USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 471 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 39 GLN : amide:sc= -10.8! C(o=-11!,f=-21!) USER MOD Single : A 1 ALA N :NH3+ -111:sc= 0.102 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -127:sc= -0.336 (180deg=-3.78!) USER MOD Single : A 10 HIS : no HD1:sc= -0.764 X(o=-0.76,f=-0.44) USER MOD Single : A 11 ASN : amide:sc= -4.04! C(o=-4!,f=-14!) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0563 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0438 K(o=-0.044,f=-1.2) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 107:sc= 0.595 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.454 K(o=-0.45,f=-4.1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -2.37! K(o=-2.4!,f=-1.1) USER MOD Single : A 35 SER OG : rot -6:sc= 0.977 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -8.08! K(o=-8.1!,f=-1.6) USER MOD Single : A 52 GLN : amide:sc=-0.00505 X(o=-0.005,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0209 K(o=-0.021,f=-1.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.933 -0.251 0.717 1.00 0.00 N ATOM 2 CA ALA A 1 2.214 -0.082 -0.704 1.00 0.00 C ATOM 3 C ALA A 1 2.260 -1.428 -1.418 1.00 0.00 C ATOM 4 O ALA A 1 1.944 -2.464 -0.832 1.00 0.00 O ATOM 5 CB ALA A 1 3.526 0.665 -0.897 1.00 0.00 C ATOM 0 H1 ALA A 1 0.984 0.117 0.929 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.976 -1.261 0.962 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.639 0.271 1.275 1.00 0.00 H new ATOM 0 HA ALA A 1 1.406 0.505 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.724 0.784 -1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.458 1.647 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.337 0.100 -0.439 1.00 0.00 H new ATOM 11 N ARG A 2 2.654 -1.407 -2.687 1.00 0.00 N ATOM 12 CA ARG A 2 2.739 -2.626 -3.481 1.00 0.00 C ATOM 13 C ARG A 2 3.777 -2.481 -4.590 1.00 0.00 C ATOM 14 O ARG A 2 4.206 -1.373 -4.912 1.00 0.00 O ATOM 15 CB ARG A 2 1.375 -2.962 -4.086 1.00 0.00 C ATOM 16 CG ARG A 2 0.787 -1.839 -4.925 1.00 0.00 C ATOM 17 CD ARG A 2 -0.474 -2.285 -5.648 1.00 0.00 C ATOM 18 NE ARG A 2 -0.866 -1.345 -6.695 1.00 0.00 N ATOM 19 CZ ARG A 2 -1.983 -1.460 -7.405 1.00 0.00 C ATOM 20 NH1 ARG A 2 -2.814 -2.469 -7.182 1.00 0.00 N ATOM 21 NH2 ARG A 2 -2.270 -0.564 -8.341 1.00 0.00 N ATOM 0 H ARG A 2 2.919 -0.559 -3.187 1.00 0.00 H new ATOM 0 HA ARG A 2 3.047 -3.438 -2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.471 -3.854 -4.705 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.680 -3.205 -3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.559 -0.987 -4.285 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.525 -1.502 -5.653 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.311 -3.269 -6.087 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.287 -2.387 -4.929 1.00 0.00 H new ATOM 0 HE ARG A 2 -0.249 -0.557 -6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.596 -3.160 -6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.671 -2.554 -7.729 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.633 0.213 -8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.128 -0.653 -8.886 1.00 0.00 H new ATOM 35 N ASP A 3 4.177 -3.608 -5.170 1.00 0.00 N ATOM 36 CA ASP A 3 5.164 -3.607 -6.244 1.00 0.00 C ATOM 37 C ASP A 3 4.488 -3.738 -7.604 1.00 0.00 C ATOM 38 O ASP A 3 3.534 -4.500 -7.764 1.00 0.00 O ATOM 39 CB ASP A 3 6.165 -4.746 -6.046 1.00 0.00 C ATOM 40 CG ASP A 3 7.038 -4.544 -4.822 1.00 0.00 C ATOM 41 OD1 ASP A 3 8.235 -4.894 -4.883 1.00 0.00 O ATOM 42 OD2 ASP A 3 6.523 -4.035 -3.805 1.00 0.00 O ATOM 0 H ASP A 3 3.833 -4.534 -4.914 1.00 0.00 H new ATOM 0 HA ASP A 3 5.696 -2.656 -6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.625 -5.688 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.797 -4.828 -6.930 1.00 0.00 H new ATOM 47 N ALA A 4 4.987 -2.990 -8.583 1.00 0.00 N ATOM 48 CA ALA A 4 4.432 -3.023 -9.930 1.00 0.00 C ATOM 49 C ALA A 4 5.260 -2.173 -10.887 1.00 0.00 C ATOM 50 O ALA A 4 6.232 -1.534 -10.482 1.00 0.00 O ATOM 51 CB ALA A 4 2.986 -2.550 -9.917 1.00 0.00 C ATOM 0 H ALA A 4 5.775 -2.353 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 4 4.463 -4.054 -10.283 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.584 -2.580 -10.930 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.396 -3.202 -9.273 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.941 -1.529 -9.539 1.00 0.00 H new ATOM 57 N TYR A 5 4.871 -2.170 -12.157 1.00 0.00 N ATOM 58 CA TYR A 5 5.580 -1.400 -13.172 1.00 0.00 C ATOM 59 C TYR A 5 5.092 0.045 -13.199 1.00 0.00 C ATOM 60 O TYR A 5 3.888 0.305 -13.218 1.00 0.00 O ATOM 61 CB TYR A 5 5.394 -2.039 -14.549 1.00 0.00 C ATOM 62 CG TYR A 5 5.565 -3.542 -14.547 1.00 0.00 C ATOM 63 CD1 TYR A 5 4.484 -4.383 -14.311 1.00 0.00 C ATOM 64 CD2 TYR A 5 6.806 -4.120 -14.781 1.00 0.00 C ATOM 65 CE1 TYR A 5 4.636 -5.756 -14.308 1.00 0.00 C ATOM 66 CE2 TYR A 5 6.967 -5.492 -14.781 1.00 0.00 C ATOM 67 CZ TYR A 5 5.879 -6.306 -14.544 1.00 0.00 C ATOM 68 OH TYR A 5 6.035 -7.673 -14.542 1.00 0.00 O ATOM 0 H TYR A 5 4.068 -2.692 -12.508 1.00 0.00 H new ATOM 0 HA TYR A 5 6.640 -1.402 -12.918 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.399 -1.795 -14.922 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.111 -1.601 -15.243 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.509 -3.956 -14.127 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.660 -3.486 -14.966 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.786 -6.396 -14.122 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.939 -5.925 -14.966 1.00 0.00 H new ATOM 0 HH TYR A 5 6.972 -7.896 -14.726 1.00 0.00 H new ATOM 78 N ILE A 6 6.035 0.981 -13.202 1.00 0.00 N ATOM 79 CA ILE A 6 5.702 2.400 -13.229 1.00 0.00 C ATOM 80 C ILE A 6 5.167 2.813 -14.595 1.00 0.00 C ATOM 81 O ILE A 6 5.711 2.427 -15.629 1.00 0.00 O ATOM 82 CB ILE A 6 6.925 3.271 -12.884 1.00 0.00 C ATOM 83 CG1 ILE A 6 6.616 4.747 -13.146 1.00 0.00 C ATOM 84 CG2 ILE A 6 8.136 2.827 -13.690 1.00 0.00 C ATOM 85 CD1 ILE A 6 7.653 5.691 -12.578 1.00 0.00 C ATOM 0 H ILE A 6 7.035 0.782 -13.186 1.00 0.00 H new ATOM 0 HA ILE A 6 4.929 2.558 -12.476 1.00 0.00 H new ATOM 0 HB ILE A 6 7.153 3.148 -11.825 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.539 4.909 -14.221 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.643 4.988 -12.717 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.992 3.452 -13.435 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.365 1.787 -13.459 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.920 2.924 -14.754 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.370 6.720 -12.801 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.714 5.557 -11.498 1.00 0.00 H new ATOM 0 HD13 ILE A 6 8.624 5.477 -13.025 1.00 0.00 H new ATOM 97 N ALA A 7 4.097 3.602 -14.592 1.00 0.00 N ATOM 98 CA ALA A 7 3.490 4.071 -15.831 1.00 0.00 C ATOM 99 C ALA A 7 3.893 5.511 -16.129 1.00 0.00 C ATOM 100 O ALA A 7 4.190 6.285 -15.218 1.00 0.00 O ATOM 101 CB ALA A 7 1.975 3.950 -15.755 1.00 0.00 C ATOM 0 H ALA A 7 3.633 3.930 -13.745 1.00 0.00 H new ATOM 0 HA ALA A 7 3.854 3.444 -16.645 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.535 4.304 -16.687 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.701 2.907 -15.597 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.603 4.552 -14.926 1.00 0.00 H new ATOM 107 N LYS A 8 3.902 5.865 -17.409 1.00 0.00 N ATOM 108 CA LYS A 8 4.268 7.213 -17.829 1.00 0.00 C ATOM 109 C LYS A 8 3.102 7.898 -18.535 1.00 0.00 C ATOM 110 O LYS A 8 2.073 7.287 -18.822 1.00 0.00 O ATOM 111 CB LYS A 8 5.485 7.168 -18.755 1.00 0.00 C ATOM 112 CG LYS A 8 5.944 5.759 -19.089 1.00 0.00 C ATOM 113 CD LYS A 8 7.358 5.750 -19.645 1.00 0.00 C ATOM 114 CE LYS A 8 7.436 6.479 -20.978 1.00 0.00 C ATOM 115 NZ LYS A 8 7.057 5.597 -22.116 1.00 0.00 N ATOM 0 H LYS A 8 3.660 5.237 -18.175 1.00 0.00 H new ATOM 0 HA LYS A 8 4.519 7.789 -16.938 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.246 7.692 -19.680 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.308 7.708 -18.286 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.900 5.139 -18.193 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.263 5.316 -19.816 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.034 6.221 -18.931 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.694 4.721 -19.771 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.777 7.347 -20.956 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.449 6.852 -21.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.809 5.615 -22.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.929 4.624 -21.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.168 5.935 -22.536 1.00 0.00 H new ATOM 129 N PRO A 9 3.266 9.197 -18.825 1.00 0.00 N ATOM 130 CA PRO A 9 2.239 9.993 -19.504 1.00 0.00 C ATOM 131 C PRO A 9 2.064 9.589 -20.963 1.00 0.00 C ATOM 132 O PRO A 9 2.891 9.920 -21.813 1.00 0.00 O ATOM 133 CB PRO A 9 2.775 11.423 -19.405 1.00 0.00 C ATOM 134 CG PRO A 9 4.251 11.266 -19.277 1.00 0.00 C ATOM 135 CD PRO A 9 4.467 9.990 -18.512 1.00 0.00 C ATOM 0 HA PRO A 9 1.256 9.860 -19.053 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.514 12.006 -20.288 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.356 11.944 -18.544 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.725 11.218 -20.257 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.690 12.115 -18.752 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.378 9.481 -18.828 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.559 10.174 -17.442 1.00 0.00 H new ATOM 143 N HIS A 10 0.981 8.873 -21.249 1.00 0.00 N ATOM 144 CA HIS A 10 0.020 8.496 -20.218 1.00 0.00 C ATOM 145 C HIS A 10 -0.320 7.012 -20.308 1.00 0.00 C ATOM 146 O HIS A 10 -0.817 6.540 -21.329 1.00 0.00 O ATOM 147 CB HIS A 10 -1.254 9.332 -20.349 1.00 0.00 C ATOM 148 CG HIS A 10 -1.225 10.598 -19.550 1.00 0.00 C ATOM 149 ND1 HIS A 10 -1.962 10.777 -18.398 1.00 0.00 N ATOM 150 CD2 HIS A 10 -0.541 11.750 -19.740 1.00 0.00 C ATOM 151 CE1 HIS A 10 -1.734 11.986 -17.916 1.00 0.00 C ATOM 152 NE2 HIS A 10 -0.875 12.597 -18.712 1.00 0.00 N ATOM 0 H HIS A 10 0.747 8.542 -22.185 1.00 0.00 H new ATOM 0 HA HIS A 10 0.474 8.688 -19.246 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.410 9.579 -21.399 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.107 8.732 -20.032 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.141 11.964 -20.550 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.175 12.404 -17.023 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.518 13.544 -18.584 1.00 0.00 H new ATOM 160 N ASN A 11 -0.046 6.281 -19.232 1.00 0.00 N ATOM 161 CA ASN A 11 -0.321 4.849 -19.190 1.00 0.00 C ATOM 162 C ASN A 11 0.687 4.077 -20.035 1.00 0.00 C ATOM 163 O ASN A 11 0.380 3.009 -20.566 1.00 0.00 O ATOM 164 CB ASN A 11 -1.741 4.567 -19.686 1.00 0.00 C ATOM 165 CG ASN A 11 -2.253 3.214 -19.232 1.00 0.00 C ATOM 166 OD1 ASN A 11 -2.200 2.883 -18.047 1.00 0.00 O ATOM 167 ND2 ASN A 11 -2.754 2.424 -20.175 1.00 0.00 N ATOM 0 H ASN A 11 0.366 6.657 -18.378 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.232 4.517 -18.156 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.411 5.346 -19.324 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.758 4.613 -20.775 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.115 1.502 -19.929 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.778 2.739 -21.145 1.00 0.00 H new ATOM 174 N CYS A 12 1.893 4.623 -20.154 1.00 0.00 N ATOM 175 CA CYS A 12 2.948 3.986 -20.933 1.00 0.00 C ATOM 176 C CYS A 12 3.889 3.195 -20.029 1.00 0.00 C ATOM 177 O CYS A 12 3.847 3.323 -18.806 1.00 0.00 O ATOM 178 CB CYS A 12 3.738 5.037 -21.715 1.00 0.00 C ATOM 179 SG CYS A 12 3.084 5.370 -23.382 1.00 0.00 S ATOM 0 H CYS A 12 2.164 5.506 -19.720 1.00 0.00 H new ATOM 0 HA CYS A 12 2.481 3.295 -21.635 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.746 5.967 -21.147 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.773 4.708 -21.802 1.00 0.00 H new ATOM 184 N VAL A 13 4.739 2.376 -20.641 1.00 0.00 N ATOM 185 CA VAL A 13 5.692 1.565 -19.894 1.00 0.00 C ATOM 186 C VAL A 13 7.071 2.215 -19.873 1.00 0.00 C ATOM 187 O VAL A 13 7.501 2.814 -20.859 1.00 0.00 O ATOM 188 CB VAL A 13 5.813 0.149 -20.489 1.00 0.00 C ATOM 189 CG1 VAL A 13 4.503 -0.270 -21.139 1.00 0.00 C ATOM 190 CG2 VAL A 13 6.958 0.089 -21.489 1.00 0.00 C ATOM 0 H VAL A 13 4.787 2.257 -21.653 1.00 0.00 H new ATOM 0 HA VAL A 13 5.313 1.492 -18.875 1.00 0.00 H new ATOM 0 HB VAL A 13 6.029 -0.550 -19.681 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.607 -1.273 -21.554 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.709 -0.267 -20.392 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.253 0.429 -21.937 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.030 -0.918 -21.900 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.774 0.798 -22.296 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.892 0.344 -20.988 1.00 0.00 H new ATOM 200 N TYR A 14 7.760 2.093 -18.744 1.00 0.00 N ATOM 201 CA TYR A 14 9.090 2.671 -18.594 1.00 0.00 C ATOM 202 C TYR A 14 10.170 1.643 -18.916 1.00 0.00 C ATOM 203 O TYR A 14 10.563 0.851 -18.060 1.00 0.00 O ATOM 204 CB TYR A 14 9.281 3.200 -17.171 1.00 0.00 C ATOM 205 CG TYR A 14 8.867 4.644 -17.002 1.00 0.00 C ATOM 206 CD1 TYR A 14 7.603 4.974 -16.530 1.00 0.00 C ATOM 207 CD2 TYR A 14 9.740 5.679 -17.314 1.00 0.00 C ATOM 208 CE1 TYR A 14 7.220 6.292 -16.374 1.00 0.00 C ATOM 209 CE2 TYR A 14 9.366 7.000 -17.160 1.00 0.00 C ATOM 210 CZ TYR A 14 8.105 7.301 -16.689 1.00 0.00 C ATOM 211 OH TYR A 14 7.728 8.616 -16.536 1.00 0.00 O ATOM 0 H TYR A 14 7.419 1.599 -17.919 1.00 0.00 H new ATOM 0 HA TYR A 14 9.181 3.499 -19.298 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.705 2.582 -16.482 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.329 3.096 -16.891 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.907 4.186 -16.281 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.728 5.447 -17.683 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.233 6.531 -16.007 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.057 7.792 -17.407 1.00 0.00 H new ATOM 0 HH TYR A 14 8.468 9.201 -16.801 1.00 0.00 H new ATOM 221 N GLU A 15 10.645 1.663 -20.157 1.00 0.00 N ATOM 222 CA GLU A 15 11.680 0.732 -20.593 1.00 0.00 C ATOM 223 C GLU A 15 12.986 0.981 -19.844 1.00 0.00 C ATOM 224 O GLU A 15 13.411 2.124 -19.676 1.00 0.00 O ATOM 225 CB GLU A 15 11.911 0.861 -22.100 1.00 0.00 C ATOM 226 CG GLU A 15 12.782 2.047 -22.483 1.00 0.00 C ATOM 227 CD GLU A 15 12.502 2.547 -23.886 1.00 0.00 C ATOM 228 OE1 GLU A 15 12.937 1.882 -24.850 1.00 0.00 O ATOM 229 OE2 GLU A 15 11.849 3.602 -24.022 1.00 0.00 O ATOM 0 H GLU A 15 10.330 2.313 -20.878 1.00 0.00 H new ATOM 0 HA GLU A 15 11.340 -0.279 -20.370 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.376 -0.054 -22.468 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.947 0.952 -22.600 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.618 2.858 -21.773 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.831 1.762 -22.405 1.00 0.00 H new ATOM 236 N CYS A 16 13.618 -0.099 -19.394 1.00 0.00 N ATOM 237 CA CYS A 16 14.874 0.000 -18.662 1.00 0.00 C ATOM 238 C CYS A 16 16.050 -0.422 -19.538 1.00 0.00 C ATOM 239 O CYS A 16 16.006 -1.463 -20.195 1.00 0.00 O ATOM 240 CB CYS A 16 14.825 -0.869 -17.403 1.00 0.00 C ATOM 241 SG CYS A 16 13.773 -2.348 -17.562 1.00 0.00 S ATOM 0 H CYS A 16 13.280 -1.052 -19.524 1.00 0.00 H new ATOM 0 HA CYS A 16 15.015 1.041 -18.372 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.838 -1.182 -17.151 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.462 -0.265 -16.571 1.00 0.00 H new ATOM 246 N TYR A 17 17.099 0.393 -19.543 1.00 0.00 N ATOM 247 CA TYR A 17 18.286 0.106 -20.340 1.00 0.00 C ATOM 248 C TYR A 17 19.429 -0.387 -19.458 1.00 0.00 C ATOM 249 O TYR A 17 20.180 -1.283 -19.839 1.00 0.00 O ATOM 250 CB TYR A 17 18.722 1.353 -21.111 1.00 0.00 C ATOM 251 CG TYR A 17 19.305 1.050 -22.473 1.00 0.00 C ATOM 252 CD1 TYR A 17 19.359 2.027 -23.460 1.00 0.00 C ATOM 253 CD2 TYR A 17 19.799 -0.213 -22.774 1.00 0.00 C ATOM 254 CE1 TYR A 17 19.889 1.755 -24.706 1.00 0.00 C ATOM 255 CE2 TYR A 17 20.333 -0.493 -24.017 1.00 0.00 C ATOM 256 CZ TYR A 17 20.375 0.494 -24.980 1.00 0.00 C ATOM 257 OH TYR A 17 20.905 0.218 -26.219 1.00 0.00 O ATOM 0 H TYR A 17 17.152 1.258 -19.004 1.00 0.00 H new ATOM 0 HA TYR A 17 18.034 -0.682 -21.050 1.00 0.00 H new ATOM 0 HB2 TYR A 17 17.864 2.014 -21.231 1.00 0.00 H new ATOM 0 HB3 TYR A 17 19.461 1.895 -20.521 1.00 0.00 H new ATOM 0 HD1 TYR A 17 18.980 3.016 -23.249 1.00 0.00 H new ATOM 0 HD2 TYR A 17 19.765 -0.989 -22.024 1.00 0.00 H new ATOM 0 HE1 TYR A 17 19.923 2.526 -25.462 1.00 0.00 H new ATOM 0 HE2 TYR A 17 20.716 -1.479 -24.234 1.00 0.00 H new ATOM 0 HH TYR A 17 21.203 -0.715 -26.247 1.00 0.00 H new ATOM 267 N ASN A 18 19.553 0.208 -18.276 1.00 0.00 N ATOM 268 CA ASN A 18 20.604 -0.169 -17.337 1.00 0.00 C ATOM 269 C ASN A 18 20.031 -0.970 -16.172 1.00 0.00 C ATOM 270 O ASN A 18 19.726 -0.432 -15.107 1.00 0.00 O ATOM 271 CB ASN A 18 21.319 1.077 -16.812 1.00 0.00 C ATOM 272 CG ASN A 18 22.770 0.808 -16.463 1.00 0.00 C ATOM 273 OD1 ASN A 18 23.202 -0.343 -16.402 1.00 0.00 O ATOM 274 ND2 ASN A 18 23.530 1.872 -16.232 1.00 0.00 N ATOM 0 H ASN A 18 18.939 0.953 -17.946 1.00 0.00 H new ATOM 0 HA ASN A 18 21.322 -0.795 -17.866 1.00 0.00 H new ATOM 0 HB2 ASN A 18 21.269 1.865 -17.564 1.00 0.00 H new ATOM 0 HB3 ASN A 18 20.798 1.446 -15.928 1.00 0.00 H new ATOM 0 HD21 ASN A 18 24.514 1.753 -15.993 1.00 0.00 H new ATOM 0 HD22 ASN A 18 23.129 2.808 -16.294 1.00 0.00 H new ATOM 281 N PRO A 19 19.881 -2.287 -16.376 1.00 0.00 N ATOM 282 CA PRO A 19 19.345 -3.191 -15.353 1.00 0.00 C ATOM 283 C PRO A 19 20.308 -3.381 -14.186 1.00 0.00 C ATOM 284 O PRO A 19 19.890 -3.659 -13.062 1.00 0.00 O ATOM 285 CB PRO A 19 19.154 -4.508 -16.109 1.00 0.00 C ATOM 286 CG PRO A 19 20.131 -4.446 -17.232 1.00 0.00 C ATOM 287 CD PRO A 19 20.224 -2.996 -17.620 1.00 0.00 C ATOM 0 HA PRO A 19 18.429 -2.804 -14.906 1.00 0.00 H new ATOM 0 HB2 PRO A 19 19.346 -5.366 -15.464 1.00 0.00 H new ATOM 0 HB3 PRO A 19 18.133 -4.608 -16.478 1.00 0.00 H new ATOM 0 HG2 PRO A 19 21.103 -4.831 -16.925 1.00 0.00 H new ATOM 0 HG3 PRO A 19 19.798 -5.054 -18.073 1.00 0.00 H new ATOM 0 HD2 PRO A 19 21.224 -2.736 -17.968 1.00 0.00 H new ATOM 0 HD3 PRO A 19 19.533 -2.751 -18.426 1.00 0.00 H new ATOM 295 N LYS A 20 21.600 -3.230 -14.460 1.00 0.00 N ATOM 296 CA LYS A 20 22.623 -3.384 -13.432 1.00 0.00 C ATOM 297 C LYS A 20 22.991 -2.034 -12.825 1.00 0.00 C ATOM 298 O LYS A 20 24.086 -1.861 -12.290 1.00 0.00 O ATOM 299 CB LYS A 20 23.870 -4.048 -14.021 1.00 0.00 C ATOM 300 CG LYS A 20 23.863 -5.562 -13.909 1.00 0.00 C ATOM 301 CD LYS A 20 24.332 -6.023 -12.539 1.00 0.00 C ATOM 302 CE LYS A 20 24.946 -7.413 -12.599 1.00 0.00 C ATOM 303 NZ LYS A 20 25.669 -7.754 -11.342 1.00 0.00 N ATOM 0 H LYS A 20 21.963 -3.001 -15.385 1.00 0.00 H new ATOM 0 HA LYS A 20 22.219 -4.019 -12.643 1.00 0.00 H new ATOM 0 HB2 LYS A 20 23.957 -3.770 -15.071 1.00 0.00 H new ATOM 0 HB3 LYS A 20 24.753 -3.659 -13.514 1.00 0.00 H new ATOM 0 HG2 LYS A 20 22.856 -5.937 -14.095 1.00 0.00 H new ATOM 0 HG3 LYS A 20 24.508 -5.987 -14.677 1.00 0.00 H new ATOM 0 HD2 LYS A 20 25.064 -5.317 -12.147 1.00 0.00 H new ATOM 0 HD3 LYS A 20 23.490 -6.026 -11.847 1.00 0.00 H new ATOM 0 HE2 LYS A 20 24.162 -8.149 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 20 25.635 -7.470 -13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 26.073 -8.709 -11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 26.433 -7.067 -11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 25.006 -7.725 -10.541 1.00 0.00 H new ATOM 317 N GLY A 21 22.069 -1.080 -12.911 1.00 0.00 N ATOM 318 CA GLY A 21 22.316 0.242 -12.364 1.00 0.00 C ATOM 319 C GLY A 21 21.145 0.762 -11.554 1.00 0.00 C ATOM 320 O GLY A 21 20.168 0.047 -11.332 1.00 0.00 O ATOM 0 H GLY A 21 21.156 -1.199 -13.349 1.00 0.00 H new ATOM 0 HA2 GLY A 21 23.205 0.211 -11.734 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.527 0.935 -13.178 1.00 0.00 H new ATOM 324 N SER A 22 21.243 2.011 -11.110 1.00 0.00 N ATOM 325 CA SER A 22 20.186 2.625 -10.314 1.00 0.00 C ATOM 326 C SER A 22 19.235 3.423 -11.200 1.00 0.00 C ATOM 327 O SER A 22 18.611 4.386 -10.751 1.00 0.00 O ATOM 328 CB SER A 22 20.789 3.535 -9.242 1.00 0.00 C ATOM 329 OG SER A 22 21.500 4.611 -9.828 1.00 0.00 O ATOM 0 H SER A 22 22.043 2.618 -11.288 1.00 0.00 H new ATOM 0 HA SER A 22 19.621 1.830 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.996 3.924 -8.603 1.00 0.00 H new ATOM 0 HB3 SER A 22 21.458 2.957 -8.604 1.00 0.00 H new ATOM 0 HG SER A 22 20.991 5.441 -9.713 1.00 0.00 H new ATOM 335 N TYR A 23 19.128 3.017 -12.460 1.00 0.00 N ATOM 336 CA TYR A 23 18.255 3.696 -13.411 1.00 0.00 C ATOM 337 C TYR A 23 16.794 3.578 -12.988 1.00 0.00 C ATOM 338 O TYR A 23 16.163 4.566 -12.611 1.00 0.00 O ATOM 339 CB TYR A 23 18.441 3.112 -14.812 1.00 0.00 C ATOM 340 CG TYR A 23 17.520 3.717 -15.847 1.00 0.00 C ATOM 341 CD1 TYR A 23 17.085 5.032 -15.734 1.00 0.00 C ATOM 342 CD2 TYR A 23 17.084 2.975 -16.938 1.00 0.00 C ATOM 343 CE1 TYR A 23 16.243 5.590 -16.677 1.00 0.00 C ATOM 344 CE2 TYR A 23 16.244 3.525 -17.886 1.00 0.00 C ATOM 345 CZ TYR A 23 15.826 4.832 -17.751 1.00 0.00 C ATOM 346 OH TYR A 23 14.987 5.383 -18.693 1.00 0.00 O ATOM 0 H TYR A 23 19.635 2.221 -12.847 1.00 0.00 H new ATOM 0 HA TYR A 23 18.526 4.752 -13.426 1.00 0.00 H new ATOM 0 HB2 TYR A 23 19.474 3.262 -15.125 1.00 0.00 H new ATOM 0 HB3 TYR A 23 18.273 2.036 -14.773 1.00 0.00 H new ATOM 0 HD1 TYR A 23 17.411 5.628 -14.894 1.00 0.00 H new ATOM 0 HD2 TYR A 23 17.408 1.950 -17.046 1.00 0.00 H new ATOM 0 HE1 TYR A 23 15.914 6.613 -16.574 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.916 2.935 -18.729 1.00 0.00 H new ATOM 0 HH TYR A 23 14.789 4.717 -19.384 1.00 0.00 H new ATOM 356 N CYS A 24 16.262 2.362 -13.053 1.00 0.00 N ATOM 357 CA CYS A 24 14.876 2.112 -12.677 1.00 0.00 C ATOM 358 C CYS A 24 14.659 2.378 -11.190 1.00 0.00 C ATOM 359 O CYS A 24 13.599 2.851 -10.782 1.00 0.00 O ATOM 360 CB CYS A 24 14.487 0.671 -13.011 1.00 0.00 C ATOM 361 SG CYS A 24 12.777 0.238 -12.557 1.00 0.00 S ATOM 0 H CYS A 24 16.770 1.534 -13.363 1.00 0.00 H new ATOM 0 HA CYS A 24 14.243 2.793 -13.246 1.00 0.00 H new ATOM 0 HB2 CYS A 24 14.620 0.509 -14.081 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.170 -0.006 -12.499 1.00 0.00 H new ATOM 366 N ASN A 25 15.671 2.070 -10.386 1.00 0.00 N ATOM 367 CA ASN A 25 15.591 2.275 -8.944 1.00 0.00 C ATOM 368 C ASN A 25 15.307 3.738 -8.618 1.00 0.00 C ATOM 369 O ASN A 25 14.276 4.065 -8.031 1.00 0.00 O ATOM 370 CB ASN A 25 16.894 1.835 -8.272 1.00 0.00 C ATOM 371 CG ASN A 25 16.674 1.331 -6.859 1.00 0.00 C ATOM 372 OD1 ASN A 25 16.320 0.171 -6.650 1.00 0.00 O ATOM 373 ND2 ASN A 25 16.883 2.204 -5.881 1.00 0.00 N ATOM 0 H ASN A 25 16.556 1.678 -10.708 1.00 0.00 H new ATOM 0 HA ASN A 25 14.770 1.669 -8.561 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.359 1.049 -8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 25 17.590 2.673 -8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 25 16.751 1.923 -4.909 1.00 0.00 H new ATOM 0 HD22 ASN A 25 17.176 3.156 -6.101 1.00 0.00 H new ATOM 380 N ASP A 26 16.229 4.614 -9.002 1.00 0.00 N ATOM 381 CA ASP A 26 16.078 6.043 -8.752 1.00 0.00 C ATOM 382 C ASP A 26 14.756 6.556 -9.315 1.00 0.00 C ATOM 383 O ASP A 26 13.991 7.225 -8.620 1.00 0.00 O ATOM 384 CB ASP A 26 17.244 6.816 -9.370 1.00 0.00 C ATOM 385 CG ASP A 26 18.540 6.612 -8.611 1.00 0.00 C ATOM 386 OD1 ASP A 26 18.479 6.289 -7.406 1.00 0.00 O ATOM 387 OD2 ASP A 26 19.617 6.775 -9.223 1.00 0.00 O ATOM 0 H ASP A 26 17.089 4.360 -9.488 1.00 0.00 H new ATOM 0 HA ASP A 26 16.079 6.201 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 26 17.378 6.500 -10.404 1.00 0.00 H new ATOM 0 HB3 ASP A 26 17.002 7.879 -9.391 1.00 0.00 H new ATOM 392 N LEU A 27 14.494 6.239 -10.578 1.00 0.00 N ATOM 393 CA LEU A 27 13.264 6.668 -11.236 1.00 0.00 C ATOM 394 C LEU A 27 12.039 6.136 -10.499 1.00 0.00 C ATOM 395 O LEU A 27 11.025 6.825 -10.380 1.00 0.00 O ATOM 396 CB LEU A 27 13.247 6.192 -12.689 1.00 0.00 C ATOM 397 CG LEU A 27 11.871 5.874 -13.275 1.00 0.00 C ATOM 398 CD1 LEU A 27 10.955 7.084 -13.174 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.999 5.419 -14.721 1.00 0.00 C ATOM 0 H LEU A 27 15.117 5.686 -11.167 1.00 0.00 H new ATOM 0 HA LEU A 27 13.231 7.757 -11.217 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.715 6.959 -13.307 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.867 5.299 -12.765 1.00 0.00 H new ATOM 0 HG LEU A 27 11.431 5.061 -12.697 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.980 6.839 -13.596 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.837 7.365 -12.127 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.390 7.917 -13.726 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.010 5.197 -15.122 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.461 6.210 -15.312 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.618 4.523 -14.767 1.00 0.00 H new ATOM 411 N CYS A 28 12.139 4.907 -10.006 1.00 0.00 N ATOM 412 CA CYS A 28 11.040 4.282 -9.279 1.00 0.00 C ATOM 413 C CYS A 28 10.758 5.024 -7.976 1.00 0.00 C ATOM 414 O CYS A 28 9.634 5.462 -7.728 1.00 0.00 O ATOM 415 CB CYS A 28 11.365 2.816 -8.984 1.00 0.00 C ATOM 416 SG CYS A 28 10.840 1.661 -10.292 1.00 0.00 S ATOM 0 H CYS A 28 12.970 4.323 -10.096 1.00 0.00 H new ATOM 0 HA CYS A 28 10.149 4.331 -9.905 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.440 2.716 -8.836 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.886 2.530 -8.048 1.00 0.00 H new ATOM 421 N THR A 29 11.787 5.162 -7.145 1.00 0.00 N ATOM 422 CA THR A 29 11.650 5.849 -5.867 1.00 0.00 C ATOM 423 C THR A 29 11.303 7.320 -6.069 1.00 0.00 C ATOM 424 O THR A 29 10.588 7.914 -5.262 1.00 0.00 O ATOM 425 CB THR A 29 12.942 5.749 -5.034 1.00 0.00 C ATOM 426 OG1 THR A 29 13.803 6.855 -5.329 1.00 0.00 O ATOM 427 CG2 THR A 29 13.670 4.444 -5.320 1.00 0.00 C ATOM 0 H THR A 29 12.724 4.807 -7.335 1.00 0.00 H new ATOM 0 HA THR A 29 10.840 5.357 -5.329 1.00 0.00 H new ATOM 0 HB THR A 29 12.670 5.772 -3.979 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.621 6.784 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.579 4.396 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.023 3.604 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.930 4.396 -6.378 1.00 0.00 H new ATOM 435 N GLU A 30 11.812 7.901 -7.150 1.00 0.00 N ATOM 436 CA GLU A 30 11.555 9.303 -7.457 1.00 0.00 C ATOM 437 C GLU A 30 10.055 9.579 -7.523 1.00 0.00 C ATOM 438 O GLU A 30 9.616 10.719 -7.376 1.00 0.00 O ATOM 439 CB GLU A 30 12.214 9.688 -8.783 1.00 0.00 C ATOM 440 CG GLU A 30 13.629 10.221 -8.627 1.00 0.00 C ATOM 441 CD GLU A 30 14.369 10.306 -9.947 1.00 0.00 C ATOM 442 OE1 GLU A 30 13.729 10.098 -11.000 1.00 0.00 O ATOM 443 OE2 GLU A 30 15.587 10.581 -9.929 1.00 0.00 O ATOM 0 H GLU A 30 12.405 7.423 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 30 11.984 9.908 -6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.233 8.816 -9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.603 10.443 -9.277 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.592 11.210 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.183 9.576 -7.945 1.00 0.00 H new ATOM 450 N ASN A 31 9.275 8.526 -7.746 1.00 0.00 N ATOM 451 CA ASN A 31 7.825 8.654 -7.833 1.00 0.00 C ATOM 452 C ASN A 31 7.157 8.146 -6.559 1.00 0.00 C ATOM 453 O ASN A 31 5.981 7.783 -6.564 1.00 0.00 O ATOM 454 CB ASN A 31 7.296 7.881 -9.043 1.00 0.00 C ATOM 455 CG ASN A 31 7.798 8.448 -10.356 1.00 0.00 C ATOM 456 OD1 ASN A 31 7.011 8.870 -11.204 1.00 0.00 O ATOM 457 ND2 ASN A 31 9.114 8.462 -10.531 1.00 0.00 N ATOM 0 H ASN A 31 9.623 7.575 -7.870 1.00 0.00 H new ATOM 0 HA ASN A 31 7.585 9.710 -7.952 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.597 6.836 -8.963 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.206 7.901 -9.035 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.510 8.833 -11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.729 8.102 -9.801 1.00 0.00 H new ATOM 464 N GLY A 32 7.915 8.125 -5.467 1.00 0.00 N ATOM 465 CA GLY A 32 7.380 7.661 -4.201 1.00 0.00 C ATOM 466 C GLY A 32 7.423 6.151 -4.071 1.00 0.00 C ATOM 467 O GLY A 32 6.384 5.491 -4.083 1.00 0.00 O ATOM 0 H GLY A 32 8.891 8.421 -5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.947 8.109 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.350 8.002 -4.099 1.00 0.00 H new ATOM 471 N ALA A 33 8.627 5.603 -3.949 1.00 0.00 N ATOM 472 CA ALA A 33 8.801 4.162 -3.817 1.00 0.00 C ATOM 473 C ALA A 33 10.044 3.832 -2.998 1.00 0.00 C ATOM 474 O ALA A 33 10.955 4.651 -2.878 1.00 0.00 O ATOM 475 CB ALA A 33 8.884 3.512 -5.190 1.00 0.00 C ATOM 0 H ALA A 33 9.497 6.135 -3.939 1.00 0.00 H new ATOM 0 HA ALA A 33 7.934 3.763 -3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.014 2.436 -5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.965 3.710 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.732 3.924 -5.737 1.00 0.00 H new ATOM 481 N GLU A 34 10.074 2.628 -2.435 1.00 0.00 N ATOM 482 CA GLU A 34 11.206 2.192 -1.625 1.00 0.00 C ATOM 483 C GLU A 34 12.412 1.870 -2.504 1.00 0.00 C ATOM 484 O GLU A 34 13.548 2.195 -2.160 1.00 0.00 O ATOM 485 CB GLU A 34 10.825 0.965 -0.795 1.00 0.00 C ATOM 486 CG GLU A 34 11.651 0.805 0.470 1.00 0.00 C ATOM 487 CD GLU A 34 13.116 0.538 0.180 1.00 0.00 C ATOM 488 OE1 GLU A 34 13.929 1.474 0.327 1.00 0.00 O ATOM 489 OE2 GLU A 34 13.448 -0.606 -0.194 1.00 0.00 O ATOM 0 H GLU A 34 9.328 1.938 -2.525 1.00 0.00 H new ATOM 0 HA GLU A 34 11.475 3.007 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.771 1.033 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.940 0.072 -1.409 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.563 1.708 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.246 -0.015 1.063 1.00 0.00 H new ATOM 496 N SER A 35 12.155 1.230 -3.640 1.00 0.00 N ATOM 497 CA SER A 35 13.219 0.860 -4.566 1.00 0.00 C ATOM 498 C SER A 35 12.648 0.516 -5.939 1.00 0.00 C ATOM 499 O SER A 35 11.445 0.630 -6.170 1.00 0.00 O ATOM 500 CB SER A 35 14.010 -0.329 -4.018 1.00 0.00 C ATOM 501 OG SER A 35 14.736 0.034 -2.856 1.00 0.00 O ATOM 0 H SER A 35 11.220 0.957 -3.941 1.00 0.00 H new ATOM 0 HA SER A 35 13.888 1.714 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.328 -1.147 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.697 -0.695 -4.781 1.00 0.00 H new ATOM 0 HG SER A 35 14.655 0.999 -2.708 1.00 0.00 H new ATOM 507 N GLY A 36 13.523 0.095 -6.848 1.00 0.00 N ATOM 508 CA GLY A 36 13.089 -0.258 -8.187 1.00 0.00 C ATOM 509 C GLY A 36 14.215 -0.822 -9.031 1.00 0.00 C ATOM 510 O GLY A 36 15.390 -0.592 -8.745 1.00 0.00 O ATOM 0 H GLY A 36 14.524 -0.008 -6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.284 -0.991 -8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.678 0.625 -8.677 1.00 0.00 H new ATOM 514 N TYR A 37 13.856 -1.565 -10.072 1.00 0.00 N ATOM 515 CA TYR A 37 14.845 -2.167 -10.958 1.00 0.00 C ATOM 516 C TYR A 37 14.208 -2.588 -12.279 1.00 0.00 C ATOM 517 O TYR A 37 12.987 -2.547 -12.435 1.00 0.00 O ATOM 518 CB TYR A 37 15.495 -3.377 -10.284 1.00 0.00 C ATOM 519 CG TYR A 37 14.651 -4.629 -10.344 1.00 0.00 C ATOM 520 CD1 TYR A 37 15.237 -5.888 -10.308 1.00 0.00 C ATOM 521 CD2 TYR A 37 13.266 -4.555 -10.437 1.00 0.00 C ATOM 522 CE1 TYR A 37 14.470 -7.036 -10.363 1.00 0.00 C ATOM 523 CE2 TYR A 37 12.491 -5.697 -10.491 1.00 0.00 C ATOM 524 CZ TYR A 37 13.098 -6.935 -10.454 1.00 0.00 C ATOM 525 OH TYR A 37 12.329 -8.075 -10.509 1.00 0.00 O ATOM 0 H TYR A 37 12.888 -1.765 -10.323 1.00 0.00 H new ATOM 0 HA TYR A 37 15.611 -1.420 -11.166 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.456 -3.574 -10.759 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.698 -3.136 -9.241 1.00 0.00 H new ATOM 0 HD1 TYR A 37 16.311 -5.971 -10.236 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.787 -3.587 -10.468 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.942 -8.007 -10.335 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.416 -5.621 -10.562 1.00 0.00 H new ATOM 0 HH TYR A 37 11.382 -7.828 -10.570 1.00 0.00 H new ATOM 535 N CYS A 38 15.044 -2.995 -13.228 1.00 0.00 N ATOM 536 CA CYS A 38 14.566 -3.424 -14.537 1.00 0.00 C ATOM 537 C CYS A 38 13.934 -4.811 -14.457 1.00 0.00 C ATOM 538 O CYS A 38 14.544 -5.753 -13.952 1.00 0.00 O ATOM 539 CB CYS A 38 15.716 -3.434 -15.546 1.00 0.00 C ATOM 540 SG CYS A 38 15.211 -3.849 -17.246 1.00 0.00 S ATOM 0 H CYS A 38 16.057 -3.037 -13.115 1.00 0.00 H new ATOM 0 HA CYS A 38 13.807 -2.716 -14.869 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.191 -2.453 -15.549 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.468 -4.151 -15.217 1.00 0.00 H new ATOM 545 N GLN A 39 12.709 -4.927 -14.959 1.00 0.00 N ATOM 546 CA GLN A 39 11.995 -6.198 -14.943 1.00 0.00 C ATOM 547 C GLN A 39 11.967 -6.824 -16.334 1.00 0.00 C ATOM 548 O GLN A 39 11.438 -6.237 -17.278 1.00 0.00 O ATOM 549 CB GLN A 39 10.566 -5.998 -14.433 1.00 0.00 C ATOM 550 CG GLN A 39 10.019 -7.195 -13.673 1.00 0.00 C ATOM 551 CD GLN A 39 10.451 -8.517 -14.277 1.00 0.00 C ATOM 552 OE1 GLN A 39 9.718 -9.124 -15.059 1.00 0.00 O ATOM 553 NE2 GLN A 39 11.645 -8.971 -13.917 1.00 0.00 N ATOM 0 H GLN A 39 12.191 -4.157 -15.382 1.00 0.00 H new ATOM 0 HA GLN A 39 12.523 -6.874 -14.270 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.540 -5.123 -13.784 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.913 -5.786 -15.280 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.354 -7.147 -12.637 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.930 -7.145 -13.659 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.219 -8.435 -13.266 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.988 -9.856 -14.291 1.00 0.00 H new ATOM 562 N ILE A 40 12.541 -8.016 -16.452 1.00 0.00 N ATOM 563 CA ILE A 40 12.582 -8.721 -17.727 1.00 0.00 C ATOM 564 C ILE A 40 11.339 -9.584 -17.918 1.00 0.00 C ATOM 565 O ILE A 40 10.774 -9.646 -19.011 1.00 0.00 O ATOM 566 CB ILE A 40 13.833 -9.612 -17.838 1.00 0.00 C ATOM 567 CG1 ILE A 40 14.955 -9.065 -16.953 1.00 0.00 C ATOM 568 CG2 ILE A 40 14.291 -9.704 -19.286 1.00 0.00 C ATOM 569 CD1 ILE A 40 15.275 -7.610 -17.213 1.00 0.00 C ATOM 0 H ILE A 40 12.984 -8.514 -15.680 1.00 0.00 H new ATOM 0 HA ILE A 40 12.617 -7.960 -18.507 1.00 0.00 H new ATOM 0 HB ILE A 40 13.579 -10.614 -17.493 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.673 -9.185 -15.907 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.854 -9.660 -17.111 1.00 0.00 H new ATOM 0 HG21 ILE A 40 15.176 -10.337 -19.348 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.494 -10.134 -19.893 1.00 0.00 H new ATOM 0 HG23 ILE A 40 14.531 -8.707 -19.656 1.00 0.00 H new ATOM 0 HD11 ILE A 40 16.079 -7.290 -16.550 1.00 0.00 H new ATOM 0 HD12 ILE A 40 15.588 -7.486 -18.250 1.00 0.00 H new ATOM 0 HD13 ILE A 40 14.389 -7.004 -17.027 1.00 0.00 H new ATOM 581 N LEU A 41 10.916 -10.247 -16.848 1.00 0.00 N ATOM 582 CA LEU A 41 9.738 -11.106 -16.896 1.00 0.00 C ATOM 583 C LEU A 41 8.459 -10.275 -16.914 1.00 0.00 C ATOM 584 O LEU A 41 7.522 -10.542 -16.162 1.00 0.00 O ATOM 585 CB LEU A 41 9.725 -12.056 -15.697 1.00 0.00 C ATOM 586 CG LEU A 41 10.539 -13.341 -15.850 1.00 0.00 C ATOM 587 CD1 LEU A 41 10.176 -14.052 -17.145 1.00 0.00 C ATOM 588 CD2 LEU A 41 12.030 -13.037 -15.807 1.00 0.00 C ATOM 0 H LEU A 41 11.371 -10.206 -15.936 1.00 0.00 H new ATOM 0 HA LEU A 41 9.783 -11.691 -17.815 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.097 -11.515 -14.827 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.691 -12.328 -15.485 1.00 0.00 H new ATOM 0 HG LEU A 41 10.299 -14.001 -15.017 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.765 -14.964 -17.237 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.116 -14.304 -17.137 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.387 -13.397 -17.991 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.594 -13.963 -15.917 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.286 -12.357 -16.620 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.279 -12.572 -14.853 1.00 0.00 H new ATOM 600 N GLY A 42 8.426 -9.267 -17.781 1.00 0.00 N ATOM 601 CA GLY A 42 7.257 -8.414 -17.883 1.00 0.00 C ATOM 602 C GLY A 42 6.327 -8.835 -19.004 1.00 0.00 C ATOM 603 O GLY A 42 6.775 -9.154 -20.105 1.00 0.00 O ATOM 0 H GLY A 42 9.188 -9.026 -18.414 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.714 -8.433 -16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.576 -7.385 -18.047 1.00 0.00 H new ATOM 607 N LYS A 43 5.029 -8.840 -18.723 1.00 0.00 N ATOM 608 CA LYS A 43 4.032 -9.226 -19.715 1.00 0.00 C ATOM 609 C LYS A 43 4.191 -8.407 -20.993 1.00 0.00 C ATOM 610 O LYS A 43 3.803 -8.847 -22.076 1.00 0.00 O ATOM 611 CB LYS A 43 2.622 -9.041 -19.151 1.00 0.00 C ATOM 612 CG LYS A 43 2.374 -9.814 -17.867 1.00 0.00 C ATOM 613 CD LYS A 43 1.235 -9.210 -17.064 1.00 0.00 C ATOM 614 CE LYS A 43 0.984 -9.988 -15.781 1.00 0.00 C ATOM 615 NZ LYS A 43 0.147 -11.197 -16.020 1.00 0.00 N ATOM 0 H LYS A 43 4.642 -8.581 -17.816 1.00 0.00 H new ATOM 0 HA LYS A 43 4.185 -10.278 -19.956 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.450 -7.981 -18.966 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.896 -9.355 -19.901 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.142 -10.852 -18.105 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.282 -9.821 -17.264 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.469 -8.173 -16.822 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.328 -9.200 -17.668 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.937 -10.287 -15.345 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.490 -9.342 -15.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.001 -11.700 -15.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.773 -10.911 -16.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.630 -11.826 -16.693 1.00 0.00 H new ATOM 629 N TYR A 44 4.766 -7.217 -20.860 1.00 0.00 N ATOM 630 CA TYR A 44 4.975 -6.337 -22.004 1.00 0.00 C ATOM 631 C TYR A 44 6.462 -6.189 -22.312 1.00 0.00 C ATOM 632 O TYR A 44 6.888 -5.204 -22.912 1.00 0.00 O ATOM 633 CB TYR A 44 4.359 -4.963 -21.736 1.00 0.00 C ATOM 634 CG TYR A 44 3.164 -5.005 -20.811 1.00 0.00 C ATOM 635 CD1 TYR A 44 1.880 -5.183 -21.312 1.00 0.00 C ATOM 636 CD2 TYR A 44 3.317 -4.865 -19.438 1.00 0.00 C ATOM 637 CE1 TYR A 44 0.784 -5.222 -20.471 1.00 0.00 C ATOM 638 CE2 TYR A 44 2.228 -4.904 -18.589 1.00 0.00 C ATOM 639 CZ TYR A 44 0.963 -5.082 -19.111 1.00 0.00 C ATOM 640 OH TYR A 44 -0.125 -5.119 -18.269 1.00 0.00 O ATOM 0 H TYR A 44 5.096 -6.839 -19.972 1.00 0.00 H new ATOM 0 HA TYR A 44 4.486 -6.784 -22.869 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.119 -4.311 -21.305 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.058 -4.518 -22.684 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.736 -5.293 -22.377 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.305 -4.723 -19.026 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.207 -5.361 -20.877 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.366 -4.796 -17.523 1.00 0.00 H new ATOM 0 HH TYR A 44 0.174 -5.006 -17.343 1.00 0.00 H new ATOM 650 N GLY A 45 7.247 -7.179 -21.897 1.00 0.00 N ATOM 651 CA GLY A 45 8.678 -7.141 -22.137 1.00 0.00 C ATOM 652 C GLY A 45 9.447 -6.556 -20.969 1.00 0.00 C ATOM 653 O GLY A 45 9.198 -6.906 -19.817 1.00 0.00 O ATOM 0 H GLY A 45 6.918 -8.006 -21.399 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.037 -8.151 -22.335 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.878 -6.551 -23.031 1.00 0.00 H new ATOM 657 N ASN A 46 10.385 -5.664 -21.268 1.00 0.00 N ATOM 658 CA ASN A 46 11.195 -5.031 -20.234 1.00 0.00 C ATOM 659 C ASN A 46 10.545 -3.739 -19.748 1.00 0.00 C ATOM 660 O ASN A 46 10.453 -2.761 -20.490 1.00 0.00 O ATOM 661 CB ASN A 46 12.601 -4.740 -20.764 1.00 0.00 C ATOM 662 CG ASN A 46 13.528 -5.932 -20.630 1.00 0.00 C ATOM 663 OD1 ASN A 46 13.970 -6.504 -21.626 1.00 0.00 O ATOM 664 ND2 ASN A 46 13.826 -6.313 -19.393 1.00 0.00 N ATOM 0 H ASN A 46 10.603 -5.363 -22.218 1.00 0.00 H new ATOM 0 HA ASN A 46 11.267 -5.720 -19.392 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.538 -4.448 -21.812 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.022 -3.893 -20.222 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.444 -7.110 -19.240 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.436 -5.809 -18.596 1.00 0.00 H new ATOM 671 N ALA A 47 10.096 -3.742 -18.498 1.00 0.00 N ATOM 672 CA ALA A 47 9.457 -2.570 -17.912 1.00 0.00 C ATOM 673 C ALA A 47 10.026 -2.268 -16.530 1.00 0.00 C ATOM 674 O ALA A 47 10.339 -3.180 -15.763 1.00 0.00 O ATOM 675 CB ALA A 47 7.951 -2.775 -17.832 1.00 0.00 C ATOM 0 H ALA A 47 10.163 -4.544 -17.871 1.00 0.00 H new ATOM 0 HA ALA A 47 9.663 -1.715 -18.555 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.486 -1.892 -17.393 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.552 -2.934 -18.834 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.735 -3.645 -17.212 1.00 0.00 H new ATOM 681 N CYS A 48 10.158 -0.983 -16.217 1.00 0.00 N ATOM 682 CA CYS A 48 10.691 -0.560 -14.928 1.00 0.00 C ATOM 683 C CYS A 48 9.760 -0.976 -13.792 1.00 0.00 C ATOM 684 O CYS A 48 8.684 -0.404 -13.617 1.00 0.00 O ATOM 685 CB CYS A 48 10.891 0.956 -14.908 1.00 0.00 C ATOM 686 SG CYS A 48 11.550 1.599 -13.336 1.00 0.00 S ATOM 0 H CYS A 48 9.903 -0.216 -16.839 1.00 0.00 H new ATOM 0 HA CYS A 48 11.654 -1.049 -14.783 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.570 1.233 -15.714 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.937 1.440 -15.115 1.00 0.00 H new ATOM 691 N TRP A 49 10.182 -1.974 -13.025 1.00 0.00 N ATOM 692 CA TRP A 49 9.387 -2.467 -11.906 1.00 0.00 C ATOM 693 C TRP A 49 9.812 -1.802 -10.601 1.00 0.00 C ATOM 694 O TRP A 49 10.962 -1.921 -10.179 1.00 0.00 O ATOM 695 CB TRP A 49 9.522 -3.986 -11.786 1.00 0.00 C ATOM 696 CG TRP A 49 8.850 -4.548 -10.571 1.00 0.00 C ATOM 697 CD1 TRP A 49 9.349 -4.583 -9.300 1.00 0.00 C ATOM 698 CD2 TRP A 49 7.555 -5.158 -10.513 1.00 0.00 C ATOM 699 NE1 TRP A 49 8.443 -5.178 -8.456 1.00 0.00 N ATOM 700 CE2 TRP A 49 7.334 -5.539 -9.175 1.00 0.00 C ATOM 701 CE3 TRP A 49 6.561 -5.418 -11.460 1.00 0.00 C ATOM 702 CZ2 TRP A 49 6.161 -6.166 -8.764 1.00 0.00 C ATOM 703 CZ3 TRP A 49 5.397 -6.040 -11.051 1.00 0.00 C ATOM 704 CH2 TRP A 49 5.204 -6.408 -9.713 1.00 0.00 C ATOM 0 H TRP A 49 11.070 -2.458 -13.157 1.00 0.00 H new ATOM 0 HA TRP A 49 8.344 -2.216 -12.097 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.098 -4.453 -12.675 1.00 0.00 H new ATOM 0 HB3 TRP A 49 10.580 -4.249 -11.762 1.00 0.00 H new ATOM 0 HD1 TRP A 49 10.314 -4.199 -9.002 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.575 -5.327 -7.456 1.00 0.00 H new ATOM 0 HE3 TRP A 49 6.700 -5.138 -12.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.011 -6.451 -7.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 4.623 -6.246 -11.775 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.283 -6.892 -9.425 1.00 0.00 H new ATOM 715 N CYS A 50 8.878 -1.102 -9.967 1.00 0.00 N ATOM 716 CA CYS A 50 9.156 -0.417 -8.710 1.00 0.00 C ATOM 717 C CYS A 50 8.716 -1.265 -7.520 1.00 0.00 C ATOM 718 O CYS A 50 7.682 -1.931 -7.568 1.00 0.00 O ATOM 719 CB CYS A 50 8.446 0.938 -8.675 1.00 0.00 C ATOM 720 SG CYS A 50 8.747 1.973 -10.143 1.00 0.00 S ATOM 0 H CYS A 50 7.921 -0.994 -10.303 1.00 0.00 H new ATOM 0 HA CYS A 50 10.232 -0.257 -8.642 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.373 0.772 -8.575 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.769 1.482 -7.787 1.00 0.00 H new ATOM 725 N ILE A 51 9.509 -1.235 -6.454 1.00 0.00 N ATOM 726 CA ILE A 51 9.201 -1.999 -5.252 1.00 0.00 C ATOM 727 C ILE A 51 8.686 -1.091 -4.140 1.00 0.00 C ATOM 728 O ILE A 51 9.235 -0.016 -3.900 1.00 0.00 O ATOM 729 CB ILE A 51 10.435 -2.767 -4.742 1.00 0.00 C ATOM 730 CG1 ILE A 51 10.837 -3.852 -5.743 1.00 0.00 C ATOM 731 CG2 ILE A 51 10.152 -3.377 -3.377 1.00 0.00 C ATOM 732 CD1 ILE A 51 11.656 -3.330 -6.903 1.00 0.00 C ATOM 0 H ILE A 51 10.369 -0.690 -6.399 1.00 0.00 H new ATOM 0 HA ILE A 51 8.424 -2.714 -5.523 1.00 0.00 H new ATOM 0 HB ILE A 51 11.264 -2.067 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.408 -4.621 -5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.937 -4.330 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.033 -3.916 -3.030 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.908 -2.586 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.311 -4.067 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.905 -4.154 -7.572 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.080 -2.582 -7.447 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.574 -2.878 -6.526 1.00 0.00 H new ATOM 744 N GLN A 52 7.630 -1.532 -3.465 1.00 0.00 N ATOM 745 CA GLN A 52 7.041 -0.759 -2.378 1.00 0.00 C ATOM 746 C GLN A 52 6.407 0.524 -2.903 1.00 0.00 C ATOM 747 O GLN A 52 6.413 1.554 -2.227 1.00 0.00 O ATOM 748 CB GLN A 52 8.103 -0.425 -1.329 1.00 0.00 C ATOM 749 CG GLN A 52 8.219 -1.466 -0.227 1.00 0.00 C ATOM 750 CD GLN A 52 7.266 -1.207 0.923 1.00 0.00 C ATOM 751 OE1 GLN A 52 7.620 -0.550 1.903 1.00 0.00 O ATOM 752 NE2 GLN A 52 6.047 -1.723 0.810 1.00 0.00 N ATOM 0 H GLN A 52 7.165 -2.420 -3.651 1.00 0.00 H new ATOM 0 HA GLN A 52 6.261 -1.365 -1.916 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.069 -0.322 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.869 0.541 -0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.020 -2.454 -0.643 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.242 -1.479 0.150 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.796 -2.261 -0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.362 -1.581 1.553 1.00 0.00 H new ATOM 761 N LEU A 53 5.861 0.456 -4.112 1.00 0.00 N ATOM 762 CA LEU A 53 5.222 1.613 -4.729 1.00 0.00 C ATOM 763 C LEU A 53 3.762 1.723 -4.301 1.00 0.00 C ATOM 764 O LEU A 53 3.007 0.751 -4.329 1.00 0.00 O ATOM 765 CB LEU A 53 5.312 1.518 -6.254 1.00 0.00 C ATOM 766 CG LEU A 53 5.217 2.840 -7.016 1.00 0.00 C ATOM 767 CD1 LEU A 53 6.414 3.724 -6.703 1.00 0.00 C ATOM 768 CD2 LEU A 53 5.115 2.586 -8.513 1.00 0.00 C ATOM 0 H LEU A 53 5.848 -0.388 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 53 5.748 2.507 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.257 1.040 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.516 0.862 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 53 4.315 3.359 -6.694 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.329 4.660 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.442 3.934 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.331 3.212 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.048 3.538 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.999 2.045 -8.851 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.225 1.993 -8.722 1.00 0.00 H new ATOM 780 N PRO A 54 3.354 2.934 -3.895 1.00 0.00 N ATOM 781 CA PRO A 54 1.981 3.201 -3.456 1.00 0.00 C ATOM 782 C PRO A 54 0.982 3.140 -4.606 1.00 0.00 C ATOM 783 O PRO A 54 1.325 3.423 -5.754 1.00 0.00 O ATOM 784 CB PRO A 54 2.059 4.621 -2.889 1.00 0.00 C ATOM 785 CG PRO A 54 3.213 5.246 -3.593 1.00 0.00 C ATOM 786 CD PRO A 54 4.200 4.138 -3.836 1.00 0.00 C ATOM 0 HA PRO A 54 1.632 2.459 -2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.137 5.172 -3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.213 4.609 -1.810 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.897 5.700 -4.532 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.656 6.038 -2.989 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.751 4.288 -4.764 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.936 4.073 -3.035 1.00 0.00 H new ATOM 794 N ASP A 55 -0.255 2.771 -4.291 1.00 0.00 N ATOM 795 CA ASP A 55 -1.304 2.675 -5.299 1.00 0.00 C ATOM 796 C ASP A 55 -1.625 4.048 -5.881 1.00 0.00 C ATOM 797 O ASP A 55 -2.407 4.166 -6.823 1.00 0.00 O ATOM 798 CB ASP A 55 -2.566 2.057 -4.694 1.00 0.00 C ATOM 799 CG ASP A 55 -2.395 0.584 -4.378 1.00 0.00 C ATOM 800 OD1 ASP A 55 -3.316 -0.005 -3.774 1.00 0.00 O ATOM 801 OD2 ASP A 55 -1.340 0.019 -4.736 1.00 0.00 O ATOM 0 H ASP A 55 -0.556 2.534 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.944 2.034 -6.104 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.828 2.593 -3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.397 2.183 -5.388 1.00 0.00 H new ATOM 806 N ASN A 56 -1.015 5.083 -5.313 1.00 0.00 N ATOM 807 CA ASN A 56 -1.237 6.449 -5.776 1.00 0.00 C ATOM 808 C ASN A 56 -0.513 6.701 -7.095 1.00 0.00 C ATOM 809 O ASN A 56 -0.914 7.559 -7.881 1.00 0.00 O ATOM 810 CB ASN A 56 -0.763 7.450 -4.721 1.00 0.00 C ATOM 811 CG ASN A 56 -1.663 7.475 -3.500 1.00 0.00 C ATOM 812 OD1 ASN A 56 -2.800 7.006 -3.545 1.00 0.00 O ATOM 813 ND2 ASN A 56 -1.156 8.023 -2.403 1.00 0.00 N ATOM 0 H ASN A 56 -0.364 5.003 -4.532 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.307 6.582 -5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.252 7.198 -4.415 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.725 8.446 -5.161 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.714 8.068 -1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.208 8.399 -2.412 1.00 0.00 H new ATOM 820 N VAL A 57 0.556 5.946 -7.330 1.00 0.00 N ATOM 821 CA VAL A 57 1.335 6.086 -8.555 1.00 0.00 C ATOM 822 C VAL A 57 0.729 5.267 -9.689 1.00 0.00 C ATOM 823 O VAL A 57 0.313 4.123 -9.507 1.00 0.00 O ATOM 824 CB VAL A 57 2.796 5.648 -8.343 1.00 0.00 C ATOM 825 CG1 VAL A 57 3.723 6.408 -9.278 1.00 0.00 C ATOM 826 CG2 VAL A 57 3.207 5.848 -6.892 1.00 0.00 C ATOM 0 H VAL A 57 0.902 5.232 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 57 1.315 7.142 -8.824 1.00 0.00 H new ATOM 0 HB VAL A 57 2.876 4.586 -8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.751 6.085 -9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.441 6.208 -10.312 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.643 7.477 -9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.242 5.533 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.112 6.901 -6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.562 5.253 -6.246 1.00 0.00 H new ATOM 836 N PRO A 58 0.677 5.865 -10.888 1.00 0.00 N ATOM 837 CA PRO A 58 0.125 5.208 -12.077 1.00 0.00 C ATOM 838 C PRO A 58 1.009 4.069 -12.573 1.00 0.00 C ATOM 839 O PRO A 58 2.203 4.255 -12.808 1.00 0.00 O ATOM 840 CB PRO A 58 0.072 6.335 -13.112 1.00 0.00 C ATOM 841 CG PRO A 58 1.124 7.297 -12.679 1.00 0.00 C ATOM 842 CD PRO A 58 1.155 7.228 -11.177 1.00 0.00 C ATOM 0 HA PRO A 58 -0.843 4.749 -11.877 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.268 5.960 -14.116 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -0.911 6.806 -13.134 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.093 7.032 -13.102 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.893 8.307 -13.019 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.160 7.392 -10.788 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.511 7.984 -10.727 1.00 0.00 H new ATOM 850 N ILE A 59 0.414 2.891 -12.731 1.00 0.00 N ATOM 851 CA ILE A 59 1.148 1.723 -13.202 1.00 0.00 C ATOM 852 C ILE A 59 0.773 1.380 -14.639 1.00 0.00 C ATOM 853 O ILE A 59 -0.239 1.853 -15.157 1.00 0.00 O ATOM 854 CB ILE A 59 0.887 0.496 -12.308 1.00 0.00 C ATOM 855 CG1 ILE A 59 -0.604 0.385 -11.981 1.00 0.00 C ATOM 856 CG2 ILE A 59 1.709 0.586 -11.031 1.00 0.00 C ATOM 857 CD1 ILE A 59 -1.036 -1.013 -11.599 1.00 0.00 C ATOM 0 H ILE A 59 -0.573 2.721 -12.540 1.00 0.00 H new ATOM 0 HA ILE A 59 2.207 1.977 -13.157 1.00 0.00 H new ATOM 0 HB ILE A 59 1.190 -0.400 -12.849 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.840 1.066 -11.163 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.183 0.712 -12.845 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.513 -0.288 -10.410 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.769 0.623 -11.282 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.434 1.488 -10.484 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.104 -1.017 -11.381 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.832 -1.695 -12.424 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.484 -1.336 -10.716 1.00 0.00 H new ATOM 869 N ARG A 60 1.594 0.553 -15.278 1.00 0.00 N ATOM 870 CA ARG A 60 1.348 0.146 -16.656 1.00 0.00 C ATOM 871 C ARG A 60 0.219 -0.878 -16.727 1.00 0.00 C ATOM 872 O ARG A 60 0.311 -1.959 -16.144 1.00 0.00 O ATOM 873 CB ARG A 60 2.620 -0.438 -17.273 1.00 0.00 C ATOM 874 CG ARG A 60 2.424 -0.972 -18.683 1.00 0.00 C ATOM 875 CD ARG A 60 1.574 -0.031 -19.522 1.00 0.00 C ATOM 876 NE ARG A 60 1.557 -0.417 -20.930 1.00 0.00 N ATOM 877 CZ ARG A 60 0.581 -0.090 -21.770 1.00 0.00 C ATOM 878 NH1 ARG A 60 -0.452 0.624 -21.346 1.00 0.00 N ATOM 879 NH2 ARG A 60 0.638 -0.479 -23.038 1.00 0.00 N ATOM 0 H ARG A 60 2.435 0.152 -14.863 1.00 0.00 H new ATOM 0 HA ARG A 60 1.051 1.029 -17.221 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.392 0.331 -17.289 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.986 -1.243 -16.636 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.395 -1.109 -19.159 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.949 -1.952 -18.639 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.555 -0.022 -19.136 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.959 0.985 -19.429 1.00 0.00 H new ATOM 0 HE ARG A 60 2.337 -0.968 -21.288 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.499 0.924 -20.372 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.200 0.873 -21.993 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.431 -1.029 -23.368 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.111 -0.228 -23.683 1.00 0.00 H new ATOM 893 N ILE A 61 -0.845 -0.530 -17.443 1.00 0.00 N ATOM 894 CA ILE A 61 -1.990 -1.420 -17.590 1.00 0.00 C ATOM 895 C ILE A 61 -2.271 -1.716 -19.060 1.00 0.00 C ATOM 896 O ILE A 61 -1.837 -0.995 -19.958 1.00 0.00 O ATOM 897 CB ILE A 61 -3.255 -0.819 -16.949 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.208 0.709 -17.010 1.00 0.00 C ATOM 899 CG2 ILE A 61 -3.395 -1.292 -15.510 1.00 0.00 C ATOM 900 CD1 ILE A 61 -4.257 1.381 -16.153 1.00 0.00 C ATOM 0 H ILE A 61 -0.938 0.361 -17.930 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.737 -2.348 -17.077 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.125 -1.160 -17.510 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.221 1.047 -16.694 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.337 1.027 -18.044 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.293 -0.859 -15.070 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.469 -2.379 -15.490 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.523 -0.977 -14.937 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.164 2.463 -16.246 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.249 1.073 -16.483 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.115 1.092 -15.111 1.00 0.00 H new ATOM 912 N PRO A 62 -3.016 -2.803 -19.312 1.00 0.00 N ATOM 913 CA PRO A 62 -3.374 -3.219 -20.671 1.00 0.00 C ATOM 914 C PRO A 62 -4.367 -2.266 -21.327 1.00 0.00 C ATOM 915 O PRO A 62 -5.524 -2.618 -21.550 1.00 0.00 O ATOM 916 CB PRO A 62 -4.010 -4.596 -20.464 1.00 0.00 C ATOM 917 CG PRO A 62 -4.523 -4.570 -19.066 1.00 0.00 C ATOM 918 CD PRO A 62 -3.566 -3.709 -18.289 1.00 0.00 C ATOM 0 HA PRO A 62 -2.510 -3.229 -21.335 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.815 -4.772 -21.178 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.281 -5.394 -20.603 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.533 -4.162 -19.029 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.570 -5.576 -18.649 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.073 -3.159 -17.496 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.784 -4.303 -17.816 1.00 0.00 H new ATOM 926 N GLY A 63 -3.906 -1.057 -21.633 1.00 0.00 N ATOM 927 CA GLY A 63 -4.767 -0.072 -22.261 1.00 0.00 C ATOM 928 C GLY A 63 -4.026 0.792 -23.262 1.00 0.00 C ATOM 929 O GLY A 63 -2.848 0.566 -23.537 1.00 0.00 O ATOM 0 H GLY A 63 -2.952 -0.742 -21.457 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.590 -0.581 -22.764 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.207 0.564 -21.493 1.00 0.00 H new ATOM 933 N LYS A 64 -4.718 1.786 -23.809 1.00 0.00 N ATOM 934 CA LYS A 64 -4.120 2.688 -24.786 1.00 0.00 C ATOM 935 C LYS A 64 -3.378 3.826 -24.093 1.00 0.00 C ATOM 936 O LYS A 64 -3.888 4.427 -23.146 1.00 0.00 O ATOM 937 CB LYS A 64 -5.197 3.256 -25.713 1.00 0.00 C ATOM 938 CG LYS A 64 -6.298 2.265 -26.046 1.00 0.00 C ATOM 939 CD LYS A 64 -7.290 2.846 -27.040 1.00 0.00 C ATOM 940 CE LYS A 64 -8.131 3.946 -26.410 1.00 0.00 C ATOM 941 NZ LYS A 64 -9.245 4.371 -27.302 1.00 0.00 N ATOM 0 H LYS A 64 -5.694 1.987 -23.592 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.404 2.119 -25.378 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.640 4.135 -25.245 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.728 3.590 -26.639 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.859 1.357 -26.458 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.821 1.980 -25.133 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.753 3.245 -27.901 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.942 2.055 -27.410 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.538 3.594 -25.462 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.498 4.804 -26.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.795 5.122 -26.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.855 4.730 -28.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.864 3.558 -27.496 1.00 0.00 H new ATOM 955 N CYS A 65 -2.173 4.119 -24.570 1.00 0.00 N ATOM 956 CA CYS A 65 -1.362 5.186 -23.997 1.00 0.00 C ATOM 957 C CYS A 65 -1.551 6.488 -24.770 1.00 0.00 C ATOM 958 O CYS A 65 -2.062 6.489 -25.890 1.00 0.00 O ATOM 959 CB CYS A 65 0.116 4.789 -24.000 1.00 0.00 C ATOM 960 SG CYS A 65 1.209 5.985 -23.167 1.00 0.00 S ATOM 0 H CYS A 65 -1.736 3.632 -25.353 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.688 5.344 -22.969 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.221 3.818 -23.516 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.447 4.668 -25.032 1.00 0.00 H new ATOM 965 N HIS A 66 -1.135 7.595 -24.163 1.00 0.00 N ATOM 966 CA HIS A 66 -1.258 8.905 -24.794 1.00 0.00 C ATOM 967 C HIS A 66 -1.070 8.800 -26.305 1.00 0.00 C ATOM 968 O HIS A 66 -0.351 7.927 -26.791 1.00 0.00 O ATOM 969 CB HIS A 66 -0.232 9.875 -24.207 1.00 0.00 C ATOM 970 CG HIS A 66 1.185 9.518 -24.534 1.00 0.00 C ATOM 971 ND1 HIS A 66 2.240 10.388 -24.356 1.00 0.00 N ATOM 972 CD2 HIS A 66 1.720 8.377 -25.028 1.00 0.00 C ATOM 973 CE1 HIS A 66 3.362 9.798 -24.728 1.00 0.00 C ATOM 974 NE2 HIS A 66 3.074 8.577 -25.140 1.00 0.00 N ATOM 0 H HIS A 66 -0.710 7.611 -23.236 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.261 9.284 -24.596 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.440 10.879 -24.577 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.350 9.904 -23.124 1.00 0.00 H new ATOM 0 HD2 HIS A 66 1.182 7.477 -25.286 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.347 10.239 -24.700 1.00 0.00 H new ATOM 0 HE2 HIS A 66 3.748 7.893 -25.485 1.00 0.00 H new TER 982 HIS A 66