USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 HIS : +bothHN:sc= -0.0622! C(o=1.8!,f=-8!) USER MOD Set 1.2: A 68 HIS : +bothHN:sc= 1.84 K(o=1.8,f=-7.7!) USER MOD Set 2.1: A 52 SER OG : rot 174:sc= 2.55 USER MOD Set 2.2: A 55 SER OG : rot -80:sc= 1.17 USER MOD Set 3.1: A 33 GLN : amide:sc= -0.0318 K(o=1.4,f=-0.68) USER MOD Set 3.2: A 70 HIS : +bothHN:sc= 1.47 K(o=1.4,f=-12!) USER MOD Set 4.1: A 29 SER OG : rot -100:sc= -0.4 USER MOD Set 4.2: A 36 HIS : +bothHN:sc= 0.742 K(o=0.34,f=-7.8!) USER MOD Single : A 1 GLU N :NH3+ -178:sc= 1.18 (180deg=1.15) USER MOD Single : A 7 THR OG1 : rot 35:sc= 1.3 USER MOD Single : A 16 GLN : amide:sc= 0.896 K(o=0.9,f=0) USER MOD Single : A 28 TYR OH : rot 29:sc= 0.0471 USER MOD Single : A 34 GLN : amide:sc= 1.51 K(o=1.5,f=-11!) USER MOD Single : A 40 TYR OH : rot -47:sc= 1.24 USER MOD Single : A 46 ASN : amide:sc= -0.0207 K(o=-0.021,f=-1.3) USER MOD Single : A 48 ASN : amide:sc= 1.5 K(o=1.5,f=-7.4!) USER MOD Single : A 49 ASN : amide:sc= 0.0468 K(o=0.047,f=-3.4!) USER MOD Single : A 51 HIS : no HD1:sc= 0.89 K(o=0.89,f=-4.5!) USER MOD Single : A 65 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-4.4!) USER MOD Single : A 67 HIS : no HE2:sc= 0.05 K(o=0.05,f=-0.65) USER MOD Single : A 69 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -4.024 0.388 3.697 1.00 1.00 N ATOM 2 CA GLU A 1 -4.926 0.446 4.863 1.00 1.00 C ATOM 3 C GLU A 1 -6.344 0.102 4.414 1.00 1.00 C ATOM 4 O GLU A 1 -6.665 0.256 3.240 1.00 1.00 O ATOM 5 CB GLU A 1 -4.858 1.810 5.582 1.00 1.00 C ATOM 6 CG GLU A 1 -3.842 1.860 6.740 1.00 1.00 C ATOM 7 CD GLU A 1 -2.372 1.775 6.312 1.00 1.00 C ATOM 8 OE1 GLU A 1 -2.061 0.883 5.496 1.00 1.00 O ATOM 9 OE2 GLU A 1 -1.546 2.573 6.813 1.00 1.00 O ATOM 0 H1 GLU A 1 -3.050 0.588 4.001 1.00 1.00 H new ATOM 0 H2 GLU A 1 -4.066 -0.560 3.272 1.00 1.00 H new ATOM 0 H3 GLU A 1 -4.319 1.095 2.994 1.00 1.00 H new ATOM 0 HA GLU A 1 -4.601 -0.290 5.598 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -4.602 2.580 4.854 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -5.847 2.054 5.970 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -3.991 2.786 7.295 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -4.054 1.040 7.426 1.00 1.00 H new ATOM 18 N ALA A 2 -7.193 -0.410 5.311 1.00 1.00 N ATOM 19 CA ALA A 2 -8.560 -0.782 4.960 1.00 1.00 C ATOM 20 C ALA A 2 -9.399 0.458 4.641 1.00 1.00 C ATOM 21 O ALA A 2 -9.235 1.492 5.287 1.00 1.00 O ATOM 22 CB ALA A 2 -9.195 -1.571 6.110 1.00 1.00 C ATOM 0 H ALA A 2 -6.952 -0.575 6.288 1.00 1.00 H new ATOM 0 HA ALA A 2 -8.531 -1.409 4.069 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -10.215 -1.846 5.843 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -8.613 -2.473 6.297 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -9.209 -0.955 7.009 1.00 1.00 H new ATOM 28 N GLU A 3 -10.322 0.317 3.689 1.00 1.00 N ATOM 29 CA GLU A 3 -11.317 1.333 3.320 1.00 1.00 C ATOM 30 C GLU A 3 -12.721 0.718 3.285 1.00 1.00 C ATOM 31 O GLU A 3 -13.696 1.417 3.543 1.00 1.00 O ATOM 32 CB GLU A 3 -10.962 2.023 1.987 1.00 1.00 C ATOM 33 CG GLU A 3 -9.912 3.125 2.194 1.00 1.00 C ATOM 34 CD GLU A 3 -9.439 3.797 0.898 1.00 1.00 C ATOM 35 OE1 GLU A 3 -10.250 4.294 0.084 1.00 1.00 O ATOM 36 OE2 GLU A 3 -8.207 3.884 0.729 1.00 1.00 O ATOM 0 H GLU A 3 -10.403 -0.535 3.133 1.00 1.00 H new ATOM 0 HA GLU A 3 -11.307 2.109 4.085 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -10.583 1.284 1.282 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -11.862 2.452 1.546 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -10.327 3.887 2.854 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -9.049 2.697 2.704 1.00 1.00 H new ATOM 43 N ALA A 4 -12.843 -0.579 2.973 1.00 1.00 N ATOM 44 CA ALA A 4 -14.090 -1.329 3.032 1.00 1.00 C ATOM 45 C ALA A 4 -13.938 -2.429 4.087 1.00 1.00 C ATOM 46 O ALA A 4 -12.815 -2.750 4.480 1.00 1.00 O ATOM 47 CB ALA A 4 -14.429 -1.890 1.648 1.00 1.00 C ATOM 0 H ALA A 4 -12.052 -1.144 2.665 1.00 1.00 H new ATOM 0 HA ALA A 4 -14.920 -0.685 3.321 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -15.363 -2.450 1.701 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -14.537 -1.069 0.939 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -13.628 -2.551 1.317 1.00 1.00 H new ATOM 53 N GLU A 5 -15.053 -3.058 4.471 1.00 1.00 N ATOM 54 CA GLU A 5 -15.133 -4.074 5.525 1.00 1.00 C ATOM 55 C GLU A 5 -14.091 -5.174 5.326 1.00 1.00 C ATOM 56 O GLU A 5 -13.420 -5.585 6.274 1.00 1.00 O ATOM 57 CB GLU A 5 -16.535 -4.697 5.537 1.00 1.00 C ATOM 58 CG GLU A 5 -17.647 -3.699 5.880 1.00 1.00 C ATOM 59 CD GLU A 5 -19.012 -4.363 5.698 1.00 1.00 C ATOM 60 OE1 GLU A 5 -19.459 -4.412 4.530 1.00 1.00 O ATOM 61 OE2 GLU A 5 -19.563 -4.843 6.712 1.00 1.00 O ATOM 0 H GLU A 5 -15.958 -2.867 4.041 1.00 1.00 H new ATOM 0 HA GLU A 5 -14.932 -3.584 6.478 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -16.738 -5.133 4.559 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -16.555 -5.513 6.260 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -17.534 -3.354 6.908 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -17.571 -2.821 5.239 1.00 1.00 H new ATOM 68 N PHE A 6 -13.937 -5.652 4.086 1.00 1.00 N ATOM 69 CA PHE A 6 -12.894 -6.600 3.753 1.00 1.00 C ATOM 70 C PHE A 6 -12.417 -6.266 2.342 1.00 1.00 C ATOM 71 O PHE A 6 -12.916 -6.813 1.360 1.00 1.00 O ATOM 72 CB PHE A 6 -13.522 -8.000 3.880 1.00 1.00 C ATOM 73 CG PHE A 6 -12.630 -9.208 3.661 1.00 1.00 C ATOM 74 CD1 PHE A 6 -11.885 -9.732 4.735 1.00 1.00 C ATOM 75 CD2 PHE A 6 -12.680 -9.909 2.441 1.00 1.00 C ATOM 76 CE1 PHE A 6 -11.230 -10.970 4.604 1.00 1.00 C ATOM 77 CE2 PHE A 6 -12.028 -11.148 2.309 1.00 1.00 C ATOM 78 CZ PHE A 6 -11.326 -11.691 3.400 1.00 1.00 C ATOM 0 H PHE A 6 -14.531 -5.389 3.299 1.00 1.00 H new ATOM 0 HA PHE A 6 -12.023 -6.562 4.407 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -13.955 -8.082 4.877 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -14.346 -8.061 3.169 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -11.816 -9.182 5.662 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -13.221 -9.494 1.604 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -10.654 -11.367 5.427 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -12.066 -11.682 1.371 1.00 1.00 H new ATOM 0 HZ PHE A 6 -10.861 -12.662 3.313 1.00 1.00 H new ATOM 88 N THR A 7 -11.376 -5.437 2.263 1.00 1.00 N ATOM 89 CA THR A 7 -10.594 -5.004 1.105 1.00 1.00 C ATOM 90 C THR A 7 -9.648 -3.929 1.646 1.00 1.00 C ATOM 91 O THR A 7 -10.055 -3.102 2.468 1.00 1.00 O ATOM 92 CB THR A 7 -11.479 -4.496 -0.059 1.00 1.00 C ATOM 93 OG1 THR A 7 -11.981 -5.613 -0.760 1.00 1.00 O ATOM 94 CG2 THR A 7 -10.744 -3.638 -1.096 1.00 1.00 C ATOM 0 H THR A 7 -11.018 -5.001 3.113 1.00 1.00 H new ATOM 0 HA THR A 7 -10.043 -5.833 0.661 1.00 1.00 H new ATOM 0 HB THR A 7 -12.247 -3.877 0.406 1.00 1.00 H new ATOM 0 HG1 THR A 7 -12.150 -6.345 -0.131 1.00 1.00 H new ATOM 0 HG21 THR A 7 -11.443 -3.328 -1.873 1.00 1.00 H new ATOM 0 HG22 THR A 7 -10.328 -2.756 -0.609 1.00 1.00 H new ATOM 0 HG23 THR A 7 -9.938 -4.219 -1.544 1.00 1.00 H new ATOM 102 N ASP A 8 -8.385 -3.963 1.226 1.00 1.00 N ATOM 103 CA ASP A 8 -7.424 -2.921 1.559 1.00 1.00 C ATOM 104 C ASP A 8 -7.360 -1.987 0.356 1.00 1.00 C ATOM 105 O ASP A 8 -7.488 -2.426 -0.796 1.00 1.00 O ATOM 106 CB ASP A 8 -6.047 -3.516 1.892 1.00 1.00 C ATOM 107 CG ASP A 8 -5.071 -2.447 2.403 1.00 1.00 C ATOM 108 OD1 ASP A 8 -4.522 -1.676 1.587 1.00 1.00 O ATOM 109 OD2 ASP A 8 -4.866 -2.346 3.630 1.00 1.00 O ATOM 0 H ASP A 8 -8.003 -4.711 0.648 1.00 1.00 H new ATOM 0 HA ASP A 8 -7.734 -2.376 2.451 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -6.161 -4.295 2.646 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -5.632 -3.991 1.003 1.00 1.00 H new ATOM 114 N ALA A 9 -7.140 -0.706 0.633 1.00 1.00 N ATOM 115 CA ALA A 9 -6.908 0.372 -0.307 1.00 1.00 C ATOM 116 C ALA A 9 -5.891 -0.004 -1.378 1.00 1.00 C ATOM 117 O ALA A 9 -5.881 0.591 -2.442 1.00 1.00 O ATOM 118 CB ALA A 9 -6.381 1.555 0.469 1.00 1.00 C ATOM 0 H ALA A 9 -7.119 -0.375 1.597 1.00 1.00 H new ATOM 0 HA ALA A 9 -7.847 0.599 -0.812 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -6.196 2.385 -0.213 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -7.115 1.856 1.216 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -5.451 1.279 0.965 1.00 1.00 H new ATOM 124 N CYS A 10 -5.009 -0.965 -1.126 1.00 1.00 N ATOM 125 CA CYS A 10 -4.083 -1.491 -2.106 1.00 1.00 C ATOM 126 C CYS A 10 -4.744 -1.819 -3.464 1.00 1.00 C ATOM 127 O CYS A 10 -4.051 -1.823 -4.480 1.00 1.00 O ATOM 128 CB CYS A 10 -3.409 -2.711 -1.472 1.00 1.00 C ATOM 129 SG CYS A 10 -4.234 -4.303 -1.666 1.00 1.00 S ATOM 0 H CYS A 10 -4.921 -1.406 -0.211 1.00 1.00 H new ATOM 0 HA CYS A 10 -3.344 -0.730 -2.356 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.406 -2.797 -1.889 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -3.295 -2.518 -0.405 1.00 1.00 H new ATOM 134 N VAL A 11 -6.054 -2.104 -3.507 1.00 1.00 N ATOM 135 CA VAL A 11 -6.806 -2.335 -4.745 1.00 1.00 C ATOM 136 C VAL A 11 -7.103 -1.015 -5.495 1.00 1.00 C ATOM 137 O VAL A 11 -7.157 -1.003 -6.726 1.00 1.00 O ATOM 138 CB VAL A 11 -8.096 -3.117 -4.396 1.00 1.00 C ATOM 139 CG1 VAL A 11 -8.946 -3.446 -5.633 1.00 1.00 C ATOM 140 CG2 VAL A 11 -7.767 -4.455 -3.700 1.00 1.00 C ATOM 0 H VAL A 11 -6.628 -2.181 -2.668 1.00 1.00 H new ATOM 0 HA VAL A 11 -6.204 -2.929 -5.432 1.00 1.00 H new ATOM 0 HB VAL A 11 -8.659 -2.459 -3.734 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -9.837 -3.994 -5.327 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -9.241 -2.521 -6.128 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -8.363 -4.056 -6.323 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -8.693 -4.981 -3.467 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -7.157 -5.069 -4.362 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -7.219 -4.260 -2.778 1.00 1.00 H new ATOM 150 N LEU A 12 -7.304 0.084 -4.767 1.00 1.00 N ATOM 151 CA LEU A 12 -7.486 1.458 -5.229 1.00 1.00 C ATOM 152 C LEU A 12 -6.143 1.994 -5.746 1.00 1.00 C ATOM 153 O LEU A 12 -5.090 1.521 -5.322 1.00 1.00 O ATOM 154 CB LEU A 12 -8.103 2.241 -4.042 1.00 1.00 C ATOM 155 CG LEU A 12 -7.980 3.772 -3.955 1.00 1.00 C ATOM 156 CD1 LEU A 12 -9.257 4.507 -4.391 1.00 1.00 C ATOM 157 CD2 LEU A 12 -7.686 4.139 -2.506 1.00 1.00 C ATOM 0 H LEU A 12 -7.347 0.029 -3.749 1.00 1.00 H new ATOM 0 HA LEU A 12 -8.167 1.556 -6.074 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -9.167 2.004 -4.022 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -7.668 1.833 -3.130 1.00 1.00 H new ATOM 0 HG LEU A 12 -7.183 4.078 -4.633 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -9.104 5.583 -4.306 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -9.487 4.254 -5.426 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -10.086 4.207 -3.751 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -7.594 5.221 -2.416 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -8.500 3.790 -1.870 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -6.754 3.668 -2.193 1.00 1.00 H new ATOM 169 N PRO A 13 -6.126 2.956 -6.685 1.00 1.00 N ATOM 170 CA PRO A 13 -4.884 3.549 -7.156 1.00 1.00 C ATOM 171 C PRO A 13 -4.222 4.408 -6.072 1.00 1.00 C ATOM 172 O PRO A 13 -4.779 4.664 -5.008 1.00 1.00 O ATOM 173 CB PRO A 13 -5.246 4.349 -8.409 1.00 1.00 C ATOM 174 CG PRO A 13 -6.751 4.602 -8.304 1.00 1.00 C ATOM 175 CD PRO A 13 -7.282 3.552 -7.327 1.00 1.00 C ATOM 0 HA PRO A 13 -4.141 2.788 -7.395 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -4.691 5.286 -8.451 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.003 3.793 -9.315 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -6.954 5.610 -7.943 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -7.232 4.509 -9.278 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -7.942 4.009 -6.589 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -7.866 2.796 -7.852 1.00 1.00 H new ATOM 183 N ALA A 14 -3.009 4.878 -6.361 1.00 1.00 N ATOM 184 CA ALA A 14 -2.322 5.800 -5.470 1.00 1.00 C ATOM 185 C ALA A 14 -3.055 7.144 -5.538 1.00 1.00 C ATOM 186 O ALA A 14 -3.028 7.787 -6.590 1.00 1.00 O ATOM 187 CB ALA A 14 -0.864 5.942 -5.924 1.00 1.00 C ATOM 0 H ALA A 14 -2.487 4.634 -7.203 1.00 1.00 H new ATOM 0 HA ALA A 14 -2.322 5.438 -4.442 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -0.342 6.632 -5.261 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -0.376 4.968 -5.891 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -0.836 6.327 -6.943 1.00 1.00 H new ATOM 193 N VAL A 15 -3.693 7.578 -4.452 1.00 1.00 N ATOM 194 CA VAL A 15 -4.330 8.888 -4.407 1.00 1.00 C ATOM 195 C VAL A 15 -3.286 9.873 -3.908 1.00 1.00 C ATOM 196 O VAL A 15 -2.688 9.710 -2.845 1.00 1.00 O ATOM 197 CB VAL A 15 -5.584 8.912 -3.526 1.00 1.00 C ATOM 198 CG1 VAL A 15 -6.317 10.258 -3.606 1.00 1.00 C ATOM 199 CG2 VAL A 15 -6.560 7.794 -3.919 1.00 1.00 C ATOM 0 H VAL A 15 -3.781 7.038 -3.591 1.00 1.00 H new ATOM 0 HA VAL A 15 -4.680 9.157 -5.404 1.00 1.00 H new ATOM 0 HB VAL A 15 -5.242 8.758 -2.503 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -7.199 10.230 -2.966 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -5.652 11.055 -3.273 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -6.621 10.446 -4.636 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -7.440 7.836 -3.277 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -6.863 7.924 -4.958 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -6.071 6.827 -3.802 1.00 1.00 H new ATOM 209 N GLN A 16 -3.074 10.897 -4.718 1.00 1.00 N ATOM 210 CA GLN A 16 -2.107 11.955 -4.457 1.00 1.00 C ATOM 211 C GLN A 16 -2.669 12.968 -3.459 1.00 1.00 C ATOM 212 O GLN A 16 -1.918 13.492 -2.643 1.00 1.00 O ATOM 213 CB GLN A 16 -1.691 12.646 -5.764 1.00 1.00 C ATOM 214 CG GLN A 16 -1.117 11.655 -6.792 1.00 1.00 C ATOM 215 CD GLN A 16 -0.358 12.377 -7.901 1.00 1.00 C ATOM 216 OE1 GLN A 16 -0.846 12.535 -9.011 1.00 1.00 O ATOM 217 NE2 GLN A 16 0.856 12.824 -7.626 1.00 1.00 N ATOM 0 H GLN A 16 -3.580 11.020 -5.595 1.00 1.00 H new ATOM 0 HA GLN A 16 -1.218 11.504 -4.016 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -2.554 13.153 -6.195 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.947 13.412 -5.546 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -0.450 10.954 -6.290 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -1.927 11.069 -7.226 1.00 1.00 H new ATOM 0 HE21 GLN A 16 1.252 12.686 -6.696 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.396 13.307 -8.344 1.00 1.00 H new ATOM 226 N GLY A 17 -3.981 13.203 -3.496 1.00 1.00 N ATOM 227 CA GLY A 17 -4.659 14.218 -2.705 1.00 1.00 C ATOM 228 C GLY A 17 -4.747 15.535 -3.489 1.00 1.00 C ATOM 229 O GLY A 17 -4.166 15.637 -4.572 1.00 1.00 O ATOM 0 H GLY A 17 -4.615 12.675 -4.096 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -5.660 13.876 -2.443 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -4.122 14.379 -1.770 1.00 1.00 H new ATOM 233 N PRO A 18 -5.469 16.552 -2.989 1.00 1.00 N ATOM 234 CA PRO A 18 -5.713 17.792 -3.723 1.00 1.00 C ATOM 235 C PRO A 18 -4.570 18.818 -3.631 1.00 1.00 C ATOM 236 O PRO A 18 -4.638 19.865 -4.287 1.00 1.00 O ATOM 237 CB PRO A 18 -7.002 18.345 -3.100 1.00 1.00 C ATOM 238 CG PRO A 18 -6.918 17.891 -1.642 1.00 1.00 C ATOM 239 CD PRO A 18 -6.233 16.529 -1.746 1.00 1.00 C ATOM 0 HA PRO A 18 -5.790 17.595 -4.792 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -7.052 19.431 -3.180 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -7.889 17.948 -3.594 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -6.341 18.588 -1.035 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -7.905 17.813 -1.186 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -5.580 16.355 -0.891 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -6.967 15.724 -1.755 1.00 1.00 H new ATOM 247 N CYS A 19 -3.558 18.601 -2.786 1.00 1.00 N ATOM 248 CA CYS A 19 -2.498 19.576 -2.541 1.00 1.00 C ATOM 249 C CYS A 19 -1.465 19.649 -3.662 1.00 1.00 C ATOM 250 O CYS A 19 -1.598 19.024 -4.710 1.00 1.00 O ATOM 251 CB CYS A 19 -1.888 19.362 -1.155 1.00 1.00 C ATOM 252 SG CYS A 19 -3.041 19.978 0.082 1.00 1.00 S ATOM 0 H CYS A 19 -3.453 17.739 -2.251 1.00 1.00 H new ATOM 0 HA CYS A 19 -2.954 20.566 -2.546 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -1.686 18.304 -0.990 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -0.935 19.884 -1.077 1.00 1.00 H new ATOM 257 N ARG A 20 -0.478 20.525 -3.460 1.00 1.00 N ATOM 258 CA ARG A 20 0.576 20.848 -4.422 1.00 1.00 C ATOM 259 C ARG A 20 1.986 20.790 -3.828 1.00 1.00 C ATOM 260 O ARG A 20 2.957 21.185 -4.467 1.00 1.00 O ATOM 261 CB ARG A 20 0.257 22.174 -5.113 1.00 1.00 C ATOM 262 CG ARG A 20 -0.756 22.003 -6.267 1.00 1.00 C ATOM 263 CD ARG A 20 -2.032 22.842 -6.132 1.00 1.00 C ATOM 264 NE ARG A 20 -2.968 22.335 -5.104 1.00 1.00 N ATOM 265 CZ ARG A 20 -3.600 23.048 -4.159 1.00 1.00 C ATOM 266 NH1 ARG A 20 -3.291 24.326 -3.937 1.00 1.00 N ATOM 267 NH2 ARG A 20 -4.545 22.475 -3.425 1.00 1.00 N ATOM 0 H ARG A 20 -0.388 21.048 -2.589 1.00 1.00 H new ATOM 0 HA ARG A 20 0.586 20.068 -5.183 1.00 1.00 H new ATOM 0 HB2 ARG A 20 -0.144 22.876 -4.381 1.00 1.00 H new ATOM 0 HB3 ARG A 20 1.177 22.610 -5.502 1.00 1.00 H new ATOM 0 HG2 ARG A 20 -0.265 22.263 -7.205 1.00 1.00 H new ATOM 0 HG3 ARG A 20 -1.035 20.951 -6.334 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -1.758 23.868 -5.887 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -2.543 22.869 -7.095 1.00 1.00 H new ATOM 0 HE ARG A 20 -3.153 21.332 -5.115 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -2.563 24.778 -4.490 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -3.783 24.851 -3.214 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -4.788 21.497 -3.580 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -5.028 23.013 -2.705 1.00 1.00 H new ATOM 281 N GLY A 21 2.069 20.386 -2.570 1.00 1.00 N ATOM 282 CA GLY A 21 3.319 20.115 -1.873 1.00 1.00 C ATOM 283 C GLY A 21 3.564 18.650 -2.254 1.00 1.00 C ATOM 284 O GLY A 21 2.591 17.960 -2.554 1.00 1.00 O ATOM 0 H GLY A 21 1.245 20.233 -1.988 1.00 1.00 H new ATOM 0 HA2 GLY A 21 4.126 20.767 -2.207 1.00 1.00 H new ATOM 0 HA3 GLY A 21 3.226 20.250 -0.795 1.00 1.00 H new ATOM 288 N TRP A 22 4.786 18.120 -2.219 1.00 1.00 N ATOM 289 CA TRP A 22 5.051 16.777 -2.712 1.00 1.00 C ATOM 290 C TRP A 22 5.859 16.020 -1.668 1.00 1.00 C ATOM 291 O TRP A 22 6.969 16.410 -1.312 1.00 1.00 O ATOM 292 CB TRP A 22 5.742 16.878 -4.080 1.00 1.00 C ATOM 293 CG TRP A 22 4.990 17.653 -5.135 1.00 1.00 C ATOM 294 CD1 TRP A 22 5.521 18.663 -5.859 1.00 1.00 C ATOM 295 CD2 TRP A 22 3.587 17.562 -5.565 1.00 1.00 C ATOM 296 NE1 TRP A 22 4.557 19.216 -6.677 1.00 1.00 N ATOM 297 CE2 TRP A 22 3.341 18.585 -6.532 1.00 1.00 C ATOM 298 CE3 TRP A 22 2.479 16.754 -5.220 1.00 1.00 C ATOM 299 CZ2 TRP A 22 2.076 18.800 -7.107 1.00 1.00 C ATOM 300 CZ3 TRP A 22 1.210 16.949 -5.796 1.00 1.00 C ATOM 301 CH2 TRP A 22 1.006 17.968 -6.740 1.00 1.00 C ATOM 0 H TRP A 22 5.606 18.604 -1.853 1.00 1.00 H new ATOM 0 HA TRP A 22 4.132 16.212 -2.866 1.00 1.00 H new ATOM 0 HB2 TRP A 22 6.718 17.342 -3.940 1.00 1.00 H new ATOM 0 HB3 TRP A 22 5.919 15.869 -4.453 1.00 1.00 H new ATOM 0 HD1 TRP A 22 6.549 18.989 -5.805 1.00 1.00 H new ATOM 0 HE1 TRP A 22 4.724 19.997 -7.312 1.00 1.00 H new ATOM 0 HE3 TRP A 22 2.610 15.965 -4.494 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 1.929 19.596 -7.822 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 0.387 16.310 -5.510 1.00 1.00 H new ATOM 0 HH2 TRP A 22 0.031 18.111 -7.182 1.00 1.00 H new ATOM 312 N GLU A 23 5.253 14.952 -1.178 1.00 1.00 N ATOM 313 CA GLU A 23 5.665 14.075 -0.094 1.00 1.00 C ATOM 314 C GLU A 23 5.738 12.634 -0.654 1.00 1.00 C ATOM 315 O GLU A 23 4.709 12.103 -1.076 1.00 1.00 O ATOM 316 CB GLU A 23 4.599 14.276 1.007 1.00 1.00 C ATOM 317 CG GLU A 23 4.622 13.305 2.182 1.00 1.00 C ATOM 318 CD GLU A 23 5.859 13.394 3.071 1.00 1.00 C ATOM 319 OE1 GLU A 23 6.915 12.900 2.624 1.00 1.00 O ATOM 320 OE2 GLU A 23 5.696 13.636 4.285 1.00 1.00 O ATOM 0 H GLU A 23 4.364 14.645 -1.573 1.00 1.00 H new ATOM 0 HA GLU A 23 6.649 14.285 0.326 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.706 15.287 1.401 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.616 14.219 0.540 1.00 1.00 H new ATOM 0 HG2 GLU A 23 3.739 13.481 2.796 1.00 1.00 H new ATOM 0 HG3 GLU A 23 4.544 12.289 1.795 1.00 1.00 H new ATOM 327 N PRO A 24 6.913 11.981 -0.746 1.00 1.00 N ATOM 328 CA PRO A 24 7.043 10.616 -1.264 1.00 1.00 C ATOM 329 C PRO A 24 6.383 9.602 -0.325 1.00 1.00 C ATOM 330 O PRO A 24 6.706 9.498 0.861 1.00 1.00 O ATOM 331 CB PRO A 24 8.547 10.373 -1.418 1.00 1.00 C ATOM 332 CG PRO A 24 9.171 11.311 -0.389 1.00 1.00 C ATOM 333 CD PRO A 24 8.222 12.507 -0.389 1.00 1.00 C ATOM 0 HA PRO A 24 6.533 10.494 -2.219 1.00 1.00 H new ATOM 0 HB2 PRO A 24 8.807 9.333 -1.221 1.00 1.00 H new ATOM 0 HB3 PRO A 24 8.888 10.602 -2.428 1.00 1.00 H new ATOM 0 HG2 PRO A 24 9.233 10.846 0.595 1.00 1.00 H new ATOM 0 HG3 PRO A 24 10.184 11.600 -0.669 1.00 1.00 H new ATOM 0 HD2 PRO A 24 8.197 12.985 0.590 1.00 1.00 H new ATOM 0 HD3 PRO A 24 8.547 13.263 -1.104 1.00 1.00 H new ATOM 341 N ARG A 25 5.471 8.800 -0.869 1.00 1.00 N ATOM 342 CA ARG A 25 4.815 7.698 -0.166 1.00 1.00 C ATOM 343 C ARG A 25 4.862 6.444 -1.017 1.00 1.00 C ATOM 344 O ARG A 25 5.450 6.452 -2.097 1.00 1.00 O ATOM 345 CB ARG A 25 3.385 8.114 0.228 1.00 1.00 C ATOM 346 CG ARG A 25 3.379 9.140 1.369 1.00 1.00 C ATOM 347 CD ARG A 25 3.895 8.521 2.674 1.00 1.00 C ATOM 348 NE ARG A 25 3.842 9.479 3.788 1.00 1.00 N ATOM 349 CZ ARG A 25 4.778 10.401 4.062 1.00 1.00 C ATOM 350 NH1 ARG A 25 5.922 10.445 3.383 1.00 1.00 N ATOM 351 NH2 ARG A 25 4.543 11.302 5.010 1.00 1.00 N ATOM 0 H ARG A 25 5.159 8.900 -1.835 1.00 1.00 H new ATOM 0 HA ARG A 25 5.343 7.467 0.759 1.00 1.00 H new ATOM 0 HB2 ARG A 25 2.877 8.534 -0.640 1.00 1.00 H new ATOM 0 HB3 ARG A 25 2.821 7.232 0.531 1.00 1.00 H new ATOM 0 HG2 ARG A 25 4.000 9.993 1.098 1.00 1.00 H new ATOM 0 HG3 ARG A 25 2.367 9.517 1.517 1.00 1.00 H new ATOM 0 HD2 ARG A 25 3.299 7.642 2.921 1.00 1.00 H new ATOM 0 HD3 ARG A 25 4.921 8.181 2.535 1.00 1.00 H new ATOM 0 HE ARG A 25 3.028 9.440 4.402 1.00 1.00 H new ATOM 0 HH11 ARG A 25 6.100 9.770 2.639 1.00 1.00 H new ATOM 0 HH12 ARG A 25 6.621 11.154 3.607 1.00 1.00 H new ATOM 0 HH21 ARG A 25 3.660 11.287 5.520 1.00 1.00 H new ATOM 0 HH22 ARG A 25 5.246 12.008 5.228 1.00 1.00 H new ATOM 365 N TRP A 26 4.305 5.346 -0.518 1.00 1.00 N ATOM 366 CA TRP A 26 4.304 4.058 -1.197 1.00 1.00 C ATOM 367 C TRP A 26 2.863 3.660 -1.490 1.00 1.00 C ATOM 368 O TRP A 26 2.004 3.910 -0.655 1.00 1.00 O ATOM 369 CB TRP A 26 5.009 3.048 -0.280 1.00 1.00 C ATOM 370 CG TRP A 26 6.499 3.128 -0.310 1.00 1.00 C ATOM 371 CD1 TRP A 26 7.279 3.977 0.398 1.00 1.00 C ATOM 372 CD2 TRP A 26 7.400 2.366 -1.151 1.00 1.00 C ATOM 373 NE1 TRP A 26 8.602 3.786 0.046 1.00 1.00 N ATOM 374 CE2 TRP A 26 8.732 2.811 -0.925 1.00 1.00 C ATOM 375 CE3 TRP A 26 7.204 1.344 -2.098 1.00 1.00 C ATOM 376 CZ2 TRP A 26 9.825 2.252 -1.607 1.00 1.00 C ATOM 377 CZ3 TRP A 26 8.272 0.855 -2.861 1.00 1.00 C ATOM 378 CH2 TRP A 26 9.584 1.261 -2.577 1.00 1.00 C ATOM 0 H TRP A 26 3.833 5.327 0.386 1.00 1.00 H new ATOM 0 HA TRP A 26 4.835 4.096 -2.148 1.00 1.00 H new ATOM 0 HB2 TRP A 26 4.669 3.205 0.744 1.00 1.00 H new ATOM 0 HB3 TRP A 26 4.705 2.041 -0.566 1.00 1.00 H new ATOM 0 HD1 TRP A 26 6.923 4.692 1.125 1.00 1.00 H new ATOM 0 HE1 TRP A 26 9.384 4.300 0.452 1.00 1.00 H new ATOM 0 HE3 TRP A 26 6.216 0.931 -2.239 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 10.832 2.577 -1.391 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 8.085 0.164 -3.670 1.00 1.00 H new ATOM 0 HH2 TRP A 26 10.412 0.812 -3.104 1.00 1.00 H new ATOM 389 N ALA A 27 2.577 3.059 -2.646 1.00 1.00 N ATOM 390 CA ALA A 27 1.253 2.522 -2.957 1.00 1.00 C ATOM 391 C ALA A 27 1.430 1.154 -3.590 1.00 1.00 C ATOM 392 O ALA A 27 2.420 0.908 -4.294 1.00 1.00 O ATOM 393 CB ALA A 27 0.439 3.425 -3.890 1.00 1.00 C ATOM 0 H ALA A 27 3.259 2.931 -3.394 1.00 1.00 H new ATOM 0 HA ALA A 27 0.691 2.459 -2.025 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -0.533 2.969 -4.081 1.00 1.00 H new ATOM 0 HB2 ALA A 27 0.297 4.399 -3.421 1.00 1.00 H new ATOM 0 HB3 ALA A 27 0.973 3.550 -4.832 1.00 1.00 H new ATOM 399 N TYR A 28 0.463 0.274 -3.355 1.00 1.00 N ATOM 400 CA TYR A 28 0.423 -1.030 -3.993 1.00 1.00 C ATOM 401 C TYR A 28 -0.222 -0.892 -5.360 1.00 1.00 C ATOM 402 O TYR A 28 -1.063 -0.024 -5.593 1.00 1.00 O ATOM 403 CB TYR A 28 -0.436 -1.991 -3.184 1.00 1.00 C ATOM 404 CG TYR A 28 -0.398 -3.454 -3.628 1.00 1.00 C ATOM 405 CD1 TYR A 28 0.689 -4.275 -3.280 1.00 1.00 C ATOM 406 CD2 TYR A 28 -1.478 -4.030 -4.326 1.00 1.00 C ATOM 407 CE1 TYR A 28 0.696 -5.644 -3.598 1.00 1.00 C ATOM 408 CE2 TYR A 28 -1.505 -5.409 -4.609 1.00 1.00 C ATOM 409 CZ TYR A 28 -0.421 -6.231 -4.223 1.00 1.00 C ATOM 410 OH TYR A 28 -0.468 -7.582 -4.403 1.00 1.00 O ATOM 0 H TYR A 28 -0.313 0.448 -2.717 1.00 1.00 H new ATOM 0 HA TYR A 28 1.442 -1.409 -4.067 1.00 1.00 H new ATOM 0 HB2 TYR A 28 -0.122 -1.939 -2.141 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -1.469 -1.646 -3.223 1.00 1.00 H new ATOM 0 HD1 TYR A 28 1.533 -3.846 -2.760 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -2.297 -3.405 -4.649 1.00 1.00 H new ATOM 0 HE1 TYR A 28 1.560 -6.247 -3.362 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -2.353 -5.839 -5.121 1.00 1.00 H new ATOM 0 HH TYR A 28 0.040 -8.025 -3.692 1.00 1.00 H new ATOM 420 N SER A 29 0.275 -1.657 -6.314 1.00 1.00 N ATOM 421 CA SER A 29 -0.269 -1.796 -7.644 1.00 1.00 C ATOM 422 C SER A 29 -0.678 -3.260 -7.766 1.00 1.00 C ATOM 423 O SER A 29 0.223 -4.099 -7.815 1.00 1.00 O ATOM 424 CB SER A 29 0.822 -1.307 -8.584 1.00 1.00 C ATOM 425 OG SER A 29 0.778 0.094 -8.422 1.00 1.00 O ATOM 0 H SER A 29 1.110 -2.225 -6.171 1.00 1.00 H new ATOM 0 HA SER A 29 -1.158 -1.213 -7.884 1.00 1.00 H new ATOM 0 HB2 SER A 29 1.797 -1.714 -8.316 1.00 1.00 H new ATOM 0 HB3 SER A 29 0.627 -1.600 -9.616 1.00 1.00 H new ATOM 0 HG SER A 29 0.281 0.494 -9.166 1.00 1.00 H new ATOM 431 N PRO A 30 -1.976 -3.594 -7.877 1.00 1.00 N ATOM 432 CA PRO A 30 -2.400 -4.978 -8.042 1.00 1.00 C ATOM 433 C PRO A 30 -2.020 -5.496 -9.426 1.00 1.00 C ATOM 434 O PRO A 30 -1.643 -6.654 -9.555 1.00 1.00 O ATOM 435 CB PRO A 30 -3.908 -4.998 -7.796 1.00 1.00 C ATOM 436 CG PRO A 30 -4.359 -3.560 -8.042 1.00 1.00 C ATOM 437 CD PRO A 30 -3.126 -2.711 -7.740 1.00 1.00 C ATOM 0 HA PRO A 30 -1.902 -5.644 -7.337 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -4.410 -5.692 -8.470 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -4.139 -5.317 -6.780 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -4.694 -3.420 -9.070 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -5.194 -3.290 -7.395 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -3.055 -1.870 -8.430 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -3.178 -2.294 -6.734 1.00 1.00 H new ATOM 445 N LEU A 31 -2.018 -4.624 -10.440 1.00 1.00 N ATOM 446 CA LEU A 31 -1.559 -4.947 -11.788 1.00 1.00 C ATOM 447 C LEU A 31 -0.060 -5.268 -11.831 1.00 1.00 C ATOM 448 O LEU A 31 0.407 -5.844 -12.807 1.00 1.00 O ATOM 449 CB LEU A 31 -1.917 -3.812 -12.751 1.00 1.00 C ATOM 450 CG LEU A 31 -3.404 -3.870 -13.147 1.00 1.00 C ATOM 451 CD1 LEU A 31 -3.795 -2.537 -13.770 1.00 1.00 C ATOM 452 CD2 LEU A 31 -3.722 -4.996 -14.142 1.00 1.00 C ATOM 0 H LEU A 31 -2.341 -3.661 -10.342 1.00 1.00 H new ATOM 0 HA LEU A 31 -2.075 -5.852 -12.108 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.699 -2.852 -12.283 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -1.296 -3.880 -13.645 1.00 1.00 H new ATOM 0 HG LEU A 31 -3.973 -4.074 -12.240 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.847 -2.563 -14.056 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.635 -1.737 -13.047 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.183 -2.355 -14.654 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -4.786 -4.982 -14.380 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -3.144 -4.849 -15.055 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -3.462 -5.957 -13.699 1.00 1.00 H new ATOM 464 N LEU A 32 0.697 -4.893 -10.794 1.00 1.00 N ATOM 465 CA LEU A 32 2.107 -5.239 -10.625 1.00 1.00 C ATOM 466 C LEU A 32 2.282 -6.241 -9.474 1.00 1.00 C ATOM 467 O LEU A 32 3.395 -6.699 -9.227 1.00 1.00 O ATOM 468 CB LEU A 32 2.877 -3.943 -10.327 1.00 1.00 C ATOM 469 CG LEU A 32 3.169 -3.101 -11.583 1.00 1.00 C ATOM 470 CD1 LEU A 32 3.619 -1.692 -11.175 1.00 1.00 C ATOM 471 CD2 LEU A 32 4.259 -3.732 -12.459 1.00 1.00 C ATOM 0 H LEU A 32 0.333 -4.325 -10.029 1.00 1.00 H new ATOM 0 HA LEU A 32 2.490 -5.708 -11.532 1.00 1.00 H new ATOM 0 HB2 LEU A 32 2.303 -3.342 -9.622 1.00 1.00 H new ATOM 0 HB3 LEU A 32 3.819 -4.193 -9.839 1.00 1.00 H new ATOM 0 HG LEU A 32 2.246 -3.056 -12.162 1.00 1.00 H new ATOM 0 HD11 LEU A 32 3.824 -1.102 -12.069 1.00 1.00 H new ATOM 0 HD12 LEU A 32 2.830 -1.212 -10.596 1.00 1.00 H new ATOM 0 HD13 LEU A 32 4.523 -1.760 -10.570 1.00 1.00 H new ATOM 0 HD21 LEU A 32 4.432 -3.104 -13.333 1.00 1.00 H new ATOM 0 HD22 LEU A 32 5.182 -3.818 -11.886 1.00 1.00 H new ATOM 0 HD23 LEU A 32 3.939 -4.723 -12.781 1.00 1.00 H new ATOM 483 N GLN A 33 1.187 -6.560 -8.774 1.00 1.00 N ATOM 484 CA GLN A 33 1.057 -7.368 -7.562 1.00 1.00 C ATOM 485 C GLN A 33 2.161 -6.947 -6.575 1.00 1.00 C ATOM 486 O GLN A 33 2.732 -7.784 -5.881 1.00 1.00 O ATOM 487 CB GLN A 33 1.014 -8.863 -7.962 1.00 1.00 C ATOM 488 CG GLN A 33 0.377 -9.836 -6.939 1.00 1.00 C ATOM 489 CD GLN A 33 1.254 -10.527 -5.885 1.00 1.00 C ATOM 490 OE1 GLN A 33 0.727 -11.148 -4.964 1.00 1.00 O ATOM 491 NE2 GLN A 33 2.571 -10.513 -5.985 1.00 1.00 N ATOM 0 H GLN A 33 0.274 -6.220 -9.078 1.00 1.00 H new ATOM 0 HA GLN A 33 0.123 -7.200 -7.026 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.467 -8.949 -8.901 1.00 1.00 H new ATOM 0 HB3 GLN A 33 2.034 -9.193 -8.157 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -0.396 -9.284 -6.405 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -0.125 -10.620 -7.507 1.00 1.00 H new ATOM 0 HE21 GLN A 33 3.019 -10.001 -6.745 1.00 1.00 H new ATOM 0 HE22 GLN A 33 3.140 -11.014 -5.302 1.00 1.00 H new ATOM 500 N GLN A 34 2.510 -5.654 -6.529 1.00 1.00 N ATOM 501 CA GLN A 34 3.636 -5.174 -5.733 1.00 1.00 C ATOM 502 C GLN A 34 3.534 -3.663 -5.533 1.00 1.00 C ATOM 503 O GLN A 34 2.730 -2.979 -6.167 1.00 1.00 O ATOM 504 CB GLN A 34 4.938 -5.549 -6.482 1.00 1.00 C ATOM 505 CG GLN A 34 6.274 -5.467 -5.735 1.00 1.00 C ATOM 506 CD GLN A 34 6.212 -5.888 -4.273 1.00 1.00 C ATOM 507 OE1 GLN A 34 6.061 -5.019 -3.427 1.00 1.00 O ATOM 508 NE2 GLN A 34 6.359 -7.159 -3.949 1.00 1.00 N ATOM 0 H GLN A 34 2.020 -4.920 -7.041 1.00 1.00 H new ATOM 0 HA GLN A 34 3.633 -5.634 -4.745 1.00 1.00 H new ATOM 0 HB2 GLN A 34 4.826 -6.571 -6.845 1.00 1.00 H new ATOM 0 HB3 GLN A 34 5.011 -4.905 -7.358 1.00 1.00 H new ATOM 0 HG2 GLN A 34 7.001 -6.095 -6.249 1.00 1.00 H new ATOM 0 HG3 GLN A 34 6.643 -4.443 -5.789 1.00 1.00 H new ATOM 0 HE21 GLN A 34 6.483 -7.860 -4.679 1.00 1.00 H new ATOM 0 HE22 GLN A 34 6.348 -7.440 -2.968 1.00 1.00 H new ATOM 517 N CYS A 35 4.392 -3.135 -4.672 1.00 1.00 N ATOM 518 CA CYS A 35 4.411 -1.754 -4.227 1.00 1.00 C ATOM 519 C CYS A 35 5.476 -0.947 -4.945 1.00 1.00 C ATOM 520 O CYS A 35 6.594 -1.425 -5.173 1.00 1.00 O ATOM 521 CB CYS A 35 4.726 -1.714 -2.738 1.00 1.00 C ATOM 522 SG CYS A 35 3.561 -2.620 -1.714 1.00 1.00 S ATOM 0 H CYS A 35 5.132 -3.691 -4.244 1.00 1.00 H new ATOM 0 HA CYS A 35 3.433 -1.324 -4.443 1.00 1.00 H new ATOM 0 HB2 CYS A 35 5.725 -2.120 -2.578 1.00 1.00 H new ATOM 0 HB3 CYS A 35 4.748 -0.675 -2.411 1.00 1.00 H new ATOM 527 N HIS A 36 5.159 0.321 -5.193 1.00 1.00 N ATOM 528 CA HIS A 36 6.088 1.298 -5.763 1.00 1.00 C ATOM 529 C HIS A 36 5.948 2.657 -5.057 1.00 1.00 C ATOM 530 O HIS A 36 4.863 2.943 -4.545 1.00 1.00 O ATOM 531 CB HIS A 36 5.860 1.402 -7.286 1.00 1.00 C ATOM 532 CG HIS A 36 4.526 1.981 -7.713 1.00 1.00 C ATOM 533 ND1 HIS A 36 4.175 3.321 -7.643 1.00 1.00 N ATOM 534 CD2 HIS A 36 3.464 1.297 -8.251 1.00 1.00 C ATOM 535 CE1 HIS A 36 2.919 3.451 -8.104 1.00 1.00 C ATOM 536 NE2 HIS A 36 2.481 2.239 -8.489 1.00 1.00 N ATOM 0 H HIS A 36 4.235 0.707 -5.001 1.00 1.00 H new ATOM 0 HA HIS A 36 7.113 0.965 -5.601 1.00 1.00 H new ATOM 0 HB2 HIS A 36 6.654 2.014 -7.713 1.00 1.00 H new ATOM 0 HB3 HIS A 36 5.958 0.406 -7.718 1.00 1.00 H new ATOM 0 HD1 HIS A 36 4.768 4.077 -7.301 1.00 1.00 H new ATOM 0 HD2 HIS A 36 3.408 0.237 -8.448 1.00 1.00 H new ATOM 0 HE1 HIS A 36 2.357 4.372 -8.156 1.00 1.00 H new ATOM 0 HE2 HIS A 36 1.565 2.045 -8.894 1.00 1.00 H new ATOM 545 N PRO A 37 6.997 3.501 -5.024 1.00 1.00 N ATOM 546 CA PRO A 37 6.895 4.861 -4.495 1.00 1.00 C ATOM 547 C PRO A 37 5.926 5.695 -5.342 1.00 1.00 C ATOM 548 O PRO A 37 5.648 5.327 -6.490 1.00 1.00 O ATOM 549 CB PRO A 37 8.302 5.468 -4.584 1.00 1.00 C ATOM 550 CG PRO A 37 9.229 4.265 -4.728 1.00 1.00 C ATOM 551 CD PRO A 37 8.366 3.219 -5.430 1.00 1.00 C ATOM 0 HA PRO A 37 6.521 4.851 -3.471 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.390 6.141 -5.436 1.00 1.00 H new ATOM 0 HB3 PRO A 37 8.541 6.049 -3.693 1.00 1.00 H new ATOM 0 HG2 PRO A 37 10.115 4.511 -5.314 1.00 1.00 H new ATOM 0 HG3 PRO A 37 9.577 3.910 -3.758 1.00 1.00 H new ATOM 0 HD2 PRO A 37 8.475 3.284 -6.513 1.00 1.00 H new ATOM 0 HD3 PRO A 37 8.660 2.210 -5.140 1.00 1.00 H new ATOM 559 N PHE A 38 5.447 6.831 -4.838 1.00 1.00 N ATOM 560 CA PHE A 38 4.628 7.775 -5.582 1.00 1.00 C ATOM 561 C PHE A 38 4.723 9.129 -4.885 1.00 1.00 C ATOM 562 O PHE A 38 5.233 9.214 -3.767 1.00 1.00 O ATOM 563 CB PHE A 38 3.173 7.287 -5.705 1.00 1.00 C ATOM 564 CG PHE A 38 2.271 7.505 -4.504 1.00 1.00 C ATOM 565 CD1 PHE A 38 2.292 6.622 -3.408 1.00 1.00 C ATOM 566 CD2 PHE A 38 1.339 8.560 -4.522 1.00 1.00 C ATOM 567 CE1 PHE A 38 1.353 6.770 -2.369 1.00 1.00 C ATOM 568 CE2 PHE A 38 0.409 8.704 -3.483 1.00 1.00 C ATOM 569 CZ PHE A 38 0.402 7.800 -2.412 1.00 1.00 C ATOM 0 H PHE A 38 5.624 7.124 -3.877 1.00 1.00 H new ATOM 0 HA PHE A 38 4.996 7.865 -6.604 1.00 1.00 H new ATOM 0 HB2 PHE A 38 2.720 7.783 -6.564 1.00 1.00 H new ATOM 0 HB3 PHE A 38 3.191 6.220 -5.926 1.00 1.00 H new ATOM 0 HD1 PHE A 38 3.027 5.832 -3.364 1.00 1.00 H new ATOM 0 HD2 PHE A 38 1.341 9.263 -5.342 1.00 1.00 H new ATOM 0 HE1 PHE A 38 1.365 6.086 -1.533 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -0.305 9.514 -3.508 1.00 1.00 H new ATOM 0 HZ PHE A 38 -0.331 7.896 -1.625 1.00 1.00 H new ATOM 579 N VAL A 39 4.240 10.180 -5.543 1.00 1.00 N ATOM 580 CA VAL A 39 4.195 11.516 -4.978 1.00 1.00 C ATOM 581 C VAL A 39 2.790 11.726 -4.421 1.00 1.00 C ATOM 582 O VAL A 39 1.816 11.747 -5.175 1.00 1.00 O ATOM 583 CB VAL A 39 4.586 12.539 -6.065 1.00 1.00 C ATOM 584 CG1 VAL A 39 4.228 13.968 -5.658 1.00 1.00 C ATOM 585 CG2 VAL A 39 6.094 12.464 -6.351 1.00 1.00 C ATOM 0 H VAL A 39 3.867 10.122 -6.491 1.00 1.00 H new ATOM 0 HA VAL A 39 4.907 11.650 -4.163 1.00 1.00 H new ATOM 0 HB VAL A 39 4.022 12.284 -6.962 1.00 1.00 H new ATOM 0 HG11 VAL A 39 4.520 14.656 -6.451 1.00 1.00 H new ATOM 0 HG12 VAL A 39 3.153 14.041 -5.492 1.00 1.00 H new ATOM 0 HG13 VAL A 39 4.755 14.228 -4.740 1.00 1.00 H new ATOM 0 HG21 VAL A 39 6.355 13.191 -7.120 1.00 1.00 H new ATOM 0 HG22 VAL A 39 6.649 12.685 -5.439 1.00 1.00 H new ATOM 0 HG23 VAL A 39 6.349 11.462 -6.697 1.00 1.00 H new ATOM 595 N TYR A 40 2.699 11.851 -3.105 1.00 1.00 N ATOM 596 CA TYR A 40 1.507 12.189 -2.349 1.00 1.00 C ATOM 597 C TYR A 40 1.620 13.690 -2.038 1.00 1.00 C ATOM 598 O TYR A 40 2.702 14.266 -2.169 1.00 1.00 O ATOM 599 CB TYR A 40 1.461 11.261 -1.126 1.00 1.00 C ATOM 600 CG TYR A 40 0.626 11.716 0.043 1.00 1.00 C ATOM 601 CD1 TYR A 40 -0.773 11.828 -0.059 1.00 1.00 C ATOM 602 CD2 TYR A 40 1.274 12.023 1.251 1.00 1.00 C ATOM 603 CE1 TYR A 40 -1.516 12.284 1.044 1.00 1.00 C ATOM 604 CE2 TYR A 40 0.534 12.426 2.368 1.00 1.00 C ATOM 605 CZ TYR A 40 -0.865 12.578 2.265 1.00 1.00 C ATOM 606 OH TYR A 40 -1.563 13.042 3.328 1.00 1.00 O ATOM 0 H TYR A 40 3.508 11.710 -2.501 1.00 1.00 H new ATOM 0 HA TYR A 40 0.562 12.037 -2.871 1.00 1.00 H new ATOM 0 HB2 TYR A 40 1.089 10.289 -1.451 1.00 1.00 H new ATOM 0 HB3 TYR A 40 2.482 11.110 -0.776 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -1.273 11.565 -0.979 1.00 1.00 H new ATOM 0 HD2 TYR A 40 2.349 11.948 1.318 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -2.585 12.410 0.959 1.00 1.00 H new ATOM 0 HE2 TYR A 40 1.032 12.620 3.306 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.155 13.767 3.039 1.00 1.00 H new ATOM 616 N GLY A 41 0.526 14.344 -1.642 1.00 1.00 N ATOM 617 CA GLY A 41 0.496 15.788 -1.458 1.00 1.00 C ATOM 618 C GLY A 41 0.512 16.290 -0.018 1.00 1.00 C ATOM 619 O GLY A 41 0.438 17.500 0.189 1.00 1.00 O ATOM 0 H GLY A 41 -0.362 13.883 -1.441 1.00 1.00 H new ATOM 0 HA2 GLY A 41 1.353 16.216 -1.978 1.00 1.00 H new ATOM 0 HA3 GLY A 41 -0.399 16.176 -1.945 1.00 1.00 H new ATOM 623 N GLY A 42 0.582 15.401 0.976 1.00 1.00 N ATOM 624 CA GLY A 42 0.726 15.769 2.387 1.00 1.00 C ATOM 625 C GLY A 42 -0.541 16.306 3.060 1.00 1.00 C ATOM 626 O GLY A 42 -0.497 16.654 4.234 1.00 1.00 O ATOM 0 H GLY A 42 0.540 14.394 0.822 1.00 1.00 H new ATOM 0 HA2 GLY A 42 1.067 14.894 2.940 1.00 1.00 H new ATOM 0 HA3 GLY A 42 1.508 16.523 2.470 1.00 1.00 H new ATOM 630 N CYS A 43 -1.655 16.355 2.335 1.00 1.00 N ATOM 631 CA CYS A 43 -2.995 16.713 2.783 1.00 1.00 C ATOM 632 C CYS A 43 -3.945 15.571 2.402 1.00 1.00 C ATOM 633 O CYS A 43 -3.453 14.482 2.093 1.00 1.00 O ATOM 634 CB CYS A 43 -3.382 18.111 2.320 1.00 1.00 C ATOM 635 SG CYS A 43 -3.967 18.276 0.628 1.00 1.00 S ATOM 0 H CYS A 43 -1.642 16.127 1.341 1.00 1.00 H new ATOM 0 HA CYS A 43 -3.053 16.804 3.868 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -4.160 18.485 2.986 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -2.516 18.761 2.444 1.00 1.00 H new ATOM 640 N GLU A 44 -5.257 15.738 2.579 1.00 1.00 N ATOM 641 CA GLU A 44 -6.304 14.727 2.399 1.00 1.00 C ATOM 642 C GLU A 44 -5.982 13.728 1.276 1.00 1.00 C ATOM 643 O GLU A 44 -5.602 14.104 0.166 1.00 1.00 O ATOM 644 CB GLU A 44 -7.647 15.385 2.051 1.00 1.00 C ATOM 645 CG GLU A 44 -8.079 16.475 3.033 1.00 1.00 C ATOM 646 CD GLU A 44 -7.474 17.833 2.661 1.00 1.00 C ATOM 647 OE1 GLU A 44 -7.945 18.454 1.683 1.00 1.00 O ATOM 648 OE2 GLU A 44 -6.469 18.190 3.316 1.00 1.00 O ATOM 0 H GLU A 44 -5.642 16.637 2.870 1.00 1.00 H new ATOM 0 HA GLU A 44 -6.359 14.195 3.348 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -7.581 15.816 1.052 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -8.418 14.616 2.016 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -9.166 16.549 3.041 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -7.770 16.201 4.042 1.00 1.00 H new ATOM 655 N GLY A 45 -6.167 12.440 1.552 1.00 1.00 N ATOM 656 CA GLY A 45 -5.839 11.346 0.658 1.00 1.00 C ATOM 657 C GLY A 45 -6.480 10.072 1.197 1.00 1.00 C ATOM 658 O GLY A 45 -7.002 10.070 2.314 1.00 1.00 O ATOM 0 H GLY A 45 -6.564 12.124 2.437 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -6.203 11.557 -0.348 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -4.758 11.226 0.587 1.00 1.00 H new ATOM 662 N ASN A 46 -6.419 8.994 0.419 1.00 1.00 N ATOM 663 CA ASN A 46 -7.004 7.710 0.795 1.00 1.00 C ATOM 664 C ASN A 46 -5.943 6.835 1.471 1.00 1.00 C ATOM 665 O ASN A 46 -4.799 7.242 1.692 1.00 1.00 O ATOM 666 CB ASN A 46 -7.564 6.970 -0.429 1.00 1.00 C ATOM 667 CG ASN A 46 -8.807 7.561 -1.078 1.00 1.00 C ATOM 668 OD1 ASN A 46 -8.858 8.749 -1.377 1.00 1.00 O ATOM 669 ND2 ASN A 46 -9.801 6.733 -1.364 1.00 1.00 N ATOM 0 H ASN A 46 -5.961 8.987 -0.492 1.00 1.00 H new ATOM 0 HA ASN A 46 -7.824 7.905 1.486 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -6.779 6.918 -1.183 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -7.790 5.946 -0.133 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -10.632 7.080 -1.843 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -9.735 5.749 -1.105 1.00 1.00 H new ATOM 676 N GLY A 47 -6.324 5.594 1.749 1.00 1.00 N ATOM 677 CA GLY A 47 -5.590 4.584 2.485 1.00 1.00 C ATOM 678 C GLY A 47 -4.550 3.854 1.646 1.00 1.00 C ATOM 679 O GLY A 47 -3.791 3.070 2.222 1.00 1.00 O ATOM 0 H GLY A 47 -7.230 5.244 1.437 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -5.095 5.054 3.335 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -6.294 3.857 2.889 1.00 1.00 H new ATOM 683 N ASN A 48 -4.482 4.056 0.316 1.00 1.00 N ATOM 684 CA ASN A 48 -3.401 3.475 -0.498 1.00 1.00 C ATOM 685 C ASN A 48 -2.233 4.450 -0.444 1.00 1.00 C ATOM 686 O ASN A 48 -1.735 4.948 -1.455 1.00 1.00 O ATOM 687 CB ASN A 48 -3.773 3.081 -1.940 1.00 1.00 C ATOM 688 CG ASN A 48 -2.685 2.165 -2.544 1.00 1.00 C ATOM 689 OD1 ASN A 48 -1.672 1.839 -1.932 1.00 1.00 O ATOM 690 ND2 ASN A 48 -2.848 1.659 -3.749 1.00 1.00 N ATOM 0 H ASN A 48 -5.156 4.611 -0.211 1.00 1.00 H new ATOM 0 HA ASN A 48 -3.142 2.508 -0.066 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -4.735 2.568 -1.947 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -3.885 3.976 -2.551 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -2.148 1.025 -4.135 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -3.674 1.901 -4.296 1.00 1.00 H new ATOM 697 N ASN A 49 -1.863 4.780 0.789 1.00 1.00 N ATOM 698 CA ASN A 49 -0.727 5.581 1.137 1.00 1.00 C ATOM 699 C ASN A 49 -0.076 4.746 2.220 1.00 1.00 C ATOM 700 O ASN A 49 -0.580 4.639 3.339 1.00 1.00 O ATOM 701 CB ASN A 49 -1.255 6.927 1.663 1.00 1.00 C ATOM 702 CG ASN A 49 -0.175 7.895 2.119 1.00 1.00 C ATOM 703 OD1 ASN A 49 0.822 7.537 2.742 1.00 1.00 O ATOM 704 ND2 ASN A 49 -0.362 9.170 1.820 1.00 1.00 N ATOM 0 H ASN A 49 -2.387 4.471 1.608 1.00 1.00 H new ATOM 0 HA ASN A 49 -0.029 5.814 0.333 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -1.844 7.403 0.879 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -1.930 6.737 2.497 1.00 1.00 H new ATOM 0 HD21 ASN A 49 0.325 9.867 2.107 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -1.193 9.456 1.302 1.00 1.00 H new ATOM 711 N PHE A 50 1.100 4.232 1.904 1.00 1.00 N ATOM 712 CA PHE A 50 1.901 3.423 2.782 1.00 1.00 C ATOM 713 C PHE A 50 3.069 4.285 3.166 1.00 1.00 C ATOM 714 O PHE A 50 3.546 5.158 2.427 1.00 1.00 O ATOM 715 CB PHE A 50 2.289 2.084 2.152 1.00 1.00 C ATOM 716 CG PHE A 50 1.085 1.183 1.961 1.00 1.00 C ATOM 717 CD1 PHE A 50 0.468 0.592 3.079 1.00 1.00 C ATOM 718 CD2 PHE A 50 0.537 0.975 0.683 1.00 1.00 C ATOM 719 CE1 PHE A 50 -0.676 -0.204 2.912 1.00 1.00 C ATOM 720 CE2 PHE A 50 -0.592 0.153 0.516 1.00 1.00 C ATOM 721 CZ PHE A 50 -1.205 -0.432 1.633 1.00 1.00 C ATOM 0 H PHE A 50 1.532 4.377 0.992 1.00 1.00 H new ATOM 0 HA PHE A 50 1.350 3.119 3.672 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.768 2.260 1.189 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.021 1.583 2.785 1.00 1.00 H new ATOM 0 HD1 PHE A 50 0.875 0.751 4.067 1.00 1.00 H new ATOM 0 HD2 PHE A 50 0.986 1.450 -0.177 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -1.153 -0.644 3.775 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -0.987 -0.028 -0.473 1.00 1.00 H new ATOM 0 HZ PHE A 50 -2.079 -1.054 1.509 1.00 1.00 H new ATOM 731 N HIS A 51 3.612 3.917 4.308 1.00 1.00 N ATOM 732 CA HIS A 51 4.649 4.671 4.972 1.00 1.00 C ATOM 733 C HIS A 51 6.036 4.191 4.593 1.00 1.00 C ATOM 734 O HIS A 51 7.024 4.880 4.819 1.00 1.00 O ATOM 735 CB HIS A 51 4.389 4.523 6.470 1.00 1.00 C ATOM 736 CG HIS A 51 2.903 4.599 6.793 1.00 1.00 C ATOM 737 ND1 HIS A 51 2.012 5.606 6.431 1.00 1.00 N ATOM 738 CD2 HIS A 51 2.166 3.474 7.026 1.00 1.00 C ATOM 739 CE1 HIS A 51 0.767 5.082 6.457 1.00 1.00 C ATOM 740 NE2 HIS A 51 0.835 3.797 6.845 1.00 1.00 N ATOM 0 H HIS A 51 3.339 3.071 4.807 1.00 1.00 H new ATOM 0 HA HIS A 51 4.619 5.718 4.669 1.00 1.00 H new ATOM 0 HB2 HIS A 51 4.789 3.570 6.816 1.00 1.00 H new ATOM 0 HB3 HIS A 51 4.920 5.307 7.011 1.00 1.00 H new ATOM 0 HD2 HIS A 51 2.554 2.505 7.302 1.00 1.00 H new ATOM 0 HE1 HIS A 51 -0.140 5.612 6.206 1.00 1.00 H new ATOM 0 HE2 HIS A 51 0.042 3.170 6.982 1.00 1.00 H new ATOM 749 N SER A 52 6.089 3.028 3.968 1.00 1.00 N ATOM 750 CA SER A 52 7.308 2.345 3.605 1.00 1.00 C ATOM 751 C SER A 52 6.981 1.229 2.622 1.00 1.00 C ATOM 752 O SER A 52 5.822 0.874 2.395 1.00 1.00 O ATOM 753 CB SER A 52 7.953 1.772 4.883 1.00 1.00 C ATOM 754 OG SER A 52 6.975 1.121 5.675 1.00 1.00 O ATOM 0 H SER A 52 5.250 2.518 3.691 1.00 1.00 H new ATOM 0 HA SER A 52 8.007 3.034 3.131 1.00 1.00 H new ATOM 0 HB2 SER A 52 8.743 1.069 4.617 1.00 1.00 H new ATOM 0 HB3 SER A 52 8.419 2.574 5.455 1.00 1.00 H new ATOM 0 HG SER A 52 7.410 0.676 6.432 1.00 1.00 H new ATOM 760 N ARG A 53 8.039 0.668 2.040 1.00 1.00 N ATOM 761 CA ARG A 53 7.941 -0.507 1.181 1.00 1.00 C ATOM 762 C ARG A 53 7.452 -1.676 2.036 1.00 1.00 C ATOM 763 O ARG A 53 6.591 -2.429 1.605 1.00 1.00 O ATOM 764 CB ARG A 53 9.309 -0.777 0.560 1.00 1.00 C ATOM 765 CG ARG A 53 9.343 -2.055 -0.274 1.00 1.00 C ATOM 766 CD ARG A 53 8.386 -2.128 -1.467 1.00 1.00 C ATOM 767 NE ARG A 53 8.432 -3.487 -2.014 1.00 1.00 N ATOM 768 CZ ARG A 53 8.827 -3.919 -3.211 1.00 1.00 C ATOM 769 NH1 ARG A 53 8.818 -3.123 -4.281 1.00 1.00 N ATOM 770 NH2 ARG A 53 9.242 -5.176 -3.306 1.00 1.00 N ATOM 0 H ARG A 53 8.991 1.018 2.152 1.00 1.00 H new ATOM 0 HA ARG A 53 7.233 -0.357 0.366 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.590 0.068 -0.068 1.00 1.00 H new ATOM 0 HB3 ARG A 53 10.054 -0.847 1.352 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.359 -2.191 -0.645 1.00 1.00 H new ATOM 0 HG3 ARG A 53 9.129 -2.896 0.385 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.372 -1.879 -1.155 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.673 -1.403 -2.228 1.00 1.00 H new ATOM 0 HE ARG A 53 8.111 -4.217 -1.378 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.503 -2.157 -4.195 1.00 1.00 H new ATOM 0 HH12 ARG A 53 9.126 -3.481 -5.185 1.00 1.00 H new ATOM 0 HH21 ARG A 53 9.251 -5.774 -2.480 1.00 1.00 H new ATOM 0 HH22 ARG A 53 9.552 -5.544 -4.205 1.00 1.00 H new ATOM 784 N GLU A 54 8.019 -1.775 3.236 1.00 1.00 N ATOM 785 CA GLU A 54 7.699 -2.689 4.319 1.00 1.00 C ATOM 786 C GLU A 54 6.207 -2.710 4.601 1.00 1.00 C ATOM 787 O GLU A 54 5.562 -3.714 4.310 1.00 1.00 O ATOM 788 CB GLU A 54 8.561 -2.210 5.504 1.00 1.00 C ATOM 789 CG GLU A 54 8.168 -2.585 6.945 1.00 1.00 C ATOM 790 CD GLU A 54 7.410 -1.427 7.614 1.00 1.00 C ATOM 791 OE1 GLU A 54 7.920 -0.283 7.547 1.00 1.00 O ATOM 792 OE2 GLU A 54 6.258 -1.638 8.034 1.00 1.00 O ATOM 0 H GLU A 54 8.787 -1.156 3.495 1.00 1.00 H new ATOM 0 HA GLU A 54 7.927 -3.729 4.084 1.00 1.00 H new ATOM 0 HB2 GLU A 54 9.573 -2.579 5.338 1.00 1.00 H new ATOM 0 HB3 GLU A 54 8.606 -1.122 5.453 1.00 1.00 H new ATOM 0 HG2 GLU A 54 7.545 -3.479 6.937 1.00 1.00 H new ATOM 0 HG3 GLU A 54 9.062 -2.824 7.522 1.00 1.00 H new ATOM 799 N SER A 55 5.667 -1.594 5.084 1.00 1.00 N ATOM 800 CA SER A 55 4.264 -1.545 5.512 1.00 1.00 C ATOM 801 C SER A 55 3.316 -1.918 4.370 1.00 1.00 C ATOM 802 O SER A 55 2.315 -2.597 4.581 1.00 1.00 O ATOM 803 CB SER A 55 3.902 -0.190 6.149 1.00 1.00 C ATOM 804 OG SER A 55 4.316 0.940 5.390 1.00 1.00 O ATOM 0 H SER A 55 6.173 -0.714 5.190 1.00 1.00 H new ATOM 0 HA SER A 55 4.137 -2.297 6.291 1.00 1.00 H new ATOM 0 HB2 SER A 55 2.822 -0.144 6.289 1.00 1.00 H new ATOM 0 HB3 SER A 55 4.354 -0.134 7.139 1.00 1.00 H new ATOM 0 HG SER A 55 5.270 1.104 5.542 1.00 1.00 H new ATOM 810 N CYS A 56 3.661 -1.519 3.146 1.00 1.00 N ATOM 811 CA CYS A 56 2.892 -1.829 1.957 1.00 1.00 C ATOM 812 C CYS A 56 2.900 -3.307 1.636 1.00 1.00 C ATOM 813 O CYS A 56 1.841 -3.903 1.447 1.00 1.00 O ATOM 814 CB CYS A 56 3.516 -1.056 0.791 1.00 1.00 C ATOM 815 SG CYS A 56 2.592 -1.123 -0.758 1.00 1.00 S ATOM 0 H CYS A 56 4.496 -0.964 2.958 1.00 1.00 H new ATOM 0 HA CYS A 56 1.853 -1.544 2.126 1.00 1.00 H new ATOM 0 HB2 CYS A 56 3.625 -0.012 1.085 1.00 1.00 H new ATOM 0 HB3 CYS A 56 4.519 -1.444 0.614 1.00 1.00 H new ATOM 820 N GLU A 57 4.092 -3.889 1.549 1.00 1.00 N ATOM 821 CA GLU A 57 4.210 -5.314 1.304 1.00 1.00 C ATOM 822 C GLU A 57 3.539 -6.101 2.415 1.00 1.00 C ATOM 823 O GLU A 57 3.077 -7.211 2.151 1.00 1.00 O ATOM 824 CB GLU A 57 5.658 -5.778 1.096 1.00 1.00 C ATOM 825 CG GLU A 57 6.099 -5.486 -0.341 1.00 1.00 C ATOM 826 CD GLU A 57 7.218 -6.419 -0.803 1.00 1.00 C ATOM 827 OE1 GLU A 57 6.908 -7.558 -1.222 1.00 1.00 O ATOM 828 OE2 GLU A 57 8.388 -5.971 -0.838 1.00 1.00 O ATOM 0 H GLU A 57 4.980 -3.397 1.644 1.00 1.00 H new ATOM 0 HA GLU A 57 3.694 -5.512 0.364 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.317 -5.267 1.798 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.740 -6.845 1.301 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.244 -5.588 -1.009 1.00 1.00 H new ATOM 0 HG3 GLU A 57 6.438 -4.452 -0.412 1.00 1.00 H new ATOM 835 N ASP A 58 3.553 -5.627 3.660 1.00 1.00 N ATOM 836 CA ASP A 58 2.860 -6.341 4.720 1.00 1.00 C ATOM 837 C ASP A 58 1.341 -6.165 4.618 1.00 1.00 C ATOM 838 O ASP A 58 0.617 -7.108 4.966 1.00 1.00 O ATOM 839 CB ASP A 58 3.388 -5.998 6.115 1.00 1.00 C ATOM 840 CG ASP A 58 3.000 -7.144 7.053 1.00 1.00 C ATOM 841 OD1 ASP A 58 3.453 -8.283 6.792 1.00 1.00 O ATOM 842 OD2 ASP A 58 2.199 -6.981 7.997 1.00 1.00 O ATOM 0 H ASP A 58 4.026 -4.771 3.951 1.00 1.00 H new ATOM 0 HA ASP A 58 3.076 -7.399 4.572 1.00 1.00 H new ATOM 0 HB2 ASP A 58 4.470 -5.871 6.094 1.00 1.00 H new ATOM 0 HB3 ASP A 58 2.963 -5.057 6.464 1.00 1.00 H new ATOM 847 N ALA A 59 0.842 -5.036 4.083 1.00 1.00 N ATOM 848 CA ALA A 59 -0.587 -4.848 3.868 1.00 1.00 C ATOM 849 C ALA A 59 -1.069 -5.739 2.723 1.00 1.00 C ATOM 850 O ALA A 59 -1.884 -6.638 2.949 1.00 1.00 O ATOM 851 CB ALA A 59 -0.893 -3.374 3.604 1.00 1.00 C ATOM 0 H ALA A 59 1.416 -4.244 3.794 1.00 1.00 H new ATOM 0 HA ALA A 59 -1.128 -5.142 4.768 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -1.964 -3.248 3.445 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -0.581 -2.778 4.462 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -0.353 -3.044 2.717 1.00 1.00 H new ATOM 857 N CYS A 60 -0.542 -5.538 1.511 1.00 1.00 N ATOM 858 CA CYS A 60 -0.855 -6.328 0.331 1.00 1.00 C ATOM 859 C CYS A 60 0.433 -6.994 -0.158 1.00 1.00 C ATOM 860 O CYS A 60 1.267 -6.355 -0.792 1.00 1.00 O ATOM 861 CB CYS A 60 -1.605 -5.504 -0.705 1.00 1.00 C ATOM 862 SG CYS A 60 -3.339 -5.350 -0.191 1.00 1.00 S ATOM 0 H CYS A 60 0.134 -4.797 1.326 1.00 1.00 H new ATOM 0 HA CYS A 60 -1.553 -7.132 0.565 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -1.152 -4.518 -0.802 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -1.543 -5.981 -1.683 1.00 1.00 H new ATOM 867 N PRO A 61 0.619 -8.277 0.181 1.00 1.00 N ATOM 868 CA PRO A 61 1.833 -9.027 -0.078 1.00 1.00 C ATOM 869 C PRO A 61 1.786 -9.805 -1.404 1.00 1.00 C ATOM 870 O PRO A 61 0.996 -9.574 -2.321 1.00 1.00 O ATOM 871 CB PRO A 61 1.873 -9.985 1.143 1.00 1.00 C ATOM 872 CG PRO A 61 0.413 -10.388 1.297 1.00 1.00 C ATOM 873 CD PRO A 61 -0.262 -9.052 1.050 1.00 1.00 C ATOM 0 HA PRO A 61 2.713 -8.393 -0.186 1.00 1.00 H new ATOM 0 HB2 PRO A 61 2.514 -10.847 0.961 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.253 -9.488 2.036 1.00 1.00 H new ATOM 0 HG2 PRO A 61 0.112 -11.146 0.574 1.00 1.00 H new ATOM 0 HG3 PRO A 61 0.194 -10.788 2.287 1.00 1.00 H new ATOM 0 HD2 PRO A 61 -1.236 -9.194 0.582 1.00 1.00 H new ATOM 0 HD3 PRO A 61 -0.433 -8.528 1.990 1.00 1.00 H new ATOM 881 N VAL A 62 2.738 -10.724 -1.422 1.00 1.00 N ATOM 882 CA VAL A 62 3.159 -11.833 -2.256 1.00 1.00 C ATOM 883 C VAL A 62 2.636 -12.926 -1.308 1.00 1.00 C ATOM 884 O VAL A 62 1.540 -12.781 -0.744 1.00 1.00 O ATOM 885 CB VAL A 62 4.689 -11.779 -2.495 1.00 1.00 C ATOM 886 CG1 VAL A 62 5.109 -12.725 -3.633 1.00 1.00 C ATOM 887 CG2 VAL A 62 5.170 -10.365 -2.873 1.00 1.00 C ATOM 0 H VAL A 62 3.395 -10.685 -0.643 1.00 1.00 H new ATOM 0 HA VAL A 62 2.805 -11.921 -3.283 1.00 1.00 H new ATOM 0 HB VAL A 62 5.145 -12.083 -1.553 1.00 1.00 H new ATOM 0 HG11 VAL A 62 6.188 -12.665 -3.777 1.00 1.00 H new ATOM 0 HG12 VAL A 62 4.834 -13.748 -3.376 1.00 1.00 H new ATOM 0 HG13 VAL A 62 4.603 -12.434 -4.554 1.00 1.00 H new ATOM 0 HG21 VAL A 62 6.248 -10.378 -3.030 1.00 1.00 H new ATOM 0 HG22 VAL A 62 4.673 -10.044 -3.789 1.00 1.00 H new ATOM 0 HG23 VAL A 62 4.929 -9.671 -2.068 1.00 1.00 H new ATOM 897 N VAL A 63 3.209 -14.120 -1.306 1.00 1.00 N ATOM 898 CA VAL A 63 2.811 -15.112 -0.285 1.00 1.00 C ATOM 899 C VAL A 63 2.829 -14.318 1.049 1.00 1.00 C ATOM 900 O VAL A 63 3.767 -13.561 1.321 1.00 1.00 O ATOM 901 CB VAL A 63 3.743 -16.331 -0.204 1.00 1.00 C ATOM 902 CG1 VAL A 63 3.016 -17.511 0.456 1.00 1.00 C ATOM 903 CG2 VAL A 63 4.309 -16.777 -1.562 1.00 1.00 C ATOM 0 H VAL A 63 3.923 -14.430 -1.965 1.00 1.00 H new ATOM 0 HA VAL A 63 1.838 -15.539 -0.528 1.00 1.00 H new ATOM 0 HB VAL A 63 4.593 -16.014 0.400 1.00 1.00 H new ATOM 0 HG11 VAL A 63 3.687 -18.369 0.508 1.00 1.00 H new ATOM 0 HG12 VAL A 63 2.707 -17.231 1.463 1.00 1.00 H new ATOM 0 HG13 VAL A 63 2.137 -17.773 -0.133 1.00 1.00 H new ATOM 0 HG21 VAL A 63 4.957 -17.642 -1.420 1.00 1.00 H new ATOM 0 HG22 VAL A 63 3.489 -17.044 -2.228 1.00 1.00 H new ATOM 0 HG23 VAL A 63 4.884 -15.962 -2.002 1.00 1.00 H new ATOM 913 N ASP A 64 1.756 -14.414 1.831 1.00 1.00 N ATOM 914 CA ASP A 64 1.610 -13.589 3.030 1.00 1.00 C ATOM 915 C ASP A 64 2.591 -13.946 4.139 1.00 1.00 C ATOM 916 O ASP A 64 2.747 -15.108 4.503 1.00 1.00 O ATOM 917 CB ASP A 64 0.176 -13.570 3.574 1.00 1.00 C ATOM 918 CG ASP A 64 0.120 -12.641 4.791 1.00 1.00 C ATOM 919 OD1 ASP A 64 0.638 -11.509 4.748 1.00 1.00 O ATOM 920 OD2 ASP A 64 -0.311 -13.071 5.882 1.00 1.00 O ATOM 0 H ASP A 64 0.978 -15.051 1.658 1.00 1.00 H new ATOM 0 HA ASP A 64 1.855 -12.582 2.693 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -0.515 -13.225 2.804 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -0.135 -14.577 3.853 1.00 1.00 H new ATOM 925 N HIS A 65 3.181 -12.913 4.741 1.00 1.00 N ATOM 926 CA HIS A 65 4.181 -12.979 5.799 1.00 1.00 C ATOM 927 C HIS A 65 3.638 -13.546 7.121 1.00 1.00 C ATOM 928 O HIS A 65 4.399 -13.654 8.077 1.00 1.00 O ATOM 929 CB HIS A 65 4.746 -11.565 6.047 1.00 1.00 C ATOM 930 CG HIS A 65 4.961 -10.728 4.804 1.00 1.00 C ATOM 931 ND1 HIS A 65 6.102 -10.657 4.020 1.00 1.00 N ATOM 932 CD2 HIS A 65 4.049 -9.842 4.303 1.00 1.00 C ATOM 933 CE1 HIS A 65 5.880 -9.727 3.064 1.00 1.00 C ATOM 934 NE2 HIS A 65 4.638 -9.225 3.221 1.00 1.00 N ATOM 0 H HIS A 65 2.958 -11.951 4.485 1.00 1.00 H new ATOM 0 HA HIS A 65 4.958 -13.664 5.459 1.00 1.00 H new ATOM 0 HB2 HIS A 65 4.066 -11.031 6.712 1.00 1.00 H new ATOM 0 HB3 HIS A 65 5.697 -11.658 6.571 1.00 1.00 H new ATOM 0 HD2 HIS A 65 3.055 -9.660 4.683 1.00 1.00 H new ATOM 0 HE1 HIS A 65 6.583 -9.434 2.299 1.00 1.00 H new ATOM 0 HE2 HIS A 65 4.207 -8.509 2.637 1.00 1.00 H new ATOM 943 N HIS A 66 2.335 -13.832 7.231 1.00 1.00 N ATOM 944 CA HIS A 66 1.699 -14.297 8.462 1.00 1.00 C ATOM 945 C HIS A 66 0.674 -15.378 8.110 1.00 1.00 C ATOM 946 O HIS A 66 0.977 -16.554 8.266 1.00 1.00 O ATOM 947 CB HIS A 66 1.156 -13.136 9.342 1.00 1.00 C ATOM 948 CG HIS A 66 1.270 -11.712 8.818 1.00 1.00 C ATOM 949 ND1 HIS A 66 0.855 -11.239 7.580 1.00 1.00 N ATOM 950 CD2 HIS A 66 1.836 -10.661 9.498 1.00 1.00 C ATOM 951 CE1 HIS A 66 1.194 -9.943 7.507 1.00 1.00 C ATOM 952 NE2 HIS A 66 1.761 -9.565 8.660 1.00 1.00 N ATOM 0 H HIS A 66 1.684 -13.744 6.451 1.00 1.00 H new ATOM 0 HA HIS A 66 2.446 -14.756 9.110 1.00 1.00 H new ATOM 0 HB2 HIS A 66 0.102 -13.334 9.538 1.00 1.00 H new ATOM 0 HB3 HIS A 66 1.672 -13.178 10.301 1.00 1.00 H new ATOM 0 HD1 HIS A 66 0.379 -11.779 6.857 1.00 1.00 H new ATOM 0 HD2 HIS A 66 2.257 -10.686 10.492 1.00 1.00 H new ATOM 0 HE1 HIS A 66 1.034 -9.304 6.651 1.00 1.00 H new ATOM 0 HE2 HIS A 66 2.084 -8.624 8.883 1.00 1.00 H new ATOM 961 N HIS A 67 -0.556 -14.989 7.754 1.00 1.00 N ATOM 962 CA HIS A 67 -1.685 -15.782 7.245 1.00 1.00 C ATOM 963 C HIS A 67 -2.954 -14.913 7.135 1.00 1.00 C ATOM 964 O HIS A 67 -4.028 -15.370 7.536 1.00 1.00 O ATOM 965 CB HIS A 67 -1.912 -17.126 7.977 1.00 1.00 C ATOM 966 CG HIS A 67 -2.157 -17.025 9.461 1.00 1.00 C ATOM 967 ND1 HIS A 67 -3.345 -16.638 10.049 1.00 1.00 N ATOM 968 CD2 HIS A 67 -1.276 -17.373 10.447 1.00 1.00 C ATOM 969 CE1 HIS A 67 -3.191 -16.755 11.384 1.00 1.00 C ATOM 970 NE2 HIS A 67 -1.939 -17.197 11.649 1.00 1.00 N ATOM 0 H HIS A 67 -0.814 -14.005 7.822 1.00 1.00 H new ATOM 0 HA HIS A 67 -1.413 -16.097 6.238 1.00 1.00 H new ATOM 0 HB2 HIS A 67 -2.764 -17.629 7.519 1.00 1.00 H new ATOM 0 HB3 HIS A 67 -1.041 -17.760 7.813 1.00 1.00 H new ATOM 0 HD1 HIS A 67 -4.184 -16.322 9.563 1.00 1.00 H new ATOM 0 HD2 HIS A 67 -0.261 -17.718 10.314 1.00 1.00 H new ATOM 0 HE1 HIS A 67 -3.946 -16.532 12.123 1.00 1.00 H new ATOM 979 N HIS A 68 -2.864 -13.637 6.734 1.00 1.00 N ATOM 980 CA HIS A 68 -4.050 -12.806 6.494 1.00 1.00 C ATOM 981 C HIS A 68 -4.542 -13.043 5.062 1.00 1.00 C ATOM 982 O HIS A 68 -3.769 -13.492 4.218 1.00 1.00 O ATOM 983 CB HIS A 68 -3.794 -11.322 6.846 1.00 1.00 C ATOM 984 CG HIS A 68 -2.836 -10.509 5.993 1.00 1.00 C ATOM 985 ND1 HIS A 68 -2.908 -10.321 4.622 1.00 1.00 N ATOM 986 CD2 HIS A 68 -1.915 -9.612 6.477 1.00 1.00 C ATOM 987 CE1 HIS A 68 -2.047 -9.348 4.291 1.00 1.00 C ATOM 988 NE2 HIS A 68 -1.421 -8.908 5.393 1.00 1.00 N ATOM 0 H HIS A 68 -1.979 -13.158 6.569 1.00 1.00 H new ATOM 0 HA HIS A 68 -4.856 -13.101 7.165 1.00 1.00 H new ATOM 0 HB2 HIS A 68 -4.757 -10.812 6.833 1.00 1.00 H new ATOM 0 HB3 HIS A 68 -3.428 -11.287 7.872 1.00 1.00 H new ATOM 0 HD1 HIS A 68 -3.510 -10.833 3.978 1.00 1.00 H new ATOM 0 HD2 HIS A 68 -1.630 -9.481 7.510 1.00 1.00 H new ATOM 0 HE1 HIS A 68 -1.883 -8.976 3.291 1.00 1.00 H new ATOM 0 HE2 HIS A 68 -0.706 -8.181 5.426 1.00 1.00 H new ATOM 997 N HIS A 69 -5.805 -12.706 4.769 1.00 1.00 N ATOM 998 CA HIS A 69 -6.361 -12.776 3.410 1.00 1.00 C ATOM 999 C HIS A 69 -5.496 -11.945 2.453 1.00 1.00 C ATOM 1000 O HIS A 69 -4.928 -10.937 2.873 1.00 1.00 O ATOM 1001 CB HIS A 69 -7.828 -12.278 3.423 1.00 1.00 C ATOM 1002 CG HIS A 69 -8.395 -11.907 2.064 1.00 1.00 C ATOM 1003 ND1 HIS A 69 -8.747 -10.627 1.650 1.00 1.00 N ATOM 1004 CD2 HIS A 69 -8.495 -12.740 0.983 1.00 1.00 C ATOM 1005 CE1 HIS A 69 -8.980 -10.679 0.324 1.00 1.00 C ATOM 1006 NE2 HIS A 69 -8.828 -11.948 -0.100 1.00 1.00 N ATOM 0 H HIS A 69 -6.471 -12.377 5.468 1.00 1.00 H new ATOM 0 HA HIS A 69 -6.355 -13.808 3.060 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -8.455 -13.055 3.861 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -7.894 -11.408 4.077 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -8.343 -13.809 0.977 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -9.246 -9.838 -0.299 1.00 1.00 H new ATOM 0 HE2 HIS A 69 -8.940 -12.271 -1.061 1.00 1.00 H new ATOM 1015 N HIS A 70 -5.394 -12.363 1.196 1.00 1.00 N ATOM 1016 CA HIS A 70 -4.750 -11.678 0.094 1.00 1.00 C ATOM 1017 C HIS A 70 -5.787 -11.787 -1.008 1.00 1.00 C ATOM 1018 O HIS A 70 -6.419 -12.864 -1.088 1.00 1.00 O ATOM 1019 CB HIS A 70 -3.427 -12.337 -0.326 1.00 1.00 C ATOM 1020 CG HIS A 70 -2.758 -11.672 -1.513 1.00 1.00 C ATOM 1021 ND1 HIS A 70 -3.341 -10.771 -2.395 1.00 1.00 N ATOM 1022 CD2 HIS A 70 -1.466 -11.872 -1.913 1.00 1.00 C ATOM 1023 CE1 HIS A 70 -2.404 -10.413 -3.295 1.00 1.00 C ATOM 1024 NE2 HIS A 70 -1.264 -11.080 -3.026 1.00 1.00 N ATOM 1025 OXT HIS A 70 -5.963 -10.780 -1.717 1.00 1.00 O ATOM 0 H HIS A 70 -5.791 -13.257 0.905 1.00 1.00 H new ATOM 0 HA HIS A 70 -4.469 -10.655 0.345 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -2.741 -12.322 0.521 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -3.614 -13.384 -0.566 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -4.305 -10.440 -2.367 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -0.742 -12.524 -1.448 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -2.544 -9.707 -4.100 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -0.396 -11.011 -3.557 1.00 1.00 H new TER 1034 HIS A 70