USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 120:sc= -1.1 USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.159) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.49) USER MOD Single : A 15 SER OG : rot 118:sc= -0.877 USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0274) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00497 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.436 K(o=-0.44,f=-3.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.63 K(o=-1.6,f=-7.7!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.985! USER MOD Single : A 52 GLN : amide:sc= -0.0668 X(o=-0.067,f=0) USER MOD Single : A 53 SER OG : rot 150:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.495) USER MOD Single : A 58 GLN : amide:sc= 0.0613 K(o=0.061,f=-2.6!) USER MOD Single : A 61 GLN : amide:sc= -0.0279 K(o=-0.028,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= -0.108 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.64 K(o=-0.64,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.385 -15.964 6.390 1.00 0.00 N ATOM 2 CA GLY A 1 0.227 -16.496 5.046 1.00 0.00 C ATOM 3 C GLY A 1 0.284 -15.377 4.005 1.00 0.00 C ATOM 4 O GLY A 1 1.221 -15.308 3.212 1.00 0.00 O ATOM 0 H1 GLY A 1 0.343 -16.742 7.079 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.304 -15.483 6.467 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.378 -15.286 6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.012 -17.225 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.725 -17.022 4.968 1.00 0.00 H new ATOM 8 N SER A 2 -0.734 -14.529 4.039 1.00 0.00 N ATOM 9 CA SER A 2 -0.813 -13.417 3.107 1.00 0.00 C ATOM 10 C SER A 2 -1.106 -13.935 1.698 1.00 0.00 C ATOM 11 O SER A 2 -1.087 -15.142 1.459 1.00 0.00 O ATOM 12 CB SER A 2 0.481 -12.599 3.114 1.00 0.00 C ATOM 13 OG SER A 2 0.897 -12.272 4.437 1.00 0.00 O ATOM 0 H SER A 2 -1.511 -14.590 4.697 1.00 0.00 H new ATOM 0 HA SER A 2 -1.626 -12.763 3.423 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.269 -13.163 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.334 -11.682 2.543 1.00 0.00 H new ATOM 0 HG SER A 2 1.785 -12.651 4.604 1.00 0.00 H new ATOM 19 N ALA A 3 -1.369 -12.998 0.799 1.00 0.00 N ATOM 20 CA ALA A 3 -1.666 -13.344 -0.580 1.00 0.00 C ATOM 21 C ALA A 3 -0.387 -13.236 -1.414 1.00 0.00 C ATOM 22 O ALA A 3 -0.266 -13.880 -2.455 1.00 0.00 O ATOM 23 CB ALA A 3 -2.782 -12.440 -1.106 1.00 0.00 C ATOM 0 H ALA A 3 -1.382 -11.998 1.000 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.021 -14.372 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.004 -12.701 -2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.677 -12.575 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.462 -11.399 -1.055 1.00 0.00 H new ATOM 29 N GLY A 4 0.533 -12.419 -0.926 1.00 0.00 N ATOM 30 CA GLY A 4 1.798 -12.218 -1.613 1.00 0.00 C ATOM 31 C GLY A 4 2.341 -10.810 -1.363 1.00 0.00 C ATOM 32 O GLY A 4 1.983 -10.169 -0.376 1.00 0.00 O ATOM 0 H GLY A 4 0.428 -11.887 -0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.523 -12.957 -1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.663 -12.375 -2.683 1.00 0.00 H new ATOM 36 N LYS A 5 3.194 -10.369 -2.275 1.00 0.00 N ATOM 37 CA LYS A 5 3.790 -9.049 -2.167 1.00 0.00 C ATOM 38 C LYS A 5 3.014 -8.070 -3.052 1.00 0.00 C ATOM 39 O LYS A 5 2.424 -8.469 -4.054 1.00 0.00 O ATOM 40 CB LYS A 5 5.286 -9.109 -2.481 1.00 0.00 C ATOM 41 CG LYS A 5 5.525 -9.284 -3.982 1.00 0.00 C ATOM 42 CD LYS A 5 7.018 -9.431 -4.286 1.00 0.00 C ATOM 43 CE LYS A 5 7.503 -10.848 -3.973 1.00 0.00 C ATOM 44 NZ LYS A 5 8.281 -10.863 -2.714 1.00 0.00 N ATOM 0 H LYS A 5 3.487 -10.903 -3.093 1.00 0.00 H new ATOM 0 HA LYS A 5 3.718 -8.681 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.770 -8.195 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.742 -9.936 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.989 -10.163 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.123 -8.426 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.204 -9.203 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.586 -8.710 -3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.649 -11.520 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.119 -11.217 -4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.214 -11.804 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.277 -10.646 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.899 -10.149 -2.061 1.00 0.00 H new ATOM 58 N PHE A 6 3.043 -6.809 -2.650 1.00 0.00 N ATOM 59 CA PHE A 6 2.350 -5.770 -3.392 1.00 0.00 C ATOM 60 C PHE A 6 3.198 -4.499 -3.479 1.00 0.00 C ATOM 61 O PHE A 6 4.105 -4.299 -2.674 1.00 0.00 O ATOM 62 CB PHE A 6 1.062 -5.458 -2.630 1.00 0.00 C ATOM 63 CG PHE A 6 -0.032 -6.517 -2.795 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.137 -7.757 -2.264 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.172 -6.217 -3.473 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.876 -8.739 -2.417 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.186 -7.199 -3.627 1.00 0.00 C ATOM 68 CZ PHE A 6 -2.016 -8.439 -3.095 1.00 0.00 C ATOM 0 H PHE A 6 3.536 -6.482 -1.819 1.00 0.00 H new ATOM 0 HA PHE A 6 2.149 -6.111 -4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.295 -5.354 -1.570 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.676 -4.496 -2.968 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.042 -7.995 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.306 -5.232 -3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.742 -9.724 -1.995 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.091 -6.961 -4.166 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.787 -9.186 -3.211 1.00 0.00 H new ATOM 78 N ILE A 7 2.872 -3.675 -4.464 1.00 0.00 N ATOM 79 CA ILE A 7 3.592 -2.429 -4.666 1.00 0.00 C ATOM 80 C ILE A 7 2.597 -1.322 -5.021 1.00 0.00 C ATOM 81 O ILE A 7 2.175 -1.206 -6.171 1.00 0.00 O ATOM 82 CB ILE A 7 4.702 -2.614 -5.704 1.00 0.00 C ATOM 83 CG1 ILE A 7 5.035 -4.096 -5.891 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.938 -1.791 -5.337 1.00 0.00 C ATOM 85 CD1 ILE A 7 6.213 -4.275 -6.852 1.00 0.00 C ATOM 0 H ILE A 7 2.119 -3.846 -5.131 1.00 0.00 H new ATOM 0 HA ILE A 7 4.093 -2.125 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 7 4.340 -2.241 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.276 -4.543 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.162 -4.623 -6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.711 -1.940 -6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.672 -0.735 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.312 -2.111 -4.364 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.430 -5.337 -6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.959 -3.848 -7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.090 -3.767 -6.451 1.00 0.00 H new ATOM 97 N VAL A 8 2.252 -0.535 -4.012 1.00 0.00 N ATOM 98 CA VAL A 8 1.315 0.558 -4.203 1.00 0.00 C ATOM 99 C VAL A 8 2.071 1.887 -4.146 1.00 0.00 C ATOM 100 O VAL A 8 3.237 1.926 -3.756 1.00 0.00 O ATOM 101 CB VAL A 8 0.188 0.467 -3.172 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.219 -0.988 -2.932 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.587 1.149 -1.862 1.00 0.00 C ATOM 0 H VAL A 8 2.605 -0.633 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 8 0.846 0.492 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.677 0.994 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.021 -1.025 -2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.565 -1.428 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.639 -1.550 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.232 1.070 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.473 0.663 -1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.804 2.200 -2.051 1.00 0.00 H new ATOM 113 N ILE A 9 1.376 2.944 -4.541 1.00 0.00 N ATOM 114 CA ILE A 9 1.968 4.271 -4.541 1.00 0.00 C ATOM 115 C ILE A 9 0.938 5.283 -4.034 1.00 0.00 C ATOM 116 O ILE A 9 -0.218 4.934 -3.800 1.00 0.00 O ATOM 117 CB ILE A 9 2.532 4.607 -5.923 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.053 4.767 -5.870 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.846 5.842 -6.509 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.755 3.442 -6.179 1.00 0.00 C ATOM 0 H ILE A 9 0.409 2.908 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 9 2.817 4.310 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 9 2.319 3.773 -6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.368 5.525 -6.587 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.351 5.119 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.265 6.059 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.777 5.653 -6.604 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.007 6.695 -5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.835 3.583 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.457 2.693 -5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.474 3.105 -7.177 1.00 0.00 H new ATOM 132 N PHE A 10 1.394 6.518 -3.881 1.00 0.00 N ATOM 133 CA PHE A 10 0.527 7.583 -3.407 1.00 0.00 C ATOM 134 C PHE A 10 0.703 8.849 -4.248 1.00 0.00 C ATOM 135 O PHE A 10 1.817 9.180 -4.650 1.00 0.00 O ATOM 136 CB PHE A 10 0.935 7.883 -1.962 1.00 0.00 C ATOM 137 CG PHE A 10 1.166 6.634 -1.109 1.00 0.00 C ATOM 138 CD1 PHE A 10 0.268 5.614 -1.140 1.00 0.00 C ATOM 139 CD2 PHE A 10 2.268 6.545 -0.317 1.00 0.00 C ATOM 140 CE1 PHE A 10 0.481 4.455 -0.348 1.00 0.00 C ATOM 141 CE2 PHE A 10 2.482 5.386 0.475 1.00 0.00 C ATOM 142 CZ PHE A 10 1.584 4.365 0.443 1.00 0.00 C ATOM 0 H PHE A 10 2.353 6.805 -4.077 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.516 7.274 -3.479 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.847 8.479 -1.969 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.160 8.491 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.608 5.685 -1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.981 7.356 -0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.233 3.645 -0.374 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.358 5.315 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.747 3.483 1.045 1.00 0.00 H new ATOM 152 N LYS A 11 -0.412 9.521 -4.487 1.00 0.00 N ATOM 153 CA LYS A 11 -0.395 10.743 -5.273 1.00 0.00 C ATOM 154 C LYS A 11 0.695 11.673 -4.738 1.00 0.00 C ATOM 155 O LYS A 11 1.340 11.368 -3.736 1.00 0.00 O ATOM 156 CB LYS A 11 -1.786 11.380 -5.304 1.00 0.00 C ATOM 157 CG LYS A 11 -2.288 11.671 -3.887 1.00 0.00 C ATOM 158 CD LYS A 11 -3.756 12.101 -3.903 1.00 0.00 C ATOM 159 CE LYS A 11 -3.933 13.418 -4.660 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.361 13.642 -4.982 1.00 0.00 N ATOM 0 H LYS A 11 -1.334 9.243 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.147 10.524 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.753 12.305 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.484 10.714 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.172 10.782 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.680 12.456 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.361 11.324 -4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.117 12.214 -2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.556 14.244 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.346 13.399 -5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.464 14.540 -5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.710 12.862 -5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.913 13.681 -4.102 1.00 0.00 H new ATOM 174 N ASN A 12 0.868 12.790 -5.431 1.00 0.00 N ATOM 175 CA ASN A 12 1.870 13.766 -5.037 1.00 0.00 C ATOM 176 C ASN A 12 1.228 14.805 -4.116 1.00 0.00 C ATOM 177 O ASN A 12 1.578 15.984 -4.164 1.00 0.00 O ATOM 178 CB ASN A 12 2.433 14.498 -6.256 1.00 0.00 C ATOM 179 CG ASN A 12 3.953 14.645 -6.154 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.523 14.731 -5.079 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.574 14.666 -7.330 1.00 0.00 N ATOM 0 H ASN A 12 0.332 13.040 -6.262 1.00 0.00 H new ATOM 0 HA ASN A 12 2.677 13.237 -4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.177 13.951 -7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.973 15.483 -6.337 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.589 14.759 -7.369 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.035 14.589 -8.193 1.00 0.00 H new ATOM 188 N ASP A 13 0.299 14.332 -3.297 1.00 0.00 N ATOM 189 CA ASP A 13 -0.395 15.206 -2.367 1.00 0.00 C ATOM 190 C ASP A 13 -0.230 14.664 -0.946 1.00 0.00 C ATOM 191 O ASP A 13 0.058 15.420 -0.019 1.00 0.00 O ATOM 192 CB ASP A 13 -1.891 15.266 -2.679 1.00 0.00 C ATOM 193 CG ASP A 13 -2.675 16.316 -1.889 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.757 16.151 -0.652 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.175 17.260 -2.539 1.00 0.00 O ATOM 0 H ASP A 13 0.011 13.354 -3.259 1.00 0.00 H new ATOM 0 HA ASP A 13 0.033 16.204 -2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.017 15.465 -3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.327 14.286 -2.484 1.00 0.00 H new ATOM 200 N VAL A 14 -0.420 13.359 -0.819 1.00 0.00 N ATOM 201 CA VAL A 14 -0.296 12.707 0.474 1.00 0.00 C ATOM 202 C VAL A 14 0.883 13.317 1.236 1.00 0.00 C ATOM 203 O VAL A 14 1.864 13.742 0.632 1.00 0.00 O ATOM 204 CB VAL A 14 -0.168 11.194 0.286 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.601 10.862 -0.994 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.491 10.545 1.505 1.00 0.00 C ATOM 0 H VAL A 14 -0.659 12.735 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.191 12.872 1.073 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.173 10.783 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.677 9.780 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.074 11.277 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.601 11.292 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.570 9.470 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.487 10.965 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.114 10.737 2.391 1.00 0.00 H new ATOM 216 N SER A 15 0.744 13.339 2.554 1.00 0.00 N ATOM 217 CA SER A 15 1.785 13.889 3.406 1.00 0.00 C ATOM 218 C SER A 15 2.757 12.785 3.825 1.00 0.00 C ATOM 219 O SER A 15 2.586 11.627 3.447 1.00 0.00 O ATOM 220 CB SER A 15 1.185 14.566 4.640 1.00 0.00 C ATOM 221 OG SER A 15 0.792 13.619 5.630 1.00 0.00 O ATOM 0 H SER A 15 -0.073 12.985 3.052 1.00 0.00 H new ATOM 0 HA SER A 15 2.328 14.645 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.914 15.255 5.066 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.321 15.160 4.343 1.00 0.00 H new ATOM 0 HG SER A 15 1.310 13.768 6.449 1.00 0.00 H new ATOM 227 N GLU A 16 3.754 13.181 4.602 1.00 0.00 N ATOM 228 CA GLU A 16 4.753 12.239 5.077 1.00 0.00 C ATOM 229 C GLU A 16 4.180 11.383 6.208 1.00 0.00 C ATOM 230 O GLU A 16 4.292 10.158 6.183 1.00 0.00 O ATOM 231 CB GLU A 16 6.022 12.966 5.528 1.00 0.00 C ATOM 232 CG GLU A 16 7.250 12.066 5.381 1.00 0.00 C ATOM 233 CD GLU A 16 8.536 12.843 5.670 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.906 12.905 6.863 1.00 0.00 O ATOM 235 OE2 GLU A 16 9.122 13.358 4.693 1.00 0.00 O ATOM 0 H GLU A 16 3.892 14.142 4.915 1.00 0.00 H new ATOM 0 HA GLU A 16 5.025 11.581 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.157 13.871 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.917 13.278 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.170 11.221 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.287 11.657 4.371 1.00 0.00 H new ATOM 242 N ASP A 17 3.578 12.062 7.174 1.00 0.00 N ATOM 243 CA ASP A 17 2.987 11.379 8.312 1.00 0.00 C ATOM 244 C ASP A 17 1.932 10.388 7.816 1.00 0.00 C ATOM 245 O ASP A 17 1.884 9.246 8.272 1.00 0.00 O ATOM 246 CB ASP A 17 2.298 12.370 9.252 1.00 0.00 C ATOM 247 CG ASP A 17 3.193 13.498 9.772 1.00 0.00 C ATOM 248 OD1 ASP A 17 4.163 13.167 10.489 1.00 0.00 O ATOM 249 OD2 ASP A 17 2.887 14.663 9.441 1.00 0.00 O ATOM 0 H ASP A 17 3.487 13.078 7.192 1.00 0.00 H new ATOM 0 HA ASP A 17 3.785 10.867 8.849 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.449 12.812 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.898 11.821 10.105 1.00 0.00 H new ATOM 254 N LYS A 18 1.113 10.860 6.888 1.00 0.00 N ATOM 255 CA LYS A 18 0.063 10.030 6.324 1.00 0.00 C ATOM 256 C LYS A 18 0.689 8.804 5.658 1.00 0.00 C ATOM 257 O LYS A 18 0.222 7.681 5.847 1.00 0.00 O ATOM 258 CB LYS A 18 -0.827 10.851 5.389 1.00 0.00 C ATOM 259 CG LYS A 18 -2.209 11.078 6.005 1.00 0.00 C ATOM 260 CD LYS A 18 -3.299 11.040 4.932 1.00 0.00 C ATOM 261 CE LYS A 18 -4.501 11.894 5.341 1.00 0.00 C ATOM 262 NZ LYS A 18 -5.164 11.321 6.533 1.00 0.00 N ATOM 0 H LYS A 18 1.156 11.807 6.512 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.595 9.663 7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.355 11.812 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.931 10.335 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.406 10.314 6.757 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.230 12.040 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.896 11.402 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.618 10.011 4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.175 12.912 5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.211 11.952 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.025 11.864 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.417 10.330 6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.517 11.366 7.346 1.00 0.00 H new ATOM 276 N ILE A 19 1.739 9.059 4.889 1.00 0.00 N ATOM 277 CA ILE A 19 2.434 7.990 4.193 1.00 0.00 C ATOM 278 C ILE A 19 2.837 6.910 5.199 1.00 0.00 C ATOM 279 O ILE A 19 2.453 5.750 5.056 1.00 0.00 O ATOM 280 CB ILE A 19 3.609 8.551 3.390 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.400 8.337 1.889 1.00 0.00 C ATOM 282 CG2 ILE A 19 4.935 7.960 3.873 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.593 8.862 1.089 1.00 0.00 C ATOM 0 H ILE A 19 2.124 9.990 4.733 1.00 0.00 H new ATOM 0 HA ILE A 19 1.775 7.517 3.464 1.00 0.00 H new ATOM 0 HB ILE A 19 3.655 9.627 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.260 7.275 1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.491 8.846 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.754 8.375 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.081 8.206 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.916 6.877 3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.419 8.698 0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.715 9.929 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.496 8.334 1.394 1.00 0.00 H new ATOM 295 N ARG A 20 3.604 7.329 6.194 1.00 0.00 N ATOM 296 CA ARG A 20 4.062 6.412 7.224 1.00 0.00 C ATOM 297 C ARG A 20 2.868 5.754 7.919 1.00 0.00 C ATOM 298 O ARG A 20 2.956 4.611 8.365 1.00 0.00 O ATOM 299 CB ARG A 20 4.915 7.136 8.266 1.00 0.00 C ATOM 300 CG ARG A 20 6.128 7.803 7.615 1.00 0.00 C ATOM 301 CD ARG A 20 7.416 7.451 8.363 1.00 0.00 C ATOM 302 NE ARG A 20 8.547 7.363 7.412 1.00 0.00 N ATOM 303 CZ ARG A 20 9.807 7.081 7.767 1.00 0.00 C ATOM 304 NH1 ARG A 20 10.107 6.857 9.053 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.769 7.023 6.835 1.00 0.00 N ATOM 0 H ARG A 20 3.920 8.292 6.309 1.00 0.00 H new ATOM 0 HA ARG A 20 4.671 5.648 6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.312 7.888 8.776 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.249 6.427 9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.208 7.484 6.576 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.992 8.884 7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.625 8.207 9.120 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.295 6.502 8.885 1.00 0.00 H new ATOM 0 HE ARG A 20 8.354 7.528 6.424 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.376 6.901 9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.067 6.642 9.323 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.541 7.194 5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.729 6.808 7.105 1.00 0.00 H new ATOM 319 N GLU A 21 1.778 6.505 7.989 1.00 0.00 N ATOM 320 CA GLU A 21 0.568 6.010 8.622 1.00 0.00 C ATOM 321 C GLU A 21 -0.015 4.846 7.817 1.00 0.00 C ATOM 322 O GLU A 21 -0.055 3.714 8.297 1.00 0.00 O ATOM 323 CB GLU A 21 -0.460 7.130 8.790 1.00 0.00 C ATOM 324 CG GLU A 21 -0.112 8.021 9.985 1.00 0.00 C ATOM 325 CD GLU A 21 -1.300 8.143 10.942 1.00 0.00 C ATOM 326 OE1 GLU A 21 -1.826 7.079 11.332 1.00 0.00 O ATOM 327 OE2 GLU A 21 -1.653 9.299 11.261 1.00 0.00 O ATOM 0 H GLU A 21 1.708 7.452 7.618 1.00 0.00 H new ATOM 0 HA GLU A 21 0.825 5.645 9.616 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.498 7.732 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.452 6.700 8.929 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.745 7.606 10.515 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.179 9.011 9.633 1.00 0.00 H new ATOM 334 N THR A 22 -0.450 5.165 6.608 1.00 0.00 N ATOM 335 CA THR A 22 -1.028 4.160 5.732 1.00 0.00 C ATOM 336 C THR A 22 -0.281 2.833 5.877 1.00 0.00 C ATOM 337 O THR A 22 -0.899 1.772 5.946 1.00 0.00 O ATOM 338 CB THR A 22 -1.015 4.712 4.306 1.00 0.00 C ATOM 339 OG1 THR A 22 -1.854 5.862 4.371 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.725 3.789 3.314 1.00 0.00 C ATOM 0 H THR A 22 -0.414 6.105 6.214 1.00 0.00 H new ATOM 0 HA THR A 22 -2.062 3.946 6.003 1.00 0.00 H new ATOM 0 HB THR A 22 0.016 4.865 3.986 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.900 6.283 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.687 4.228 2.317 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.230 2.818 3.302 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.765 3.662 3.615 1.00 0.00 H new ATOM 348 N LYS A 23 1.040 2.936 5.917 1.00 0.00 N ATOM 349 CA LYS A 23 1.878 1.757 6.052 1.00 0.00 C ATOM 350 C LYS A 23 1.611 1.098 7.408 1.00 0.00 C ATOM 351 O LYS A 23 1.281 -0.085 7.473 1.00 0.00 O ATOM 352 CB LYS A 23 3.347 2.114 5.822 1.00 0.00 C ATOM 353 CG LYS A 23 3.621 2.378 4.339 1.00 0.00 C ATOM 354 CD LYS A 23 5.088 2.750 4.110 1.00 0.00 C ATOM 355 CE LYS A 23 5.241 4.252 3.865 1.00 0.00 C ATOM 356 NZ LYS A 23 6.509 4.535 3.156 1.00 0.00 N ATOM 0 H LYS A 23 1.550 3.817 5.858 1.00 0.00 H new ATOM 0 HA LYS A 23 1.628 1.023 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.606 2.997 6.406 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.982 1.301 6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.372 1.491 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.978 3.184 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.681 2.457 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.478 2.197 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.399 4.618 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.222 4.785 4.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.597 5.559 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.310 4.203 3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.512 4.042 2.240 1.00 0.00 H new ATOM 370 N ASP A 24 1.764 1.894 8.456 1.00 0.00 N ATOM 371 CA ASP A 24 1.543 1.403 9.806 1.00 0.00 C ATOM 372 C ASP A 24 0.121 0.851 9.917 1.00 0.00 C ATOM 373 O ASP A 24 -0.103 -0.172 10.562 1.00 0.00 O ATOM 374 CB ASP A 24 1.695 2.528 10.832 1.00 0.00 C ATOM 375 CG ASP A 24 3.036 2.555 11.568 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.892 1.712 11.221 1.00 0.00 O ATOM 377 OD2 ASP A 24 3.177 3.419 12.461 1.00 0.00 O ATOM 0 H ASP A 24 2.038 2.875 8.398 1.00 0.00 H new ATOM 0 HA ASP A 24 2.282 0.627 10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.557 3.483 10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.896 2.439 11.568 1.00 0.00 H new ATOM 382 N GLU A 25 -0.803 1.552 9.278 1.00 0.00 N ATOM 383 CA GLU A 25 -2.198 1.144 9.296 1.00 0.00 C ATOM 384 C GLU A 25 -2.335 -0.303 8.817 1.00 0.00 C ATOM 385 O GLU A 25 -3.151 -1.060 9.340 1.00 0.00 O ATOM 386 CB GLU A 25 -3.057 2.086 8.449 1.00 0.00 C ATOM 387 CG GLU A 25 -4.352 2.450 9.177 1.00 0.00 C ATOM 388 CD GLU A 25 -5.478 1.480 8.813 1.00 0.00 C ATOM 389 OE1 GLU A 25 -5.162 0.283 8.643 1.00 0.00 O ATOM 390 OE2 GLU A 25 -6.628 1.958 8.712 1.00 0.00 O ATOM 0 H GLU A 25 -0.614 2.400 8.744 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.559 1.202 10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.495 2.992 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.292 1.612 7.496 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.185 2.431 10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.646 3.467 8.917 1.00 0.00 H new ATOM 397 N VAL A 26 -1.523 -0.643 7.827 1.00 0.00 N ATOM 398 CA VAL A 26 -1.543 -1.985 7.270 1.00 0.00 C ATOM 399 C VAL A 26 -0.761 -2.926 8.190 1.00 0.00 C ATOM 400 O VAL A 26 -1.160 -4.071 8.397 1.00 0.00 O ATOM 401 CB VAL A 26 -1.006 -1.967 5.838 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.410 -2.546 5.776 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.946 -2.713 4.890 1.00 0.00 C ATOM 0 H VAL A 26 -0.847 -0.012 7.396 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.565 -2.359 7.214 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.958 -0.928 5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.768 -2.522 4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.073 -1.953 6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.398 -3.576 6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.540 -2.685 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.042 -3.749 5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.927 -2.237 4.901 1.00 0.00 H new ATOM 413 N ILE A 27 0.338 -2.407 8.718 1.00 0.00 N ATOM 414 CA ILE A 27 1.179 -3.186 9.611 1.00 0.00 C ATOM 415 C ILE A 27 0.342 -3.674 10.795 1.00 0.00 C ATOM 416 O ILE A 27 0.497 -4.810 11.242 1.00 0.00 O ATOM 417 CB ILE A 27 2.414 -2.380 10.021 1.00 0.00 C ATOM 418 CG1 ILE A 27 3.191 -1.906 8.791 1.00 0.00 C ATOM 419 CG2 ILE A 27 3.295 -3.181 10.983 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.329 -2.872 8.456 1.00 0.00 C ATOM 0 H ILE A 27 0.665 -1.457 8.545 1.00 0.00 H new ATOM 0 HA ILE A 27 1.559 -4.072 9.102 1.00 0.00 H new ATOM 0 HB ILE A 27 2.081 -1.490 10.554 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.516 -1.824 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.596 -0.911 8.973 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.166 -2.587 11.259 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.725 -3.428 11.879 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.622 -4.100 10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.865 -2.512 7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.015 -2.933 9.301 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.918 -3.861 8.250 1.00 0.00 H new ATOM 432 N ALA A 28 -0.524 -2.793 11.270 1.00 0.00 N ATOM 433 CA ALA A 28 -1.385 -3.120 12.394 1.00 0.00 C ATOM 434 C ALA A 28 -2.590 -3.918 11.892 1.00 0.00 C ATOM 435 O ALA A 28 -3.006 -4.886 12.527 1.00 0.00 O ATOM 436 CB ALA A 28 -1.796 -1.835 13.114 1.00 0.00 C ATOM 0 H ALA A 28 -0.649 -1.852 10.897 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.855 -3.742 13.115 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.442 -2.081 13.957 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.906 -1.321 13.477 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.333 -1.186 12.422 1.00 0.00 H new ATOM 442 N GLU A 29 -3.118 -3.482 10.757 1.00 0.00 N ATOM 443 CA GLU A 29 -4.266 -4.144 10.163 1.00 0.00 C ATOM 444 C GLU A 29 -3.947 -5.615 9.885 1.00 0.00 C ATOM 445 O GLU A 29 -4.525 -6.507 10.505 1.00 0.00 O ATOM 446 CB GLU A 29 -4.711 -3.429 8.886 1.00 0.00 C ATOM 447 CG GLU A 29 -5.984 -4.060 8.319 1.00 0.00 C ATOM 448 CD GLU A 29 -6.151 -3.720 6.836 1.00 0.00 C ATOM 449 OE1 GLU A 29 -5.471 -2.771 6.392 1.00 0.00 O ATOM 450 OE2 GLU A 29 -6.955 -4.418 6.181 1.00 0.00 O ATOM 0 H GLU A 29 -2.771 -2.678 10.234 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.093 -4.100 10.872 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.887 -2.374 9.098 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.915 -3.476 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.945 -5.142 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.850 -3.704 8.877 1.00 0.00 H new ATOM 457 N GLY A 30 -3.028 -5.821 8.953 1.00 0.00 N ATOM 458 CA GLY A 30 -2.626 -7.169 8.586 1.00 0.00 C ATOM 459 C GLY A 30 -1.355 -7.147 7.733 1.00 0.00 C ATOM 460 O GLY A 30 -0.309 -7.632 8.160 1.00 0.00 O ATOM 0 H GLY A 30 -2.551 -5.079 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.454 -7.759 9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.431 -7.655 8.034 1.00 0.00 H new ATOM 464 N GLY A 31 -1.489 -6.579 6.543 1.00 0.00 N ATOM 465 CA GLY A 31 -0.365 -6.489 5.626 1.00 0.00 C ATOM 466 C GLY A 31 0.905 -6.054 6.359 1.00 0.00 C ATOM 467 O GLY A 31 0.848 -5.637 7.514 1.00 0.00 O ATOM 0 H GLY A 31 -2.358 -6.177 6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.201 -7.455 5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.594 -5.777 4.833 1.00 0.00 H new ATOM 471 N THR A 32 2.023 -6.166 5.656 1.00 0.00 N ATOM 472 CA THR A 32 3.306 -5.789 6.224 1.00 0.00 C ATOM 473 C THR A 32 4.132 -5.004 5.204 1.00 0.00 C ATOM 474 O THR A 32 3.762 -4.921 4.033 1.00 0.00 O ATOM 475 CB THR A 32 3.997 -7.062 6.716 1.00 0.00 C ATOM 476 OG1 THR A 32 3.022 -8.083 6.523 1.00 0.00 O ATOM 477 CG2 THR A 32 4.234 -7.054 8.228 1.00 0.00 C ATOM 0 H THR A 32 2.066 -6.513 4.698 1.00 0.00 H new ATOM 0 HA THR A 32 3.180 -5.120 7.075 1.00 0.00 H new ATOM 0 HB THR A 32 4.950 -7.179 6.200 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.388 -8.944 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.727 -7.980 8.524 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.866 -6.206 8.493 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.278 -6.970 8.746 1.00 0.00 H new ATOM 485 N ILE A 33 5.235 -4.449 5.684 1.00 0.00 N ATOM 486 CA ILE A 33 6.116 -3.674 4.827 1.00 0.00 C ATOM 487 C ILE A 33 7.542 -4.217 4.945 1.00 0.00 C ATOM 488 O ILE A 33 8.057 -4.385 6.050 1.00 0.00 O ATOM 489 CB ILE A 33 5.998 -2.182 5.146 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.532 -1.751 5.219 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.793 -1.342 4.145 1.00 0.00 C ATOM 492 CD1 ILE A 33 3.985 -1.431 3.827 1.00 0.00 C ATOM 0 H ILE A 33 5.539 -4.521 6.655 1.00 0.00 H new ATOM 0 HA ILE A 33 5.820 -3.778 3.783 1.00 0.00 H new ATOM 0 HB ILE A 33 6.434 -2.008 6.130 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.938 -2.544 5.674 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.438 -0.875 5.861 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.692 -0.286 4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.845 -1.626 4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.410 -1.515 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.941 -1.127 3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.566 -0.621 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.058 -2.316 3.195 1.00 0.00 H new ATOM 504 N THR A 34 8.140 -4.477 3.791 1.00 0.00 N ATOM 505 CA THR A 34 9.496 -4.997 3.752 1.00 0.00 C ATOM 506 C THR A 34 10.452 -3.951 3.174 1.00 0.00 C ATOM 507 O THR A 34 11.632 -3.925 3.520 1.00 0.00 O ATOM 508 CB THR A 34 9.476 -6.306 2.959 1.00 0.00 C ATOM 509 OG1 THR A 34 10.615 -7.017 3.437 1.00 0.00 O ATOM 510 CG2 THR A 34 9.766 -6.094 1.472 1.00 0.00 C ATOM 0 H THR A 34 7.710 -4.337 2.877 1.00 0.00 H new ATOM 0 HA THR A 34 9.867 -5.212 4.754 1.00 0.00 H new ATOM 0 HB THR A 34 8.504 -6.786 3.074 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.679 -7.880 2.977 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.740 -7.054 0.956 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.013 -5.432 1.045 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.752 -5.645 1.354 1.00 0.00 H new ATOM 518 N ASN A 35 9.906 -3.115 2.303 1.00 0.00 N ATOM 519 CA ASN A 35 10.696 -2.070 1.674 1.00 0.00 C ATOM 520 C ASN A 35 9.791 -0.881 1.345 1.00 0.00 C ATOM 521 O ASN A 35 8.572 -1.029 1.257 1.00 0.00 O ATOM 522 CB ASN A 35 11.322 -2.564 0.368 1.00 0.00 C ATOM 523 CG ASN A 35 12.849 -2.508 0.437 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.439 -2.160 1.447 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.456 -2.869 -0.691 1.00 0.00 N ATOM 0 H ASN A 35 8.927 -3.140 2.018 1.00 0.00 H new ATOM 0 HA ASN A 35 11.487 -1.782 2.366 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.001 -3.587 0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.969 -1.953 -0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.475 -2.865 -0.746 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.903 -3.150 -1.501 1.00 0.00 H new ATOM 532 N GLU A 36 10.421 0.271 1.171 1.00 0.00 N ATOM 533 CA GLU A 36 9.688 1.484 0.853 1.00 0.00 C ATOM 534 C GLU A 36 10.378 2.241 -0.284 1.00 0.00 C ATOM 535 O GLU A 36 11.497 1.902 -0.670 1.00 0.00 O ATOM 536 CB GLU A 36 9.536 2.374 2.089 1.00 0.00 C ATOM 537 CG GLU A 36 10.719 3.335 2.221 1.00 0.00 C ATOM 538 CD GLU A 36 12.018 2.573 2.490 1.00 0.00 C ATOM 539 OE1 GLU A 36 12.115 1.986 3.589 1.00 0.00 O ATOM 540 OE2 GLU A 36 12.885 2.595 1.590 1.00 0.00 O ATOM 0 H GLU A 36 11.431 0.390 1.244 1.00 0.00 H new ATOM 0 HA GLU A 36 8.688 1.203 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.608 2.941 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.466 1.753 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.820 3.921 1.307 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.532 4.039 3.032 1.00 0.00 H new ATOM 547 N TYR A 37 9.685 3.250 -0.789 1.00 0.00 N ATOM 548 CA TYR A 37 10.218 4.055 -1.874 1.00 0.00 C ATOM 549 C TYR A 37 10.070 5.549 -1.572 1.00 0.00 C ATOM 550 O TYR A 37 8.987 6.111 -1.720 1.00 0.00 O ATOM 551 CB TYR A 37 9.380 3.712 -3.107 1.00 0.00 C ATOM 552 CG TYR A 37 9.603 2.293 -3.635 1.00 0.00 C ATOM 553 CD1 TYR A 37 10.803 1.959 -4.228 1.00 0.00 C ATOM 554 CD2 TYR A 37 8.603 1.348 -3.520 1.00 0.00 C ATOM 555 CE1 TYR A 37 11.013 0.624 -4.725 1.00 0.00 C ATOM 556 CE2 TYR A 37 8.813 0.013 -4.017 1.00 0.00 C ATOM 557 CZ TYR A 37 10.008 -0.283 -4.595 1.00 0.00 C ATOM 558 OH TYR A 37 10.206 -1.543 -5.064 1.00 0.00 O ATOM 0 H TYR A 37 8.758 3.529 -0.467 1.00 0.00 H new ATOM 0 HA TYR A 37 11.278 3.848 -2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.325 3.836 -2.863 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.610 4.424 -3.900 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.585 2.699 -4.319 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.663 1.610 -3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.948 0.349 -5.191 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.039 -0.736 -3.933 1.00 0.00 H new ATOM 0 HH TYR A 37 9.404 -2.082 -4.902 1.00 0.00 H new ATOM 568 N ASN A 38 11.175 6.147 -1.154 1.00 0.00 N ATOM 569 CA ASN A 38 11.182 7.563 -0.830 1.00 0.00 C ATOM 570 C ASN A 38 12.000 8.319 -1.879 1.00 0.00 C ATOM 571 O ASN A 38 12.976 8.989 -1.547 1.00 0.00 O ATOM 572 CB ASN A 38 11.823 7.812 0.537 1.00 0.00 C ATOM 573 CG ASN A 38 11.510 6.670 1.507 1.00 0.00 C ATOM 574 OD1 ASN A 38 10.444 6.078 1.484 1.00 0.00 O ATOM 575 ND2 ASN A 38 12.495 6.395 2.356 1.00 0.00 N ATOM 0 H ASN A 38 12.072 5.677 -1.032 1.00 0.00 H new ATOM 0 HA ASN A 38 10.149 7.909 -0.813 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.902 7.912 0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.457 8.753 0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.383 5.649 3.042 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.363 6.930 2.321 1.00 0.00 H new ATOM 582 N MET A 39 11.571 8.184 -3.126 1.00 0.00 N ATOM 583 CA MET A 39 12.251 8.845 -4.226 1.00 0.00 C ATOM 584 C MET A 39 11.581 10.178 -4.564 1.00 0.00 C ATOM 585 O MET A 39 10.432 10.411 -4.191 1.00 0.00 O ATOM 586 CB MET A 39 12.231 7.938 -5.459 1.00 0.00 C ATOM 587 CG MET A 39 13.527 7.131 -5.566 1.00 0.00 C ATOM 588 SD MET A 39 13.180 5.502 -6.207 1.00 0.00 S ATOM 589 CE MET A 39 13.963 5.624 -7.807 1.00 0.00 C ATOM 0 H MET A 39 10.761 7.627 -3.398 1.00 0.00 H new ATOM 0 HA MET A 39 13.280 9.042 -3.925 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.380 7.260 -5.402 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.099 8.542 -6.357 1.00 0.00 H new ATOM 0 HG2 MET A 39 14.232 7.645 -6.219 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.998 7.053 -4.586 1.00 0.00 H new ATOM 0 HE1 MET A 39 13.840 4.684 -8.345 1.00 0.00 H new ATOM 0 HE2 MET A 39 13.503 6.431 -8.377 1.00 0.00 H new ATOM 0 HE3 MET A 39 15.025 5.831 -7.677 1.00 0.00 H new ATOM 599 N PRO A 40 12.347 11.042 -5.283 1.00 0.00 N ATOM 600 CA PRO A 40 11.839 12.346 -5.674 1.00 0.00 C ATOM 601 C PRO A 40 10.838 12.222 -6.824 1.00 0.00 C ATOM 602 O PRO A 40 11.231 12.125 -7.986 1.00 0.00 O ATOM 603 CB PRO A 40 13.073 13.153 -6.045 1.00 0.00 C ATOM 604 CG PRO A 40 14.176 12.138 -6.293 1.00 0.00 C ATOM 605 CD PRO A 40 13.712 10.800 -5.741 1.00 0.00 C ATOM 0 HA PRO A 40 11.282 12.838 -4.876 1.00 0.00 H new ATOM 0 HB2 PRO A 40 12.892 13.757 -6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.347 13.839 -5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.388 12.058 -7.359 1.00 0.00 H new ATOM 0 HG3 PRO A 40 15.100 12.452 -5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.741 10.024 -6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.351 10.466 -4.923 1.00 0.00 H new ATOM 613 N GLY A 41 9.564 12.229 -6.461 1.00 0.00 N ATOM 614 CA GLY A 41 8.503 12.119 -7.449 1.00 0.00 C ATOM 615 C GLY A 41 7.796 10.766 -7.344 1.00 0.00 C ATOM 616 O GLY A 41 6.757 10.556 -7.967 1.00 0.00 O ATOM 0 H GLY A 41 9.242 12.309 -5.497 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.781 12.923 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.918 12.240 -8.449 1.00 0.00 H new ATOM 620 N MET A 42 8.387 9.884 -6.551 1.00 0.00 N ATOM 621 CA MET A 42 7.827 8.558 -6.358 1.00 0.00 C ATOM 622 C MET A 42 7.652 8.249 -4.869 1.00 0.00 C ATOM 623 O MET A 42 8.630 7.993 -4.166 1.00 0.00 O ATOM 624 CB MET A 42 8.751 7.516 -6.991 1.00 0.00 C ATOM 625 CG MET A 42 8.129 6.119 -6.923 1.00 0.00 C ATOM 626 SD MET A 42 9.220 4.928 -7.684 1.00 0.00 S ATOM 627 CE MET A 42 8.172 4.348 -9.007 1.00 0.00 C ATOM 0 H MET A 42 9.248 10.062 -6.035 1.00 0.00 H new ATOM 0 HA MET A 42 6.847 8.524 -6.835 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.946 7.781 -8.030 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.712 7.516 -6.476 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.945 5.844 -5.884 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.164 6.116 -7.430 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.702 3.593 -9.587 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.265 3.913 -8.588 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.908 5.184 -9.655 1.00 0.00 H new ATOM 637 N LYS A 43 6.402 8.282 -4.433 1.00 0.00 N ATOM 638 CA LYS A 43 6.087 8.008 -3.041 1.00 0.00 C ATOM 639 C LYS A 43 5.272 6.716 -2.952 1.00 0.00 C ATOM 640 O LYS A 43 4.043 6.750 -3.001 1.00 0.00 O ATOM 641 CB LYS A 43 5.399 9.216 -2.400 1.00 0.00 C ATOM 642 CG LYS A 43 6.418 10.120 -1.704 1.00 0.00 C ATOM 643 CD LYS A 43 5.744 11.376 -1.146 1.00 0.00 C ATOM 644 CE LYS A 43 5.633 12.460 -2.220 1.00 0.00 C ATOM 645 NZ LYS A 43 6.853 13.299 -2.237 1.00 0.00 N ATOM 0 H LYS A 43 5.595 8.494 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 43 7.000 7.849 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.866 9.783 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.656 8.876 -1.678 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.903 9.573 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.199 10.404 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.751 11.125 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.316 11.755 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.488 11.999 -3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.759 13.082 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.762 14.030 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.975 13.754 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.681 12.704 -2.442 1.00 0.00 H new ATOM 659 N GLY A 44 5.988 5.609 -2.823 1.00 0.00 N ATOM 660 CA GLY A 44 5.346 4.310 -2.726 1.00 0.00 C ATOM 661 C GLY A 44 6.110 3.391 -1.771 1.00 0.00 C ATOM 662 O GLY A 44 7.038 3.829 -1.092 1.00 0.00 O ATOM 0 H GLY A 44 7.007 5.585 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.321 4.432 -2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.294 3.852 -3.714 1.00 0.00 H new ATOM 666 N PHE A 45 5.693 2.134 -1.750 1.00 0.00 N ATOM 667 CA PHE A 45 6.326 1.149 -0.889 1.00 0.00 C ATOM 668 C PHE A 45 6.013 -0.272 -1.360 1.00 0.00 C ATOM 669 O PHE A 45 5.057 -0.488 -2.103 1.00 0.00 O ATOM 670 CB PHE A 45 5.752 1.346 0.516 1.00 0.00 C ATOM 671 CG PHE A 45 4.337 0.793 0.692 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.155 -0.493 1.097 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.260 1.586 0.445 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.841 -1.007 1.260 1.00 0.00 C ATOM 675 CE2 PHE A 45 1.947 1.072 0.609 1.00 0.00 C ATOM 676 CZ PHE A 45 1.765 -0.214 1.014 1.00 0.00 C ATOM 0 H PHE A 45 4.924 1.774 -2.316 1.00 0.00 H new ATOM 0 HA PHE A 45 7.408 1.280 -0.908 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.412 0.865 1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.747 2.411 0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.010 -1.123 1.295 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.404 2.607 0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.697 -2.029 1.580 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.092 1.702 0.412 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.766 -0.605 1.140 1.00 0.00 H new ATOM 686 N ALA A 46 6.838 -1.207 -0.908 1.00 0.00 N ATOM 687 CA ALA A 46 6.661 -2.602 -1.274 1.00 0.00 C ATOM 688 C ALA A 46 6.689 -3.463 -0.010 1.00 0.00 C ATOM 689 O ALA A 46 7.381 -3.137 0.954 1.00 0.00 O ATOM 690 CB ALA A 46 7.742 -3.007 -2.279 1.00 0.00 C ATOM 0 H ALA A 46 7.630 -1.025 -0.292 1.00 0.00 H new ATOM 0 HA ALA A 46 5.695 -2.753 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.610 -4.053 -2.554 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.662 -2.385 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.726 -2.872 -1.830 1.00 0.00 H new ATOM 696 N GLY A 47 5.927 -4.546 -0.054 1.00 0.00 N ATOM 697 CA GLY A 47 5.856 -5.457 1.076 1.00 0.00 C ATOM 698 C GLY A 47 4.787 -6.528 0.849 1.00 0.00 C ATOM 699 O GLY A 47 4.465 -6.859 -0.291 1.00 0.00 O ATOM 0 H GLY A 47 5.354 -4.813 -0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.826 -5.932 1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.630 -4.899 1.984 1.00 0.00 H new ATOM 703 N GLU A 48 4.264 -7.040 1.955 1.00 0.00 N ATOM 704 CA GLU A 48 3.238 -8.067 1.891 1.00 0.00 C ATOM 705 C GLU A 48 1.855 -7.449 2.106 1.00 0.00 C ATOM 706 O GLU A 48 1.680 -6.598 2.975 1.00 0.00 O ATOM 707 CB GLU A 48 3.507 -9.175 2.911 1.00 0.00 C ATOM 708 CG GLU A 48 2.688 -10.426 2.590 1.00 0.00 C ATOM 709 CD GLU A 48 3.592 -11.568 2.121 1.00 0.00 C ATOM 710 OE1 GLU A 48 4.005 -11.516 0.942 1.00 0.00 O ATOM 711 OE2 GLU A 48 3.850 -12.467 2.951 1.00 0.00 O ATOM 0 H GLU A 48 4.532 -6.763 2.899 1.00 0.00 H new ATOM 0 HA GLU A 48 3.264 -8.517 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.569 -9.422 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.260 -8.821 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.132 -10.737 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.955 -10.197 1.817 1.00 0.00 H new ATOM 718 N LEU A 49 0.908 -7.902 1.297 1.00 0.00 N ATOM 719 CA LEU A 49 -0.454 -7.404 1.386 1.00 0.00 C ATOM 720 C LEU A 49 -1.431 -8.564 1.188 1.00 0.00 C ATOM 721 O LEU A 49 -1.032 -9.727 1.214 1.00 0.00 O ATOM 722 CB LEU A 49 -0.667 -6.247 0.408 1.00 0.00 C ATOM 723 CG LEU A 49 -0.537 -4.839 0.996 1.00 0.00 C ATOM 724 CD1 LEU A 49 -0.027 -3.852 -0.055 1.00 0.00 C ATOM 725 CD2 LEU A 49 -1.857 -4.382 1.620 1.00 0.00 C ATOM 0 H LEU A 49 1.057 -8.609 0.577 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.644 -6.992 2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.052 -6.348 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.660 -6.346 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 49 0.203 -4.869 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.056 -2.860 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.952 -4.174 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.725 -3.818 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.738 -3.379 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.636 -4.372 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.140 -5.069 2.418 1.00 0.00 H new ATOM 737 N THR A 50 -2.692 -8.208 0.993 1.00 0.00 N ATOM 738 CA THR A 50 -3.729 -9.205 0.790 1.00 0.00 C ATOM 739 C THR A 50 -4.919 -8.593 0.048 1.00 0.00 C ATOM 740 O THR A 50 -4.860 -7.445 -0.389 1.00 0.00 O ATOM 741 CB THR A 50 -4.099 -9.787 2.155 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.107 -9.265 3.036 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.893 -11.302 2.220 1.00 0.00 C ATOM 0 H THR A 50 -3.019 -7.242 0.971 1.00 0.00 H new ATOM 0 HA THR A 50 -3.376 -10.020 0.158 1.00 0.00 H new ATOM 0 HB THR A 50 -5.139 -9.551 2.380 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.272 -9.592 3.945 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.170 -11.665 3.210 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.516 -11.787 1.468 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.846 -11.535 2.028 1.00 0.00 H new ATOM 751 N PRO A 51 -6.001 -9.409 -0.075 1.00 0.00 N ATOM 752 CA PRO A 51 -7.203 -8.960 -0.757 1.00 0.00 C ATOM 753 C PRO A 51 -7.996 -7.984 0.115 1.00 0.00 C ATOM 754 O PRO A 51 -8.590 -7.034 -0.393 1.00 0.00 O ATOM 755 CB PRO A 51 -7.972 -10.232 -1.074 1.00 0.00 C ATOM 756 CG PRO A 51 -7.407 -11.302 -0.155 1.00 0.00 C ATOM 757 CD PRO A 51 -6.107 -10.775 0.430 1.00 0.00 C ATOM 0 HA PRO A 51 -6.987 -8.402 -1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.040 -10.095 -0.904 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.849 -10.512 -2.120 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.116 -11.536 0.639 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.231 -12.225 -0.707 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.127 -10.794 1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.257 -11.381 0.116 1.00 0.00 H new ATOM 765 N GLN A 52 -7.977 -8.250 1.413 1.00 0.00 N ATOM 766 CA GLN A 52 -8.687 -7.406 2.360 1.00 0.00 C ATOM 767 C GLN A 52 -8.105 -5.991 2.349 1.00 0.00 C ATOM 768 O GLN A 52 -8.817 -5.027 2.073 1.00 0.00 O ATOM 769 CB GLN A 52 -8.644 -8.006 3.767 1.00 0.00 C ATOM 770 CG GLN A 52 -9.383 -7.113 4.766 1.00 0.00 C ATOM 771 CD GLN A 52 -9.043 -7.503 6.206 1.00 0.00 C ATOM 772 OE1 GLN A 52 -9.875 -7.974 6.963 1.00 0.00 O ATOM 773 NE2 GLN A 52 -7.774 -7.280 6.541 1.00 0.00 N ATOM 0 H GLN A 52 -7.482 -9.037 1.831 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.732 -7.350 2.056 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.095 -8.998 3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.608 -8.130 4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.115 -6.070 4.595 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.458 -7.196 4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.129 -6.883 5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.447 -7.506 7.480 1.00 0.00 H new ATOM 782 N SER A 53 -6.818 -5.913 2.652 1.00 0.00 N ATOM 783 CA SER A 53 -6.133 -4.630 2.680 1.00 0.00 C ATOM 784 C SER A 53 -6.267 -3.936 1.323 1.00 0.00 C ATOM 785 O SER A 53 -6.359 -2.712 1.256 1.00 0.00 O ATOM 786 CB SER A 53 -4.658 -4.803 3.046 1.00 0.00 C ATOM 787 OG SER A 53 -4.432 -4.651 4.444 1.00 0.00 O ATOM 0 H SER A 53 -6.231 -6.716 2.880 1.00 0.00 H new ATOM 0 HA SER A 53 -6.599 -4.009 3.445 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.320 -5.790 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.061 -4.071 2.501 1.00 0.00 H new ATOM 0 HG SER A 53 -3.668 -5.202 4.714 1.00 0.00 H new ATOM 793 N LEU A 54 -6.273 -4.748 0.276 1.00 0.00 N ATOM 794 CA LEU A 54 -6.394 -4.226 -1.074 1.00 0.00 C ATOM 795 C LEU A 54 -7.578 -3.260 -1.139 1.00 0.00 C ATOM 796 O LEU A 54 -7.394 -2.044 -1.090 1.00 0.00 O ATOM 797 CB LEU A 54 -6.479 -5.372 -2.085 1.00 0.00 C ATOM 798 CG LEU A 54 -5.350 -5.442 -3.116 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.641 -6.508 -4.175 1.00 0.00 C ATOM 800 CD2 LEU A 54 -5.092 -4.069 -3.741 1.00 0.00 C ATOM 0 H LEU A 54 -6.196 -5.763 0.336 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.504 -3.658 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.502 -6.313 -1.536 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.426 -5.291 -2.618 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.436 -5.739 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.824 -6.538 -4.896 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.737 -7.482 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.570 -6.265 -4.690 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.285 -4.147 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.997 -3.719 -4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.810 -3.362 -2.961 1.00 0.00 H new ATOM 812 N THR A 55 -8.766 -3.836 -1.249 1.00 0.00 N ATOM 813 CA THR A 55 -9.979 -3.041 -1.321 1.00 0.00 C ATOM 814 C THR A 55 -9.891 -1.846 -0.370 1.00 0.00 C ATOM 815 O THR A 55 -10.446 -0.784 -0.648 1.00 0.00 O ATOM 816 CB THR A 55 -11.166 -3.961 -1.031 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.091 -4.955 -2.050 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.512 -3.278 -1.277 1.00 0.00 C ATOM 0 H THR A 55 -8.914 -4.844 -1.290 1.00 0.00 H new ATOM 0 HA THR A 55 -10.114 -2.616 -2.316 1.00 0.00 H new ATOM 0 HB THR A 55 -11.116 -4.302 0.003 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.824 -5.596 -1.937 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.320 -3.976 -1.056 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.600 -2.404 -0.631 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.577 -2.967 -2.320 1.00 0.00 H new ATOM 826 N LYS A 56 -9.189 -2.058 0.734 1.00 0.00 N ATOM 827 CA LYS A 56 -9.022 -1.012 1.728 1.00 0.00 C ATOM 828 C LYS A 56 -8.677 0.302 1.025 1.00 0.00 C ATOM 829 O LYS A 56 -9.445 1.262 1.084 1.00 0.00 O ATOM 830 CB LYS A 56 -7.994 -1.434 2.781 1.00 0.00 C ATOM 831 CG LYS A 56 -8.392 -0.925 4.169 1.00 0.00 C ATOM 832 CD LYS A 56 -8.497 0.601 4.184 1.00 0.00 C ATOM 833 CE LYS A 56 -7.127 1.247 3.967 1.00 0.00 C ATOM 834 NZ LYS A 56 -7.263 2.713 3.816 1.00 0.00 N ATOM 0 H LYS A 56 -8.729 -2.940 0.962 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.953 -0.849 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.910 -2.521 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.012 -1.043 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.347 -1.362 4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.656 -1.250 4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.185 0.929 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.912 0.931 5.136 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.474 1.021 4.810 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.657 0.826 3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.526 3.066 3.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.200 2.936 3.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.159 3.169 4.745 1.00 0.00 H new ATOM 848 N PHE A 57 -7.522 0.304 0.375 1.00 0.00 N ATOM 849 CA PHE A 57 -7.067 1.485 -0.338 1.00 0.00 C ATOM 850 C PHE A 57 -7.491 1.436 -1.807 1.00 0.00 C ATOM 851 O PHE A 57 -7.412 2.439 -2.514 1.00 0.00 O ATOM 852 CB PHE A 57 -5.538 1.493 -0.261 1.00 0.00 C ATOM 853 CG PHE A 57 -4.906 0.100 -0.298 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.697 -0.520 -1.490 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.554 -0.518 0.862 1.00 0.00 C ATOM 856 CE1 PHE A 57 -4.111 -1.813 -1.524 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.967 -1.810 0.827 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.758 -2.431 -0.365 1.00 0.00 C ATOM 0 H PHE A 57 -6.888 -0.494 0.327 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.502 2.379 0.108 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.146 2.081 -1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.233 1.995 0.657 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -4.977 -0.029 -2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.721 -0.026 1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.946 -2.306 -2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.686 -2.300 1.747 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.312 -3.414 -0.391 1.00 0.00 H new ATOM 868 N GLN A 58 -7.932 0.258 -2.224 1.00 0.00 N ATOM 869 CA GLN A 58 -8.369 0.065 -3.595 1.00 0.00 C ATOM 870 C GLN A 58 -9.717 0.753 -3.825 1.00 0.00 C ATOM 871 O GLN A 58 -9.963 1.300 -4.900 1.00 0.00 O ATOM 872 CB GLN A 58 -8.448 -1.423 -3.941 1.00 0.00 C ATOM 873 CG GLN A 58 -7.395 -1.800 -4.984 1.00 0.00 C ATOM 874 CD GLN A 58 -8.051 -2.186 -6.312 1.00 0.00 C ATOM 875 OE1 GLN A 58 -9.229 -1.959 -6.541 1.00 0.00 O ATOM 876 NE2 GLN A 58 -7.228 -2.781 -7.170 1.00 0.00 N ATOM 0 H GLN A 58 -7.996 -0.573 -1.635 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.633 0.520 -4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.301 -2.018 -3.040 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.442 -1.659 -4.321 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.716 -0.962 -5.140 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.795 -2.632 -4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.253 -2.941 -6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.571 -3.078 -8.084 1.00 0.00 H new ATOM 885 N GLY A 59 -10.552 0.705 -2.798 1.00 0.00 N ATOM 886 CA GLY A 59 -11.868 1.317 -2.875 1.00 0.00 C ATOM 887 C GLY A 59 -11.763 2.844 -2.872 1.00 0.00 C ATOM 888 O GLY A 59 -12.385 3.513 -3.696 1.00 0.00 O ATOM 0 H GLY A 59 -10.343 0.252 -1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.375 0.985 -3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.476 0.989 -2.032 1.00 0.00 H new ATOM 892 N LEU A 60 -10.973 3.348 -1.936 1.00 0.00 N ATOM 893 CA LEU A 60 -10.780 4.784 -1.815 1.00 0.00 C ATOM 894 C LEU A 60 -9.669 5.226 -2.770 1.00 0.00 C ATOM 895 O LEU A 60 -9.377 6.416 -2.880 1.00 0.00 O ATOM 896 CB LEU A 60 -10.526 5.168 -0.357 1.00 0.00 C ATOM 897 CG LEU A 60 -9.058 5.324 0.050 1.00 0.00 C ATOM 898 CD1 LEU A 60 -8.716 6.791 0.317 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.723 4.431 1.246 1.00 0.00 C ATOM 0 H LEU A 60 -10.459 2.789 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.684 5.317 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.040 6.107 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.981 4.411 0.282 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.436 4.995 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.668 6.874 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.892 7.376 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.344 7.170 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.675 4.561 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.351 4.706 2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.904 3.389 0.984 1.00 0.00 H new ATOM 911 N GLN A 61 -9.081 4.245 -3.439 1.00 0.00 N ATOM 912 CA GLN A 61 -8.010 4.518 -4.381 1.00 0.00 C ATOM 913 C GLN A 61 -8.312 5.792 -5.173 1.00 0.00 C ATOM 914 O GLN A 61 -9.471 6.179 -5.313 1.00 0.00 O ATOM 915 CB GLN A 61 -7.787 3.330 -5.319 1.00 0.00 C ATOM 916 CG GLN A 61 -6.925 3.731 -6.517 1.00 0.00 C ATOM 917 CD GLN A 61 -6.492 2.500 -7.317 1.00 0.00 C ATOM 918 OE1 GLN A 61 -6.375 1.402 -6.801 1.00 0.00 O ATOM 919 NE2 GLN A 61 -6.265 2.746 -8.605 1.00 0.00 N ATOM 0 H GLN A 61 -9.327 3.259 -3.347 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.089 4.672 -3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.304 2.518 -4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.748 2.953 -5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.484 4.410 -7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.045 4.273 -6.171 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.382 3.690 -8.972 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.974 1.990 -9.225 1.00 0.00 H new ATOM 928 N GLY A 62 -7.249 6.407 -5.670 1.00 0.00 N ATOM 929 CA GLY A 62 -7.386 7.630 -6.444 1.00 0.00 C ATOM 930 C GLY A 62 -7.313 8.862 -5.541 1.00 0.00 C ATOM 931 O GLY A 62 -7.072 9.971 -6.016 1.00 0.00 O ATOM 0 H GLY A 62 -6.289 6.082 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.598 7.679 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.336 7.622 -6.978 1.00 0.00 H new ATOM 935 N ASP A 63 -7.525 8.627 -4.255 1.00 0.00 N ATOM 936 CA ASP A 63 -7.486 9.705 -3.280 1.00 0.00 C ATOM 937 C ASP A 63 -6.140 9.680 -2.553 1.00 0.00 C ATOM 938 O ASP A 63 -5.615 10.727 -2.175 1.00 0.00 O ATOM 939 CB ASP A 63 -8.591 9.543 -2.234 1.00 0.00 C ATOM 940 CG ASP A 63 -9.474 10.776 -2.030 1.00 0.00 C ATOM 941 OD1 ASP A 63 -10.199 11.120 -2.987 1.00 0.00 O ATOM 942 OD2 ASP A 63 -9.402 11.346 -0.919 1.00 0.00 O ATOM 0 H ASP A 63 -7.724 7.706 -3.865 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.628 10.646 -3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.225 8.705 -2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.132 9.281 -1.280 1.00 0.00 H new ATOM 947 N LEU A 64 -5.620 8.474 -2.378 1.00 0.00 N ATOM 948 CA LEU A 64 -4.346 8.300 -1.702 1.00 0.00 C ATOM 949 C LEU A 64 -3.547 7.200 -2.405 1.00 0.00 C ATOM 950 O LEU A 64 -2.532 6.739 -1.887 1.00 0.00 O ATOM 951 CB LEU A 64 -4.561 8.044 -0.209 1.00 0.00 C ATOM 952 CG LEU A 64 -5.095 6.660 0.165 1.00 0.00 C ATOM 953 CD1 LEU A 64 -6.011 6.111 -0.932 1.00 0.00 C ATOM 954 CD2 LEU A 64 -3.949 5.699 0.486 1.00 0.00 C ATOM 0 H LEU A 64 -6.058 7.608 -2.693 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.755 9.214 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.612 8.197 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.254 8.794 0.172 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.696 6.759 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.377 5.126 -0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.856 6.785 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.453 6.030 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.356 4.722 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.302 5.600 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.371 6.089 1.324 1.00 0.00 H new ATOM 966 N ILE A 65 -4.036 6.814 -3.574 1.00 0.00 N ATOM 967 CA ILE A 65 -3.381 5.778 -4.354 1.00 0.00 C ATOM 968 C ILE A 65 -3.235 6.249 -5.801 1.00 0.00 C ATOM 969 O ILE A 65 -4.221 6.334 -6.532 1.00 0.00 O ATOM 970 CB ILE A 65 -4.125 4.449 -4.212 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.930 3.857 -2.814 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.712 3.468 -5.312 1.00 0.00 C ATOM 973 CD1 ILE A 65 -3.164 2.534 -2.881 1.00 0.00 C ATOM 0 H ILE A 65 -4.878 7.200 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.375 5.596 -3.975 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.191 4.641 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.387 4.565 -2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.901 3.696 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.256 2.532 -5.187 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.945 3.896 -6.287 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.641 3.277 -5.246 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.039 2.135 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.722 1.821 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.185 2.703 -3.329 1.00 0.00 H new ATOM 985 N ASP A 66 -1.998 6.545 -6.173 1.00 0.00 N ATOM 986 CA ASP A 66 -1.712 7.006 -7.521 1.00 0.00 C ATOM 987 C ASP A 66 -1.594 5.798 -8.454 1.00 0.00 C ATOM 988 O ASP A 66 -2.008 5.861 -9.611 1.00 0.00 O ATOM 989 CB ASP A 66 -0.389 7.773 -7.571 1.00 0.00 C ATOM 990 CG ASP A 66 -0.458 9.138 -8.257 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.501 9.807 -8.085 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.532 9.483 -8.936 1.00 0.00 O ATOM 0 H ASP A 66 -1.183 6.475 -5.564 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.523 7.665 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.029 7.913 -6.552 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.349 7.160 -8.088 1.00 0.00 H new ATOM 997 N SER A 67 -1.026 4.729 -7.917 1.00 0.00 N ATOM 998 CA SER A 67 -0.847 3.510 -8.687 1.00 0.00 C ATOM 999 C SER A 67 -0.853 2.297 -7.755 1.00 0.00 C ATOM 1000 O SER A 67 -0.495 2.408 -6.583 1.00 0.00 O ATOM 1001 CB SER A 67 0.451 3.552 -9.494 1.00 0.00 C ATOM 1002 OG SER A 67 0.575 4.760 -10.242 1.00 0.00 O ATOM 0 H SER A 67 -0.683 4.681 -6.957 1.00 0.00 H new ATOM 0 HA SER A 67 -1.676 3.426 -9.389 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.301 3.455 -8.819 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.484 2.700 -10.173 1.00 0.00 H new ATOM 0 HG SER A 67 1.417 4.750 -10.743 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.265 1.165 -8.310 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.321 -0.067 -7.543 1.00 0.00 C ATOM 1010 C ILE A 68 -0.832 -1.227 -8.412 1.00 0.00 C ATOM 1011 O ILE A 68 -1.320 -1.422 -9.524 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.724 -0.277 -6.970 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.665 -1.016 -5.631 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.627 -0.990 -7.979 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.325 -0.196 -4.522 1.00 0.00 C ATOM 0 H ILE A 68 -1.563 1.077 -9.282 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.655 -0.011 -6.682 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.165 0.701 -6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.165 -1.980 -5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.627 -1.219 -5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.618 -1.127 -7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.706 -0.389 -8.885 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.201 -1.963 -8.225 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.269 -0.744 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.807 0.758 -4.417 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.370 -0.016 -4.775 1.00 0.00 H new ATOM 1027 N GLU A 69 0.127 -1.966 -7.873 1.00 0.00 N ATOM 1028 CA GLU A 69 0.688 -3.101 -8.586 1.00 0.00 C ATOM 1029 C GLU A 69 0.612 -4.360 -7.721 1.00 0.00 C ATOM 1030 O GLU A 69 1.616 -4.790 -7.155 1.00 0.00 O ATOM 1031 CB GLU A 69 2.128 -2.819 -9.020 1.00 0.00 C ATOM 1032 CG GLU A 69 2.652 -3.929 -9.933 1.00 0.00 C ATOM 1033 CD GLU A 69 4.175 -4.035 -9.847 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.840 -3.123 -10.384 1.00 0.00 O ATOM 1035 OE2 GLU A 69 4.643 -5.026 -9.245 1.00 0.00 O ATOM 0 H GLU A 69 0.530 -1.801 -6.951 1.00 0.00 H new ATOM 0 HA GLU A 69 0.098 -3.267 -9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.174 -1.863 -9.541 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.767 -2.734 -8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.201 -4.880 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.355 -3.729 -10.963 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.588 -4.917 -7.646 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.806 -6.120 -6.860 1.00 0.00 C ATOM 1044 C GLU A 70 -0.047 -7.300 -7.470 1.00 0.00 C ATOM 1045 O GLU A 70 -0.082 -7.504 -8.682 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.300 -6.432 -6.741 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.085 -5.196 -6.298 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.150 -4.824 -7.332 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -3.794 -4.799 -8.530 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -5.296 -4.572 -6.901 1.00 0.00 O ATOM 0 H GLU A 70 -1.419 -4.558 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.421 -5.948 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.679 -6.783 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.451 -7.239 -6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.559 -5.387 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.402 -4.358 -6.156 1.00 0.00 H new ATOM 1057 N ASP A 71 0.623 -8.043 -6.602 1.00 0.00 N ATOM 1058 CA ASP A 71 1.390 -9.197 -7.039 1.00 0.00 C ATOM 1059 C ASP A 71 1.058 -10.393 -6.147 1.00 0.00 C ATOM 1060 O ASP A 71 1.794 -11.379 -6.125 1.00 0.00 O ATOM 1061 CB ASP A 71 2.893 -8.930 -6.934 1.00 0.00 C ATOM 1062 CG ASP A 71 3.752 -9.648 -7.978 1.00 0.00 C ATOM 1063 OD1 ASP A 71 3.199 -9.952 -9.056 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.943 -9.876 -7.672 1.00 0.00 O ATOM 0 H ASP A 71 0.651 -7.868 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 71 1.131 -9.400 -8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.063 -7.857 -7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.231 -9.227 -5.941 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.051 -10.269 -5.432 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.490 -11.328 -4.541 1.00 0.00 C ATOM 1071 C GLY A 72 -1.271 -12.399 -5.305 1.00 0.00 C ATOM 1072 O GLY A 72 -2.003 -12.089 -6.243 1.00 0.00 O ATOM 0 H GLY A 72 -0.659 -9.450 -5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.374 -11.781 -4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.116 -10.909 -3.753 1.00 0.00 H new ATOM 1076 N ILE A 73 -1.089 -13.639 -4.873 1.00 0.00 N ATOM 1077 CA ILE A 73 -1.767 -14.758 -5.505 1.00 0.00 C ATOM 1078 C ILE A 73 -3.178 -14.887 -4.925 1.00 0.00 C ATOM 1079 O ILE A 73 -3.351 -14.947 -3.708 1.00 0.00 O ATOM 1080 CB ILE A 73 -0.932 -16.033 -5.375 1.00 0.00 C ATOM 1081 CG1 ILE A 73 -1.366 -17.080 -6.405 1.00 0.00 C ATOM 1082 CG2 ILE A 73 -0.980 -16.579 -3.948 1.00 0.00 C ATOM 1083 CD1 ILE A 73 -0.158 -17.646 -7.155 1.00 0.00 C ATOM 0 H ILE A 73 -0.482 -13.893 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.875 -14.582 -6.575 1.00 0.00 H new ATOM 0 HB ILE A 73 0.107 -15.783 -5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.899 -17.888 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.061 -16.631 -7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.378 -17.485 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.585 -15.832 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.011 -16.809 -3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.494 -18.387 -7.880 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.359 -16.839 -7.674 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.523 -18.116 -6.446 1.00 0.00 H new ATOM 1095 N VAL A 74 -4.151 -14.925 -5.823 1.00 0.00 N ATOM 1096 CA VAL A 74 -5.541 -15.045 -5.417 1.00 0.00 C ATOM 1097 C VAL A 74 -6.135 -16.321 -6.017 1.00 0.00 C ATOM 1098 O VAL A 74 -6.554 -16.330 -7.174 1.00 0.00 O ATOM 1099 CB VAL A 74 -6.312 -13.783 -5.810 1.00 0.00 C ATOM 1100 CG1 VAL A 74 -7.817 -13.976 -5.610 1.00 0.00 C ATOM 1101 CG2 VAL A 74 -5.807 -12.567 -5.031 1.00 0.00 C ATOM 0 H VAL A 74 -4.004 -14.875 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.616 -15.131 -4.333 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.135 -13.599 -6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.342 -13.065 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.163 -14.804 -6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.019 -14.197 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.372 -11.684 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.939 -12.739 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.750 -12.411 -5.245 1.00 0.00 H new ATOM 1111 N THR A 75 -6.153 -17.366 -5.204 1.00 0.00 N ATOM 1112 CA THR A 75 -6.690 -18.644 -5.640 1.00 0.00 C ATOM 1113 C THR A 75 -5.780 -19.271 -6.700 1.00 0.00 C ATOM 1114 O THR A 75 -5.586 -18.701 -7.772 1.00 0.00 O ATOM 1115 CB THR A 75 -8.122 -18.415 -6.128 1.00 0.00 C ATOM 1116 OG1 THR A 75 -8.750 -17.730 -5.047 1.00 0.00 O ATOM 1117 CG2 THR A 75 -8.913 -19.718 -6.254 1.00 0.00 C ATOM 0 H THR A 75 -5.804 -17.354 -4.245 1.00 0.00 H new ATOM 0 HA THR A 75 -6.722 -19.360 -4.819 1.00 0.00 H new ATOM 0 HB THR A 75 -8.101 -17.909 -7.093 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.683 -17.540 -5.278 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.922 -19.499 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.417 -20.377 -6.967 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.964 -20.208 -5.282 1.00 0.00 H new ATOM 1125 N THR A 76 -5.247 -20.436 -6.362 1.00 0.00 N ATOM 1126 CA THR A 76 -4.363 -21.145 -7.271 1.00 0.00 C ATOM 1127 C THR A 76 -4.857 -21.009 -8.712 1.00 0.00 C ATOM 1128 O THR A 76 -4.291 -20.250 -9.497 1.00 0.00 O ATOM 1129 CB THR A 76 -4.264 -22.597 -6.797 1.00 0.00 C ATOM 1130 OG1 THR A 76 -3.373 -22.540 -5.687 1.00 0.00 O ATOM 1131 CG2 THR A 76 -3.546 -23.495 -7.806 1.00 0.00 C ATOM 0 H THR A 76 -5.410 -20.906 -5.472 1.00 0.00 H new ATOM 0 HA THR A 76 -3.361 -20.715 -7.263 1.00 0.00 H new ATOM 0 HB THR A 76 -5.265 -22.987 -6.612 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.253 -23.440 -5.317 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.503 -24.514 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.089 -23.487 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.533 -23.125 -7.966 1.00 0.00 H new ATOM 1139 N GLN A 77 -5.909 -21.755 -9.016 1.00 0.00 N ATOM 1140 CA GLN A 77 -6.486 -21.726 -10.349 1.00 0.00 C ATOM 1141 C GLN A 77 -7.508 -20.593 -10.460 1.00 0.00 C ATOM 1142 O GLN A 77 -7.225 -19.553 -11.053 1.00 0.00 O ATOM 1143 CB GLN A 77 -7.121 -23.073 -10.700 1.00 0.00 C ATOM 1144 CG GLN A 77 -7.056 -23.333 -12.206 1.00 0.00 C ATOM 1145 CD GLN A 77 -8.275 -22.742 -12.918 1.00 0.00 C ATOM 1146 OE1 GLN A 77 -9.115 -22.087 -12.325 1.00 0.00 O ATOM 1147 NE2 GLN A 77 -8.323 -23.009 -14.221 1.00 0.00 N ATOM 0 H GLN A 77 -6.377 -22.383 -8.362 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.687 -21.540 -11.066 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.606 -23.872 -10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.160 -23.087 -10.369 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.145 -22.897 -12.615 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.007 -24.406 -12.392 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.586 -23.564 -14.655 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.097 -22.658 -14.785 1.00 0.00 H new TER 1156 GLN A 77