USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=11 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 7 THR OG1 : rot 92:sc= 1.22 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.385 K(o=0.84,f=-1.9) USER MOD Set 2.1: A 52 SER OG : rot 163:sc= 2.24 USER MOD Set 2.2: A 55 SER OG : rot -62:sc= 1.26 USER MOD Set 3.1: A 29 SER OG : rot 172:sc= 0.99 USER MOD Set 3.2: A 36 HIS : no HE2:sc= 2 K(o=3,f=-9.1!) USER MOD Single : A 1 GLU N :NH3+ -173:sc= 2.02 (180deg=1.74) USER MOD Single : A 16 GLN : amide:sc= 0.857 K(o=0.86,f=-0.22) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.966 K(o=0.97,f=0) USER MOD Single : A 34 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.3) USER MOD Single : A 40 TYR OH : rot -42:sc= 1.09 USER MOD Single : A 46 ASN :FLIP amide:sc= -3.63! C(o=-4.2!,f=-3.6!) USER MOD Single : A 48 ASN : amide:sc= 1.91 K(o=1.9,f=-7.8!) USER MOD Single : A 49 ASN : amide:sc= 0.208 K(o=0.21,f=-2.8!) USER MOD Single : A 51 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.09) USER MOD Single : A 65 HIS : no HD1:sc= -0.212 K(o=-0.21,f=-3.7) USER MOD Single : A 66 HIS : no HE2:sc= 0.906 K(o=0.91,f=-4!) USER MOD Single : A 67 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-6.5!) USER MOD Single : A 68 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-3.5) USER MOD Single : A 70 HIS : no HE2:sc= 0.897 K(o=0.9,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.653 2.343 5.448 1.00 1.00 N ATOM 2 CA GLU A 1 -14.296 1.921 5.828 1.00 1.00 C ATOM 3 C GLU A 1 -14.023 2.249 7.297 1.00 1.00 C ATOM 4 O GLU A 1 -13.185 3.094 7.596 1.00 1.00 O ATOM 5 CB GLU A 1 -13.199 2.472 4.884 1.00 1.00 C ATOM 6 CG GLU A 1 -13.390 2.224 3.376 1.00 1.00 C ATOM 7 CD GLU A 1 -13.950 0.841 3.055 1.00 1.00 C ATOM 8 OE1 GLU A 1 -15.146 0.660 3.362 1.00 1.00 O ATOM 9 OE2 GLU A 1 -13.220 -0.037 2.541 1.00 1.00 O ATOM 0 H1 GLU A 1 -15.864 2.008 4.486 1.00 1.00 H new ATOM 0 H2 GLU A 1 -16.342 1.939 6.115 1.00 1.00 H new ATOM 0 H3 GLU A 1 -15.714 3.381 5.474 1.00 1.00 H new ATOM 0 HA GLU A 1 -14.251 0.838 5.711 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -13.122 3.547 5.044 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -12.245 2.037 5.181 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -14.061 2.982 2.973 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -12.432 2.346 2.871 1.00 1.00 H new ATOM 18 N ALA A 2 -14.710 1.566 8.219 1.00 1.00 N ATOM 19 CA ALA A 2 -14.187 1.326 9.561 1.00 1.00 C ATOM 20 C ALA A 2 -12.941 0.428 9.473 1.00 1.00 C ATOM 21 O ALA A 2 -12.622 -0.103 8.404 1.00 1.00 O ATOM 22 CB ALA A 2 -15.279 0.663 10.411 1.00 1.00 C ATOM 0 H ALA A 2 -15.635 1.169 8.055 1.00 1.00 H new ATOM 0 HA ALA A 2 -13.899 2.268 10.028 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -14.897 0.480 11.415 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -16.146 1.321 10.467 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -15.570 -0.283 9.955 1.00 1.00 H new ATOM 28 N GLU A 3 -12.282 0.181 10.601 1.00 1.00 N ATOM 29 CA GLU A 3 -11.058 -0.617 10.730 1.00 1.00 C ATOM 30 C GLU A 3 -11.304 -2.003 10.125 1.00 1.00 C ATOM 31 O GLU A 3 -10.543 -2.498 9.293 1.00 1.00 O ATOM 32 CB GLU A 3 -10.628 -0.804 12.208 1.00 1.00 C ATOM 33 CG GLU A 3 -10.810 0.400 13.147 1.00 1.00 C ATOM 34 CD GLU A 3 -12.289 0.544 13.530 1.00 1.00 C ATOM 35 OE1 GLU A 3 -12.802 -0.364 14.218 1.00 1.00 O ATOM 36 OE2 GLU A 3 -12.931 1.467 12.984 1.00 1.00 O ATOM 0 H GLU A 3 -12.600 0.549 11.498 1.00 1.00 H new ATOM 0 HA GLU A 3 -10.263 -0.084 10.209 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -11.189 -1.643 12.620 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -9.576 -1.087 12.221 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -10.204 0.268 14.044 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -10.462 1.310 12.658 1.00 1.00 H new ATOM 43 N ALA A 4 -12.411 -2.626 10.542 1.00 1.00 N ATOM 44 CA ALA A 4 -12.807 -3.954 10.110 1.00 1.00 C ATOM 45 C ALA A 4 -13.307 -3.977 8.662 1.00 1.00 C ATOM 46 O ALA A 4 -13.507 -5.067 8.131 1.00 1.00 O ATOM 47 CB ALA A 4 -13.889 -4.491 11.055 1.00 1.00 C ATOM 0 H ALA A 4 -13.065 -2.206 11.203 1.00 1.00 H new ATOM 0 HA ALA A 4 -11.925 -4.593 10.146 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -14.190 -5.488 10.734 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -13.494 -4.540 12.070 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -14.753 -3.827 11.033 1.00 1.00 H new ATOM 53 N GLU A 5 -13.531 -2.832 8.019 1.00 1.00 N ATOM 54 CA GLU A 5 -14.034 -2.764 6.655 1.00 1.00 C ATOM 55 C GLU A 5 -12.948 -2.435 5.639 1.00 1.00 C ATOM 56 O GLU A 5 -12.941 -3.067 4.584 1.00 1.00 O ATOM 57 CB GLU A 5 -15.035 -1.619 6.502 1.00 1.00 C ATOM 58 CG GLU A 5 -16.448 -1.785 7.052 1.00 1.00 C ATOM 59 CD GLU A 5 -17.253 -0.615 6.480 1.00 1.00 C ATOM 60 OE1 GLU A 5 -17.003 0.530 6.925 1.00 1.00 O ATOM 61 OE2 GLU A 5 -17.955 -0.829 5.465 1.00 1.00 O ATOM 0 H GLU A 5 -13.365 -1.917 8.439 1.00 1.00 H new ATOM 0 HA GLU A 5 -14.467 -3.748 6.473 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -14.601 -0.738 6.975 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -15.121 -1.399 5.438 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -16.877 -2.741 6.750 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -16.449 -1.766 8.142 1.00 1.00 H new ATOM 68 N PHE A 6 -12.047 -1.502 5.979 1.00 1.00 N ATOM 69 CA PHE A 6 -11.018 -0.926 5.118 1.00 1.00 C ATOM 70 C PHE A 6 -10.467 -1.909 4.094 1.00 1.00 C ATOM 71 O PHE A 6 -9.631 -2.755 4.406 1.00 1.00 O ATOM 72 CB PHE A 6 -9.907 -0.259 5.943 1.00 1.00 C ATOM 73 CG PHE A 6 -8.775 0.265 5.070 1.00 1.00 C ATOM 74 CD1 PHE A 6 -9.029 1.252 4.096 1.00 1.00 C ATOM 75 CD2 PHE A 6 -7.493 -0.313 5.153 1.00 1.00 C ATOM 76 CE1 PHE A 6 -8.022 1.626 3.188 1.00 1.00 C ATOM 77 CE2 PHE A 6 -6.483 0.068 4.251 1.00 1.00 C ATOM 78 CZ PHE A 6 -6.754 1.024 3.256 1.00 1.00 C ATOM 0 H PHE A 6 -12.020 -1.110 6.920 1.00 1.00 H new ATOM 0 HA PHE A 6 -11.507 -0.147 4.534 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -10.330 0.564 6.519 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -9.508 -0.977 6.659 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -10.000 1.722 4.047 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -7.285 -1.052 5.913 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -8.223 2.376 2.438 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.500 -0.373 4.323 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.988 1.295 2.545 1.00 1.00 H new ATOM 88 N THR A 7 -10.996 -1.786 2.878 1.00 1.00 N ATOM 89 CA THR A 7 -10.641 -2.556 1.707 1.00 1.00 C ATOM 90 C THR A 7 -9.124 -2.452 1.559 1.00 1.00 C ATOM 91 O THR A 7 -8.566 -1.354 1.563 1.00 1.00 O ATOM 92 CB THR A 7 -11.477 -2.046 0.524 1.00 1.00 C ATOM 93 OG1 THR A 7 -12.851 -2.052 0.898 1.00 1.00 O ATOM 94 CG2 THR A 7 -11.310 -2.934 -0.713 1.00 1.00 C ATOM 0 H THR A 7 -11.727 -1.102 2.682 1.00 1.00 H new ATOM 0 HA THR A 7 -10.872 -3.619 1.772 1.00 1.00 H new ATOM 0 HB THR A 7 -11.135 -1.041 0.277 1.00 1.00 H new ATOM 0 HG1 THR A 7 -13.093 -1.177 1.268 1.00 1.00 H new ATOM 0 HG21 THR A 7 -11.917 -2.540 -1.528 1.00 1.00 H new ATOM 0 HG22 THR A 7 -10.262 -2.946 -1.014 1.00 1.00 H new ATOM 0 HG23 THR A 7 -11.632 -3.949 -0.479 1.00 1.00 H new ATOM 102 N ASP A 8 -8.483 -3.618 1.473 1.00 1.00 N ATOM 103 CA ASP A 8 -7.035 -3.782 1.473 1.00 1.00 C ATOM 104 C ASP A 8 -6.343 -2.793 0.535 1.00 1.00 C ATOM 105 O ASP A 8 -6.681 -2.705 -0.650 1.00 1.00 O ATOM 106 CB ASP A 8 -6.645 -5.227 1.139 1.00 1.00 C ATOM 107 CG ASP A 8 -5.239 -5.504 1.664 1.00 1.00 C ATOM 108 OD1 ASP A 8 -4.303 -4.809 1.218 1.00 1.00 O ATOM 109 OD2 ASP A 8 -5.154 -6.313 2.621 1.00 1.00 O ATOM 0 H ASP A 8 -8.980 -4.506 1.399 1.00 1.00 H new ATOM 0 HA ASP A 8 -6.687 -3.560 2.482 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -7.356 -5.921 1.587 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -6.681 -5.386 0.061 1.00 1.00 H new ATOM 114 N ALA A 9 -5.362 -2.063 1.076 1.00 1.00 N ATOM 115 CA ALA A 9 -4.577 -1.067 0.363 1.00 1.00 C ATOM 116 C ALA A 9 -3.915 -1.641 -0.897 1.00 1.00 C ATOM 117 O ALA A 9 -3.652 -0.894 -1.837 1.00 1.00 O ATOM 118 CB ALA A 9 -3.528 -0.480 1.309 1.00 1.00 C ATOM 0 H ALA A 9 -5.089 -2.157 2.054 1.00 1.00 H new ATOM 0 HA ALA A 9 -5.251 -0.279 0.027 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -2.937 0.267 0.779 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -4.025 -0.013 2.159 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -2.873 -1.275 1.664 1.00 1.00 H new ATOM 124 N CYS A 10 -3.688 -2.954 -0.937 1.00 1.00 N ATOM 125 CA CYS A 10 -3.185 -3.708 -2.073 1.00 1.00 C ATOM 126 C CYS A 10 -4.028 -3.489 -3.345 1.00 1.00 C ATOM 127 O CYS A 10 -3.507 -3.532 -4.460 1.00 1.00 O ATOM 128 CB CYS A 10 -3.199 -5.173 -1.625 1.00 1.00 C ATOM 129 SG CYS A 10 -2.465 -6.426 -2.695 1.00 1.00 S ATOM 0 H CYS A 10 -3.862 -3.549 -0.127 1.00 1.00 H new ATOM 0 HA CYS A 10 -2.183 -3.380 -2.350 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.692 -5.226 -0.661 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -4.238 -5.454 -1.455 1.00 1.00 H new ATOM 134 N VAL A 11 -5.335 -3.267 -3.197 1.00 1.00 N ATOM 135 CA VAL A 11 -6.286 -3.079 -4.293 1.00 1.00 C ATOM 136 C VAL A 11 -6.530 -1.582 -4.581 1.00 1.00 C ATOM 137 O VAL A 11 -7.240 -1.241 -5.527 1.00 1.00 O ATOM 138 CB VAL A 11 -7.595 -3.847 -3.955 1.00 1.00 C ATOM 139 CG1 VAL A 11 -8.448 -4.129 -5.204 1.00 1.00 C ATOM 140 CG2 VAL A 11 -7.345 -5.217 -3.286 1.00 1.00 C ATOM 0 H VAL A 11 -5.775 -3.211 -2.279 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.873 -3.489 -5.214 1.00 1.00 H new ATOM 0 HB VAL A 11 -8.114 -3.181 -3.266 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -9.351 -4.667 -4.914 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -8.723 -3.186 -5.677 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -7.875 -4.734 -5.907 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -8.300 -5.699 -3.077 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -6.759 -5.847 -3.955 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -6.800 -5.072 -2.353 1.00 1.00 H new ATOM 150 N LEU A 12 -5.958 -0.662 -3.796 1.00 1.00 N ATOM 151 CA LEU A 12 -6.214 0.772 -3.864 1.00 1.00 C ATOM 152 C LEU A 12 -5.047 1.524 -4.497 1.00 1.00 C ATOM 153 O LEU A 12 -3.897 1.217 -4.195 1.00 1.00 O ATOM 154 CB LEU A 12 -6.574 1.201 -2.438 1.00 1.00 C ATOM 155 CG LEU A 12 -6.425 2.666 -2.013 1.00 1.00 C ATOM 156 CD1 LEU A 12 -7.567 3.565 -2.510 1.00 1.00 C ATOM 157 CD2 LEU A 12 -6.396 2.692 -0.479 1.00 1.00 C ATOM 0 H LEU A 12 -5.282 -0.909 -3.073 1.00 1.00 H new ATOM 0 HA LEU A 12 -7.044 1.020 -4.526 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.613 0.919 -2.268 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -5.967 0.604 -1.758 1.00 1.00 H new ATOM 0 HG LEU A 12 -5.511 3.060 -2.457 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -7.398 4.588 -2.173 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -7.600 3.542 -3.599 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -8.515 3.204 -2.111 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -6.291 3.721 -0.134 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -7.324 2.272 -0.090 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -5.553 2.101 -0.121 1.00 1.00 H new ATOM 169 N PRO A 13 -5.299 2.506 -5.377 1.00 1.00 N ATOM 170 CA PRO A 13 -4.234 3.278 -5.988 1.00 1.00 C ATOM 171 C PRO A 13 -3.595 4.257 -5.003 1.00 1.00 C ATOM 172 O PRO A 13 -4.160 4.612 -3.966 1.00 1.00 O ATOM 173 CB PRO A 13 -4.860 4.000 -7.182 1.00 1.00 C ATOM 174 CG PRO A 13 -6.371 3.986 -6.926 1.00 1.00 C ATOM 175 CD PRO A 13 -6.604 2.930 -5.844 1.00 1.00 C ATOM 0 HA PRO A 13 -3.420 2.627 -6.308 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -4.486 5.020 -7.263 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -4.616 3.496 -8.117 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -6.720 4.965 -6.598 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -6.919 3.740 -7.836 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -7.192 3.342 -5.024 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -7.164 2.085 -6.244 1.00 1.00 H new ATOM 183 N ALA A 14 -2.400 4.709 -5.377 1.00 1.00 N ATOM 184 CA ALA A 14 -1.657 5.739 -4.668 1.00 1.00 C ATOM 185 C ALA A 14 -2.280 7.099 -5.001 1.00 1.00 C ATOM 186 O ALA A 14 -2.765 7.279 -6.119 1.00 1.00 O ATOM 187 CB ALA A 14 -0.200 5.689 -5.139 1.00 1.00 C ATOM 0 H ALA A 14 -1.913 4.358 -6.202 1.00 1.00 H new ATOM 0 HA ALA A 14 -1.693 5.583 -3.590 1.00 1.00 H new ATOM 0 HB1 ALA A 14 0.377 6.454 -4.620 1.00 1.00 H new ATOM 0 HB2 ALA A 14 0.220 4.707 -4.920 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -0.158 5.870 -6.213 1.00 1.00 H new ATOM 193 N VAL A 15 -2.218 8.069 -4.084 1.00 1.00 N ATOM 194 CA VAL A 15 -2.776 9.406 -4.280 1.00 1.00 C ATOM 195 C VAL A 15 -1.809 10.424 -3.683 1.00 1.00 C ATOM 196 O VAL A 15 -1.247 10.206 -2.610 1.00 1.00 O ATOM 197 CB VAL A 15 -4.174 9.503 -3.631 1.00 1.00 C ATOM 198 CG1 VAL A 15 -4.784 10.912 -3.684 1.00 1.00 C ATOM 199 CG2 VAL A 15 -5.166 8.527 -4.283 1.00 1.00 C ATOM 0 H VAL A 15 -1.773 7.944 -3.175 1.00 1.00 H new ATOM 0 HA VAL A 15 -2.900 9.613 -5.343 1.00 1.00 H new ATOM 0 HB VAL A 15 -4.011 9.242 -2.585 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -5.765 10.902 -3.209 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.133 11.610 -3.157 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -4.887 11.225 -4.723 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -6.139 8.622 -3.802 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -5.261 8.759 -5.344 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -4.802 7.506 -4.167 1.00 1.00 H new ATOM 209 N GLN A 16 -1.650 11.538 -4.392 1.00 1.00 N ATOM 210 CA GLN A 16 -0.874 12.702 -3.982 1.00 1.00 C ATOM 211 C GLN A 16 -1.515 13.379 -2.773 1.00 1.00 C ATOM 212 O GLN A 16 -0.915 13.420 -1.703 1.00 1.00 O ATOM 213 CB GLN A 16 -0.749 13.710 -5.144 1.00 1.00 C ATOM 214 CG GLN A 16 0.338 13.391 -6.171 1.00 1.00 C ATOM 215 CD GLN A 16 0.073 12.090 -6.912 1.00 1.00 C ATOM 216 OE1 GLN A 16 -0.884 11.960 -7.662 1.00 1.00 O ATOM 217 NE2 GLN A 16 0.894 11.083 -6.693 1.00 1.00 N ATOM 0 H GLN A 16 -2.079 11.658 -5.310 1.00 1.00 H new ATOM 0 HA GLN A 16 0.123 12.361 -3.705 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.708 13.766 -5.660 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.553 14.698 -4.727 1.00 1.00 H new ATOM 0 HG2 GLN A 16 0.406 14.208 -6.890 1.00 1.00 H new ATOM 0 HG3 GLN A 16 1.303 13.329 -5.667 1.00 1.00 H new ATOM 0 HE21 GLN A 16 1.690 11.201 -6.066 1.00 1.00 H new ATOM 0 HE22 GLN A 16 0.734 10.186 -7.151 1.00 1.00 H new ATOM 226 N GLY A 17 -2.724 13.901 -2.964 1.00 1.00 N ATOM 227 CA GLY A 17 -3.463 14.701 -2.009 1.00 1.00 C ATOM 228 C GLY A 17 -3.567 16.135 -2.540 1.00 1.00 C ATOM 229 O GLY A 17 -2.959 16.445 -3.568 1.00 1.00 O ATOM 0 H GLY A 17 -3.235 13.767 -3.836 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -4.458 14.282 -1.856 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -2.961 14.692 -1.041 1.00 1.00 H new ATOM 233 N PRO A 18 -4.321 17.027 -1.881 1.00 1.00 N ATOM 234 CA PRO A 18 -4.576 18.379 -2.384 1.00 1.00 C ATOM 235 C PRO A 18 -3.380 19.345 -2.279 1.00 1.00 C ATOM 236 O PRO A 18 -3.486 20.497 -2.715 1.00 1.00 O ATOM 237 CB PRO A 18 -5.786 18.870 -1.579 1.00 1.00 C ATOM 238 CG PRO A 18 -5.714 18.086 -0.268 1.00 1.00 C ATOM 239 CD PRO A 18 -5.115 16.747 -0.693 1.00 1.00 C ATOM 0 HA PRO A 18 -4.761 18.351 -3.458 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -5.736 19.944 -1.403 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -6.720 18.676 -2.107 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -5.089 18.591 0.469 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -6.699 17.962 0.181 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -4.497 16.326 0.100 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -5.897 16.019 -0.908 1.00 1.00 H new ATOM 247 N CYS A 19 -2.263 18.945 -1.667 1.00 1.00 N ATOM 248 CA CYS A 19 -1.101 19.798 -1.429 1.00 1.00 C ATOM 249 C CYS A 19 -0.309 20.072 -2.711 1.00 1.00 C ATOM 250 O CYS A 19 -0.693 19.685 -3.810 1.00 1.00 O ATOM 251 CB CYS A 19 -0.206 19.179 -0.347 1.00 1.00 C ATOM 252 SG CYS A 19 -0.955 19.231 1.290 1.00 1.00 S ATOM 0 H CYS A 19 -2.141 17.995 -1.315 1.00 1.00 H new ATOM 0 HA CYS A 19 -1.465 20.763 -1.077 1.00 1.00 H new ATOM 0 HB2 CYS A 19 0.011 18.144 -0.610 1.00 1.00 H new ATOM 0 HB3 CYS A 19 0.747 19.708 -0.323 1.00 1.00 H new ATOM 257 N ARG A 20 0.783 20.827 -2.561 1.00 1.00 N ATOM 258 CA ARG A 20 1.765 21.115 -3.608 1.00 1.00 C ATOM 259 C ARG A 20 3.207 20.893 -3.142 1.00 1.00 C ATOM 260 O ARG A 20 4.152 21.220 -3.854 1.00 1.00 O ATOM 261 CB ARG A 20 1.526 22.499 -4.212 1.00 1.00 C ATOM 262 CG ARG A 20 0.408 22.496 -5.275 1.00 1.00 C ATOM 263 CD ARG A 20 -0.802 23.375 -4.951 1.00 1.00 C ATOM 264 NE ARG A 20 -1.609 22.881 -3.816 1.00 1.00 N ATOM 265 CZ ARG A 20 -2.029 23.587 -2.754 1.00 1.00 C ATOM 266 NH1 ARG A 20 -1.603 24.833 -2.544 1.00 1.00 N ATOM 267 NH2 ARG A 20 -2.877 23.040 -1.892 1.00 1.00 N ATOM 0 H ARG A 20 1.015 21.271 -1.673 1.00 1.00 H new ATOM 0 HA ARG A 20 1.618 20.391 -4.410 1.00 1.00 H new ATOM 0 HB2 ARG A 20 1.265 23.198 -3.418 1.00 1.00 H new ATOM 0 HB3 ARG A 20 2.451 22.859 -4.663 1.00 1.00 H new ATOM 0 HG2 ARG A 20 0.831 22.824 -6.225 1.00 1.00 H new ATOM 0 HG3 ARG A 20 0.065 21.471 -5.415 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -0.457 24.385 -4.728 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -1.437 23.443 -5.834 1.00 1.00 H new ATOM 0 HE ARG A 20 -1.876 21.897 -3.842 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -0.948 25.264 -3.196 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -1.933 25.355 -1.732 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -3.208 22.086 -2.037 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -3.198 23.574 -1.084 1.00 1.00 H new ATOM 281 N GLY A 21 3.362 20.408 -1.917 1.00 1.00 N ATOM 282 CA GLY A 21 4.634 19.991 -1.349 1.00 1.00 C ATOM 283 C GLY A 21 4.663 18.498 -1.674 1.00 1.00 C ATOM 284 O GLY A 21 3.592 17.888 -1.733 1.00 1.00 O ATOM 0 H GLY A 21 2.580 20.291 -1.272 1.00 1.00 H new ATOM 0 HA2 GLY A 21 5.473 20.521 -1.799 1.00 1.00 H new ATOM 0 HA3 GLY A 21 4.679 20.174 -0.275 1.00 1.00 H new ATOM 288 N TRP A 22 5.840 17.885 -1.795 1.00 1.00 N ATOM 289 CA TRP A 22 5.952 16.507 -2.243 1.00 1.00 C ATOM 290 C TRP A 22 6.773 15.687 -1.260 1.00 1.00 C ATOM 291 O TRP A 22 7.994 15.798 -1.194 1.00 1.00 O ATOM 292 CB TRP A 22 6.493 16.501 -3.677 1.00 1.00 C ATOM 293 CG TRP A 22 5.688 17.326 -4.651 1.00 1.00 C ATOM 294 CD1 TRP A 22 6.193 18.321 -5.415 1.00 1.00 C ATOM 295 CD2 TRP A 22 4.241 17.342 -4.897 1.00 1.00 C ATOM 296 NE1 TRP A 22 5.174 18.957 -6.093 1.00 1.00 N ATOM 297 CE2 TRP A 22 3.944 18.413 -5.793 1.00 1.00 C ATOM 298 CE3 TRP A 22 3.137 16.604 -4.415 1.00 1.00 C ATOM 299 CZ2 TRP A 22 2.631 18.747 -6.171 1.00 1.00 C ATOM 300 CZ3 TRP A 22 1.817 16.926 -4.783 1.00 1.00 C ATOM 301 CH2 TRP A 22 1.562 17.992 -5.660 1.00 1.00 C ATOM 0 H TRP A 22 6.734 18.330 -1.586 1.00 1.00 H new ATOM 0 HA TRP A 22 4.976 16.022 -2.266 1.00 1.00 H new ATOM 0 HB2 TRP A 22 7.518 16.871 -3.667 1.00 1.00 H new ATOM 0 HB3 TRP A 22 6.529 15.472 -4.034 1.00 1.00 H new ATOM 0 HD1 TRP A 22 7.239 18.579 -5.484 1.00 1.00 H new ATOM 0 HE1 TRP A 22 5.314 19.735 -6.738 1.00 1.00 H new ATOM 0 HE3 TRP A 22 3.310 15.772 -3.748 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 2.447 19.571 -6.844 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 0.994 16.349 -4.388 1.00 1.00 H new ATOM 0 HH2 TRP A 22 0.547 18.231 -5.941 1.00 1.00 H new ATOM 312 N GLU A 23 6.052 14.899 -0.478 1.00 1.00 N ATOM 313 CA GLU A 23 6.516 13.981 0.546 1.00 1.00 C ATOM 314 C GLU A 23 6.645 12.586 -0.100 1.00 1.00 C ATOM 315 O GLU A 23 5.636 12.048 -0.560 1.00 1.00 O ATOM 316 CB GLU A 23 5.478 14.024 1.692 1.00 1.00 C ATOM 317 CG GLU A 23 5.692 13.020 2.828 1.00 1.00 C ATOM 318 CD GLU A 23 6.931 13.248 3.704 1.00 1.00 C ATOM 319 OE1 GLU A 23 7.952 13.742 3.195 1.00 1.00 O ATOM 320 OE2 GLU A 23 6.882 12.782 4.869 1.00 1.00 O ATOM 0 H GLU A 23 5.035 14.886 -0.552 1.00 1.00 H new ATOM 0 HA GLU A 23 7.491 14.243 0.958 1.00 1.00 H new ATOM 0 HB2 GLU A 23 5.476 15.028 2.116 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.489 13.856 1.266 1.00 1.00 H new ATOM 0 HG2 GLU A 23 4.811 13.034 3.469 1.00 1.00 H new ATOM 0 HG3 GLU A 23 5.756 12.021 2.396 1.00 1.00 H new ATOM 327 N PRO A 24 7.837 11.973 -0.205 1.00 1.00 N ATOM 328 CA PRO A 24 7.986 10.620 -0.741 1.00 1.00 C ATOM 329 C PRO A 24 7.356 9.595 0.206 1.00 1.00 C ATOM 330 O PRO A 24 7.561 9.597 1.425 1.00 1.00 O ATOM 331 CB PRO A 24 9.496 10.411 -0.896 1.00 1.00 C ATOM 332 CG PRO A 24 10.101 11.328 0.165 1.00 1.00 C ATOM 333 CD PRO A 24 9.126 12.502 0.214 1.00 1.00 C ATOM 0 HA PRO A 24 7.476 10.491 -1.696 1.00 1.00 H new ATOM 0 HB2 PRO A 24 9.775 9.370 -0.731 1.00 1.00 H new ATOM 0 HB3 PRO A 24 9.836 10.678 -1.897 1.00 1.00 H new ATOM 0 HG2 PRO A 24 10.178 10.829 1.131 1.00 1.00 H new ATOM 0 HG3 PRO A 24 11.106 11.651 -0.108 1.00 1.00 H new ATOM 0 HD2 PRO A 24 9.068 12.919 1.219 1.00 1.00 H new ATOM 0 HD3 PRO A 24 9.451 13.306 -0.446 1.00 1.00 H new ATOM 341 N ARG A 25 6.592 8.674 -0.371 1.00 1.00 N ATOM 342 CA ARG A 25 6.001 7.531 0.319 1.00 1.00 C ATOM 343 C ARG A 25 6.191 6.291 -0.536 1.00 1.00 C ATOM 344 O ARG A 25 6.774 6.367 -1.612 1.00 1.00 O ATOM 345 CB ARG A 25 4.519 7.810 0.635 1.00 1.00 C ATOM 346 CG ARG A 25 4.332 8.787 1.797 1.00 1.00 C ATOM 347 CD ARG A 25 4.781 8.178 3.130 1.00 1.00 C ATOM 348 NE ARG A 25 4.572 9.112 4.242 1.00 1.00 N ATOM 349 CZ ARG A 25 5.449 10.041 4.645 1.00 1.00 C ATOM 350 NH1 ARG A 25 6.651 10.161 4.087 1.00 1.00 N ATOM 351 NH2 ARG A 25 5.118 10.886 5.612 1.00 1.00 N ATOM 0 H ARG A 25 6.359 8.702 -1.364 1.00 1.00 H new ATOM 0 HA ARG A 25 6.498 7.362 1.274 1.00 1.00 H new ATOM 0 HB2 ARG A 25 4.033 8.213 -0.254 1.00 1.00 H new ATOM 0 HB3 ARG A 25 4.020 6.870 0.873 1.00 1.00 H new ATOM 0 HG2 ARG A 25 4.901 9.696 1.603 1.00 1.00 H new ATOM 0 HG3 ARG A 25 3.283 9.076 1.864 1.00 1.00 H new ATOM 0 HD2 ARG A 25 4.227 7.258 3.316 1.00 1.00 H new ATOM 0 HD3 ARG A 25 5.836 7.909 3.072 1.00 1.00 H new ATOM 0 HE ARG A 25 3.689 9.049 4.748 1.00 1.00 H new ATOM 0 HH11 ARG A 25 6.927 9.535 3.330 1.00 1.00 H new ATOM 0 HH12 ARG A 25 7.297 10.879 4.416 1.00 1.00 H new ATOM 0 HH21 ARG A 25 4.197 10.828 6.047 1.00 1.00 H new ATOM 0 HH22 ARG A 25 5.784 11.594 5.921 1.00 1.00 H new ATOM 365 N TRP A 26 5.724 5.147 -0.057 1.00 1.00 N ATOM 366 CA TRP A 26 5.733 3.877 -0.763 1.00 1.00 C ATOM 367 C TRP A 26 4.284 3.478 -1.016 1.00 1.00 C ATOM 368 O TRP A 26 3.448 3.705 -0.145 1.00 1.00 O ATOM 369 CB TRP A 26 6.459 2.848 0.116 1.00 1.00 C ATOM 370 CG TRP A 26 7.948 2.963 0.118 1.00 1.00 C ATOM 371 CD1 TRP A 26 8.694 3.803 0.870 1.00 1.00 C ATOM 372 CD2 TRP A 26 8.885 2.234 -0.717 1.00 1.00 C ATOM 373 NE1 TRP A 26 10.029 3.644 0.548 1.00 1.00 N ATOM 374 CE2 TRP A 26 10.200 2.710 -0.455 1.00 1.00 C ATOM 375 CE3 TRP A 26 8.737 1.217 -1.677 1.00 1.00 C ATOM 376 CZ2 TRP A 26 11.318 2.209 -1.140 1.00 1.00 C ATOM 377 CZ3 TRP A 26 9.831 0.787 -2.441 1.00 1.00 C ATOM 378 CH2 TRP A 26 11.124 1.245 -2.146 1.00 1.00 C ATOM 0 H TRP A 26 5.312 5.077 0.873 1.00 1.00 H new ATOM 0 HA TRP A 26 6.252 3.939 -1.719 1.00 1.00 H new ATOM 0 HB2 TRP A 26 6.100 2.949 1.140 1.00 1.00 H new ATOM 0 HB3 TRP A 26 6.187 1.848 -0.220 1.00 1.00 H new ATOM 0 HD1 TRP A 26 8.307 4.491 1.607 1.00 1.00 H new ATOM 0 HE1 TRP A 26 10.792 4.153 0.995 1.00 1.00 H new ATOM 0 HE3 TRP A 26 7.769 0.762 -1.827 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 12.311 2.558 -0.899 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 9.678 0.100 -3.260 1.00 1.00 H new ATOM 0 HH2 TRP A 26 11.971 0.857 -2.692 1.00 1.00 H new ATOM 389 N ALA A 27 3.962 2.922 -2.185 1.00 1.00 N ATOM 390 CA ALA A 27 2.634 2.386 -2.463 1.00 1.00 C ATOM 391 C ALA A 27 2.785 1.090 -3.234 1.00 1.00 C ATOM 392 O ALA A 27 3.707 0.939 -4.048 1.00 1.00 O ATOM 393 CB ALA A 27 1.736 3.347 -3.251 1.00 1.00 C ATOM 0 H ALA A 27 4.615 2.832 -2.963 1.00 1.00 H new ATOM 0 HA ALA A 27 2.144 2.225 -1.503 1.00 1.00 H new ATOM 0 HB1 ALA A 27 0.765 2.881 -3.421 1.00 1.00 H new ATOM 0 HB2 ALA A 27 1.602 4.268 -2.683 1.00 1.00 H new ATOM 0 HB3 ALA A 27 2.201 3.576 -4.210 1.00 1.00 H new ATOM 399 N TYR A 28 1.858 0.172 -2.984 1.00 1.00 N ATOM 400 CA TYR A 28 1.800 -1.096 -3.676 1.00 1.00 C ATOM 401 C TYR A 28 1.164 -0.908 -5.042 1.00 1.00 C ATOM 402 O TYR A 28 0.236 -0.117 -5.210 1.00 1.00 O ATOM 403 CB TYR A 28 0.995 -2.110 -2.862 1.00 1.00 C ATOM 404 CG TYR A 28 0.865 -3.431 -3.588 1.00 1.00 C ATOM 405 CD1 TYR A 28 1.938 -4.339 -3.638 1.00 1.00 C ATOM 406 CD2 TYR A 28 -0.325 -3.723 -4.272 1.00 1.00 C ATOM 407 CE1 TYR A 28 1.806 -5.547 -4.345 1.00 1.00 C ATOM 408 CE2 TYR A 28 -0.477 -4.942 -4.947 1.00 1.00 C ATOM 409 CZ TYR A 28 0.590 -5.863 -4.987 1.00 1.00 C ATOM 410 OH TYR A 28 0.443 -7.066 -5.603 1.00 1.00 O ATOM 0 H TYR A 28 1.122 0.295 -2.288 1.00 1.00 H new ATOM 0 HA TYR A 28 2.814 -1.475 -3.801 1.00 1.00 H new ATOM 0 HB2 TYR A 28 1.479 -2.270 -1.898 1.00 1.00 H new ATOM 0 HB3 TYR A 28 0.003 -1.708 -2.658 1.00 1.00 H new ATOM 0 HD1 TYR A 28 2.864 -4.108 -3.133 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -1.130 -3.003 -4.278 1.00 1.00 H new ATOM 0 HE1 TYR A 28 2.637 -6.235 -4.397 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -1.411 -5.176 -5.436 1.00 1.00 H new ATOM 0 HH TYR A 28 -0.453 -7.126 -5.995 1.00 1.00 H new ATOM 420 N SER A 29 1.736 -1.540 -6.057 1.00 1.00 N ATOM 421 CA SER A 29 1.199 -1.589 -7.398 1.00 1.00 C ATOM 422 C SER A 29 0.877 -3.037 -7.753 1.00 1.00 C ATOM 423 O SER A 29 1.829 -3.798 -7.932 1.00 1.00 O ATOM 424 CB SER A 29 2.235 -0.918 -8.286 1.00 1.00 C ATOM 425 OG SER A 29 2.059 0.466 -8.044 1.00 1.00 O ATOM 0 H SER A 29 2.615 -2.048 -5.960 1.00 1.00 H new ATOM 0 HA SER A 29 0.256 -1.058 -7.522 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.245 -1.241 -8.033 1.00 1.00 H new ATOM 0 HB3 SER A 29 2.076 -1.162 -9.337 1.00 1.00 H new ATOM 0 HG SER A 29 2.773 0.969 -8.488 1.00 1.00 H new ATOM 431 N PRO A 30 -0.403 -3.419 -7.940 1.00 1.00 N ATOM 432 CA PRO A 30 -0.742 -4.757 -8.410 1.00 1.00 C ATOM 433 C PRO A 30 -0.283 -4.952 -9.857 1.00 1.00 C ATOM 434 O PRO A 30 0.142 -6.041 -10.216 1.00 1.00 O ATOM 435 CB PRO A 30 -2.261 -4.905 -8.259 1.00 1.00 C ATOM 436 CG PRO A 30 -2.789 -3.476 -8.138 1.00 1.00 C ATOM 437 CD PRO A 30 -1.608 -2.665 -7.610 1.00 1.00 C ATOM 0 HA PRO A 30 -0.234 -5.526 -7.828 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -2.695 -5.414 -9.119 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -2.514 -5.495 -7.378 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -3.129 -3.097 -9.102 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -3.639 -3.425 -7.458 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -1.583 -1.675 -8.066 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -1.690 -2.518 -6.533 1.00 1.00 H new ATOM 445 N LEU A 31 -0.274 -3.883 -10.665 1.00 1.00 N ATOM 446 CA LEU A 31 0.246 -3.884 -12.032 1.00 1.00 C ATOM 447 C LEU A 31 1.760 -4.132 -12.085 1.00 1.00 C ATOM 448 O LEU A 31 2.294 -4.388 -13.158 1.00 1.00 O ATOM 449 CB LEU A 31 -0.093 -2.558 -12.729 1.00 1.00 C ATOM 450 CG LEU A 31 -1.580 -2.457 -13.127 1.00 1.00 C ATOM 451 CD1 LEU A 31 -2.402 -1.706 -12.071 1.00 1.00 C ATOM 452 CD2 LEU A 31 -1.717 -1.745 -14.473 1.00 1.00 C ATOM 0 H LEU A 31 -0.637 -2.975 -10.376 1.00 1.00 H new ATOM 0 HA LEU A 31 -0.236 -4.709 -12.556 1.00 1.00 H new ATOM 0 HB2 LEU A 31 0.159 -1.730 -12.067 1.00 1.00 H new ATOM 0 HB3 LEU A 31 0.525 -2.453 -13.620 1.00 1.00 H new ATOM 0 HG LEU A 31 -1.967 -3.473 -13.202 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -3.444 -1.656 -12.388 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.338 -2.232 -11.118 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -2.009 -0.696 -11.955 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -2.771 -1.679 -14.744 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -1.298 -0.741 -14.398 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -1.180 -2.306 -15.238 1.00 1.00 H new ATOM 464 N LEU A 32 2.456 -4.028 -10.951 1.00 1.00 N ATOM 465 CA LEU A 32 3.874 -4.347 -10.789 1.00 1.00 C ATOM 466 C LEU A 32 4.057 -5.527 -9.828 1.00 1.00 C ATOM 467 O LEU A 32 5.181 -5.952 -9.580 1.00 1.00 O ATOM 468 CB LEU A 32 4.576 -3.097 -10.252 1.00 1.00 C ATOM 469 CG LEU A 32 4.849 -2.044 -11.344 1.00 1.00 C ATOM 470 CD1 LEU A 32 5.204 -0.699 -10.699 1.00 1.00 C ATOM 471 CD2 LEU A 32 5.992 -2.465 -12.275 1.00 1.00 C ATOM 0 H LEU A 32 2.027 -3.705 -10.084 1.00 1.00 H new ATOM 0 HA LEU A 32 4.306 -4.639 -11.746 1.00 1.00 H new ATOM 0 HB2 LEU A 32 3.963 -2.650 -9.470 1.00 1.00 H new ATOM 0 HB3 LEU A 32 5.520 -3.387 -9.790 1.00 1.00 H new ATOM 0 HG LEU A 32 3.939 -1.952 -11.937 1.00 1.00 H new ATOM 0 HD11 LEU A 32 5.395 0.039 -11.478 1.00 1.00 H new ATOM 0 HD12 LEU A 32 4.374 -0.363 -10.077 1.00 1.00 H new ATOM 0 HD13 LEU A 32 6.095 -0.815 -10.083 1.00 1.00 H new ATOM 0 HD21 LEU A 32 6.150 -1.694 -13.029 1.00 1.00 H new ATOM 0 HD22 LEU A 32 6.905 -2.597 -11.694 1.00 1.00 H new ATOM 0 HD23 LEU A 32 5.735 -3.404 -12.765 1.00 1.00 H new ATOM 483 N GLN A 33 2.952 -6.005 -9.253 1.00 1.00 N ATOM 484 CA GLN A 33 2.806 -7.014 -8.223 1.00 1.00 C ATOM 485 C GLN A 33 3.692 -6.707 -7.001 1.00 1.00 C ATOM 486 O GLN A 33 4.051 -7.616 -6.250 1.00 1.00 O ATOM 487 CB GLN A 33 2.994 -8.408 -8.851 1.00 1.00 C ATOM 488 CG GLN A 33 2.353 -9.507 -7.988 1.00 1.00 C ATOM 489 CD GLN A 33 3.317 -10.638 -7.632 1.00 1.00 C ATOM 490 OE1 GLN A 33 3.175 -11.762 -8.095 1.00 1.00 O ATOM 491 NE2 GLN A 33 4.309 -10.371 -6.801 1.00 1.00 N ATOM 0 H GLN A 33 2.039 -5.648 -9.536 1.00 1.00 H new ATOM 0 HA GLN A 33 1.797 -7.002 -7.812 1.00 1.00 H new ATOM 0 HB2 GLN A 33 2.552 -8.422 -9.847 1.00 1.00 H new ATOM 0 HB3 GLN A 33 4.058 -8.613 -8.972 1.00 1.00 H new ATOM 0 HG2 GLN A 33 1.972 -9.061 -7.069 1.00 1.00 H new ATOM 0 HG3 GLN A 33 1.497 -9.923 -8.519 1.00 1.00 H new ATOM 0 HE21 GLN A 33 4.417 -9.430 -6.422 1.00 1.00 H new ATOM 0 HE22 GLN A 33 4.967 -11.105 -6.539 1.00 1.00 H new ATOM 500 N GLN A 34 4.071 -5.440 -6.783 1.00 1.00 N ATOM 501 CA GLN A 34 5.007 -5.077 -5.721 1.00 1.00 C ATOM 502 C GLN A 34 4.949 -3.567 -5.474 1.00 1.00 C ATOM 503 O GLN A 34 4.344 -2.804 -6.235 1.00 1.00 O ATOM 504 CB GLN A 34 6.438 -5.526 -6.100 1.00 1.00 C ATOM 505 CG GLN A 34 7.368 -5.671 -4.884 1.00 1.00 C ATOM 506 CD GLN A 34 8.728 -6.233 -5.278 1.00 1.00 C ATOM 507 OE1 GLN A 34 9.505 -5.577 -5.969 1.00 1.00 O ATOM 508 NE2 GLN A 34 9.116 -7.375 -4.741 1.00 1.00 N ATOM 0 H GLN A 34 3.739 -4.648 -7.334 1.00 1.00 H new ATOM 0 HA GLN A 34 4.726 -5.586 -4.799 1.00 1.00 H new ATOM 0 HB2 GLN A 34 6.386 -6.480 -6.625 1.00 1.00 H new ATOM 0 HB3 GLN A 34 6.867 -4.803 -6.794 1.00 1.00 H new ATOM 0 HG2 GLN A 34 7.500 -4.699 -4.409 1.00 1.00 H new ATOM 0 HG3 GLN A 34 6.903 -6.326 -4.147 1.00 1.00 H new ATOM 0 HE21 GLN A 34 8.468 -7.916 -4.168 1.00 1.00 H new ATOM 0 HE22 GLN A 34 10.064 -7.717 -4.899 1.00 1.00 H new ATOM 517 N CYS A 35 5.591 -3.123 -4.396 1.00 1.00 N ATOM 518 CA CYS A 35 5.653 -1.730 -4.003 1.00 1.00 C ATOM 519 C CYS A 35 6.804 -0.964 -4.617 1.00 1.00 C ATOM 520 O CYS A 35 7.915 -1.475 -4.783 1.00 1.00 O ATOM 521 CB CYS A 35 5.800 -1.633 -2.497 1.00 1.00 C ATOM 522 SG CYS A 35 4.303 -2.101 -1.640 1.00 1.00 S ATOM 0 H CYS A 35 6.093 -3.743 -3.760 1.00 1.00 H new ATOM 0 HA CYS A 35 4.725 -1.285 -4.363 1.00 1.00 H new ATOM 0 HB2 CYS A 35 6.619 -2.275 -2.172 1.00 1.00 H new ATOM 0 HB3 CYS A 35 6.068 -0.612 -2.225 1.00 1.00 H new ATOM 527 N HIS A 36 6.551 0.326 -4.815 1.00 1.00 N ATOM 528 CA HIS A 36 7.543 1.296 -5.280 1.00 1.00 C ATOM 529 C HIS A 36 7.353 2.653 -4.580 1.00 1.00 C ATOM 530 O HIS A 36 6.247 2.917 -4.097 1.00 1.00 O ATOM 531 CB HIS A 36 7.455 1.416 -6.814 1.00 1.00 C ATOM 532 CG HIS A 36 6.152 1.988 -7.329 1.00 1.00 C ATOM 533 ND1 HIS A 36 5.823 3.333 -7.355 1.00 1.00 N ATOM 534 CD2 HIS A 36 5.080 1.283 -7.811 1.00 1.00 C ATOM 535 CE1 HIS A 36 4.569 3.447 -7.824 1.00 1.00 C ATOM 536 NE2 HIS A 36 4.116 2.218 -8.127 1.00 1.00 N ATOM 0 H HIS A 36 5.632 0.737 -4.654 1.00 1.00 H new ATOM 0 HA HIS A 36 8.544 0.950 -5.021 1.00 1.00 H new ATOM 0 HB2 HIS A 36 8.275 2.043 -7.164 1.00 1.00 H new ATOM 0 HB3 HIS A 36 7.601 0.428 -7.251 1.00 1.00 H new ATOM 0 HD1 HIS A 36 6.427 4.103 -7.068 1.00 1.00 H new ATOM 0 HD2 HIS A 36 5.005 0.211 -7.921 1.00 1.00 H new ATOM 0 HE1 HIS A 36 4.019 4.369 -7.938 1.00 1.00 H new ATOM 545 N PRO A 37 8.380 3.524 -4.527 1.00 1.00 N ATOM 546 CA PRO A 37 8.239 4.883 -4.001 1.00 1.00 C ATOM 547 C PRO A 37 7.246 5.690 -4.850 1.00 1.00 C ATOM 548 O PRO A 37 7.053 5.359 -6.025 1.00 1.00 O ATOM 549 CB PRO A 37 9.632 5.521 -4.074 1.00 1.00 C ATOM 550 CG PRO A 37 10.582 4.330 -4.158 1.00 1.00 C ATOM 551 CD PRO A 37 9.766 3.273 -4.896 1.00 1.00 C ATOM 0 HA PRO A 37 7.858 4.869 -2.980 1.00 1.00 H new ATOM 0 HB2 PRO A 37 9.728 6.170 -4.944 1.00 1.00 H new ATOM 0 HB3 PRO A 37 9.837 6.133 -3.196 1.00 1.00 H new ATOM 0 HG2 PRO A 37 11.494 4.582 -4.699 1.00 1.00 H new ATOM 0 HG3 PRO A 37 10.883 3.986 -3.168 1.00 1.00 H new ATOM 0 HD2 PRO A 37 9.905 3.352 -5.974 1.00 1.00 H new ATOM 0 HD3 PRO A 37 10.073 2.268 -4.607 1.00 1.00 H new ATOM 559 N PHE A 38 6.650 6.764 -4.328 1.00 1.00 N ATOM 560 CA PHE A 38 5.767 7.633 -5.090 1.00 1.00 C ATOM 561 C PHE A 38 5.678 8.989 -4.391 1.00 1.00 C ATOM 562 O PHE A 38 6.207 9.165 -3.292 1.00 1.00 O ATOM 563 CB PHE A 38 4.373 6.997 -5.266 1.00 1.00 C ATOM 564 CG PHE A 38 3.431 7.144 -4.086 1.00 1.00 C ATOM 565 CD1 PHE A 38 3.561 6.335 -2.943 1.00 1.00 C ATOM 566 CD2 PHE A 38 2.418 8.117 -4.130 1.00 1.00 C ATOM 567 CE1 PHE A 38 2.663 6.486 -1.871 1.00 1.00 C ATOM 568 CE2 PHE A 38 1.549 8.289 -3.045 1.00 1.00 C ATOM 569 CZ PHE A 38 1.655 7.462 -1.918 1.00 1.00 C ATOM 0 H PHE A 38 6.771 7.053 -3.357 1.00 1.00 H new ATOM 0 HA PHE A 38 6.176 7.774 -6.090 1.00 1.00 H new ATOM 0 HB2 PHE A 38 3.900 7.439 -6.143 1.00 1.00 H new ATOM 0 HB3 PHE A 38 4.502 5.935 -5.475 1.00 1.00 H new ATOM 0 HD1 PHE A 38 4.349 5.599 -2.888 1.00 1.00 H new ATOM 0 HD2 PHE A 38 2.309 8.737 -5.007 1.00 1.00 H new ATOM 0 HE1 PHE A 38 2.750 5.846 -1.005 1.00 1.00 H new ATOM 0 HE2 PHE A 38 0.795 9.061 -3.077 1.00 1.00 H new ATOM 0 HZ PHE A 38 0.967 7.575 -1.093 1.00 1.00 H new ATOM 579 N VAL A 39 5.014 9.936 -5.046 1.00 1.00 N ATOM 580 CA VAL A 39 4.839 11.303 -4.590 1.00 1.00 C ATOM 581 C VAL A 39 3.521 11.410 -3.828 1.00 1.00 C ATOM 582 O VAL A 39 2.460 11.193 -4.412 1.00 1.00 O ATOM 583 CB VAL A 39 4.852 12.231 -5.823 1.00 1.00 C ATOM 584 CG1 VAL A 39 4.539 13.682 -5.441 1.00 1.00 C ATOM 585 CG2 VAL A 39 6.236 12.190 -6.496 1.00 1.00 C ATOM 0 H VAL A 39 4.566 9.761 -5.946 1.00 1.00 H new ATOM 0 HA VAL A 39 5.644 11.599 -3.917 1.00 1.00 H new ATOM 0 HB VAL A 39 4.083 11.874 -6.508 1.00 1.00 H new ATOM 0 HG11 VAL A 39 4.557 14.306 -6.335 1.00 1.00 H new ATOM 0 HG12 VAL A 39 3.551 13.733 -4.983 1.00 1.00 H new ATOM 0 HG13 VAL A 39 5.286 14.041 -4.733 1.00 1.00 H new ATOM 0 HG21 VAL A 39 6.237 12.847 -7.365 1.00 1.00 H new ATOM 0 HG22 VAL A 39 6.995 12.523 -5.788 1.00 1.00 H new ATOM 0 HG23 VAL A 39 6.457 11.170 -6.812 1.00 1.00 H new ATOM 595 N TYR A 40 3.586 11.750 -2.551 1.00 1.00 N ATOM 596 CA TYR A 40 2.457 12.035 -1.681 1.00 1.00 C ATOM 597 C TYR A 40 2.587 13.514 -1.268 1.00 1.00 C ATOM 598 O TYR A 40 3.591 14.150 -1.590 1.00 1.00 O ATOM 599 CB TYR A 40 2.480 11.006 -0.545 1.00 1.00 C ATOM 600 CG TYR A 40 1.649 11.331 0.668 1.00 1.00 C ATOM 601 CD1 TYR A 40 0.248 11.420 0.574 1.00 1.00 C ATOM 602 CD2 TYR A 40 2.293 11.557 1.896 1.00 1.00 C ATOM 603 CE1 TYR A 40 -0.507 11.730 1.715 1.00 1.00 C ATOM 604 CE2 TYR A 40 1.539 11.808 3.048 1.00 1.00 C ATOM 605 CZ TYR A 40 0.131 11.894 2.963 1.00 1.00 C ATOM 606 OH TYR A 40 -0.597 12.149 4.074 1.00 1.00 O ATOM 0 H TYR A 40 4.479 11.840 -2.066 1.00 1.00 H new ATOM 0 HA TYR A 40 1.474 11.931 -2.141 1.00 1.00 H new ATOM 0 HB2 TYR A 40 2.143 10.049 -0.944 1.00 1.00 H new ATOM 0 HB3 TYR A 40 3.514 10.872 -0.226 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -0.244 11.250 -0.372 1.00 1.00 H new ATOM 0 HD2 TYR A 40 3.371 11.537 1.951 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -1.578 11.843 1.638 1.00 1.00 H new ATOM 0 HE2 TYR A 40 2.032 11.936 4.000 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.293 12.807 3.865 1.00 1.00 H new ATOM 616 N GLY A 41 1.586 14.098 -0.607 1.00 1.00 N ATOM 617 CA GLY A 41 1.557 15.524 -0.290 1.00 1.00 C ATOM 618 C GLY A 41 1.482 15.866 1.196 1.00 1.00 C ATOM 619 O GLY A 41 1.401 17.045 1.527 1.00 1.00 O ATOM 0 H GLY A 41 0.767 13.589 -0.275 1.00 1.00 H new ATOM 0 HA2 GLY A 41 2.450 15.989 -0.707 1.00 1.00 H new ATOM 0 HA3 GLY A 41 0.700 15.973 -0.792 1.00 1.00 H new ATOM 623 N GLY A 42 1.486 14.885 2.100 1.00 1.00 N ATOM 624 CA GLY A 42 1.461 15.101 3.550 1.00 1.00 C ATOM 625 C GLY A 42 0.053 15.329 4.100 1.00 1.00 C ATOM 626 O GLY A 42 -0.254 14.864 5.194 1.00 1.00 O ATOM 0 H GLY A 42 1.507 13.899 1.841 1.00 1.00 H new ATOM 0 HA2 GLY A 42 1.903 14.238 4.047 1.00 1.00 H new ATOM 0 HA3 GLY A 42 2.083 15.962 3.793 1.00 1.00 H new ATOM 630 N CYS A 43 -0.786 16.051 3.363 1.00 1.00 N ATOM 631 CA CYS A 43 -2.201 16.252 3.655 1.00 1.00 C ATOM 632 C CYS A 43 -2.970 14.990 3.229 1.00 1.00 C ATOM 633 O CYS A 43 -2.366 13.952 2.942 1.00 1.00 O ATOM 634 CB CYS A 43 -2.709 17.528 2.978 1.00 1.00 C ATOM 635 SG CYS A 43 -2.285 17.706 1.238 1.00 1.00 S ATOM 0 H CYS A 43 -0.487 16.530 2.514 1.00 1.00 H new ATOM 0 HA CYS A 43 -2.362 16.397 4.723 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -3.794 17.562 3.074 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -2.314 18.387 3.520 1.00 1.00 H new ATOM 640 N GLU A 44 -4.299 15.052 3.293 1.00 1.00 N ATOM 641 CA GLU A 44 -5.257 14.011 2.930 1.00 1.00 C ATOM 642 C GLU A 44 -4.781 13.172 1.736 1.00 1.00 C ATOM 643 O GLU A 44 -4.385 13.701 0.697 1.00 1.00 O ATOM 644 CB GLU A 44 -6.625 14.626 2.591 1.00 1.00 C ATOM 645 CG GLU A 44 -7.207 15.515 3.696 1.00 1.00 C ATOM 646 CD GLU A 44 -6.645 16.940 3.633 1.00 1.00 C ATOM 647 OE1 GLU A 44 -7.077 17.710 2.750 1.00 1.00 O ATOM 648 OE2 GLU A 44 -5.699 17.212 4.406 1.00 1.00 O ATOM 0 H GLU A 44 -4.768 15.895 3.625 1.00 1.00 H new ATOM 0 HA GLU A 44 -5.345 13.356 3.797 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -6.530 15.215 1.679 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -7.329 13.822 2.379 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -8.293 15.548 3.603 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -6.984 15.079 4.670 1.00 1.00 H new ATOM 655 N GLY A 45 -4.894 11.852 1.854 1.00 1.00 N ATOM 656 CA GLY A 45 -4.594 10.873 0.825 1.00 1.00 C ATOM 657 C GLY A 45 -5.210 9.547 1.264 1.00 1.00 C ATOM 658 O GLY A 45 -5.761 9.459 2.365 1.00 1.00 O ATOM 0 H GLY A 45 -5.215 11.418 2.719 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -5.003 11.187 -0.135 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -3.517 10.771 0.694 1.00 1.00 H new ATOM 662 N ASN A 46 -5.121 8.507 0.431 1.00 1.00 N ATOM 663 CA ASN A 46 -5.800 7.247 0.733 1.00 1.00 C ATOM 664 C ASN A 46 -4.837 6.309 1.463 1.00 1.00 C ATOM 665 O ASN A 46 -3.648 6.584 1.618 1.00 1.00 O ATOM 666 CB ASN A 46 -6.389 6.539 -0.506 1.00 1.00 C ATOM 667 CG ASN A 46 -7.261 7.379 -1.440 1.00 1.00 C ATOM 668 OD1 ASN A 46 -8.150 6.740 -2.183 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 -7.158 8.593 -1.520 1.00 1.00 N flip ATOM 0 H ASN A 46 -4.595 8.512 -0.443 1.00 1.00 H new ATOM 0 HA ASN A 46 -6.650 7.498 1.368 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -5.562 6.134 -1.089 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -6.981 5.691 -0.161 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -6.473 9.086 -0.947 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -7.757 9.115 -2.160 1.00 1.00 H new ATOM 676 N GLY A 47 -5.359 5.146 1.848 1.00 1.00 N ATOM 677 CA GLY A 47 -4.677 4.153 2.670 1.00 1.00 C ATOM 678 C GLY A 47 -3.512 3.425 2.005 1.00 1.00 C ATOM 679 O GLY A 47 -2.767 2.756 2.715 1.00 1.00 O ATOM 0 H GLY A 47 -6.303 4.861 1.586 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -4.307 4.646 3.569 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -5.408 3.411 2.991 1.00 1.00 H new ATOM 683 N ASN A 48 -3.331 3.508 0.679 1.00 1.00 N ATOM 684 CA ASN A 48 -2.148 2.933 0.037 1.00 1.00 C ATOM 685 C ASN A 48 -1.039 3.971 0.155 1.00 1.00 C ATOM 686 O ASN A 48 -0.669 4.639 -0.814 1.00 1.00 O ATOM 687 CB ASN A 48 -2.409 2.468 -1.405 1.00 1.00 C ATOM 688 CG ASN A 48 -1.214 1.700 -1.982 1.00 1.00 C ATOM 689 OD1 ASN A 48 -0.184 1.497 -1.347 1.00 1.00 O ATOM 690 ND2 ASN A 48 -1.323 1.233 -3.208 1.00 1.00 N ATOM 0 H ASN A 48 -3.982 3.963 0.039 1.00 1.00 H new ATOM 0 HA ASN A 48 -1.850 2.013 0.540 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -3.294 1.832 -1.427 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -2.622 3.333 -2.033 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -0.554 0.707 -3.623 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -2.176 1.398 -3.742 1.00 1.00 H new ATOM 697 N ASN A 49 -0.580 4.159 1.391 1.00 1.00 N ATOM 698 CA ASN A 49 0.468 5.084 1.757 1.00 1.00 C ATOM 699 C ASN A 49 1.301 4.359 2.800 1.00 1.00 C ATOM 700 O ASN A 49 0.866 4.151 3.938 1.00 1.00 O ATOM 701 CB ASN A 49 -0.189 6.349 2.334 1.00 1.00 C ATOM 702 CG ASN A 49 0.807 7.428 2.740 1.00 1.00 C ATOM 703 OD1 ASN A 49 1.756 7.204 3.486 1.00 1.00 O ATOM 704 ND2 ASN A 49 0.597 8.642 2.260 1.00 1.00 N ATOM 0 H ASN A 49 -0.950 3.645 2.191 1.00 1.00 H new ATOM 0 HA ASN A 49 1.094 5.390 0.919 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -0.875 6.761 1.594 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -0.786 6.073 3.203 1.00 1.00 H new ATOM 0 HD21 ASN A 49 1.227 9.405 2.509 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -0.195 8.816 1.641 1.00 1.00 H new ATOM 711 N PHE A 50 2.536 4.045 2.432 1.00 1.00 N ATOM 712 CA PHE A 50 3.452 3.283 3.246 1.00 1.00 C ATOM 713 C PHE A 50 4.637 4.153 3.541 1.00 1.00 C ATOM 714 O PHE A 50 5.050 5.039 2.789 1.00 1.00 O ATOM 715 CB PHE A 50 3.795 1.925 2.638 1.00 1.00 C ATOM 716 CG PHE A 50 2.558 1.051 2.652 1.00 1.00 C ATOM 717 CD1 PHE A 50 2.222 0.364 3.832 1.00 1.00 C ATOM 718 CD2 PHE A 50 1.662 1.050 1.567 1.00 1.00 C ATOM 719 CE1 PHE A 50 0.993 -0.306 3.938 1.00 1.00 C ATOM 720 CE2 PHE A 50 0.436 0.372 1.671 1.00 1.00 C ATOM 721 CZ PHE A 50 0.092 -0.284 2.863 1.00 1.00 C ATOM 0 H PHE A 50 2.931 4.324 1.534 1.00 1.00 H new ATOM 0 HA PHE A 50 2.982 3.013 4.192 1.00 1.00 H new ATOM 0 HB2 PHE A 50 4.156 2.050 1.617 1.00 1.00 H new ATOM 0 HB3 PHE A 50 4.597 1.451 3.204 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.913 0.352 4.662 1.00 1.00 H new ATOM 0 HD2 PHE A 50 1.917 1.570 0.655 1.00 1.00 H new ATOM 0 HE1 PHE A 50 0.742 -0.837 4.844 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -0.243 0.356 0.832 1.00 1.00 H new ATOM 0 HZ PHE A 50 -0.867 -0.772 2.953 1.00 1.00 H new ATOM 731 N HIS A 51 5.205 3.819 4.677 1.00 1.00 N ATOM 732 CA HIS A 51 6.274 4.537 5.325 1.00 1.00 C ATOM 733 C HIS A 51 7.629 3.982 4.940 1.00 1.00 C ATOM 734 O HIS A 51 8.650 4.621 5.163 1.00 1.00 O ATOM 735 CB HIS A 51 6.036 4.305 6.826 1.00 1.00 C ATOM 736 CG HIS A 51 4.560 4.330 7.215 1.00 1.00 C ATOM 737 ND1 HIS A 51 3.851 3.222 7.661 1.00 1.00 N ATOM 738 CD2 HIS A 51 3.645 5.254 6.767 1.00 1.00 C ATOM 739 CE1 HIS A 51 2.539 3.463 7.460 1.00 1.00 C ATOM 740 NE2 HIS A 51 2.390 4.688 6.911 1.00 1.00 N ATOM 0 H HIS A 51 4.916 2.993 5.201 1.00 1.00 H new ATOM 0 HA HIS A 51 6.275 5.590 5.042 1.00 1.00 H new ATOM 0 HB2 HIS A 51 6.463 3.343 7.110 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.567 5.069 7.393 1.00 1.00 H new ATOM 0 HD2 HIS A 51 3.864 6.237 6.376 1.00 1.00 H new ATOM 0 HE1 HIS A 51 1.735 2.784 7.700 1.00 1.00 H new ATOM 0 HE2 HIS A 51 1.505 5.121 6.648 1.00 1.00 H new ATOM 749 N SER A 52 7.616 2.813 4.324 1.00 1.00 N ATOM 750 CA SER A 52 8.817 2.070 4.012 1.00 1.00 C ATOM 751 C SER A 52 8.516 1.019 2.956 1.00 1.00 C ATOM 752 O SER A 52 7.356 0.730 2.656 1.00 1.00 O ATOM 753 CB SER A 52 9.275 1.392 5.323 1.00 1.00 C ATOM 754 OG SER A 52 8.134 0.930 6.034 1.00 1.00 O ATOM 0 H SER A 52 6.758 2.350 4.024 1.00 1.00 H new ATOM 0 HA SER A 52 9.595 2.725 3.620 1.00 1.00 H new ATOM 0 HB2 SER A 52 9.942 0.559 5.102 1.00 1.00 H new ATOM 0 HB3 SER A 52 9.838 2.098 5.934 1.00 1.00 H new ATOM 0 HG SER A 52 8.412 0.276 6.709 1.00 1.00 H new ATOM 760 N ARG A 53 9.585 0.445 2.407 1.00 1.00 N ATOM 761 CA ARG A 53 9.494 -0.678 1.483 1.00 1.00 C ATOM 762 C ARG A 53 8.877 -1.856 2.242 1.00 1.00 C ATOM 763 O ARG A 53 7.953 -2.471 1.735 1.00 1.00 O ATOM 764 CB ARG A 53 10.879 -0.984 0.919 1.00 1.00 C ATOM 765 CG ARG A 53 10.904 -2.229 0.032 1.00 1.00 C ATOM 766 CD ARG A 53 10.012 -2.241 -1.218 1.00 1.00 C ATOM 767 NE ARG A 53 10.102 -3.581 -1.799 1.00 1.00 N ATOM 768 CZ ARG A 53 10.274 -4.031 -3.042 1.00 1.00 C ATOM 769 NH1 ARG A 53 10.048 -3.296 -4.130 1.00 1.00 N ATOM 770 NH2 ARG A 53 10.669 -5.284 -3.175 1.00 1.00 N ATOM 0 H ARG A 53 10.541 0.749 2.593 1.00 1.00 H new ATOM 0 HA ARG A 53 8.856 -0.454 0.628 1.00 1.00 H new ATOM 0 HB2 ARG A 53 11.227 -0.127 0.342 1.00 1.00 H new ATOM 0 HB3 ARG A 53 11.579 -1.119 1.744 1.00 1.00 H new ATOM 0 HG2 ARG A 53 11.933 -2.389 -0.290 1.00 1.00 H new ATOM 0 HG3 ARG A 53 10.627 -3.084 0.649 1.00 1.00 H new ATOM 0 HD2 ARG A 53 8.981 -2.003 -0.957 1.00 1.00 H new ATOM 0 HD3 ARG A 53 10.342 -1.488 -1.934 1.00 1.00 H new ATOM 0 HE ARG A 53 10.015 -4.327 -1.109 1.00 1.00 H new ATOM 0 HH11 ARG A 53 9.725 -2.333 -4.037 1.00 1.00 H new ATOM 0 HH12 ARG A 53 10.198 -3.696 -5.056 1.00 1.00 H new ATOM 0 HH21 ARG A 53 10.828 -5.859 -2.348 1.00 1.00 H new ATOM 0 HH22 ARG A 53 10.815 -5.677 -4.105 1.00 1.00 H new ATOM 784 N GLU A 54 9.377 -2.091 3.456 1.00 1.00 N ATOM 785 CA GLU A 54 8.954 -3.079 4.443 1.00 1.00 C ATOM 786 C GLU A 54 7.441 -3.082 4.646 1.00 1.00 C ATOM 787 O GLU A 54 6.787 -4.026 4.223 1.00 1.00 O ATOM 788 CB GLU A 54 9.743 -2.705 5.714 1.00 1.00 C ATOM 789 CG GLU A 54 9.246 -3.168 7.096 1.00 1.00 C ATOM 790 CD GLU A 54 9.012 -1.930 7.972 1.00 1.00 C ATOM 791 OE1 GLU A 54 8.200 -1.076 7.535 1.00 1.00 O ATOM 792 OE2 GLU A 54 9.729 -1.747 8.971 1.00 1.00 O ATOM 0 H GLU A 54 10.163 -1.541 3.803 1.00 1.00 H new ATOM 0 HA GLU A 54 9.165 -4.102 4.130 1.00 1.00 H new ATOM 0 HB2 GLU A 54 10.756 -3.087 5.590 1.00 1.00 H new ATOM 0 HB3 GLU A 54 9.813 -1.618 5.743 1.00 1.00 H new ATOM 0 HG2 GLU A 54 8.323 -3.739 6.994 1.00 1.00 H new ATOM 0 HG3 GLU A 54 9.979 -3.827 7.561 1.00 1.00 H new ATOM 799 N SER A 55 6.876 -2.007 5.200 1.00 1.00 N ATOM 800 CA SER A 55 5.442 -1.967 5.520 1.00 1.00 C ATOM 801 C SER A 55 4.567 -2.175 4.271 1.00 1.00 C ATOM 802 O SER A 55 3.482 -2.760 4.309 1.00 1.00 O ATOM 803 CB SER A 55 5.088 -0.679 6.288 1.00 1.00 C ATOM 804 OG SER A 55 5.504 0.540 5.675 1.00 1.00 O ATOM 0 H SER A 55 7.384 -1.155 5.437 1.00 1.00 H new ATOM 0 HA SER A 55 5.221 -2.805 6.181 1.00 1.00 H new ATOM 0 HB2 SER A 55 4.007 -0.645 6.425 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.534 -0.736 7.281 1.00 1.00 H new ATOM 0 HG SER A 55 6.481 0.554 5.604 1.00 1.00 H new ATOM 810 N CYS A 56 5.051 -1.674 3.141 1.00 1.00 N ATOM 811 CA CYS A 56 4.358 -1.801 1.884 1.00 1.00 C ATOM 812 C CYS A 56 4.356 -3.244 1.406 1.00 1.00 C ATOM 813 O CYS A 56 3.317 -3.735 0.974 1.00 1.00 O ATOM 814 CB CYS A 56 5.061 -0.890 0.891 1.00 1.00 C ATOM 815 SG CYS A 56 4.029 -0.456 -0.508 1.00 1.00 S ATOM 0 H CYS A 56 5.936 -1.170 3.080 1.00 1.00 H new ATOM 0 HA CYS A 56 3.313 -1.511 1.990 1.00 1.00 H new ATOM 0 HB2 CYS A 56 5.375 0.021 1.401 1.00 1.00 H new ATOM 0 HB3 CYS A 56 5.965 -1.382 0.531 1.00 1.00 H new ATOM 820 N GLU A 57 5.513 -3.902 1.457 1.00 1.00 N ATOM 821 CA GLU A 57 5.574 -5.323 1.139 1.00 1.00 C ATOM 822 C GLU A 57 4.726 -6.131 2.115 1.00 1.00 C ATOM 823 O GLU A 57 4.123 -7.104 1.675 1.00 1.00 O ATOM 824 CB GLU A 57 6.994 -5.859 0.910 1.00 1.00 C ATOM 825 CG GLU A 57 7.452 -5.437 -0.498 1.00 1.00 C ATOM 826 CD GLU A 57 8.627 -6.251 -1.045 1.00 1.00 C ATOM 827 OE1 GLU A 57 9.782 -6.000 -0.628 1.00 1.00 O ATOM 828 OE2 GLU A 57 8.443 -6.929 -2.081 1.00 1.00 O ATOM 0 H GLU A 57 6.406 -3.480 1.711 1.00 1.00 H new ATOM 0 HA GLU A 57 5.121 -5.456 0.157 1.00 1.00 H new ATOM 0 HB2 GLU A 57 7.675 -5.464 1.664 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.009 -6.945 1.004 1.00 1.00 H new ATOM 0 HG2 GLU A 57 6.610 -5.528 -1.184 1.00 1.00 H new ATOM 0 HG3 GLU A 57 7.733 -4.384 -0.476 1.00 1.00 H new ATOM 835 N ASP A 58 4.627 -5.730 3.392 1.00 1.00 N ATOM 836 CA ASP A 58 3.711 -6.387 4.329 1.00 1.00 C ATOM 837 C ASP A 58 2.288 -6.258 3.788 1.00 1.00 C ATOM 838 O ASP A 58 1.567 -7.255 3.804 1.00 1.00 O ATOM 839 CB ASP A 58 3.774 -5.836 5.765 1.00 1.00 C ATOM 840 CG ASP A 58 2.536 -6.271 6.573 1.00 1.00 C ATOM 841 OD1 ASP A 58 2.480 -7.444 7.005 1.00 1.00 O ATOM 842 OD2 ASP A 58 1.594 -5.458 6.721 1.00 1.00 O ATOM 0 H ASP A 58 5.165 -4.962 3.794 1.00 1.00 H new ATOM 0 HA ASP A 58 4.022 -7.429 4.400 1.00 1.00 H new ATOM 0 HB2 ASP A 58 4.679 -6.193 6.257 1.00 1.00 H new ATOM 0 HB3 ASP A 58 3.833 -4.748 5.740 1.00 1.00 H new ATOM 847 N ALA A 59 1.887 -5.085 3.257 1.00 1.00 N ATOM 848 CA ALA A 59 0.573 -4.969 2.630 1.00 1.00 C ATOM 849 C ALA A 59 0.445 -6.019 1.524 1.00 1.00 C ATOM 850 O ALA A 59 -0.420 -6.891 1.622 1.00 1.00 O ATOM 851 CB ALA A 59 0.290 -3.548 2.143 1.00 1.00 C ATOM 0 H ALA A 59 2.444 -4.230 3.253 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.196 -5.169 3.376 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -0.698 -3.511 1.684 1.00 1.00 H new ATOM 0 HB2 ALA A 59 0.324 -2.860 2.988 1.00 1.00 H new ATOM 0 HB3 ALA A 59 1.042 -3.258 1.409 1.00 1.00 H new ATOM 857 N CYS A 60 1.297 -5.944 0.500 1.00 1.00 N ATOM 858 CA CYS A 60 1.417 -6.920 -0.567 1.00 1.00 C ATOM 859 C CYS A 60 2.797 -6.906 -1.235 1.00 1.00 C ATOM 860 O CYS A 60 3.415 -5.845 -1.312 1.00 1.00 O ATOM 861 CB CYS A 60 0.339 -6.729 -1.633 1.00 1.00 C ATOM 862 SG CYS A 60 -1.307 -7.420 -1.350 1.00 1.00 S ATOM 0 H CYS A 60 1.947 -5.165 0.394 1.00 1.00 H new ATOM 0 HA CYS A 60 1.282 -7.890 -0.088 1.00 1.00 H new ATOM 0 HB2 CYS A 60 0.222 -5.657 -1.794 1.00 1.00 H new ATOM 0 HB3 CYS A 60 0.718 -7.152 -2.563 1.00 1.00 H new ATOM 867 N PRO A 61 3.213 -7.994 -1.919 1.00 1.00 N ATOM 868 CA PRO A 61 2.440 -9.200 -2.224 1.00 1.00 C ATOM 869 C PRO A 61 2.380 -10.208 -1.063 1.00 1.00 C ATOM 870 O PRO A 61 3.310 -10.979 -0.837 1.00 1.00 O ATOM 871 CB PRO A 61 3.122 -9.788 -3.466 1.00 1.00 C ATOM 872 CG PRO A 61 4.590 -9.406 -3.272 1.00 1.00 C ATOM 873 CD PRO A 61 4.502 -8.039 -2.597 1.00 1.00 C ATOM 0 HA PRO A 61 1.391 -8.958 -2.396 1.00 1.00 H new ATOM 0 HB2 PRO A 61 2.991 -10.869 -3.524 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.715 -9.368 -4.386 1.00 1.00 H new ATOM 0 HG2 PRO A 61 5.117 -10.130 -2.650 1.00 1.00 H new ATOM 0 HG3 PRO A 61 5.123 -9.354 -4.222 1.00 1.00 H new ATOM 0 HD2 PRO A 61 5.318 -7.904 -1.888 1.00 1.00 H new ATOM 0 HD3 PRO A 61 4.582 -7.238 -3.332 1.00 1.00 H new ATOM 881 N VAL A 62 1.260 -10.216 -0.345 1.00 1.00 N ATOM 882 CA VAL A 62 0.953 -11.031 0.823 1.00 1.00 C ATOM 883 C VAL A 62 -0.537 -11.378 0.689 1.00 1.00 C ATOM 884 O VAL A 62 -1.200 -11.014 -0.287 1.00 1.00 O ATOM 885 CB VAL A 62 1.328 -10.260 2.125 1.00 1.00 C ATOM 886 CG1 VAL A 62 1.035 -10.993 3.450 1.00 1.00 C ATOM 887 CG2 VAL A 62 2.832 -9.946 2.157 1.00 1.00 C ATOM 0 H VAL A 62 0.482 -9.602 -0.586 1.00 1.00 H new ATOM 0 HA VAL A 62 1.531 -11.953 0.883 1.00 1.00 H new ATOM 0 HB VAL A 62 0.694 -9.375 2.073 1.00 1.00 H new ATOM 0 HG11 VAL A 62 1.335 -10.364 4.288 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -0.032 -11.206 3.520 1.00 1.00 H new ATOM 0 HG13 VAL A 62 1.594 -11.928 3.480 1.00 1.00 H new ATOM 0 HG21 VAL A 62 3.072 -9.408 3.074 1.00 1.00 H new ATOM 0 HG22 VAL A 62 3.399 -10.876 2.124 1.00 1.00 H new ATOM 0 HG23 VAL A 62 3.094 -9.331 1.296 1.00 1.00 H new ATOM 897 N VAL A 63 -1.065 -12.144 1.634 1.00 1.00 N ATOM 898 CA VAL A 63 -2.481 -12.455 1.708 1.00 1.00 C ATOM 899 C VAL A 63 -3.219 -11.190 2.168 1.00 1.00 C ATOM 900 O VAL A 63 -2.681 -10.389 2.931 1.00 1.00 O ATOM 901 CB VAL A 63 -2.712 -13.635 2.675 1.00 1.00 C ATOM 902 CG1 VAL A 63 -4.135 -14.210 2.561 1.00 1.00 C ATOM 903 CG2 VAL A 63 -1.725 -14.799 2.461 1.00 1.00 C ATOM 0 H VAL A 63 -0.513 -12.571 2.378 1.00 1.00 H new ATOM 0 HA VAL A 63 -2.865 -12.759 0.734 1.00 1.00 H new ATOM 0 HB VAL A 63 -2.554 -13.206 3.664 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -4.250 -15.038 3.261 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -4.862 -13.432 2.797 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -4.303 -14.567 1.545 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -1.942 -15.596 3.173 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -1.828 -15.181 1.446 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -0.706 -14.444 2.613 1.00 1.00 H new ATOM 913 N ASP A 64 -4.479 -11.067 1.749 1.00 1.00 N ATOM 914 CA ASP A 64 -5.414 -10.020 2.163 1.00 1.00 C ATOM 915 C ASP A 64 -5.410 -9.924 3.691 1.00 1.00 C ATOM 916 O ASP A 64 -5.596 -10.936 4.376 1.00 1.00 O ATOM 917 CB ASP A 64 -6.818 -10.373 1.642 1.00 1.00 C ATOM 918 CG ASP A 64 -7.928 -9.647 2.406 1.00 1.00 C ATOM 919 OD1 ASP A 64 -8.181 -8.462 2.115 1.00 1.00 O ATOM 920 OD2 ASP A 64 -8.526 -10.274 3.312 1.00 1.00 O ATOM 0 H ASP A 64 -4.893 -11.721 1.085 1.00 1.00 H new ATOM 0 HA ASP A 64 -5.118 -9.055 1.751 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -6.884 -10.119 0.584 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -6.971 -11.449 1.721 1.00 1.00 H new ATOM 925 N HIS A 65 -5.182 -8.727 4.238 1.00 1.00 N ATOM 926 CA HIS A 65 -5.153 -8.464 5.665 1.00 1.00 C ATOM 927 C HIS A 65 -6.610 -8.474 6.133 1.00 1.00 C ATOM 928 O HIS A 65 -7.178 -7.428 6.410 1.00 1.00 O ATOM 929 CB HIS A 65 -4.393 -7.149 5.928 1.00 1.00 C ATOM 930 CG HIS A 65 -2.926 -7.234 5.548 1.00 1.00 C ATOM 931 ND1 HIS A 65 -1.842 -7.240 6.419 1.00 1.00 N ATOM 932 CD2 HIS A 65 -2.437 -7.350 4.271 1.00 1.00 C ATOM 933 CE1 HIS A 65 -0.729 -7.389 5.680 1.00 1.00 C ATOM 934 NE2 HIS A 65 -1.071 -7.469 4.382 1.00 1.00 N ATOM 0 H HIS A 65 -5.008 -7.894 3.676 1.00 1.00 H new ATOM 0 HA HIS A 65 -4.611 -9.216 6.238 1.00 1.00 H new ATOM 0 HB2 HIS A 65 -4.864 -6.343 5.365 1.00 1.00 H new ATOM 0 HB3 HIS A 65 -4.476 -6.891 6.984 1.00 1.00 H new ATOM 0 HD2 HIS A 65 -3.012 -7.348 3.357 1.00 1.00 H new ATOM 0 HE1 HIS A 65 0.278 -7.437 6.067 1.00 1.00 H new ATOM 0 HE2 HIS A 65 -0.422 -7.597 3.605 1.00 1.00 H new ATOM 943 N HIS A 66 -7.170 -9.672 6.315 1.00 1.00 N ATOM 944 CA HIS A 66 -8.562 -10.030 6.615 1.00 1.00 C ATOM 945 C HIS A 66 -9.424 -9.097 7.476 1.00 1.00 C ATOM 946 O HIS A 66 -9.776 -9.402 8.612 1.00 1.00 O ATOM 947 CB HIS A 66 -8.616 -11.479 7.135 1.00 1.00 C ATOM 948 CG HIS A 66 -8.002 -12.493 6.196 1.00 1.00 C ATOM 949 ND1 HIS A 66 -8.080 -12.462 4.816 1.00 1.00 N ATOM 950 CD2 HIS A 66 -7.203 -13.547 6.554 1.00 1.00 C ATOM 951 CE1 HIS A 66 -7.330 -13.471 4.342 1.00 1.00 C ATOM 952 NE2 HIS A 66 -6.791 -14.149 5.377 1.00 1.00 N ATOM 0 H HIS A 66 -6.594 -10.511 6.248 1.00 1.00 H new ATOM 0 HA HIS A 66 -9.051 -9.906 5.649 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -8.101 -11.529 8.094 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -9.656 -11.750 7.317 1.00 1.00 H new ATOM 0 HD1 HIS A 66 -8.611 -11.793 4.258 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -6.945 -13.849 7.558 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -7.182 -13.703 3.298 1.00 1.00 H new ATOM 961 N HIS A 67 -9.858 -7.998 6.868 1.00 1.00 N ATOM 962 CA HIS A 67 -10.804 -7.018 7.395 1.00 1.00 C ATOM 963 C HIS A 67 -12.168 -7.648 7.119 1.00 1.00 C ATOM 964 O HIS A 67 -12.451 -7.994 5.967 1.00 1.00 O ATOM 965 CB HIS A 67 -10.680 -5.646 6.679 1.00 1.00 C ATOM 966 CG HIS A 67 -9.791 -5.658 5.459 1.00 1.00 C ATOM 967 ND1 HIS A 67 -8.526 -5.106 5.393 1.00 1.00 N ATOM 968 CD2 HIS A 67 -9.990 -6.419 4.340 1.00 1.00 C ATOM 969 CE1 HIS A 67 -7.943 -5.572 4.276 1.00 1.00 C ATOM 970 NE2 HIS A 67 -8.811 -6.371 3.630 1.00 1.00 N ATOM 0 H HIS A 67 -9.538 -7.751 5.932 1.00 1.00 H new ATOM 0 HA HIS A 67 -10.630 -6.808 8.450 1.00 1.00 H new ATOM 0 HB2 HIS A 67 -11.675 -5.312 6.385 1.00 1.00 H new ATOM 0 HB3 HIS A 67 -10.294 -4.913 7.388 1.00 1.00 H new ATOM 0 HD2 HIS A 67 -10.890 -6.950 4.068 1.00 1.00 H new ATOM 0 HE1 HIS A 67 -6.940 -5.342 3.949 1.00 1.00 H new ATOM 0 HE2 HIS A 67 -8.626 -6.862 2.755 1.00 1.00 H new ATOM 979 N HIS A 68 -13.008 -7.839 8.137 1.00 1.00 N ATOM 980 CA HIS A 68 -14.380 -8.329 7.987 1.00 1.00 C ATOM 981 C HIS A 68 -15.280 -7.285 7.285 1.00 1.00 C ATOM 982 O HIS A 68 -16.242 -6.797 7.879 1.00 1.00 O ATOM 983 CB HIS A 68 -14.910 -8.755 9.377 1.00 1.00 C ATOM 984 CG HIS A 68 -16.310 -9.323 9.340 1.00 1.00 C ATOM 985 ND1 HIS A 68 -17.462 -8.627 9.664 1.00 1.00 N ATOM 986 CD2 HIS A 68 -16.676 -10.466 8.690 1.00 1.00 C ATOM 987 CE1 HIS A 68 -18.508 -9.323 9.179 1.00 1.00 C ATOM 988 NE2 HIS A 68 -18.052 -10.446 8.591 1.00 1.00 N ATOM 0 H HIS A 68 -12.750 -7.654 9.106 1.00 1.00 H new ATOM 0 HA HIS A 68 -14.395 -9.203 7.336 1.00 1.00 H new ATOM 0 HB2 HIS A 68 -14.236 -9.499 9.802 1.00 1.00 H new ATOM 0 HB3 HIS A 68 -14.894 -7.892 10.043 1.00 1.00 H new ATOM 0 HD2 HIS A 68 -16.015 -11.238 8.324 1.00 1.00 H new ATOM 0 HE1 HIS A 68 -19.545 -9.028 9.250 1.00 1.00 H new ATOM 0 HE2 HIS A 68 -18.628 -11.162 8.147 1.00 1.00 H new ATOM 997 N HIS A 69 -15.015 -6.948 6.014 1.00 1.00 N ATOM 998 CA HIS A 69 -15.900 -6.063 5.245 1.00 1.00 C ATOM 999 C HIS A 69 -17.193 -6.799 4.865 1.00 1.00 C ATOM 1000 O HIS A 69 -18.206 -6.164 4.589 1.00 1.00 O ATOM 1001 CB HIS A 69 -15.185 -5.483 4.004 1.00 1.00 C ATOM 1002 CG HIS A 69 -15.723 -4.145 3.521 1.00 1.00 C ATOM 1003 ND1 HIS A 69 -15.067 -3.268 2.665 1.00 1.00 N ATOM 1004 CD2 HIS A 69 -16.845 -3.502 3.980 1.00 1.00 C ATOM 1005 CE1 HIS A 69 -15.783 -2.131 2.620 1.00 1.00 C ATOM 1006 NE2 HIS A 69 -16.852 -2.239 3.431 1.00 1.00 N ATOM 0 H HIS A 69 -14.197 -7.274 5.499 1.00 1.00 H new ATOM 0 HA HIS A 69 -16.168 -5.216 5.877 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -14.125 -5.371 4.233 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -15.260 -6.204 3.190 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -17.587 -3.912 4.649 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -15.538 -1.264 2.025 1.00 1.00 H new ATOM 0 HE2 HIS A 69 -17.546 -1.513 3.608 1.00 1.00 H new ATOM 1015 N HIS A 70 -17.178 -8.130 4.829 1.00 1.00 N ATOM 1016 CA HIS A 70 -18.313 -9.008 4.621 1.00 1.00 C ATOM 1017 C HIS A 70 -18.035 -10.181 5.545 1.00 1.00 C ATOM 1018 O HIS A 70 -16.842 -10.455 5.785 1.00 1.00 O ATOM 1019 CB HIS A 70 -18.431 -9.440 3.148 1.00 1.00 C ATOM 1020 CG HIS A 70 -19.662 -10.268 2.840 1.00 1.00 C ATOM 1021 ND1 HIS A 70 -20.317 -11.106 3.724 1.00 1.00 N ATOM 1022 CD2 HIS A 70 -20.316 -10.327 1.640 1.00 1.00 C ATOM 1023 CE1 HIS A 70 -21.356 -11.664 3.075 1.00 1.00 C ATOM 1024 NE2 HIS A 70 -21.375 -11.205 1.804 1.00 1.00 N ATOM 1025 OXT HIS A 70 -19.014 -10.774 6.055 1.00 1.00 O ATOM 0 H HIS A 70 -16.311 -8.652 4.953 1.00 1.00 H new ATOM 0 HA HIS A 70 -19.267 -8.528 4.841 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -18.439 -8.549 2.519 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -17.544 -10.013 2.877 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -20.058 -11.272 4.697 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -20.057 -9.792 0.738 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -22.060 -12.364 3.501 1.00 1.00 H new TER 1034 HIS A 70