22 14.806 32.373 27.449 1.00 20.00 H new ATOM 317 N SER A 23 12.272 35.862 27.857 1.00 20.00 N ATOM 318 CA SER A 23 11.289 36.806 28.396 1.00 20.00 C ATOM 319 C SER A 23 11.919 37.962 29.193 1.00 20.00 C ATOM 320 O SER A 23 11.195 38.882 29.571 1.00 20.00 O ATOM 321 CB SER A 23 10.252 36.050 29.236 1.00 20.00 C ATOM 322 OG SER A 23 10.836 35.421 30.357 1.00 20.00 O ATOM 0 H SER A 23 12.599 35.188 28.549 1.00 20.00 H new ATOM 0 HA SER A 23 10.796 37.277 27.545 1.00 20.00 H new ATOM 0 HB2 SER A 23 9.481 36.744 29.571 1.00 20.00 H new ATOM 0 HB3 SER A 23 9.759 35.301 28.616 1.00 20.00 H new ATOM 0 HG SER A 23 10.143 34.952 30.867 1.00 20.00 H new ATOM 328 N TYR A 24 13.240 37.940 29.435 1.00 20.00 N ATOM 329 CA TYR A 24 13.974 39.014 30.103 1.00 20.00 C ATOM 330 C TYR A 24 14.125 40.252 29.203 1.00 20.00 C ATOM 331 O TYR A 24 13.809 40.217 28.012 1.00 20.00 O ATOM 332 CB TYR A 24 15.360 38.503 30.532 1.00 20.00 C ATOM 333 CG TYR A 24 15.352 37.210 31.328 1.00 20.00 C ATOM 334 CD1 TYR A 24 16.101 36.107 30.879 1.00 20.00 C ATOM 335 CD2 TYR A 24 14.595 37.107 32.510 1.00 20.00 C ATOM 336 CE1 TYR A 24 16.087 34.898 31.595 1.00 20.00 C ATOM 337 CE2 TYR A 24 14.586 35.908 33.243 1.00 20.00 C ATOM 338 CZ TYR A 24 15.332 34.796 32.788 1.00 20.00 C ATOM 339 OH TYR A 24 15.309 33.628 33.491 1.00 20.00 O ATOM 0 H TYR A 24 13.835 37.157 29.164 1.00 20.00 H new ATOM 0 HA TYR A 24 13.402 39.315 30.981 1.00 20.00 H new ATOM 0 HB2 TYR A 24 15.969 38.358 29.640 1.00 20.00 H new ATOM 0 HB3 TYR A 24 15.846 39.275 31.128 1.00 20.00 H new ATOM 0 HD1 TYR A 24 16.691 36.190 29.978 1.00 20.00 H new ATOM 0 HD2 TYR A 24 14.019 37.953 32.855 1.00 20.00 H new ATOM 0 HE1 TYR A 24 16.650 34.049 31.236 1.00 20.00 H new ATOM 0 HE2 TYR A 24 14.010 35.836 34.153 1.00 20.00 H new ATOM 0 HH TYR A 24 14.742 33.734 34.284 1.00 20.00 H new ATOM 349 N GLY A 25 14.653 41.336 29.787 1.00 20.00 N ATOM 350 CA GLY A 25 15.015 42.567 29.096 1.00 20.00 C ATOM 351 C GLY A 25 16.400 43.065 29.516 1.00 20.00 C ATOM 352 O GLY A 25 17.002 42.559 30.467 1.00 20.00 O ATOM 0 H GLY A 25 14.844 41.375 30.788 1.00 20.00 H new ATOM 0 HA2 GLY A 25 15.000 42.398 28.019 1.00 20.00 H new ATOM 0 HA3 GLY A 25 14.272 43.336 29.308 1.00 20.00 H new ATOM 356 N GLY A 26 16.886 44.077 28.787 1.00 20.00 N ATOM 357 CA GLY A 26 18.204 44.679 28.958 1.00 20.00 C ATOM 358 C GLY A 26 19.037 44.728 27.669 1.00 20.00 C ATOM 359 O GLY A 26 20.237 44.995 27.744 1.00 20.00 O ATOM 0 H GLY A 26 16.349 44.511 28.036 1.00 20.00 H new ATOM 0 HA2 GLY A 26 18.083 45.693 29.340 1.00 20.00 H new ATOM 0 HA3 GLY A 26 18.754 44.118 29.713 1.00 20.00 H new ATOM 363 N CYS A 27 18.421 44.472 26.504 1.00 20.00 N ATOM 364 CA CYS A 27 19.048 44.519 25.185 1.00 20.00 C ATOM 365 C CYS A 27 18.570 45.724 24.369 1.00 20.00 C ATOM 366 O CYS A 27 17.693 46.476 24.797 1.00 20.00 O ATOM 367 CB CYS A 27 18.756 43.209 24.445 1.00 20.00 C ATOM 368 SG CYS A 27 19.615 41.766 25.113 1.00 20.00 S ATOM 0 H CYS A 27 17.434 44.217 26.460 1.00 20.00 H new ATOM 0 HA CYS A 27 20.124 44.635 25.315 1.00 20.00 H new ATOM 0 HB2 CYS A 27 17.682 43.022 24.472 1.00 20.00 H new ATOM 0 HB3 CYS A 27 19.032 43.328 23.397 1.00 20.00 H new ATOM 373 N SER A 28 19.156 45.885 23.174 1.00 20.00 N ATOM 374 CA SER A 28 18.849 46.963 22.232 1.00 20.00 C ATOM 375 C SER A 28 18.122 46.443 20.983 1.00 20.00 C ATOM 376 O SER A 28 17.708 47.248 20.148 1.00 20.00 O ATOM 377 CB SER A 28 20.141 47.698 21.854 1.00 20.00 C ATOM 378 OG SER A 28 20.697 48.359 22.971 1.00 20.00 O ATOM 0 H SER A 28 19.876 45.250 22.830 1.00 20.00 H new ATOM 0 HA SER A 28 18.170 47.662 22.720 1.00 20.00 H new ATOM 0 HB2 SER A 28 20.863 46.987 21.452 1.00 20.00 H new ATOM 0 HB3 SER A 28 19.934 48.422 21.066 1.00 20.00 H new ATOM 0 HG SER A 28 21.520 48.818 22.703 1.00 20.00 H new ATOM 384 N THR A 29 17.941 45.118 20.871 1.00 20.00 N ATOM 385 CA THR A 29 17.218 44.437 19.802 1.00 20.00 C ATOM 386 C THR A 29 16.337 43.333 20.398 1.00 20.00 C ATOM 387 O THR A 29 15.116 43.490 20.423 1.00 20.00 O ATOM 388 CB THR A 29 18.176 43.905 18.716 1.00 20.00 C ATOM 389 OG1 THR A 29 19.278 43.219 19.280 1.00 20.00 O ATOM 390 CG2 THR A 29 18.710 45.028 17.819 1.00 20.00 C ATOM 0 H THR A 29 18.316 44.466 21.561 1.00 20.00 H new ATOM 0 HA THR A 29 16.568 45.155 19.301 1.00 20.00 H new ATOM 0 HB THR A 29 17.586 43.214 18.113 1.00 20.00 H new ATOM 0 HG1 THR A 29 19.192 42.259 19.101 1.00 20.00 H new ATOM 0 HG21 THR A 29 19.380 44.607 17.069 1.00 20.00 H new ATOM 0 HG22 THR A 29 17.876 45.525 17.323 1.00 20.00 H new ATOM 0 HG23 THR A 29 19.254 45.751 18.427 1.00 20.00 H new ATOM 398 N VAL A 30 16.938 42.229 20.870 1.00 20.00 N ATOM 399 CA VAL A 30 16.237 41.087 21.464 1.00 20.00 C ATOM 400 C VAL A 30 17.207 40.255 22.323 1.00 20.00 C ATOM 401 O VAL A 30 18.372 40.089 21.964 1.00 20.00 O ATOM 402 CB VAL A 30 15.535 40.257 20.353 1.00 20.00 C ATOM 403 CG1 VAL A 30 16.484 39.580 19.352 1.00 20.00 C ATOM 404 CG2 VAL A 30 14.591 39.203 20.937 1.00 20.00 C ATOM 0 H VAL A 30 17.950 42.106 20.847 1.00 20.00 H new ATOM 0 HA VAL A 30 15.453 41.439 22.135 1.00 20.00 H new ATOM 0 HB VAL A 30 14.968 41.003 19.796 1.00 20.00 H new ATOM 0 HG11 VAL A 30 15.901 39.025 18.616 1.00 20.00 H new ATOM 0 HG12 VAL A 30 17.080 40.339 18.845 1.00 20.00 H new ATOM 0 HG13 VAL A 30 17.145 38.895 19.883 1.00 20.00 H new ATOM 0 HG21 VAL A 30 14.121 38.646 20.126 1.00 20.00 H new ATOM 0 HG22 VAL A 30 15.157 38.518 21.568 1.00 20.00 H new ATOM 0 HG23 VAL A 30 13.822 39.694 21.533 1.00 20.00 H new ATOM 414 N CYS A 31 16.718 39.718 23.452 1.00 20.00 N ATOM 415 CA CYS A 31 17.440 38.769 24.301 1.00 20.00 C ATOM 416 C CYS A 31 17.495 37.395 23.631 1.00 20.00 C ATOM 417 O CYS A 31 16.458 36.868 23.227 1.00 20.00 O ATOM 418 CB CYS A 31 16.751 38.661 25.668 1.00 20.00 C ATOM 419 SG CYS A 31 17.205 39.985 26.809 1.00 20.00 S ATOM 0 H CYS A 31 15.787 39.940 23.804 1.00 20.00 H new ATOM 0 HA CYS A 31 18.459 39.129 24.444 1.00 20.00 H new ATOM 0 HB2 CYS A 31 15.671 38.671 25.523 1.00 20.00 H new ATOM 0 HB3 CYS A 31 17.003 37.701 26.119 1.00 20.00 H new ATOM 424 N CYS A 32 18.702 36.817 23.545 1.00 20.00 N ATOM 425 CA CYS A 32 18.970 35.569 22.841 1.00 20.00 C ATOM 426 C CYS A 32 19.779 34.608 23.720 1.00 20.00 C ATOM 427 O CYS A 32 20.934 34.882 24.047 1.00 20.00 O ATOM 428 CB CYS A 32 19.681 35.867 21.514 1.00 20.00 C ATOM 429 SG CYS A 32 19.347 34.613 20.254 1.00 20.00 S ATOM 0 H CYS A 32 19.534 37.220 23.976 1.00 20.00 H new ATOM 0 HA CYS A 32 18.025 35.073 22.617 1.00 20.00 H new ATOM 0 HB2 CYS A 32 19.362 36.842 21.145 1.00 20.00 H new ATOM 0 HB3 CYS A 32 20.756 35.927 21.687 1.00 20.00 H new ATOM 434 N ASP A 33 19.149 33.489 24.100 1.00 20.00 N ATOM 435 CA ASP A 33 19.696 32.405 24.911 1.00 20.00 C ATOM 436 C ASP A 33 20.865 31.719 24.192 1.00 20.00 C ATOM 437 O ASP A 33 20.667 30.997 23.214 1.00 20.00 O ATOM 438 CB ASP A 33 18.562 31.413 25.227 1.00 20.00 C ATOM 439 CG ASP A 33 18.919 30.349 26.270 1.00 20.00 C ATOM 440 OD1 ASP A 33 17.965 29.787 26.856 1.00 20.00 O ATOM 441 OD2 ASP A 33 20.121 30.079 26.464 1.00 20.00 O ATOM 0 H ASP A 33 18.182 33.310 23.829 1.00 20.00 H new ATOM 0 HA ASP A 33 20.094 32.803 25.844 1.00 20.00 H new ATOM 0 HB2 ASP A 33 17.695 31.972 25.579 1.00 20.00 H new ATOM 0 HB3 ASP A 33 18.266 30.914 24.304 1.00 20.00 H new ATOM 446 N LEU A 34 22.084 31.953 24.694 1.00 20.00 N ATOM 447 CA LEU A 34 23.327 31.427 24.140 1.00 20.00 C ATOM 448 C LEU A 34 23.639 29.992 24.601 1.00 20.00 C ATOM 449 O LEU A 34 24.438 29.322 23.946 1.00 20.00 O ATOM 450 CB LEU A 34 24.497 32.353 24.522 1.00 20.00 C ATOM 451 CG LEU A 34 24.299 33.847 24.193 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.554 34.623 24.615 1.00 20.00 C ATOM 453 CD2 LEU A 34 24.012 34.111 22.708 1.00 20.00 C ATOM 0 H LEU A 34 22.231 32.531 25.521 1.00 20.00 H new ATOM 0 HA LEU A 34 23.198 31.393 23.058 1.00 20.00 H new ATOM 0 HB2 LEU A 34 24.679 32.256 25.592 1.00 20.00 H new ATOM 0 HB3 LEU A 34 25.395 32.003 24.013 1.00 20.00 H new ATOM 0 HG LEU A 34 23.422 34.183 24.746 1.00 20.00 H new ATOM 0 HD11 LEU A 34 25.422 35.680 24.386 1.00 20.00 H new ATOM 0 HD12 LEU A 34 25.714 34.501 25.686 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.418 34.239 24.073 1.00 20.00 H new ATOM 0 HD21 LEU A 34 23.883 35.181 22.547 1.00 20.00 H new ATOM 0 HD22 LEU A 34 24.847 33.751 22.107 1.00 20.00 H new ATOM 0 HD23 LEU A 34 23.102 33.588 22.415 1.00 20.00 H new ATOM 465 N SER A 35 23.031 29.509 25.699 1.00 20.00 N ATOM 466 CA SER A 35 23.315 28.182 26.261 1.00 20.00 C ATOM 467 C SER A 35 22.626 27.034 25.508 1.00 20.00 C ATOM 468 O SER A 35 22.997 25.880 25.720 1.00 20.00 O ATOM 469 CB SER A 35 22.987 28.138 27.759 1.00 20.00 C ATOM 470 OG SER A 35 21.602 28.132 28.022 1.00 20.00 O ATOM 0 H SER A 35 22.327 30.031 26.221 1.00 20.00 H new ATOM 0 HA SER A 35 24.385 28.023 26.131 1.00 20.00 H new ATOM 0 HB2 SER A 35 23.438 27.248 28.198 1.00 20.00 H new ATOM 0 HB3 SER A 35 23.440 28.999 28.250 1.00 20.00 H new ATOM 0 HG SER A 35 21.159 28.798 27.457 1.00 20.00 H new ATOM 476 N LYS A 36 21.674 27.349 24.616 1.00 20.00 N ATOM 477 CA LYS A 36 21.027 26.422 23.679 1.00 20.00 C ATOM 478 C LYS A 36 21.446 26.661 22.219 1.00 20.00 C ATOM 479 O LYS A 36 20.924 26.009 21.315 1.00 20.00 O ATOM 480 CB LYS A 36 19.496 26.459 23.865 1.00 20.00 C ATOM 481 CG LYS A 36 18.876 27.844 23.590 1.00 20.00 C ATOM 482 CD LYS A 36 17.347 27.887 23.774 1.00 20.00 C ATOM 483 CE LYS A 36 16.548 27.550 22.509 1.00 20.00 C ATOM 484 NZ LYS A 36 16.616 26.122 22.151 1.00 20.00 N ATOM 0 H LYS A 36 21.319 28.301 24.525 1.00 20.00 H new ATOM 0 HA LYS A 36 21.374 25.416 23.916 1.00 20.00 H new ATOM 0 HB2 LYS A 36 19.039 25.727 23.199 1.00 20.00 H new ATOM 0 HB3 LYS A 36 19.254 26.157 24.884 1.00 20.00 H new ATOM 0 HG2 LYS A 36 19.334 28.576 24.256 1.00 20.00 H new ATOM 0 HG3 LYS A 36 19.119 28.145 22.571 1.00 20.00 H new ATOM 0 HD2 LYS A 36 17.068 27.188 24.562 1.00 20.00 H new ATOM 0 HD3 LYS A 36 17.062 28.882 24.115 1.00 20.00 H new ATOM 0 HE2 LYS A 36 15.506 27.833 22.658 1.00 20.00 H new ATOM 0 HE3 LYS A 36 16.925 28.146 21.678 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 15.822 25.883 21.524 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 17.513 25.929 21.662 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 16.561 25.545 23.014 1.00 20.00 H new ATOM 498 N LEU A 37 22.396 27.579 22.007 1.00 20.00 N ATOM 499 CA LEU A 37 22.881 28.035 20.707 1.00 20.00 C ATOM 500 C LEU A 37 24.291 27.500 20.435 1.00 20.00 C ATOM 501 O LEU A 37 24.572 27.055 19.322 1.00 20.00 O ATOM 502 CB LEU A 37 22.857 29.574 20.715 1.00 20.00 C ATOM 503 CG LEU A 37 23.028 30.256 19.343 1.00 20.00 C ATOM 504 CD1 LEU A 37 21.867 29.949 18.385 1.00 20.00 C ATOM 505 CD2 LEU A 37 23.113 31.774 19.555 1.00 20.00 C ATOM 0 H LEU A 37 22.869 28.046 22.781 1.00 20.00 H new ATOM 0 HA LEU A 37 22.243 27.658 19.907 1.00 20.00 H new ATOM 0 HB2 LEU A 37 21.911 29.901 21.147 1.00 20.00 H new ATOM 0 HB3 LEU A 37 23.648 29.927 21.376 1.00 20.00 H new ATOM 0 HG LEU A 37 23.939 29.867 18.889 1.00 20.00 H new ATOM 0 HD11 LEU A 37 22.037 30.453 17.434 1.00 20.00 H new ATOM 0 HD12 LEU A 37 21.806 28.873 18.220 1.00 20.00 H new ATOM 0 HD13 LEU A 37 20.932 30.302 18.821 1.00 20.00 H new ATOM 0 HD21 LEU A 37 23.234 32.270 18.592 1.00 20.00 H new ATOM 0 HD22 LEU A 37 22.198 32.127 20.032 1.00 20.00 H new ATOM 0 HD23 LEU A 37 23.967 32.005 20.192 1.00 20.00 H new ATOM 517 N THR A 38 25.157 27.531 21.458 1.00 20.00 N ATOM 518 CA THR A 38 26.544 27.068 21.412 1.00 20.00 C ATOM 519 C THR A 38 27.028 26.598 22.800 1.00 20.00 C ATOM 520 O THR A 38 26.319 26.747 23.797 1.00 20.00 O ATOM 521 CB THR A 38 27.417 28.200 20.825 1.00 20.00 C ATOM 522 OG1 THR A 38 28.676 27.699 20.434 1.00 20.00 O ATOM 523 CG2 THR A 38 27.624 29.383 21.781 1.00 20.00 C ATOM 0 H THR A 38 24.896 27.894 22.375 1.00 20.00 H new ATOM 0 HA THR A 38 26.626 26.194 20.765 1.00 20.00 H new ATOM 0 HB THR A 38 26.867 28.577 19.963 1.00 20.00 H new ATOM 0 HG1 THR A 38 29.217 28.427 20.063 1.00 20.00 H new ATOM 0 HG21 THR A 38 28.246 30.136 21.298 1.00 20.00 H new ATOM 0 HG22 THR A 38 26.658 29.819 22.035 1.00 20.00 H new ATOM 0 HG23 THR A 38 28.115 29.035 22.690 1.00 20.00 H new ATOM 531 N GLY A 39 28.252 26.049 22.858 1.00 20.00 N ATOM 532 CA GLY A 39 28.998 25.748 24.077 1.00 20.00 C ATOM 533 C GLY A 39 28.981 24.269 24.473 1.00 20.00 C ATOM 534 O GLY A 39 28.228 23.470 23.917 1.00 20.00 O ATOM 0 H GLY A 39 28.766 25.794 22.015 1.00 20.00 H new ATOM 0 HA2 GLY A 39 30.032 26.065 23.945 1.00 20.00 H new ATOM 0 HA3 GLY A 39 28.586 26.337 24.897 1.00 20.00 H new ATOM 538 N CYS A 40 29.814 23.921 25.465 1.00 20.00 N ATOM 539 CA CYS A 40 29.871 22.596 26.079 1.00 20.00 C ATOM 540 C CYS A 40 28.634 22.343 26.950 1.00 20.00 C ATOM 541 O CYS A 40 27.943 21.346 26.744 1.00 20.00 O ATOM 542 CB CYS A 40 31.151 22.467 26.918 1.00 20.00 C ATOM 543 SG CYS A 40 32.648 22.086 25.977 1.00 20.00 S ATOM 0 H CYS A 40 30.483 24.575 25.870 1.00 20.00 H new ATOM 0 HA CYS A 40 29.885 21.846 25.288 1.00 20.00 H new ATOM 0 HB2 CYS A 40 31.308 23.400 27.459 1.00 20.00 H new ATOM 0 HB3 CYS A 40 31.001 21.687 27.664 1.00 20.00 H new ATOM 548 N LYS A 41 28.363 23.247 27.907 1.00 20.00 N ATOM 549 CA LYS A 41 27.247 23.251 28.853 1.00 20.00 C ATOM 550 C LYS A 41 26.995 21.918 29.586 1.00 20.00 C ATOM 551 O LYS A 41 25.863 21.610 29.961 1.00 20.00 O ATOM 552 CB LYS A 41 26.003 23.836 28.162 1.00 20.00 C ATOM 553 CG LYS A 41 25.235 24.780 29.097 1.00 20.00 C ATOM 554 CD LYS A 41 25.910 26.158 29.208 1.00 20.00 C ATOM 555 CE LYS A 41 25.236 27.009 30.288 1.00 20.00 C ATOM 556 NZ LYS A 41 25.768 28.384 30.307 1.00 20.00 N ATOM 0 H LYS A 41 28.970 24.055 28.045 1.00 20.00 H new ATOM 0 HA LYS A 41 27.526 23.902 29.682 1.00 20.00 H new ATOM 0 HB2 LYS A 41 26.304 24.376 27.264 1.00 20.00 H new ATOM 0 HB3 LYS A 41 25.348 23.026 27.842 1.00 20.00 H new ATOM 0 HG2 LYS A 41 24.216 24.904 28.730 1.00 20.00 H new ATOM 0 HG3 LYS A 41 25.164 24.330 30.087 1.00 20.00 H new ATOM 0 HD2 LYS A 41 26.967 26.032 29.445 1.00 20.00 H new ATOM 0 HD3 LYS A 41 25.857 26.672 28.248 1.00 20.00 H new ATOM 0 HE2 LYS A 41 24.161 27.037 30.112 1.00 20.00 H new ATOM 0 HE3 LYS A 41 25.387 26.546 31.263 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 25.289 28.931 31.050 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 26.790 28.358 30.500 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 25.601 28.834 29.384 1.00 20.00 H new ATOM 570 N GLY A 42 28.056 21.129 29.784 1.00 20.00 N ATOM 571 CA GLY A 42 28.046 19.824 30.430 1.00 20.00 C ATOM 572 C GLY A 42 28.135 18.717 29.383 1.00 20.00 C ATOM 573 O GLY A 42 29.181 18.558 28.761 1.00 20.00 O ATOM 0 H GLY A 42 28.990 21.403 29.480 1.00 20.00 H new ATOM 0 HA2 GLY A 42 28.883 19.747 31.123 1.00 20.00 H new ATOM 0 HA3 GLY A 42 27.135 19.707 31.017 1.00 20.00 H new ATOM 577 N LYS A 43 27.043 17.956 29.196 1.00 20.00 N ATOM 578 CA LYS A 43 26.860 16.823 28.302 1.00 20.00 C ATOM 579 C LYS A 43 27.722 15.598 28.643 1.00 20.00 C ATOM 580 O LYS A 43 27.756 14.631 27.882 1.00 20.00 O ATOM 581 CB LYS A 43 27.059 17.326 26.876 1.00 20.00 C ATOM 582 CG LYS A 43 25.973 16.796 25.941 1.00 20.00 C ATOM 583 CD LYS A 43 26.319 17.075 24.471 1.00 20.00 C ATOM 584 CE LYS A 43 25.195 16.658 23.518 1.00 20.00 C ATOM 585 NZ LYS A 43 25.006 15.196 23.480 1.00 20.00 N ATOM 0 H LYS A 43 26.190 18.146 29.722 1.00 20.00 H new ATOM 0 HA LYS A 43 25.848 16.438 28.424 1.00 20.00 H new ATOM 0 HB2 LYS A 43 27.048 18.416 26.868 1.00 20.00 H new ATOM 0 HB3 LYS A 43 28.038 17.015 26.512 1.00 20.00 H new ATOM 0 HG2 LYS A 43 25.852 15.723 26.091 1.00 20.00 H new ATOM 0 HG3 LYS A 43 25.019 17.262 26.187 1.00 20.00 H new ATOM 0 HD2 LYS A 43 26.524 18.138 24.344 1.00 20.00 H new ATOM 0 HD3 LYS A 43 27.232 16.541 24.208 1.00 20.00 H new ATOM 0 HE2 LYS A 43 24.265 17.134 23.827 1.00 20.00 H new ATOM 0 HE3 LYS A 43 25.420 17.019 22.514 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 24.235 14.963 22.822 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 25.884 14.741 23.160 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 24.765 14.852 24.431 1.00 20.00 H new ATOM 599 N GLY A 44 28.419 15.666 29.782 1.00 20.00 N ATOM 600 CA GLY A 44 29.425 14.714 30.236 1.00 20.00 C ATOM 601 C GLY A 44 30.860 15.227 30.051 1.00 20.00 C ATOM 602 O GLY A 44 31.802 14.499 30.362 1.00 20.00 O ATOM 0 H GLY A 44 28.285 16.430 30.444 1.00 20.00 H new ATOM 0 HA2 GLY A 44 29.257 14.491 31.290 1.00 20.00 H new ATOM 0 HA3 GLY A 44 29.306 13.779 29.689 1.00 20.00 H new ATOM 606 N GLY A 45 31.029 16.461 29.550 1.00 20.00 N ATOM 607 CA GLY A 45 32.310 17.107 29.294 1.00 20.00 C ATOM 608 C GLY A 45 33.100 17.453 30.555 1.00 20.00 C ATOM 609 O GLY A 45 32.587 17.355 31.672 1.00 20.00 O ATOM 0 H GLY A 45 30.237 17.055 29.304 1.00 20.00 H new ATOM 0 HA2 GLY A 45 32.916 16.452 28.668 1.00 20.00 H new ATOM 0 HA3 GLY A 45 32.136 18.021 28.725 1.00 20.00 H new ATOM 613 N GLU A 46 34.366 17.849 30.354 1.00 20.00 N ATOM 614 CA GLU A 46 35.338 18.008 31.441 1.00 20.00 C ATOM 615 C GLU A 46 36.456 19.031 31.142 1.00 20.00 C ATOM 616 O GLU A 46 36.478 19.641 30.073 1.00 20.00 O ATOM 617 CB GLU A 46 35.884 16.609 31.779 1.00 20.00 C ATOM 618 CG GLU A 46 36.749 15.959 30.685 1.00 20.00 C ATOM 619 CD GLU A 46 37.072 14.497 31.015 1.00 20.00 C ATOM 620 OE1 GLU A 46 36.838 13.639 30.135 1.00 20.00 O ATOM 621 OE2 GLU A 46 37.567 14.246 32.137 1.00 20.00 O ATOM 0 H GLU A 46 34.743 18.068 29.432 1.00 20.00 H new ATOM 0 HA GLU A 46 34.834 18.438 32.307 1.00 20.00 H new ATOM 0 HB2 GLU A 46 36.474 16.678 32.693 1.00 20.00 H new ATOM 0 HB3 GLU A 46 35.042 15.950 31.993 1.00 20.00 H new ATOM 0 HG2 GLU A 46 36.227 16.010 29.729 1.00 20.00 H new ATOM 0 HG3 GLU A 46 37.676 16.521 30.572 1.00 20.00 H new ATOM 628 N CYS A 47 37.382 19.205 32.104 1.00 20.00 N ATOM 629 CA CYS A 47 38.567 20.065 32.040 1.00 20.00 C ATOM 630 C CYS A 47 39.841 19.205 32.045 1.00 20.00 C ATOM 631 O CYS A 47 40.477 19.016 33.083 1.00 20.00 O ATOM 632 CB CYS A 47 38.569 21.068 33.208 1.00 20.00 C ATOM 633 SG CYS A 47 37.364 22.419 33.095 1.00 20.00 S ATOM 0 H CYS A 47 37.314 18.718 32.997 1.00 20.00 H new ATOM 0 HA CYS A 47 38.542 20.635 31.111 1.00 20.00 H new ATOM 0 HB2 CYS A 47 38.386 20.520 34.132 1.00 20.00 H new ATOM 0 HB3 CYS A 47 39.566 21.502 33.287 1.00 20.00 H new ATOM 638 N ASN A 48 40.212 18.691 30.865 1.00 20.00 N ATOM 639 CA ASN A 48 41.462 17.966 30.614 1.00 20.00 C ATOM 640 C ASN A 48 42.611 18.930 30.261 1.00 20.00 C ATOM 641 O ASN A 48 42.357 20.098 29.962 1.00 20.00 O ATOM 642 CB ASN A 48 41.201 16.944 29.489 1.00 20.00 C ATOM 643 CG ASN A 48 40.801 15.556 29.995 1.00 20.00 C ATOM 644 OD1 ASN A 48 41.088 14.557 29.342 1.00 20.00 O ATOM 645 ND2 ASN A 48 40.131 15.470 31.142 1.00 20.00 N ATOM 0 H ASN A 48 39.630 18.772 30.031 1.00 20.00 H new ATOM 0 HA ASN A 48 41.778 17.442 31.516 1.00 20.00 H new ATOM 0 HB2 ASN A 48 40.412 17.325 28.841 1.00 20.00 H new ATOM 0 HB3 ASN A 48 42.099 16.853 28.878 1.00 20.00 H new ATOM 0 HD21 ASN A 48 39.844 14.558 31.498 1.00 20.00 H new ATOM 0 HD22 ASN A 48 39.905 16.316 31.665 1.00 20.00 H new ATOM 652 N PRO A 49 43.876 18.456 30.287 1.00 20.00 N ATOM 653 CA PRO A 49 45.058 19.279 30.044 1.00 20.00 C ATOM 654 C PRO A 49 45.150 19.774 28.596 1.00 20.00 C ATOM 655 O PRO A 49 44.724 19.093 27.665 1.00 20.00 O ATOM 656 CB PRO A 49 46.261 18.413 30.429 1.00 20.00 C ATOM 657 CG PRO A 49 45.745 16.991 30.246 1.00 20.00 C ATOM 658 CD PRO A 49 44.286 17.111 30.673 1.00 20.00 C ATOM 0 HA PRO A 49 45.017 20.191 30.640 1.00 20.00 H new ATOM 0 HB2 PRO A 49 47.121 18.614 29.791 1.00 20.00 H new ATOM 0 HB3 PRO A 49 46.576 18.597 31.456 1.00 20.00 H new ATOM 0 HG2 PRO A 49 45.839 16.655 29.213 1.00 20.00 H new ATOM 0 HG3 PRO A 49 46.291 16.279 30.864 1.00 20.00 H new ATOM 0 HD2 PRO A 49 43.670 16.357 30.182 1.00 20.00 H new ATOM 0 HD3 PRO A 49 44.178 16.961 31.747 1.00 20.00 H new ATOM 666 N LEU A 50 45.781 20.943 28.419 1.00 20.00 N ATOM 667 CA LEU A 50 46.134 21.514 27.117 1.00 20.00 C ATOM 668 C LEU A 50 47.147 20.648 26.353 1.00 20.00 C ATOM 669 O LEU A 50 47.247 20.764 25.132 1.00 20.00 O ATOM 670 CB LEU A 50 46.721 22.923 27.319 1.00 20.00 C ATOM 671 CG LEU A 50 45.676 23.996 27.677 1.00 20.00 C ATOM 672 CD1 LEU A 50 46.381 25.282 28.125 1.00 20.00 C ATOM 673 CD2 LEU A 50 44.783 24.310 26.468 1.00 20.00 C ATOM 0 H LEU A 50 46.067 21.532 29.201 1.00 20.00 H new ATOM 0 HA LEU A 50 45.222 21.558 26.521 1.00 20.00 H new ATOM 0 HB2 LEU A 50 47.470 22.883 28.110 1.00 20.00 H new ATOM 0 HB3 LEU A 50 47.237 23.224 26.407 1.00 20.00 H new ATOM 0 HG LEU A 50 45.056 23.611 28.487 1.00 20.00 H new ATOM 0 HD11 LEU A 50 45.636 26.037 28.377 1.00 20.00 H new ATOM 0 HD12 LEU A 50 46.996 25.074 29.000 1.00 20.00 H new ATOM 0 HD13 LEU A 50 47.013 25.651 27.317 1.00 20.00 H new ATOM 0 HD21 LEU A 50 44.052 25.070 26.743 1.00 20.00 H new ATOM 0 HD22 LEU A 50 45.398 24.678 25.647 1.00 20.00 H new ATOM 0 HD23 LEU A 50 44.264 23.404 26.154 1.00 20.00 H new ATOM 685 N ASP A 51 47.862 19.763 27.061 1.00 20.00 N ATOM 686 CA ASP A 51 48.786 18.782 26.506 1.00 20.00 C ATOM 687 C ASP A 51 48.056 17.706 25.684 1.00 20.00 C ATOM 688 O ASP A 51 48.668 17.117 24.792 1.00 20.00 O ATOM 689 CB ASP A 51 49.568 18.130 27.658 1.00 20.00 C ATOM 690 CG ASP A 51 50.352 19.152 28.485 1.00 20.00 C ATOM 691 OD1 ASP A 51 49.785 19.648 29.486 1.00 20.00 O ATOM 692 OD2 ASP A 51 51.505 19.445 28.101 1.00 20.00 O ATOM 0 H ASP A 51 47.805 19.715 28.078 1.00 20.00 H new ATOM 0 HA ASP A 51 49.469 19.295 25.828 1.00 20.00 H new ATOM 0 HB2 ASP A 51 48.874 17.597 28.308 1.00 20.00 H new ATOM 0 HB3 ASP A 51 50.258 17.390 27.252 1.00 20.00 H new ATOM 697 N ARG A 52 46.760 17.472 25.958 1.00 20.00 N ATOM 698 CA ARG A 52 45.916 16.549 25.209 1.00 20.00 C ATOM 699 C ARG A 52 45.333 17.246 23.975 1.00 20.00 C ATOM 700 O ARG A 52 44.749 18.324 24.083 1.00 20.00 O ATOM 701 CB ARG A 52 44.805 15.977 26.110 1.00 20.00 C ATOM 702 CG ARG A 52 44.738 14.444 26.057 1.00 20.00 C ATOM 703 CD ARG A 52 45.942 13.805 26.761 1.00 20.00 C ATOM 704 NE ARG A 52 45.892 12.341 26.689 1.00 20.00 N ATOM 705 CZ ARG A 52 46.725 11.499 27.319 1.00 20.00 C ATOM 706 NH1 ARG A 52 47.693 11.942 28.124 1.00 20.00 N ATOM 707 NH2 ARG A 52 46.597 10.186 27.135 1.00 20.00 N ATOM 0 H ARG A 52 46.269 17.933 26.724 1.00 20.00 H new ATOM 0 HA ARG A 52 46.526 15.713 24.867 1.00 20.00 H new ATOM 0 HB2 ARG A 52 44.976 16.295 27.139 1.00 20.00 H new ATOM 0 HB3 ARG A 52 43.844 16.391 25.804 1.00 20.00 H new ATOM 0 HG2 ARG A 52 43.816 14.102 26.528 1.00 20.00 H new ATOM 0 HG3 ARG A 52 44.706 14.116 25.018 1.00 20.00 H new ATOM 0 HD2 ARG A 52 46.864 14.162 26.302 1.00 20.00 H new ATOM 0 HD3 ARG A 52 45.963 14.118 27.805 1.00 20.00 H new ATOM 0 HE ARG A 52 45.161 11.927 26.110 1.00 20.00 H new ATOM 0 HH11 ARG A 52 47.814 12.944 28.273 1.00 20.00 H new ATOM 0 HH12 ARG A 52 48.312 11.279 28.590 1.00 20.00 H new ATOM 0 HH21 ARG A 52 45.869 9.826 26.518 1.00 20.00 H new ATOM 0 HH22 ARG A 52 47.227 9.540 27.611 1.00 20.00 H new ATOM 721 N GLN A 53 45.501 16.613 22.809 1.00 20.00 N ATOM 722 CA GLN A 53 45.108 17.123 21.497 1.00 20.00 C ATOM 723 C GLN A 53 43.581 17.200 21.364 1.00 20.00 C ATOM 724 O GLN A 53 42.905 16.176 21.256 1.00 20.00 O ATOM 725 CB GLN A 53 45.720 16.239 20.401 1.00 20.00 C ATOM 726 CG GLN A 53 47.250 16.378 20.331 1.00 20.00 C ATOM 727 CD GLN A 53 47.875 15.312 19.433 1.00 20.00 C ATOM 728 OE1 GLN A 53 48.126 15.547 18.255 1.00 20.00 O ATOM 729 NE2 GLN A 53 48.135 14.128 19.984 1.00 20.00 N ATOM 0 H GLN A 53 45.934 15.691 22.755 1.00 20.00 H new ATOM 0 HA GLN A 53 45.488 18.138 21.384 1.00 20.00 H new ATOM 0 HB2 GLN A 53 45.460 15.197 20.589 1.00 20.00 H new ATOM 0 HB3 GLN A 53 45.288 16.507 19.437 1.00 20.00 H new ATOM 0 HG2 GLN A 53 47.508 17.368 19.955 1.00 20.00 H new ATOM 0 HG3 GLN A 53 47.669 16.299 21.334 1.00 20.00 H new ATOM 0 HE21 GLN A 53 47.915 13.963 20.966 1.00 20.00 H new ATOM 0 HE22 GLN A 53 48.554 13.386 19.424 1.00 20.00 H new ATOM 738 N CYS A 54 43.053 18.431 21.389 1.00 20.00 N ATOM 739 CA CYS A 54 41.637 18.769 21.239 1.00 20.00 C ATOM 740 C CYS A 54 41.498 20.229 20.753 1.00 20.00 C ATOM 741 O CYS A 54 42.486 20.862 20.374 1.00 20.00 O ATOM 742 CB CYS A 54 40.924 18.520 22.581 1.00 20.00 C ATOM 743 SG CYS A 54 39.106 18.414 22.538 1.00 20.00 S ATOM 0 H CYS A 54 43.635 19.258 21.521 1.00 20.00 H new ATOM 0 HA CYS A 54 41.164 18.139 20.486 1.00 20.00 H new ATOM 0 HB2 CYS A 54 41.309 17.591 23.003 1.00 20.00 H new ATOM 0 HB3 CYS A 54 41.201 19.321 23.267 1.00 20.00 H new ATOM 748 N LYS A 55 40.267 20.757 20.758 1.00 20.00 N ATOM 749 CA LYS A 55 39.912 22.140 20.435 1.00 20.00 C ATOM 750 C LYS A 55 39.226 22.802 21.641 1.00 20.00 C ATOM 751 O LYS A 55 38.978 22.154 22.658 1.00 20.00 O ATOM 752 CB LYS A 55 39.035 22.145 19.164 1.00 20.00 C ATOM 753 CG LYS A 55 39.206 23.391 18.274 1.00 20.00 C ATOM 754 CD LYS A 55 40.290 23.245 17.195 1.00 20.00 C ATOM 755 CE LYS A 55 41.697 23.024 17.763 1.00 20.00 C ATOM 756 NZ LYS A 55 42.701 22.933 16.686 1.00 20.00 N ATOM 0 H LYS A 55 39.449 20.198 21.001 1.00 20.00 H new ATOM 0 HA LYS A 55 40.804 22.730 20.225 1.00 20.00 H new ATOM 0 HB2 LYS A 55 39.267 21.258 18.574 1.00 20.00 H new ATOM 0 HB3 LYS A 55 37.989 22.066 19.460 1.00 20.00 H new ATOM 0 HG2 LYS A 55 38.255 23.613 17.791 1.00 20.00 H new ATOM 0 HG3 LYS A 55 39.449 24.245 18.906 1.00 20.00 H new ATOM 0 HD2 LYS A 55 40.034 22.408 16.546 1.00 20.00 H new ATOM 0 HD3 LYS A 55 40.295 24.140 16.573 1.00 20.00 H new ATOM 0 HE2 LYS A 55 41.954 23.844 18.434 1.00 20.00 H new ATOM 0 HE3 LYS A 55 41.713 22.110 18.356 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 43.643 22.784 17.101 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 42.468 22.136 16.060 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 42.701 23.816 16.136 1.00 20.00 H new ATOM 770 N GLU A 56 38.941 24.105 21.527 1.00 20.00 N ATOM 771 CA GLU A 56 38.318 24.934 22.563 1.00 20.00 C ATOM 772 C GLU A 56 37.229 25.845 21.983 1.00 20.00 C ATOM 773 O GLU A 56 37.187 26.096 20.777 1.00 20.00 O ATOM 774 CB GLU A 56 39.397 25.769 23.271 1.00 20.00 C ATOM 775 CG GLU A 56 40.248 24.915 24.216 1.00 20.00 C ATOM 776 CD GLU A 56 41.392 25.721 24.825 1.00 20.00 C ATOM 777 OE1 GLU A 56 41.119 26.510 25.756 1.00 20.00 O ATOM 778 OE2 GLU A 56 42.532 25.548 24.342 1.00 20.00 O ATOM 0 H GLU A 56 39.147 24.630 20.677 1.00 20.00 H new ATOM 0 HA GLU A 56 37.836 24.274 23.284 1.00 20.00 H new ATOM 0 HB2 GLU A 56 40.040 26.238 22.527 1.00 20.00 H new ATOM 0 HB3 GLU A 56 38.923 26.573 23.835 1.00 20.00 H new ATOM 0 HG2 GLU A 56 39.619 24.516 25.012 1.00 20.00 H new ATOM 0 HG3 GLU A 56 40.653 24.062 23.671 1.00 20.00 H new ATOM 785 N LEU A 57 36.352 26.342 22.870 1.00 20.00 N ATOM 786 CA LEU A 57 35.162 27.125 22.553 1.00 20.00 C ATOM 787 C LEU A 57 34.933 28.341 23.476 1.00 20.00 C ATOM 788 O LEU A 57 33.822 28.863 23.551 1.00 20.00 O ATOM 789 CB LEU A 57 33.974 26.163 22.381 1.00 20.00 C ATOM 790 CG LEU A 57 33.627 25.165 23.502 1.00 20.00 C ATOM 791 CD1 LEU A 57 33.165 25.843 24.794 1.00 20.00 C ATOM 792 CD2 LEU A 57 32.507 24.259 22.967 1.00 20.00 C ATOM 0 H LEU A 57 36.465 26.198 23.873 1.00 20.00 H new ATOM 0 HA LEU A 57 35.305 27.633 21.599 1.00 20.00 H new ATOM 0 HB2 LEU A 57 33.087 26.771 22.201 1.00 20.00 H new ATOM 0 HB3 LEU A 57 34.153 25.584 21.475 1.00 20.00 H new ATOM 0 HG LEU A 57 34.526 24.605 23.761 1.00 20.00 H new ATOM 0 HD11 LEU A 57 32.937 25.084 25.542 1.00 20.00 H new ATOM 0 HD12 LEU A 57 33.956 26.493 25.167 1.00 20.00 H new ATOM 0 HD13 LEU A 57 32.272 26.436 24.595 1.00 20.00 H new ATOM 0 HD21 LEU A 57 32.229 23.534 23.732 1.00 20.00 H new ATOM 0 HD22 LEU A 57 31.639 24.866 22.710 1.00 20.00 H new ATOM 0 HD23 LEU A 57 32.857 23.733 22.079 1.00 20.00 H new ATOM 804 N GLN A 58 36.015 28.816 24.116 1.00 20.00 N ATOM 805 CA GLN A 58 36.216 30.082 24.836 1.00 20.00 C ATOM 806 C GLN A 58 35.210 30.418 25.943 1.00 20.00 C ATOM 807 O GLN A 58 35.067 31.576 26.334 1.00 20.00 O ATOM 808 CB GLN A 58 36.481 31.226 23.850 1.00 20.00 C ATOM 809 CG GLN A 58 35.263 31.727 23.053 1.00 20.00 C ATOM 810 CD GLN A 58 35.589 32.969 22.221 1.00 20.00 C ATOM 811 OE1 GLN A 58 36.080 33.968 22.742 1.00 20.00 O ATOM 812 NE2 GLN A 58 35.295 32.937 20.923 1.00 20.00 N ATOM 0 H GLN A 58 36.867 28.256 24.143 1.00 20.00 H new ATOM 0 HA GLN A 58 37.116 29.931 25.432 1.00 20.00 H new ATOM 0 HB2 GLN A 58 36.898 32.067 24.404 1.00 20.00 H new ATOM 0 HB3 GLN A 58 37.244 30.900 23.143 1.00 20.00 H new ATOM 0 HG2 GLN A 58 34.910 30.933 22.395 1.00 20.00 H new ATOM 0 HG3 GLN A 58 34.449 31.956 23.741 1.00 20.00 H new ATOM 0 HE21 GLN A 58 34.888 32.096 20.513 1.00 20.00 H new ATOM 0 HE22 GLN A 58 35.477 33.753 20.339 1.00 20.00 H new ATOM 821 N ALA A 59 34.538 29.385 26.452 1.00 20.00 N ATOM 822 CA ALA A 59 33.407 29.477 27.358 1.00 20.00 C ATOM 823 C ALA A 59 33.716 28.728 28.659 1.00 20.00 C ATOM 824 O ALA A 59 34.228 29.344 29.594 1.00 20.00 O ATOM 825 CB ALA A 59 32.170 28.981 26.607 1.00 20.00 C ATOM 0 H ALA A 59 34.783 28.420 26.230 1.00 20.00 H new ATOM 0 HA ALA A 59 33.206 30.502 27.669 1.00 20.00 H new ATOM 0 HB1 ALA A 59 31.300 29.037 27.261 1.00 20.00 H new ATOM 0 HB2 ALA A 59 32.004 29.604 25.728 1.00 20.00 H new ATOM 0 HB3 ALA A 59 32.323 27.948 26.295 1.00 20.00 H new ATOM 831 N GLU A 60 33.450 27.414 28.722 1.00 20.00 N ATOM 832 CA GLU A 60 33.817 26.577 29.869 1.00 20.00 C ATOM 833 C GLU A 60 35.326 26.274 29.868 1.00 20.00 C ATOM 834 O GLU A 60 35.921 26.118 30.934 1.00 20.00 O ATOM 835 CB GLU A 60 32.986 25.281 29.889 1.00 20.00 C ATOM 836 CG GLU A 60 31.473 25.565 29.835 1.00 20.00 C ATOM 837 CD GLU A 60 30.608 24.404 30.331 1.00 20.00 C ATOM 838 OE1 GLU A 60 30.962 23.238 30.051 1.00 20.00 O ATOM 839 OE2 GLU A 60 29.588 24.698 30.992 1.00 20.00 O ATOM 0 H GLU A 60 32.974 26.904 27.978 1.00 20.00 H new ATOM 0 HA GLU A 60 33.592 27.131 30.780 1.00 20.00 H new ATOM 0 HB2 GLU A 60 33.268 24.656 29.041 1.00 20.00 H new ATOM 0 HB3 GLU A 60 33.217 24.716 30.792 1.00 20.00 H new ATOM 0 HG2 GLU A 60 31.257 26.449 30.435 1.00 20.00 H new ATOM 0 HG3 GLU A 60 31.194 25.801 28.808 1.00 20.00 H new ATOM 846 N SER A 61 35.948 26.278 28.678 1.00 20.00 N ATOM 847 CA SER A 61 37.390 26.219 28.445 1.00 20.00 C ATOM 848 C SER A 61 38.137 27.513 28.825 1.00 20.00 C ATOM 849 O SER A 61 39.310 27.660 28.482 1.00 20.00 O ATOM 850 CB SER A 61 37.643 25.833 26.985 1.00 20.00 C ATOM 851 OG SER A 61 37.121 26.788 26.087 1.00 20.00 O ATOM 0 H SER A 61 35.422 26.325 27.805 1.00 20.00 H new ATOM 0 HA SER A 61 37.798 25.458 29.109 1.00 20.00 H new ATOM 0 HB2 SER A 61 38.715 25.727 26.819 1.00 20.00 H new ATOM 0 HB3 SER A 61 37.192 24.861 26.784 1.00 20.00 H new ATOM 0 HG SER A 61 37.858 27.267 25.654 1.00 20.00 H new ATOM 857 N ALA A 62 37.480 28.441 29.535 1.00 20.00 N ATOM 858 CA ALA A 62 38.056 29.664 30.086 1.00 20.00 C ATOM 859 C ALA A 62 37.891 29.765 31.617 1.00 20.00 C ATOM 860 O ALA A 62 38.504 30.642 32.228 1.00 20.00 O ATOM 861 CB ALA A 62 37.421 30.861 29.375 1.00 20.00 C ATOM 0 H ALA A 62 36.487 28.350 29.748 1.00 20.00 H new ATOM 0 HA ALA A 62 39.132 29.652 29.910 1.00 20.00 H new ATOM 0 HB1 ALA A 62 37.839 31.785 29.774 1.00 20.00 H new ATOM 0 HB2 ALA A 62 37.627 30.801 28.306 1.00 20.00 H new ATOM 0 HB3 ALA A 62 36.343 30.851 29.538 1.00 20.00 H new ATOM 867 N SER A 63 37.096 28.876 32.239 1.00 20.00 N ATOM 868 CA SER A 63 36.765 28.918 33.664 1.00 20.00 C ATOM 869 C SER A 63 37.800 28.206 34.544 1.00 20.00 C ATOM 870 O SER A 63 38.204 28.762 35.564 1.00 20.00 O ATOM 871 CB SER A 63 35.376 28.298 33.871 1.00 20.00 C ATOM 872 OG SER A 63 34.957 28.499 35.207 1.00 20.00 O ATOM 0 H SER A 63 36.660 28.094 31.750 1.00 20.00 H new ATOM 0 HA SER A 63 36.770 29.963 33.973 1.00 20.00 H new ATOM 0 HB2 SER A 63 34.660 28.749 33.184 1.00 20.00 H new ATOM 0 HB3 SER A 63 35.406 27.232 33.646 1.00 20.00 H new ATOM 0 HG SER A 63 34.070 28.103 35.335 1.00 20.00 H new ATOM 878 N CYS A 64 38.215 26.988 34.162 1.00 20.00 N ATOM 879 CA CYS A 64 39.054 26.085 34.955 1.00 20.00 C ATOM 880 C CYS A 64 40.498 26.579 35.201 1.00 20.00 C ATOM 881 O CYS A 64 41.205 25.972 36.005 1.00 20.00 O ATOM 882 CB CYS A 64 39.055 24.707 34.271 1.00 20.00 C ATOM 883 SG CYS A 64 37.684 23.609 34.732 1.00 20.00 S ATOM 0 H CYS A 64 37.964 26.593 33.256 1.00 20.00 H new ATOM 0 HA CYS A 64 38.617 26.037 35.952 1.00 20.00 H new ATOM 0 HB2 CYS A 64 39.032 24.856 33.191 1.00 20.00 H new ATOM 0 HB3 CYS A 64 39.994 24.205 34.504 1.00 20.00 H new ATOM 888 N GLY A 65 40.938 27.669 34.551 1.00 20.00 N ATOM 889 CA GLY A 65 42.281 28.246 34.658 1.00 20.00 C ATOM 890 C GLY A 65 43.309 27.522 33.783 1.00 20.00 C ATOM 891 O GLY A 65 43.054 26.405 33.334 1.00 20.00 O ATOM 0 H GLY A 65 40.340 28.191 33.911 1.00 20.00 H new ATOM 0 HA2 GLY A 65 42.244 29.297 34.373 1.00 20.00 H new ATOM 0 HA3 GLY A 65 42.606 28.209 35.698 1.00 20.00 H new ATOM 895 N LYS A 66 44.477 28.156 33.567 1.00 20.00 N ATOM 896 CA LYS A 66 45.521 27.716 32.631 1.00 20.00 C ATOM 897 C LYS A 66 45.853 26.233 32.796 1.00 20.00 C ATOM 898 O LYS A 66 46.295 25.803 33.862 1.00 20.00 O ATOM 899 CB LYS A 66 46.805 28.550 32.781 1.00 20.00 C ATOM 900 CG LYS A 66 46.674 29.985 32.243 1.00 20.00 C ATOM 901 CD LYS A 66 48.045 30.664 32.078 1.00 20.00 C ATOM 902 CE LYS A 66 48.846 30.788 33.380 1.00 20.00 C ATOM 903 NZ LYS A 66 48.173 31.655 34.365 1.00 20.00 N ATOM 0 H LYS A 66 44.725 29.016 34.056 1.00 20.00 H new ATOM 0 HA LYS A 66 45.116 27.869 31.631 1.00 20.00 H new ATOM 0 HB2 LYS A 66 47.081 28.590 33.835 1.00 20.00 H new ATOM 0 HB3 LYS A 66 47.618 28.047 32.257 1.00 20.00 H new ATOM 0 HG2 LYS A 66 46.160 29.967 31.282 1.00 20.00 H new ATOM 0 HG3 LYS A 66 46.057 30.573 32.923 1.00 20.00 H new ATOM 0 HD2 LYS A 66 48.633 30.099 31.355 1.00 20.00 H new ATOM 0 HD3 LYS A 66 47.897 31.660 31.660 1.00 20.00 H new ATOM 0 HE2 LYS A 66 48.993 29.797 33.810 1.00 20.00 H new ATOM 0 HE3 LYS A 66 49.835 31.190 33.160 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 48.757 31.724 35.223 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 48.040 32.603 33.959 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 47.247 31.250 34.609 1.00 20.00 H new ATOM 917 N GLY A 67 45.606 25.473 31.724 1.00 20.00 N ATOM 918 CA GLY A 67 45.678 24.021 31.700 1.00 20.00 C ATOM 919 C GLY A 67 44.331 23.360 31.396 1.00 20.00 C ATOM 920 O GLY A 67 44.243 22.143 31.511 1.00 20.00 O ATOM 0 H GLY A 67 45.342 25.872 30.823 1.00 20.00 H new ATOM 0 HA2 GLY A 67 46.406 23.711 30.950 1.00 20.00 H new ATOM 0 HA3 GLY A 67 46.042 23.665 32.664 1.00 20.00 H new ATOM 924 N GLN A 68 43.291 24.122 31.021 1.00 20.00 N ATOM 925 CA GLN A 68 41.980 23.603 30.649 1.00 20.00 C ATOM 926 C GLN A 68 41.733 23.654 29.137 1.00 20.00 C ATOM 927 O GLN A 68 42.228 24.534 28.435 1.00 20.00 O ATOM 928 CB GLN A 68 40.885 24.360 31.419 1.00 20.00 C ATOM 929 CG GLN A 68 40.351 25.668 30.795 1.00 20.00 C ATOM 930 CD GLN A 68 41.303 26.873 30.855 1.00 20.00 C ATOM 931 OE1 GLN A 68 42.443 26.825 30.402 1.00 20.00 O ATOM 932 NE2 GLN A 68 40.831 27.996 31.395 1.00 20.00 N ATOM 0 H GLN A 68 43.347 25.139 30.969 1.00 20.00 H new ATOM 0 HA GLN A 68 41.949 22.549 30.925 1.00 20.00 H new ATOM 0 HB2 GLN A 68 40.041 23.684 31.556 1.00 20.00 H new ATOM 0 HB3 GLN A 68 41.271 24.594 32.411 1.00 20.00 H new ATOM 0 HG2 GLN A 68 40.103 25.476 29.751 1.00 20.00 H new ATOM 0 HG3 GLN A 68 39.423 25.937 31.299 1.00 20.00 H new ATOM 0 HE21 GLN A 68 39.882 28.023 31.768 1.00 20.00 H new ATOM 0 HE22 GLN A 68 41.419 28.829 31.435 1.00 20.00 H new ATOM 941 N LYS A 69 40.870 22.745 28.674 1.00 20.00 N ATOM 942 CA LYS A 69 40.181 22.765 27.389 1.00 20.00 C ATOM 943 C LYS A 69 38.882 21.945 27.490 1.00 20.00 C ATOM 944 O LYS A 69 38.696 21.200 28.454 1.00 20.00 O ATOM 945 CB LYS A 69 41.131 22.272 26.280 1.00 20.00 C ATOM 946 CG LYS A 69 41.926 20.990 26.575 1.00 20.00 C ATOM 947 CD LYS A 69 41.109 19.710 26.397 1.00 20.00 C ATOM 948 CE LYS A 69 42.033 18.492 26.399 1.00 20.00 C ATOM 949 NZ LYS A 69 41.302 17.246 26.112 1.00 20.00 N ATOM 0 H LYS A 69 40.621 21.924 29.226 1.00 20.00 H new ATOM 0 HA LYS A 69 39.893 23.782 27.122 1.00 20.00 H new ATOM 0 HB2 LYS A 69 40.544 22.109 25.376 1.00 20.00 H new ATOM 0 HB3 LYS A 69 41.840 23.070 26.059 1.00 20.00 H new ATOM 0 HG2 LYS A 69 42.795 20.951 25.918 1.00 20.00 H new ATOM 0 HG3 LYS A 69 42.302 21.032 27.597 1.00 20.00 H new ATOM 0 HD2 LYS A 69 40.377 19.622 27.200 1.00 20.00 H new ATOM 0 HD3 LYS A 69 40.552 19.752 25.461 1.00 20.00 H new ATOM 0 HE2 LYS A 69 42.818 18.631 25.656 1.00 20.00 H new ATOM 0 HE3 LYS A 69 42.523 18.410 27.369 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 41.289 16.647 26.962 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 40.326 17.472 25.833 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 41.774 16.737 25.337 1.00 20.00 H new ATOM 963 N CYS A 70 37.985 22.077 26.499 1.00 20.00 N ATOM 964 CA CYS A 70 36.662 21.445 26.499 1.00 20.00 C ATOM 965 C CYS A 70 36.425 20.666 25.203 1.00 20.00 C ATOM 966 O CYS A 70 36.690 21.177 24.118 1.00 20.00 O ATOM 967 CB CYS A 70 35.567 22.497 26.735 1.00 20.00 C ATOM 968 SG CYS A 70 34.056 21.755 27.402 1.00 20.00 S ATOM 0 H CYS A 70 38.165 22.635 25.664 1.00 20.00 H new ATOM 0 HA CYS A 70 36.621 20.728 27.319 1.00 20.00 H new ATOM 0 HB2 CYS A 70 35.935 23.256 27.425 1.00 20.00 H new ATOM 0 HB3 CYS A 70 35.340 23.003 25.796 1.00 20.00 H new ATOM 973 N CYS A 71 35.920 19.431 25.327 1.00 20.00 N ATOM 974 CA CYS A 71 35.844 18.438 24.258 1.00 20.00 C ATOM 975 C CYS A 71 34.452 17.799 24.247 1.00 20.00 C ATOM 976 O CYS A 71 34.267 16.693 24.755 1.00 20.00 O ATOM 977 CB CYS A 71 36.945 17.391 24.482 1.00 20.00 C ATOM 978 SG CYS A 71 38.629 18.047 24.481 1.00 20.00 S ATOM 0 H CYS A 71 35.540 19.088 26.209 1.00 20.00 H new ATOM 0 HA CYS A 71 36.000 18.906 23.286 1.00 20.00 H new ATOM 0 HB2 CYS A 71 36.765 16.894 25.435 1.00 20.00 H new ATOM 0 HB3 CYS A 71 36.866 16.630 23.705 1.00 20.00 H new ATOM 983 N VAL A 72 33.467 18.520 23.696 1.00 20.00 N ATOM 984 CA VAL A 72 32.056 18.138 23.736 1.00 20.00 C ATOM 985 C VAL A 72 31.448 18.353 22.351 1.00 20.00 C ATOM 986 O VAL A 72 31.075 19.469 21.986 1.00 20.00 O ATOM 987 CB VAL A 72 31.310 18.902 24.851 1.00 20.00 C ATOM 988 CG1 VAL A 72 29.863 18.411 24.972 1.00 20.00 C ATOM 989 CG2 VAL A 72 31.955 18.698 26.232 1.00 20.00 C ATOM 0 H VAL A 72 33.634 19.397 23.203 1.00 20.00 H new ATOM 0 HA VAL A 72 31.957 17.081 23.985 1.00 20.00 H new ATOM 0 HB VAL A 72 31.356 19.954 24.568 1.00 20.00 H new ATOM 0 HG11 VAL A 72 29.356 18.963 25.764 1.00 20.00 H new ATOM 0 HG12 VAL A 72 29.344 18.573 24.027 1.00 20.00 H new ATOM 0 HG13 VAL A 72 29.858 17.348 25.211 1.00 20.00 H new ATOM 0 HG21 VAL A 72 31.394 19.256 26.982 1.00 20.00 H new ATOM 0 HG22 VAL A 72 31.945 17.638 26.485 1.00 20.00 H new ATOM 0 HG23 VAL A 72 32.984 19.056 26.209 1.00 20.00 H new ATOM 999 N TRP A 73 31.388 17.263 21.579 1.00 20.00 N ATOM 1000 CA TRP A 73 30.896 17.211 20.208 1.00 20.00 C ATOM 1001 C TRP A 73 29.436 16.727 20.170 1.00 20.00 C ATOM 1002 O TRP A 73 28.832 16.455 21.210 1.00 20.00 O ATOM 1003 CB TRP A 73 31.824 16.299 19.389 1.00 20.00 C ATOM 1004 CG TRP A 73 33.299 16.549 19.539 1.00 20.00 C ATOM 1005 CD1 TRP A 73 33.918 17.751 19.488 1.00 20.00 C ATOM 1006 CD2 TRP A 73 34.357 15.574 19.789 1.00 20.00 C ATOM 1007 NE1 TRP A 73 35.274 17.590 19.686 1.00 20.00 N ATOM 1008 CE2 TRP A 73 35.602 16.264 19.877 1.00 20.00 C ATOM 1009 CE3 TRP A 73 34.385 14.175 19.948 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 36.814 15.593 20.109 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 35.596 13.488 20.158 1.00 20.00 C ATOM 1012 CH2 TRP A 73 36.809 14.194 20.241 1.00 20.00 C ATOM 0 H TRP A 73 31.698 16.351 21.915 1.00 20.00 H new ATOM 0 HA TRP A 73 30.905 18.209 19.770 1.00 20.00 H new ATOM 0 HB2 TRP A 73 31.621 15.265 19.667 1.00 20.00 H new ATOM 0 HB3 TRP A 73 31.564 16.402 18.336 1.00 20.00 H new ATOM 0 HD1 TRP A 73 33.424 18.696 19.318 1.00 20.00 H new ATOM 0 HE1 TRP A 73 35.949 18.355 19.691 1.00 20.00 H new ATOM 0 HE3 TRP A 73 33.460 13.619 19.908 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 37.739 16.146 20.185 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 35.593 12.412 20.256 1.00 20.00 H new ATOM 0 HH2 TRP A 73 37.735 13.662 20.406 1.00 20.00 H new ATOM 1023 N LEU A 74 28.867 16.629 18.961 1.00 20.00 N ATOM 1024 CA LEU A 74 27.494 16.206 18.692 1.00 20.00 C ATOM 1025 C LEU A 74 27.441 14.954 17.800 1.00 20.00 C ATOM 1026 O LEU A 74 28.477 14.457 17.353 1.00 20.00 O ATOM 1027 CB LEU A 74 26.699 17.403 18.143 1.00 20.00 C ATOM 1028 CG LEU A 74 26.843 17.724 16.641 1.00 20.00 C ATOM 1029 CD1 LEU A 74 25.909 18.893 16.307 1.00 20.00 C ATOM 1030 CD2 LEU A 74 28.273 18.093 16.236 1.00 20.00 C ATOM 0 H LEU A 74 29.378 16.854 18.107 1.00 20.00 H new ATOM 0 HA LEU A 74 27.016 15.893 19.620 1.00 20.00 H new ATOM 0 HB2 LEU A 74 25.643 17.229 18.350 1.00 20.00 H new ATOM 0 HB3 LEU A 74 26.993 18.289 18.706 1.00 20.00 H new ATOM 0 HG LEU A 74 26.581 16.824 16.085 1.00 20.00 H new ATOM 0 HD11 LEU A 74 25.995 19.137 15.248 1.00 20.00 H new ATOM 0 HD12 LEU A 74 24.880 18.612 16.532 1.00 20.00 H new ATOM 0 HD13 LEU A 74 26.187 19.762 16.903 1.00 20.00 H new ATOM 0 HD21 LEU A 74 28.305 18.307 15.168 1.00 20.00 H new ATOM 0 HD22 LEU A 74 28.593 18.974 16.792 1.00 20.00 H new ATOM 0 HD23 LEU A 74 28.941 17.261 16.459 1.00 20.00 H new ATOM 1042 N HIS A 75 26.223 14.442 17.559 1.00 20.00 N ATOM 1043 CA HIS A 75 25.953 13.237 16.776 1.00 20.00 C ATOM 1044 C HIS A 75 26.482 13.359 15.340 1.00 20.00 C ATOM 1045 O HIS A 75 27.274 12.469 14.954 1.00 20.00 O ATOM 1046 CB HIS A 75 24.447 12.933 16.808 1.00 20.00 C ATOM 1047 CG HIS A 75 24.044 11.665 16.091 1.00 20.00 C ATOM 1048 ND1 HIS A 75 24.790 10.504 15.984 1.00 20.00 N ATOM 1049 CD2 HIS A 75 22.857 11.464 15.444 1.00 20.00 C ATOM 1050 CE1 HIS A 75 24.067 9.620 15.277 1.00 20.00 C ATOM 1051 NE2 HIS A 75 22.888 10.181 14.935 1.00 20.00 N ATOM 1052 OXT HIS A 75 26.094 14.326 14.647 1.00 20.00 O ATOM 0 H HIS A 75 25.373 14.875 17.919 1.00 20.00 H new ATOM 0 HA HIS A 75 26.488 12.400 17.225 1.00 20.00 H new ATOM 0 HB2 HIS A 75 24.126 12.864 17.847 1.00 20.00 H new ATOM 0 HB3 HIS A 75 23.911 13.772 16.364 1.00 20.00 H new ATOM 0 HD2 HIS A 75 22.049 12.174 15.349 1.00 20.00 H new ATOM 0 HE1 HIS A 75 24.380 8.618 15.022 1.00 20.00 H new ATOM 0 HE2 HIS A 75 22.148 9.734 14.394 1.00 20.00 H new TER 1061 HIS A 75