USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 HIS : no HD1:sc= -0.162 X(o=3.5,f=3.6) USER MOD Set 1.2: A 52 SER OG : rot 179:sc= 2.48 USER MOD Set 1.3: A 55 SER OG : rot -63:sc= 1.23 USER MOD Set 2.1: A 33 GLN : amide:sc= 1.64 K(o=2.6,f=1.9) USER MOD Set 2.2: A 65 HIS : no HE2:sc= 1 K(o=2.6,f=-5.7!) USER MOD Set 3.1: A 29 SER OG : rot -120:sc= -0.115 USER MOD Set 3.2: A 36 HIS : +bothHN:sc= 1 K(o=0.89,f=-8!) USER MOD Single : A 1 GLU N :NH3+ 169:sc= 2.2 (180deg=1.9) USER MOD Single : A 7 THR OG1 : rot 57:sc= 0.328 USER MOD Single : A 16 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.094) USER MOD Single : A 28 TYR OH : rot 131:sc= 0.103 USER MOD Single : A 34 GLN : amide:sc= -1.25 X(o=-1.3,f=-1.6) USER MOD Single : A 40 TYR OH : rot -39:sc= 0.814 USER MOD Single : A 46 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.74) USER MOD Single : A 48 ASN : amide:sc= 1.92 K(o=1.9,f=-7.6!) USER MOD Single : A 49 ASN : amide:sc= 1.04 K(o=1,f=-8.3!) USER MOD Single : A 66 HIS : no HE2:sc= -0.325! C(o=-0.32!,f=-5.6!) USER MOD Single : A 67 HIS : +bothHN:sc= -0.774 K(o=-0.77,f=-3.6!) USER MOD Single : A 68 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-3.5!) USER MOD Single : A 69 HIS : no HD1:sc= 0.0195 K(o=0.019,f=-4.7!) USER MOD Single : A 70 HIS : +bothHN:sc= 1.47 K(o=1.5,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -1.978 -11.895 -0.078 1.00 1.00 N ATOM 2 CA GLU A 1 -2.214 -10.656 -0.850 1.00 1.00 C ATOM 3 C GLU A 1 -3.615 -10.119 -0.510 1.00 1.00 C ATOM 4 O GLU A 1 -4.302 -10.727 0.308 1.00 1.00 O ATOM 5 CB GLU A 1 -2.082 -10.899 -2.371 1.00 1.00 C ATOM 6 CG GLU A 1 -0.694 -11.278 -2.923 1.00 1.00 C ATOM 7 CD GLU A 1 -0.365 -12.773 -2.827 1.00 1.00 C ATOM 8 OE1 GLU A 1 -0.303 -13.316 -1.711 1.00 1.00 O ATOM 9 OE2 GLU A 1 -0.212 -13.429 -3.884 1.00 1.00 O ATOM 0 H1 GLU A 1 -1.122 -12.367 -0.432 1.00 1.00 H new ATOM 0 H2 GLU A 1 -1.853 -11.659 0.927 1.00 1.00 H new ATOM 0 H3 GLU A 1 -2.794 -12.531 -0.185 1.00 1.00 H new ATOM 0 HA GLU A 1 -1.457 -9.921 -0.576 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -2.778 -11.692 -2.645 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -2.410 -9.995 -2.884 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -0.635 -10.971 -3.967 1.00 1.00 H new ATOM 0 HG3 GLU A 1 0.066 -10.715 -2.381 1.00 1.00 H new ATOM 18 N ALA A 2 -4.093 -9.048 -1.162 1.00 1.00 N ATOM 19 CA ALA A 2 -5.530 -8.894 -1.400 1.00 1.00 C ATOM 20 C ALA A 2 -5.933 -10.020 -2.359 1.00 1.00 C ATOM 21 O ALA A 2 -5.277 -10.202 -3.398 1.00 1.00 O ATOM 22 CB ALA A 2 -5.843 -7.520 -1.989 1.00 1.00 C ATOM 0 H ALA A 2 -3.515 -8.291 -1.527 1.00 1.00 H new ATOM 0 HA ALA A 2 -6.093 -8.960 -0.469 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -6.916 -7.432 -2.156 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -5.519 -6.744 -1.295 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -5.317 -7.402 -2.937 1.00 1.00 H new ATOM 28 N GLU A 3 -6.988 -10.776 -2.034 1.00 1.00 N ATOM 29 CA GLU A 3 -7.346 -11.962 -2.814 1.00 1.00 C ATOM 30 C GLU A 3 -8.821 -12.185 -3.131 1.00 1.00 C ATOM 31 O GLU A 3 -9.071 -12.898 -4.103 1.00 1.00 O ATOM 32 CB GLU A 3 -6.786 -13.207 -2.096 1.00 1.00 C ATOM 33 CG GLU A 3 -5.255 -13.154 -2.085 1.00 1.00 C ATOM 34 CD GLU A 3 -4.570 -14.355 -1.467 1.00 1.00 C ATOM 35 OE1 GLU A 3 -4.833 -15.497 -1.909 1.00 1.00 O ATOM 36 OE2 GLU A 3 -3.636 -14.100 -0.674 1.00 1.00 O ATOM 0 H GLU A 3 -7.603 -10.588 -1.242 1.00 1.00 H new ATOM 0 HA GLU A 3 -6.901 -11.785 -3.793 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -7.165 -13.251 -1.075 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -7.124 -14.112 -2.600 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -4.904 -13.045 -3.111 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -4.943 -12.260 -1.545 1.00 1.00 H new ATOM 43 N ALA A 4 -9.765 -11.644 -2.355 1.00 1.00 N ATOM 44 CA ALA A 4 -11.200 -11.901 -2.499 1.00 1.00 C ATOM 45 C ALA A 4 -11.962 -10.625 -2.877 1.00 1.00 C ATOM 46 O ALA A 4 -11.347 -9.589 -3.119 1.00 1.00 O ATOM 47 CB ALA A 4 -11.720 -12.532 -1.199 1.00 1.00 C ATOM 0 H ALA A 4 -9.548 -11.002 -1.593 1.00 1.00 H new ATOM 0 HA ALA A 4 -11.369 -12.601 -3.318 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -12.788 -12.729 -1.292 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -11.193 -13.468 -1.013 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -11.548 -11.848 -0.368 1.00 1.00 H new ATOM 53 N GLU A 5 -13.297 -10.700 -2.903 1.00 1.00 N ATOM 54 CA GLU A 5 -14.204 -9.576 -3.139 1.00 1.00 C ATOM 55 C GLU A 5 -14.010 -8.475 -2.090 1.00 1.00 C ATOM 56 O GLU A 5 -14.309 -7.311 -2.367 1.00 1.00 O ATOM 57 CB GLU A 5 -15.677 -10.040 -3.121 1.00 1.00 C ATOM 58 CG GLU A 5 -16.095 -10.988 -4.264 1.00 1.00 C ATOM 59 CD GLU A 5 -15.797 -12.477 -4.032 1.00 1.00 C ATOM 60 OE1 GLU A 5 -15.006 -12.821 -3.123 1.00 1.00 O ATOM 61 OE2 GLU A 5 -16.293 -13.312 -4.824 1.00 1.00 O ATOM 0 H GLU A 5 -13.792 -11.579 -2.754 1.00 1.00 H new ATOM 0 HA GLU A 5 -13.966 -9.174 -4.124 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -15.870 -10.539 -2.171 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -16.317 -9.158 -3.153 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -17.165 -10.872 -4.435 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -15.590 -10.672 -5.177 1.00 1.00 H new ATOM 68 N PHE A 6 -13.521 -8.831 -0.892 1.00 1.00 N ATOM 69 CA PHE A 6 -13.163 -7.879 0.147 1.00 1.00 C ATOM 70 C PHE A 6 -11.996 -7.056 -0.394 1.00 1.00 C ATOM 71 O PHE A 6 -10.838 -7.480 -0.358 1.00 1.00 O ATOM 72 CB PHE A 6 -12.821 -8.577 1.473 1.00 1.00 C ATOM 73 CG PHE A 6 -12.547 -7.588 2.593 1.00 1.00 C ATOM 74 CD1 PHE A 6 -13.612 -7.098 3.376 1.00 1.00 C ATOM 75 CD2 PHE A 6 -11.241 -7.109 2.820 1.00 1.00 C ATOM 76 CE1 PHE A 6 -13.372 -6.133 4.371 1.00 1.00 C ATOM 77 CE2 PHE A 6 -11.003 -6.140 3.810 1.00 1.00 C ATOM 78 CZ PHE A 6 -12.069 -5.650 4.585 1.00 1.00 C ATOM 0 H PHE A 6 -13.365 -9.803 -0.624 1.00 1.00 H new ATOM 0 HA PHE A 6 -14.006 -7.230 0.382 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -13.646 -9.229 1.761 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -11.947 -9.213 1.331 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -14.615 -7.464 3.212 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -10.419 -7.488 2.231 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -14.190 -5.763 4.971 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -10.001 -5.772 3.975 1.00 1.00 H new ATOM 0 HZ PHE A 6 -11.887 -4.903 5.344 1.00 1.00 H new ATOM 88 N THR A 7 -12.332 -5.911 -0.976 1.00 1.00 N ATOM 89 CA THR A 7 -11.390 -5.054 -1.647 1.00 1.00 C ATOM 90 C THR A 7 -10.701 -4.212 -0.582 1.00 1.00 C ATOM 91 O THR A 7 -11.236 -3.187 -0.156 1.00 1.00 O ATOM 92 CB THR A 7 -12.130 -4.212 -2.697 1.00 1.00 C ATOM 93 OG1 THR A 7 -12.773 -5.068 -3.628 1.00 1.00 O ATOM 94 CG2 THR A 7 -11.151 -3.315 -3.463 1.00 1.00 C ATOM 0 H THR A 7 -13.288 -5.555 -0.989 1.00 1.00 H new ATOM 0 HA THR A 7 -10.628 -5.618 -2.184 1.00 1.00 H new ATOM 0 HB THR A 7 -12.861 -3.591 -2.179 1.00 1.00 H new ATOM 0 HG1 THR A 7 -13.377 -5.675 -3.151 1.00 1.00 H new ATOM 0 HG21 THR A 7 -11.697 -2.728 -4.201 1.00 1.00 H new ATOM 0 HG22 THR A 7 -10.649 -2.645 -2.765 1.00 1.00 H new ATOM 0 HG23 THR A 7 -10.409 -3.934 -3.968 1.00 1.00 H new ATOM 102 N ASP A 8 -9.547 -4.682 -0.114 1.00 1.00 N ATOM 103 CA ASP A 8 -8.735 -3.891 0.797 1.00 1.00 C ATOM 104 C ASP A 8 -8.254 -2.644 0.037 1.00 1.00 C ATOM 105 O ASP A 8 -8.167 -2.650 -1.201 1.00 1.00 O ATOM 106 CB ASP A 8 -7.550 -4.704 1.334 1.00 1.00 C ATOM 107 CG ASP A 8 -6.627 -3.763 2.101 1.00 1.00 C ATOM 108 OD1 ASP A 8 -7.115 -3.140 3.069 1.00 1.00 O ATOM 109 OD2 ASP A 8 -5.539 -3.477 1.563 1.00 1.00 O ATOM 0 H ASP A 8 -9.160 -5.596 -0.349 1.00 1.00 H new ATOM 0 HA ASP A 8 -9.327 -3.596 1.663 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -7.903 -5.503 1.986 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -7.012 -5.177 0.513 1.00 1.00 H new ATOM 114 N ALA A 9 -7.898 -1.583 0.766 1.00 1.00 N ATOM 115 CA ALA A 9 -7.380 -0.354 0.194 1.00 1.00 C ATOM 116 C ALA A 9 -6.224 -0.620 -0.768 1.00 1.00 C ATOM 117 O ALA A 9 -6.106 0.105 -1.746 1.00 1.00 O ATOM 118 CB ALA A 9 -6.919 0.600 1.299 1.00 1.00 C ATOM 0 H ALA A 9 -7.965 -1.561 1.784 1.00 1.00 H new ATOM 0 HA ALA A 9 -8.192 0.107 -0.369 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -6.534 1.516 0.851 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -7.762 0.840 1.948 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -6.133 0.124 1.886 1.00 1.00 H new ATOM 124 N CYS A 10 -5.393 -1.640 -0.555 1.00 1.00 N ATOM 125 CA CYS A 10 -4.204 -1.870 -1.366 1.00 1.00 C ATOM 126 C CYS A 10 -4.568 -2.167 -2.833 1.00 1.00 C ATOM 127 O CYS A 10 -3.746 -1.973 -3.729 1.00 1.00 O ATOM 128 CB CYS A 10 -3.330 -2.948 -0.702 1.00 1.00 C ATOM 129 SG CYS A 10 -3.603 -4.675 -1.170 1.00 1.00 S ATOM 0 H CYS A 10 -5.528 -2.329 0.185 1.00 1.00 H new ATOM 0 HA CYS A 10 -3.605 -0.960 -1.410 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.288 -2.707 -0.910 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -3.466 -2.869 0.377 1.00 1.00 H new ATOM 134 N VAL A 11 -5.802 -2.599 -3.114 1.00 1.00 N ATOM 135 CA VAL A 11 -6.303 -2.797 -4.472 1.00 1.00 C ATOM 136 C VAL A 11 -6.594 -1.437 -5.137 1.00 1.00 C ATOM 137 O VAL A 11 -6.397 -1.275 -6.343 1.00 1.00 O ATOM 138 CB VAL A 11 -7.574 -3.674 -4.413 1.00 1.00 C ATOM 139 CG1 VAL A 11 -8.094 -4.069 -5.806 1.00 1.00 C ATOM 140 CG2 VAL A 11 -7.353 -4.979 -3.628 1.00 1.00 C ATOM 0 H VAL A 11 -6.487 -2.823 -2.393 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.550 -3.304 -5.076 1.00 1.00 H new ATOM 0 HB VAL A 11 -8.308 -3.047 -3.907 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -8.988 -4.684 -5.700 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -8.337 -3.170 -6.372 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -7.326 -4.633 -6.335 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -8.277 -5.558 -3.617 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -6.565 -5.562 -4.105 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -7.060 -4.743 -2.605 1.00 1.00 H new ATOM 150 N LEU A 12 -7.092 -0.475 -4.357 1.00 1.00 N ATOM 151 CA LEU A 12 -7.526 0.853 -4.765 1.00 1.00 C ATOM 152 C LEU A 12 -6.375 1.761 -5.172 1.00 1.00 C ATOM 153 O LEU A 12 -5.407 1.887 -4.429 1.00 1.00 O ATOM 154 CB LEU A 12 -8.406 1.450 -3.660 1.00 1.00 C ATOM 155 CG LEU A 12 -8.619 2.967 -3.516 1.00 1.00 C ATOM 156 CD1 LEU A 12 -9.335 3.627 -4.704 1.00 1.00 C ATOM 157 CD2 LEU A 12 -9.475 3.182 -2.258 1.00 1.00 C ATOM 0 H LEU A 12 -7.209 -0.619 -3.354 1.00 1.00 H new ATOM 0 HA LEU A 12 -8.122 0.762 -5.673 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -9.394 1.003 -3.770 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -8.001 1.098 -2.711 1.00 1.00 H new ATOM 0 HG LEU A 12 -7.634 3.431 -3.462 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -9.442 4.695 -4.516 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -8.751 3.475 -5.611 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -10.321 3.180 -4.828 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -9.652 4.248 -2.116 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -10.429 2.668 -2.375 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -8.952 2.782 -1.389 1.00 1.00 H new ATOM 169 N PRO A 13 -6.466 2.412 -6.345 1.00 1.00 N ATOM 170 CA PRO A 13 -5.496 3.405 -6.777 1.00 1.00 C ATOM 171 C PRO A 13 -5.277 4.479 -5.702 1.00 1.00 C ATOM 172 O PRO A 13 -6.164 4.774 -4.900 1.00 1.00 O ATOM 173 CB PRO A 13 -6.071 4.016 -8.056 1.00 1.00 C ATOM 174 CG PRO A 13 -7.018 2.941 -8.599 1.00 1.00 C ATOM 175 CD PRO A 13 -7.485 2.186 -7.355 1.00 1.00 C ATOM 0 HA PRO A 13 -4.519 2.954 -6.952 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -6.602 4.945 -7.849 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -5.284 4.251 -8.773 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -7.858 3.384 -9.134 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -6.508 2.278 -9.299 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -8.456 2.550 -7.019 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -7.599 1.122 -7.564 1.00 1.00 H new ATOM 183 N ALA A 14 -4.098 5.094 -5.714 1.00 1.00 N ATOM 184 CA ALA A 14 -3.757 6.151 -4.773 1.00 1.00 C ATOM 185 C ALA A 14 -4.264 7.501 -5.284 1.00 1.00 C ATOM 186 O ALA A 14 -4.589 7.646 -6.464 1.00 1.00 O ATOM 187 CB ALA A 14 -2.239 6.170 -4.575 1.00 1.00 C ATOM 0 H ALA A 14 -3.354 4.873 -6.376 1.00 1.00 H new ATOM 0 HA ALA A 14 -4.237 5.961 -3.813 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -1.974 6.959 -3.871 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -1.911 5.208 -4.182 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -1.750 6.357 -5.531 1.00 1.00 H new ATOM 193 N VAL A 15 -4.264 8.505 -4.409 1.00 1.00 N ATOM 194 CA VAL A 15 -4.585 9.897 -4.704 1.00 1.00 C ATOM 195 C VAL A 15 -3.506 10.719 -4.004 1.00 1.00 C ATOM 196 O VAL A 15 -3.012 10.331 -2.944 1.00 1.00 O ATOM 197 CB VAL A 15 -6.012 10.237 -4.226 1.00 1.00 C ATOM 198 CG1 VAL A 15 -6.327 11.741 -4.203 1.00 1.00 C ATOM 199 CG2 VAL A 15 -7.069 9.545 -5.096 1.00 1.00 C ATOM 0 H VAL A 15 -4.028 8.361 -3.427 1.00 1.00 H new ATOM 0 HA VAL A 15 -4.587 10.112 -5.773 1.00 1.00 H new ATOM 0 HB VAL A 15 -6.049 9.871 -3.200 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -7.349 11.893 -3.855 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -5.635 12.247 -3.530 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -6.221 12.150 -5.208 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -8.064 9.804 -4.734 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -6.962 9.874 -6.130 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -6.933 8.465 -5.043 1.00 1.00 H new ATOM 209 N GLN A 16 -3.143 11.841 -4.623 1.00 1.00 N ATOM 210 CA GLN A 16 -2.043 12.702 -4.189 1.00 1.00 C ATOM 211 C GLN A 16 -2.532 13.892 -3.353 1.00 1.00 C ATOM 212 O GLN A 16 -1.762 14.434 -2.561 1.00 1.00 O ATOM 213 CB GLN A 16 -1.241 13.205 -5.406 1.00 1.00 C ATOM 214 CG GLN A 16 -0.964 12.125 -6.477 1.00 1.00 C ATOM 215 CD GLN A 16 0.220 12.433 -7.404 1.00 1.00 C ATOM 216 OE1 GLN A 16 0.825 11.528 -7.969 1.00 1.00 O ATOM 217 NE2 GLN A 16 0.563 13.694 -7.628 1.00 1.00 N ATOM 0 H GLN A 16 -3.616 12.185 -5.459 1.00 1.00 H new ATOM 0 HA GLN A 16 -1.396 12.099 -3.553 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.785 14.028 -5.869 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.290 13.607 -5.058 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -0.779 11.175 -5.976 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -1.860 11.996 -7.084 1.00 1.00 H new ATOM 0 HE21 GLN A 16 0.062 14.450 -7.160 1.00 1.00 H new ATOM 0 HE22 GLN A 16 1.327 13.909 -8.268 1.00 1.00 H new ATOM 226 N GLY A 17 -3.795 14.280 -3.541 1.00 1.00 N ATOM 227 CA GLY A 17 -4.433 15.435 -2.933 1.00 1.00 C ATOM 228 C GLY A 17 -4.139 16.728 -3.706 1.00 1.00 C ATOM 229 O GLY A 17 -3.303 16.737 -4.611 1.00 1.00 O ATOM 0 H GLY A 17 -4.428 13.766 -4.154 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -5.510 15.274 -2.892 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -4.087 15.541 -1.905 1.00 1.00 H new ATOM 233 N PRO A 18 -4.828 17.834 -3.374 1.00 1.00 N ATOM 234 CA PRO A 18 -4.749 19.110 -4.090 1.00 1.00 C ATOM 235 C PRO A 18 -3.474 19.931 -3.820 1.00 1.00 C ATOM 236 O PRO A 18 -3.353 21.050 -4.330 1.00 1.00 O ATOM 237 CB PRO A 18 -6.012 19.873 -3.673 1.00 1.00 C ATOM 238 CG PRO A 18 -6.278 19.363 -2.260 1.00 1.00 C ATOM 239 CD PRO A 18 -5.867 17.894 -2.350 1.00 1.00 C ATOM 0 HA PRO A 18 -4.692 18.927 -5.163 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -5.854 20.951 -3.689 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -6.848 19.663 -4.341 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -5.691 19.903 -1.517 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -7.326 19.474 -1.980 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -5.493 17.533 -1.392 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -6.717 17.266 -2.618 1.00 1.00 H new ATOM 247 N CYS A 19 -2.586 19.483 -2.931 1.00 1.00 N ATOM 248 CA CYS A 19 -1.393 20.199 -2.481 1.00 1.00 C ATOM 249 C CYS A 19 -0.404 20.504 -3.615 1.00 1.00 C ATOM 250 O CYS A 19 -0.626 20.183 -4.779 1.00 1.00 O ATOM 251 CB CYS A 19 -0.684 19.369 -1.405 1.00 1.00 C ATOM 252 SG CYS A 19 -1.618 19.117 0.111 1.00 1.00 S ATOM 0 H CYS A 19 -2.684 18.571 -2.486 1.00 1.00 H new ATOM 0 HA CYS A 19 -1.728 21.157 -2.085 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -0.436 18.395 -1.826 1.00 1.00 H new ATOM 0 HB3 CYS A 19 0.258 19.857 -1.155 1.00 1.00 H new ATOM 257 N ARG A 20 0.690 21.184 -3.261 1.00 1.00 N ATOM 258 CA ARG A 20 1.829 21.469 -4.138 1.00 1.00 C ATOM 259 C ARG A 20 3.182 21.159 -3.490 1.00 1.00 C ATOM 260 O ARG A 20 4.230 21.453 -4.056 1.00 1.00 O ATOM 261 CB ARG A 20 1.745 22.882 -4.713 1.00 1.00 C ATOM 262 CG ARG A 20 0.809 22.977 -5.937 1.00 1.00 C ATOM 263 CD ARG A 20 -0.379 23.927 -5.778 1.00 1.00 C ATOM 264 NE ARG A 20 -1.415 23.421 -4.853 1.00 1.00 N ATOM 265 CZ ARG A 20 -2.094 24.134 -3.942 1.00 1.00 C ATOM 266 NH1 ARG A 20 -1.774 25.402 -3.679 1.00 1.00 N ATOM 267 NH2 ARG A 20 -3.101 23.572 -3.287 1.00 1.00 N ATOM 0 H ARG A 20 0.811 21.565 -2.323 1.00 1.00 H new ATOM 0 HA ARG A 20 1.762 20.780 -4.980 1.00 1.00 H new ATOM 0 HB2 ARG A 20 1.393 23.564 -3.939 1.00 1.00 H new ATOM 0 HB3 ARG A 20 2.744 23.213 -4.999 1.00 1.00 H new ATOM 0 HG2 ARG A 20 1.396 23.296 -6.799 1.00 1.00 H new ATOM 0 HG3 ARG A 20 0.429 21.980 -6.161 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -0.019 24.890 -5.417 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -0.829 24.101 -6.755 1.00 1.00 H new ATOM 0 HE ARG A 20 -1.636 22.427 -4.914 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -1.001 25.846 -4.174 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -2.303 25.927 -2.983 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -3.355 22.603 -3.477 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -3.621 24.109 -2.593 1.00 1.00 H new ATOM 281 N GLY A 21 3.142 20.616 -2.282 1.00 1.00 N ATOM 282 CA GLY A 21 4.301 20.112 -1.561 1.00 1.00 C ATOM 283 C GLY A 21 4.257 18.620 -1.893 1.00 1.00 C ATOM 284 O GLY A 21 3.154 18.094 -2.066 1.00 1.00 O ATOM 0 H GLY A 21 2.272 20.511 -1.760 1.00 1.00 H new ATOM 0 HA2 GLY A 21 5.226 20.578 -1.899 1.00 1.00 H new ATOM 0 HA3 GLY A 21 4.226 20.294 -0.489 1.00 1.00 H new ATOM 288 N TRP A 22 5.389 17.916 -1.879 1.00 1.00 N ATOM 289 CA TRP A 22 5.438 16.532 -2.327 1.00 1.00 C ATOM 290 C TRP A 22 6.130 15.642 -1.302 1.00 1.00 C ATOM 291 O TRP A 22 7.345 15.680 -1.135 1.00 1.00 O ATOM 292 CB TRP A 22 6.075 16.491 -3.724 1.00 1.00 C ATOM 293 CG TRP A 22 5.435 17.401 -4.747 1.00 1.00 C ATOM 294 CD1 TRP A 22 6.097 18.344 -5.453 1.00 1.00 C ATOM 295 CD2 TRP A 22 4.025 17.541 -5.136 1.00 1.00 C ATOM 296 NE1 TRP A 22 5.211 19.052 -6.240 1.00 1.00 N ATOM 297 CE2 TRP A 22 3.918 18.603 -6.084 1.00 1.00 C ATOM 298 CE3 TRP A 22 2.815 16.915 -4.759 1.00 1.00 C ATOM 299 CZ2 TRP A 22 2.690 19.013 -6.630 1.00 1.00 C ATOM 300 CZ3 TRP A 22 1.577 17.313 -5.297 1.00 1.00 C ATOM 301 CH2 TRP A 22 1.513 18.354 -6.238 1.00 1.00 C ATOM 0 H TRP A 22 6.284 18.286 -1.561 1.00 1.00 H new ATOM 0 HA TRP A 22 4.432 16.122 -2.412 1.00 1.00 H new ATOM 0 HB2 TRP A 22 7.129 16.755 -3.634 1.00 1.00 H new ATOM 0 HB3 TRP A 22 6.034 15.467 -4.095 1.00 1.00 H new ATOM 0 HD1 TRP A 22 7.162 18.518 -5.408 1.00 1.00 H new ATOM 0 HE1 TRP A 22 5.481 19.815 -6.861 1.00 1.00 H new ATOM 0 HE3 TRP A 22 2.841 16.110 -4.039 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 2.652 19.824 -7.342 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 0.671 16.815 -4.985 1.00 1.00 H new ATOM 0 HH2 TRP A 22 0.562 18.647 -6.659 1.00 1.00 H new ATOM 312 N GLU A 23 5.306 14.861 -0.617 1.00 1.00 N ATOM 313 CA GLU A 23 5.618 13.819 0.345 1.00 1.00 C ATOM 314 C GLU A 23 5.649 12.488 -0.439 1.00 1.00 C ATOM 315 O GLU A 23 4.619 12.100 -0.996 1.00 1.00 O ATOM 316 CB GLU A 23 4.506 13.861 1.420 1.00 1.00 C ATOM 317 CG GLU A 23 4.427 12.657 2.363 1.00 1.00 C ATOM 318 CD GLU A 23 5.535 12.509 3.400 1.00 1.00 C ATOM 319 OE1 GLU A 23 6.649 13.019 3.177 1.00 1.00 O ATOM 320 OE2 GLU A 23 5.223 11.823 4.406 1.00 1.00 O ATOM 0 H GLU A 23 4.297 14.954 -0.736 1.00 1.00 H new ATOM 0 HA GLU A 23 6.579 13.942 0.845 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.646 14.759 2.022 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.546 13.963 0.915 1.00 1.00 H new ATOM 0 HG2 GLU A 23 3.475 12.704 2.891 1.00 1.00 H new ATOM 0 HG3 GLU A 23 4.411 11.752 1.755 1.00 1.00 H new ATOM 327 N PRO A 24 6.792 11.790 -0.566 1.00 1.00 N ATOM 328 CA PRO A 24 6.865 10.472 -1.198 1.00 1.00 C ATOM 329 C PRO A 24 6.174 9.439 -0.308 1.00 1.00 C ATOM 330 O PRO A 24 6.554 9.223 0.844 1.00 1.00 O ATOM 331 CB PRO A 24 8.360 10.192 -1.366 1.00 1.00 C ATOM 332 CG PRO A 24 9.008 10.968 -0.219 1.00 1.00 C ATOM 333 CD PRO A 24 8.092 12.177 -0.036 1.00 1.00 C ATOM 0 HA PRO A 24 6.359 10.427 -2.162 1.00 1.00 H new ATOM 0 HB2 PRO A 24 8.577 9.126 -1.300 1.00 1.00 H new ATOM 0 HB3 PRO A 24 8.724 10.532 -2.335 1.00 1.00 H new ATOM 0 HG2 PRO A 24 9.065 10.368 0.689 1.00 1.00 H new ATOM 0 HG3 PRO A 24 10.026 11.271 -0.465 1.00 1.00 H new ATOM 0 HD2 PRO A 24 8.017 12.452 1.016 1.00 1.00 H new ATOM 0 HD3 PRO A 24 8.484 13.046 -0.565 1.00 1.00 H new ATOM 341 N ARG A 25 5.167 8.759 -0.852 1.00 1.00 N ATOM 342 CA ARG A 25 4.482 7.656 -0.183 1.00 1.00 C ATOM 343 C ARG A 25 4.562 6.424 -1.058 1.00 1.00 C ATOM 344 O ARG A 25 5.165 6.455 -2.129 1.00 1.00 O ATOM 345 CB ARG A 25 3.041 8.065 0.172 1.00 1.00 C ATOM 346 CG ARG A 25 2.993 9.150 1.253 1.00 1.00 C ATOM 347 CD ARG A 25 3.530 8.662 2.606 1.00 1.00 C ATOM 348 NE ARG A 25 3.520 9.720 3.629 1.00 1.00 N ATOM 349 CZ ARG A 25 2.499 10.159 4.368 1.00 1.00 C ATOM 350 NH1 ARG A 25 1.292 9.601 4.285 1.00 1.00 N ATOM 351 NH2 ARG A 25 2.713 11.172 5.196 1.00 1.00 N ATOM 0 H ARG A 25 4.799 8.961 -1.782 1.00 1.00 H new ATOM 0 HA ARG A 25 4.968 7.414 0.762 1.00 1.00 H new ATOM 0 HB2 ARG A 25 2.537 8.426 -0.725 1.00 1.00 H new ATOM 0 HB3 ARG A 25 2.491 7.189 0.516 1.00 1.00 H new ATOM 0 HG2 ARG A 25 3.576 10.011 0.924 1.00 1.00 H new ATOM 0 HG3 ARG A 25 1.965 9.490 1.376 1.00 1.00 H new ATOM 0 HD2 ARG A 25 2.928 7.821 2.951 1.00 1.00 H new ATOM 0 HD3 ARG A 25 4.548 8.294 2.478 1.00 1.00 H new ATOM 0 HE ARG A 25 4.415 10.180 3.796 1.00 1.00 H new ATOM 0 HH11 ARG A 25 1.133 8.821 3.647 1.00 1.00 H new ATOM 0 HH12 ARG A 25 0.527 9.953 4.860 1.00 1.00 H new ATOM 0 HH21 ARG A 25 3.639 11.595 5.256 1.00 1.00 H new ATOM 0 HH22 ARG A 25 1.951 11.529 5.773 1.00 1.00 H new ATOM 365 N TRP A 26 3.994 5.322 -0.593 1.00 1.00 N ATOM 366 CA TRP A 26 4.016 4.037 -1.269 1.00 1.00 C ATOM 367 C TRP A 26 2.582 3.556 -1.435 1.00 1.00 C ATOM 368 O TRP A 26 1.761 3.813 -0.562 1.00 1.00 O ATOM 369 CB TRP A 26 4.896 3.091 -0.446 1.00 1.00 C ATOM 370 CG TRP A 26 6.358 3.325 -0.645 1.00 1.00 C ATOM 371 CD1 TRP A 26 7.111 4.291 -0.070 1.00 1.00 C ATOM 372 CD2 TRP A 26 7.235 2.630 -1.565 1.00 1.00 C ATOM 373 NE1 TRP A 26 8.396 4.234 -0.575 1.00 1.00 N ATOM 374 CE2 TRP A 26 8.520 3.245 -1.530 1.00 1.00 C ATOM 375 CE3 TRP A 26 7.050 1.548 -2.442 1.00 1.00 C ATOM 376 CZ2 TRP A 26 9.573 2.801 -2.344 1.00 1.00 C ATOM 377 CZ3 TRP A 26 8.061 1.173 -3.338 1.00 1.00 C ATOM 378 CH2 TRP A 26 9.332 1.757 -3.255 1.00 1.00 C ATOM 0 H TRP A 26 3.490 5.298 0.293 1.00 1.00 H new ATOM 0 HA TRP A 26 4.445 4.092 -2.270 1.00 1.00 H new ATOM 0 HB2 TRP A 26 4.656 3.209 0.611 1.00 1.00 H new ATOM 0 HB3 TRP A 26 4.660 2.061 -0.713 1.00 1.00 H new ATOM 0 HD1 TRP A 26 6.762 4.997 0.669 1.00 1.00 H new ATOM 0 HE1 TRP A 26 9.157 4.846 -0.279 1.00 1.00 H new ATOM 0 HE3 TRP A 26 6.120 1.000 -2.426 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 10.551 3.253 -2.272 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 7.859 0.430 -4.096 1.00 1.00 H new ATOM 0 HH2 TRP A 26 10.129 1.404 -3.893 1.00 1.00 H new ATOM 389 N ALA A 27 2.266 2.885 -2.542 1.00 1.00 N ATOM 390 CA ALA A 27 0.952 2.298 -2.770 1.00 1.00 C ATOM 391 C ALA A 27 1.124 0.946 -3.445 1.00 1.00 C ATOM 392 O ALA A 27 1.989 0.793 -4.318 1.00 1.00 O ATOM 393 CB ALA A 27 0.080 3.217 -3.633 1.00 1.00 C ATOM 0 H ALA A 27 2.921 2.734 -3.309 1.00 1.00 H new ATOM 0 HA ALA A 27 0.449 2.170 -1.811 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -0.895 2.754 -3.787 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -0.049 4.175 -3.129 1.00 1.00 H new ATOM 0 HB3 ALA A 27 0.563 3.376 -4.597 1.00 1.00 H new ATOM 399 N TYR A 28 0.299 -0.022 -3.053 1.00 1.00 N ATOM 400 CA TYR A 28 0.261 -1.336 -3.671 1.00 1.00 C ATOM 401 C TYR A 28 -0.485 -1.241 -4.991 1.00 1.00 C ATOM 402 O TYR A 28 -1.409 -0.447 -5.151 1.00 1.00 O ATOM 403 CB TYR A 28 -0.435 -2.345 -2.755 1.00 1.00 C ATOM 404 CG TYR A 28 -0.378 -3.795 -3.228 1.00 1.00 C ATOM 405 CD1 TYR A 28 -1.383 -4.307 -4.070 1.00 1.00 C ATOM 406 CD2 TYR A 28 0.652 -4.656 -2.797 1.00 1.00 C ATOM 407 CE1 TYR A 28 -1.359 -5.648 -4.490 1.00 1.00 C ATOM 408 CE2 TYR A 28 0.708 -5.988 -3.243 1.00 1.00 C ATOM 409 CZ TYR A 28 -0.297 -6.491 -4.097 1.00 1.00 C ATOM 410 OH TYR A 28 -0.247 -7.780 -4.535 1.00 1.00 O ATOM 0 H TYR A 28 -0.367 0.090 -2.289 1.00 1.00 H new ATOM 0 HA TYR A 28 1.282 -1.678 -3.843 1.00 1.00 H new ATOM 0 HB2 TYR A 28 0.016 -2.284 -1.764 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -1.480 -2.055 -2.648 1.00 1.00 H new ATOM 0 HD1 TYR A 28 -2.184 -3.660 -4.398 1.00 1.00 H new ATOM 0 HD2 TYR A 28 1.406 -4.288 -2.117 1.00 1.00 H new ATOM 0 HE1 TYR A 28 -2.153 -6.033 -5.113 1.00 1.00 H new ATOM 0 HE2 TYR A 28 1.521 -6.627 -2.932 1.00 1.00 H new ATOM 0 HH TYR A 28 0.646 -7.970 -4.891 1.00 1.00 H new ATOM 420 N SER A 29 0.026 -1.901 -6.017 1.00 1.00 N ATOM 421 CA SER A 29 -0.633 -2.028 -7.297 1.00 1.00 C ATOM 422 C SER A 29 -0.916 -3.508 -7.537 1.00 1.00 C ATOM 423 O SER A 29 0.050 -4.245 -7.746 1.00 1.00 O ATOM 424 CB SER A 29 0.238 -1.311 -8.310 1.00 1.00 C ATOM 425 OG SER A 29 -0.009 0.060 -8.056 1.00 1.00 O ATOM 0 H SER A 29 0.930 -2.372 -5.978 1.00 1.00 H new ATOM 0 HA SER A 29 -1.612 -1.554 -7.367 1.00 1.00 H new ATOM 0 HB2 SER A 29 1.291 -1.559 -8.179 1.00 1.00 H new ATOM 0 HB3 SER A 29 -0.029 -1.583 -9.331 1.00 1.00 H new ATOM 0 HG SER A 29 -0.374 0.481 -8.862 1.00 1.00 H new ATOM 431 N PRO A 30 -2.185 -3.957 -7.577 1.00 1.00 N ATOM 432 CA PRO A 30 -2.502 -5.349 -7.873 1.00 1.00 C ATOM 433 C PRO A 30 -2.166 -5.685 -9.324 1.00 1.00 C ATOM 434 O PRO A 30 -1.696 -6.783 -9.597 1.00 1.00 O ATOM 435 CB PRO A 30 -3.994 -5.508 -7.575 1.00 1.00 C ATOM 436 CG PRO A 30 -4.550 -4.100 -7.770 1.00 1.00 C ATOM 437 CD PRO A 30 -3.405 -3.198 -7.323 1.00 1.00 C ATOM 0 HA PRO A 30 -1.914 -6.039 -7.268 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -4.464 -6.222 -8.251 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -4.164 -5.870 -6.561 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -4.823 -3.917 -8.809 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -5.446 -3.936 -7.172 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -3.406 -2.260 -7.878 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -3.496 -2.944 -6.267 1.00 1.00 H new ATOM 445 N LEU A 31 -2.323 -4.724 -10.242 1.00 1.00 N ATOM 446 CA LEU A 31 -1.933 -4.860 -11.644 1.00 1.00 C ATOM 447 C LEU A 31 -0.420 -5.021 -11.815 1.00 1.00 C ATOM 448 O LEU A 31 0.026 -5.501 -12.850 1.00 1.00 O ATOM 449 CB LEU A 31 -2.445 -3.662 -12.449 1.00 1.00 C ATOM 450 CG LEU A 31 -3.933 -3.821 -12.804 1.00 1.00 C ATOM 451 CD1 LEU A 31 -4.471 -2.469 -13.256 1.00 1.00 C ATOM 452 CD2 LEU A 31 -4.175 -4.849 -13.919 1.00 1.00 C ATOM 0 H LEU A 31 -2.732 -3.815 -10.024 1.00 1.00 H new ATOM 0 HA LEU A 31 -2.391 -5.772 -12.025 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -2.302 -2.747 -11.874 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -1.860 -3.559 -13.363 1.00 1.00 H new ATOM 0 HG LEU A 31 -4.447 -4.182 -11.913 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.526 -2.564 -13.512 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.357 -1.744 -12.450 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.915 -2.130 -14.130 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -5.243 -4.917 -14.125 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -3.650 -4.537 -14.822 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -3.804 -5.824 -13.602 1.00 1.00 H new ATOM 464 N LEU A 32 0.368 -4.616 -10.815 1.00 1.00 N ATOM 465 CA LEU A 32 1.815 -4.813 -10.760 1.00 1.00 C ATOM 466 C LEU A 32 2.166 -5.932 -9.777 1.00 1.00 C ATOM 467 O LEU A 32 3.335 -6.277 -9.627 1.00 1.00 O ATOM 468 CB LEU A 32 2.457 -3.501 -10.301 1.00 1.00 C ATOM 469 CG LEU A 32 2.606 -2.467 -11.434 1.00 1.00 C ATOM 470 CD1 LEU A 32 2.949 -1.089 -10.853 1.00 1.00 C ATOM 471 CD2 LEU A 32 3.706 -2.863 -12.429 1.00 1.00 C ATOM 0 H LEU A 32 0.003 -4.127 -9.997 1.00 1.00 H new ATOM 0 HA LEU A 32 2.187 -5.097 -11.745 1.00 1.00 H new ATOM 0 HB2 LEU A 32 1.854 -3.070 -9.502 1.00 1.00 H new ATOM 0 HB3 LEU A 32 3.440 -3.713 -9.880 1.00 1.00 H new ATOM 0 HG LEU A 32 1.652 -2.432 -11.961 1.00 1.00 H new ATOM 0 HD11 LEU A 32 3.052 -0.368 -11.664 1.00 1.00 H new ATOM 0 HD12 LEU A 32 2.153 -0.769 -10.181 1.00 1.00 H new ATOM 0 HD13 LEU A 32 3.887 -1.150 -10.301 1.00 1.00 H new ATOM 0 HD21 LEU A 32 3.778 -2.108 -13.211 1.00 1.00 H new ATOM 0 HD22 LEU A 32 4.660 -2.937 -11.907 1.00 1.00 H new ATOM 0 HD23 LEU A 32 3.462 -3.827 -12.876 1.00 1.00 H new ATOM 483 N GLN A 33 1.160 -6.475 -9.086 1.00 1.00 N ATOM 484 CA GLN A 33 1.225 -7.447 -8.025 1.00 1.00 C ATOM 485 C GLN A 33 2.131 -6.973 -6.872 1.00 1.00 C ATOM 486 O GLN A 33 2.535 -7.794 -6.047 1.00 1.00 O ATOM 487 CB GLN A 33 1.578 -8.800 -8.681 1.00 1.00 C ATOM 488 CG GLN A 33 1.352 -10.003 -7.760 1.00 1.00 C ATOM 489 CD GLN A 33 2.650 -10.770 -7.463 1.00 1.00 C ATOM 490 OE1 GLN A 33 2.754 -11.977 -7.673 1.00 1.00 O ATOM 491 NE2 GLN A 33 3.689 -10.099 -6.994 1.00 1.00 N ATOM 0 H GLN A 33 0.195 -6.211 -9.285 1.00 1.00 H new ATOM 0 HA GLN A 33 0.271 -7.579 -7.514 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.978 -8.925 -9.583 1.00 1.00 H new ATOM 0 HB3 GLN A 33 2.622 -8.782 -8.993 1.00 1.00 H new ATOM 0 HG2 GLN A 33 0.913 -9.661 -6.823 1.00 1.00 H new ATOM 0 HG3 GLN A 33 0.632 -10.679 -8.221 1.00 1.00 H new ATOM 0 HE21 GLN A 33 3.612 -9.097 -6.817 1.00 1.00 H new ATOM 0 HE22 GLN A 33 4.568 -10.583 -6.809 1.00 1.00 H new ATOM 500 N GLN A 34 2.466 -5.679 -6.772 1.00 1.00 N ATOM 501 CA GLN A 34 3.432 -5.216 -5.779 1.00 1.00 C ATOM 502 C GLN A 34 3.342 -3.695 -5.610 1.00 1.00 C ATOM 503 O GLN A 34 2.650 -3.009 -6.367 1.00 1.00 O ATOM 504 CB GLN A 34 4.842 -5.637 -6.253 1.00 1.00 C ATOM 505 CG GLN A 34 5.873 -5.696 -5.122 1.00 1.00 C ATOM 506 CD GLN A 34 7.176 -6.341 -5.589 1.00 1.00 C ATOM 507 OE1 GLN A 34 7.883 -5.799 -6.436 1.00 1.00 O ATOM 508 NE2 GLN A 34 7.586 -7.441 -4.985 1.00 1.00 N ATOM 0 H GLN A 34 2.083 -4.943 -7.364 1.00 1.00 H new ATOM 0 HA GLN A 34 3.219 -5.663 -4.808 1.00 1.00 H new ATOM 0 HB2 GLN A 34 4.780 -6.616 -6.729 1.00 1.00 H new ATOM 0 HB3 GLN A 34 5.187 -4.935 -7.012 1.00 1.00 H new ATOM 0 HG2 GLN A 34 6.074 -4.688 -4.758 1.00 1.00 H new ATOM 0 HG3 GLN A 34 5.465 -6.262 -4.285 1.00 1.00 H new ATOM 0 HE21 GLN A 34 6.996 -7.887 -4.283 1.00 1.00 H new ATOM 0 HE22 GLN A 34 8.493 -7.844 -5.221 1.00 1.00 H new ATOM 517 N CYS A 35 4.055 -3.157 -4.619 1.00 1.00 N ATOM 518 CA CYS A 35 4.055 -1.742 -4.293 1.00 1.00 C ATOM 519 C CYS A 35 5.079 -0.931 -5.066 1.00 1.00 C ATOM 520 O CYS A 35 6.195 -1.387 -5.338 1.00 1.00 O ATOM 521 CB CYS A 35 4.318 -1.550 -2.804 1.00 1.00 C ATOM 522 SG CYS A 35 3.026 -2.231 -1.758 1.00 1.00 S ATOM 0 H CYS A 35 4.659 -3.710 -4.012 1.00 1.00 H new ATOM 0 HA CYS A 35 3.068 -1.376 -4.576 1.00 1.00 H new ATOM 0 HB2 CYS A 35 5.268 -2.019 -2.547 1.00 1.00 H new ATOM 0 HB3 CYS A 35 4.421 -0.485 -2.595 1.00 1.00 H new ATOM 527 N HIS A 36 4.721 0.328 -5.311 1.00 1.00 N ATOM 528 CA HIS A 36 5.581 1.341 -5.927 1.00 1.00 C ATOM 529 C HIS A 36 5.492 2.656 -5.136 1.00 1.00 C ATOM 530 O HIS A 36 4.471 2.876 -4.479 1.00 1.00 O ATOM 531 CB HIS A 36 5.181 1.533 -7.403 1.00 1.00 C ATOM 532 CG HIS A 36 3.791 2.092 -7.607 1.00 1.00 C ATOM 533 ND1 HIS A 36 3.409 3.412 -7.422 1.00 1.00 N ATOM 534 CD2 HIS A 36 2.681 1.378 -7.965 1.00 1.00 C ATOM 535 CE1 HIS A 36 2.083 3.494 -7.633 1.00 1.00 C ATOM 536 NE2 HIS A 36 1.630 2.274 -7.980 1.00 1.00 N ATOM 0 H HIS A 36 3.794 0.685 -5.079 1.00 1.00 H new ATOM 0 HA HIS A 36 6.619 1.010 -5.901 1.00 1.00 H new ATOM 0 HB2 HIS A 36 5.901 2.200 -7.878 1.00 1.00 H new ATOM 0 HB3 HIS A 36 5.251 0.573 -7.914 1.00 1.00 H new ATOM 0 HD1 HIS A 36 4.025 4.185 -7.170 1.00 1.00 H new ATOM 0 HD2 HIS A 36 2.635 0.323 -8.191 1.00 1.00 H new ATOM 0 HE1 HIS A 36 1.483 4.387 -7.540 1.00 1.00 H new ATOM 0 HE2 HIS A 36 0.664 2.048 -8.216 1.00 1.00 H new ATOM 545 N PRO A 37 6.507 3.539 -5.195 1.00 1.00 N ATOM 546 CA PRO A 37 6.420 4.857 -4.580 1.00 1.00 C ATOM 547 C PRO A 37 5.449 5.729 -5.388 1.00 1.00 C ATOM 548 O PRO A 37 5.109 5.376 -6.524 1.00 1.00 O ATOM 549 CB PRO A 37 7.837 5.439 -4.587 1.00 1.00 C ATOM 550 CG PRO A 37 8.676 4.510 -5.470 1.00 1.00 C ATOM 551 CD PRO A 37 7.740 3.404 -5.951 1.00 1.00 C ATOM 0 HA PRO A 37 6.043 4.810 -3.558 1.00 1.00 H new ATOM 0 HB2 PRO A 37 7.838 6.456 -4.980 1.00 1.00 H new ATOM 0 HB3 PRO A 37 8.243 5.487 -3.577 1.00 1.00 H new ATOM 0 HG2 PRO A 37 9.098 5.055 -6.314 1.00 1.00 H new ATOM 0 HG3 PRO A 37 9.513 4.093 -4.909 1.00 1.00 H new ATOM 0 HD2 PRO A 37 7.550 3.496 -7.020 1.00 1.00 H new ATOM 0 HD3 PRO A 37 8.186 2.423 -5.790 1.00 1.00 H new ATOM 559 N PHE A 38 5.005 6.864 -4.850 1.00 1.00 N ATOM 560 CA PHE A 38 4.182 7.828 -5.565 1.00 1.00 C ATOM 561 C PHE A 38 4.312 9.182 -4.873 1.00 1.00 C ATOM 562 O PHE A 38 4.830 9.264 -3.757 1.00 1.00 O ATOM 563 CB PHE A 38 2.717 7.357 -5.677 1.00 1.00 C ATOM 564 CG PHE A 38 1.844 7.488 -4.441 1.00 1.00 C ATOM 565 CD1 PHE A 38 1.951 6.581 -3.369 1.00 1.00 C ATOM 566 CD2 PHE A 38 0.867 8.499 -4.390 1.00 1.00 C ATOM 567 CE1 PHE A 38 1.081 6.689 -2.269 1.00 1.00 C ATOM 568 CE2 PHE A 38 0.017 8.617 -3.281 1.00 1.00 C ATOM 569 CZ PHE A 38 0.119 7.709 -2.218 1.00 1.00 C ATOM 0 H PHE A 38 5.212 7.140 -3.890 1.00 1.00 H new ATOM 0 HA PHE A 38 4.534 7.923 -6.592 1.00 1.00 H new ATOM 0 HB2 PHE A 38 2.244 7.917 -6.484 1.00 1.00 H new ATOM 0 HB3 PHE A 38 2.722 6.309 -5.976 1.00 1.00 H new ATOM 0 HD1 PHE A 38 2.700 5.803 -3.391 1.00 1.00 H new ATOM 0 HD2 PHE A 38 0.771 9.191 -5.213 1.00 1.00 H new ATOM 0 HE1 PHE A 38 1.154 5.981 -1.457 1.00 1.00 H new ATOM 0 HE2 PHE A 38 -0.717 9.408 -3.246 1.00 1.00 H new ATOM 0 HZ PHE A 38 -0.539 7.794 -1.365 1.00 1.00 H new ATOM 579 N VAL A 39 3.871 10.239 -5.548 1.00 1.00 N ATOM 580 CA VAL A 39 3.879 11.590 -5.019 1.00 1.00 C ATOM 581 C VAL A 39 2.555 11.785 -4.289 1.00 1.00 C ATOM 582 O VAL A 39 1.495 11.508 -4.842 1.00 1.00 O ATOM 583 CB VAL A 39 4.080 12.582 -6.183 1.00 1.00 C ATOM 584 CG1 VAL A 39 3.893 14.029 -5.721 1.00 1.00 C ATOM 585 CG2 VAL A 39 5.488 12.429 -6.784 1.00 1.00 C ATOM 0 H VAL A 39 3.493 10.175 -6.493 1.00 1.00 H new ATOM 0 HA VAL A 39 4.694 11.766 -4.317 1.00 1.00 H new ATOM 0 HB VAL A 39 3.328 12.352 -6.938 1.00 1.00 H new ATOM 0 HG11 VAL A 39 4.041 14.703 -6.565 1.00 1.00 H new ATOM 0 HG12 VAL A 39 2.885 14.158 -5.327 1.00 1.00 H new ATOM 0 HG13 VAL A 39 4.619 14.259 -4.941 1.00 1.00 H new ATOM 0 HG21 VAL A 39 5.612 13.136 -7.604 1.00 1.00 H new ATOM 0 HG22 VAL A 39 6.235 12.629 -6.016 1.00 1.00 H new ATOM 0 HG23 VAL A 39 5.615 11.413 -7.159 1.00 1.00 H new ATOM 595 N TYR A 40 2.601 12.267 -3.058 1.00 1.00 N ATOM 596 CA TYR A 40 1.450 12.599 -2.240 1.00 1.00 C ATOM 597 C TYR A 40 1.703 13.991 -1.646 1.00 1.00 C ATOM 598 O TYR A 40 2.804 14.517 -1.795 1.00 1.00 O ATOM 599 CB TYR A 40 1.283 11.455 -1.235 1.00 1.00 C ATOM 600 CG TYR A 40 0.380 11.725 -0.064 1.00 1.00 C ATOM 601 CD1 TYR A 40 -1.016 11.777 -0.220 1.00 1.00 C ATOM 602 CD2 TYR A 40 0.960 11.939 1.195 1.00 1.00 C ATOM 603 CE1 TYR A 40 -1.828 12.035 0.895 1.00 1.00 C ATOM 604 CE2 TYR A 40 0.156 12.169 2.315 1.00 1.00 C ATOM 605 CZ TYR A 40 -1.249 12.222 2.170 1.00 1.00 C ATOM 606 OH TYR A 40 -2.024 12.482 3.249 1.00 1.00 O ATOM 0 H TYR A 40 3.485 12.445 -2.581 1.00 1.00 H new ATOM 0 HA TYR A 40 0.503 12.675 -2.774 1.00 1.00 H new ATOM 0 HB2 TYR A 40 0.901 10.584 -1.768 1.00 1.00 H new ATOM 0 HB3 TYR A 40 2.268 11.188 -0.853 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -1.461 11.619 -1.192 1.00 1.00 H new ATOM 0 HD2 TYR A 40 2.035 11.926 1.300 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -2.900 12.091 0.778 1.00 1.00 H new ATOM 0 HE2 TYR A 40 0.606 12.306 3.287 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.750 13.088 2.992 1.00 1.00 H new ATOM 616 N GLY A 41 0.712 14.622 -1.011 1.00 1.00 N ATOM 617 CA GLY A 41 0.842 16.001 -0.544 1.00 1.00 C ATOM 618 C GLY A 41 0.585 16.256 0.937 1.00 1.00 C ATOM 619 O GLY A 41 0.711 17.399 1.366 1.00 1.00 O ATOM 0 H GLY A 41 -0.192 14.196 -0.809 1.00 1.00 H new ATOM 0 HA2 GLY A 41 1.850 16.344 -0.777 1.00 1.00 H new ATOM 0 HA3 GLY A 41 0.153 16.620 -1.119 1.00 1.00 H new ATOM 623 N GLY A 42 0.197 15.253 1.725 1.00 1.00 N ATOM 624 CA GLY A 42 -0.191 15.430 3.129 1.00 1.00 C ATOM 625 C GLY A 42 -1.690 15.693 3.276 1.00 1.00 C ATOM 626 O GLY A 42 -2.279 15.331 4.291 1.00 1.00 O ATOM 0 H GLY A 42 0.142 14.286 1.406 1.00 1.00 H new ATOM 0 HA2 GLY A 42 0.079 14.539 3.696 1.00 1.00 H new ATOM 0 HA3 GLY A 42 0.368 16.262 3.558 1.00 1.00 H new ATOM 630 N CYS A 43 -2.297 16.316 2.268 1.00 1.00 N ATOM 631 CA CYS A 43 -3.729 16.544 2.130 1.00 1.00 C ATOM 632 C CYS A 43 -4.432 15.221 1.772 1.00 1.00 C ATOM 633 O CYS A 43 -3.833 14.145 1.840 1.00 1.00 O ATOM 634 CB CYS A 43 -3.977 17.652 1.097 1.00 1.00 C ATOM 635 SG CYS A 43 -2.895 17.619 -0.348 1.00 1.00 S ATOM 0 H CYS A 43 -1.770 16.696 1.482 1.00 1.00 H new ATOM 0 HA CYS A 43 -4.154 16.886 3.074 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -5.011 17.584 0.758 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -3.866 18.617 1.591 1.00 1.00 H new ATOM 640 N GLU A 44 -5.727 15.312 1.478 1.00 1.00 N ATOM 641 CA GLU A 44 -6.639 14.255 1.054 1.00 1.00 C ATOM 642 C GLU A 44 -5.959 13.191 0.182 1.00 1.00 C ATOM 643 O GLU A 44 -5.265 13.498 -0.789 1.00 1.00 O ATOM 644 CB GLU A 44 -7.811 14.860 0.264 1.00 1.00 C ATOM 645 CG GLU A 44 -8.596 15.926 1.039 1.00 1.00 C ATOM 646 CD GLU A 44 -7.981 17.316 0.846 1.00 1.00 C ATOM 647 OE1 GLU A 44 -8.236 17.931 -0.209 1.00 1.00 O ATOM 648 OE2 GLU A 44 -7.160 17.707 1.708 1.00 1.00 O ATOM 0 H GLU A 44 -6.207 16.210 1.536 1.00 1.00 H new ATOM 0 HA GLU A 44 -6.990 13.767 1.963 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -7.427 15.302 -0.656 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -8.492 14.060 -0.027 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -9.633 15.934 0.703 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -8.607 15.674 2.099 1.00 1.00 H new ATOM 655 N GLY A 45 -6.217 11.923 0.483 1.00 1.00 N ATOM 656 CA GLY A 45 -5.771 10.783 -0.293 1.00 1.00 C ATOM 657 C GLY A 45 -6.550 9.557 0.168 1.00 1.00 C ATOM 658 O GLY A 45 -7.324 9.646 1.124 1.00 1.00 O ATOM 0 H GLY A 45 -6.762 11.657 1.303 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -5.935 10.960 -1.356 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -4.701 10.626 -0.157 1.00 1.00 H new ATOM 662 N ASN A 46 -6.342 8.414 -0.489 1.00 1.00 N ATOM 663 CA ASN A 46 -7.057 7.191 -0.121 1.00 1.00 C ATOM 664 C ASN A 46 -6.195 6.401 0.859 1.00 1.00 C ATOM 665 O ASN A 46 -5.046 6.748 1.129 1.00 1.00 O ATOM 666 CB ASN A 46 -7.408 6.290 -1.323 1.00 1.00 C ATOM 667 CG ASN A 46 -8.094 6.995 -2.488 1.00 1.00 C ATOM 668 OD1 ASN A 46 -8.666 8.064 -2.344 1.00 1.00 O ATOM 669 ND2 ASN A 46 -8.065 6.418 -3.674 1.00 1.00 N ATOM 0 H ASN A 46 -5.693 8.310 -1.269 1.00 1.00 H new ATOM 0 HA ASN A 46 -8.004 7.496 0.324 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -6.491 5.827 -1.689 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -8.055 5.485 -0.975 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -8.520 6.865 -4.470 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -7.587 5.525 -3.795 1.00 1.00 H new ATOM 676 N GLY A 47 -6.739 5.280 1.326 1.00 1.00 N ATOM 677 CA GLY A 47 -6.108 4.438 2.338 1.00 1.00 C ATOM 678 C GLY A 47 -4.899 3.674 1.803 1.00 1.00 C ATOM 679 O GLY A 47 -4.103 3.175 2.590 1.00 1.00 O ATOM 0 H GLY A 47 -7.642 4.927 1.008 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -5.797 5.059 3.178 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -6.841 3.727 2.721 1.00 1.00 H new ATOM 683 N ASN A 48 -4.741 3.581 0.476 1.00 1.00 N ATOM 684 CA ASN A 48 -3.570 2.980 -0.149 1.00 1.00 C ATOM 685 C ASN A 48 -2.433 3.996 -0.118 1.00 1.00 C ATOM 686 O ASN A 48 -2.094 4.609 -1.135 1.00 1.00 O ATOM 687 CB ASN A 48 -3.895 2.519 -1.572 1.00 1.00 C ATOM 688 CG ASN A 48 -2.810 1.602 -2.143 1.00 1.00 C ATOM 689 OD1 ASN A 48 -1.789 1.316 -1.528 1.00 1.00 O ATOM 690 ND2 ASN A 48 -3.019 1.073 -3.329 1.00 1.00 N ATOM 0 H ASN A 48 -5.430 3.925 -0.193 1.00 1.00 H new ATOM 0 HA ASN A 48 -3.261 2.091 0.400 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -4.850 1.994 -1.573 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -4.009 3.390 -2.217 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -2.335 0.431 -3.729 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -3.866 1.305 -3.849 1.00 1.00 H new ATOM 697 N ASN A 49 -1.917 4.247 1.081 1.00 1.00 N ATOM 698 CA ASN A 49 -0.879 5.221 1.339 1.00 1.00 C ATOM 699 C ASN A 49 -0.012 4.627 2.441 1.00 1.00 C ATOM 700 O ASN A 49 -0.438 4.505 3.588 1.00 1.00 O ATOM 701 CB ASN A 49 -1.555 6.535 1.768 1.00 1.00 C ATOM 702 CG ASN A 49 -0.581 7.697 1.883 1.00 1.00 C ATOM 703 OD1 ASN A 49 0.466 7.608 2.514 1.00 1.00 O ATOM 704 ND2 ASN A 49 -0.913 8.832 1.290 1.00 1.00 N ATOM 0 H ASN A 49 -2.224 3.759 1.922 1.00 1.00 H new ATOM 0 HA ASN A 49 -0.259 5.442 0.470 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -2.331 6.790 1.047 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -2.049 6.386 2.728 1.00 1.00 H new ATOM 0 HD21 ASN A 49 -0.296 9.641 1.356 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -1.786 8.898 0.767 1.00 1.00 H new ATOM 711 N PHE A 50 1.228 4.303 2.093 1.00 1.00 N ATOM 712 CA PHE A 50 2.180 3.612 2.939 1.00 1.00 C ATOM 713 C PHE A 50 3.389 4.498 3.136 1.00 1.00 C ATOM 714 O PHE A 50 3.665 5.416 2.358 1.00 1.00 O ATOM 715 CB PHE A 50 2.510 2.232 2.348 1.00 1.00 C ATOM 716 CG PHE A 50 1.301 1.322 2.454 1.00 1.00 C ATOM 717 CD1 PHE A 50 0.983 0.740 3.695 1.00 1.00 C ATOM 718 CD2 PHE A 50 0.413 1.176 1.371 1.00 1.00 C ATOM 719 CE1 PHE A 50 -0.230 0.051 3.860 1.00 1.00 C ATOM 720 CE2 PHE A 50 -0.781 0.450 1.529 1.00 1.00 C ATOM 721 CZ PHE A 50 -1.111 -0.101 2.777 1.00 1.00 C ATOM 0 H PHE A 50 1.609 4.526 1.173 1.00 1.00 H new ATOM 0 HA PHE A 50 1.759 3.418 3.926 1.00 1.00 H new ATOM 0 HB2 PHE A 50 2.808 2.335 1.305 1.00 1.00 H new ATOM 0 HB3 PHE A 50 3.355 1.792 2.878 1.00 1.00 H new ATOM 0 HD1 PHE A 50 1.673 0.823 4.522 1.00 1.00 H new ATOM 0 HD2 PHE A 50 0.649 1.623 0.417 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -0.486 -0.364 4.824 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -1.445 0.316 0.688 1.00 1.00 H new ATOM 0 HZ PHE A 50 -2.038 -0.640 2.904 1.00 1.00 H new ATOM 731 N HIS A 51 4.155 4.165 4.165 1.00 1.00 N ATOM 732 CA HIS A 51 5.282 4.965 4.613 1.00 1.00 C ATOM 733 C HIS A 51 6.586 4.512 3.986 1.00 1.00 C ATOM 734 O HIS A 51 7.575 5.235 4.026 1.00 1.00 O ATOM 735 CB HIS A 51 5.446 4.751 6.124 1.00 1.00 C ATOM 736 CG HIS A 51 4.153 4.781 6.905 1.00 1.00 C ATOM 737 ND1 HIS A 51 3.474 5.897 7.357 1.00 1.00 N ATOM 738 CD2 HIS A 51 3.408 3.674 7.202 1.00 1.00 C ATOM 739 CE1 HIS A 51 2.325 5.463 7.922 1.00 1.00 C ATOM 740 NE2 HIS A 51 2.265 4.115 7.839 1.00 1.00 N ATOM 0 H HIS A 51 4.008 3.321 4.718 1.00 1.00 H new ATOM 0 HA HIS A 51 5.082 6.001 4.338 1.00 1.00 H new ATOM 0 HB2 HIS A 51 5.935 3.791 6.291 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.111 5.520 6.517 1.00 1.00 H new ATOM 0 HD2 HIS A 51 3.665 2.649 6.980 1.00 1.00 H new ATOM 0 HE1 HIS A 51 1.572 6.095 8.370 1.00 1.00 H new ATOM 0 HE2 HIS A 51 1.508 3.527 8.186 1.00 1.00 H new ATOM 749 N SER A 52 6.576 3.332 3.388 1.00 1.00 N ATOM 750 CA SER A 52 7.772 2.702 2.876 1.00 1.00 C ATOM 751 C SER A 52 7.380 1.549 1.966 1.00 1.00 C ATOM 752 O SER A 52 6.214 1.152 1.893 1.00 1.00 O ATOM 753 CB SER A 52 8.562 2.171 4.097 1.00 1.00 C ATOM 754 OG SER A 52 7.649 1.637 5.042 1.00 1.00 O ATOM 0 H SER A 52 5.728 2.783 3.245 1.00 1.00 H new ATOM 0 HA SER A 52 8.378 3.403 2.302 1.00 1.00 H new ATOM 0 HB2 SER A 52 9.270 1.404 3.783 1.00 1.00 H new ATOM 0 HB3 SER A 52 9.143 2.975 4.548 1.00 1.00 H new ATOM 0 HG SER A 52 8.143 1.282 5.810 1.00 1.00 H new ATOM 760 N ARG A 53 8.380 1.005 1.276 1.00 1.00 N ATOM 761 CA ARG A 53 8.219 -0.192 0.463 1.00 1.00 C ATOM 762 C ARG A 53 7.830 -1.350 1.380 1.00 1.00 C ATOM 763 O ARG A 53 6.898 -2.080 1.068 1.00 1.00 O ATOM 764 CB ARG A 53 9.522 -0.447 -0.291 1.00 1.00 C ATOM 765 CG ARG A 53 9.480 -1.736 -1.105 1.00 1.00 C ATOM 766 CD ARG A 53 8.394 -1.833 -2.183 1.00 1.00 C ATOM 767 NE ARG A 53 8.331 -3.225 -2.629 1.00 1.00 N ATOM 768 CZ ARG A 53 8.636 -3.748 -3.815 1.00 1.00 C ATOM 769 NH1 ARG A 53 8.432 -3.096 -4.957 1.00 1.00 N ATOM 770 NH2 ARG A 53 9.129 -4.974 -3.835 1.00 1.00 N ATOM 0 H ARG A 53 9.326 1.385 1.267 1.00 1.00 H new ATOM 0 HA ARG A 53 7.428 -0.077 -0.278 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.724 0.393 -0.956 1.00 1.00 H new ATOM 0 HB3 ARG A 53 10.347 -0.496 0.420 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.450 -1.867 -1.586 1.00 1.00 H new ATOM 0 HG3 ARG A 53 9.351 -2.570 -0.415 1.00 1.00 H new ATOM 0 HD2 ARG A 53 7.430 -1.515 -1.784 1.00 1.00 H new ATOM 0 HD3 ARG A 53 8.626 -1.174 -3.020 1.00 1.00 H new ATOM 0 HE ARG A 53 8.006 -3.892 -1.929 1.00 1.00 H new ATOM 0 HH11 ARG A 53 8.028 -2.160 -4.944 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.680 -3.533 -5.845 1.00 1.00 H new ATOM 0 HH21 ARG A 53 9.263 -5.484 -2.962 1.00 1.00 H new ATOM 0 HH22 ARG A 53 9.375 -5.410 -4.724 1.00 1.00 H new ATOM 784 N GLU A 54 8.557 -1.456 2.490 1.00 1.00 N ATOM 785 CA GLU A 54 8.398 -2.384 3.598 1.00 1.00 C ATOM 786 C GLU A 54 6.959 -2.401 4.096 1.00 1.00 C ATOM 787 O GLU A 54 6.264 -3.365 3.811 1.00 1.00 O ATOM 788 CB GLU A 54 9.410 -1.880 4.643 1.00 1.00 C ATOM 789 CG GLU A 54 9.243 -2.248 6.127 1.00 1.00 C ATOM 790 CD GLU A 54 9.229 -0.940 6.926 1.00 1.00 C ATOM 791 OE1 GLU A 54 8.288 -0.143 6.684 1.00 1.00 O ATOM 792 OE2 GLU A 54 10.225 -0.644 7.610 1.00 1.00 O ATOM 0 H GLU A 54 9.348 -0.832 2.647 1.00 1.00 H new ATOM 0 HA GLU A 54 8.592 -3.423 3.333 1.00 1.00 H new ATOM 0 HB2 GLU A 54 10.395 -2.230 4.333 1.00 1.00 H new ATOM 0 HB3 GLU A 54 9.424 -0.792 4.580 1.00 1.00 H new ATOM 0 HG2 GLU A 54 8.318 -2.803 6.283 1.00 1.00 H new ATOM 0 HG3 GLU A 54 10.059 -2.890 6.457 1.00 1.00 H new ATOM 799 N SER A 55 6.474 -1.304 4.682 1.00 1.00 N ATOM 800 CA SER A 55 5.119 -1.247 5.251 1.00 1.00 C ATOM 801 C SER A 55 4.024 -1.640 4.250 1.00 1.00 C ATOM 802 O SER A 55 2.965 -2.128 4.626 1.00 1.00 O ATOM 803 CB SER A 55 4.827 0.085 5.960 1.00 1.00 C ATOM 804 OG SER A 55 5.025 1.245 5.158 1.00 1.00 O ATOM 0 H SER A 55 7.001 -0.436 4.777 1.00 1.00 H new ATOM 0 HA SER A 55 5.095 -2.014 6.026 1.00 1.00 H new ATOM 0 HB2 SER A 55 3.795 0.075 6.311 1.00 1.00 H new ATOM 0 HB3 SER A 55 5.463 0.158 6.842 1.00 1.00 H new ATOM 0 HG SER A 55 5.968 1.307 4.900 1.00 1.00 H new ATOM 810 N CYS A 56 4.229 -1.326 2.974 1.00 1.00 N ATOM 811 CA CYS A 56 3.286 -1.626 1.916 1.00 1.00 C ATOM 812 C CYS A 56 3.240 -3.110 1.569 1.00 1.00 C ATOM 813 O CYS A 56 2.158 -3.685 1.429 1.00 1.00 O ATOM 814 CB CYS A 56 3.746 -0.812 0.708 1.00 1.00 C ATOM 815 SG CYS A 56 2.540 -0.637 -0.612 1.00 1.00 S ATOM 0 H CYS A 56 5.069 -0.849 2.647 1.00 1.00 H new ATOM 0 HA CYS A 56 2.275 -1.370 2.232 1.00 1.00 H new ATOM 0 HB2 CYS A 56 4.031 0.183 1.050 1.00 1.00 H new ATOM 0 HB3 CYS A 56 4.642 -1.278 0.298 1.00 1.00 H new ATOM 820 N GLU A 57 4.409 -3.712 1.357 1.00 1.00 N ATOM 821 CA GLU A 57 4.473 -5.156 1.148 1.00 1.00 C ATOM 822 C GLU A 57 4.014 -5.884 2.409 1.00 1.00 C ATOM 823 O GLU A 57 3.402 -6.935 2.286 1.00 1.00 O ATOM 824 CB GLU A 57 5.844 -5.630 0.643 1.00 1.00 C ATOM 825 CG GLU A 57 5.969 -5.355 -0.863 1.00 1.00 C ATOM 826 CD GLU A 57 7.159 -6.069 -1.508 1.00 1.00 C ATOM 827 OE1 GLU A 57 8.307 -5.605 -1.319 1.00 1.00 O ATOM 828 OE2 GLU A 57 6.944 -6.938 -2.383 1.00 1.00 O ATOM 0 H GLU A 57 5.309 -3.233 1.326 1.00 1.00 H new ATOM 0 HA GLU A 57 3.784 -5.412 0.343 1.00 1.00 H new ATOM 0 HB2 GLU A 57 6.638 -5.115 1.183 1.00 1.00 H new ATOM 0 HB3 GLU A 57 5.965 -6.695 0.838 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.052 -5.669 -1.361 1.00 1.00 H new ATOM 0 HG3 GLU A 57 6.067 -4.281 -1.023 1.00 1.00 H new ATOM 835 N ASP A 58 4.280 -5.342 3.597 1.00 1.00 N ATOM 836 CA ASP A 58 3.779 -5.872 4.863 1.00 1.00 C ATOM 837 C ASP A 58 2.247 -5.829 4.883 1.00 1.00 C ATOM 838 O ASP A 58 1.621 -6.815 5.266 1.00 1.00 O ATOM 839 CB ASP A 58 4.383 -5.073 6.023 1.00 1.00 C ATOM 840 CG ASP A 58 3.901 -5.565 7.387 1.00 1.00 C ATOM 841 OD1 ASP A 58 4.298 -6.690 7.761 1.00 1.00 O ATOM 842 OD2 ASP A 58 3.213 -4.769 8.067 1.00 1.00 O ATOM 0 H ASP A 58 4.859 -4.509 3.708 1.00 1.00 H new ATOM 0 HA ASP A 58 4.079 -6.914 4.973 1.00 1.00 H new ATOM 0 HB2 ASP A 58 5.470 -5.141 5.979 1.00 1.00 H new ATOM 0 HB3 ASP A 58 4.125 -4.020 5.908 1.00 1.00 H new ATOM 847 N ALA A 59 1.624 -4.743 4.388 1.00 1.00 N ATOM 848 CA ALA A 59 0.167 -4.646 4.379 1.00 1.00 C ATOM 849 C ALA A 59 -0.482 -5.621 3.393 1.00 1.00 C ATOM 850 O ALA A 59 -1.502 -6.231 3.717 1.00 1.00 O ATOM 851 CB ALA A 59 -0.245 -3.210 4.063 1.00 1.00 C ATOM 0 H ALA A 59 2.106 -3.934 3.996 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.190 -4.924 5.371 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -1.333 -3.137 4.056 1.00 1.00 H new ATOM 0 HB2 ALA A 59 0.159 -2.540 4.822 1.00 1.00 H new ATOM 0 HB3 ALA A 59 0.144 -2.927 3.085 1.00 1.00 H new ATOM 857 N CYS A 60 0.078 -5.776 2.188 1.00 1.00 N ATOM 858 CA CYS A 60 -0.377 -6.753 1.206 1.00 1.00 C ATOM 859 C CYS A 60 0.758 -7.704 0.817 1.00 1.00 C ATOM 860 O CYS A 60 1.312 -7.578 -0.283 1.00 1.00 O ATOM 861 CB CYS A 60 -1.092 -6.071 0.032 1.00 1.00 C ATOM 862 SG CYS A 60 -2.824 -5.681 0.422 1.00 1.00 S ATOM 0 H CYS A 60 0.869 -5.217 1.868 1.00 1.00 H new ATOM 0 HA CYS A 60 -1.138 -7.392 1.654 1.00 1.00 H new ATOM 0 HB2 CYS A 60 -0.564 -5.154 -0.230 1.00 1.00 H new ATOM 0 HB3 CYS A 60 -1.055 -6.721 -0.842 1.00 1.00 H new ATOM 867 N PRO A 61 1.060 -8.696 1.678 1.00 1.00 N ATOM 868 CA PRO A 61 2.185 -9.598 1.491 1.00 1.00 C ATOM 869 C PRO A 61 1.895 -10.562 0.351 1.00 1.00 C ATOM 870 O PRO A 61 0.733 -10.797 -0.010 1.00 1.00 O ATOM 871 CB PRO A 61 2.391 -10.291 2.840 1.00 1.00 C ATOM 872 CG PRO A 61 0.995 -10.297 3.455 1.00 1.00 C ATOM 873 CD PRO A 61 0.367 -9.011 2.921 1.00 1.00 C ATOM 0 HA PRO A 61 3.102 -9.083 1.203 1.00 1.00 H new ATOM 0 HB2 PRO A 61 2.779 -11.302 2.717 1.00 1.00 H new ATOM 0 HB3 PRO A 61 3.102 -9.750 3.464 1.00 1.00 H new ATOM 0 HG2 PRO A 61 0.427 -11.177 3.153 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.036 -10.302 4.544 1.00 1.00 H new ATOM 0 HD2 PRO A 61 -0.701 -9.144 2.747 1.00 1.00 H new ATOM 0 HD3 PRO A 61 0.474 -8.199 3.641 1.00 1.00 H new ATOM 881 N VAL A 62 2.961 -11.147 -0.194 1.00 1.00 N ATOM 882 CA VAL A 62 2.893 -11.994 -1.372 1.00 1.00 C ATOM 883 C VAL A 62 3.564 -13.330 -1.046 1.00 1.00 C ATOM 884 O VAL A 62 4.344 -13.460 -0.104 1.00 1.00 O ATOM 885 CB VAL A 62 3.541 -11.291 -2.589 1.00 1.00 C ATOM 886 CG1 VAL A 62 3.065 -11.850 -3.939 1.00 1.00 C ATOM 887 CG2 VAL A 62 3.348 -9.759 -2.632 1.00 1.00 C ATOM 0 H VAL A 62 3.905 -11.041 0.179 1.00 1.00 H new ATOM 0 HA VAL A 62 1.855 -12.183 -1.645 1.00 1.00 H new ATOM 0 HB VAL A 62 4.599 -11.506 -2.440 1.00 1.00 H new ATOM 0 HG11 VAL A 62 3.558 -11.313 -4.749 1.00 1.00 H new ATOM 0 HG12 VAL A 62 3.313 -12.909 -4.002 1.00 1.00 H new ATOM 0 HG13 VAL A 62 1.986 -11.725 -4.025 1.00 1.00 H new ATOM 0 HG21 VAL A 62 3.836 -9.356 -3.519 1.00 1.00 H new ATOM 0 HG22 VAL A 62 2.283 -9.527 -2.666 1.00 1.00 H new ATOM 0 HG23 VAL A 62 3.788 -9.312 -1.741 1.00 1.00 H new ATOM 897 N VAL A 63 3.243 -14.325 -1.856 1.00 1.00 N ATOM 898 CA VAL A 63 3.704 -15.704 -1.792 1.00 1.00 C ATOM 899 C VAL A 63 4.275 -16.045 -3.175 1.00 1.00 C ATOM 900 O VAL A 63 4.377 -15.187 -4.061 1.00 1.00 O ATOM 901 CB VAL A 63 2.534 -16.606 -1.302 1.00 1.00 C ATOM 902 CG1 VAL A 63 2.986 -18.006 -0.838 1.00 1.00 C ATOM 903 CG2 VAL A 63 1.751 -15.991 -0.123 1.00 1.00 C ATOM 0 H VAL A 63 2.603 -14.179 -2.637 1.00 1.00 H new ATOM 0 HA VAL A 63 4.503 -15.871 -1.069 1.00 1.00 H new ATOM 0 HB VAL A 63 1.901 -16.689 -2.185 1.00 1.00 H new ATOM 0 HG11 VAL A 63 2.118 -18.579 -0.511 1.00 1.00 H new ATOM 0 HG12 VAL A 63 3.472 -18.524 -1.665 1.00 1.00 H new ATOM 0 HG13 VAL A 63 3.688 -17.906 -0.010 1.00 1.00 H new ATOM 0 HG21 VAL A 63 0.949 -16.667 0.173 1.00 1.00 H new ATOM 0 HG22 VAL A 63 2.425 -15.836 0.720 1.00 1.00 H new ATOM 0 HG23 VAL A 63 1.326 -15.035 -0.428 1.00 1.00 H new ATOM 913 N ASP A 64 4.703 -17.293 -3.347 1.00 1.00 N ATOM 914 CA ASP A 64 5.140 -17.822 -4.638 1.00 1.00 C ATOM 915 C ASP A 64 4.070 -17.486 -5.684 1.00 1.00 C ATOM 916 O ASP A 64 2.872 -17.642 -5.458 1.00 1.00 O ATOM 917 CB ASP A 64 5.383 -19.334 -4.583 1.00 1.00 C ATOM 918 CG ASP A 64 5.312 -19.894 -6.002 1.00 1.00 C ATOM 919 OD1 ASP A 64 6.150 -19.574 -6.871 1.00 1.00 O ATOM 920 OD2 ASP A 64 4.277 -20.493 -6.343 1.00 1.00 O ATOM 0 H ASP A 64 4.757 -17.972 -2.588 1.00 1.00 H new ATOM 0 HA ASP A 64 6.091 -17.362 -4.907 1.00 1.00 H new ATOM 0 HB2 ASP A 64 6.358 -19.544 -4.142 1.00 1.00 H new ATOM 0 HB3 ASP A 64 4.637 -19.814 -3.950 1.00 1.00 H new ATOM 925 N HIS A 65 4.502 -17.053 -6.862 1.00 1.00 N ATOM 926 CA HIS A 65 3.632 -16.558 -7.914 1.00 1.00 C ATOM 927 C HIS A 65 2.672 -17.587 -8.516 1.00 1.00 C ATOM 928 O HIS A 65 1.824 -17.188 -9.309 1.00 1.00 O ATOM 929 CB HIS A 65 4.490 -15.776 -8.918 1.00 1.00 C ATOM 930 CG HIS A 65 5.346 -14.762 -8.181 1.00 1.00 C ATOM 931 ND1 HIS A 65 4.853 -13.721 -7.411 1.00 1.00 N ATOM 932 CD2 HIS A 65 6.677 -14.910 -7.888 1.00 1.00 C ATOM 933 CE1 HIS A 65 5.857 -13.275 -6.633 1.00 1.00 C ATOM 934 NE2 HIS A 65 6.982 -13.961 -6.925 1.00 1.00 N ATOM 0 H HIS A 65 5.490 -17.037 -7.115 1.00 1.00 H new ATOM 0 HA HIS A 65 2.909 -15.872 -7.474 1.00 1.00 H new ATOM 0 HB2 HIS A 65 5.124 -16.461 -9.480 1.00 1.00 H new ATOM 0 HB3 HIS A 65 3.850 -15.269 -9.640 1.00 1.00 H new ATOM 0 HD1 HIS A 65 3.900 -13.358 -7.430 1.00 1.00 H new ATOM 0 HD2 HIS A 65 7.357 -15.628 -8.323 1.00 1.00 H new ATOM 0 HE1 HIS A 65 5.775 -12.493 -5.893 1.00 1.00 H new ATOM 943 N HIS A 66 2.751 -18.883 -8.182 1.00 1.00 N ATOM 944 CA HIS A 66 1.742 -19.845 -8.640 1.00 1.00 C ATOM 945 C HIS A 66 0.476 -19.708 -7.771 1.00 1.00 C ATOM 946 O HIS A 66 -0.547 -20.306 -8.096 1.00 1.00 O ATOM 947 CB HIS A 66 2.263 -21.293 -8.604 1.00 1.00 C ATOM 948 CG HIS A 66 3.561 -21.529 -9.350 1.00 1.00 C ATOM 949 ND1 HIS A 66 4.825 -21.266 -8.858 1.00 1.00 N ATOM 950 CD2 HIS A 66 3.700 -22.097 -10.588 1.00 1.00 C ATOM 951 CE1 HIS A 66 5.722 -21.665 -9.775 1.00 1.00 C ATOM 952 NE2 HIS A 66 5.062 -22.172 -10.840 1.00 1.00 N ATOM 0 H HIS A 66 3.491 -19.283 -7.606 1.00 1.00 H new ATOM 0 HA HIS A 66 1.505 -19.618 -9.679 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.402 -21.587 -7.564 1.00 1.00 H new ATOM 0 HB3 HIS A 66 1.498 -21.948 -9.021 1.00 1.00 H new ATOM 0 HD1 HIS A 66 5.040 -20.842 -7.955 1.00 1.00 H new ATOM 0 HD2 HIS A 66 2.904 -22.423 -11.241 1.00 1.00 H new ATOM 0 HE1 HIS A 66 6.795 -21.593 -9.677 1.00 1.00 H new ATOM 961 N HIS A 67 0.528 -18.949 -6.669 1.00 1.00 N ATOM 962 CA HIS A 67 -0.552 -18.669 -5.728 1.00 1.00 C ATOM 963 C HIS A 67 -1.771 -18.050 -6.416 1.00 1.00 C ATOM 964 O HIS A 67 -1.866 -16.827 -6.538 1.00 1.00 O ATOM 965 CB HIS A 67 0.015 -17.751 -4.627 1.00 1.00 C ATOM 966 CG HIS A 67 -0.925 -17.213 -3.576 1.00 1.00 C ATOM 967 ND1 HIS A 67 -0.686 -16.058 -2.850 1.00 1.00 N ATOM 968 CD2 HIS A 67 -2.121 -17.742 -3.153 1.00 1.00 C ATOM 969 CE1 HIS A 67 -1.674 -15.935 -1.962 1.00 1.00 C ATOM 970 NE2 HIS A 67 -2.585 -16.899 -2.162 1.00 1.00 N ATOM 0 H HIS A 67 1.393 -18.482 -6.396 1.00 1.00 H new ATOM 0 HA HIS A 67 -0.911 -19.600 -5.290 1.00 1.00 H new ATOM 0 HB2 HIS A 67 0.805 -18.299 -4.114 1.00 1.00 H new ATOM 0 HB3 HIS A 67 0.485 -16.899 -5.117 1.00 1.00 H new ATOM 0 HD1 HIS A 67 0.100 -15.419 -2.972 1.00 1.00 H new ATOM 0 HD2 HIS A 67 -2.601 -18.637 -3.521 1.00 1.00 H new ATOM 0 HE1 HIS A 67 -1.732 -15.174 -1.198 1.00 1.00 H new ATOM 0 HE2 HIS A 67 -3.471 -16.994 -1.666 1.00 1.00 H new ATOM 979 N HIS A 68 -2.704 -18.875 -6.896 1.00 1.00 N ATOM 980 CA HIS A 68 -3.965 -18.370 -7.432 1.00 1.00 C ATOM 981 C HIS A 68 -4.664 -17.726 -6.224 1.00 1.00 C ATOM 982 O HIS A 68 -4.622 -18.301 -5.136 1.00 1.00 O ATOM 983 CB HIS A 68 -4.794 -19.519 -8.050 1.00 1.00 C ATOM 984 CG HIS A 68 -6.187 -19.123 -8.503 1.00 1.00 C ATOM 985 ND1 HIS A 68 -6.508 -18.216 -9.504 1.00 1.00 N ATOM 986 CD2 HIS A 68 -7.349 -19.473 -7.868 1.00 1.00 C ATOM 987 CE1 HIS A 68 -7.834 -17.983 -9.426 1.00 1.00 C ATOM 988 NE2 HIS A 68 -8.366 -18.747 -8.457 1.00 1.00 N ATOM 0 H HIS A 68 -2.609 -19.890 -6.924 1.00 1.00 H new ATOM 0 HA HIS A 68 -3.828 -17.651 -8.240 1.00 1.00 H new ATOM 0 HB2 HIS A 68 -4.250 -19.923 -8.904 1.00 1.00 H new ATOM 0 HB3 HIS A 68 -4.879 -20.322 -7.318 1.00 1.00 H new ATOM 0 HD2 HIS A 68 -7.451 -20.182 -7.060 1.00 1.00 H new ATOM 0 HE1 HIS A 68 -8.383 -17.290 -10.046 1.00 1.00 H new ATOM 0 HE2 HIS A 68 -9.352 -18.784 -8.200 1.00 1.00 H new ATOM 997 N HIS A 69 -5.202 -16.517 -6.395 1.00 1.00 N ATOM 998 CA HIS A 69 -6.012 -15.830 -5.384 1.00 1.00 C ATOM 999 C HIS A 69 -7.416 -16.446 -5.499 1.00 1.00 C ATOM 1000 O HIS A 69 -7.521 -17.653 -5.712 1.00 1.00 O ATOM 1001 CB HIS A 69 -5.998 -14.310 -5.662 1.00 1.00 C ATOM 1002 CG HIS A 69 -4.649 -13.621 -5.593 1.00 1.00 C ATOM 1003 ND1 HIS A 69 -4.453 -12.246 -5.617 1.00 1.00 N ATOM 1004 CD2 HIS A 69 -3.436 -14.211 -5.348 1.00 1.00 C ATOM 1005 CE1 HIS A 69 -3.138 -12.020 -5.437 1.00 1.00 C ATOM 1006 NE2 HIS A 69 -2.503 -13.200 -5.281 1.00 1.00 N ATOM 0 H HIS A 69 -5.086 -15.978 -7.253 1.00 1.00 H new ATOM 0 HA HIS A 69 -5.634 -15.953 -4.369 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -6.417 -14.141 -6.654 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -6.665 -13.827 -4.948 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -3.248 -15.268 -5.230 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -2.666 -11.049 -5.420 1.00 1.00 H new ATOM 0 HE2 HIS A 69 -1.501 -13.323 -5.138 1.00 1.00 H new ATOM 1015 N HIS A 70 -8.488 -15.674 -5.304 1.00 1.00 N ATOM 1016 CA HIS A 70 -9.829 -16.179 -5.550 1.00 1.00 C ATOM 1017 C HIS A 70 -9.889 -16.540 -7.035 1.00 1.00 C ATOM 1018 O HIS A 70 -9.169 -15.917 -7.846 1.00 1.00 O ATOM 1019 CB HIS A 70 -10.840 -15.096 -5.176 1.00 1.00 C ATOM 1020 CG HIS A 70 -12.292 -15.431 -5.370 1.00 1.00 C ATOM 1021 ND1 HIS A 70 -12.844 -16.314 -6.282 1.00 1.00 N ATOM 1022 CD2 HIS A 70 -13.304 -14.761 -4.758 1.00 1.00 C ATOM 1023 CE1 HIS A 70 -14.186 -16.151 -6.232 1.00 1.00 C ATOM 1024 NE2 HIS A 70 -14.480 -15.213 -5.306 1.00 1.00 N ATOM 1025 OXT HIS A 70 -10.614 -17.505 -7.372 1.00 1.00 O ATOM 0 H HIS A 70 -8.449 -14.708 -4.980 1.00 1.00 H new ATOM 0 HA HIS A 70 -10.067 -17.059 -4.952 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -10.688 -14.836 -4.128 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -10.616 -14.204 -5.761 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -12.335 -16.965 -6.879 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -13.203 -14.013 -3.985 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -14.906 -16.685 -6.835 1.00 1.00 H new ATOM 0 HE2 HIS A 70 -15.416 -14.894 -5.056 1.00 1.00 H new TER 1034 HIS A 70