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 52 SER OG : rot 160:sc= 2.28 USER MOD Set 1.2: A 55 SER OG : rot -85:sc= 1.3 USER MOD Set 2.1: A 49 ASN : amide:sc= -0.189 K(o=-0.22,f=-2.1) USER MOD Set 2.2: A 51 HIS : no HD1:sc= -0.0295 X(o=-0.22,f=-0.19) USER MOD Set 3.1: A 29 SER OG : rot -110:sc= -0.586 USER MOD Set 3.2: A 36 HIS : no HE2:sc= 0.588 K(o=0.0018,f=-8.7!) USER MOD Set 4.1: A 1 GLU N :NH3+ 160:sc= 0.0165 (180deg=-0.255) USER MOD Set 4.2: A 66 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-4) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00126 USER MOD Single : A 16 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 28 TYR OH : rot 26:sc= 1.01 USER MOD Single : A 33 GLN : amide:sc= -0.0418 K(o=-0.042,f=-3.9!) USER MOD Single : A 34 GLN : amide:sc= -1.68 X(o=-1.7,f=-2!) USER MOD Single : A 40 TYR OH : rot -37:sc= 1 USER MOD Single : A 46 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.6) USER MOD Single : A 48 ASN : amide:sc= 1.51 K(o=1.5,f=-8.6!) USER MOD Single : A 65 HIS : no HE2:sc= 0.571 K(o=0.57,f=-6.7!) USER MOD Single : A 67 HIS : no HE2:sc= 0.612 K(o=0.67,f=-4.1!) USER MOD Single : A 68 HIS : no HD1:sc= -0.555 K(o=0.28,f=-8.3!) USER MOD Single : A 69 HIS : no HD1:sc= -0.31 K(o=0.47,f=-7.3!) USER MOD Single : A 70 HIS : no HE2:sc= 0.644 K(o=0.64,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.046 -8.809 7.280 1.00 1.00 N ATOM 2 CA GLU A 1 0.775 -9.191 5.879 1.00 1.00 C ATOM 3 C GLU A 1 -0.718 -9.006 5.593 1.00 1.00 C ATOM 4 O GLU A 1 -1.480 -8.730 6.522 1.00 1.00 O ATOM 5 CB GLU A 1 1.367 -10.557 5.524 1.00 1.00 C ATOM 6 CG GLU A 1 1.489 -10.735 4.007 1.00 1.00 C ATOM 7 CD GLU A 1 2.701 -11.586 3.645 1.00 1.00 C ATOM 8 OE1 GLU A 1 3.830 -11.073 3.763 1.00 1.00 O ATOM 9 OE2 GLU A 1 2.526 -12.780 3.305 1.00 1.00 O ATOM 0 H1 GLU A 1 1.944 -9.234 7.588 1.00 1.00 H new ATOM 0 H2 GLU A 1 1.111 -7.773 7.351 1.00 1.00 H new ATOM 0 H3 GLU A 1 0.274 -9.150 7.888 1.00 1.00 H new ATOM 0 HA GLU A 1 1.299 -8.526 5.193 1.00 1.00 H new ATOM 0 HB2 GLU A 1 2.350 -10.660 5.984 1.00 1.00 H new ATOM 0 HB3 GLU A 1 0.738 -11.346 5.935 1.00 1.00 H new ATOM 0 HG2 GLU A 1 0.584 -11.204 3.620 1.00 1.00 H new ATOM 0 HG3 GLU A 1 1.572 -9.759 3.530 1.00 1.00 H new ATOM 18 N ALA A 2 -1.170 -9.212 4.351 1.00 1.00 N ATOM 19 CA ALA A 2 -2.567 -9.519 4.076 1.00 1.00 C ATOM 20 C ALA A 2 -2.814 -10.905 4.675 1.00 1.00 C ATOM 21 O ALA A 2 -2.604 -11.923 4.015 1.00 1.00 O ATOM 22 CB ALA A 2 -2.848 -9.468 2.569 1.00 1.00 C ATOM 0 H ALA A 2 -0.580 -9.170 3.520 1.00 1.00 H new ATOM 0 HA ALA A 2 -3.244 -8.789 4.519 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -3.897 -9.700 2.386 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -2.626 -8.470 2.191 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -2.220 -10.197 2.057 1.00 1.00 H new ATOM 28 N GLU A 3 -3.145 -10.951 5.965 1.00 1.00 N ATOM 29 CA GLU A 3 -3.281 -12.204 6.716 1.00 1.00 C ATOM 30 C GLU A 3 -4.753 -12.623 6.730 1.00 1.00 C ATOM 31 O GLU A 3 -5.061 -13.804 6.872 1.00 1.00 O ATOM 32 CB GLU A 3 -2.630 -12.107 8.124 1.00 1.00 C ATOM 33 CG GLU A 3 -1.306 -11.307 8.109 1.00 1.00 C ATOM 34 CD GLU A 3 -0.017 -11.897 8.670 1.00 1.00 C ATOM 35 OE1 GLU A 3 0.288 -13.079 8.403 1.00 1.00 O ATOM 36 OE2 GLU A 3 0.848 -11.089 9.068 1.00 1.00 O ATOM 0 H GLU A 3 -3.328 -10.117 6.524 1.00 1.00 H new ATOM 0 HA GLU A 3 -2.725 -12.998 6.218 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -3.330 -11.633 8.813 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -2.440 -13.111 8.503 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -1.108 -11.040 7.071 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -1.490 -10.377 8.647 1.00 1.00 H new ATOM 43 N ALA A 4 -5.646 -11.644 6.563 1.00 1.00 N ATOM 44 CA ALA A 4 -7.073 -11.784 6.400 1.00 1.00 C ATOM 45 C ALA A 4 -7.327 -11.243 4.993 1.00 1.00 C ATOM 46 O ALA A 4 -7.469 -10.040 4.819 1.00 1.00 O ATOM 47 CB ALA A 4 -7.829 -11.028 7.499 1.00 1.00 C ATOM 0 H ALA A 4 -5.357 -10.666 6.538 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.431 -12.809 6.498 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -8.902 -11.150 7.352 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -7.548 -11.427 8.474 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -7.575 -9.969 7.453 1.00 1.00 H new ATOM 53 N GLU A 5 -7.313 -12.137 4.007 1.00 1.00 N ATOM 54 CA GLU A 5 -7.398 -11.967 2.549 1.00 1.00 C ATOM 55 C GLU A 5 -8.337 -10.878 1.993 1.00 1.00 C ATOM 56 O GLU A 5 -8.226 -10.545 0.813 1.00 1.00 O ATOM 57 CB GLU A 5 -7.592 -13.341 1.885 1.00 1.00 C ATOM 58 CG GLU A 5 -6.312 -14.178 2.051 1.00 1.00 C ATOM 59 CD GLU A 5 -6.466 -15.601 1.521 1.00 1.00 C ATOM 60 OE1 GLU A 5 -6.848 -16.494 2.308 1.00 1.00 O ATOM 61 OE2 GLU A 5 -6.079 -15.878 0.363 1.00 1.00 O ATOM 0 H GLU A 5 -7.231 -13.127 4.237 1.00 1.00 H new ATOM 0 HA GLU A 5 -6.437 -11.538 2.266 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -8.438 -13.858 2.337 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -7.822 -13.216 0.827 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -5.491 -13.687 1.528 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -6.041 -14.215 3.106 1.00 1.00 H new ATOM 68 N PHE A 6 -9.352 -10.453 2.753 1.00 1.00 N ATOM 69 CA PHE A 6 -10.273 -9.376 2.393 1.00 1.00 C ATOM 70 C PHE A 6 -9.557 -8.189 1.719 1.00 1.00 C ATOM 71 O PHE A 6 -8.454 -7.800 2.097 1.00 1.00 O ATOM 72 CB PHE A 6 -11.023 -8.919 3.654 1.00 1.00 C ATOM 73 CG PHE A 6 -11.996 -7.779 3.412 1.00 1.00 C ATOM 74 CD1 PHE A 6 -11.542 -6.447 3.460 1.00 1.00 C ATOM 75 CD2 PHE A 6 -13.340 -8.046 3.086 1.00 1.00 C ATOM 76 CE1 PHE A 6 -12.418 -5.391 3.164 1.00 1.00 C ATOM 77 CE2 PHE A 6 -14.222 -6.985 2.804 1.00 1.00 C ATOM 78 CZ PHE A 6 -13.758 -5.658 2.835 1.00 1.00 C ATOM 0 H PHE A 6 -9.559 -10.864 3.663 1.00 1.00 H new ATOM 0 HA PHE A 6 -10.980 -9.762 1.659 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -11.568 -9.767 4.068 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -10.296 -8.610 4.405 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -10.516 -6.237 3.725 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -13.695 -9.066 3.052 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -12.062 -4.372 3.189 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -15.255 -7.191 2.564 1.00 1.00 H new ATOM 0 HZ PHE A 6 -14.431 -4.845 2.606 1.00 1.00 H new ATOM 88 N THR A 7 -10.221 -7.600 0.724 1.00 1.00 N ATOM 89 CA THR A 7 -9.698 -6.546 -0.128 1.00 1.00 C ATOM 90 C THR A 7 -9.490 -5.226 0.629 1.00 1.00 C ATOM 91 O THR A 7 -10.415 -4.424 0.765 1.00 1.00 O ATOM 92 CB THR A 7 -10.657 -6.377 -1.320 1.00 1.00 C ATOM 93 OG1 THR A 7 -10.985 -7.647 -1.866 1.00 1.00 O ATOM 94 CG2 THR A 7 -10.047 -5.513 -2.424 1.00 1.00 C ATOM 0 H THR A 7 -11.178 -7.860 0.484 1.00 1.00 H new ATOM 0 HA THR A 7 -8.708 -6.831 -0.484 1.00 1.00 H new ATOM 0 HB THR A 7 -11.552 -5.881 -0.944 1.00 1.00 H new ATOM 0 HG1 THR A 7 -11.597 -7.530 -2.623 1.00 1.00 H new ATOM 0 HG21 THR A 7 -10.756 -5.419 -3.246 1.00 1.00 H new ATOM 0 HG22 THR A 7 -9.818 -4.524 -2.027 1.00 1.00 H new ATOM 0 HG23 THR A 7 -9.131 -5.979 -2.787 1.00 1.00 H new ATOM 102 N ASP A 8 -8.271 -5.001 1.117 1.00 1.00 N ATOM 103 CA ASP A 8 -7.884 -3.736 1.735 1.00 1.00 C ATOM 104 C ASP A 8 -7.813 -2.628 0.664 1.00 1.00 C ATOM 105 O ASP A 8 -7.740 -2.891 -0.547 1.00 1.00 O ATOM 106 CB ASP A 8 -6.527 -3.899 2.451 1.00 1.00 C ATOM 107 CG ASP A 8 -5.985 -2.546 2.924 1.00 1.00 C ATOM 108 OD1 ASP A 8 -6.704 -1.871 3.693 1.00 1.00 O ATOM 109 OD2 ASP A 8 -4.977 -2.088 2.341 1.00 1.00 O ATOM 0 H ASP A 8 -7.523 -5.694 1.094 1.00 1.00 H new ATOM 0 HA ASP A 8 -8.631 -3.449 2.475 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -6.641 -4.567 3.305 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -5.810 -4.365 1.775 1.00 1.00 H new ATOM 114 N ALA A 9 -7.788 -1.370 1.122 1.00 1.00 N ATOM 115 CA ALA A 9 -7.591 -0.163 0.335 1.00 1.00 C ATOM 116 C ALA A 9 -6.382 -0.297 -0.594 1.00 1.00 C ATOM 117 O ALA A 9 -6.342 0.393 -1.601 1.00 1.00 O ATOM 118 CB ALA A 9 -7.371 1.026 1.275 1.00 1.00 C ATOM 0 H ALA A 9 -7.913 -1.164 2.113 1.00 1.00 H new ATOM 0 HA ALA A 9 -8.480 -0.006 -0.275 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -7.223 1.932 0.687 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -8.243 1.148 1.917 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -6.490 0.845 1.891 1.00 1.00 H new ATOM 124 N CYS A 10 -5.404 -1.153 -0.308 1.00 1.00 N ATOM 125 CA CYS A 10 -4.259 -1.409 -1.163 1.00 1.00 C ATOM 126 C CYS A 10 -4.658 -1.691 -2.627 1.00 1.00 C ATOM 127 O CYS A 10 -3.928 -1.318 -3.544 1.00 1.00 O ATOM 128 CB CYS A 10 -3.460 -2.559 -0.545 1.00 1.00 C ATOM 129 SG CYS A 10 -4.156 -4.212 -0.781 1.00 1.00 S ATOM 0 H CYS A 10 -5.391 -1.701 0.552 1.00 1.00 H new ATOM 0 HA CYS A 10 -3.639 -0.514 -1.215 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.454 -2.545 -0.964 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -3.362 -2.375 0.525 1.00 1.00 H new ATOM 134 N VAL A 11 -5.808 -2.326 -2.882 1.00 1.00 N ATOM 135 CA VAL A 11 -6.247 -2.643 -4.246 1.00 1.00 C ATOM 136 C VAL A 11 -6.802 -1.388 -4.957 1.00 1.00 C ATOM 137 O VAL A 11 -6.814 -1.316 -6.188 1.00 1.00 O ATOM 138 CB VAL A 11 -7.238 -3.828 -4.175 1.00 1.00 C ATOM 139 CG1 VAL A 11 -7.747 -4.302 -5.546 1.00 1.00 C ATOM 140 CG2 VAL A 11 -6.555 -5.033 -3.496 1.00 1.00 C ATOM 0 H VAL A 11 -6.455 -2.632 -2.156 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.406 -2.957 -4.864 1.00 1.00 H new ATOM 0 HB VAL A 11 -8.094 -3.460 -3.609 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -8.437 -5.135 -5.410 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -8.262 -3.482 -6.046 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -6.903 -4.625 -6.155 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -7.255 -5.867 -3.447 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -5.679 -5.328 -4.074 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -6.248 -4.757 -2.487 1.00 1.00 H new ATOM 150 N LEU A 12 -7.226 -0.379 -4.197 1.00 1.00 N ATOM 151 CA LEU A 12 -7.671 0.933 -4.641 1.00 1.00 C ATOM 152 C LEU A 12 -6.514 1.808 -5.097 1.00 1.00 C ATOM 153 O LEU A 12 -5.526 1.928 -4.377 1.00 1.00 O ATOM 154 CB LEU A 12 -8.534 1.550 -3.537 1.00 1.00 C ATOM 155 CG LEU A 12 -8.758 3.063 -3.413 1.00 1.00 C ATOM 156 CD1 LEU A 12 -9.501 3.708 -4.591 1.00 1.00 C ATOM 157 CD2 LEU A 12 -9.573 3.249 -2.121 1.00 1.00 C ATOM 0 H LEU A 12 -7.269 -0.468 -3.182 1.00 1.00 H new ATOM 0 HA LEU A 12 -8.289 0.839 -5.534 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -9.521 1.095 -3.622 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -8.111 1.219 -2.589 1.00 1.00 H new ATOM 0 HG LEU A 12 -7.788 3.560 -3.403 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -9.610 4.777 -4.410 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -8.934 3.551 -5.509 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -10.487 3.254 -4.692 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -9.772 4.309 -1.966 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -10.517 2.711 -2.206 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -9.008 2.858 -1.275 1.00 1.00 H new ATOM 169 N PRO A 13 -6.621 2.435 -6.280 1.00 1.00 N ATOM 170 CA PRO A 13 -5.639 3.391 -6.767 1.00 1.00 C ATOM 171 C PRO A 13 -5.292 4.466 -5.732 1.00 1.00 C ATOM 172 O PRO A 13 -6.096 4.816 -4.864 1.00 1.00 O ATOM 173 CB PRO A 13 -6.254 4.010 -8.023 1.00 1.00 C ATOM 174 CG PRO A 13 -7.223 2.939 -8.530 1.00 1.00 C ATOM 175 CD PRO A 13 -7.668 2.209 -7.264 1.00 1.00 C ATOM 0 HA PRO A 13 -4.693 2.892 -6.977 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -6.773 4.941 -7.796 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.492 4.243 -8.767 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -8.070 3.383 -9.052 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -6.736 2.261 -9.231 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -8.625 2.591 -6.910 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -7.801 1.144 -7.454 1.00 1.00 H new ATOM 183 N ALA A 14 -4.089 5.014 -5.866 1.00 1.00 N ATOM 184 CA ALA A 14 -3.589 6.081 -5.017 1.00 1.00 C ATOM 185 C ALA A 14 -4.150 7.427 -5.482 1.00 1.00 C ATOM 186 O ALA A 14 -4.551 7.573 -6.638 1.00 1.00 O ATOM 187 CB ALA A 14 -2.058 6.083 -5.086 1.00 1.00 C ATOM 0 H ALA A 14 -3.424 4.721 -6.582 1.00 1.00 H new ATOM 0 HA ALA A 14 -3.907 5.920 -3.987 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -1.666 6.879 -4.453 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.677 5.123 -4.738 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.740 6.248 -6.116 1.00 1.00 H new ATOM 193 N VAL A 15 -4.102 8.432 -4.608 1.00 1.00 N ATOM 194 CA VAL A 15 -4.467 9.818 -4.885 1.00 1.00 C ATOM 195 C VAL A 15 -3.399 10.671 -4.206 1.00 1.00 C ATOM 196 O VAL A 15 -2.881 10.299 -3.152 1.00 1.00 O ATOM 197 CB VAL A 15 -5.886 10.118 -4.358 1.00 1.00 C ATOM 198 CG1 VAL A 15 -6.254 11.610 -4.355 1.00 1.00 C ATOM 199 CG2 VAL A 15 -6.954 9.371 -5.171 1.00 1.00 C ATOM 0 H VAL A 15 -3.794 8.294 -3.645 1.00 1.00 H new ATOM 0 HA VAL A 15 -4.500 10.033 -5.953 1.00 1.00 H new ATOM 0 HB VAL A 15 -5.868 9.773 -3.324 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -7.266 11.734 -3.971 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -5.555 12.156 -3.721 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -6.202 12.000 -5.372 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -7.942 9.604 -4.774 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -6.900 9.681 -6.215 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -6.779 8.297 -5.102 1.00 1.00 H new ATOM 209 N GLN A 16 -3.068 11.799 -4.830 1.00 1.00 N ATOM 210 CA GLN A 16 -1.995 12.689 -4.383 1.00 1.00 C ATOM 211 C GLN A 16 -2.525 13.849 -3.533 1.00 1.00 C ATOM 212 O GLN A 16 -1.771 14.419 -2.745 1.00 1.00 O ATOM 213 CB GLN A 16 -1.195 13.251 -5.575 1.00 1.00 C ATOM 214 CG GLN A 16 -0.881 12.234 -6.691 1.00 1.00 C ATOM 215 CD GLN A 16 0.292 12.637 -7.595 1.00 1.00 C ATOM 216 OE1 GLN A 16 0.943 11.788 -8.192 1.00 1.00 O ATOM 217 NE2 GLN A 16 0.574 13.924 -7.763 1.00 1.00 N ATOM 0 H GLN A 16 -3.543 12.126 -5.671 1.00 1.00 H new ATOM 0 HA GLN A 16 -1.334 12.082 -3.764 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.753 14.081 -6.008 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.256 13.659 -5.202 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -0.660 11.268 -6.236 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -1.771 12.100 -7.306 1.00 1.00 H new ATOM 0 HE21 GLN A 16 0.034 14.633 -7.267 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.331 14.203 -8.388 1.00 1.00 H new ATOM 226 N GLY A 17 -3.802 14.192 -3.713 1.00 1.00 N ATOM 227 CA GLY A 17 -4.465 15.332 -3.104 1.00 1.00 C ATOM 228 C GLY A 17 -4.206 16.616 -3.898 1.00 1.00 C ATOM 229 O GLY A 17 -3.382 16.626 -4.816 1.00 1.00 O ATOM 0 H GLY A 17 -4.425 13.654 -4.316 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -5.538 15.145 -3.050 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -4.111 15.457 -2.081 1.00 1.00 H new ATOM 233 N PRO A 18 -4.908 17.714 -3.574 1.00 1.00 N ATOM 234 CA PRO A 18 -4.849 18.980 -4.308 1.00 1.00 C ATOM 235 C PRO A 18 -3.563 19.794 -4.083 1.00 1.00 C ATOM 236 O PRO A 18 -3.446 20.905 -4.609 1.00 1.00 O ATOM 237 CB PRO A 18 -6.102 19.749 -3.872 1.00 1.00 C ATOM 238 CG PRO A 18 -6.354 19.245 -2.456 1.00 1.00 C ATOM 239 CD PRO A 18 -5.929 17.779 -2.532 1.00 1.00 C ATOM 0 HA PRO A 18 -4.824 18.789 -5.381 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -5.939 20.827 -3.891 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -6.948 19.543 -4.528 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -5.769 19.797 -1.721 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -7.401 19.347 -2.172 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -5.534 17.436 -1.576 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -6.777 17.138 -2.775 1.00 1.00 H new ATOM 247 N CYS A 19 -2.653 19.346 -3.214 1.00 1.00 N ATOM 248 CA CYS A 19 -1.434 20.047 -2.821 1.00 1.00 C ATOM 249 C CYS A 19 -0.494 20.321 -4.001 1.00 1.00 C ATOM 250 O CYS A 19 -0.754 19.962 -5.145 1.00 1.00 O ATOM 251 CB CYS A 19 -0.686 19.217 -1.769 1.00 1.00 C ATOM 252 SG CYS A 19 -1.545 18.991 -0.204 1.00 1.00 S ATOM 0 H CYS A 19 -2.753 18.445 -2.746 1.00 1.00 H new ATOM 0 HA CYS A 19 -1.738 21.012 -2.416 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -0.473 18.235 -2.191 1.00 1.00 H new ATOM 0 HB3 CYS A 19 0.274 19.694 -1.571 1.00 1.00 H new ATOM 257 N ARG A 20 0.606 21.017 -3.707 1.00 1.00 N ATOM 258 CA ARG A 20 1.714 21.284 -4.629 1.00 1.00 C ATOM 259 C ARG A 20 3.086 21.011 -4.008 1.00 1.00 C ATOM 260 O ARG A 20 4.117 21.290 -4.611 1.00 1.00 O ATOM 261 CB ARG A 20 1.597 22.674 -5.254 1.00 1.00 C ATOM 262 CG ARG A 20 0.622 22.709 -6.450 1.00 1.00 C ATOM 263 CD ARG A 20 -0.568 23.657 -6.298 1.00 1.00 C ATOM 264 NE ARG A 20 -1.552 23.209 -5.291 1.00 1.00 N ATOM 265 CZ ARG A 20 -2.152 23.963 -4.358 1.00 1.00 C ATOM 266 NH1 ARG A 20 -1.788 25.229 -4.152 1.00 1.00 N ATOM 267 NH2 ARG A 20 -3.124 23.440 -3.621 1.00 1.00 N ATOM 0 H ARG A 20 0.756 21.426 -2.785 1.00 1.00 H new ATOM 0 HA ARG A 20 1.630 20.567 -5.446 1.00 1.00 H new ATOM 0 HB2 ARG A 20 1.261 23.382 -4.496 1.00 1.00 H new ATOM 0 HB3 ARG A 20 2.582 23.004 -5.584 1.00 1.00 H new ATOM 0 HG2 ARG A 20 1.179 22.993 -7.343 1.00 1.00 H new ATOM 0 HG3 ARG A 20 0.243 21.701 -6.618 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -0.202 24.646 -6.022 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -1.067 23.759 -7.262 1.00 1.00 H new ATOM 0 HE ARG A 20 -1.802 22.220 -5.307 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -1.040 25.642 -4.709 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -2.258 25.785 -3.437 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -3.409 22.472 -3.766 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -3.586 24.006 -2.909 1.00 1.00 H new ATOM 281 N GLY A 21 3.079 20.511 -2.781 1.00 1.00 N ATOM 282 CA GLY A 21 4.253 20.040 -2.065 1.00 1.00 C ATOM 283 C GLY A 21 4.188 18.535 -2.323 1.00 1.00 C ATOM 284 O GLY A 21 3.078 18.006 -2.441 1.00 1.00 O ATOM 0 H GLY A 21 2.221 20.419 -2.237 1.00 1.00 H new ATOM 0 HA2 GLY A 21 5.172 20.482 -2.450 1.00 1.00 H new ATOM 0 HA3 GLY A 21 4.206 20.276 -1.002 1.00 1.00 H new ATOM 288 N TRP A 22 5.317 17.827 -2.302 1.00 1.00 N ATOM 289 CA TRP A 22 5.350 16.424 -2.683 1.00 1.00 C ATOM 290 C TRP A 22 6.035 15.586 -1.611 1.00 1.00 C ATOM 291 O TRP A 22 7.251 15.619 -1.442 1.00 1.00 O ATOM 292 CB TRP A 22 5.965 16.314 -4.084 1.00 1.00 C ATOM 293 CG TRP A 22 5.284 17.160 -5.135 1.00 1.00 C ATOM 294 CD1 TRP A 22 5.910 18.084 -5.898 1.00 1.00 C ATOM 295 CD2 TRP A 22 3.861 17.264 -5.489 1.00 1.00 C ATOM 296 NE1 TRP A 22 4.992 18.748 -6.685 1.00 1.00 N ATOM 297 CE2 TRP A 22 3.710 18.290 -6.473 1.00 1.00 C ATOM 298 CE3 TRP A 22 2.668 16.639 -5.056 1.00 1.00 C ATOM 299 CZ2 TRP A 22 2.460 18.666 -6.994 1.00 1.00 C ATOM 300 CZ3 TRP A 22 1.410 16.999 -5.572 1.00 1.00 C ATOM 301 CH2 TRP A 22 1.304 18.006 -6.544 1.00 1.00 C ATOM 0 H TRP A 22 6.221 18.208 -2.023 1.00 1.00 H new ATOM 0 HA TRP A 22 4.345 16.008 -2.747 1.00 1.00 H new ATOM 0 HB2 TRP A 22 7.015 16.600 -4.030 1.00 1.00 H new ATOM 0 HB3 TRP A 22 5.935 15.271 -4.399 1.00 1.00 H new ATOM 0 HD1 TRP A 22 6.973 18.274 -5.892 1.00 1.00 H new ATOM 0 HE1 TRP A 22 5.233 19.488 -7.344 1.00 1.00 H new ATOM 0 HE3 TRP A 22 2.725 15.863 -4.307 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 2.389 19.452 -7.731 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 0.521 16.498 -5.218 1.00 1.00 H new ATOM 0 HH2 TRP A 22 0.337 18.273 -6.945 1.00 1.00 H new ATOM 312 N GLU A 23 5.200 14.871 -0.874 1.00 1.00 N ATOM 313 CA GLU A 23 5.493 13.940 0.198 1.00 1.00 C ATOM 314 C GLU A 23 5.559 12.531 -0.433 1.00 1.00 C ATOM 315 O GLU A 23 4.540 12.054 -0.935 1.00 1.00 O ATOM 316 CB GLU A 23 4.340 14.107 1.216 1.00 1.00 C ATOM 317 CG GLU A 23 4.311 13.120 2.376 1.00 1.00 C ATOM 318 CD GLU A 23 5.495 13.226 3.335 1.00 1.00 C ATOM 319 OE1 GLU A 23 6.572 12.717 2.965 1.00 1.00 O ATOM 320 OE2 GLU A 23 5.259 13.497 4.532 1.00 1.00 O ATOM 0 H GLU A 23 4.194 14.938 -1.031 1.00 1.00 H new ATOM 0 HA GLU A 23 6.440 14.109 0.711 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.391 15.115 1.627 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.395 14.029 0.678 1.00 1.00 H new ATOM 0 HG2 GLU A 23 3.390 13.270 2.940 1.00 1.00 H new ATOM 0 HG3 GLU A 23 4.277 12.108 1.973 1.00 1.00 H new ATOM 327 N PRO A 24 6.715 11.842 -0.474 1.00 1.00 N ATOM 328 CA PRO A 24 6.826 10.487 -1.017 1.00 1.00 C ATOM 329 C PRO A 24 6.132 9.484 -0.097 1.00 1.00 C ATOM 330 O PRO A 24 6.396 9.392 1.107 1.00 1.00 O ATOM 331 CB PRO A 24 8.329 10.217 -1.134 1.00 1.00 C ATOM 332 CG PRO A 24 8.943 11.107 -0.055 1.00 1.00 C ATOM 333 CD PRO A 24 8.019 12.322 -0.038 1.00 1.00 C ATOM 0 HA PRO A 24 6.338 10.387 -1.987 1.00 1.00 H new ATOM 0 HB2 PRO A 24 8.561 9.165 -0.965 1.00 1.00 H new ATOM 0 HB3 PRO A 24 8.705 10.472 -2.125 1.00 1.00 H new ATOM 0 HG2 PRO A 24 8.968 10.607 0.913 1.00 1.00 H new ATOM 0 HG3 PRO A 24 9.969 11.385 -0.297 1.00 1.00 H new ATOM 0 HD2 PRO A 24 7.961 12.754 0.961 1.00 1.00 H new ATOM 0 HD3 PRO A 24 8.389 13.103 -0.702 1.00 1.00 H new ATOM 341 N ARG A 25 5.243 8.682 -0.674 1.00 1.00 N ATOM 342 CA ARG A 25 4.578 7.581 0.012 1.00 1.00 C ATOM 343 C ARG A 25 4.691 6.331 -0.839 1.00 1.00 C ATOM 344 O ARG A 25 5.318 6.350 -1.896 1.00 1.00 O ATOM 345 CB ARG A 25 3.130 7.978 0.360 1.00 1.00 C ATOM 346 CG ARG A 25 3.064 9.000 1.504 1.00 1.00 C ATOM 347 CD ARG A 25 3.531 8.394 2.835 1.00 1.00 C ATOM 348 NE ARG A 25 3.432 9.361 3.940 1.00 1.00 N ATOM 349 CZ ARG A 25 4.379 10.256 4.266 1.00 1.00 C ATOM 350 NH1 ARG A 25 5.561 10.266 3.654 1.00 1.00 N ATOM 351 NH2 ARG A 25 4.116 11.154 5.208 1.00 1.00 N ATOM 0 H ARG A 25 4.960 8.781 -1.649 1.00 1.00 H new ATOM 0 HA ARG A 25 5.061 7.358 0.964 1.00 1.00 H new ATOM 0 HB2 ARG A 25 2.647 8.394 -0.524 1.00 1.00 H new ATOM 0 HB3 ARG A 25 2.569 7.087 0.640 1.00 1.00 H new ATOM 0 HG2 ARG A 25 3.685 9.861 1.259 1.00 1.00 H new ATOM 0 HG3 ARG A 25 2.042 9.364 1.609 1.00 1.00 H new ATOM 0 HD2 ARG A 25 2.929 7.515 3.066 1.00 1.00 H new ATOM 0 HD3 ARG A 25 4.563 8.056 2.739 1.00 1.00 H new ATOM 0 HE ARG A 25 2.580 9.351 4.501 1.00 1.00 H new ATOM 0 HH11 ARG A 25 5.762 9.585 2.922 1.00 1.00 H new ATOM 0 HH12 ARG A 25 6.266 10.955 3.917 1.00 1.00 H new ATOM 0 HH21 ARG A 25 3.207 11.156 5.671 1.00 1.00 H new ATOM 0 HH22 ARG A 25 4.823 11.841 5.469 1.00 1.00 H new ATOM 365 N TRP A 26 4.146 5.225 -0.354 1.00 1.00 N ATOM 366 CA TRP A 26 4.148 3.933 -1.016 1.00 1.00 C ATOM 367 C TRP A 26 2.693 3.544 -1.230 1.00 1.00 C ATOM 368 O TRP A 26 1.894 3.743 -0.320 1.00 1.00 O ATOM 369 CB TRP A 26 4.897 2.935 -0.121 1.00 1.00 C ATOM 370 CG TRP A 26 6.386 3.034 -0.200 1.00 1.00 C ATOM 371 CD1 TRP A 26 7.173 3.940 0.423 1.00 1.00 C ATOM 372 CD2 TRP A 26 7.273 2.247 -1.037 1.00 1.00 C ATOM 373 NE1 TRP A 26 8.484 3.767 0.020 1.00 1.00 N ATOM 374 CE2 TRP A 26 8.596 2.758 -0.914 1.00 1.00 C ATOM 375 CE3 TRP A 26 7.072 1.164 -1.912 1.00 1.00 C ATOM 376 CZ2 TRP A 26 9.669 2.217 -1.641 1.00 1.00 C ATOM 377 CZ3 TRP A 26 8.105 0.710 -2.741 1.00 1.00 C ATOM 378 CH2 TRP A 26 9.412 1.188 -2.567 1.00 1.00 C ATOM 0 H TRP A 26 3.671 5.205 0.549 1.00 1.00 H new ATOM 0 HA TRP A 26 4.653 3.950 -1.982 1.00 1.00 H new ATOM 0 HB2 TRP A 26 4.589 3.090 0.913 1.00 1.00 H new ATOM 0 HB3 TRP A 26 4.597 1.923 -0.395 1.00 1.00 H new ATOM 0 HD1 TRP A 26 6.830 4.684 1.127 1.00 1.00 H new ATOM 0 HE1 TRP A 26 9.269 4.316 0.369 1.00 1.00 H new ATOM 0 HE3 TRP A 26 6.109 0.677 -1.945 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 10.674 2.584 -1.492 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 7.895 -0.011 -3.517 1.00 1.00 H new ATOM 0 HH2 TRP A 26 10.222 0.766 -3.144 1.00 1.00 H new ATOM 389 N ALA A 27 2.332 3.028 -2.404 1.00 1.00 N ATOM 390 CA ALA A 27 0.992 2.508 -2.657 1.00 1.00 C ATOM 391 C ALA A 27 1.119 1.165 -3.348 1.00 1.00 C ATOM 392 O ALA A 27 2.018 0.976 -4.178 1.00 1.00 O ATOM 393 CB ALA A 27 0.141 3.461 -3.504 1.00 1.00 C ATOM 0 H ALA A 27 2.960 2.959 -3.205 1.00 1.00 H new ATOM 0 HA ALA A 27 0.480 2.403 -1.700 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -0.845 3.025 -3.662 1.00 1.00 H new ATOM 0 HB2 ALA A 27 0.038 4.414 -2.986 1.00 1.00 H new ATOM 0 HB3 ALA A 27 0.625 3.622 -4.467 1.00 1.00 H new ATOM 399 N TYR A 28 0.218 0.246 -3.012 1.00 1.00 N ATOM 400 CA TYR A 28 0.145 -1.059 -3.637 1.00 1.00 C ATOM 401 C TYR A 28 -0.513 -0.954 -4.998 1.00 1.00 C ATOM 402 O TYR A 28 -1.378 -0.111 -5.235 1.00 1.00 O ATOM 403 CB TYR A 28 -0.656 -2.025 -2.769 1.00 1.00 C ATOM 404 CG TYR A 28 -0.705 -3.452 -3.298 1.00 1.00 C ATOM 405 CD1 TYR A 28 0.390 -4.309 -3.096 1.00 1.00 C ATOM 406 CD2 TYR A 28 -1.844 -3.946 -3.968 1.00 1.00 C ATOM 407 CE1 TYR A 28 0.348 -5.643 -3.529 1.00 1.00 C ATOM 408 CE2 TYR A 28 -1.896 -5.285 -4.398 1.00 1.00 C ATOM 409 CZ TYR A 28 -0.799 -6.145 -4.172 1.00 1.00 C ATOM 410 OH TYR A 28 -0.853 -7.450 -4.553 1.00 1.00 O ATOM 0 H TYR A 28 -0.487 0.394 -2.290 1.00 1.00 H new ATOM 0 HA TYR A 28 1.161 -1.436 -3.751 1.00 1.00 H new ATOM 0 HB2 TYR A 28 -0.226 -2.036 -1.767 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -1.675 -1.650 -2.675 1.00 1.00 H new ATOM 0 HD1 TYR A 28 1.275 -3.936 -2.601 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -2.683 -3.291 -4.152 1.00 1.00 H new ATOM 0 HE1 TYR A 28 1.200 -6.287 -3.368 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -2.777 -5.656 -4.902 1.00 1.00 H new ATOM 0 HH TYR A 28 -0.260 -7.982 -3.982 1.00 1.00 H new ATOM 420 N SER A 29 0.025 -1.683 -5.964 1.00 1.00 N ATOM 421 CA SER A 29 -0.536 -1.831 -7.284 1.00 1.00 C ATOM 422 C SER A 29 -0.884 -3.304 -7.473 1.00 1.00 C ATOM 423 O SER A 29 0.057 -4.093 -7.584 1.00 1.00 O ATOM 424 CB SER A 29 0.466 -1.232 -8.256 1.00 1.00 C ATOM 425 OG SER A 29 0.284 0.162 -8.101 1.00 1.00 O ATOM 0 H SER A 29 0.894 -2.203 -5.839 1.00 1.00 H new ATOM 0 HA SER A 29 -1.470 -1.297 -7.457 1.00 1.00 H new ATOM 0 HB2 SER A 29 1.486 -1.533 -8.017 1.00 1.00 H new ATOM 0 HB3 SER A 29 0.272 -1.551 -9.280 1.00 1.00 H new ATOM 0 HG SER A 29 -0.134 0.529 -8.908 1.00 1.00 H new ATOM 431 N PRO A 30 -2.171 -3.683 -7.591 1.00 1.00 N ATOM 432 CA PRO A 30 -2.549 -5.059 -7.893 1.00 1.00 C ATOM 433 C PRO A 30 -2.112 -5.439 -9.310 1.00 1.00 C ATOM 434 O PRO A 30 -1.684 -6.562 -9.543 1.00 1.00 O ATOM 435 CB PRO A 30 -4.071 -5.122 -7.717 1.00 1.00 C ATOM 436 CG PRO A 30 -4.527 -3.682 -7.950 1.00 1.00 C ATOM 437 CD PRO A 30 -3.361 -2.853 -7.420 1.00 1.00 C ATOM 0 HA PRO A 30 -2.059 -5.774 -7.233 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -4.528 -5.807 -8.432 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -4.344 -5.472 -6.721 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -4.713 -3.485 -9.006 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -5.452 -3.462 -7.417 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -3.266 -1.916 -7.969 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -3.510 -2.595 -6.372 1.00 1.00 H new ATOM 445 N LEU A 31 -2.128 -4.477 -10.242 1.00 1.00 N ATOM 446 CA LEU A 31 -1.647 -4.642 -11.613 1.00 1.00 C ATOM 447 C LEU A 31 -0.138 -4.902 -11.686 1.00 1.00 C ATOM 448 O LEU A 31 0.352 -5.342 -12.719 1.00 1.00 O ATOM 449 CB LEU A 31 -2.024 -3.413 -12.445 1.00 1.00 C ATOM 450 CG LEU A 31 -3.498 -3.469 -12.887 1.00 1.00 C ATOM 451 CD1 LEU A 31 -3.918 -2.082 -13.357 1.00 1.00 C ATOM 452 CD2 LEU A 31 -3.744 -4.474 -14.022 1.00 1.00 C ATOM 0 H LEU A 31 -2.486 -3.540 -10.055 1.00 1.00 H new ATOM 0 HA LEU A 31 -2.133 -5.527 -12.024 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -1.851 -2.509 -11.861 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -1.381 -3.354 -13.323 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.086 -3.798 -12.030 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.961 -2.105 -13.674 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.803 -1.370 -12.539 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.291 -1.776 -14.195 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -4.800 -4.469 -14.290 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -3.148 -4.195 -14.891 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -3.459 -5.473 -13.692 1.00 1.00 H new ATOM 464 N LEU A 32 0.601 -4.614 -10.612 1.00 1.00 N ATOM 465 CA LEU A 32 2.024 -4.912 -10.459 1.00 1.00 C ATOM 466 C LEU A 32 2.236 -5.993 -9.393 1.00 1.00 C ATOM 467 O LEU A 32 3.362 -6.418 -9.156 1.00 1.00 O ATOM 468 CB LEU A 32 2.723 -3.620 -10.032 1.00 1.00 C ATOM 469 CG LEU A 32 3.002 -2.662 -11.207 1.00 1.00 C ATOM 470 CD1 LEU A 32 3.367 -1.270 -10.674 1.00 1.00 C ATOM 471 CD2 LEU A 32 4.148 -3.165 -12.095 1.00 1.00 C ATOM 0 H LEU A 32 0.208 -4.149 -9.794 1.00 1.00 H new ATOM 0 HA LEU A 32 2.433 -5.283 -11.399 1.00 1.00 H new ATOM 0 HB2 LEU A 32 2.106 -3.108 -9.293 1.00 1.00 H new ATOM 0 HB3 LEU A 32 3.665 -3.869 -9.543 1.00 1.00 H new ATOM 0 HG LEU A 32 2.093 -2.614 -11.807 1.00 1.00 H new ATOM 0 HD11 LEU A 32 3.563 -0.600 -11.511 1.00 1.00 H new ATOM 0 HD12 LEU A 32 2.540 -0.879 -10.081 1.00 1.00 H new ATOM 0 HD13 LEU A 32 4.258 -1.341 -10.050 1.00 1.00 H new ATOM 0 HD21 LEU A 32 4.312 -2.461 -12.911 1.00 1.00 H new ATOM 0 HD22 LEU A 32 5.058 -3.251 -11.501 1.00 1.00 H new ATOM 0 HD23 LEU A 32 3.889 -4.141 -12.505 1.00 1.00 H new ATOM 483 N GLN A 33 1.147 -6.401 -8.741 1.00 1.00 N ATOM 484 CA GLN A 33 0.963 -7.282 -7.629 1.00 1.00 C ATOM 485 C GLN A 33 1.874 -6.860 -6.453 1.00 1.00 C ATOM 486 O GLN A 33 2.147 -7.651 -5.560 1.00 1.00 O ATOM 487 CB GLN A 33 1.093 -8.712 -8.176 1.00 1.00 C ATOM 488 CG GLN A 33 0.394 -9.682 -7.236 1.00 1.00 C ATOM 489 CD GLN A 33 0.850 -11.128 -7.429 1.00 1.00 C ATOM 490 OE1 GLN A 33 1.486 -11.738 -6.580 1.00 1.00 O ATOM 491 NE2 GLN A 33 0.538 -11.723 -8.571 1.00 1.00 N ATOM 0 H GLN A 33 0.239 -6.052 -9.048 1.00 1.00 H new ATOM 0 HA GLN A 33 -0.024 -7.230 -7.170 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.653 -8.773 -9.171 1.00 1.00 H new ATOM 0 HB3 GLN A 33 2.145 -8.980 -8.276 1.00 1.00 H new ATOM 0 HG2 GLN A 33 0.582 -9.381 -6.205 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -0.683 -9.621 -7.394 1.00 1.00 H new ATOM 0 HE21 GLN A 33 0.008 -11.218 -9.281 1.00 1.00 H new ATOM 0 HE22 GLN A 33 0.828 -12.686 -8.740 1.00 1.00 H new ATOM 500 N GLN A 34 2.353 -5.609 -6.421 1.00 1.00 N ATOM 501 CA GLN A 34 3.287 -5.133 -5.403 1.00 1.00 C ATOM 502 C GLN A 34 3.194 -3.614 -5.316 1.00 1.00 C ATOM 503 O GLN A 34 2.616 -2.939 -6.173 1.00 1.00 O ATOM 504 CB GLN A 34 4.745 -5.579 -5.695 1.00 1.00 C ATOM 505 CG GLN A 34 5.627 -5.553 -4.424 1.00 1.00 C ATOM 506 CD GLN A 34 7.014 -6.172 -4.591 1.00 1.00 C ATOM 507 OE1 GLN A 34 7.990 -5.493 -4.898 1.00 1.00 O ATOM 508 NE2 GLN A 34 7.198 -7.426 -4.220 1.00 1.00 N ATOM 0 H GLN A 34 2.099 -4.898 -7.107 1.00 1.00 H new ATOM 0 HA GLN A 34 3.011 -5.576 -4.446 1.00 1.00 H new ATOM 0 HB2 GLN A 34 4.739 -6.586 -6.111 1.00 1.00 H new ATOM 0 HB3 GLN A 34 5.179 -4.925 -6.451 1.00 1.00 H new ATOM 0 HG2 GLN A 34 5.743 -4.518 -4.101 1.00 1.00 H new ATOM 0 HG3 GLN A 34 5.104 -6.079 -3.626 1.00 1.00 H new ATOM 0 HE21 GLN A 34 6.398 -8.004 -3.962 1.00 1.00 H new ATOM 0 HE22 GLN A 34 8.140 -7.817 -4.192 1.00 1.00 H new ATOM 517 N CYS A 35 3.797 -3.065 -4.271 1.00 1.00 N ATOM 518 CA CYS A 35 3.868 -1.646 -4.033 1.00 1.00 C ATOM 519 C CYS A 35 4.999 -0.954 -4.755 1.00 1.00 C ATOM 520 O CYS A 35 6.077 -1.512 -4.960 1.00 1.00 O ATOM 521 CB CYS A 35 4.075 -1.402 -2.548 1.00 1.00 C ATOM 522 SG CYS A 35 2.755 -2.020 -1.510 1.00 1.00 S ATOM 0 H CYS A 35 4.261 -3.618 -3.550 1.00 1.00 H new ATOM 0 HA CYS A 35 2.930 -1.236 -4.408 1.00 1.00 H new ATOM 0 HB2 CYS A 35 5.011 -1.869 -2.242 1.00 1.00 H new ATOM 0 HB3 CYS A 35 4.183 -0.331 -2.379 1.00 1.00 H new ATOM 527 N HIS A 36 4.766 0.328 -5.019 1.00 1.00 N ATOM 528 CA HIS A 36 5.753 1.241 -5.586 1.00 1.00 C ATOM 529 C HIS A 36 5.664 2.599 -4.875 1.00 1.00 C ATOM 530 O HIS A 36 4.599 2.917 -4.335 1.00 1.00 O ATOM 531 CB HIS A 36 5.536 1.370 -7.105 1.00 1.00 C ATOM 532 CG HIS A 36 4.199 1.957 -7.499 1.00 1.00 C ATOM 533 ND1 HIS A 36 3.842 3.294 -7.414 1.00 1.00 N ATOM 534 CD2 HIS A 36 3.112 1.260 -7.952 1.00 1.00 C ATOM 535 CE1 HIS A 36 2.553 3.406 -7.781 1.00 1.00 C ATOM 536 NE2 HIS A 36 2.105 2.186 -8.133 1.00 1.00 N ATOM 0 H HIS A 36 3.865 0.771 -4.841 1.00 1.00 H new ATOM 0 HA HIS A 36 6.758 0.848 -5.431 1.00 1.00 H new ATOM 0 HB2 HIS A 36 6.329 1.992 -7.521 1.00 1.00 H new ATOM 0 HB3 HIS A 36 5.634 0.384 -7.558 1.00 1.00 H new ATOM 0 HD1 HIS A 36 4.451 4.059 -7.124 1.00 1.00 H new ATOM 0 HD2 HIS A 36 3.054 0.197 -8.132 1.00 1.00 H new ATOM 0 HE1 HIS A 36 1.976 4.319 -7.792 1.00 1.00 H new ATOM 545 N PRO A 37 6.737 3.411 -4.867 1.00 1.00 N ATOM 546 CA PRO A 37 6.679 4.771 -4.334 1.00 1.00 C ATOM 547 C PRO A 37 5.690 5.607 -5.158 1.00 1.00 C ATOM 548 O PRO A 37 5.410 5.250 -6.309 1.00 1.00 O ATOM 549 CB PRO A 37 8.093 5.350 -4.480 1.00 1.00 C ATOM 550 CG PRO A 37 8.991 4.133 -4.684 1.00 1.00 C ATOM 551 CD PRO A 37 8.079 3.089 -5.322 1.00 1.00 C ATOM 0 HA PRO A 37 6.349 4.780 -3.295 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.155 6.034 -5.326 1.00 1.00 H new ATOM 0 HB3 PRO A 37 8.384 5.913 -3.593 1.00 1.00 H new ATOM 0 HG2 PRO A 37 9.838 4.368 -5.329 1.00 1.00 H new ATOM 0 HG3 PRO A 37 9.400 3.778 -3.738 1.00 1.00 H new ATOM 0 HD2 PRO A 37 8.143 3.125 -6.410 1.00 1.00 H new ATOM 0 HD3 PRO A 37 8.364 2.082 -5.019 1.00 1.00 H new ATOM 559 N PHE A 38 5.184 6.723 -4.636 1.00 1.00 N ATOM 560 CA PHE A 38 4.343 7.636 -5.397 1.00 1.00 C ATOM 561 C PHE A 38 4.418 9.015 -4.755 1.00 1.00 C ATOM 562 O PHE A 38 4.881 9.156 -3.620 1.00 1.00 O ATOM 563 CB PHE A 38 2.895 7.118 -5.521 1.00 1.00 C ATOM 564 CG PHE A 38 1.989 7.308 -4.318 1.00 1.00 C ATOM 565 CD1 PHE A 38 2.098 6.472 -3.191 1.00 1.00 C ATOM 566 CD2 PHE A 38 0.986 8.294 -4.351 1.00 1.00 C ATOM 567 CE1 PHE A 38 1.201 6.615 -2.117 1.00 1.00 C ATOM 568 CE2 PHE A 38 0.105 8.447 -3.270 1.00 1.00 C ATOM 569 CZ PHE A 38 0.202 7.601 -2.154 1.00 1.00 C ATOM 0 H PHE A 38 5.347 7.017 -3.673 1.00 1.00 H new ATOM 0 HA PHE A 38 4.712 7.704 -6.420 1.00 1.00 H new ATOM 0 HB2 PHE A 38 2.431 7.611 -6.375 1.00 1.00 H new ATOM 0 HB3 PHE A 38 2.935 6.053 -5.750 1.00 1.00 H new ATOM 0 HD1 PHE A 38 2.872 5.719 -3.151 1.00 1.00 H new ATOM 0 HD2 PHE A 38 0.894 8.937 -5.214 1.00 1.00 H new ATOM 0 HE1 PHE A 38 1.281 5.963 -1.260 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -0.650 9.218 -3.297 1.00 1.00 H new ATOM 0 HZ PHE A 38 -0.487 7.708 -1.329 1.00 1.00 H new ATOM 579 N VAL A 39 3.986 10.022 -5.505 1.00 1.00 N ATOM 580 CA VAL A 39 3.927 11.398 -5.061 1.00 1.00 C ATOM 581 C VAL A 39 2.578 11.582 -4.371 1.00 1.00 C ATOM 582 O VAL A 39 1.532 11.333 -4.963 1.00 1.00 O ATOM 583 CB VAL A 39 4.122 12.324 -6.278 1.00 1.00 C ATOM 584 CG1 VAL A 39 3.805 13.780 -5.933 1.00 1.00 C ATOM 585 CG2 VAL A 39 5.572 12.232 -6.786 1.00 1.00 C ATOM 0 H VAL A 39 3.660 9.894 -6.463 1.00 1.00 H new ATOM 0 HA VAL A 39 4.715 11.651 -4.352 1.00 1.00 H new ATOM 0 HB VAL A 39 3.432 11.993 -7.055 1.00 1.00 H new ATOM 0 HG11 VAL A 39 3.954 14.403 -6.815 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.769 13.859 -5.603 1.00 1.00 H new ATOM 0 HG13 VAL A 39 4.466 14.117 -5.135 1.00 1.00 H new ATOM 0 HG21 VAL A 39 5.699 12.890 -7.646 1.00 1.00 H new ATOM 0 HG22 VAL A 39 6.255 12.536 -5.993 1.00 1.00 H new ATOM 0 HG23 VAL A 39 5.790 11.205 -7.080 1.00 1.00 H new ATOM 595 N TYR A 40 2.608 12.005 -3.118 1.00 1.00 N ATOM 596 CA TYR A 40 1.455 12.363 -2.313 1.00 1.00 C ATOM 597 C TYR A 40 1.688 13.803 -1.826 1.00 1.00 C ATOM 598 O TYR A 40 2.756 14.358 -2.087 1.00 1.00 O ATOM 599 CB TYR A 40 1.312 11.278 -1.239 1.00 1.00 C ATOM 600 CG TYR A 40 0.409 11.601 -0.082 1.00 1.00 C ATOM 601 CD1 TYR A 40 -0.985 11.668 -0.254 1.00 1.00 C ATOM 602 CD2 TYR A 40 0.986 11.863 1.170 1.00 1.00 C ATOM 603 CE1 TYR A 40 -1.802 11.999 0.838 1.00 1.00 C ATOM 604 CE2 TYR A 40 0.175 12.166 2.268 1.00 1.00 C ATOM 605 CZ TYR A 40 -1.228 12.242 2.106 1.00 1.00 C ATOM 606 OH TYR A 40 -2.007 12.585 3.158 1.00 1.00 O ATOM 0 H TYR A 40 3.485 12.113 -2.609 1.00 1.00 H new ATOM 0 HA TYR A 40 0.497 12.383 -2.832 1.00 1.00 H new ATOM 0 HB2 TYR A 40 0.944 10.370 -1.717 1.00 1.00 H new ATOM 0 HB3 TYR A 40 2.304 11.052 -0.846 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -1.424 11.466 -1.220 1.00 1.00 H new ATOM 0 HD2 TYR A 40 2.059 11.831 1.286 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -2.872 12.068 0.709 1.00 1.00 H new ATOM 0 HE2 TYR A 40 0.619 12.341 3.237 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.728 13.175 2.853 1.00 1.00 H new ATOM 616 N GLY A 41 0.718 14.445 -1.169 1.00 1.00 N ATOM 617 CA GLY A 41 0.828 15.857 -0.801 1.00 1.00 C ATOM 618 C GLY A 41 0.630 16.191 0.673 1.00 1.00 C ATOM 619 O GLY A 41 0.829 17.341 1.049 1.00 1.00 O ATOM 0 H GLY A 41 -0.156 14.005 -0.880 1.00 1.00 H new ATOM 0 HA2 GLY A 41 1.813 16.213 -1.102 1.00 1.00 H new ATOM 0 HA3 GLY A 41 0.095 16.419 -1.380 1.00 1.00 H new ATOM 623 N GLY A 42 0.222 15.238 1.513 1.00 1.00 N ATOM 624 CA GLY A 42 -0.119 15.485 2.918 1.00 1.00 C ATOM 625 C GLY A 42 -1.608 15.785 3.091 1.00 1.00 C ATOM 626 O GLY A 42 -2.173 15.503 4.143 1.00 1.00 O ATOM 0 H GLY A 42 0.117 14.262 1.235 1.00 1.00 H new ATOM 0 HA2 GLY A 42 0.149 14.615 3.517 1.00 1.00 H new ATOM 0 HA3 GLY A 42 0.468 16.323 3.294 1.00 1.00 H new ATOM 630 N CYS A 43 -2.237 16.353 2.063 1.00 1.00 N ATOM 631 CA CYS A 43 -3.670 16.594 1.964 1.00 1.00 C ATOM 632 C CYS A 43 -4.391 15.266 1.675 1.00 1.00 C ATOM 633 O CYS A 43 -3.796 14.186 1.741 1.00 1.00 O ATOM 634 CB CYS A 43 -3.939 17.659 0.890 1.00 1.00 C ATOM 635 SG CYS A 43 -2.907 17.548 -0.587 1.00 1.00 S ATOM 0 H CYS A 43 -1.732 16.673 1.236 1.00 1.00 H new ATOM 0 HA CYS A 43 -4.061 16.980 2.906 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -4.984 17.590 0.588 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -3.800 18.644 1.336 1.00 1.00 H new ATOM 640 N GLU A 44 -5.694 15.360 1.421 1.00 1.00 N ATOM 641 CA GLU A 44 -6.625 14.310 1.029 1.00 1.00 C ATOM 642 C GLU A 44 -5.977 13.246 0.133 1.00 1.00 C ATOM 643 O GLU A 44 -5.306 13.552 -0.853 1.00 1.00 O ATOM 644 CB GLU A 44 -7.826 14.923 0.290 1.00 1.00 C ATOM 645 CG GLU A 44 -8.551 16.012 1.092 1.00 1.00 C ATOM 646 CD GLU A 44 -7.917 17.389 0.860 1.00 1.00 C ATOM 647 OE1 GLU A 44 -8.186 17.987 -0.201 1.00 1.00 O ATOM 648 OE2 GLU A 44 -7.070 17.782 1.695 1.00 1.00 O ATOM 0 H GLU A 44 -6.168 16.261 1.492 1.00 1.00 H new ATOM 0 HA GLU A 44 -6.948 13.819 1.947 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -7.483 15.346 -0.654 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -8.534 14.131 0.046 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -9.602 16.040 0.804 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -8.518 15.768 2.154 1.00 1.00 H new ATOM 655 N GLY A 45 -6.230 11.977 0.437 1.00 1.00 N ATOM 656 CA GLY A 45 -5.814 10.831 -0.348 1.00 1.00 C ATOM 657 C GLY A 45 -6.631 9.627 0.108 1.00 1.00 C ATOM 658 O GLY A 45 -7.441 9.751 1.030 1.00 1.00 O ATOM 0 H GLY A 45 -6.752 11.713 1.273 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -5.972 11.019 -1.410 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -4.749 10.642 -0.213 1.00 1.00 H new ATOM 662 N ASN A 46 -6.419 8.464 -0.513 1.00 1.00 N ATOM 663 CA ASN A 46 -7.171 7.265 -0.139 1.00 1.00 C ATOM 664 C ASN A 46 -6.365 6.482 0.893 1.00 1.00 C ATOM 665 O ASN A 46 -5.227 6.822 1.215 1.00 1.00 O ATOM 666 CB ASN A 46 -7.489 6.342 -1.332 1.00 1.00 C ATOM 667 CG ASN A 46 -8.148 7.025 -2.524 1.00 1.00 C ATOM 668 OD1 ASN A 46 -8.747 8.082 -2.407 1.00 1.00 O ATOM 669 ND2 ASN A 46 -8.070 6.437 -3.704 1.00 1.00 N ATOM 0 H ASN A 46 -5.744 8.328 -1.265 1.00 1.00 H new ATOM 0 HA ASN A 46 -8.127 7.600 0.265 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -6.562 5.876 -1.667 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -8.142 5.540 -0.987 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -8.510 6.866 -4.518 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -7.569 5.554 -3.802 1.00 1.00 H new ATOM 676 N GLY A 47 -6.945 5.372 1.350 1.00 1.00 N ATOM 677 CA GLY A 47 -6.355 4.512 2.371 1.00 1.00 C ATOM 678 C GLY A 47 -5.106 3.786 1.876 1.00 1.00 C ATOM 679 O GLY A 47 -4.309 3.329 2.689 1.00 1.00 O ATOM 0 H GLY A 47 -7.850 5.042 1.015 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -6.100 5.113 3.244 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -7.093 3.778 2.694 1.00 1.00 H new ATOM 683 N ASN A 48 -4.914 3.695 0.554 1.00 1.00 N ATOM 684 CA ASN A 48 -3.714 3.144 -0.058 1.00 1.00 C ATOM 685 C ASN A 48 -2.579 4.159 0.082 1.00 1.00 C ATOM 686 O ASN A 48 -2.192 4.820 -0.886 1.00 1.00 O ATOM 687 CB ASN A 48 -3.984 2.765 -1.523 1.00 1.00 C ATOM 688 CG ASN A 48 -2.833 1.966 -2.140 1.00 1.00 C ATOM 689 OD1 ASN A 48 -1.807 1.697 -1.527 1.00 1.00 O ATOM 690 ND2 ASN A 48 -2.994 1.507 -3.364 1.00 1.00 N ATOM 0 H ASN A 48 -5.605 4.010 -0.127 1.00 1.00 H new ATOM 0 HA ASN A 48 -3.417 2.227 0.450 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -4.901 2.179 -1.581 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -4.147 3.671 -2.106 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -2.268 0.933 -3.793 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -3.845 1.725 -3.883 1.00 1.00 H new ATOM 697 N ASN A 49 -2.087 4.335 1.309 1.00 1.00 N ATOM 698 CA ASN A 49 -0.964 5.198 1.615 1.00 1.00 C ATOM 699 C ASN A 49 -0.136 4.483 2.678 1.00 1.00 C ATOM 700 O ASN A 49 -0.503 4.415 3.854 1.00 1.00 O ATOM 701 CB ASN A 49 -1.528 6.534 2.138 1.00 1.00 C ATOM 702 CG ASN A 49 -0.473 7.610 2.368 1.00 1.00 C ATOM 703 OD1 ASN A 49 0.467 7.455 3.147 1.00 1.00 O ATOM 704 ND2 ASN A 49 -0.630 8.750 1.712 1.00 1.00 N ATOM 0 H ASN A 49 -2.472 3.868 2.130 1.00 1.00 H new ATOM 0 HA ASN A 49 -0.336 5.406 0.749 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -2.264 6.908 1.426 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -2.055 6.351 3.075 1.00 1.00 H new ATOM 0 HD21 ASN A 49 0.033 9.513 1.850 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -1.414 8.865 1.069 1.00 1.00 H new ATOM 711 N PHE A 50 1.064 4.079 2.286 1.00 1.00 N ATOM 712 CA PHE A 50 2.012 3.351 3.099 1.00 1.00 C ATOM 713 C PHE A 50 3.221 4.233 3.265 1.00 1.00 C ATOM 714 O PHE A 50 3.462 5.185 2.516 1.00 1.00 O ATOM 715 CB PHE A 50 2.291 1.959 2.529 1.00 1.00 C ATOM 716 CG PHE A 50 0.994 1.159 2.512 1.00 1.00 C ATOM 717 CD1 PHE A 50 0.490 0.644 3.724 1.00 1.00 C ATOM 718 CD2 PHE A 50 0.195 1.089 1.353 1.00 1.00 C ATOM 719 CE1 PHE A 50 -0.806 0.101 3.781 1.00 1.00 C ATOM 720 CE2 PHE A 50 -1.078 0.490 1.404 1.00 1.00 C ATOM 721 CZ PHE A 50 -1.591 0.015 2.620 1.00 1.00 C ATOM 0 H PHE A 50 1.414 4.262 1.346 1.00 1.00 H new ATOM 0 HA PHE A 50 1.616 3.135 4.091 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.696 2.040 1.520 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.040 1.448 3.134 1.00 1.00 H new ATOM 0 HD1 PHE A 50 1.102 0.667 4.613 1.00 1.00 H new ATOM 0 HD2 PHE A 50 0.561 1.496 0.422 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -1.200 -0.252 4.723 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.663 0.396 0.501 1.00 1.00 H new ATOM 0 HZ PHE A 50 -2.582 -0.413 2.663 1.00 1.00 H new ATOM 731 N HIS A 51 4.021 3.879 4.253 1.00 1.00 N ATOM 732 CA HIS A 51 5.146 4.700 4.654 1.00 1.00 C ATOM 733 C HIS A 51 6.495 4.153 4.250 1.00 1.00 C ATOM 734 O HIS A 51 7.495 4.857 4.319 1.00 1.00 O ATOM 735 CB HIS A 51 4.987 4.888 6.159 1.00 1.00 C ATOM 736 CG HIS A 51 3.567 5.352 6.477 1.00 1.00 C ATOM 737 ND1 HIS A 51 2.913 6.417 5.866 1.00 1.00 N ATOM 738 CD2 HIS A 51 2.601 4.508 6.960 1.00 1.00 C ATOM 739 CE1 HIS A 51 1.584 6.196 5.954 1.00 1.00 C ATOM 740 NE2 HIS A 51 1.370 5.052 6.634 1.00 1.00 N ATOM 0 H HIS A 51 3.911 3.022 4.795 1.00 1.00 H new ATOM 0 HA HIS A 51 5.131 5.655 4.129 1.00 1.00 H new ATOM 0 HB2 HIS A 51 5.197 3.952 6.676 1.00 1.00 H new ATOM 0 HB3 HIS A 51 5.708 5.621 6.521 1.00 1.00 H new ATOM 0 HD2 HIS A 51 2.769 3.586 7.497 1.00 1.00 H new ATOM 0 HE1 HIS A 51 0.815 6.834 5.545 1.00 1.00 H new ATOM 0 HE2 HIS A 51 0.460 4.656 6.868 1.00 1.00 H new ATOM 749 N SER A 52 6.499 2.927 3.765 1.00 1.00 N ATOM 750 CA SER A 52 7.718 2.205 3.447 1.00 1.00 C ATOM 751 C SER A 52 7.404 1.036 2.530 1.00 1.00 C ATOM 752 O SER A 52 6.267 0.582 2.439 1.00 1.00 O ATOM 753 CB SER A 52 8.402 1.752 4.753 1.00 1.00 C ATOM 754 OG SER A 52 7.432 1.337 5.695 1.00 1.00 O ATOM 0 H SER A 52 5.648 2.397 3.578 1.00 1.00 H new ATOM 0 HA SER A 52 8.412 2.857 2.915 1.00 1.00 H new ATOM 0 HB2 SER A 52 9.091 0.934 4.546 1.00 1.00 H new ATOM 0 HB3 SER A 52 8.993 2.570 5.165 1.00 1.00 H new ATOM 0 HG SER A 52 7.856 0.773 6.375 1.00 1.00 H new ATOM 760 N ARG A 53 8.439 0.527 1.866 1.00 1.00 N ATOM 761 CA ARG A 53 8.353 -0.670 1.031 1.00 1.00 C ATOM 762 C ARG A 53 7.930 -1.880 1.871 1.00 1.00 C ATOM 763 O ARG A 53 7.157 -2.726 1.414 1.00 1.00 O ATOM 764 CB ARG A 53 9.714 -0.862 0.355 1.00 1.00 C ATOM 765 CG ARG A 53 9.829 -2.104 -0.526 1.00 1.00 C ATOM 766 CD ARG A 53 8.653 -2.358 -1.485 1.00 1.00 C ATOM 767 NE ARG A 53 8.758 -3.681 -2.116 1.00 1.00 N ATOM 768 CZ ARG A 53 8.669 -4.861 -1.488 1.00 1.00 C ATOM 769 NH1 ARG A 53 8.356 -4.962 -0.197 1.00 1.00 N ATOM 770 NH2 ARG A 53 8.879 -5.972 -2.170 1.00 1.00 N ATOM 0 H ARG A 53 9.372 0.938 1.892 1.00 1.00 H new ATOM 0 HA ARG A 53 7.590 -0.561 0.260 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.928 0.017 -0.253 1.00 1.00 H new ATOM 0 HB3 ARG A 53 10.482 -0.910 1.127 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.743 -2.025 -1.115 1.00 1.00 H new ATOM 0 HG3 ARG A 53 9.941 -2.975 0.120 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.713 -2.286 -0.938 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.634 -1.586 -2.254 1.00 1.00 H new ATOM 0 HE ARG A 53 8.913 -3.703 -3.124 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.174 -4.121 0.351 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.299 -5.880 0.244 1.00 1.00 H new ATOM 0 HH21 ARG A 53 9.106 -5.925 -3.163 1.00 1.00 H new ATOM 0 HH22 ARG A 53 8.814 -6.877 -1.703 1.00 1.00 H new ATOM 784 N GLU A 54 8.492 -1.940 3.072 1.00 1.00 N ATOM 785 CA GLU A 54 8.217 -2.882 4.138 1.00 1.00 C ATOM 786 C GLU A 54 6.752 -2.832 4.532 1.00 1.00 C ATOM 787 O GLU A 54 6.032 -3.766 4.195 1.00 1.00 O ATOM 788 CB GLU A 54 9.189 -2.478 5.262 1.00 1.00 C ATOM 789 CG GLU A 54 8.880 -2.890 6.712 1.00 1.00 C ATOM 790 CD GLU A 54 8.691 -1.627 7.570 1.00 1.00 C ATOM 791 OE1 GLU A 54 8.021 -0.687 7.067 1.00 1.00 O ATOM 792 OE2 GLU A 54 9.276 -1.556 8.664 1.00 1.00 O ATOM 0 H GLU A 54 9.213 -1.271 3.343 1.00 1.00 H new ATOM 0 HA GLU A 54 8.376 -3.924 3.858 1.00 1.00 H new ATOM 0 HB2 GLU A 54 10.169 -2.883 5.009 1.00 1.00 H new ATOM 0 HB3 GLU A 54 9.278 -1.392 5.243 1.00 1.00 H new ATOM 0 HG2 GLU A 54 7.980 -3.503 6.744 1.00 1.00 H new ATOM 0 HG3 GLU A 54 9.693 -3.496 7.111 1.00 1.00 H new ATOM 799 N SER A 55 6.297 -1.719 5.108 1.00 1.00 N ATOM 800 CA SER A 55 4.915 -1.613 5.589 1.00 1.00 C ATOM 801 C SER A 55 3.907 -1.894 4.477 1.00 1.00 C ATOM 802 O SER A 55 2.841 -2.439 4.734 1.00 1.00 O ATOM 803 CB SER A 55 4.623 -0.269 6.281 1.00 1.00 C ATOM 804 OG SER A 55 4.855 0.874 5.465 1.00 1.00 O ATOM 0 H SER A 55 6.860 -0.881 5.253 1.00 1.00 H new ATOM 0 HA SER A 55 4.800 -2.386 6.349 1.00 1.00 H new ATOM 0 HB2 SER A 55 3.584 -0.261 6.609 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.241 -0.193 7.176 1.00 1.00 H new ATOM 0 HG SER A 55 5.802 1.123 5.512 1.00 1.00 H new ATOM 810 N CYS A 56 4.236 -1.514 3.242 1.00 1.00 N ATOM 811 CA CYS A 56 3.337 -1.674 2.123 1.00 1.00 C ATOM 812 C CYS A 56 3.199 -3.138 1.756 1.00 1.00 C ATOM 813 O CYS A 56 2.070 -3.589 1.609 1.00 1.00 O ATOM 814 CB CYS A 56 3.867 -0.868 0.953 1.00 1.00 C ATOM 815 SG CYS A 56 2.606 -0.463 -0.261 1.00 1.00 S ATOM 0 H CYS A 56 5.132 -1.090 3.001 1.00 1.00 H new ATOM 0 HA CYS A 56 2.345 -1.310 2.392 1.00 1.00 H new ATOM 0 HB2 CYS A 56 4.310 0.055 1.328 1.00 1.00 H new ATOM 0 HB3 CYS A 56 4.664 -1.430 0.465 1.00 1.00 H new ATOM 820 N GLU A 57 4.307 -3.866 1.548 1.00 1.00 N ATOM 821 CA GLU A 57 4.103 -5.315 1.348 1.00 1.00 C ATOM 822 C GLU A 57 3.519 -6.003 2.572 1.00 1.00 C ATOM 823 O GLU A 57 2.760 -6.957 2.399 1.00 1.00 O ATOM 824 CB GLU A 57 5.265 -6.149 0.804 1.00 1.00 C ATOM 825 CG GLU A 57 5.439 -6.110 -0.719 1.00 1.00 C ATOM 826 CD GLU A 57 6.184 -7.386 -1.150 1.00 1.00 C ATOM 827 OE1 GLU A 57 7.307 -7.629 -0.649 1.00 1.00 O ATOM 828 OE2 GLU A 57 5.662 -8.194 -1.949 1.00 1.00 O ATOM 0 H GLU A 57 5.267 -3.523 1.514 1.00 1.00 H new ATOM 0 HA GLU A 57 3.384 -5.292 0.529 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.188 -5.803 1.268 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.123 -7.185 1.111 1.00 1.00 H new ATOM 0 HG2 GLU A 57 4.468 -6.052 -1.211 1.00 1.00 H new ATOM 0 HG3 GLU A 57 6.000 -5.224 -1.015 1.00 1.00 H new ATOM 835 N ASP A 58 3.858 -5.563 3.787 1.00 1.00 N ATOM 836 CA ASP A 58 3.229 -6.163 4.956 1.00 1.00 C ATOM 837 C ASP A 58 1.728 -5.822 4.948 1.00 1.00 C ATOM 838 O ASP A 58 0.958 -6.498 5.614 1.00 1.00 O ATOM 839 CB ASP A 58 3.956 -5.920 6.282 1.00 1.00 C ATOM 840 CG ASP A 58 3.519 -7.018 7.265 1.00 1.00 C ATOM 841 OD1 ASP A 58 3.885 -8.203 7.041 1.00 1.00 O ATOM 842 OD2 ASP A 58 2.730 -6.772 8.194 1.00 1.00 O ATOM 0 H ASP A 58 4.535 -4.825 3.979 1.00 1.00 H new ATOM 0 HA ASP A 58 3.323 -7.246 4.877 1.00 1.00 H new ATOM 0 HB2 ASP A 58 5.036 -5.946 6.136 1.00 1.00 H new ATOM 0 HB3 ASP A 58 3.711 -4.934 6.677 1.00 1.00 H new ATOM 847 N ALA A 59 1.278 -4.750 4.280 1.00 1.00 N ATOM 848 CA ALA A 59 -0.151 -4.510 4.140 1.00 1.00 C ATOM 849 C ALA A 59 -0.664 -5.485 3.066 1.00 1.00 C ATOM 850 O ALA A 59 -1.510 -6.326 3.358 1.00 1.00 O ATOM 851 CB ALA A 59 -0.432 -3.053 3.782 1.00 1.00 C ATOM 0 H ALA A 59 1.876 -4.052 3.838 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.673 -4.685 5.081 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -1.507 -2.903 3.684 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -0.046 -2.404 4.568 1.00 1.00 H new ATOM 0 HB3 ALA A 59 0.056 -2.810 2.838 1.00 1.00 H new ATOM 857 N CYS A 60 -0.127 -5.415 1.838 1.00 1.00 N ATOM 858 CA CYS A 60 -0.504 -6.237 0.698 1.00 1.00 C ATOM 859 C CYS A 60 0.737 -6.654 -0.113 1.00 1.00 C ATOM 860 O CYS A 60 1.404 -5.790 -0.687 1.00 1.00 O ATOM 861 CB CYS A 60 -1.480 -5.464 -0.178 1.00 1.00 C ATOM 862 SG CYS A 60 -3.121 -5.305 0.567 1.00 1.00 S ATOM 0 H CYS A 60 0.614 -4.752 1.612 1.00 1.00 H new ATOM 0 HA CYS A 60 -0.985 -7.146 1.059 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -1.077 -4.470 -0.373 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -1.571 -5.965 -1.142 1.00 1.00 H new ATOM 867 N PRO A 61 1.080 -7.951 -0.167 1.00 1.00 N ATOM 868 CA PRO A 61 2.276 -8.470 -0.830 1.00 1.00 C ATOM 869 C PRO A 61 1.993 -9.023 -2.247 1.00 1.00 C ATOM 870 O PRO A 61 0.933 -8.803 -2.840 1.00 1.00 O ATOM 871 CB PRO A 61 2.684 -9.617 0.116 1.00 1.00 C ATOM 872 CG PRO A 61 1.328 -10.242 0.439 1.00 1.00 C ATOM 873 CD PRO A 61 0.468 -9.001 0.641 1.00 1.00 C ATOM 0 HA PRO A 61 3.033 -7.702 -0.985 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.358 -10.326 -0.365 1.00 1.00 H new ATOM 0 HB3 PRO A 61 3.191 -9.252 1.009 1.00 1.00 H new ATOM 0 HG2 PRO A 61 0.960 -10.869 -0.373 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.365 -10.866 1.332 1.00 1.00 H new ATOM 0 HD2 PRO A 61 -0.560 -9.184 0.329 1.00 1.00 H new ATOM 0 HD3 PRO A 61 0.436 -8.715 1.692 1.00 1.00 H new ATOM 881 N VAL A 62 2.979 -9.768 -2.753 1.00 1.00 N ATOM 882 CA VAL A 62 2.973 -10.552 -3.992 1.00 1.00 C ATOM 883 C VAL A 62 2.533 -11.939 -3.462 1.00 1.00 C ATOM 884 O VAL A 62 1.906 -12.043 -2.404 1.00 1.00 O ATOM 885 CB VAL A 62 4.399 -10.523 -4.633 1.00 1.00 C ATOM 886 CG1 VAL A 62 4.753 -11.479 -5.794 1.00 1.00 C ATOM 887 CG2 VAL A 62 4.716 -9.138 -5.191 1.00 1.00 C ATOM 0 H VAL A 62 3.873 -9.845 -2.269 1.00 1.00 H new ATOM 0 HA VAL A 62 2.322 -10.199 -4.792 1.00 1.00 H new ATOM 0 HB VAL A 62 4.979 -10.852 -3.771 1.00 1.00 H new ATOM 0 HG11 VAL A 62 5.784 -11.310 -6.103 1.00 1.00 H new ATOM 0 HG12 VAL A 62 4.638 -12.511 -5.463 1.00 1.00 H new ATOM 0 HG13 VAL A 62 4.086 -11.292 -6.636 1.00 1.00 H new ATOM 0 HG21 VAL A 62 5.713 -9.143 -5.632 1.00 1.00 H new ATOM 0 HG22 VAL A 62 3.983 -8.877 -5.954 1.00 1.00 H new ATOM 0 HG23 VAL A 62 4.679 -8.404 -4.386 1.00 1.00 H new ATOM 897 N VAL A 63 2.833 -13.022 -4.170 1.00 1.00 N ATOM 898 CA VAL A 63 2.585 -14.385 -3.709 1.00 1.00 C ATOM 899 C VAL A 63 3.050 -14.508 -2.244 1.00 1.00 C ATOM 900 O VAL A 63 4.121 -14.033 -1.853 1.00 1.00 O ATOM 901 CB VAL A 63 3.229 -15.434 -4.633 1.00 1.00 C ATOM 902 CG1 VAL A 63 2.662 -16.838 -4.369 1.00 1.00 C ATOM 903 CG2 VAL A 63 3.037 -15.123 -6.130 1.00 1.00 C ATOM 0 H VAL A 63 3.262 -12.978 -5.094 1.00 1.00 H new ATOM 0 HA VAL A 63 1.516 -14.592 -3.750 1.00 1.00 H new ATOM 0 HB VAL A 63 4.293 -15.399 -4.400 1.00 1.00 H new ATOM 0 HG11 VAL A 63 3.138 -17.554 -5.038 1.00 1.00 H new ATOM 0 HG12 VAL A 63 2.859 -17.121 -3.335 1.00 1.00 H new ATOM 0 HG13 VAL A 63 1.587 -16.835 -4.546 1.00 1.00 H new ATOM 0 HG21 VAL A 63 3.514 -15.900 -6.727 1.00 1.00 H new ATOM 0 HG22 VAL A 63 1.972 -15.090 -6.361 1.00 1.00 H new ATOM 0 HG23 VAL A 63 3.489 -14.158 -6.362 1.00 1.00 H new ATOM 913 N ASP A 64 2.218 -15.205 -1.481 1.00 1.00 N ATOM 914 CA ASP A 64 2.201 -15.451 -0.039 1.00 1.00 C ATOM 915 C ASP A 64 3.601 -15.544 0.588 1.00 1.00 C ATOM 916 O ASP A 64 4.361 -16.458 0.249 1.00 1.00 O ATOM 917 CB ASP A 64 1.394 -16.757 0.116 1.00 1.00 C ATOM 918 CG ASP A 64 1.073 -17.157 1.548 1.00 1.00 C ATOM 919 OD1 ASP A 64 1.137 -16.306 2.458 1.00 1.00 O ATOM 920 OD2 ASP A 64 0.703 -18.331 1.773 1.00 1.00 O ATOM 0 H ASP A 64 1.428 -15.678 -1.920 1.00 1.00 H new ATOM 0 HA ASP A 64 1.750 -14.617 0.499 1.00 1.00 H new ATOM 0 HB2 ASP A 64 0.458 -16.654 -0.433 1.00 1.00 H new ATOM 0 HB3 ASP A 64 1.952 -17.567 -0.354 1.00 1.00 H new ATOM 925 N HIS A 65 3.987 -14.594 1.464 1.00 1.00 N ATOM 926 CA HIS A 65 5.250 -14.579 2.166 1.00 1.00 C ATOM 927 C HIS A 65 5.072 -15.214 3.550 1.00 1.00 C ATOM 928 O HIS A 65 5.697 -16.239 3.826 1.00 1.00 O ATOM 929 CB HIS A 65 5.829 -13.166 2.316 1.00 1.00 C ATOM 930 CG HIS A 65 5.884 -12.210 1.142 1.00 1.00 C ATOM 931 ND1 HIS A 65 5.634 -12.478 -0.191 1.00 1.00 N ATOM 932 CD2 HIS A 65 6.244 -10.889 1.243 1.00 1.00 C ATOM 933 CE1 HIS A 65 5.880 -11.347 -0.880 1.00 1.00 C ATOM 934 NE2 HIS A 65 6.262 -10.369 -0.038 1.00 1.00 N ATOM 0 H HIS A 65 3.395 -13.797 1.698 1.00 1.00 H new ATOM 0 HA HIS A 65 5.959 -15.153 1.570 1.00 1.00 H new ATOM 0 HB2 HIS A 65 5.260 -12.671 3.103 1.00 1.00 H new ATOM 0 HB3 HIS A 65 6.849 -13.278 2.683 1.00 1.00 H new ATOM 0 HD1 HIS A 65 5.321 -13.367 -0.581 1.00 1.00 H new ATOM 0 HD2 HIS A 65 6.471 -10.355 2.154 1.00 1.00 H new ATOM 0 HE1 HIS A 65 5.785 -11.241 -1.951 1.00 1.00 H new ATOM 943 N HIS A 66 4.260 -14.617 4.436 1.00 1.00 N ATOM 944 CA HIS A 66 3.877 -15.156 5.746 1.00 1.00 C ATOM 945 C HIS A 66 2.943 -16.332 5.412 1.00 1.00 C ATOM 946 O HIS A 66 1.750 -16.217 5.643 1.00 1.00 O ATOM 947 CB HIS A 66 3.083 -14.109 6.580 1.00 1.00 C ATOM 948 CG HIS A 66 3.729 -12.880 7.182 1.00 1.00 C ATOM 949 ND1 HIS A 66 3.209 -12.248 8.300 1.00 1.00 N ATOM 950 CD2 HIS A 66 4.589 -12.000 6.575 1.00 1.00 C ATOM 951 CE1 HIS A 66 3.754 -11.022 8.379 1.00 1.00 C ATOM 952 NE2 HIS A 66 4.582 -10.840 7.337 1.00 1.00 N ATOM 0 H HIS A 66 3.836 -13.708 4.250 1.00 1.00 H new ATOM 0 HA HIS A 66 4.752 -15.438 6.332 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.274 -13.753 5.942 1.00 1.00 H new ATOM 0 HB3 HIS A 66 2.623 -14.653 7.405 1.00 1.00 H new ATOM 0 HD2 HIS A 66 5.162 -12.176 5.676 1.00 1.00 H new ATOM 0 HE1 HIS A 66 3.558 -10.298 9.156 1.00 1.00 H new ATOM 0 HE2 HIS A 66 5.115 -9.993 7.139 1.00 1.00 H new ATOM 961 N HIS A 67 3.466 -17.462 4.922 1.00 1.00 N ATOM 962 CA HIS A 67 2.695 -18.604 4.419 1.00 1.00 C ATOM 963 C HIS A 67 1.357 -18.911 5.100 1.00 1.00 C ATOM 964 O HIS A 67 1.289 -19.695 6.043 1.00 1.00 O ATOM 965 CB HIS A 67 3.568 -19.842 4.155 1.00 1.00 C ATOM 966 CG HIS A 67 3.897 -19.920 2.683 1.00 1.00 C ATOM 967 ND1 HIS A 67 3.180 -20.639 1.742 1.00 1.00 N ATOM 968 CD2 HIS A 67 4.686 -19.026 2.015 1.00 1.00 C ATOM 969 CE1 HIS A 67 3.517 -20.175 0.526 1.00 1.00 C ATOM 970 NE2 HIS A 67 4.430 -19.193 0.670 1.00 1.00 N ATOM 0 H HIS A 67 4.473 -17.611 4.863 1.00 1.00 H new ATOM 0 HA HIS A 67 2.348 -18.247 3.449 1.00 1.00 H new ATOM 0 HB2 HIS A 67 4.485 -19.785 4.741 1.00 1.00 H new ATOM 0 HB3 HIS A 67 3.044 -20.744 4.470 1.00 1.00 H new ATOM 0 HD1 HIS A 67 2.515 -21.387 1.937 1.00 1.00 H new ATOM 0 HD2 HIS A 67 5.378 -18.323 2.456 1.00 1.00 H new ATOM 0 HE1 HIS A 67 3.121 -20.531 -0.414 1.00 1.00 H new ATOM 979 N HIS A 68 0.291 -18.316 4.562 1.00 1.00 N ATOM 980 CA HIS A 68 -1.101 -18.537 4.933 1.00 1.00 C ATOM 981 C HIS A 68 -1.644 -19.759 4.197 1.00 1.00 C ATOM 982 O HIS A 68 -2.675 -20.313 4.582 1.00 1.00 O ATOM 983 CB HIS A 68 -1.952 -17.317 4.524 1.00 1.00 C ATOM 984 CG HIS A 68 -1.380 -15.989 4.949 1.00 1.00 C ATOM 985 ND1 HIS A 68 -0.622 -15.149 4.153 1.00 1.00 N ATOM 986 CD2 HIS A 68 -1.406 -15.471 6.214 1.00 1.00 C ATOM 987 CE1 HIS A 68 -0.212 -14.126 4.917 1.00 1.00 C ATOM 988 NE2 HIS A 68 -0.644 -14.321 6.179 1.00 1.00 N ATOM 0 H HIS A 68 0.385 -17.629 3.814 1.00 1.00 H new ATOM 0 HA HIS A 68 -1.152 -18.690 6.011 1.00 1.00 H new ATOM 0 HB2 HIS A 68 -2.070 -17.318 3.440 1.00 1.00 H new ATOM 0 HB3 HIS A 68 -2.948 -17.424 4.953 1.00 1.00 H new ATOM 0 HD2 HIS A 68 -1.921 -15.881 7.071 1.00 1.00 H new ATOM 0 HE1 HIS A 68 0.370 -13.282 4.576 1.00 1.00 H new ATOM 0 HE2 HIS A 68 -0.441 -13.718 6.976 1.00 1.00 H new ATOM 997 N HIS A 69 -1.041 -20.136 3.069 1.00 1.00 N ATOM 998 CA HIS A 69 -1.488 -21.195 2.173 1.00 1.00 C ATOM 999 C HIS A 69 -0.284 -22.063 1.803 1.00 1.00 C ATOM 1000 O HIS A 69 0.794 -21.928 2.392 1.00 1.00 O ATOM 1001 CB HIS A 69 -2.138 -20.556 0.928 1.00 1.00 C ATOM 1002 CG HIS A 69 -3.387 -19.740 1.184 1.00 1.00 C ATOM 1003 ND1 HIS A 69 -4.187 -19.767 2.319 1.00 1.00 N ATOM 1004 CD2 HIS A 69 -3.911 -18.816 0.318 1.00 1.00 C ATOM 1005 CE1 HIS A 69 -5.172 -18.871 2.140 1.00 1.00 C ATOM 1006 NE2 HIS A 69 -5.026 -18.293 0.936 1.00 1.00 N ATOM 0 H HIS A 69 -0.186 -19.687 2.742 1.00 1.00 H new ATOM 0 HA HIS A 69 -2.233 -21.830 2.653 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -1.401 -19.915 0.445 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -2.383 -21.349 0.222 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -3.526 -18.550 -0.656 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -5.955 -18.651 2.850 1.00 1.00 H new ATOM 0 HE2 HIS A 69 -5.642 -17.581 0.543 1.00 1.00 H new ATOM 1015 N HIS A 70 -0.491 -23.012 0.885 1.00 1.00 N ATOM 1016 CA HIS A 70 0.593 -23.816 0.339 1.00 1.00 C ATOM 1017 C HIS A 70 1.587 -22.840 -0.283 1.00 1.00 C ATOM 1018 O HIS A 70 2.796 -23.142 -0.216 1.00 1.00 O ATOM 1019 CB HIS A 70 0.061 -24.819 -0.703 1.00 1.00 C ATOM 1020 CG HIS A 70 1.102 -25.775 -1.255 1.00 1.00 C ATOM 1021 ND1 HIS A 70 2.465 -25.549 -1.310 1.00 1.00 N ATOM 1022 CD2 HIS A 70 0.855 -26.999 -1.816 1.00 1.00 C ATOM 1023 CE1 HIS A 70 3.041 -26.616 -1.892 1.00 1.00 C ATOM 1024 NE2 HIS A 70 2.081 -27.513 -2.207 1.00 1.00 N ATOM 1025 OXT HIS A 70 1.140 -21.819 -0.835 1.00 1.00 O ATOM 0 H HIS A 70 -1.410 -23.239 0.505 1.00 1.00 H new ATOM 0 HA HIS A 70 1.074 -24.410 1.117 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -0.742 -25.400 -0.250 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -0.377 -24.263 -1.532 1.00 1.00 H new ATOM 0 HD1 HIS A 70 2.949 -24.718 -0.969 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -0.109 -27.472 -1.931 1.00 1.00 H new ATOM 0 HE1 HIS A 70 4.098 -26.736 -2.077 1.00 1.00 H new TER 1034 HIS A 70