USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 534 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 NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 39 GLN : amide:sc= -2.71! C(o=-2.7!,f=-4.4!) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.0379 X(o=-2.7,f=-2.7) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.224 (180deg=-0.956) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0.176 (180deg=0.167) USER MOD Single : A 4 HIS : no HD1:sc= 1.11 K(o=1.1,f=-3.4!) USER MOD Single : A 7 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.3) USER MOD Single : A 9 GLN : amide:sc= -1.78! C(o=-1.8!,f=-6.7!) USER MOD Single : A 10 HIS : no HE2:sc= -0.706 X(o=-0.71,f=-0.93) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 16 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 18 HIS : no HE2:sc= 1.09 K(o=1.1,f=-6.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0916) USER MOD Single : A 38 HIS : no HD1:sc= 0.888 K(o=0.89,f=-4.1!) USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.389 F(o=-1.2!,f=-0.39) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= -0.0194 (180deg=-0.212) USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.0375 (180deg=-0.359) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 62.949 -7.847 12.222 1.00 0.00 N ATOM 2 CA MET A 1 61.486 -7.657 12.352 1.00 0.00 C ATOM 3 C MET A 1 61.141 -6.181 12.213 1.00 0.00 C ATOM 4 O MET A 1 60.281 -5.798 11.423 1.00 0.00 O ATOM 5 CB MET A 1 60.996 -8.174 13.706 1.00 0.00 C ATOM 6 CG MET A 1 59.499 -8.011 13.911 1.00 0.00 C ATOM 7 SD MET A 1 58.976 -8.399 15.593 1.00 0.00 S ATOM 8 CE MET A 1 59.865 -7.151 16.523 1.00 0.00 C ATOM 0 H1 MET A 1 63.183 -8.850 12.368 1.00 0.00 H new ATOM 0 H2 MET A 1 63.254 -7.555 11.271 1.00 0.00 H new ATOM 0 H3 MET A 1 63.439 -7.269 12.935 1.00 0.00 H new ATOM 0 HA MET A 1 60.992 -8.221 11.561 1.00 0.00 H new ATOM 0 HB2 MET A 1 61.255 -9.229 13.799 1.00 0.00 H new ATOM 0 HB3 MET A 1 61.523 -7.646 14.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 59.214 -6.986 13.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 58.969 -8.658 13.212 1.00 0.00 H new ATOM 0 HE1 MET A 1 59.354 -6.969 17.468 1.00 0.00 H new ATOM 0 HE2 MET A 1 60.880 -7.498 16.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 59.903 -6.226 15.947 1.00 0.00 H new ATOM 18 N GLU A 2 61.821 -5.363 12.997 1.00 0.00 N ATOM 19 CA GLU A 2 61.639 -3.925 12.962 1.00 0.00 C ATOM 20 C GLU A 2 62.609 -3.297 11.974 1.00 0.00 C ATOM 21 O GLU A 2 63.823 -3.302 12.189 1.00 0.00 O ATOM 22 CB GLU A 2 61.831 -3.314 14.363 1.00 0.00 C ATOM 23 CG GLU A 2 62.512 -4.231 15.378 1.00 0.00 C ATOM 24 CD GLU A 2 63.909 -4.665 14.967 1.00 0.00 C ATOM 25 OE1 GLU A 2 64.878 -3.931 15.263 1.00 0.00 O ATOM 26 OE2 GLU A 2 64.042 -5.750 14.358 1.00 0.00 O ATOM 0 H GLU A 2 62.515 -5.678 13.675 1.00 0.00 H new ATOM 0 HA GLU A 2 60.620 -3.716 12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 2 62.420 -2.401 14.268 1.00 0.00 H new ATOM 0 HB3 GLU A 2 60.855 -3.025 14.754 1.00 0.00 H new ATOM 0 HG2 GLU A 2 62.568 -3.718 16.338 1.00 0.00 H new ATOM 0 HG3 GLU A 2 61.894 -5.117 15.526 1.00 0.00 H new ATOM 33 N LEU A 3 62.076 -2.763 10.890 1.00 0.00 N ATOM 34 CA LEU A 3 62.906 -2.138 9.876 1.00 0.00 C ATOM 35 C LEU A 3 63.434 -0.815 10.395 1.00 0.00 C ATOM 36 O LEU A 3 62.672 0.036 10.845 1.00 0.00 O ATOM 37 CB LEU A 3 62.130 -1.913 8.570 1.00 0.00 C ATOM 38 CG LEU A 3 61.753 -3.179 7.785 1.00 0.00 C ATOM 39 CD1 LEU A 3 60.596 -3.917 8.447 1.00 0.00 C ATOM 40 CD2 LEU A 3 61.404 -2.822 6.347 1.00 0.00 C ATOM 0 H LEU A 3 61.076 -2.749 10.689 1.00 0.00 H new ATOM 0 HA LEU A 3 63.737 -2.809 9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 3 61.215 -1.368 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 3 62.727 -1.271 7.922 1.00 0.00 H new ATOM 0 HG LEU A 3 62.616 -3.845 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 3 60.353 -4.808 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 3 60.881 -4.208 9.458 1.00 0.00 H new ATOM 0 HD13 LEU A 3 59.725 -3.264 8.490 1.00 0.00 H new ATOM 0 HD21 LEU A 3 61.139 -3.728 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 3 60.560 -2.132 6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 3 62.263 -2.350 5.871 1.00 0.00 H new ATOM 52 N HIS A 4 64.743 -0.659 10.362 1.00 0.00 N ATOM 53 CA HIS A 4 65.377 0.564 10.824 1.00 0.00 C ATOM 54 C HIS A 4 65.369 1.580 9.690 1.00 0.00 C ATOM 55 O HIS A 4 65.340 1.188 8.525 1.00 0.00 O ATOM 56 CB HIS A 4 66.806 0.268 11.301 1.00 0.00 C ATOM 57 CG HIS A 4 66.881 -0.917 12.224 1.00 0.00 C ATOM 58 ND1 HIS A 4 67.737 -1.976 12.021 1.00 0.00 N ATOM 59 CD2 HIS A 4 66.172 -1.221 13.337 1.00 0.00 C ATOM 60 CE1 HIS A 4 67.549 -2.878 12.965 1.00 0.00 C ATOM 61 NE2 HIS A 4 66.602 -2.450 13.779 1.00 0.00 N ATOM 0 H HIS A 4 65.392 -1.367 10.019 1.00 0.00 H new ATOM 0 HA HIS A 4 64.827 0.977 11.670 1.00 0.00 H new ATOM 0 HB2 HIS A 4 67.443 0.088 10.435 1.00 0.00 H new ATOM 0 HB3 HIS A 4 67.202 1.146 11.812 1.00 0.00 H new ATOM 0 HD2 HIS A 4 65.408 -0.610 13.794 1.00 0.00 H new ATOM 0 HE1 HIS A 4 68.082 -3.813 13.057 1.00 0.00 H new ATOM 0 HE2 HIS A 4 66.249 -2.947 14.597 1.00 0.00 H new ATOM 70 N CYS A 5 65.372 2.872 10.015 1.00 0.00 N ATOM 71 CA CYS A 5 65.232 3.904 8.989 1.00 0.00 C ATOM 72 C CYS A 5 66.555 4.158 8.267 1.00 0.00 C ATOM 73 O CYS A 5 67.438 4.833 8.795 1.00 0.00 O ATOM 74 CB CYS A 5 64.661 5.204 9.585 1.00 0.00 C ATOM 75 SG CYS A 5 65.111 5.552 11.315 1.00 0.00 S ATOM 0 H CYS A 5 65.468 3.226 10.967 1.00 0.00 H new ATOM 0 HA CYS A 5 64.522 3.538 8.248 1.00 0.00 H new ATOM 0 HB2 CYS A 5 64.993 6.040 8.969 1.00 0.00 H new ATOM 0 HB3 CYS A 5 63.574 5.167 9.513 1.00 0.00 H new ATOM 80 N PRO A 6 66.689 3.648 7.025 1.00 0.00 N ATOM 81 CA PRO A 6 67.950 3.669 6.280 1.00 0.00 C ATOM 82 C PRO A 6 68.247 5.034 5.669 1.00 0.00 C ATOM 83 O PRO A 6 68.142 5.236 4.455 1.00 0.00 O ATOM 84 CB PRO A 6 67.728 2.617 5.196 1.00 0.00 C ATOM 85 CG PRO A 6 66.262 2.645 4.938 1.00 0.00 C ATOM 86 CD PRO A 6 65.605 3.030 6.239 1.00 0.00 C ATOM 0 HA PRO A 6 68.810 3.466 6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 6 68.293 2.852 4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 6 68.053 1.631 5.528 1.00 0.00 H new ATOM 0 HG2 PRO A 6 66.020 3.363 4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 6 65.909 1.671 4.599 1.00 0.00 H new ATOM 0 HD2 PRO A 6 64.783 3.727 6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 6 65.190 2.160 6.748 1.00 0.00 H new ATOM 94 N GLN A 7 68.611 5.960 6.538 1.00 0.00 N ATOM 95 CA GLN A 7 68.935 7.327 6.151 1.00 0.00 C ATOM 96 C GLN A 7 69.463 8.066 7.375 1.00 0.00 C ATOM 97 O GLN A 7 70.477 8.761 7.314 1.00 0.00 O ATOM 98 CB GLN A 7 67.692 8.027 5.573 1.00 0.00 C ATOM 99 CG GLN A 7 67.944 9.430 5.030 1.00 0.00 C ATOM 100 CD GLN A 7 67.680 10.516 6.057 1.00 0.00 C ATOM 101 OE1 GLN A 7 68.571 10.914 6.805 1.00 0.00 O ATOM 102 NE2 GLN A 7 66.458 11.019 6.085 1.00 0.00 N ATOM 0 H GLN A 7 68.692 5.786 7.540 1.00 0.00 H new ATOM 0 HA GLN A 7 69.700 7.325 5.375 1.00 0.00 H new ATOM 0 HB2 GLN A 7 67.284 7.410 4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 7 66.930 8.085 6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.977 9.502 4.689 1.00 0.00 H new ATOM 0 HG3 GLN A 7 67.309 9.597 4.160 1.00 0.00 H new ATOM 0 HE21 GLN A 7 65.745 10.663 5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 7 66.228 11.764 6.743 1.00 0.00 H new ATOM 111 N CYS A 8 68.769 7.882 8.489 1.00 0.00 N ATOM 112 CA CYS A 8 69.165 8.484 9.756 1.00 0.00 C ATOM 113 C CYS A 8 69.469 7.399 10.793 1.00 0.00 C ATOM 114 O CYS A 8 70.244 7.617 11.722 1.00 0.00 O ATOM 115 CB CYS A 8 68.046 9.401 10.252 1.00 0.00 C ATOM 116 SG CYS A 8 66.401 8.651 10.155 1.00 0.00 S ATOM 0 H CYS A 8 67.922 7.316 8.542 1.00 0.00 H new ATOM 0 HA CYS A 8 70.071 9.072 9.607 1.00 0.00 H new ATOM 0 HB2 CYS A 8 68.248 9.681 11.286 1.00 0.00 H new ATOM 0 HB3 CYS A 8 68.053 10.320 9.665 1.00 0.00 H new ATOM 121 N GLN A 9 68.848 6.232 10.594 1.00 0.00 N ATOM 122 CA GLN A 9 69.031 5.049 11.442 1.00 0.00 C ATOM 123 C GLN A 9 68.366 5.192 12.808 1.00 0.00 C ATOM 124 O GLN A 9 68.626 6.134 13.551 1.00 0.00 O ATOM 125 CB GLN A 9 70.507 4.689 11.603 1.00 0.00 C ATOM 126 CG GLN A 9 71.179 4.295 10.295 1.00 0.00 C ATOM 127 CD GLN A 9 70.635 3.004 9.705 1.00 0.00 C ATOM 128 OE1 GLN A 9 69.472 2.643 9.907 1.00 0.00 O ATOM 129 NE2 GLN A 9 71.472 2.307 8.953 1.00 0.00 N ATOM 0 H GLN A 9 68.193 6.080 9.827 1.00 0.00 H new ATOM 0 HA GLN A 9 68.532 4.231 10.922 1.00 0.00 H new ATOM 0 HB2 GLN A 9 71.036 5.540 12.033 1.00 0.00 H new ATOM 0 HB3 GLN A 9 70.597 3.866 12.312 1.00 0.00 H new ATOM 0 HG2 GLN A 9 71.050 5.100 9.571 1.00 0.00 H new ATOM 0 HG3 GLN A 9 72.250 4.186 10.463 1.00 0.00 H new ATOM 0 HE21 GLN A 9 72.426 2.639 8.810 1.00 0.00 H new ATOM 0 HE22 GLN A 9 71.163 1.438 8.517 1.00 0.00 H new ATOM 138 N HIS A 10 67.487 4.232 13.095 1.00 0.00 N ATOM 139 CA HIS A 10 66.810 4.088 14.388 1.00 0.00 C ATOM 140 C HIS A 10 65.779 2.964 14.295 1.00 0.00 C ATOM 141 O HIS A 10 66.095 1.807 14.564 1.00 0.00 O ATOM 142 CB HIS A 10 66.137 5.388 14.867 1.00 0.00 C ATOM 143 CG HIS A 10 66.928 6.119 15.920 1.00 0.00 C ATOM 144 ND1 HIS A 10 66.870 7.487 16.102 1.00 0.00 N ATOM 145 CD2 HIS A 10 67.797 5.658 16.851 1.00 0.00 C ATOM 146 CE1 HIS A 10 67.671 7.829 17.094 1.00 0.00 C ATOM 147 NE2 HIS A 10 68.243 6.740 17.567 1.00 0.00 N ATOM 0 H HIS A 10 67.218 3.515 12.421 1.00 0.00 H new ATOM 0 HA HIS A 10 67.572 3.846 15.129 1.00 0.00 H new ATOM 0 HB2 HIS A 10 65.988 6.048 14.012 1.00 0.00 H new ATOM 0 HB3 HIS A 10 65.149 5.152 15.264 1.00 0.00 H new ATOM 0 HD1 HIS A 10 66.298 8.131 15.556 1.00 0.00 H new ATOM 0 HD2 HIS A 10 68.086 4.628 17.002 1.00 0.00 H new ATOM 0 HE1 HIS A 10 67.831 8.833 17.457 1.00 0.00 H new ATOM 156 N VAL A 11 64.562 3.295 13.865 1.00 0.00 N ATOM 157 CA VAL A 11 63.508 2.295 13.719 1.00 0.00 C ATOM 158 C VAL A 11 62.275 2.884 13.022 1.00 0.00 C ATOM 159 O VAL A 11 61.929 4.054 13.221 1.00 0.00 O ATOM 160 CB VAL A 11 63.102 1.693 15.089 1.00 0.00 C ATOM 161 CG1 VAL A 11 62.516 2.754 16.010 1.00 0.00 C ATOM 162 CG2 VAL A 11 62.128 0.537 14.912 1.00 0.00 C ATOM 0 H VAL A 11 64.283 4.243 13.613 1.00 0.00 H new ATOM 0 HA VAL A 11 63.912 1.496 13.098 1.00 0.00 H new ATOM 0 HB VAL A 11 64.007 1.307 15.557 1.00 0.00 H new ATOM 0 HG11 VAL A 11 62.242 2.299 16.962 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.256 3.536 16.182 1.00 0.00 H new ATOM 0 HG13 VAL A 11 61.630 3.188 15.547 1.00 0.00 H new ATOM 0 HG21 VAL A 11 61.860 0.134 15.889 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.230 0.892 14.407 1.00 0.00 H new ATOM 0 HG23 VAL A 11 62.596 -0.244 14.313 1.00 0.00 H new ATOM 172 N LEU A 12 61.654 2.072 12.177 1.00 0.00 N ATOM 173 CA LEU A 12 60.412 2.423 11.506 1.00 0.00 C ATOM 174 C LEU A 12 59.309 1.455 11.918 1.00 0.00 C ATOM 175 O LEU A 12 59.212 0.353 11.375 1.00 0.00 O ATOM 176 CB LEU A 12 60.583 2.357 9.982 1.00 0.00 C ATOM 177 CG LEU A 12 61.552 3.368 9.373 1.00 0.00 C ATOM 178 CD1 LEU A 12 61.833 3.013 7.922 1.00 0.00 C ATOM 179 CD2 LEU A 12 60.976 4.768 9.466 1.00 0.00 C ATOM 0 H LEU A 12 62.002 1.144 11.937 1.00 0.00 H new ATOM 0 HA LEU A 12 60.145 3.440 11.795 1.00 0.00 H new ATOM 0 HB2 LEU A 12 60.921 1.355 9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.606 2.497 9.520 1.00 0.00 H new ATOM 0 HG LEU A 12 62.488 3.337 9.931 1.00 0.00 H new ATOM 0 HD11 LEU A 12 62.525 3.740 7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 12 62.275 2.018 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 12 60.901 3.026 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 12 61.676 5.479 9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.031 4.809 8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.806 5.023 10.512 1.00 0.00 H new ATOM 191 N ASP A 13 58.499 1.843 12.888 1.00 0.00 N ATOM 192 CA ASP A 13 57.380 1.007 13.304 1.00 0.00 C ATOM 193 C ASP A 13 56.170 1.359 12.455 1.00 0.00 C ATOM 194 O ASP A 13 55.564 2.415 12.624 1.00 0.00 O ATOM 195 CB ASP A 13 57.081 1.183 14.794 1.00 0.00 C ATOM 196 CG ASP A 13 56.149 0.114 15.332 1.00 0.00 C ATOM 197 OD1 ASP A 13 56.366 -1.076 15.024 1.00 0.00 O ATOM 198 OD2 ASP A 13 55.202 0.450 16.078 1.00 0.00 O ATOM 0 H ASP A 13 58.591 2.721 13.399 1.00 0.00 H new ATOM 0 HA ASP A 13 57.635 -0.042 13.156 1.00 0.00 H new ATOM 0 HB2 ASP A 13 58.016 1.160 15.354 1.00 0.00 H new ATOM 0 HB3 ASP A 13 56.636 2.164 14.958 1.00 0.00 H new ATOM 203 N GLN A 14 55.851 0.480 11.521 1.00 0.00 N ATOM 204 CA GLN A 14 54.887 0.785 10.473 1.00 0.00 C ATOM 205 C GLN A 14 53.453 0.537 10.913 1.00 0.00 C ATOM 206 O GLN A 14 53.173 -0.406 11.656 1.00 0.00 O ATOM 207 CB GLN A 14 55.185 -0.063 9.238 1.00 0.00 C ATOM 208 CG GLN A 14 56.576 0.156 8.669 1.00 0.00 C ATOM 209 CD GLN A 14 56.841 -0.699 7.449 1.00 0.00 C ATOM 210 OE1 GLN A 14 55.921 -1.061 6.718 1.00 0.00 O ATOM 211 NE2 GLN A 14 58.102 -1.020 7.217 1.00 0.00 N ATOM 0 H GLN A 14 56.248 -0.458 11.466 1.00 0.00 H new ATOM 0 HA GLN A 14 54.986 1.846 10.244 1.00 0.00 H new ATOM 0 HB2 GLN A 14 55.068 -1.116 9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 14 54.447 0.161 8.467 1.00 0.00 H new ATOM 0 HG2 GLN A 14 56.697 1.207 8.406 1.00 0.00 H new ATOM 0 HG3 GLN A 14 57.318 -0.068 9.435 1.00 0.00 H new ATOM 0 HE21 GLN A 14 58.835 -0.698 7.849 1.00 0.00 H new ATOM 0 HE22 GLN A 14 58.342 -1.589 6.405 1.00 0.00 H new ATOM 220 N ASP A 15 52.553 1.396 10.444 1.00 0.00 N ATOM 221 CA ASP A 15 51.121 1.180 10.612 1.00 0.00 C ATOM 222 C ASP A 15 50.722 -0.106 9.905 1.00 0.00 C ATOM 223 O ASP A 15 50.213 -1.044 10.520 1.00 0.00 O ATOM 224 CB ASP A 15 50.317 2.342 10.016 1.00 0.00 C ATOM 225 CG ASP A 15 50.575 3.672 10.694 1.00 0.00 C ATOM 226 OD1 ASP A 15 51.618 4.292 10.417 1.00 0.00 O ATOM 227 OD2 ASP A 15 49.711 4.126 11.475 1.00 0.00 O ATOM 0 H ASP A 15 52.792 2.251 9.943 1.00 0.00 H new ATOM 0 HA ASP A 15 50.906 1.114 11.678 1.00 0.00 H new ATOM 0 HB2 ASP A 15 50.556 2.432 8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 15 49.254 2.110 10.084 1.00 0.00 H new ATOM 232 N ASN A 16 50.989 -0.135 8.603 1.00 0.00 N ATOM 233 CA ASN A 16 50.692 -1.284 7.754 1.00 0.00 C ATOM 234 C ASN A 16 51.260 -1.043 6.361 1.00 0.00 C ATOM 235 O ASN A 16 52.023 -1.852 5.838 1.00 0.00 O ATOM 236 CB ASN A 16 49.180 -1.529 7.663 1.00 0.00 C ATOM 237 CG ASN A 16 48.827 -2.736 6.807 1.00 0.00 C ATOM 238 OD1 ASN A 16 49.594 -3.696 6.712 1.00 0.00 O ATOM 239 ND2 ASN A 16 47.657 -2.703 6.189 1.00 0.00 N ATOM 0 H ASN A 16 51.420 0.643 8.104 1.00 0.00 H new ATOM 0 HA ASN A 16 51.152 -2.168 8.195 1.00 0.00 H new ATOM 0 HB2 ASN A 16 48.779 -1.672 8.666 1.00 0.00 H new ATOM 0 HB3 ASN A 16 48.698 -0.643 7.250 1.00 0.00 H new ATOM 0 HD21 ASN A 16 47.364 -3.490 5.610 1.00 0.00 H new ATOM 0 HD22 ASN A 16 47.049 -1.891 6.292 1.00 0.00 H new ATOM 246 N GLY A 17 50.881 0.086 5.773 1.00 0.00 N ATOM 247 CA GLY A 17 51.400 0.456 4.472 1.00 0.00 C ATOM 248 C GLY A 17 52.443 1.551 4.575 1.00 0.00 C ATOM 249 O GLY A 17 53.609 1.340 4.252 1.00 0.00 O ATOM 0 H GLY A 17 50.222 0.752 6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 17 51.838 -0.420 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 17 50.581 0.792 3.836 1.00 0.00 H new ATOM 253 N HIS A 18 52.024 2.726 5.031 1.00 0.00 N ATOM 254 CA HIS A 18 52.951 3.834 5.227 1.00 0.00 C ATOM 255 C HIS A 18 53.657 3.695 6.576 1.00 0.00 C ATOM 256 O HIS A 18 53.159 3.016 7.479 1.00 0.00 O ATOM 257 CB HIS A 18 52.232 5.193 5.110 1.00 0.00 C ATOM 258 CG HIS A 18 51.337 5.558 6.265 1.00 0.00 C ATOM 259 ND1 HIS A 18 51.171 6.858 6.687 1.00 0.00 N ATOM 260 CD2 HIS A 18 50.548 4.803 7.067 1.00 0.00 C ATOM 261 CE1 HIS A 18 50.324 6.890 7.697 1.00 0.00 C ATOM 262 NE2 HIS A 18 49.929 5.657 7.946 1.00 0.00 N ATOM 0 H HIS A 18 51.055 2.935 5.271 1.00 0.00 H new ATOM 0 HA HIS A 18 53.703 3.798 4.438 1.00 0.00 H new ATOM 0 HB2 HIS A 18 52.985 5.973 4.996 1.00 0.00 H new ATOM 0 HB3 HIS A 18 51.635 5.191 4.198 1.00 0.00 H new ATOM 0 HD1 HIS A 18 51.633 7.672 6.281 1.00 0.00 H new ATOM 0 HD2 HIS A 18 50.428 3.731 7.023 1.00 0.00 H new ATOM 0 HE1 HIS A 18 50.008 7.775 8.229 1.00 0.00 H new ATOM 271 N ALA A 19 54.808 4.336 6.711 1.00 0.00 N ATOM 272 CA ALA A 19 55.610 4.204 7.916 1.00 0.00 C ATOM 273 C ALA A 19 56.016 5.560 8.468 1.00 0.00 C ATOM 274 O ALA A 19 55.815 6.595 7.827 1.00 0.00 O ATOM 275 CB ALA A 19 56.847 3.367 7.628 1.00 0.00 C ATOM 0 H ALA A 19 55.206 4.952 6.002 1.00 0.00 H new ATOM 0 HA ALA A 19 55.001 3.705 8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 19 57.442 3.273 8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 19 56.545 2.376 7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 19 57.441 3.851 6.853 1.00 0.00 H new ATOM 281 N ARG A 20 56.577 5.542 9.666 1.00 0.00 N ATOM 282 CA ARG A 20 57.099 6.738 10.300 1.00 0.00 C ATOM 283 C ARG A 20 58.245 6.349 11.222 1.00 0.00 C ATOM 284 O ARG A 20 58.224 5.272 11.820 1.00 0.00 O ATOM 285 CB ARG A 20 55.996 7.451 11.096 1.00 0.00 C ATOM 286 CG ARG A 20 56.462 8.735 11.769 1.00 0.00 C ATOM 287 CD ARG A 20 55.346 9.404 12.554 1.00 0.00 C ATOM 288 NE ARG A 20 55.773 10.675 13.146 1.00 0.00 N ATOM 289 CZ ARG A 20 54.933 11.630 13.551 1.00 0.00 C ATOM 290 NH1 ARG A 20 53.621 11.467 13.421 1.00 0.00 N ATOM 291 NH2 ARG A 20 55.408 12.749 14.087 1.00 0.00 N ATOM 0 H ARG A 20 56.683 4.696 10.226 1.00 0.00 H new ATOM 0 HA ARG A 20 57.461 7.424 9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 20 55.168 7.682 10.426 1.00 0.00 H new ATOM 0 HB3 ARG A 20 55.611 6.771 11.856 1.00 0.00 H new ATOM 0 HG2 ARG A 20 57.293 8.512 12.438 1.00 0.00 H new ATOM 0 HG3 ARG A 20 56.837 9.425 11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 20 54.495 9.579 11.896 1.00 0.00 H new ATOM 0 HD3 ARG A 20 55.006 8.733 13.343 1.00 0.00 H new ATOM 0 HE ARG A 20 56.774 10.840 13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 20 53.252 10.609 13.010 1.00 0.00 H new ATOM 0 HH12 ARG A 20 52.983 12.199 13.732 1.00 0.00 H new ATOM 0 HH21 ARG A 20 56.415 12.878 14.189 1.00 0.00 H new ATOM 0 HH22 ARG A 20 54.766 13.479 14.396 1.00 0.00 H new ATOM 305 N CYS A 21 59.257 7.199 11.309 1.00 0.00 N ATOM 306 CA CYS A 21 60.346 6.974 12.240 1.00 0.00 C ATOM 307 C CYS A 21 59.808 6.997 13.664 1.00 0.00 C ATOM 308 O CYS A 21 59.425 8.049 14.166 1.00 0.00 O ATOM 309 CB CYS A 21 61.430 8.040 12.073 1.00 0.00 C ATOM 310 SG CYS A 21 62.481 7.854 10.608 1.00 0.00 S ATOM 0 H CYS A 21 59.345 8.046 10.748 1.00 0.00 H new ATOM 0 HA CYS A 21 60.790 6.000 12.033 1.00 0.00 H new ATOM 0 HB2 CYS A 21 60.951 9.018 12.034 1.00 0.00 H new ATOM 0 HB3 CYS A 21 62.065 8.031 12.959 1.00 0.00 H new ATOM 315 N ARG A 22 59.778 5.835 14.301 1.00 0.00 N ATOM 316 CA ARG A 22 59.149 5.686 15.609 1.00 0.00 C ATOM 317 C ARG A 22 59.854 6.538 16.659 1.00 0.00 C ATOM 318 O ARG A 22 59.227 7.358 17.330 1.00 0.00 O ATOM 319 CB ARG A 22 59.156 4.214 16.022 1.00 0.00 C ATOM 320 CG ARG A 22 58.052 3.845 17.001 1.00 0.00 C ATOM 321 CD ARG A 22 56.694 4.268 16.467 1.00 0.00 C ATOM 322 NE ARG A 22 55.628 3.341 16.840 1.00 0.00 N ATOM 323 CZ ARG A 22 54.337 3.568 16.598 1.00 0.00 C ATOM 324 NH1 ARG A 22 53.952 4.719 16.066 1.00 0.00 N ATOM 325 NH2 ARG A 22 53.428 2.648 16.893 1.00 0.00 N ATOM 0 H ARG A 22 60.184 4.975 13.932 1.00 0.00 H new ATOM 0 HA ARG A 22 58.118 6.033 15.538 1.00 0.00 H new ATOM 0 HB2 ARG A 22 59.059 3.596 15.130 1.00 0.00 H new ATOM 0 HB3 ARG A 22 60.121 3.977 16.471 1.00 0.00 H new ATOM 0 HG2 ARG A 22 58.060 2.769 17.176 1.00 0.00 H new ATOM 0 HG3 ARG A 22 58.236 4.326 17.962 1.00 0.00 H new ATOM 0 HD2 ARG A 22 56.454 5.262 16.844 1.00 0.00 H new ATOM 0 HD3 ARG A 22 56.742 4.342 15.381 1.00 0.00 H new ATOM 0 HE ARG A 22 55.886 2.474 17.311 1.00 0.00 H new ATOM 0 HH11 ARG A 22 54.644 5.434 15.841 1.00 0.00 H new ATOM 0 HH12 ARG A 22 52.964 4.890 15.882 1.00 0.00 H new ATOM 0 HH21 ARG A 22 53.716 1.761 17.307 1.00 0.00 H new ATOM 0 HH22 ARG A 22 52.442 2.827 16.706 1.00 0.00 H new ATOM 339 N SER A 23 61.160 6.347 16.789 1.00 0.00 N ATOM 340 CA SER A 23 61.947 7.102 17.754 1.00 0.00 C ATOM 341 C SER A 23 62.235 8.510 17.242 1.00 0.00 C ATOM 342 O SER A 23 62.156 9.482 17.994 1.00 0.00 O ATOM 343 CB SER A 23 63.260 6.374 18.035 1.00 0.00 C ATOM 344 OG SER A 23 63.024 5.010 18.326 1.00 0.00 O ATOM 0 H SER A 23 61.696 5.676 16.239 1.00 0.00 H new ATOM 0 HA SER A 23 61.372 7.184 18.676 1.00 0.00 H new ATOM 0 HB2 SER A 23 63.920 6.458 17.171 1.00 0.00 H new ATOM 0 HB3 SER A 23 63.771 6.847 18.874 1.00 0.00 H new ATOM 0 HG SER A 23 63.877 4.561 18.501 1.00 0.00 H new ATOM 350 N CYS A 24 62.551 8.614 15.957 1.00 0.00 N ATOM 351 CA CYS A 24 62.937 9.891 15.372 1.00 0.00 C ATOM 352 C CYS A 24 61.750 10.855 15.344 1.00 0.00 C ATOM 353 O CYS A 24 61.831 11.974 15.843 1.00 0.00 O ATOM 354 CB CYS A 24 63.454 9.707 13.945 1.00 0.00 C ATOM 355 SG CYS A 24 64.457 8.217 13.637 1.00 0.00 S ATOM 0 H CYS A 24 62.548 7.832 15.302 1.00 0.00 H new ATOM 0 HA CYS A 24 63.731 10.305 15.993 1.00 0.00 H new ATOM 0 HB2 CYS A 24 62.598 9.689 13.270 1.00 0.00 H new ATOM 0 HB3 CYS A 24 64.049 10.581 13.681 1.00 0.00 H new ATOM 360 N GLY A 25 60.643 10.399 14.769 1.00 0.00 N ATOM 361 CA GLY A 25 59.495 11.261 14.567 1.00 0.00 C ATOM 362 C GLY A 25 59.328 11.644 13.109 1.00 0.00 C ATOM 363 O GLY A 25 58.284 12.157 12.708 1.00 0.00 O ATOM 0 H GLY A 25 60.521 9.442 14.438 1.00 0.00 H new ATOM 0 HA2 GLY A 25 58.595 10.755 14.915 1.00 0.00 H new ATOM 0 HA3 GLY A 25 59.607 12.163 15.169 1.00 0.00 H new ATOM 367 N GLU A 26 60.365 11.375 12.323 1.00 0.00 N ATOM 368 CA GLU A 26 60.397 11.715 10.901 1.00 0.00 C ATOM 369 C GLU A 26 59.350 10.929 10.117 1.00 0.00 C ATOM 370 O GLU A 26 58.999 9.809 10.487 1.00 0.00 O ATOM 371 CB GLU A 26 61.768 11.381 10.327 1.00 0.00 C ATOM 372 CG GLU A 26 62.927 11.832 11.193 1.00 0.00 C ATOM 373 CD GLU A 26 64.194 11.075 10.870 1.00 0.00 C ATOM 374 OE1 GLU A 26 64.273 9.866 11.218 1.00 0.00 O ATOM 375 OE2 GLU A 26 65.108 11.664 10.268 1.00 0.00 O ATOM 0 H GLU A 26 61.212 10.913 12.654 1.00 0.00 H new ATOM 0 HA GLU A 26 60.185 12.780 10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 26 61.836 10.303 10.180 1.00 0.00 H new ATOM 0 HB3 GLU A 26 61.861 11.843 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 26 63.094 12.899 11.050 1.00 0.00 H new ATOM 0 HG3 GLU A 26 62.674 11.687 12.243 1.00 0.00 H new ATOM 382 N PHE A 27 58.880 11.501 9.021 1.00 0.00 N ATOM 383 CA PHE A 27 57.918 10.828 8.163 1.00 0.00 C ATOM 384 C PHE A 27 58.622 10.147 6.997 1.00 0.00 C ATOM 385 O PHE A 27 59.196 10.812 6.136 1.00 0.00 O ATOM 386 CB PHE A 27 56.882 11.823 7.632 1.00 0.00 C ATOM 387 CG PHE A 27 55.957 12.360 8.687 1.00 0.00 C ATOM 388 CD1 PHE A 27 56.294 13.482 9.427 1.00 0.00 C ATOM 389 CD2 PHE A 27 54.741 11.743 8.927 1.00 0.00 C ATOM 390 CE1 PHE A 27 55.435 13.978 10.389 1.00 0.00 C ATOM 391 CE2 PHE A 27 53.879 12.232 9.888 1.00 0.00 C ATOM 392 CZ PHE A 27 54.225 13.352 10.619 1.00 0.00 C ATOM 0 H PHE A 27 59.150 12.432 8.704 1.00 0.00 H new ATOM 0 HA PHE A 27 57.408 10.070 8.758 1.00 0.00 H new ATOM 0 HB2 PHE A 27 57.402 12.657 7.160 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.290 11.337 6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 27 57.239 13.974 9.250 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.464 10.869 8.356 1.00 0.00 H new ATOM 0 HE1 PHE A 27 55.709 14.853 10.960 1.00 0.00 H new ATOM 0 HE2 PHE A 27 52.935 11.739 10.068 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.551 13.738 11.369 1.00 0.00 H new ATOM 402 N ILE A 28 58.602 8.822 6.988 1.00 0.00 N ATOM 403 CA ILE A 28 59.134 8.062 5.869 1.00 0.00 C ATOM 404 C ILE A 28 58.094 7.055 5.403 1.00 0.00 C ATOM 405 O ILE A 28 57.984 5.957 5.948 1.00 0.00 O ATOM 406 CB ILE A 28 60.445 7.317 6.224 1.00 0.00 C ATOM 407 CG1 ILE A 28 61.528 8.304 6.674 1.00 0.00 C ATOM 408 CG2 ILE A 28 60.931 6.505 5.027 1.00 0.00 C ATOM 409 CD1 ILE A 28 62.856 7.646 6.999 1.00 0.00 C ATOM 0 H ILE A 28 58.223 8.252 7.744 1.00 0.00 H new ATOM 0 HA ILE A 28 59.367 8.772 5.076 1.00 0.00 H new ATOM 0 HB ILE A 28 60.240 6.637 7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 28 61.682 9.044 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 28 61.174 8.842 7.554 1.00 0.00 H new ATOM 0 HG21 ILE A 28 61.853 5.986 5.289 1.00 0.00 H new ATOM 0 HG22 ILE A 28 60.170 5.775 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 28 61.117 7.173 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 28 63.572 8.406 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 28 62.718 6.926 7.806 1.00 0.00 H new ATOM 0 HD13 ILE A 28 63.233 7.132 6.115 1.00 0.00 H new ATOM 421 N GLU A 29 57.313 7.442 4.411 1.00 0.00 N ATOM 422 CA GLU A 29 56.276 6.573 3.891 1.00 0.00 C ATOM 423 C GLU A 29 56.814 5.790 2.705 1.00 0.00 C ATOM 424 O GLU A 29 57.908 6.069 2.214 1.00 0.00 O ATOM 425 CB GLU A 29 55.035 7.379 3.502 1.00 0.00 C ATOM 426 CG GLU A 29 54.531 8.282 4.621 1.00 0.00 C ATOM 427 CD GLU A 29 53.119 8.786 4.394 1.00 0.00 C ATOM 428 OE1 GLU A 29 52.806 9.228 3.269 1.00 0.00 O ATOM 429 OE2 GLU A 29 52.314 8.747 5.348 1.00 0.00 O ATOM 0 H GLU A 29 57.377 8.350 3.951 1.00 0.00 H new ATOM 0 HA GLU A 29 55.979 5.870 4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 29 55.265 7.988 2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 29 54.240 6.692 3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 29 54.567 7.736 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 29 55.202 9.135 4.721 1.00 0.00 H new ATOM 436 N MET A 30 56.058 4.808 2.248 1.00 0.00 N ATOM 437 CA MET A 30 56.516 3.951 1.172 1.00 0.00 C ATOM 438 C MET A 30 55.559 3.985 -0.005 1.00 0.00 C ATOM 439 O MET A 30 54.338 4.000 0.168 1.00 0.00 O ATOM 440 CB MET A 30 56.700 2.512 1.664 1.00 0.00 C ATOM 441 CG MET A 30 57.865 2.343 2.627 1.00 0.00 C ATOM 442 SD MET A 30 58.072 0.643 3.190 1.00 0.00 S ATOM 443 CE MET A 30 59.522 0.814 4.227 1.00 0.00 C ATOM 0 H MET A 30 55.128 4.586 2.604 1.00 0.00 H new ATOM 0 HA MET A 30 57.481 4.331 0.836 1.00 0.00 H new ATOM 0 HB2 MET A 30 55.783 2.184 2.154 1.00 0.00 H new ATOM 0 HB3 MET A 30 56.852 1.859 0.804 1.00 0.00 H new ATOM 0 HG2 MET A 30 58.783 2.673 2.140 1.00 0.00 H new ATOM 0 HG3 MET A 30 57.712 2.990 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 30 59.781 -0.155 4.653 1.00 0.00 H new ATOM 0 HE2 MET A 30 60.356 1.182 3.629 1.00 0.00 H new ATOM 0 HE3 MET A 30 59.313 1.519 5.031 1.00 0.00 H new ATOM 453 N LYS A 31 56.129 4.021 -1.198 1.00 0.00 N ATOM 454 CA LYS A 31 55.364 3.956 -2.426 1.00 0.00 C ATOM 455 C LYS A 31 54.944 2.520 -2.688 1.00 0.00 C ATOM 456 O LYS A 31 55.773 1.604 -2.617 1.00 0.00 O ATOM 457 CB LYS A 31 56.197 4.457 -3.609 1.00 0.00 C ATOM 458 CG LYS A 31 56.613 5.916 -3.519 1.00 0.00 C ATOM 459 CD LYS A 31 57.566 6.282 -4.649 1.00 0.00 C ATOM 460 CE LYS A 31 57.928 7.759 -4.636 1.00 0.00 C ATOM 461 NZ LYS A 31 56.765 8.626 -4.961 1.00 0.00 N ATOM 0 H LYS A 31 57.136 4.096 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 31 54.484 4.590 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 31 57.093 3.842 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 31 55.626 4.312 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 31 55.730 6.553 -3.563 1.00 0.00 H new ATOM 0 HG3 LYS A 31 57.093 6.102 -2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 31 58.474 5.686 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.108 6.030 -5.605 1.00 0.00 H new ATOM 0 HE2 LYS A 31 58.316 8.028 -3.653 1.00 0.00 H new ATOM 0 HE3 LYS A 31 58.727 7.942 -5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 57.090 9.603 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 56.306 8.281 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 56.084 8.602 -4.176 1.00 0.00 H new ATOM 475 N ALA A 32 53.670 2.325 -2.981 1.00 0.00 N ATOM 476 CA ALA A 32 53.166 1.008 -3.320 1.00 0.00 C ATOM 477 C ALA A 32 53.296 0.777 -4.816 1.00 0.00 C ATOM 478 O ALA A 32 52.386 1.085 -5.588 1.00 0.00 O ATOM 479 CB ALA A 32 51.720 0.851 -2.869 1.00 0.00 C ATOM 0 H ALA A 32 52.966 3.063 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 32 53.759 0.258 -2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.362 -0.144 -3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 32 51.659 0.983 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.102 1.601 -3.362 1.00 0.00 H new ATOM 485 N LEU A 33 54.446 0.271 -5.227 1.00 0.00 N ATOM 486 CA LEU A 33 54.727 0.090 -6.639 1.00 0.00 C ATOM 487 C LEU A 33 54.643 -1.375 -7.030 1.00 0.00 C ATOM 488 O LEU A 33 54.933 -2.264 -6.227 1.00 0.00 O ATOM 489 CB LEU A 33 56.121 0.630 -6.983 1.00 0.00 C ATOM 490 CG LEU A 33 56.369 2.098 -6.629 1.00 0.00 C ATOM 491 CD1 LEU A 33 57.759 2.516 -7.075 1.00 0.00 C ATOM 492 CD2 LEU A 33 55.314 2.990 -7.262 1.00 0.00 C ATOM 0 H LEU A 33 55.199 -0.021 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 33 53.975 0.646 -7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 33 56.864 0.021 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.287 0.500 -8.052 1.00 0.00 H new ATOM 0 HG LEU A 33 56.301 2.210 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 33 57.924 3.562 -6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 33 58.503 1.897 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 33 57.849 2.389 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 33 55.510 4.029 -6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.347 2.879 -8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.328 2.702 -6.897 1.00 0.00 H new ATOM 504 N CYS A 34 54.234 -1.624 -8.264 1.00 0.00 N ATOM 505 CA CYS A 34 54.280 -2.964 -8.818 1.00 0.00 C ATOM 506 C CYS A 34 55.721 -3.284 -9.197 1.00 0.00 C ATOM 507 O CYS A 34 56.332 -2.558 -9.974 1.00 0.00 O ATOM 508 CB CYS A 34 53.364 -3.065 -10.041 1.00 0.00 C ATOM 509 SG CYS A 34 53.310 -4.705 -10.810 1.00 0.00 S ATOM 0 H CYS A 34 53.867 -0.915 -8.899 1.00 0.00 H new ATOM 0 HA CYS A 34 53.929 -3.684 -8.078 1.00 0.00 H new ATOM 0 HB2 CYS A 34 52.353 -2.783 -9.746 1.00 0.00 H new ATOM 0 HB3 CYS A 34 53.693 -2.340 -10.785 1.00 0.00 H new ATOM 514 N PRO A 35 56.274 -4.381 -8.664 1.00 0.00 N ATOM 515 CA PRO A 35 57.708 -4.701 -8.788 1.00 0.00 C ATOM 516 C PRO A 35 58.184 -4.813 -10.238 1.00 0.00 C ATOM 517 O PRO A 35 59.338 -4.517 -10.548 1.00 0.00 O ATOM 518 CB PRO A 35 57.838 -6.056 -8.078 1.00 0.00 C ATOM 519 CG PRO A 35 56.452 -6.603 -8.015 1.00 0.00 C ATOM 520 CD PRO A 35 55.547 -5.413 -7.907 1.00 0.00 C ATOM 0 HA PRO A 35 58.325 -3.911 -8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 35 58.500 -6.725 -8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 35 58.260 -5.938 -7.080 1.00 0.00 H new ATOM 0 HG2 PRO A 35 56.222 -7.189 -8.905 1.00 0.00 H new ATOM 0 HG3 PRO A 35 56.332 -7.265 -7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 35 54.564 -5.612 -8.335 1.00 0.00 H new ATOM 0 HD3 PRO A 35 55.389 -5.118 -6.870 1.00 0.00 H new ATOM 528 N ASP A 36 57.284 -5.212 -11.129 1.00 0.00 N ATOM 529 CA ASP A 36 57.648 -5.479 -12.517 1.00 0.00 C ATOM 530 C ASP A 36 57.810 -4.185 -13.319 1.00 0.00 C ATOM 531 O ASP A 36 58.694 -4.082 -14.168 1.00 0.00 O ATOM 532 CB ASP A 36 56.597 -6.374 -13.188 1.00 0.00 C ATOM 533 CG ASP A 36 55.506 -5.591 -13.901 1.00 0.00 C ATOM 534 OD1 ASP A 36 54.539 -5.134 -13.235 1.00 0.00 O ATOM 535 OD2 ASP A 36 55.600 -5.431 -15.131 1.00 0.00 O ATOM 0 H ASP A 36 56.297 -5.358 -10.916 1.00 0.00 H new ATOM 0 HA ASP A 36 58.608 -5.995 -12.505 1.00 0.00 H new ATOM 0 HB2 ASP A 36 57.092 -7.029 -13.905 1.00 0.00 H new ATOM 0 HB3 ASP A 36 56.141 -7.015 -12.433 1.00 0.00 H new ATOM 540 N CYS A 37 56.970 -3.198 -13.034 1.00 0.00 N ATOM 541 CA CYS A 37 56.888 -2.006 -13.872 1.00 0.00 C ATOM 542 C CYS A 37 57.209 -0.736 -13.093 1.00 0.00 C ATOM 543 O CYS A 37 57.596 0.277 -13.675 1.00 0.00 O ATOM 544 CB CYS A 37 55.490 -1.920 -14.494 1.00 0.00 C ATOM 545 SG CYS A 37 54.135 -2.288 -13.342 1.00 0.00 S ATOM 0 H CYS A 37 56.338 -3.198 -12.233 1.00 0.00 H new ATOM 0 HA CYS A 37 57.636 -2.090 -14.660 1.00 0.00 H new ATOM 0 HB2 CYS A 37 55.346 -0.918 -14.898 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.436 -2.613 -15.334 1.00 0.00 H new ATOM 550 N HIS A 38 57.053 -0.808 -11.775 1.00 0.00 N ATOM 551 CA HIS A 38 57.299 0.321 -10.878 1.00 0.00 C ATOM 552 C HIS A 38 56.283 1.440 -11.078 1.00 0.00 C ATOM 553 O HIS A 38 56.504 2.576 -10.662 1.00 0.00 O ATOM 554 CB HIS A 38 58.733 0.840 -11.018 1.00 0.00 C ATOM 555 CG HIS A 38 59.729 -0.036 -10.327 1.00 0.00 C ATOM 556 ND1 HIS A 38 60.493 -0.976 -10.979 1.00 0.00 N ATOM 557 CD2 HIS A 38 60.058 -0.129 -9.018 1.00 0.00 C ATOM 558 CE1 HIS A 38 61.246 -1.612 -10.100 1.00 0.00 C ATOM 559 NE2 HIS A 38 61.001 -1.119 -8.900 1.00 0.00 N ATOM 0 H HIS A 38 56.751 -1.655 -11.294 1.00 0.00 H new ATOM 0 HA HIS A 38 57.175 -0.046 -9.859 1.00 0.00 H new ATOM 0 HB2 HIS A 38 58.989 0.911 -12.075 1.00 0.00 H new ATOM 0 HB3 HIS A 38 58.793 1.848 -10.607 1.00 0.00 H new ATOM 0 HD2 HIS A 38 59.653 0.467 -8.213 1.00 0.00 H new ATOM 0 HE1 HIS A 38 61.946 -2.403 -10.325 1.00 0.00 H new ATOM 0 HE2 HIS A 38 61.439 -1.423 -8.031 1.00 0.00 H new ATOM 568 N GLN A 39 55.164 1.106 -11.707 1.00 0.00 N ATOM 569 CA GLN A 39 54.020 2.001 -11.740 1.00 0.00 C ATOM 570 C GLN A 39 53.278 1.908 -10.415 1.00 0.00 C ATOM 571 O GLN A 39 53.151 0.813 -9.852 1.00 0.00 O ATOM 572 CB GLN A 39 53.073 1.652 -12.897 1.00 0.00 C ATOM 573 CG GLN A 39 53.423 2.320 -14.223 1.00 0.00 C ATOM 574 CD GLN A 39 54.791 1.937 -14.744 1.00 0.00 C ATOM 575 OE1 GLN A 39 54.939 0.956 -15.471 1.00 0.00 O ATOM 576 NE2 GLN A 39 55.794 2.721 -14.394 1.00 0.00 N ATOM 0 H GLN A 39 55.026 0.224 -12.200 1.00 0.00 H new ATOM 0 HA GLN A 39 54.377 3.019 -11.898 1.00 0.00 H new ATOM 0 HB2 GLN A 39 53.074 0.571 -13.038 1.00 0.00 H new ATOM 0 HB3 GLN A 39 52.058 1.936 -12.618 1.00 0.00 H new ATOM 0 HG2 GLN A 39 52.671 2.053 -14.966 1.00 0.00 H new ATOM 0 HG3 GLN A 39 53.379 3.402 -14.099 1.00 0.00 H new ATOM 0 HE21 GLN A 39 55.626 3.525 -13.789 1.00 0.00 H new ATOM 0 HE22 GLN A 39 56.737 2.523 -14.729 1.00 0.00 H new ATOM 585 N PRO A 40 52.805 3.047 -9.890 1.00 0.00 N ATOM 586 CA PRO A 40 52.057 3.088 -8.631 1.00 0.00 C ATOM 587 C PRO A 40 50.776 2.266 -8.700 1.00 0.00 C ATOM 588 O PRO A 40 49.988 2.399 -9.640 1.00 0.00 O ATOM 589 CB PRO A 40 51.729 4.576 -8.444 1.00 0.00 C ATOM 590 CG PRO A 40 52.702 5.299 -9.313 1.00 0.00 C ATOM 591 CD PRO A 40 52.961 4.387 -10.478 1.00 0.00 C ATOM 0 HA PRO A 40 52.630 2.665 -7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 40 50.702 4.793 -8.736 1.00 0.00 H new ATOM 0 HB3 PRO A 40 51.834 4.875 -7.401 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.295 6.254 -9.646 1.00 0.00 H new ATOM 0 HG3 PRO A 40 53.624 5.516 -8.773 1.00 0.00 H new ATOM 0 HD2 PRO A 40 52.253 4.557 -11.289 1.00 0.00 H new ATOM 0 HD3 PRO A 40 53.959 4.533 -10.891 1.00 0.00 H new ATOM 599 N LEU A 41 50.583 1.408 -7.711 1.00 0.00 N ATOM 600 CA LEU A 41 49.388 0.585 -7.639 1.00 0.00 C ATOM 601 C LEU A 41 48.192 1.433 -7.240 1.00 0.00 C ATOM 602 O LEU A 41 48.230 2.148 -6.237 1.00 0.00 O ATOM 603 CB LEU A 41 49.584 -0.556 -6.640 1.00 0.00 C ATOM 604 CG LEU A 41 50.648 -1.583 -7.030 1.00 0.00 C ATOM 605 CD1 LEU A 41 50.844 -2.592 -5.914 1.00 0.00 C ATOM 606 CD2 LEU A 41 50.257 -2.285 -8.321 1.00 0.00 C ATOM 0 H LEU A 41 51.241 1.264 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 41 49.202 0.155 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 41 49.850 -0.130 -5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 41 48.633 -1.072 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 41 51.591 -1.062 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 41 51.604 -3.316 -6.207 1.00 0.00 H new ATOM 0 HD12 LEU A 41 51.164 -2.076 -5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 41 49.904 -3.110 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 41 51.024 -3.013 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 41 49.304 -2.796 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 41 50.163 -1.550 -9.121 1.00 0.00 H new ATOM 618 N GLN A 42 47.139 1.359 -8.035 1.00 0.00 N ATOM 619 CA GLN A 42 45.939 2.129 -7.775 1.00 0.00 C ATOM 620 C GLN A 42 45.194 1.551 -6.581 1.00 0.00 C ATOM 621 O GLN A 42 44.805 0.380 -6.584 1.00 0.00 O ATOM 622 CB GLN A 42 45.042 2.150 -9.011 1.00 0.00 C ATOM 623 CG GLN A 42 43.804 3.015 -8.856 1.00 0.00 C ATOM 624 CD GLN A 42 43.027 3.144 -10.146 1.00 0.00 C ATOM 625 OE1 GLN A 42 42.091 2.239 -10.368 1.00 0.00 O flip ATOM 626 NE2 GLN A 42 43.269 4.050 -10.939 1.00 0.00 N flip ATOM 0 H GLN A 42 47.092 0.772 -8.868 1.00 0.00 H new ATOM 0 HA GLN A 42 46.224 3.155 -7.542 1.00 0.00 H new ATOM 0 HB2 GLN A 42 45.621 2.509 -9.862 1.00 0.00 H new ATOM 0 HB3 GLN A 42 44.734 1.130 -9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 42 43.159 2.588 -8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 42 44.097 4.006 -8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 42 44.001 4.729 -10.730 1.00 0.00 H new ATOM 0 HE22 GLN A 42 42.738 4.123 -11.807 1.00 0.00 H new ATOM 635 N VAL A 43 45.020 2.374 -5.560 1.00 0.00 N ATOM 636 CA VAL A 43 44.360 1.952 -4.337 1.00 0.00 C ATOM 637 C VAL A 43 42.850 1.926 -4.529 1.00 0.00 C ATOM 638 O VAL A 43 42.190 2.967 -4.519 1.00 0.00 O ATOM 639 CB VAL A 43 44.717 2.877 -3.151 1.00 0.00 C ATOM 640 CG1 VAL A 43 44.106 2.361 -1.856 1.00 0.00 C ATOM 641 CG2 VAL A 43 46.227 3.015 -3.015 1.00 0.00 C ATOM 0 H VAL A 43 45.330 3.346 -5.555 1.00 0.00 H new ATOM 0 HA VAL A 43 44.713 0.947 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 43 44.298 3.863 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 43 44.372 3.029 -1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 43 43.021 2.322 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 43 44.487 1.361 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 43 46.458 3.670 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 43 46.668 2.033 -2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 43 46.637 3.441 -3.931 1.00 0.00 H new ATOM 651 N LEU A 44 42.316 0.733 -4.731 1.00 0.00 N ATOM 652 CA LEU A 44 40.884 0.552 -4.901 1.00 0.00 C ATOM 653 C LEU A 44 40.204 0.543 -3.542 1.00 0.00 C ATOM 654 O LEU A 44 40.225 -0.469 -2.841 1.00 0.00 O ATOM 655 CB LEU A 44 40.582 -0.766 -5.624 1.00 0.00 C ATOM 656 CG LEU A 44 41.309 -0.987 -6.954 1.00 0.00 C ATOM 657 CD1 LEU A 44 40.958 -2.349 -7.526 1.00 0.00 C ATOM 658 CD2 LEU A 44 40.964 0.105 -7.954 1.00 0.00 C ATOM 0 H LEU A 44 42.857 -0.130 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 44 40.504 1.378 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 44 40.832 -1.589 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 44 39.509 -0.819 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 44 42.381 -0.947 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 44 41.482 -2.493 -8.471 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.257 -3.127 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 44 39.883 -2.407 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.494 -0.077 -8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 44 39.890 0.102 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.260 1.074 -7.552 1.00 0.00 H new ATOM 670 N LYS A 45 39.635 1.673 -3.154 1.00 0.00 N ATOM 671 CA LYS A 45 38.941 1.758 -1.881 1.00 0.00 C ATOM 672 C LYS A 45 37.440 1.597 -2.066 1.00 0.00 C ATOM 673 O LYS A 45 36.760 2.494 -2.572 1.00 0.00 O ATOM 674 CB LYS A 45 39.238 3.078 -1.164 1.00 0.00 C ATOM 675 CG LYS A 45 40.682 3.223 -0.710 1.00 0.00 C ATOM 676 CD LYS A 45 40.800 4.207 0.445 1.00 0.00 C ATOM 677 CE LYS A 45 40.084 3.687 1.681 1.00 0.00 C ATOM 678 NZ LYS A 45 40.129 4.651 2.809 1.00 0.00 N ATOM 0 H LYS A 45 39.640 2.536 -3.697 1.00 0.00 H new ATOM 0 HA LYS A 45 39.310 0.941 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 45 38.992 3.905 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 45 38.584 3.163 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 45 41.069 2.251 -0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 45 41.296 3.562 -1.544 1.00 0.00 H new ATOM 0 HD2 LYS A 45 41.852 4.378 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 45 40.377 5.168 0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 45 39.045 3.472 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 45 40.539 2.746 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 39.628 4.251 3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 41.119 4.838 3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 39.672 5.541 2.524 1.00 0.00 H new ATOM 692 N ALA A 46 36.940 0.441 -1.670 1.00 0.00 N ATOM 693 CA ALA A 46 35.515 0.175 -1.675 1.00 0.00 C ATOM 694 C ALA A 46 34.999 0.170 -0.243 1.00 0.00 C ATOM 695 O ALA A 46 35.768 0.389 0.696 1.00 0.00 O ATOM 696 CB ALA A 46 35.223 -1.153 -2.359 1.00 0.00 C ATOM 0 H ALA A 46 37.509 -0.337 -1.337 1.00 0.00 H new ATOM 0 HA ALA A 46 35.004 0.958 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.149 -1.337 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 35.580 -1.118 -3.388 1.00 0.00 H new ATOM 0 HB3 ALA A 46 35.731 -1.956 -1.826 1.00 0.00 H new ATOM 702 N CYS A 47 33.714 -0.077 -0.069 1.00 0.00 N ATOM 703 CA CYS A 47 33.135 -0.110 1.262 1.00 0.00 C ATOM 704 C CYS A 47 33.412 -1.458 1.928 1.00 0.00 C ATOM 705 O CYS A 47 32.589 -2.370 1.880 1.00 0.00 O ATOM 706 CB CYS A 47 31.628 0.165 1.200 1.00 0.00 C ATOM 707 SG CYS A 47 30.849 0.411 2.814 1.00 0.00 S ATOM 0 H CYS A 47 33.055 -0.257 -0.826 1.00 0.00 H new ATOM 0 HA CYS A 47 33.599 0.672 1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 47 31.457 1.051 0.588 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.139 -0.669 0.697 1.00 0.00 H new ATOM 0 HG CYS A 47 29.579 0.638 2.653 1.00 0.00 H new ATOM 713 N GLY A 48 34.599 -1.589 2.510 1.00 0.00 N ATOM 714 CA GLY A 48 34.962 -2.815 3.196 1.00 0.00 C ATOM 715 C GLY A 48 36.092 -3.561 2.511 1.00 0.00 C ATOM 716 O GLY A 48 36.671 -4.486 3.083 1.00 0.00 O ATOM 0 H GLY A 48 35.318 -0.866 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 48 35.256 -2.580 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 48 34.089 -3.464 3.256 1.00 0.00 H new ATOM 720 N ALA A 49 36.413 -3.158 1.288 1.00 0.00 N ATOM 721 CA ALA A 49 37.454 -3.819 0.512 1.00 0.00 C ATOM 722 C ALA A 49 38.487 -2.820 0.011 1.00 0.00 C ATOM 723 O ALA A 49 38.137 -1.724 -0.432 1.00 0.00 O ATOM 724 CB ALA A 49 36.842 -4.573 -0.657 1.00 0.00 C ATOM 0 H ALA A 49 35.966 -2.375 0.811 1.00 0.00 H new ATOM 0 HA ALA A 49 37.961 -4.529 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 49 37.631 -5.062 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 49 36.147 -5.324 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 49 36.308 -3.874 -1.301 1.00 0.00 H new ATOM 730 N VAL A 50 39.755 -3.199 0.089 1.00 0.00 N ATOM 731 CA VAL A 50 40.850 -2.370 -0.405 1.00 0.00 C ATOM 732 C VAL A 50 41.844 -3.236 -1.172 1.00 0.00 C ATOM 733 O VAL A 50 42.418 -4.177 -0.619 1.00 0.00 O ATOM 734 CB VAL A 50 41.593 -1.641 0.742 1.00 0.00 C ATOM 735 CG1 VAL A 50 42.721 -0.779 0.191 1.00 0.00 C ATOM 736 CG2 VAL A 50 40.633 -0.791 1.561 1.00 0.00 C ATOM 0 H VAL A 50 40.055 -4.086 0.494 1.00 0.00 H new ATOM 0 HA VAL A 50 40.417 -1.614 -1.060 1.00 0.00 H new ATOM 0 HB VAL A 50 42.022 -2.400 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 50 43.230 -0.276 1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 50 43.432 -1.409 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 50 42.310 -0.035 -0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 50 41.181 -0.290 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 50 40.168 -0.045 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 50 39.862 -1.428 1.994 1.00 0.00 H new ATOM 746 N ASP A 51 42.036 -2.930 -2.447 1.00 0.00 N ATOM 747 CA ASP A 51 42.941 -3.705 -3.289 1.00 0.00 C ATOM 748 C ASP A 51 43.900 -2.800 -4.042 1.00 0.00 C ATOM 749 O ASP A 51 43.636 -1.612 -4.226 1.00 0.00 O ATOM 750 CB ASP A 51 42.164 -4.562 -4.293 1.00 0.00 C ATOM 751 CG ASP A 51 41.516 -5.777 -3.660 1.00 0.00 C ATOM 752 OD1 ASP A 51 42.174 -6.836 -3.585 1.00 0.00 O ATOM 753 OD2 ASP A 51 40.336 -5.692 -3.257 1.00 0.00 O ATOM 0 H ASP A 51 41.579 -2.152 -2.922 1.00 0.00 H new ATOM 0 HA ASP A 51 43.512 -4.358 -2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 51 41.394 -3.951 -4.764 1.00 0.00 H new ATOM 0 HB3 ASP A 51 42.840 -4.888 -5.083 1.00 0.00 H new ATOM 758 N TYR A 52 45.016 -3.366 -4.471 1.00 0.00 N ATOM 759 CA TYR A 52 45.996 -2.632 -5.253 1.00 0.00 C ATOM 760 C TYR A 52 45.974 -3.106 -6.705 1.00 0.00 C ATOM 761 O TYR A 52 46.321 -4.252 -7.001 1.00 0.00 O ATOM 762 CB TYR A 52 47.394 -2.807 -4.652 1.00 0.00 C ATOM 763 CG TYR A 52 47.522 -2.244 -3.253 1.00 0.00 C ATOM 764 CD1 TYR A 52 47.655 -0.877 -3.049 1.00 0.00 C ATOM 765 CD2 TYR A 52 47.511 -3.078 -2.139 1.00 0.00 C ATOM 766 CE1 TYR A 52 47.765 -0.354 -1.775 1.00 0.00 C ATOM 767 CE2 TYR A 52 47.622 -2.561 -0.862 1.00 0.00 C ATOM 768 CZ TYR A 52 47.750 -1.199 -0.686 1.00 0.00 C ATOM 769 OH TYR A 52 47.856 -0.678 0.584 1.00 0.00 O ATOM 0 H TYR A 52 45.266 -4.338 -4.289 1.00 0.00 H new ATOM 0 HA TYR A 52 45.741 -1.572 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 52 47.643 -3.868 -4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 52 48.123 -2.320 -5.300 1.00 0.00 H new ATOM 0 HD1 TYR A 52 47.673 -0.212 -3.900 1.00 0.00 H new ATOM 0 HD2 TYR A 52 47.414 -4.145 -2.274 1.00 0.00 H new ATOM 0 HE1 TYR A 52 47.862 0.712 -1.633 1.00 0.00 H new ATOM 0 HE2 TYR A 52 47.609 -3.220 -0.006 1.00 0.00 H new ATOM 0 HH TYR A 52 47.828 -1.406 1.240 1.00 0.00 H new ATOM 779 N PHE A 53 45.553 -2.223 -7.603 1.00 0.00 N ATOM 780 CA PHE A 53 45.392 -2.573 -9.009 1.00 0.00 C ATOM 781 C PHE A 53 46.540 -2.015 -9.847 1.00 0.00 C ATOM 782 O PHE A 53 46.895 -0.843 -9.729 1.00 0.00 O ATOM 783 CB PHE A 53 44.053 -2.033 -9.524 1.00 0.00 C ATOM 784 CG PHE A 53 43.689 -2.495 -10.907 1.00 0.00 C ATOM 785 CD1 PHE A 53 43.107 -3.736 -11.107 1.00 0.00 C ATOM 786 CD2 PHE A 53 43.923 -1.686 -12.004 1.00 0.00 C ATOM 787 CE1 PHE A 53 42.767 -4.159 -12.376 1.00 0.00 C ATOM 788 CE2 PHE A 53 43.584 -2.104 -13.277 1.00 0.00 C ATOM 789 CZ PHE A 53 43.005 -3.343 -13.463 1.00 0.00 C ATOM 0 H PHE A 53 45.316 -1.256 -7.381 1.00 0.00 H new ATOM 0 HA PHE A 53 45.405 -3.659 -9.099 1.00 0.00 H new ATOM 0 HB2 PHE A 53 43.264 -2.333 -8.834 1.00 0.00 H new ATOM 0 HB3 PHE A 53 44.087 -0.944 -9.515 1.00 0.00 H new ATOM 0 HD1 PHE A 53 42.917 -4.380 -10.261 1.00 0.00 H new ATOM 0 HD2 PHE A 53 44.376 -0.716 -11.864 1.00 0.00 H new ATOM 0 HE1 PHE A 53 42.314 -5.129 -12.518 1.00 0.00 H new ATOM 0 HE2 PHE A 53 43.772 -1.462 -14.125 1.00 0.00 H new ATOM 0 HZ PHE A 53 42.739 -3.673 -14.456 1.00 0.00 H new ATOM 799 N CYS A 54 47.114 -2.859 -10.694 1.00 0.00 N ATOM 800 CA CYS A 54 48.196 -2.444 -11.572 1.00 0.00 C ATOM 801 C CYS A 54 47.670 -2.217 -12.982 1.00 0.00 C ATOM 802 O CYS A 54 47.457 -3.177 -13.737 1.00 0.00 O ATOM 803 CB CYS A 54 49.309 -3.503 -11.583 1.00 0.00 C ATOM 804 SG CYS A 54 50.711 -3.127 -12.677 1.00 0.00 S ATOM 0 H CYS A 54 46.846 -3.838 -10.791 1.00 0.00 H new ATOM 0 HA CYS A 54 48.610 -1.508 -11.198 1.00 0.00 H new ATOM 0 HB2 CYS A 54 49.683 -3.627 -10.567 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.879 -4.458 -11.883 1.00 0.00 H new ATOM 809 N GLN A 55 47.431 -0.955 -13.334 1.00 0.00 N ATOM 810 CA GLN A 55 47.002 -0.627 -14.685 1.00 0.00 C ATOM 811 C GLN A 55 48.145 -0.833 -15.658 1.00 0.00 C ATOM 812 O GLN A 55 48.997 0.032 -15.840 1.00 0.00 O ATOM 813 CB GLN A 55 46.472 0.804 -14.782 1.00 0.00 C ATOM 814 CG GLN A 55 45.086 0.964 -14.191 1.00 0.00 C ATOM 815 CD GLN A 55 44.497 2.345 -14.415 1.00 0.00 C ATOM 816 OE1 GLN A 55 44.843 2.967 -15.534 1.00 0.00 O flip ATOM 817 NE2 GLN A 55 43.721 2.842 -13.600 1.00 0.00 N flip ATOM 0 H GLN A 55 47.527 -0.155 -12.709 1.00 0.00 H new ATOM 0 HA GLN A 55 46.182 -1.297 -14.945 1.00 0.00 H new ATOM 0 HB2 GLN A 55 47.160 1.476 -14.268 1.00 0.00 H new ATOM 0 HB3 GLN A 55 46.452 1.108 -15.829 1.00 0.00 H new ATOM 0 HG2 GLN A 55 44.423 0.218 -14.629 1.00 0.00 H new ATOM 0 HG3 GLN A 55 45.129 0.764 -13.120 1.00 0.00 H new ATOM 0 HE21 GLN A 55 43.479 2.333 -12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 55 43.320 3.764 -13.774 1.00 0.00 H new ATOM 826 N HIS A 56 48.144 -2.013 -16.249 1.00 0.00 N ATOM 827 CA HIS A 56 49.155 -2.441 -17.213 1.00 0.00 C ATOM 828 C HIS A 56 48.883 -3.882 -17.613 1.00 0.00 C ATOM 829 O HIS A 56 49.775 -4.595 -18.071 1.00 0.00 O ATOM 830 CB HIS A 56 50.572 -2.341 -16.627 1.00 0.00 C ATOM 831 CG HIS A 56 51.429 -1.289 -17.273 1.00 0.00 C ATOM 832 ND1 HIS A 56 51.925 -1.401 -18.554 1.00 0.00 N ATOM 833 CD2 HIS A 56 51.881 -0.102 -16.803 1.00 0.00 C ATOM 834 CE1 HIS A 56 52.640 -0.332 -18.843 1.00 0.00 C ATOM 835 NE2 HIS A 56 52.628 0.473 -17.799 1.00 0.00 N ATOM 0 H HIS A 56 47.429 -2.719 -16.073 1.00 0.00 H new ATOM 0 HA HIS A 56 49.098 -1.783 -18.080 1.00 0.00 H new ATOM 0 HB2 HIS A 56 50.499 -2.130 -15.560 1.00 0.00 H new ATOM 0 HB3 HIS A 56 51.065 -3.308 -16.728 1.00 0.00 H new ATOM 0 HD2 HIS A 56 51.689 0.314 -15.825 1.00 0.00 H new ATOM 0 HE1 HIS A 56 53.150 -0.147 -19.777 1.00 0.00 H new ATOM 0 HE2 HIS A 56 53.098 1.376 -17.741 1.00 0.00 H new ATOM 844 N GLY A 57 47.637 -4.305 -17.430 1.00 0.00 N ATOM 845 CA GLY A 57 47.266 -5.678 -17.705 1.00 0.00 C ATOM 846 C GLY A 57 47.841 -6.653 -16.692 1.00 0.00 C ATOM 847 O GLY A 57 48.156 -7.792 -17.033 1.00 0.00 O ATOM 0 H GLY A 57 46.874 -3.717 -17.094 1.00 0.00 H new ATOM 0 HA2 GLY A 57 46.179 -5.763 -17.709 1.00 0.00 H new ATOM 0 HA3 GLY A 57 47.611 -5.951 -18.702 1.00 0.00 H new ATOM 851 N HIS A 58 48.002 -6.209 -15.447 1.00 0.00 N ATOM 852 CA HIS A 58 48.564 -7.069 -14.403 1.00 0.00 C ATOM 853 C HIS A 58 47.522 -7.380 -13.335 1.00 0.00 C ATOM 854 O HIS A 58 47.738 -8.234 -12.475 1.00 0.00 O ATOM 855 CB HIS A 58 49.807 -6.429 -13.763 1.00 0.00 C ATOM 856 CG HIS A 58 50.926 -6.196 -14.735 1.00 0.00 C ATOM 857 ND1 HIS A 58 51.938 -5.265 -14.535 1.00 0.00 N ATOM 858 CD2 HIS A 58 51.171 -6.761 -15.943 1.00 0.00 C ATOM 859 CE1 HIS A 58 52.738 -5.277 -15.597 1.00 0.00 C ATOM 860 NE2 HIS A 58 52.294 -6.171 -16.451 1.00 0.00 N ATOM 0 H HIS A 58 47.755 -5.269 -15.137 1.00 0.00 H new ATOM 0 HA HIS A 58 48.867 -8.003 -14.875 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.525 -5.478 -13.311 1.00 0.00 H new ATOM 0 HB3 HIS A 58 50.163 -7.071 -12.958 1.00 0.00 H new ATOM 0 HD2 HIS A 58 50.586 -7.535 -16.417 1.00 0.00 H new ATOM 0 HE1 HIS A 58 53.609 -4.654 -15.735 1.00 0.00 H new ATOM 0 HE2 HIS A 58 52.720 -6.390 -17.351 1.00 0.00 H new ATOM 868 N GLY A 59 46.397 -6.679 -13.394 1.00 0.00 N ATOM 869 CA GLY A 59 45.303 -6.950 -12.482 1.00 0.00 C ATOM 870 C GLY A 59 45.601 -6.531 -11.056 1.00 0.00 C ATOM 871 O GLY A 59 46.243 -5.502 -10.824 1.00 0.00 O ATOM 0 H GLY A 59 46.223 -5.926 -14.059 1.00 0.00 H new ATOM 0 HA2 GLY A 59 44.411 -6.429 -12.829 1.00 0.00 H new ATOM 0 HA3 GLY A 59 45.077 -8.016 -12.502 1.00 0.00 H new ATOM 875 N LEU A 60 45.138 -7.332 -10.106 1.00 0.00 N ATOM 876 CA LEU A 60 45.303 -7.031 -8.691 1.00 0.00 C ATOM 877 C LEU A 60 46.563 -7.683 -8.140 1.00 0.00 C ATOM 878 O LEU A 60 46.832 -8.859 -8.398 1.00 0.00 O ATOM 879 CB LEU A 60 44.080 -7.513 -7.902 1.00 0.00 C ATOM 880 CG LEU A 60 42.763 -6.826 -8.264 1.00 0.00 C ATOM 881 CD1 LEU A 60 41.605 -7.472 -7.520 1.00 0.00 C ATOM 882 CD2 LEU A 60 42.834 -5.341 -7.944 1.00 0.00 C ATOM 0 H LEU A 60 44.641 -8.203 -10.293 1.00 0.00 H new ATOM 0 HA LEU A 60 45.398 -5.951 -8.583 1.00 0.00 H new ATOM 0 HB2 LEU A 60 43.967 -8.586 -8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 60 44.270 -7.363 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 60 42.596 -6.943 -9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 60 40.675 -6.971 -7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 60 41.541 -8.526 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 60 41.768 -7.383 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 60 41.889 -4.866 -8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.023 -5.207 -6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 60 43.641 -4.884 -8.516 1.00 0.00 H new ATOM 894 N ILE A 61 47.325 -6.916 -7.379 1.00 0.00 N ATOM 895 CA ILE A 61 48.559 -7.405 -6.789 1.00 0.00 C ATOM 896 C ILE A 61 48.379 -7.619 -5.288 1.00 0.00 C ATOM 897 O ILE A 61 48.026 -6.690 -4.561 1.00 0.00 O ATOM 898 CB ILE A 61 49.724 -6.416 -7.026 1.00 0.00 C ATOM 899 CG1 ILE A 61 49.896 -6.131 -8.523 1.00 0.00 C ATOM 900 CG2 ILE A 61 51.019 -6.960 -6.434 1.00 0.00 C ATOM 901 CD1 ILE A 61 50.279 -7.343 -9.341 1.00 0.00 C ATOM 0 H ILE A 61 47.108 -5.945 -7.154 1.00 0.00 H new ATOM 0 HA ILE A 61 48.802 -8.353 -7.269 1.00 0.00 H new ATOM 0 HB ILE A 61 49.483 -5.479 -6.524 1.00 0.00 H new ATOM 0 HG12 ILE A 61 48.964 -5.722 -8.914 1.00 0.00 H new ATOM 0 HG13 ILE A 61 50.659 -5.364 -8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 61 51.827 -6.250 -6.611 1.00 0.00 H new ATOM 0 HG22 ILE A 61 50.895 -7.108 -5.361 1.00 0.00 H new ATOM 0 HG23 ILE A 61 51.263 -7.912 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 61 50.381 -7.058 -10.388 1.00 0.00 H new ATOM 0 HD12 ILE A 61 51.227 -7.741 -8.979 1.00 0.00 H new ATOM 0 HD13 ILE A 61 49.505 -8.105 -9.246 1.00 0.00 H new ATOM 913 N SER A 62 48.583 -8.851 -4.836 1.00 0.00 N ATOM 914 CA SER A 62 48.539 -9.165 -3.414 1.00 0.00 C ATOM 915 C SER A 62 49.623 -8.392 -2.668 1.00 0.00 C ATOM 916 O SER A 62 50.703 -8.152 -3.212 1.00 0.00 O ATOM 917 CB SER A 62 48.729 -10.665 -3.206 1.00 0.00 C ATOM 918 OG SER A 62 47.746 -11.404 -3.913 1.00 0.00 O ATOM 0 H SER A 62 48.781 -9.651 -5.437 1.00 0.00 H new ATOM 0 HA SER A 62 47.566 -8.872 -3.019 1.00 0.00 H new ATOM 0 HB2 SER A 62 49.723 -10.960 -3.543 1.00 0.00 H new ATOM 0 HB3 SER A 62 48.670 -10.899 -2.143 1.00 0.00 H new ATOM 0 HG SER A 62 47.889 -12.362 -3.766 1.00 0.00 H new ATOM 924 N LYS A 63 49.350 -8.033 -1.417 1.00 0.00 N ATOM 925 CA LYS A 63 50.235 -7.146 -0.664 1.00 0.00 C ATOM 926 C LYS A 63 51.553 -7.825 -0.273 1.00 0.00 C ATOM 927 O LYS A 63 52.399 -7.215 0.377 1.00 0.00 O ATOM 928 CB LYS A 63 49.525 -6.598 0.578 1.00 0.00 C ATOM 929 CG LYS A 63 49.253 -7.633 1.656 1.00 0.00 C ATOM 930 CD LYS A 63 48.465 -7.028 2.807 1.00 0.00 C ATOM 931 CE LYS A 63 48.428 -7.948 4.017 1.00 0.00 C ATOM 932 NZ LYS A 63 49.763 -8.072 4.663 1.00 0.00 N ATOM 0 H LYS A 63 48.525 -8.341 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 63 50.486 -6.316 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 63 50.131 -5.799 1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 63 48.578 -6.152 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 63 48.698 -8.469 1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 50.197 -8.033 2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 63 48.911 -6.074 3.090 1.00 0.00 H new ATOM 0 HD3 LYS A 63 47.447 -6.819 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 63 47.709 -7.566 4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 63 48.080 -8.935 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 49.652 -8.473 5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 50.368 -8.697 4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 50.204 -7.133 4.732 1.00 0.00 H new ATOM 946 N LYS A 64 51.726 -9.085 -0.657 1.00 0.00 N ATOM 947 CA LYS A 64 53.013 -9.753 -0.482 1.00 0.00 C ATOM 948 C LYS A 64 53.940 -9.387 -1.632 1.00 0.00 C ATOM 949 O LYS A 64 55.161 -9.324 -1.478 1.00 0.00 O ATOM 950 CB LYS A 64 52.871 -11.275 -0.455 1.00 0.00 C ATOM 951 CG LYS A 64 51.937 -11.817 0.608 1.00 0.00 C ATOM 952 CD LYS A 64 52.107 -13.322 0.741 1.00 0.00 C ATOM 953 CE LYS A 64 50.959 -13.964 1.499 1.00 0.00 C ATOM 954 NZ LYS A 64 49.679 -13.861 0.750 1.00 0.00 N ATOM 0 H LYS A 64 51.001 -9.660 -1.087 1.00 0.00 H new ATOM 0 HA LYS A 64 53.419 -9.421 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 64 52.518 -11.608 -1.431 1.00 0.00 H new ATOM 0 HB3 LYS A 64 53.858 -11.713 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 64 52.143 -11.335 1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 64 50.905 -11.582 0.349 1.00 0.00 H new ATOM 0 HD2 LYS A 64 52.179 -13.767 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 64 53.044 -13.536 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 64 51.188 -15.013 1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 64 50.851 -13.483 2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 49.011 -14.574 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 49.275 -12.912 0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 49.855 -14.024 -0.262 1.00 0.00 H new ATOM 968 N ARG A 65 53.341 -9.138 -2.787 1.00 0.00 N ATOM 969 CA ARG A 65 54.094 -8.935 -4.012 1.00 0.00 C ATOM 970 C ARG A 65 54.163 -7.455 -4.368 1.00 0.00 C ATOM 971 O ARG A 65 54.535 -7.091 -5.478 1.00 0.00 O ATOM 972 CB ARG A 65 53.458 -9.737 -5.151 1.00 0.00 C ATOM 973 CG ARG A 65 53.404 -11.234 -4.876 1.00 0.00 C ATOM 974 CD ARG A 65 53.038 -12.028 -6.122 1.00 0.00 C ATOM 975 NE ARG A 65 51.722 -11.677 -6.653 1.00 0.00 N ATOM 976 CZ ARG A 65 51.515 -11.245 -7.897 1.00 0.00 C ATOM 977 NH1 ARG A 65 52.536 -11.108 -8.733 1.00 0.00 N ATOM 978 NH2 ARG A 65 50.287 -10.961 -8.313 1.00 0.00 N ATOM 0 H ARG A 65 52.329 -9.072 -2.900 1.00 0.00 H new ATOM 0 HA ARG A 65 55.114 -9.288 -3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 65 52.446 -9.370 -5.324 1.00 0.00 H new ATOM 0 HB3 ARG A 65 54.022 -9.563 -6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 65 54.372 -11.570 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 65 52.674 -11.433 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 65 53.792 -11.857 -6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 65 53.058 -13.092 -5.888 1.00 0.00 H new ATOM 0 HE ARG A 65 50.915 -11.768 -6.036 1.00 0.00 H new ATOM 0 HH11 ARG A 65 53.482 -11.333 -8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 65 52.375 -10.777 -9.684 1.00 0.00 H new ATOM 0 HH21 ARG A 65 49.495 -11.073 -7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 65 50.135 -10.631 -9.266 1.00 0.00 H new ATOM 992 N VAL A 66 53.805 -6.609 -3.415 1.00 0.00 N ATOM 993 CA VAL A 66 53.911 -5.169 -3.593 1.00 0.00 C ATOM 994 C VAL A 66 55.303 -4.701 -3.185 1.00 0.00 C ATOM 995 O VAL A 66 55.776 -5.024 -2.094 1.00 0.00 O ATOM 996 CB VAL A 66 52.851 -4.409 -2.764 1.00 0.00 C ATOM 997 CG1 VAL A 66 52.978 -2.906 -2.966 1.00 0.00 C ATOM 998 CG2 VAL A 66 51.451 -4.879 -3.125 1.00 0.00 C ATOM 0 H VAL A 66 53.437 -6.896 -2.508 1.00 0.00 H new ATOM 0 HA VAL A 66 53.735 -4.952 -4.647 1.00 0.00 H new ATOM 0 HB VAL A 66 53.027 -4.626 -1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 66 52.221 -2.394 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 66 53.969 -2.579 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 66 52.835 -2.667 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 66 50.719 -4.332 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 66 51.268 -4.697 -4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 66 51.361 -5.946 -2.920 1.00 0.00 H new ATOM 1008 N GLU A 67 55.959 -3.956 -4.060 1.00 0.00 N ATOM 1009 CA GLU A 67 57.303 -3.480 -3.783 1.00 0.00 C ATOM 1010 C GLU A 67 57.243 -2.100 -3.140 1.00 0.00 C ATOM 1011 O GLU A 67 56.954 -1.102 -3.804 1.00 0.00 O ATOM 1012 CB GLU A 67 58.137 -3.446 -5.068 1.00 0.00 C ATOM 1013 CG GLU A 67 59.620 -3.206 -4.829 1.00 0.00 C ATOM 1014 CD GLU A 67 60.445 -3.338 -6.093 1.00 0.00 C ATOM 1015 OE1 GLU A 67 60.590 -4.473 -6.600 1.00 0.00 O ATOM 1016 OE2 GLU A 67 60.970 -2.313 -6.582 1.00 0.00 O ATOM 0 H GLU A 67 55.584 -3.669 -4.964 1.00 0.00 H new ATOM 0 HA GLU A 67 57.784 -4.167 -3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 67 58.012 -4.391 -5.597 1.00 0.00 H new ATOM 0 HB3 GLU A 67 57.752 -2.662 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU A 67 59.760 -2.209 -4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 67 59.984 -3.916 -4.087 1.00 0.00 H new ATOM 1023 N PHE A 68 57.488 -2.057 -1.839 1.00 0.00 N ATOM 1024 CA PHE A 68 57.440 -0.809 -1.092 1.00 0.00 C ATOM 1025 C PHE A 68 58.795 -0.119 -1.108 1.00 0.00 C ATOM 1026 O PHE A 68 59.781 -0.642 -0.586 1.00 0.00 O ATOM 1027 CB PHE A 68 57.007 -1.061 0.355 1.00 0.00 C ATOM 1028 CG PHE A 68 55.612 -1.602 0.493 1.00 0.00 C ATOM 1029 CD1 PHE A 68 54.518 -0.752 0.457 1.00 0.00 C ATOM 1030 CD2 PHE A 68 55.394 -2.961 0.659 1.00 0.00 C ATOM 1031 CE1 PHE A 68 53.234 -1.248 0.585 1.00 0.00 C ATOM 1032 CE2 PHE A 68 54.113 -3.462 0.788 1.00 0.00 C ATOM 1033 CZ PHE A 68 53.031 -2.604 0.752 1.00 0.00 C ATOM 0 H PHE A 68 57.723 -2.875 -1.277 1.00 0.00 H new ATOM 0 HA PHE A 68 56.708 -0.160 -1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 68 57.704 -1.762 0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 68 57.080 -0.127 0.913 1.00 0.00 H new ATOM 0 HD1 PHE A 68 54.670 0.309 0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 68 56.236 -3.637 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 68 52.390 -0.575 0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 68 53.958 -4.523 0.917 1.00 0.00 H new ATOM 0 HZ PHE A 68 52.029 -2.993 0.854 1.00 0.00 H new ATOM 1043 N VAL A 69 58.843 1.050 -1.723 1.00 0.00 N ATOM 1044 CA VAL A 69 60.069 1.835 -1.766 1.00 0.00 C ATOM 1045 C VAL A 69 59.897 3.122 -0.969 1.00 0.00 C ATOM 1046 O VAL A 69 58.780 3.607 -0.810 1.00 0.00 O ATOM 1047 CB VAL A 69 60.491 2.168 -3.214 1.00 0.00 C ATOM 1048 CG1 VAL A 69 60.774 0.895 -3.995 1.00 0.00 C ATOM 1049 CG2 VAL A 69 59.426 2.996 -3.914 1.00 0.00 C ATOM 0 H VAL A 69 58.049 1.478 -2.200 1.00 0.00 H new ATOM 0 HA VAL A 69 60.859 1.231 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 69 61.406 2.758 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 69 61.070 1.151 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 69 61.579 0.343 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.876 0.278 -4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 69 59.748 3.217 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 69 58.491 2.437 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 69 59.275 3.929 -3.371 1.00 0.00 H new ATOM 1059 N LEU A 70 60.992 3.664 -0.456 1.00 0.00 N ATOM 1060 CA LEU A 70 60.933 4.873 0.360 1.00 0.00 C ATOM 1061 C LEU A 70 60.499 6.067 -0.486 1.00 0.00 C ATOM 1062 O LEU A 70 61.064 6.322 -1.553 1.00 0.00 O ATOM 1063 CB LEU A 70 62.285 5.158 1.031 1.00 0.00 C ATOM 1064 CG LEU A 70 62.675 4.215 2.179 1.00 0.00 C ATOM 1065 CD1 LEU A 70 63.025 2.828 1.665 1.00 0.00 C ATOM 1066 CD2 LEU A 70 63.840 4.791 2.967 1.00 0.00 C ATOM 0 H LEU A 70 61.931 3.289 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 70 60.194 4.711 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 70 63.063 5.113 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 70 62.271 6.179 1.413 1.00 0.00 H new ATOM 0 HG LEU A 70 61.812 4.122 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 70 63.296 2.187 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 70 62.165 2.404 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 70 63.866 2.897 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 70 64.104 4.110 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 70 64.698 4.919 2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 70 63.555 5.757 3.384 1.00 0.00 H new ATOM 1078 N ALA A 71 59.486 6.779 -0.010 1.00 0.00 N ATOM 1079 CA ALA A 71 58.929 7.912 -0.735 1.00 0.00 C ATOM 1080 C ALA A 71 59.702 9.191 -0.431 1.00 0.00 C ATOM 1081 O ALA A 71 60.313 9.751 -1.364 1.00 0.00 O ATOM 1082 CB ALA A 71 57.455 8.084 -0.396 1.00 0.00 C ATOM 1083 OXT ALA A 71 59.695 9.632 0.739 1.00 0.00 O ATOM 0 H ALA A 71 59.031 6.589 0.883 1.00 0.00 H new ATOM 0 HA ALA A 71 59.020 7.711 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 71 57.052 8.935 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 71 56.910 7.182 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 71 57.346 8.259 0.674 1.00 0.00 H new TER 1089 ALA A 71 HETATM 1090 ZN ZN A 150 64.700 7.976 11.355 1.00 0.00 ZN HETATM 1091 ZN ZN A 200 52.844 -4.265 -12.910 1.00 0.00 ZN