USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 SER OG : rot 159:sc= 2.31 USER MOD Set 1.2: A 55 SER OG : rot -85:sc= 1.16 USER MOD Set 2.1: A 29 SER OG : rot 168:sc= 0.892 USER MOD Set 2.2: A 36 HIS : no HE2:sc= 2.1 K(o=3,f=-8.7!) USER MOD Set 3.1: A 28 TYR OH : rot -18:sc= 0.237 USER MOD Set 3.2: A 33 GLN : amide:sc= -1.03 K(o=0.29,f=-4.9!) USER MOD Set 3.3: A 65 HIS : no HE2:sc= 1.08 K(o=0.29,f=-8.7!) USER MOD Single : A 1 GLU N :NH3+ -142:sc= 0.836 (180deg=-0.109!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 34 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.1) USER MOD Single : A 40 TYR OH : rot -47:sc= 1.28 USER MOD Single : A 46 ASN : amide:sc= -0.395 K(o=-0.4,f=-2.7!) USER MOD Single : A 48 ASN : amide:sc= 2.53 K(o=2.5,f=-7.2!) USER MOD Single : A 49 ASN : amide:sc= 0.631 K(o=0.63,f=-12!) USER MOD Single : A 51 HIS : no HE2:sc= -0.704 K(o=-0.7,f=-1.3) USER MOD Single : A 66 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-1.9!) USER MOD Single : A 67 HIS : no HE2:sc= -2.71 K(o=-2.7,f=-3.6) USER MOD Single : A 68 HIS : no HE2:sc= 1.21 K(o=1.2,f=-4.4!) USER MOD Single : A 69 HIS : no HE2:sc= 0.403 K(o=0.4,f=-4.3!) USER MOD Single : A 70 HIS : no HE2:sc= 0.0509 K(o=0.051,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -7.817 -0.345 -10.505 1.00 1.00 N ATOM 2 CA GLU A 1 -7.185 -1.615 -10.129 1.00 1.00 C ATOM 3 C GLU A 1 -8.208 -2.736 -10.269 1.00 1.00 C ATOM 4 O GLU A 1 -8.962 -2.751 -11.241 1.00 1.00 O ATOM 5 CB GLU A 1 -6.488 -1.513 -8.765 1.00 1.00 C ATOM 6 CG GLU A 1 -5.479 -0.353 -8.628 1.00 1.00 C ATOM 7 CD GLU A 1 -4.543 -0.247 -9.830 1.00 1.00 C ATOM 8 OE1 GLU A 1 -5.081 0.166 -10.882 1.00 1.00 O ATOM 9 OE2 GLU A 1 -3.352 -0.622 -9.715 1.00 1.00 O ATOM 0 H1 GLU A 1 -7.134 0.243 -11.024 1.00 1.00 H new ATOM 0 H2 GLU A 1 -8.642 -0.533 -11.110 1.00 1.00 H new ATOM 0 H3 GLU A 1 -8.124 0.157 -9.648 1.00 1.00 H new ATOM 0 HA GLU A 1 -6.370 -1.862 -10.809 1.00 1.00 H new ATOM 0 HB2 GLU A 1 -7.250 -1.404 -7.993 1.00 1.00 H new ATOM 0 HB3 GLU A 1 -5.968 -2.451 -8.570 1.00 1.00 H new ATOM 0 HG2 GLU A 1 -6.022 0.585 -8.511 1.00 1.00 H new ATOM 0 HG3 GLU A 1 -4.888 -0.495 -7.723 1.00 1.00 H new ATOM 18 N ALA A 2 -8.167 -3.719 -9.370 1.00 1.00 N ATOM 19 CA ALA A 2 -9.093 -4.844 -9.280 1.00 1.00 C ATOM 20 C ALA A 2 -10.025 -4.692 -8.065 1.00 1.00 C ATOM 21 O ALA A 2 -10.347 -5.678 -7.405 1.00 1.00 O ATOM 22 CB ALA A 2 -8.285 -6.150 -9.238 1.00 1.00 C ATOM 0 H ALA A 2 -7.448 -3.752 -8.647 1.00 1.00 H new ATOM 0 HA ALA A 2 -9.738 -4.866 -10.158 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -8.967 -6.998 -9.171 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -7.686 -6.237 -10.145 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -7.628 -6.143 -8.369 1.00 1.00 H new ATOM 28 N GLU A 3 -10.454 -3.466 -7.749 1.00 1.00 N ATOM 29 CA GLU A 3 -11.238 -3.099 -6.565 1.00 1.00 C ATOM 30 C GLU A 3 -12.529 -3.924 -6.416 1.00 1.00 C ATOM 31 O GLU A 3 -13.039 -4.063 -5.302 1.00 1.00 O ATOM 32 CB GLU A 3 -11.560 -1.586 -6.560 1.00 1.00 C ATOM 33 CG GLU A 3 -10.353 -0.617 -6.546 1.00 1.00 C ATOM 34 CD GLU A 3 -9.748 -0.297 -7.926 1.00 1.00 C ATOM 35 OE1 GLU A 3 -10.035 -1.010 -8.909 1.00 1.00 O ATOM 36 OE2 GLU A 3 -8.914 0.625 -8.050 1.00 1.00 O ATOM 0 H GLU A 3 -10.254 -2.661 -8.343 1.00 1.00 H new ATOM 0 HA GLU A 3 -10.613 -3.333 -5.703 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -12.164 -1.364 -7.440 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -12.177 -1.373 -5.687 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -10.664 0.317 -6.079 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -9.573 -1.044 -5.916 1.00 1.00 H new ATOM 43 N ALA A 4 -13.052 -4.476 -7.520 1.00 1.00 N ATOM 44 CA ALA A 4 -14.220 -5.353 -7.549 1.00 1.00 C ATOM 45 C ALA A 4 -13.990 -6.683 -6.814 1.00 1.00 C ATOM 46 O ALA A 4 -14.960 -7.310 -6.371 1.00 1.00 O ATOM 47 CB ALA A 4 -14.614 -5.621 -9.007 1.00 1.00 C ATOM 0 H ALA A 4 -12.656 -4.316 -8.446 1.00 1.00 H new ATOM 0 HA ALA A 4 -15.026 -4.841 -7.023 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -15.485 -6.275 -9.034 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -14.853 -4.678 -9.499 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -13.784 -6.101 -9.526 1.00 1.00 H new ATOM 53 N GLU A 5 -12.740 -7.157 -6.722 1.00 1.00 N ATOM 54 CA GLU A 5 -12.430 -8.333 -5.923 1.00 1.00 C ATOM 55 C GLU A 5 -12.570 -7.912 -4.466 1.00 1.00 C ATOM 56 O GLU A 5 -13.373 -8.480 -3.729 1.00 1.00 O ATOM 57 CB GLU A 5 -11.052 -8.943 -6.230 1.00 1.00 C ATOM 58 CG GLU A 5 -11.051 -9.849 -7.475 1.00 1.00 C ATOM 59 CD GLU A 5 -11.994 -11.049 -7.301 1.00 1.00 C ATOM 60 OE1 GLU A 5 -11.813 -11.855 -6.354 1.00 1.00 O ATOM 61 OE2 GLU A 5 -13.016 -11.127 -8.005 1.00 1.00 O ATOM 0 H GLU A 5 -11.936 -6.741 -7.192 1.00 1.00 H new ATOM 0 HA GLU A 5 -13.122 -9.139 -6.167 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -10.330 -8.139 -6.374 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -10.718 -9.521 -5.368 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -11.355 -9.270 -8.347 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -10.039 -10.205 -7.666 1.00 1.00 H new ATOM 68 N PHE A 6 -11.810 -6.918 -4.022 1.00 1.00 N ATOM 69 CA PHE A 6 -11.992 -6.379 -2.691 1.00 1.00 C ATOM 70 C PHE A 6 -11.438 -4.970 -2.706 1.00 1.00 C ATOM 71 O PHE A 6 -10.351 -4.743 -3.242 1.00 1.00 O ATOM 72 CB PHE A 6 -11.276 -7.248 -1.648 1.00 1.00 C ATOM 73 CG PHE A 6 -11.827 -7.064 -0.249 1.00 1.00 C ATOM 74 CD1 PHE A 6 -12.996 -7.757 0.129 1.00 1.00 C ATOM 75 CD2 PHE A 6 -11.195 -6.216 0.679 1.00 1.00 C ATOM 76 CE1 PHE A 6 -13.506 -7.625 1.432 1.00 1.00 C ATOM 77 CE2 PHE A 6 -11.709 -6.078 1.978 1.00 1.00 C ATOM 78 CZ PHE A 6 -12.860 -6.789 2.359 1.00 1.00 C ATOM 0 H PHE A 6 -11.068 -6.475 -4.564 1.00 1.00 H new ATOM 0 HA PHE A 6 -13.047 -6.370 -2.416 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -11.365 -8.296 -1.933 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -10.213 -7.006 -1.649 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -13.501 -8.391 -0.585 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -10.310 -5.668 0.390 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -14.395 -8.166 1.721 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -11.220 -5.425 2.685 1.00 1.00 H new ATOM 0 HZ PHE A 6 -13.247 -6.693 3.363 1.00 1.00 H new ATOM 88 N THR A 7 -12.177 -4.024 -2.140 1.00 1.00 N ATOM 89 CA THR A 7 -11.692 -2.671 -1.977 1.00 1.00 C ATOM 90 C THR A 7 -10.757 -2.754 -0.765 1.00 1.00 C ATOM 91 O THR A 7 -11.188 -2.727 0.385 1.00 1.00 O ATOM 92 CB THR A 7 -12.889 -1.722 -1.828 1.00 1.00 C ATOM 93 OG1 THR A 7 -13.895 -2.059 -2.773 1.00 1.00 O ATOM 94 CG2 THR A 7 -12.481 -0.265 -2.058 1.00 1.00 C ATOM 0 H THR A 7 -13.121 -4.177 -1.786 1.00 1.00 H new ATOM 0 HA THR A 7 -11.140 -2.265 -2.824 1.00 1.00 H new ATOM 0 HB THR A 7 -13.266 -1.830 -0.811 1.00 1.00 H new ATOM 0 HG1 THR A 7 -14.656 -1.450 -2.671 1.00 1.00 H new ATOM 0 HG21 THR A 7 -13.353 0.379 -1.945 1.00 1.00 H new ATOM 0 HG22 THR A 7 -11.722 0.020 -1.329 1.00 1.00 H new ATOM 0 HG23 THR A 7 -12.077 -0.155 -3.064 1.00 1.00 H new ATOM 102 N ASP A 8 -9.474 -2.951 -1.043 1.00 1.00 N ATOM 103 CA ASP A 8 -8.399 -3.192 -0.086 1.00 1.00 C ATOM 104 C ASP A 8 -7.358 -2.110 -0.287 1.00 1.00 C ATOM 105 O ASP A 8 -7.223 -1.626 -1.409 1.00 1.00 O ATOM 106 CB ASP A 8 -7.779 -4.563 -0.383 1.00 1.00 C ATOM 107 CG ASP A 8 -7.023 -5.108 0.817 1.00 1.00 C ATOM 108 OD1 ASP A 8 -6.018 -4.472 1.194 1.00 1.00 O ATOM 109 OD2 ASP A 8 -7.457 -6.161 1.340 1.00 1.00 O ATOM 0 H ASP A 8 -9.134 -2.947 -2.005 1.00 1.00 H new ATOM 0 HA ASP A 8 -8.769 -3.177 0.939 1.00 1.00 H new ATOM 0 HB2 ASP A 8 -8.564 -5.264 -0.668 1.00 1.00 H new ATOM 0 HB3 ASP A 8 -7.102 -4.480 -1.233 1.00 1.00 H new ATOM 114 N ALA A 9 -6.594 -1.749 0.744 1.00 1.00 N ATOM 115 CA ALA A 9 -5.488 -0.816 0.562 1.00 1.00 C ATOM 116 C ALA A 9 -4.505 -1.431 -0.441 1.00 1.00 C ATOM 117 O ALA A 9 -4.014 -0.739 -1.329 1.00 1.00 O ATOM 118 CB ALA A 9 -4.805 -0.517 1.901 1.00 1.00 C ATOM 0 H ALA A 9 -6.719 -2.084 1.699 1.00 1.00 H new ATOM 0 HA ALA A 9 -5.857 0.134 0.175 1.00 1.00 H new ATOM 0 HB1 ALA A 9 -3.983 0.181 1.742 1.00 1.00 H new ATOM 0 HB2 ALA A 9 -5.528 -0.076 2.588 1.00 1.00 H new ATOM 0 HB3 ALA A 9 -4.418 -1.443 2.327 1.00 1.00 H new ATOM 124 N CYS A 10 -4.295 -2.748 -0.355 1.00 1.00 N ATOM 125 CA CYS A 10 -3.419 -3.483 -1.260 1.00 1.00 C ATOM 126 C CYS A 10 -4.004 -3.562 -2.681 1.00 1.00 C ATOM 127 O CYS A 10 -3.297 -3.875 -3.635 1.00 1.00 O ATOM 128 CB CYS A 10 -3.164 -4.866 -0.641 1.00 1.00 C ATOM 129 SG CYS A 10 -2.381 -6.121 -1.687 1.00 1.00 S ATOM 0 H CYS A 10 -4.735 -3.336 0.353 1.00 1.00 H new ATOM 0 HA CYS A 10 -2.469 -2.961 -1.377 1.00 1.00 H new ATOM 0 HB2 CYS A 10 -2.541 -4.729 0.243 1.00 1.00 H new ATOM 0 HB3 CYS A 10 -4.120 -5.262 -0.299 1.00 1.00 H new ATOM 134 N VAL A 11 -5.308 -3.365 -2.856 1.00 1.00 N ATOM 135 CA VAL A 11 -5.933 -3.290 -4.169 1.00 1.00 C ATOM 136 C VAL A 11 -6.112 -1.829 -4.618 1.00 1.00 C ATOM 137 O VAL A 11 -6.483 -1.611 -5.762 1.00 1.00 O ATOM 138 CB VAL A 11 -7.212 -4.156 -4.160 1.00 1.00 C ATOM 139 CG1 VAL A 11 -7.942 -4.196 -5.508 1.00 1.00 C ATOM 140 CG2 VAL A 11 -6.854 -5.624 -3.847 1.00 1.00 C ATOM 0 H VAL A 11 -5.964 -3.252 -2.083 1.00 1.00 H new ATOM 0 HA VAL A 11 -5.288 -3.712 -4.940 1.00 1.00 H new ATOM 0 HB VAL A 11 -7.855 -3.697 -3.409 1.00 1.00 H new ATOM 0 HG11 VAL A 11 -8.829 -4.823 -5.423 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -8.238 -3.186 -5.792 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -7.279 -4.607 -6.269 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -7.762 -6.227 -3.843 1.00 1.00 H new ATOM 0 HG22 VAL A 11 -6.171 -6.002 -4.608 1.00 1.00 H new ATOM 0 HG23 VAL A 11 -6.376 -5.681 -2.869 1.00 1.00 H new ATOM 150 N LEU A 12 -5.825 -0.817 -3.792 1.00 1.00 N ATOM 151 CA LEU A 12 -6.114 0.576 -4.120 1.00 1.00 C ATOM 152 C LEU A 12 -4.867 1.263 -4.679 1.00 1.00 C ATOM 153 O LEU A 12 -3.768 0.996 -4.197 1.00 1.00 O ATOM 154 CB LEU A 12 -6.687 1.217 -2.846 1.00 1.00 C ATOM 155 CG LEU A 12 -6.721 2.745 -2.729 1.00 1.00 C ATOM 156 CD1 LEU A 12 -8.065 3.325 -3.202 1.00 1.00 C ATOM 157 CD2 LEU A 12 -6.522 3.153 -1.268 1.00 1.00 C ATOM 0 H LEU A 12 -5.387 -0.944 -2.880 1.00 1.00 H new ATOM 0 HA LEU A 12 -6.853 0.677 -4.914 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -7.709 0.856 -2.728 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -6.114 0.836 -2.001 1.00 1.00 H new ATOM 0 HG LEU A 12 -5.923 3.136 -3.361 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -8.048 4.410 -3.103 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -8.229 3.059 -4.246 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -8.872 2.918 -2.593 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -6.546 4.240 -1.187 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -7.319 2.726 -0.659 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -5.559 2.785 -0.915 1.00 1.00 H new ATOM 169 N PRO A 13 -5.000 2.156 -5.673 1.00 1.00 N ATOM 170 CA PRO A 13 -3.866 2.861 -6.245 1.00 1.00 C ATOM 171 C PRO A 13 -3.281 3.901 -5.281 1.00 1.00 C ATOM 172 O PRO A 13 -3.878 4.279 -4.271 1.00 1.00 O ATOM 173 CB PRO A 13 -4.375 3.490 -7.544 1.00 1.00 C ATOM 174 CG PRO A 13 -5.902 3.522 -7.420 1.00 1.00 C ATOM 175 CD PRO A 13 -6.251 2.564 -6.282 1.00 1.00 C ATOM 0 HA PRO A 13 -3.039 2.179 -6.441 1.00 1.00 H new ATOM 0 HB2 PRO A 13 -3.972 4.494 -7.677 1.00 1.00 H new ATOM 0 HB3 PRO A 13 -4.065 2.905 -8.410 1.00 1.00 H new ATOM 0 HG2 PRO A 13 -6.255 4.530 -7.204 1.00 1.00 H new ATOM 0 HG3 PRO A 13 -6.376 3.211 -8.351 1.00 1.00 H new ATOM 0 HD2 PRO A 13 -6.895 3.052 -5.551 1.00 1.00 H new ATOM 0 HD3 PRO A 13 -6.796 1.699 -6.660 1.00 1.00 H new ATOM 183 N ALA A 14 -2.090 4.390 -5.625 1.00 1.00 N ATOM 184 CA ALA A 14 -1.384 5.389 -4.834 1.00 1.00 C ATOM 185 C ALA A 14 -2.047 6.753 -5.047 1.00 1.00 C ATOM 186 O ALA A 14 -1.968 7.301 -6.148 1.00 1.00 O ATOM 187 CB ALA A 14 0.088 5.422 -5.264 1.00 1.00 C ATOM 0 H ALA A 14 -1.588 4.101 -6.465 1.00 1.00 H new ATOM 0 HA ALA A 14 -1.430 5.140 -3.774 1.00 1.00 H new ATOM 0 HB1 ALA A 14 0.622 6.168 -4.676 1.00 1.00 H new ATOM 0 HB2 ALA A 14 0.537 4.442 -5.101 1.00 1.00 H new ATOM 0 HB3 ALA A 14 0.153 5.679 -6.321 1.00 1.00 H new ATOM 193 N VAL A 15 -2.668 7.324 -4.013 1.00 1.00 N ATOM 194 CA VAL A 15 -3.246 8.664 -4.088 1.00 1.00 C ATOM 195 C VAL A 15 -2.200 9.650 -3.583 1.00 1.00 C ATOM 196 O VAL A 15 -1.644 9.501 -2.496 1.00 1.00 O ATOM 197 CB VAL A 15 -4.549 8.771 -3.285 1.00 1.00 C ATOM 198 CG1 VAL A 15 -5.241 10.130 -3.466 1.00 1.00 C ATOM 199 CG2 VAL A 15 -5.540 7.667 -3.683 1.00 1.00 C ATOM 0 H VAL A 15 -2.783 6.872 -3.106 1.00 1.00 H new ATOM 0 HA VAL A 15 -3.511 8.892 -5.120 1.00 1.00 H new ATOM 0 HB VAL A 15 -4.263 8.659 -2.239 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -6.158 10.153 -2.877 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -4.575 10.925 -3.131 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -5.483 10.278 -4.519 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -6.453 7.769 -3.097 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -5.777 7.756 -4.743 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -5.094 6.691 -3.492 1.00 1.00 H new ATOM 209 N GLN A 16 -1.951 10.668 -4.393 1.00 1.00 N ATOM 210 CA GLN A 16 -0.974 11.718 -4.116 1.00 1.00 C ATOM 211 C GLN A 16 -1.542 12.804 -3.200 1.00 1.00 C ATOM 212 O GLN A 16 -0.767 13.478 -2.530 1.00 1.00 O ATOM 213 CB GLN A 16 -0.470 12.358 -5.416 1.00 1.00 C ATOM 214 CG GLN A 16 0.255 11.360 -6.327 1.00 1.00 C ATOM 215 CD GLN A 16 1.001 12.099 -7.433 1.00 1.00 C ATOM 216 OE1 GLN A 16 0.455 12.377 -8.490 1.00 1.00 O ATOM 217 NE2 GLN A 16 2.253 12.459 -7.204 1.00 1.00 N ATOM 0 H GLN A 16 -2.433 10.793 -5.283 1.00 1.00 H new ATOM 0 HA GLN A 16 -0.140 11.240 -3.602 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.314 12.788 -5.955 1.00 1.00 H new ATOM 0 HB3 GLN A 16 0.205 13.179 -5.174 1.00 1.00 H new ATOM 0 HG2 GLN A 16 0.956 10.765 -5.741 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -0.464 10.667 -6.764 1.00 1.00 H new ATOM 0 HE21 GLN A 16 2.698 12.221 -6.318 1.00 1.00 H new ATOM 0 HE22 GLN A 16 2.773 12.975 -7.914 1.00 1.00 H new ATOM 226 N GLY A 17 -2.862 12.977 -3.164 1.00 1.00 N ATOM 227 CA GLY A 17 -3.522 14.022 -2.397 1.00 1.00 C ATOM 228 C GLY A 17 -3.555 15.356 -3.159 1.00 1.00 C ATOM 229 O GLY A 17 -2.978 15.462 -4.250 1.00 1.00 O ATOM 0 H GLY A 17 -3.511 12.382 -3.678 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -4.540 13.712 -2.162 1.00 1.00 H new ATOM 0 HA3 GLY A 17 -3.004 14.158 -1.448 1.00 1.00 H new ATOM 233 N PRO A 18 -4.251 16.380 -2.632 1.00 1.00 N ATOM 234 CA PRO A 18 -4.453 17.645 -3.333 1.00 1.00 C ATOM 235 C PRO A 18 -3.292 18.645 -3.211 1.00 1.00 C ATOM 236 O PRO A 18 -3.127 19.473 -4.108 1.00 1.00 O ATOM 237 CB PRO A 18 -5.737 18.223 -2.725 1.00 1.00 C ATOM 238 CG PRO A 18 -5.740 17.689 -1.292 1.00 1.00 C ATOM 239 CD PRO A 18 -5.081 16.315 -1.433 1.00 1.00 C ATOM 0 HA PRO A 18 -4.516 17.464 -4.406 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -5.733 19.313 -2.745 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -6.620 17.898 -3.274 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -5.180 18.338 -0.619 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -6.751 17.612 -0.892 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -4.479 16.081 -0.555 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -5.833 15.531 -1.522 1.00 1.00 H new ATOM 247 N CYS A 19 -2.474 18.597 -2.154 1.00 1.00 N ATOM 248 CA CYS A 19 -1.444 19.611 -1.929 1.00 1.00 C ATOM 249 C CYS A 19 -0.179 19.363 -2.741 1.00 1.00 C ATOM 250 O CYS A 19 0.104 18.254 -3.198 1.00 1.00 O ATOM 251 CB CYS A 19 -1.095 19.733 -0.448 1.00 1.00 C ATOM 252 SG CYS A 19 -2.564 19.841 0.591 1.00 1.00 S ATOM 0 H CYS A 19 -2.507 17.867 -1.443 1.00 1.00 H new ATOM 0 HA CYS A 19 -1.874 20.552 -2.273 1.00 1.00 H new ATOM 0 HB2 CYS A 19 -0.500 18.872 -0.145 1.00 1.00 H new ATOM 0 HB3 CYS A 19 -0.477 20.618 -0.294 1.00 1.00 H new ATOM 257 N ARG A 20 0.592 20.436 -2.913 1.00 1.00 N ATOM 258 CA ARG A 20 1.809 20.510 -3.734 1.00 1.00 C ATOM 259 C ARG A 20 3.109 20.478 -2.932 1.00 1.00 C ATOM 260 O ARG A 20 4.183 20.673 -3.492 1.00 1.00 O ATOM 261 CB ARG A 20 1.723 21.660 -4.746 1.00 1.00 C ATOM 262 CG ARG A 20 0.944 21.410 -6.062 1.00 1.00 C ATOM 263 CD ARG A 20 -0.436 20.726 -6.039 1.00 1.00 C ATOM 264 NE ARG A 20 -0.337 19.277 -5.789 1.00 1.00 N ATOM 265 CZ ARG A 20 -1.226 18.314 -6.069 1.00 1.00 C ATOM 266 NH1 ARG A 20 -2.219 18.513 -6.932 1.00 1.00 N ATOM 267 NH2 ARG A 20 -1.097 17.147 -5.448 1.00 1.00 N ATOM 0 H ARG A 20 0.377 21.325 -2.462 1.00 1.00 H new ATOM 0 HA ARG A 20 1.854 19.586 -4.311 1.00 1.00 H new ATOM 0 HB2 ARG A 20 1.267 22.514 -4.244 1.00 1.00 H new ATOM 0 HB3 ARG A 20 2.740 21.951 -5.009 1.00 1.00 H new ATOM 0 HG2 ARG A 20 0.815 22.377 -6.547 1.00 1.00 H new ATOM 0 HG3 ARG A 20 1.588 20.813 -6.708 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -1.054 21.184 -5.267 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -0.939 20.895 -6.991 1.00 1.00 H new ATOM 0 HE ARG A 20 0.525 18.965 -5.342 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -2.317 19.415 -7.398 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -2.883 17.763 -7.128 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -0.338 17.005 -4.781 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -1.757 16.393 -5.638 1.00 1.00 H new ATOM 281 N GLY A 21 3.004 20.317 -1.618 1.00 1.00 N ATOM 282 CA GLY A 21 4.182 20.108 -0.779 1.00 1.00 C ATOM 283 C GLY A 21 4.521 18.638 -1.099 1.00 1.00 C ATOM 284 O GLY A 21 3.628 17.928 -1.555 1.00 1.00 O ATOM 0 H GLY A 21 2.119 20.327 -1.110 1.00 1.00 H new ATOM 0 HA2 GLY A 21 4.997 20.784 -1.038 1.00 1.00 H new ATOM 0 HA3 GLY A 21 3.966 20.260 0.279 1.00 1.00 H new ATOM 288 N TRP A 22 5.725 18.114 -0.864 1.00 1.00 N ATOM 289 CA TRP A 22 6.056 16.770 -1.303 1.00 1.00 C ATOM 290 C TRP A 22 6.766 16.043 -0.173 1.00 1.00 C ATOM 291 O TRP A 22 7.676 16.568 0.464 1.00 1.00 O ATOM 292 CB TRP A 22 6.900 16.832 -2.581 1.00 1.00 C ATOM 293 CG TRP A 22 6.286 17.523 -3.773 1.00 1.00 C ATOM 294 CD1 TRP A 22 6.905 18.483 -4.496 1.00 1.00 C ATOM 295 CD2 TRP A 22 4.970 17.349 -4.406 1.00 1.00 C ATOM 296 NE1 TRP A 22 6.085 18.908 -5.519 1.00 1.00 N ATOM 297 CE2 TRP A 22 4.883 18.234 -5.522 1.00 1.00 C ATOM 298 CE3 TRP A 22 3.836 16.539 -4.168 1.00 1.00 C ATOM 299 CZ2 TRP A 22 3.755 18.297 -6.358 1.00 1.00 C ATOM 300 CZ3 TRP A 22 2.699 16.585 -4.997 1.00 1.00 C ATOM 301 CH2 TRP A 22 2.660 17.456 -6.100 1.00 1.00 C ATOM 0 H TRP A 22 6.477 18.600 -0.376 1.00 1.00 H new ATOM 0 HA TRP A 22 5.152 16.212 -1.546 1.00 1.00 H new ATOM 0 HB2 TRP A 22 7.838 17.334 -2.344 1.00 1.00 H new ATOM 0 HB3 TRP A 22 7.150 15.812 -2.872 1.00 1.00 H new ATOM 0 HD1 TRP A 22 7.897 18.862 -4.300 1.00 1.00 H new ATOM 0 HE1 TRP A 22 6.337 19.632 -6.191 1.00 1.00 H new ATOM 0 HE3 TRP A 22 3.842 15.864 -3.325 1.00 1.00 H new ATOM 0 HZ2 TRP A 22 3.730 18.985 -7.190 1.00 1.00 H new ATOM 0 HZ3 TRP A 22 1.853 15.948 -4.785 1.00 1.00 H new ATOM 0 HH2 TRP A 22 1.794 17.478 -6.745 1.00 1.00 H new ATOM 312 N GLU A 23 6.302 14.827 0.039 1.00 1.00 N ATOM 313 CA GLU A 23 6.627 13.872 1.086 1.00 1.00 C ATOM 314 C GLU A 23 6.842 12.497 0.399 1.00 1.00 C ATOM 315 O GLU A 23 5.903 11.980 -0.214 1.00 1.00 O ATOM 316 CB GLU A 23 5.446 13.936 2.084 1.00 1.00 C ATOM 317 CG GLU A 23 5.231 12.753 3.027 1.00 1.00 C ATOM 318 CD GLU A 23 6.245 12.534 4.139 1.00 1.00 C ATOM 319 OE1 GLU A 23 7.457 12.629 3.879 1.00 1.00 O ATOM 320 OE2 GLU A 23 5.802 12.019 5.197 1.00 1.00 O ATOM 0 H GLU A 23 5.604 14.437 -0.594 1.00 1.00 H new ATOM 0 HA GLU A 23 7.541 14.074 1.644 1.00 1.00 H new ATOM 0 HB2 GLU A 23 5.575 14.829 2.695 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.531 14.073 1.508 1.00 1.00 H new ATOM 0 HG2 GLU A 23 4.250 12.867 3.487 1.00 1.00 H new ATOM 0 HG3 GLU A 23 5.196 11.846 2.423 1.00 1.00 H new ATOM 327 N PRO A 24 8.058 11.911 0.405 1.00 1.00 N ATOM 328 CA PRO A 24 8.345 10.586 -0.161 1.00 1.00 C ATOM 329 C PRO A 24 7.680 9.497 0.678 1.00 1.00 C ATOM 330 O PRO A 24 8.010 9.250 1.848 1.00 1.00 O ATOM 331 CB PRO A 24 9.872 10.465 -0.173 1.00 1.00 C ATOM 332 CG PRO A 24 10.313 11.360 0.983 1.00 1.00 C ATOM 333 CD PRO A 24 9.271 12.476 0.984 1.00 1.00 C ATOM 0 HA PRO A 24 7.947 10.467 -1.169 1.00 1.00 H new ATOM 0 HB2 PRO A 24 10.193 9.434 -0.027 1.00 1.00 H new ATOM 0 HB3 PRO A 24 10.293 10.799 -1.121 1.00 1.00 H new ATOM 0 HG2 PRO A 24 10.323 10.819 1.929 1.00 1.00 H new ATOM 0 HG3 PRO A 24 11.319 11.750 0.828 1.00 1.00 H new ATOM 0 HD2 PRO A 24 9.087 12.834 1.997 1.00 1.00 H new ATOM 0 HD3 PRO A 24 9.617 13.330 0.402 1.00 1.00 H new ATOM 341 N ARG A 25 6.744 8.813 0.034 1.00 1.00 N ATOM 342 CA ARG A 25 6.039 7.667 0.573 1.00 1.00 C ATOM 343 C ARG A 25 6.304 6.465 -0.318 1.00 1.00 C ATOM 344 O ARG A 25 7.083 6.536 -1.265 1.00 1.00 O ATOM 345 CB ARG A 25 4.544 8.009 0.714 1.00 1.00 C ATOM 346 CG ARG A 25 4.280 9.107 1.751 1.00 1.00 C ATOM 347 CD ARG A 25 4.628 8.710 3.193 1.00 1.00 C ATOM 348 NE ARG A 25 4.369 9.799 4.155 1.00 1.00 N ATOM 349 CZ ARG A 25 3.268 10.056 4.869 1.00 1.00 C ATOM 350 NH1 ARG A 25 2.185 9.297 4.778 1.00 1.00 N ATOM 351 NH2 ARG A 25 3.276 11.106 5.684 1.00 1.00 N ATOM 0 H ARG A 25 6.447 9.053 -0.912 1.00 1.00 H new ATOM 0 HA ARG A 25 6.396 7.412 1.571 1.00 1.00 H new ATOM 0 HB2 ARG A 25 4.156 8.329 -0.253 1.00 1.00 H new ATOM 0 HB3 ARG A 25 3.996 7.110 0.996 1.00 1.00 H new ATOM 0 HG2 ARG A 25 4.856 9.992 1.481 1.00 1.00 H new ATOM 0 HG3 ARG A 25 3.227 9.386 1.707 1.00 1.00 H new ATOM 0 HD2 ARG A 25 4.046 7.833 3.476 1.00 1.00 H new ATOM 0 HD3 ARG A 25 5.679 8.425 3.245 1.00 1.00 H new ATOM 0 HE ARG A 25 5.142 10.450 4.296 1.00 1.00 H new ATOM 0 HH11 ARG A 25 2.177 8.493 4.151 1.00 1.00 H new ATOM 0 HH12 ARG A 25 1.359 9.517 5.335 1.00 1.00 H new ATOM 0 HH21 ARG A 25 4.108 11.692 5.753 1.00 1.00 H new ATOM 0 HH22 ARG A 25 2.450 11.326 6.241 1.00 1.00 H new ATOM 365 N TRP A 26 5.675 5.354 0.013 1.00 1.00 N ATOM 366 CA TRP A 26 5.671 4.082 -0.670 1.00 1.00 C ATOM 367 C TRP A 26 4.208 3.661 -0.746 1.00 1.00 C ATOM 368 O TRP A 26 3.447 3.954 0.173 1.00 1.00 O ATOM 369 CB TRP A 26 6.511 3.084 0.139 1.00 1.00 C ATOM 370 CG TRP A 26 7.992 3.185 -0.034 1.00 1.00 C ATOM 371 CD1 TRP A 26 8.811 4.097 0.532 1.00 1.00 C ATOM 372 CD2 TRP A 26 8.841 2.363 -0.872 1.00 1.00 C ATOM 373 NE1 TRP A 26 10.115 3.850 0.152 1.00 1.00 N ATOM 374 CE2 TRP A 26 10.180 2.839 -0.785 1.00 1.00 C ATOM 375 CE3 TRP A 26 8.591 1.275 -1.724 1.00 1.00 C ATOM 376 CZ2 TRP A 26 11.221 2.269 -1.534 1.00 1.00 C ATOM 377 CZ3 TRP A 26 9.586 0.818 -2.599 1.00 1.00 C ATOM 378 CH2 TRP A 26 10.908 1.263 -2.466 1.00 1.00 C ATOM 0 H TRP A 26 5.097 5.321 0.853 1.00 1.00 H new ATOM 0 HA TRP A 26 6.102 4.130 -1.670 1.00 1.00 H new ATOM 0 HB2 TRP A 26 6.278 3.216 1.196 1.00 1.00 H new ATOM 0 HB3 TRP A 26 6.201 2.075 -0.132 1.00 1.00 H new ATOM 0 HD1 TRP A 26 8.494 4.898 1.183 1.00 1.00 H new ATOM 0 HE1 TRP A 26 10.926 4.350 0.517 1.00 1.00 H new ATOM 0 HE3 TRP A 26 7.627 0.788 -1.705 1.00 1.00 H new ATOM 0 HZ2 TRP A 26 12.241 2.596 -1.398 1.00 1.00 H new ATOM 0 HZ3 TRP A 26 9.332 0.118 -3.381 1.00 1.00 H new ATOM 0 HH2 TRP A 26 11.687 0.834 -3.079 1.00 1.00 H new ATOM 389 N ALA A 27 3.795 3.021 -1.834 1.00 1.00 N ATOM 390 CA ALA A 27 2.458 2.458 -1.965 1.00 1.00 C ATOM 391 C ALA A 27 2.568 1.183 -2.778 1.00 1.00 C ATOM 392 O ALA A 27 3.433 1.070 -3.660 1.00 1.00 O ATOM 393 CB ALA A 27 1.496 3.432 -2.652 1.00 1.00 C ATOM 0 H ALA A 27 4.383 2.878 -2.655 1.00 1.00 H new ATOM 0 HA ALA A 27 2.056 2.257 -0.972 1.00 1.00 H new ATOM 0 HB1 ALA A 27 0.510 2.975 -2.731 1.00 1.00 H new ATOM 0 HB2 ALA A 27 1.425 4.348 -2.066 1.00 1.00 H new ATOM 0 HB3 ALA A 27 1.867 3.667 -3.649 1.00 1.00 H new ATOM 399 N TYR A 28 1.675 0.244 -2.493 1.00 1.00 N ATOM 400 CA TYR A 28 1.559 -0.986 -3.242 1.00 1.00 C ATOM 401 C TYR A 28 0.817 -0.718 -4.546 1.00 1.00 C ATOM 402 O TYR A 28 -0.110 0.085 -4.591 1.00 1.00 O ATOM 403 CB TYR A 28 0.832 -2.037 -2.403 1.00 1.00 C ATOM 404 CG TYR A 28 0.758 -3.359 -3.131 1.00 1.00 C ATOM 405 CD1 TYR A 28 1.814 -4.285 -3.075 1.00 1.00 C ATOM 406 CD2 TYR A 28 -0.359 -3.628 -3.930 1.00 1.00 C ATOM 407 CE1 TYR A 28 1.739 -5.487 -3.797 1.00 1.00 C ATOM 408 CE2 TYR A 28 -0.455 -4.836 -4.630 1.00 1.00 C ATOM 409 CZ TYR A 28 0.600 -5.767 -4.574 1.00 1.00 C ATOM 410 OH TYR A 28 0.481 -6.942 -5.243 1.00 1.00 O ATOM 0 H TYR A 28 1.007 0.322 -1.726 1.00 1.00 H new ATOM 0 HA TYR A 28 2.552 -1.368 -3.480 1.00 1.00 H new ATOM 0 HB2 TYR A 28 1.350 -2.170 -1.453 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -0.175 -1.689 -2.171 1.00 1.00 H new ATOM 0 HD1 TYR A 28 2.686 -4.071 -2.475 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -1.152 -2.899 -4.007 1.00 1.00 H new ATOM 0 HE1 TYR A 28 2.554 -6.195 -3.756 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -1.338 -5.054 -5.213 1.00 1.00 H new ATOM 0 HH TYR A 28 1.363 -7.361 -5.327 1.00 1.00 H new ATOM 420 N SER A 29 1.289 -1.267 -5.653 1.00 1.00 N ATOM 421 CA SER A 29 0.613 -1.210 -6.935 1.00 1.00 C ATOM 422 C SER A 29 0.258 -2.633 -7.358 1.00 1.00 C ATOM 423 O SER A 29 1.194 -3.376 -7.656 1.00 1.00 O ATOM 424 CB SER A 29 1.543 -0.443 -7.863 1.00 1.00 C ATOM 425 OG SER A 29 1.386 0.917 -7.491 1.00 1.00 O ATOM 0 H SER A 29 2.173 -1.776 -5.684 1.00 1.00 H new ATOM 0 HA SER A 29 -0.341 -0.682 -6.931 1.00 1.00 H new ATOM 0 HB2 SER A 29 2.576 -0.769 -7.745 1.00 1.00 H new ATOM 0 HB3 SER A 29 1.277 -0.600 -8.908 1.00 1.00 H new ATOM 0 HG SER A 29 2.088 1.455 -7.913 1.00 1.00 H new ATOM 431 N PRO A 30 -1.029 -3.025 -7.441 1.00 1.00 N ATOM 432 CA PRO A 30 -1.405 -4.338 -7.950 1.00 1.00 C ATOM 433 C PRO A 30 -1.089 -4.464 -9.441 1.00 1.00 C ATOM 434 O PRO A 30 -0.691 -5.545 -9.862 1.00 1.00 O ATOM 435 CB PRO A 30 -2.895 -4.519 -7.652 1.00 1.00 C ATOM 436 CG PRO A 30 -3.409 -3.094 -7.526 1.00 1.00 C ATOM 437 CD PRO A 30 -2.214 -2.288 -7.019 1.00 1.00 C ATOM 0 HA PRO A 30 -0.831 -5.127 -7.464 1.00 1.00 H new ATOM 0 HB2 PRO A 30 -3.401 -5.059 -8.452 1.00 1.00 H new ATOM 0 HB3 PRO A 30 -3.055 -5.086 -6.735 1.00 1.00 H new ATOM 0 HG2 PRO A 30 -3.763 -2.715 -8.485 1.00 1.00 H new ATOM 0 HG3 PRO A 30 -4.247 -3.036 -6.832 1.00 1.00 H new ATOM 0 HD2 PRO A 30 -2.217 -1.281 -7.436 1.00 1.00 H new ATOM 0 HD3 PRO A 30 -2.244 -2.184 -5.934 1.00 1.00 H new ATOM 445 N LEU A 31 -1.181 -3.382 -10.225 1.00 1.00 N ATOM 446 CA LEU A 31 -0.768 -3.391 -11.631 1.00 1.00 C ATOM 447 C LEU A 31 0.730 -3.666 -11.805 1.00 1.00 C ATOM 448 O LEU A 31 1.152 -4.109 -12.867 1.00 1.00 O ATOM 449 CB LEU A 31 -1.152 -2.080 -12.321 1.00 1.00 C ATOM 450 CG LEU A 31 -2.627 -2.068 -12.755 1.00 1.00 C ATOM 451 CD1 LEU A 31 -2.985 -0.652 -13.198 1.00 1.00 C ATOM 452 CD2 LEU A 31 -2.918 -3.017 -13.930 1.00 1.00 C ATOM 0 H LEU A 31 -1.541 -2.483 -9.904 1.00 1.00 H new ATOM 0 HA LEU A 31 -1.303 -4.213 -12.106 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -0.967 -1.246 -11.644 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -0.516 -1.930 -13.193 1.00 1.00 H new ATOM 0 HG LEU A 31 -3.218 -2.403 -11.903 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.029 -0.621 -13.510 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -2.834 0.038 -12.368 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -2.348 -0.360 -14.033 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -3.976 -2.962 -14.188 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -2.318 -2.724 -14.792 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -2.667 -4.038 -13.644 1.00 1.00 H new ATOM 464 N LEU A 32 1.536 -3.399 -10.774 1.00 1.00 N ATOM 465 CA LEU A 32 2.966 -3.714 -10.713 1.00 1.00 C ATOM 466 C LEU A 32 3.215 -4.955 -9.845 1.00 1.00 C ATOM 467 O LEU A 32 4.350 -5.401 -9.701 1.00 1.00 O ATOM 468 CB LEU A 32 3.698 -2.494 -10.139 1.00 1.00 C ATOM 469 CG LEU A 32 3.923 -1.380 -11.178 1.00 1.00 C ATOM 470 CD1 LEU A 32 4.331 -0.081 -10.473 1.00 1.00 C ATOM 471 CD2 LEU A 32 5.013 -1.752 -12.193 1.00 1.00 C ATOM 0 H LEU A 32 1.198 -2.941 -9.928 1.00 1.00 H new ATOM 0 HA LEU A 32 3.340 -3.938 -11.712 1.00 1.00 H new ATOM 0 HB2 LEU A 32 3.124 -2.093 -9.304 1.00 1.00 H new ATOM 0 HB3 LEU A 32 4.662 -2.811 -9.740 1.00 1.00 H new ATOM 0 HG LEU A 32 2.983 -1.246 -11.714 1.00 1.00 H new ATOM 0 HD11 LEU A 32 4.488 0.702 -11.215 1.00 1.00 H new ATOM 0 HD12 LEU A 32 3.541 0.224 -9.786 1.00 1.00 H new ATOM 0 HD13 LEU A 32 5.254 -0.244 -9.916 1.00 1.00 H new ATOM 0 HD21 LEU A 32 5.139 -0.938 -12.907 1.00 1.00 H new ATOM 0 HD22 LEU A 32 5.954 -1.924 -11.670 1.00 1.00 H new ATOM 0 HD23 LEU A 32 4.722 -2.658 -12.724 1.00 1.00 H new ATOM 483 N GLN A 33 2.145 -5.477 -9.244 1.00 1.00 N ATOM 484 CA GLN A 33 2.008 -6.558 -8.279 1.00 1.00 C ATOM 485 C GLN A 33 2.944 -6.304 -7.067 1.00 1.00 C ATOM 486 O GLN A 33 3.193 -7.214 -6.282 1.00 1.00 O ATOM 487 CB GLN A 33 2.212 -7.882 -9.056 1.00 1.00 C ATOM 488 CG GLN A 33 1.640 -9.191 -8.477 1.00 1.00 C ATOM 489 CD GLN A 33 2.055 -9.633 -7.080 1.00 1.00 C ATOM 490 OE1 GLN A 33 1.268 -9.528 -6.143 1.00 1.00 O ATOM 491 NE2 GLN A 33 3.251 -10.176 -6.912 1.00 1.00 N ATOM 0 H GLN A 33 1.225 -5.091 -9.458 1.00 1.00 H new ATOM 0 HA GLN A 33 1.021 -6.619 -7.822 1.00 1.00 H new ATOM 0 HB2 GLN A 33 1.784 -7.748 -10.049 1.00 1.00 H new ATOM 0 HB3 GLN A 33 3.285 -8.023 -9.188 1.00 1.00 H new ATOM 0 HG2 GLN A 33 0.553 -9.105 -8.484 1.00 1.00 H new ATOM 0 HG3 GLN A 33 1.900 -9.995 -9.166 1.00 1.00 H new ATOM 0 HE21 GLN A 33 3.891 -10.255 -7.702 1.00 1.00 H new ATOM 0 HE22 GLN A 33 3.532 -10.516 -5.992 1.00 1.00 H new ATOM 500 N GLN A 34 3.451 -5.080 -6.848 1.00 1.00 N ATOM 501 CA GLN A 34 4.440 -4.817 -5.801 1.00 1.00 C ATOM 502 C GLN A 34 4.459 -3.330 -5.437 1.00 1.00 C ATOM 503 O GLN A 34 3.861 -2.491 -6.117 1.00 1.00 O ATOM 504 CB GLN A 34 5.829 -5.297 -6.276 1.00 1.00 C ATOM 505 CG GLN A 34 6.814 -5.554 -5.122 1.00 1.00 C ATOM 506 CD GLN A 34 8.100 -6.213 -5.610 1.00 1.00 C ATOM 507 OE1 GLN A 34 8.849 -5.635 -6.394 1.00 1.00 O ATOM 508 NE2 GLN A 34 8.457 -7.363 -5.069 1.00 1.00 N ATOM 0 H GLN A 34 3.188 -4.256 -7.388 1.00 1.00 H new ATOM 0 HA GLN A 34 4.169 -5.368 -4.901 1.00 1.00 H new ATOM 0 HB2 GLN A 34 5.710 -6.214 -6.854 1.00 1.00 H new ATOM 0 HB3 GLN A 34 6.254 -4.550 -6.947 1.00 1.00 H new ATOM 0 HG2 GLN A 34 7.053 -4.610 -4.631 1.00 1.00 H new ATOM 0 HG3 GLN A 34 6.340 -6.191 -4.375 1.00 1.00 H new ATOM 0 HE21 GLN A 34 7.830 -7.837 -4.419 1.00 1.00 H new ATOM 0 HE22 GLN A 34 9.360 -7.777 -5.301 1.00 1.00 H new ATOM 517 N CYS A 35 5.166 -2.994 -4.358 1.00 1.00 N ATOM 518 CA CYS A 35 5.312 -1.632 -3.880 1.00 1.00 C ATOM 519 C CYS A 35 6.419 -0.865 -4.571 1.00 1.00 C ATOM 520 O CYS A 35 7.488 -1.396 -4.881 1.00 1.00 O ATOM 521 CB CYS A 35 5.610 -1.618 -2.388 1.00 1.00 C ATOM 522 SG CYS A 35 4.224 -2.122 -1.371 1.00 1.00 S ATOM 0 H CYS A 35 5.660 -3.679 -3.786 1.00 1.00 H new ATOM 0 HA CYS A 35 4.362 -1.146 -4.104 1.00 1.00 H new ATOM 0 HB2 CYS A 35 6.454 -2.278 -2.189 1.00 1.00 H new ATOM 0 HB3 CYS A 35 5.916 -0.613 -2.097 1.00 1.00 H new ATOM 527 N HIS A 36 6.189 0.440 -4.686 1.00 1.00 N ATOM 528 CA HIS A 36 7.161 1.401 -5.204 1.00 1.00 C ATOM 529 C HIS A 36 7.105 2.705 -4.393 1.00 1.00 C ATOM 530 O HIS A 36 6.051 2.999 -3.822 1.00 1.00 O ATOM 531 CB HIS A 36 6.899 1.633 -6.704 1.00 1.00 C ATOM 532 CG HIS A 36 5.578 2.300 -7.013 1.00 1.00 C ATOM 533 ND1 HIS A 36 5.314 3.657 -6.908 1.00 1.00 N ATOM 534 CD2 HIS A 36 4.428 1.673 -7.407 1.00 1.00 C ATOM 535 CE1 HIS A 36 4.019 3.848 -7.219 1.00 1.00 C ATOM 536 NE2 HIS A 36 3.475 2.659 -7.537 1.00 1.00 N ATOM 0 H HIS A 36 5.304 0.869 -4.416 1.00 1.00 H new ATOM 0 HA HIS A 36 8.171 1.005 -5.098 1.00 1.00 H new ATOM 0 HB2 HIS A 36 7.704 2.245 -7.110 1.00 1.00 H new ATOM 0 HB3 HIS A 36 6.937 0.673 -7.219 1.00 1.00 H new ATOM 0 HD1 HIS A 36 5.982 4.381 -6.643 1.00 1.00 H new ATOM 0 HD2 HIS A 36 4.294 0.616 -7.581 1.00 1.00 H new ATOM 0 HE1 HIS A 36 3.503 4.797 -7.214 1.00 1.00 H new ATOM 545 N PRO A 37 8.189 3.503 -4.348 1.00 1.00 N ATOM 546 CA PRO A 37 8.166 4.818 -3.715 1.00 1.00 C ATOM 547 C PRO A 37 7.289 5.759 -4.547 1.00 1.00 C ATOM 548 O PRO A 37 7.030 5.465 -5.723 1.00 1.00 O ATOM 549 CB PRO A 37 9.617 5.305 -3.653 1.00 1.00 C ATOM 550 CG PRO A 37 10.446 4.287 -4.444 1.00 1.00 C ATOM 551 CD PRO A 37 9.460 3.275 -5.016 1.00 1.00 C ATOM 0 HA PRO A 37 7.747 4.784 -2.709 1.00 1.00 H new ATOM 0 HB2 PRO A 37 9.711 6.302 -4.084 1.00 1.00 H new ATOM 0 HB3 PRO A 37 9.962 5.370 -2.621 1.00 1.00 H new ATOM 0 HG2 PRO A 37 11.004 4.778 -5.241 1.00 1.00 H new ATOM 0 HG3 PRO A 37 11.175 3.796 -3.799 1.00 1.00 H new ATOM 0 HD2 PRO A 37 9.358 3.401 -6.094 1.00 1.00 H new ATOM 0 HD3 PRO A 37 9.809 2.256 -4.846 1.00 1.00 H new ATOM 559 N PHE A 38 6.840 6.893 -4.000 1.00 1.00 N ATOM 560 CA PHE A 38 6.102 7.879 -4.775 1.00 1.00 C ATOM 561 C PHE A 38 6.140 9.223 -4.063 1.00 1.00 C ATOM 562 O PHE A 38 6.446 9.307 -2.872 1.00 1.00 O ATOM 563 CB PHE A 38 4.654 7.430 -5.068 1.00 1.00 C ATOM 564 CG PHE A 38 3.637 7.513 -3.941 1.00 1.00 C ATOM 565 CD1 PHE A 38 3.698 6.631 -2.843 1.00 1.00 C ATOM 566 CD2 PHE A 38 2.564 8.420 -4.036 1.00 1.00 C ATOM 567 CE1 PHE A 38 2.692 6.661 -1.859 1.00 1.00 C ATOM 568 CE2 PHE A 38 1.555 8.434 -3.059 1.00 1.00 C ATOM 569 CZ PHE A 38 1.614 7.554 -1.966 1.00 1.00 C ATOM 0 H PHE A 38 6.978 7.145 -3.021 1.00 1.00 H new ATOM 0 HA PHE A 38 6.588 7.981 -5.746 1.00 1.00 H new ATOM 0 HB2 PHE A 38 4.281 8.029 -5.899 1.00 1.00 H new ATOM 0 HB3 PHE A 38 4.688 6.396 -5.411 1.00 1.00 H new ATOM 0 HD1 PHE A 38 4.517 5.932 -2.757 1.00 1.00 H new ATOM 0 HD2 PHE A 38 2.517 9.110 -4.866 1.00 1.00 H new ATOM 0 HE1 PHE A 38 2.750 5.991 -1.014 1.00 1.00 H new ATOM 0 HE2 PHE A 38 0.730 9.125 -3.149 1.00 1.00 H new ATOM 0 HZ PHE A 38 0.838 7.564 -1.215 1.00 1.00 H new ATOM 579 N VAL A 39 5.832 10.270 -4.819 1.00 1.00 N ATOM 580 CA VAL A 39 5.690 11.620 -4.319 1.00 1.00 C ATOM 581 C VAL A 39 4.235 11.743 -3.868 1.00 1.00 C ATOM 582 O VAL A 39 3.322 11.659 -4.693 1.00 1.00 O ATOM 583 CB VAL A 39 6.085 12.604 -5.439 1.00 1.00 C ATOM 584 CG1 VAL A 39 5.758 14.048 -5.066 1.00 1.00 C ATOM 585 CG2 VAL A 39 7.588 12.498 -5.747 1.00 1.00 C ATOM 0 H VAL A 39 5.671 10.195 -5.823 1.00 1.00 H new ATOM 0 HA VAL A 39 6.339 11.853 -3.475 1.00 1.00 H new ATOM 0 HB VAL A 39 5.505 12.331 -6.320 1.00 1.00 H new ATOM 0 HG11 VAL A 39 6.051 14.710 -5.881 1.00 1.00 H new ATOM 0 HG12 VAL A 39 4.687 14.144 -4.888 1.00 1.00 H new ATOM 0 HG13 VAL A 39 6.302 14.322 -4.162 1.00 1.00 H new ATOM 0 HG21 VAL A 39 7.847 13.200 -6.540 1.00 1.00 H new ATOM 0 HG22 VAL A 39 8.161 12.735 -4.850 1.00 1.00 H new ATOM 0 HG23 VAL A 39 7.823 11.484 -6.069 1.00 1.00 H new ATOM 595 N TYR A 40 4.028 11.907 -2.568 1.00 1.00 N ATOM 596 CA TYR A 40 2.747 12.168 -1.931 1.00 1.00 C ATOM 597 C TYR A 40 2.769 13.624 -1.464 1.00 1.00 C ATOM 598 O TYR A 40 3.842 14.190 -1.252 1.00 1.00 O ATOM 599 CB TYR A 40 2.581 11.143 -0.805 1.00 1.00 C ATOM 600 CG TYR A 40 1.608 11.481 0.301 1.00 1.00 C ATOM 601 CD1 TYR A 40 0.223 11.579 0.077 1.00 1.00 C ATOM 602 CD2 TYR A 40 2.119 11.694 1.590 1.00 1.00 C ATOM 603 CE1 TYR A 40 -0.629 11.875 1.155 1.00 1.00 C ATOM 604 CE2 TYR A 40 1.267 11.908 2.677 1.00 1.00 C ATOM 605 CZ TYR A 40 -0.120 11.988 2.466 1.00 1.00 C ATOM 606 OH TYR A 40 -0.945 12.192 3.519 1.00 1.00 O ATOM 0 H TYR A 40 4.792 11.859 -1.894 1.00 1.00 H new ATOM 0 HA TYR A 40 1.886 12.055 -2.590 1.00 1.00 H new ATOM 0 HB2 TYR A 40 2.270 10.199 -1.251 1.00 1.00 H new ATOM 0 HB3 TYR A 40 3.559 10.975 -0.354 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -0.182 11.428 -0.913 1.00 1.00 H new ATOM 0 HD2 TYR A 40 3.188 11.693 1.745 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -1.685 12.017 0.978 1.00 1.00 H new ATOM 0 HE2 TYR A 40 1.672 12.011 3.673 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.582 12.904 3.302 1.00 1.00 H new ATOM 616 N GLY A 41 1.598 14.239 -1.304 1.00 1.00 N ATOM 617 CA GLY A 41 1.475 15.654 -0.998 1.00 1.00 C ATOM 618 C GLY A 41 1.418 16.002 0.488 1.00 1.00 C ATOM 619 O GLY A 41 1.238 17.170 0.831 1.00 1.00 O ATOM 0 H GLY A 41 0.702 13.759 -1.385 1.00 1.00 H new ATOM 0 HA2 GLY A 41 2.319 16.179 -1.444 1.00 1.00 H new ATOM 0 HA3 GLY A 41 0.573 16.035 -1.477 1.00 1.00 H new ATOM 623 N GLY A 42 1.527 15.010 1.373 1.00 1.00 N ATOM 624 CA GLY A 42 1.590 15.160 2.824 1.00 1.00 C ATOM 625 C GLY A 42 0.232 15.404 3.474 1.00 1.00 C ATOM 626 O GLY A 42 -0.017 14.875 4.555 1.00 1.00 O ATOM 0 H GLY A 42 1.576 14.034 1.081 1.00 1.00 H new ATOM 0 HA2 GLY A 42 2.033 14.262 3.254 1.00 1.00 H new ATOM 0 HA3 GLY A 42 2.253 15.990 3.066 1.00 1.00 H new ATOM 630 N CYS A 43 -0.621 16.201 2.837 1.00 1.00 N ATOM 631 CA CYS A 43 -2.004 16.443 3.228 1.00 1.00 C ATOM 632 C CYS A 43 -2.870 15.241 2.799 1.00 1.00 C ATOM 633 O CYS A 43 -2.323 14.198 2.434 1.00 1.00 O ATOM 634 CB CYS A 43 -2.456 17.805 2.718 1.00 1.00 C ATOM 635 SG CYS A 43 -2.895 17.886 0.981 1.00 1.00 S ATOM 0 H CYS A 43 -0.355 16.717 1.999 1.00 1.00 H new ATOM 0 HA CYS A 43 -2.115 16.506 4.310 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -3.317 18.124 3.305 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -1.659 18.524 2.905 1.00 1.00 H new ATOM 640 N GLU A 44 -4.192 15.334 2.936 1.00 1.00 N ATOM 641 CA GLU A 44 -5.188 14.277 2.720 1.00 1.00 C ATOM 642 C GLU A 44 -4.823 13.286 1.600 1.00 1.00 C ATOM 643 O GLU A 44 -4.474 13.663 0.480 1.00 1.00 O ATOM 644 CB GLU A 44 -6.559 14.876 2.367 1.00 1.00 C ATOM 645 CG GLU A 44 -7.078 15.903 3.374 1.00 1.00 C ATOM 646 CD GLU A 44 -6.474 17.286 3.118 1.00 1.00 C ATOM 647 OE1 GLU A 44 -6.860 17.927 2.118 1.00 1.00 O ATOM 648 OE2 GLU A 44 -5.538 17.631 3.874 1.00 1.00 O ATOM 0 H GLU A 44 -4.629 16.210 3.221 1.00 1.00 H new ATOM 0 HA GLU A 44 -5.215 13.734 3.665 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -6.494 15.347 1.386 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -7.285 14.067 2.285 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -8.165 15.961 3.311 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -6.834 15.579 4.386 1.00 1.00 H new ATOM 655 N GLY A 45 -4.982 11.997 1.891 1.00 1.00 N ATOM 656 CA GLY A 45 -4.757 10.884 0.986 1.00 1.00 C ATOM 657 C GLY A 45 -5.287 9.615 1.649 1.00 1.00 C ATOM 658 O GLY A 45 -5.774 9.661 2.781 1.00 1.00 O ATOM 0 H GLY A 45 -5.287 11.690 2.814 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -5.264 11.057 0.037 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -3.694 10.782 0.765 1.00 1.00 H new ATOM 662 N ASN A 46 -5.201 8.482 0.950 1.00 1.00 N ATOM 663 CA ASN A 46 -5.793 7.232 1.426 1.00 1.00 C ATOM 664 C ASN A 46 -4.753 6.407 2.192 1.00 1.00 C ATOM 665 O ASN A 46 -3.589 6.780 2.310 1.00 1.00 O ATOM 666 CB ASN A 46 -6.387 6.387 0.281 1.00 1.00 C ATOM 667 CG ASN A 46 -7.412 7.077 -0.620 1.00 1.00 C ATOM 668 OD1 ASN A 46 -7.395 8.281 -0.824 1.00 1.00 O ATOM 669 ND2 ASN A 46 -8.323 6.320 -1.214 1.00 1.00 N ATOM 0 H ASN A 46 -4.726 8.405 0.051 1.00 1.00 H new ATOM 0 HA ASN A 46 -6.612 7.504 2.092 1.00 1.00 H new ATOM 0 HB2 ASN A 46 -5.566 6.036 -0.344 1.00 1.00 H new ATOM 0 HB3 ASN A 46 -6.856 5.505 0.717 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -9.008 6.743 -1.840 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -8.339 5.314 -1.045 1.00 1.00 H new ATOM 676 N GLY A 47 -5.184 5.228 2.643 1.00 1.00 N ATOM 677 CA GLY A 47 -4.425 4.330 3.507 1.00 1.00 C ATOM 678 C GLY A 47 -3.343 3.503 2.818 1.00 1.00 C ATOM 679 O GLY A 47 -2.549 2.884 3.518 1.00 1.00 O ATOM 0 H GLY A 47 -6.106 4.861 2.406 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -3.958 4.922 4.294 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -5.123 3.648 3.993 1.00 1.00 H new ATOM 683 N ASN A 48 -3.297 3.441 1.481 1.00 1.00 N ATOM 684 CA ASN A 48 -2.192 2.773 0.788 1.00 1.00 C ATOM 685 C ASN A 48 -1.061 3.799 0.759 1.00 1.00 C ATOM 686 O ASN A 48 -0.864 4.488 -0.247 1.00 1.00 O ATOM 687 CB ASN A 48 -2.583 2.316 -0.625 1.00 1.00 C ATOM 688 CG ASN A 48 -1.423 1.587 -1.304 1.00 1.00 C ATOM 689 OD1 ASN A 48 -0.375 1.311 -0.722 1.00 1.00 O ATOM 690 ND2 ASN A 48 -1.574 1.263 -2.567 1.00 1.00 N ATOM 0 H ASN A 48 -4.005 3.841 0.865 1.00 1.00 H new ATOM 0 HA ASN A 48 -1.896 1.858 1.302 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -3.450 1.658 -0.572 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -2.875 3.179 -1.223 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -0.823 0.783 -3.064 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -2.442 1.491 -3.052 1.00 1.00 H new ATOM 697 N ASN A 49 -0.395 3.989 1.899 1.00 1.00 N ATOM 698 CA ASN A 49 0.606 5.026 2.068 1.00 1.00 C ATOM 699 C ASN A 49 1.568 4.628 3.197 1.00 1.00 C ATOM 700 O ASN A 49 1.177 4.574 4.360 1.00 1.00 O ATOM 701 CB ASN A 49 -0.169 6.319 2.375 1.00 1.00 C ATOM 702 CG ASN A 49 0.699 7.549 2.271 1.00 1.00 C ATOM 703 OD1 ASN A 49 1.845 7.541 2.689 1.00 1.00 O ATOM 704 ND2 ASN A 49 0.174 8.640 1.737 1.00 1.00 N ATOM 0 H ASN A 49 -0.541 3.420 2.733 1.00 1.00 H new ATOM 0 HA ASN A 49 1.221 5.171 1.180 1.00 1.00 H new ATOM 0 HB2 ASN A 49 -1.007 6.410 1.684 1.00 1.00 H new ATOM 0 HB3 ASN A 49 -0.589 6.258 3.379 1.00 1.00 H new ATOM 0 HD21 ASN A 49 0.729 9.493 1.670 1.00 1.00 H new ATOM 0 HD22 ASN A 49 -0.786 8.628 1.393 1.00 1.00 H new ATOM 711 N PHE A 50 2.830 4.378 2.850 1.00 1.00 N ATOM 712 CA PHE A 50 3.911 3.859 3.689 1.00 1.00 C ATOM 713 C PHE A 50 5.155 4.742 3.553 1.00 1.00 C ATOM 714 O PHE A 50 5.202 5.619 2.697 1.00 1.00 O ATOM 715 CB PHE A 50 4.253 2.444 3.152 1.00 1.00 C ATOM 716 CG PHE A 50 3.122 1.440 3.268 1.00 1.00 C ATOM 717 CD1 PHE A 50 2.161 1.335 2.242 1.00 1.00 C ATOM 718 CD2 PHE A 50 3.016 0.622 4.406 1.00 1.00 C ATOM 719 CE1 PHE A 50 1.089 0.437 2.365 1.00 1.00 C ATOM 720 CE2 PHE A 50 1.948 -0.284 4.524 1.00 1.00 C ATOM 721 CZ PHE A 50 0.976 -0.364 3.512 1.00 1.00 C ATOM 0 H PHE A 50 3.149 4.547 1.896 1.00 1.00 H new ATOM 0 HA PHE A 50 3.606 3.839 4.735 1.00 1.00 H new ATOM 0 HB2 PHE A 50 4.543 2.526 2.105 1.00 1.00 H new ATOM 0 HB3 PHE A 50 5.118 2.062 3.694 1.00 1.00 H new ATOM 0 HD1 PHE A 50 2.250 1.948 1.357 1.00 1.00 H new ATOM 0 HD2 PHE A 50 3.756 0.690 5.190 1.00 1.00 H new ATOM 0 HE1 PHE A 50 0.353 0.363 1.579 1.00 1.00 H new ATOM 0 HE2 PHE A 50 1.874 -0.920 5.394 1.00 1.00 H new ATOM 0 HZ PHE A 50 0.142 -1.042 3.617 1.00 1.00 H new ATOM 731 N HIS A 51 6.183 4.541 4.380 1.00 1.00 N ATOM 732 CA HIS A 51 7.489 5.200 4.277 1.00 1.00 C ATOM 733 C HIS A 51 8.613 4.278 3.851 1.00 1.00 C ATOM 734 O HIS A 51 9.678 4.797 3.514 1.00 1.00 O ATOM 735 CB HIS A 51 7.907 6.059 5.473 1.00 1.00 C ATOM 736 CG HIS A 51 7.358 7.460 5.516 1.00 1.00 C ATOM 737 ND1 HIS A 51 7.847 8.474 4.700 1.00 1.00 N ATOM 738 CD2 HIS A 51 6.650 8.038 6.536 1.00 1.00 C ATOM 739 CE1 HIS A 51 7.492 9.641 5.251 1.00 1.00 C ATOM 740 NE2 HIS A 51 6.727 9.410 6.335 1.00 1.00 N ATOM 0 H HIS A 51 6.129 3.894 5.166 1.00 1.00 H new ATOM 0 HA HIS A 51 7.312 5.906 3.466 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.604 5.545 6.385 1.00 1.00 H new ATOM 0 HB3 HIS A 51 8.995 6.118 5.487 1.00 1.00 H new ATOM 0 HD1 HIS A 51 8.379 8.351 3.839 1.00 1.00 H new ATOM 0 HD2 HIS A 51 6.135 7.529 7.337 1.00 1.00 H new ATOM 0 HE1 HIS A 51 7.775 10.616 4.883 1.00 1.00 H new ATOM 749 N SER A 52 8.404 2.971 3.793 1.00 1.00 N ATOM 750 CA SER A 52 9.494 2.061 3.506 1.00 1.00 C ATOM 751 C SER A 52 9.038 0.974 2.550 1.00 1.00 C ATOM 752 O SER A 52 7.846 0.725 2.375 1.00 1.00 O ATOM 753 CB SER A 52 10.064 1.522 4.826 1.00 1.00 C ATOM 754 OG SER A 52 9.028 1.271 5.756 1.00 1.00 O ATOM 0 H SER A 52 7.499 2.524 3.940 1.00 1.00 H new ATOM 0 HA SER A 52 10.304 2.583 2.997 1.00 1.00 H new ATOM 0 HB2 SER A 52 10.621 0.604 4.639 1.00 1.00 H new ATOM 0 HB3 SER A 52 10.768 2.242 5.244 1.00 1.00 H new ATOM 0 HG SER A 52 9.342 0.634 6.431 1.00 1.00 H new ATOM 760 N ARG A 53 10.020 0.350 1.903 1.00 1.00 N ATOM 761 CA ARG A 53 9.800 -0.802 1.047 1.00 1.00 C ATOM 762 C ARG A 53 9.307 -1.955 1.916 1.00 1.00 C ATOM 763 O ARG A 53 8.309 -2.565 1.578 1.00 1.00 O ATOM 764 CB ARG A 53 11.095 -1.118 0.304 1.00 1.00 C ATOM 765 CG ARG A 53 10.988 -2.349 -0.590 1.00 1.00 C ATOM 766 CD ARG A 53 9.901 -2.342 -1.672 1.00 1.00 C ATOM 767 NE ARG A 53 9.964 -3.640 -2.347 1.00 1.00 N ATOM 768 CZ ARG A 53 9.980 -4.023 -3.624 1.00 1.00 C ATOM 769 NH1 ARG A 53 9.627 -3.234 -4.635 1.00 1.00 N ATOM 770 NH2 ARG A 53 10.353 -5.266 -3.871 1.00 1.00 N ATOM 0 H ARG A 53 10.997 0.636 1.962 1.00 1.00 H new ATOM 0 HA ARG A 53 9.038 -0.611 0.291 1.00 1.00 H new ATOM 0 HB2 ARG A 53 11.377 -0.258 -0.304 1.00 1.00 H new ATOM 0 HB3 ARG A 53 11.894 -1.271 1.029 1.00 1.00 H new ATOM 0 HG2 ARG A 53 11.951 -2.494 -1.080 1.00 1.00 H new ATOM 0 HG3 ARG A 53 10.822 -3.216 0.049 1.00 1.00 H new ATOM 0 HD2 ARG A 53 8.917 -2.184 -1.230 1.00 1.00 H new ATOM 0 HD3 ARG A 53 10.066 -1.530 -2.380 1.00 1.00 H new ATOM 0 HE ARG A 53 10.005 -4.425 -1.696 1.00 1.00 H new ATOM 0 HH11 ARG A 53 9.323 -2.278 -4.453 1.00 1.00 H new ATOM 0 HH12 ARG A 53 9.661 -3.585 -5.592 1.00 1.00 H new ATOM 0 HH21 ARG A 53 10.612 -5.883 -3.101 1.00 1.00 H new ATOM 0 HH22 ARG A 53 10.382 -5.608 -4.831 1.00 1.00 H new ATOM 784 N GLU A 54 10.008 -2.177 3.024 1.00 1.00 N ATOM 785 CA GLU A 54 9.739 -3.108 4.112 1.00 1.00 C ATOM 786 C GLU A 54 8.273 -3.131 4.529 1.00 1.00 C ATOM 787 O GLU A 54 7.587 -4.099 4.228 1.00 1.00 O ATOM 788 CB GLU A 54 10.699 -2.624 5.219 1.00 1.00 C ATOM 789 CG GLU A 54 10.439 -2.965 6.694 1.00 1.00 C ATOM 790 CD GLU A 54 10.325 -1.636 7.457 1.00 1.00 C ATOM 791 OE1 GLU A 54 9.444 -0.828 7.068 1.00 1.00 O ATOM 792 OE2 GLU A 54 11.205 -1.342 8.287 1.00 1.00 O ATOM 0 H GLU A 54 10.867 -1.655 3.198 1.00 1.00 H new ATOM 0 HA GLU A 54 9.911 -4.150 3.841 1.00 1.00 H new ATOM 0 HB2 GLU A 54 11.690 -3.006 4.972 1.00 1.00 H new ATOM 0 HB3 GLU A 54 10.749 -1.538 5.146 1.00 1.00 H new ATOM 0 HG2 GLU A 54 9.524 -3.548 6.798 1.00 1.00 H new ATOM 0 HG3 GLU A 54 11.250 -3.571 7.097 1.00 1.00 H new ATOM 799 N SER A 55 7.771 -2.037 5.099 1.00 1.00 N ATOM 800 CA SER A 55 6.397 -1.987 5.622 1.00 1.00 C ATOM 801 C SER A 55 5.353 -2.267 4.533 1.00 1.00 C ATOM 802 O SER A 55 4.296 -2.864 4.755 1.00 1.00 O ATOM 803 CB SER A 55 6.154 -0.622 6.291 1.00 1.00 C ATOM 804 OG SER A 55 6.485 0.488 5.463 1.00 1.00 O ATOM 0 H SER A 55 8.293 -1.168 5.213 1.00 1.00 H new ATOM 0 HA SER A 55 6.284 -2.777 6.365 1.00 1.00 H new ATOM 0 HB2 SER A 55 5.105 -0.550 6.578 1.00 1.00 H new ATOM 0 HB3 SER A 55 6.740 -0.567 7.208 1.00 1.00 H new ATOM 0 HG SER A 55 7.441 0.685 5.547 1.00 1.00 H new ATOM 810 N CYS A 56 5.659 -1.813 3.326 1.00 1.00 N ATOM 811 CA CYS A 56 4.770 -1.948 2.204 1.00 1.00 C ATOM 812 C CYS A 56 4.732 -3.388 1.724 1.00 1.00 C ATOM 813 O CYS A 56 3.649 -3.889 1.446 1.00 1.00 O ATOM 814 CB CYS A 56 5.290 -1.009 1.121 1.00 1.00 C ATOM 815 SG CYS A 56 4.070 -0.545 -0.117 1.00 1.00 S ATOM 0 H CYS A 56 6.536 -1.341 3.107 1.00 1.00 H new ATOM 0 HA CYS A 56 3.747 -1.687 2.474 1.00 1.00 H new ATOM 0 HB2 CYS A 56 5.670 -0.104 1.595 1.00 1.00 H new ATOM 0 HB3 CYS A 56 6.133 -1.485 0.621 1.00 1.00 H new ATOM 820 N GLU A 57 5.897 -4.030 1.614 1.00 1.00 N ATOM 821 CA GLU A 57 5.962 -5.450 1.278 1.00 1.00 C ATOM 822 C GLU A 57 5.297 -6.307 2.350 1.00 1.00 C ATOM 823 O GLU A 57 4.674 -7.306 1.993 1.00 1.00 O ATOM 824 CB GLU A 57 7.354 -5.929 0.840 1.00 1.00 C ATOM 825 CG GLU A 57 7.672 -5.340 -0.548 1.00 1.00 C ATOM 826 CD GLU A 57 8.544 -6.238 -1.430 1.00 1.00 C ATOM 827 OE1 GLU A 57 9.791 -6.154 -1.327 1.00 1.00 O ATOM 828 OE2 GLU A 57 8.009 -6.807 -2.409 1.00 1.00 O ATOM 0 H GLU A 57 6.806 -3.588 1.753 1.00 1.00 H new ATOM 0 HA GLU A 57 5.368 -5.587 0.374 1.00 1.00 H new ATOM 0 HB2 GLU A 57 8.106 -5.614 1.564 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.383 -7.018 0.803 1.00 1.00 H new ATOM 0 HG2 GLU A 57 6.735 -5.140 -1.068 1.00 1.00 H new ATOM 0 HG3 GLU A 57 8.175 -4.382 -0.416 1.00 1.00 H new ATOM 835 N ASP A 58 5.381 -5.904 3.623 1.00 1.00 N ATOM 836 CA ASP A 58 4.665 -6.568 4.714 1.00 1.00 C ATOM 837 C ASP A 58 3.157 -6.464 4.450 1.00 1.00 C ATOM 838 O ASP A 58 2.450 -7.464 4.587 1.00 1.00 O ATOM 839 CB ASP A 58 5.050 -5.967 6.072 1.00 1.00 C ATOM 840 CG ASP A 58 4.233 -6.565 7.224 1.00 1.00 C ATOM 841 OD1 ASP A 58 4.582 -7.687 7.655 1.00 1.00 O ATOM 842 OD2 ASP A 58 3.316 -5.861 7.709 1.00 1.00 O ATOM 0 H ASP A 58 5.946 -5.110 3.924 1.00 1.00 H new ATOM 0 HA ASP A 58 4.945 -7.621 4.751 1.00 1.00 H new ATOM 0 HB2 ASP A 58 6.111 -6.137 6.255 1.00 1.00 H new ATOM 0 HB3 ASP A 58 4.900 -4.888 6.045 1.00 1.00 H new ATOM 847 N ALA A 59 2.662 -5.301 3.980 1.00 1.00 N ATOM 848 CA ALA A 59 1.253 -5.220 3.596 1.00 1.00 C ATOM 849 C ALA A 59 0.923 -6.143 2.406 1.00 1.00 C ATOM 850 O ALA A 59 -0.060 -6.886 2.466 1.00 1.00 O ATOM 851 CB ALA A 59 0.853 -3.770 3.321 1.00 1.00 C ATOM 0 H ALA A 59 3.198 -4.441 3.863 1.00 1.00 H new ATOM 0 HA ALA A 59 0.658 -5.579 4.436 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -0.199 -3.730 3.037 1.00 1.00 H new ATOM 0 HB2 ALA A 59 1.009 -3.173 4.219 1.00 1.00 H new ATOM 0 HB3 ALA A 59 1.463 -3.372 2.510 1.00 1.00 H new ATOM 857 N CYS A 60 1.669 -6.048 1.299 1.00 1.00 N ATOM 858 CA CYS A 60 1.617 -6.896 0.113 1.00 1.00 C ATOM 859 C CYS A 60 2.929 -6.767 -0.671 1.00 1.00 C ATOM 860 O CYS A 60 3.465 -5.667 -0.747 1.00 1.00 O ATOM 861 CB CYS A 60 0.452 -6.512 -0.800 1.00 1.00 C ATOM 862 SG CYS A 60 -1.197 -7.141 -0.399 1.00 1.00 S ATOM 0 H CYS A 60 2.377 -5.319 1.207 1.00 1.00 H new ATOM 0 HA CYS A 60 1.472 -7.924 0.444 1.00 1.00 H new ATOM 0 HB2 CYS A 60 0.395 -5.424 -0.826 1.00 1.00 H new ATOM 0 HB3 CYS A 60 0.698 -6.843 -1.809 1.00 1.00 H new ATOM 867 N PRO A 61 3.303 -7.720 -1.542 1.00 1.00 N ATOM 868 CA PRO A 61 2.518 -8.867 -1.961 1.00 1.00 C ATOM 869 C PRO A 61 2.392 -10.011 -0.953 1.00 1.00 C ATOM 870 O PRO A 61 3.370 -10.562 -0.464 1.00 1.00 O ATOM 871 CB PRO A 61 3.194 -9.345 -3.249 1.00 1.00 C ATOM 872 CG PRO A 61 4.663 -8.981 -3.041 1.00 1.00 C ATOM 873 CD PRO A 61 4.579 -7.683 -2.245 1.00 1.00 C ATOM 0 HA PRO A 61 1.481 -8.556 -2.084 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.064 -10.417 -3.396 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.779 -8.850 -4.127 1.00 1.00 H new ATOM 0 HG2 PRO A 61 5.199 -9.757 -2.494 1.00 1.00 H new ATOM 0 HG3 PRO A 61 5.183 -8.842 -3.989 1.00 1.00 H new ATOM 0 HD2 PRO A 61 5.408 -7.603 -1.542 1.00 1.00 H new ATOM 0 HD3 PRO A 61 4.635 -6.817 -2.905 1.00 1.00 H new ATOM 881 N VAL A 62 1.141 -10.401 -0.729 1.00 1.00 N ATOM 882 CA VAL A 62 0.686 -11.537 0.062 1.00 1.00 C ATOM 883 C VAL A 62 -0.125 -12.382 -0.947 1.00 1.00 C ATOM 884 O VAL A 62 0.012 -12.201 -2.163 1.00 1.00 O ATOM 885 CB VAL A 62 -0.027 -11.006 1.340 1.00 1.00 C ATOM 886 CG1 VAL A 62 -0.730 -12.063 2.215 1.00 1.00 C ATOM 887 CG2 VAL A 62 0.992 -10.316 2.266 1.00 1.00 C ATOM 0 H VAL A 62 0.356 -9.888 -1.129 1.00 1.00 H new ATOM 0 HA VAL A 62 1.448 -12.190 0.488 1.00 1.00 H new ATOM 0 HB VAL A 62 -0.791 -10.340 0.939 1.00 1.00 H new ATOM 0 HG11 VAL A 62 -1.190 -11.576 3.075 1.00 1.00 H new ATOM 0 HG12 VAL A 62 -1.499 -12.567 1.629 1.00 1.00 H new ATOM 0 HG13 VAL A 62 0.001 -12.794 2.560 1.00 1.00 H new ATOM 0 HG21 VAL A 62 0.483 -9.948 3.157 1.00 1.00 H new ATOM 0 HG22 VAL A 62 1.762 -11.031 2.557 1.00 1.00 H new ATOM 0 HG23 VAL A 62 1.453 -9.480 1.740 1.00 1.00 H new ATOM 897 N VAL A 63 -0.912 -13.356 -0.488 1.00 1.00 N ATOM 898 CA VAL A 63 -1.733 -14.207 -1.351 1.00 1.00 C ATOM 899 C VAL A 63 -2.570 -13.314 -2.283 1.00 1.00 C ATOM 900 O VAL A 63 -3.077 -12.265 -1.881 1.00 1.00 O ATOM 901 CB VAL A 63 -2.599 -15.193 -0.542 1.00 1.00 C ATOM 902 CG1 VAL A 63 -3.072 -16.365 -1.420 1.00 1.00 C ATOM 903 CG2 VAL A 63 -1.865 -15.785 0.677 1.00 1.00 C ATOM 0 H VAL A 63 -0.998 -13.579 0.504 1.00 1.00 H new ATOM 0 HA VAL A 63 -1.080 -14.832 -1.960 1.00 1.00 H new ATOM 0 HB VAL A 63 -3.447 -14.606 -0.189 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -3.681 -17.044 -0.823 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -3.665 -15.981 -2.250 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -2.206 -16.901 -1.809 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -2.529 -16.471 1.204 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -0.979 -16.324 0.342 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -1.568 -14.980 1.349 1.00 1.00 H new ATOM 913 N ASP A 64 -2.723 -13.764 -3.528 1.00 1.00 N ATOM 914 CA ASP A 64 -3.359 -12.996 -4.593 1.00 1.00 C ATOM 915 C ASP A 64 -4.774 -12.511 -4.251 1.00 1.00 C ATOM 916 O ASP A 64 -5.646 -13.293 -3.857 1.00 1.00 O ATOM 917 CB ASP A 64 -3.308 -13.740 -5.932 1.00 1.00 C ATOM 918 CG ASP A 64 -3.866 -12.877 -7.074 1.00 1.00 C ATOM 919 OD1 ASP A 64 -3.669 -11.640 -7.029 1.00 1.00 O ATOM 920 OD2 ASP A 64 -4.544 -13.448 -7.955 1.00 1.00 O ATOM 0 H ASP A 64 -2.404 -14.685 -3.827 1.00 1.00 H new ATOM 0 HA ASP A 64 -2.767 -12.087 -4.697 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -2.279 -14.020 -6.155 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -3.881 -14.664 -5.859 1.00 1.00 H new ATOM 925 N HIS A 65 -4.941 -11.207 -4.480 1.00 1.00 N ATOM 926 CA HIS A 65 -5.959 -10.168 -4.275 1.00 1.00 C ATOM 927 C HIS A 65 -7.448 -10.514 -4.407 1.00 1.00 C ATOM 928 O HIS A 65 -8.260 -9.593 -4.477 1.00 1.00 O ATOM 929 CB HIS A 65 -5.634 -9.030 -5.269 1.00 1.00 C ATOM 930 CG HIS A 65 -4.182 -8.609 -5.300 1.00 1.00 C ATOM 931 ND1 HIS A 65 -3.196 -9.192 -6.080 1.00 1.00 N ATOM 932 CD2 HIS A 65 -3.596 -7.665 -4.505 1.00 1.00 C ATOM 933 CE1 HIS A 65 -2.023 -8.637 -5.735 1.00 1.00 C ATOM 934 NE2 HIS A 65 -2.244 -7.700 -4.792 1.00 1.00 N ATOM 0 H HIS A 65 -4.152 -10.745 -4.932 1.00 1.00 H new ATOM 0 HA HIS A 65 -5.877 -9.928 -3.215 1.00 1.00 H new ATOM 0 HB2 HIS A 65 -5.927 -9.347 -6.270 1.00 1.00 H new ATOM 0 HB3 HIS A 65 -6.244 -8.162 -5.018 1.00 1.00 H new ATOM 0 HD1 HIS A 65 -3.336 -9.913 -6.788 1.00 1.00 H new ATOM 0 HD2 HIS A 65 -4.090 -7.020 -3.794 1.00 1.00 H new ATOM 0 HE1 HIS A 65 -1.059 -8.899 -6.146 1.00 1.00 H new ATOM 943 N HIS A 66 -7.841 -11.781 -4.511 1.00 1.00 N ATOM 944 CA HIS A 66 -9.245 -12.148 -4.689 1.00 1.00 C ATOM 945 C HIS A 66 -10.078 -11.711 -3.481 1.00 1.00 C ATOM 946 O HIS A 66 -9.510 -11.438 -2.423 1.00 1.00 O ATOM 947 CB HIS A 66 -9.382 -13.656 -4.940 1.00 1.00 C ATOM 948 CG HIS A 66 -8.400 -14.170 -5.961 1.00 1.00 C ATOM 949 ND1 HIS A 66 -7.347 -15.026 -5.693 1.00 1.00 N ATOM 950 CD2 HIS A 66 -8.256 -13.687 -7.234 1.00 1.00 C ATOM 951 CE1 HIS A 66 -6.591 -15.081 -6.803 1.00 1.00 C ATOM 952 NE2 HIS A 66 -7.104 -14.259 -7.736 1.00 1.00 N ATOM 0 H HIS A 66 -7.203 -12.576 -4.475 1.00 1.00 H new ATOM 0 HA HIS A 66 -9.628 -11.625 -5.565 1.00 1.00 H new ATOM 0 HB2 HIS A 66 -9.236 -14.191 -4.001 1.00 1.00 H new ATOM 0 HB3 HIS A 66 -10.396 -13.873 -5.276 1.00 1.00 H new ATOM 0 HD2 HIS A 66 -8.912 -12.997 -7.743 1.00 1.00 H new ATOM 0 HE1 HIS A 66 -5.708 -15.691 -6.927 1.00 1.00 H new ATOM 0 HE2 HIS A 66 -6.708 -14.087 -8.660 1.00 1.00 H new ATOM 961 N HIS A 67 -11.413 -11.741 -3.616 1.00 1.00 N ATOM 962 CA HIS A 67 -12.424 -11.406 -2.601 1.00 1.00 C ATOM 963 C HIS A 67 -11.918 -11.814 -1.211 1.00 1.00 C ATOM 964 O HIS A 67 -11.953 -12.996 -0.867 1.00 1.00 O ATOM 965 CB HIS A 67 -13.785 -12.050 -2.957 1.00 1.00 C ATOM 966 CG HIS A 67 -14.554 -11.385 -4.090 1.00 1.00 C ATOM 967 ND1 HIS A 67 -14.397 -11.605 -5.452 1.00 1.00 N ATOM 968 CD2 HIS A 67 -15.435 -10.344 -3.942 1.00 1.00 C ATOM 969 CE1 HIS A 67 -15.154 -10.701 -6.102 1.00 1.00 C ATOM 970 NE2 HIS A 67 -15.757 -9.895 -5.211 1.00 1.00 N ATOM 0 H HIS A 67 -11.844 -12.019 -4.498 1.00 1.00 H new ATOM 0 HA HIS A 67 -12.587 -10.328 -2.584 1.00 1.00 H new ATOM 0 HB2 HIS A 67 -13.614 -13.093 -3.222 1.00 1.00 H new ATOM 0 HB3 HIS A 67 -14.412 -12.046 -2.066 1.00 1.00 H new ATOM 0 HD1 HIS A 67 -13.813 -12.322 -5.882 1.00 1.00 H new ATOM 0 HD2 HIS A 67 -15.808 -9.948 -3.009 1.00 1.00 H new ATOM 0 HE1 HIS A 67 -15.260 -10.634 -7.175 1.00 1.00 H new ATOM 979 N HIS A 68 -11.429 -10.833 -0.439 1.00 1.00 N ATOM 980 CA HIS A 68 -10.765 -10.980 0.859 1.00 1.00 C ATOM 981 C HIS A 68 -11.666 -11.624 1.920 1.00 1.00 C ATOM 982 O HIS A 68 -12.230 -10.945 2.773 1.00 1.00 O ATOM 983 CB HIS A 68 -10.179 -9.613 1.291 1.00 1.00 C ATOM 984 CG HIS A 68 -8.946 -9.635 2.175 1.00 1.00 C ATOM 985 ND1 HIS A 68 -8.012 -8.612 2.244 1.00 1.00 N ATOM 986 CD2 HIS A 68 -8.534 -10.630 3.027 1.00 1.00 C ATOM 987 CE1 HIS A 68 -7.047 -8.982 3.100 1.00 1.00 C ATOM 988 NE2 HIS A 68 -7.339 -10.205 3.589 1.00 1.00 N ATOM 0 H HIS A 68 -11.492 -9.856 -0.724 1.00 1.00 H new ATOM 0 HA HIS A 68 -9.939 -11.683 0.753 1.00 1.00 H new ATOM 0 HB2 HIS A 68 -9.939 -9.049 0.390 1.00 1.00 H new ATOM 0 HB3 HIS A 68 -10.960 -9.061 1.814 1.00 1.00 H new ATOM 0 HD1 HIS A 68 -8.052 -7.730 1.732 1.00 1.00 H new ATOM 0 HD2 HIS A 68 -9.042 -11.563 3.222 1.00 1.00 H new ATOM 0 HE1 HIS A 68 -6.177 -8.395 3.356 1.00 1.00 H new ATOM 997 N HIS A 69 -11.825 -12.947 1.872 1.00 1.00 N ATOM 998 CA HIS A 69 -12.544 -13.693 2.898 1.00 1.00 C ATOM 999 C HIS A 69 -11.746 -13.590 4.204 1.00 1.00 C ATOM 1000 O HIS A 69 -10.528 -13.398 4.165 1.00 1.00 O ATOM 1001 CB HIS A 69 -12.688 -15.163 2.446 1.00 1.00 C ATOM 1002 CG HIS A 69 -13.526 -16.034 3.361 1.00 1.00 C ATOM 1003 ND1 HIS A 69 -13.080 -16.683 4.501 1.00 1.00 N ATOM 1004 CD2 HIS A 69 -14.865 -16.295 3.230 1.00 1.00 C ATOM 1005 CE1 HIS A 69 -14.137 -17.273 5.082 1.00 1.00 C ATOM 1006 NE2 HIS A 69 -15.230 -17.076 4.316 1.00 1.00 N ATOM 0 H HIS A 69 -11.458 -13.529 1.119 1.00 1.00 H new ATOM 0 HA HIS A 69 -13.544 -13.288 3.055 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -13.129 -15.180 1.449 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -11.693 -15.601 2.362 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -12.118 -16.708 4.839 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -15.512 -15.957 2.434 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -14.116 -17.818 6.014 1.00 1.00 H new ATOM 1015 N HIS A 70 -12.438 -13.697 5.339 1.00 1.00 N ATOM 1016 CA HIS A 70 -11.834 -13.767 6.658 1.00 1.00 C ATOM 1017 C HIS A 70 -12.001 -15.245 6.971 1.00 1.00 C ATOM 1018 O HIS A 70 -11.284 -16.045 6.345 1.00 1.00 O ATOM 1019 CB HIS A 70 -12.518 -12.810 7.655 1.00 1.00 C ATOM 1020 CG HIS A 70 -12.056 -13.008 9.083 1.00 1.00 C ATOM 1021 ND1 HIS A 70 -12.219 -14.177 9.798 1.00 1.00 N ATOM 1022 CD2 HIS A 70 -11.400 -12.109 9.878 1.00 1.00 C ATOM 1023 CE1 HIS A 70 -11.661 -14.004 11.010 1.00 1.00 C ATOM 1024 NE2 HIS A 70 -11.163 -12.749 11.085 1.00 1.00 N ATOM 1025 OXT HIS A 70 -12.986 -15.597 7.654 1.00 1.00 O ATOM 0 H HIS A 70 -13.457 -13.738 5.361 1.00 1.00 H new ATOM 0 HA HIS A 70 -10.795 -13.442 6.718 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -12.320 -11.781 7.355 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -13.597 -12.955 7.606 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -12.681 -15.023 9.466 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -11.121 -11.099 9.617 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -11.618 -14.745 11.794 1.00 1.00 H new TER 1034 HIS A 70