USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 485 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 1 MET CE :methyl -157:sc= -0.0599 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot -89:sc= -1.74 USER MOD Set 1.3: A 66 ASN : amide:sc= -0.115 K(o=-1.9,f=-4.3!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -140:sc= 0.0124 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.49) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.114) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 100:sc= -1.8 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0394 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0.145 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -147:sc= -3.17! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.492 11.583 -0.688 1.00 0.00 N ATOM 2 CA MET A 1 12.015 11.464 -0.523 1.00 0.00 C ATOM 3 C MET A 1 11.411 10.688 -1.697 1.00 0.00 C ATOM 4 O MET A 1 11.116 11.246 -2.735 1.00 0.00 O ATOM 5 CB MET A 1 11.501 12.905 -0.511 1.00 0.00 C ATOM 6 CG MET A 1 10.932 13.235 0.870 1.00 0.00 C ATOM 7 SD MET A 1 9.234 13.834 0.694 1.00 0.00 S ATOM 8 CE MET A 1 8.892 14.067 2.455 1.00 0.00 C ATOM 0 H1 MET A 1 13.890 12.111 0.115 1.00 0.00 H new ATOM 0 H2 MET A 1 13.915 10.634 -0.721 1.00 0.00 H new ATOM 0 H3 MET A 1 13.703 12.087 -1.573 1.00 0.00 H new ATOM 0 HA MET A 1 11.743 10.926 0.385 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.311 13.593 -0.756 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.732 13.034 -1.273 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.953 12.349 1.505 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.547 13.991 1.358 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.816 14.037 2.624 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.371 13.273 3.027 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.283 15.032 2.777 1.00 0.00 H new ATOM 20 N LYS A 2 11.229 9.406 -1.541 1.00 0.00 N ATOM 21 CA LYS A 2 10.646 8.596 -2.651 1.00 0.00 C ATOM 22 C LYS A 2 9.595 7.625 -2.107 1.00 0.00 C ATOM 23 O LYS A 2 9.100 7.785 -1.011 1.00 0.00 O ATOM 24 CB LYS A 2 11.831 7.831 -3.244 1.00 0.00 C ATOM 25 CG LYS A 2 12.594 8.741 -4.209 1.00 0.00 C ATOM 26 CD LYS A 2 14.030 8.235 -4.360 1.00 0.00 C ATOM 27 CE LYS A 2 14.996 9.244 -3.735 1.00 0.00 C ATOM 28 NZ LYS A 2 15.528 8.566 -2.521 1.00 0.00 N ATOM 0 H LYS A 2 11.458 8.884 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 2 10.145 9.215 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 2 12.493 7.491 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.479 6.942 -3.767 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.099 8.756 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 2 12.595 9.765 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 2 14.138 7.265 -3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 2 14.268 8.093 -5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 2 15.798 9.503 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.485 10.172 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.199 9.196 -2.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.743 8.338 -1.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.015 7.690 -2.798 1.00 0.00 H new ATOM 42 N CYS A 3 9.252 6.620 -2.864 1.00 0.00 N ATOM 43 CA CYS A 3 8.234 5.637 -2.386 1.00 0.00 C ATOM 44 C CYS A 3 8.345 4.336 -3.185 1.00 0.00 C ATOM 45 O CYS A 3 8.210 4.325 -4.392 1.00 0.00 O ATOM 46 CB CYS A 3 6.883 6.309 -2.634 1.00 0.00 C ATOM 47 SG CYS A 3 5.609 5.484 -1.645 1.00 0.00 S ATOM 0 H CYS A 3 9.631 6.435 -3.793 1.00 0.00 H new ATOM 0 HA CYS A 3 8.369 5.378 -1.336 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.936 7.365 -2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.628 6.257 -3.692 1.00 0.00 H new ATOM 52 N LYS A 4 8.590 3.239 -2.522 1.00 0.00 N ATOM 53 CA LYS A 4 8.712 1.942 -3.249 1.00 0.00 C ATOM 54 C LYS A 4 7.322 1.384 -3.574 1.00 0.00 C ATOM 55 O LYS A 4 6.494 1.211 -2.703 1.00 0.00 O ATOM 56 CB LYS A 4 9.452 1.013 -2.286 1.00 0.00 C ATOM 57 CG LYS A 4 8.632 0.842 -1.004 1.00 0.00 C ATOM 58 CD LYS A 4 8.152 -0.607 -0.894 1.00 0.00 C ATOM 59 CE LYS A 4 7.742 -0.900 0.551 1.00 0.00 C ATOM 60 NZ LYS A 4 7.178 -2.279 0.516 1.00 0.00 N ATOM 0 H LYS A 4 8.711 3.184 -1.511 1.00 0.00 H new ATOM 0 HA LYS A 4 9.240 2.049 -4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.618 0.043 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.433 1.425 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.237 1.103 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.778 1.519 -1.013 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.308 -0.774 -1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.944 -1.288 -1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.597 -0.840 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.005 -0.180 0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.341 -2.328 1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.905 -2.518 -0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.894 -2.955 0.851 1.00 0.00 H new ATOM 74 N ILE A 5 7.063 1.101 -4.823 1.00 0.00 N ATOM 75 CA ILE A 5 5.728 0.554 -5.202 1.00 0.00 C ATOM 76 C ILE A 5 5.845 -0.933 -5.551 1.00 0.00 C ATOM 77 O ILE A 5 6.729 -1.344 -6.278 1.00 0.00 O ATOM 78 CB ILE A 5 5.296 1.358 -6.429 1.00 0.00 C ATOM 79 CG1 ILE A 5 5.437 2.854 -6.136 1.00 0.00 C ATOM 80 CG2 ILE A 5 3.836 1.042 -6.758 1.00 0.00 C ATOM 81 CD1 ILE A 5 5.454 3.632 -7.453 1.00 0.00 C ATOM 0 H ILE A 5 7.717 1.225 -5.596 1.00 0.00 H new ATOM 0 HA ILE A 5 5.006 0.636 -4.389 1.00 0.00 H new ATOM 0 HB ILE A 5 5.927 1.091 -7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.610 3.193 -5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.355 3.041 -5.579 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.528 1.615 -7.633 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.732 -0.023 -6.967 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.206 1.308 -5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.554 4.697 -7.245 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.296 3.300 -8.061 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.524 3.454 -7.993 1.00 0.00 H new ATOM 93 N CYS A 6 4.958 -1.740 -5.038 1.00 0.00 N ATOM 94 CA CYS A 6 5.012 -3.200 -5.336 1.00 0.00 C ATOM 95 C CYS A 6 3.756 -3.889 -4.794 1.00 0.00 C ATOM 96 O CYS A 6 3.378 -3.700 -3.655 1.00 0.00 O ATOM 97 CB CYS A 6 6.260 -3.704 -4.612 1.00 0.00 C ATOM 98 SG CYS A 6 6.011 -3.581 -2.823 1.00 0.00 S ATOM 0 H CYS A 6 4.196 -1.451 -4.424 1.00 0.00 H new ATOM 0 HA CYS A 6 5.053 -3.408 -6.405 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.463 -4.738 -4.891 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.129 -3.117 -4.910 1.00 0.00 H new ATOM 103 N ASN A 7 3.102 -4.680 -5.600 1.00 0.00 N ATOM 104 CA ASN A 7 1.866 -5.368 -5.125 1.00 0.00 C ATOM 105 C ASN A 7 1.767 -6.773 -5.735 1.00 0.00 C ATOM 106 O ASN A 7 2.763 -7.396 -6.046 1.00 0.00 O ATOM 107 CB ASN A 7 0.719 -4.481 -5.611 1.00 0.00 C ATOM 108 CG ASN A 7 0.824 -4.295 -7.126 1.00 0.00 C ATOM 109 OD1 ASN A 7 0.250 -5.051 -7.884 1.00 0.00 O ATOM 110 ND2 ASN A 7 1.540 -3.313 -7.601 1.00 0.00 N ATOM 0 H ASN A 7 3.368 -4.880 -6.564 1.00 0.00 H new ATOM 0 HA ASN A 7 1.852 -5.500 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -0.239 -4.934 -5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.757 -3.513 -5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.618 -3.180 -8.609 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.022 -2.678 -6.964 1.00 0.00 H new ATOM 117 N PHE A 8 0.571 -7.275 -5.902 1.00 0.00 N ATOM 118 CA PHE A 8 0.396 -8.641 -6.485 1.00 0.00 C ATOM 119 C PHE A 8 0.839 -9.708 -5.479 1.00 0.00 C ATOM 120 O PHE A 8 1.719 -10.501 -5.745 1.00 0.00 O ATOM 121 CB PHE A 8 1.290 -8.669 -7.727 1.00 0.00 C ATOM 122 CG PHE A 8 0.525 -9.259 -8.888 1.00 0.00 C ATOM 123 CD1 PHE A 8 0.048 -10.573 -8.817 1.00 0.00 C ATOM 124 CD2 PHE A 8 0.296 -8.493 -10.037 1.00 0.00 C ATOM 125 CE1 PHE A 8 -0.659 -11.121 -9.895 1.00 0.00 C ATOM 126 CE2 PHE A 8 -0.411 -9.039 -11.114 1.00 0.00 C ATOM 127 CZ PHE A 8 -0.888 -10.354 -11.044 1.00 0.00 C ATOM 0 H PHE A 8 -0.296 -6.796 -5.659 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.645 -8.850 -6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.621 -7.660 -7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.185 -9.259 -7.530 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.225 -11.164 -7.931 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.665 -7.480 -10.092 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -1.027 -12.135 -9.840 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.589 -8.446 -11.999 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.432 -10.776 -11.876 1.00 0.00 H new ATOM 137 N ASP A 9 0.228 -9.734 -4.323 1.00 0.00 N ATOM 138 CA ASP A 9 0.593 -10.748 -3.283 1.00 0.00 C ATOM 139 C ASP A 9 1.964 -10.448 -2.654 1.00 0.00 C ATOM 140 O ASP A 9 2.139 -10.564 -1.457 1.00 0.00 O ATOM 141 CB ASP A 9 0.630 -12.086 -4.025 1.00 0.00 C ATOM 142 CG ASP A 9 0.000 -13.173 -3.151 1.00 0.00 C ATOM 143 OD1 ASP A 9 -0.484 -12.839 -2.082 1.00 0.00 O ATOM 144 OD2 ASP A 9 0.014 -14.320 -3.565 1.00 0.00 O ATOM 0 H ASP A 9 -0.515 -9.091 -4.051 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.124 -10.746 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.091 -12.005 -4.969 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.659 -12.351 -4.268 1.00 0.00 H new ATOM 149 N THR A 10 2.939 -10.068 -3.439 1.00 0.00 N ATOM 150 CA THR A 10 4.280 -9.773 -2.873 1.00 0.00 C ATOM 151 C THR A 10 4.786 -8.424 -3.400 1.00 0.00 C ATOM 152 O THR A 10 4.057 -7.453 -3.436 1.00 0.00 O ATOM 153 CB THR A 10 5.159 -10.920 -3.370 1.00 0.00 C ATOM 154 OG1 THR A 10 5.112 -10.969 -4.789 1.00 0.00 O ATOM 155 CG2 THR A 10 4.649 -12.242 -2.795 1.00 0.00 C ATOM 0 H THR A 10 2.860 -9.950 -4.449 1.00 0.00 H new ATOM 0 HA THR A 10 4.278 -9.701 -1.785 1.00 0.00 H new ATOM 0 HB THR A 10 6.187 -10.758 -3.045 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.677 -11.703 -5.110 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.277 -13.059 -3.150 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.685 -12.203 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.621 -12.407 -3.118 1.00 0.00 H new ATOM 163 N CYS A 11 6.024 -8.352 -3.813 1.00 0.00 N ATOM 164 CA CYS A 11 6.559 -7.063 -4.338 1.00 0.00 C ATOM 165 C CYS A 11 7.635 -7.331 -5.393 1.00 0.00 C ATOM 166 O CYS A 11 8.738 -6.828 -5.312 1.00 0.00 O ATOM 167 CB CYS A 11 7.166 -6.361 -3.122 1.00 0.00 C ATOM 168 SG CYS A 11 5.860 -5.500 -2.210 1.00 0.00 S ATOM 0 H CYS A 11 6.686 -9.128 -3.809 1.00 0.00 H new ATOM 0 HA CYS A 11 5.787 -6.458 -4.815 1.00 0.00 H new ATOM 0 HB2 CYS A 11 7.657 -7.089 -2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.930 -5.652 -3.441 1.00 0.00 H new ATOM 173 N ARG A 12 7.323 -8.120 -6.385 1.00 0.00 N ATOM 174 CA ARG A 12 8.329 -8.422 -7.443 1.00 0.00 C ATOM 175 C ARG A 12 8.590 -7.179 -8.296 1.00 0.00 C ATOM 176 O ARG A 12 9.654 -7.007 -8.856 1.00 0.00 O ATOM 177 CB ARG A 12 7.702 -9.535 -8.281 1.00 0.00 C ATOM 178 CG ARG A 12 6.621 -8.942 -9.179 1.00 0.00 C ATOM 179 CD ARG A 12 5.822 -10.069 -9.838 1.00 0.00 C ATOM 180 NE ARG A 12 5.992 -9.857 -11.302 1.00 0.00 N ATOM 181 CZ ARG A 12 5.587 -10.767 -12.146 1.00 0.00 C ATOM 182 NH1 ARG A 12 4.522 -11.474 -11.882 1.00 0.00 N ATOM 183 NH2 ARG A 12 6.246 -10.968 -13.254 1.00 0.00 N ATOM 0 H ARG A 12 6.415 -8.568 -6.509 1.00 0.00 H new ATOM 0 HA ARG A 12 9.290 -8.723 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.465 -10.024 -8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.273 -10.298 -7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.957 -8.306 -8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.075 -8.311 -9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.196 -11.047 -9.535 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.771 -10.027 -9.553 1.00 0.00 H new ATOM 0 HE ARG A 12 6.425 -9.000 -11.646 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.006 -11.315 -11.016 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.205 -12.185 -12.541 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.077 -10.414 -13.461 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.930 -11.679 -13.914 1.00 0.00 H new ATOM 197 N ALA A 13 7.624 -6.315 -8.393 1.00 0.00 N ATOM 198 CA ALA A 13 7.805 -5.078 -9.206 1.00 0.00 C ATOM 199 C ALA A 13 8.912 -4.210 -8.604 1.00 0.00 C ATOM 200 O ALA A 13 9.844 -3.819 -9.280 1.00 0.00 O ATOM 201 CB ALA A 13 6.459 -4.357 -9.135 1.00 0.00 C ATOM 0 H ALA A 13 6.713 -6.409 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 13 8.095 -5.297 -10.234 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.510 -3.433 -9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.680 -4.999 -9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.225 -4.125 -8.096 1.00 0.00 H new ATOM 207 N GLY A 14 8.820 -3.907 -7.338 1.00 0.00 N ATOM 208 CA GLY A 14 9.870 -3.066 -6.696 1.00 0.00 C ATOM 209 C GLY A 14 10.033 -1.764 -7.482 1.00 0.00 C ATOM 210 O GLY A 14 11.131 -1.283 -7.683 1.00 0.00 O ATOM 0 H GLY A 14 8.064 -4.205 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.595 -2.848 -5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.816 -3.606 -6.667 1.00 0.00 H new ATOM 214 N GLU A 15 8.951 -1.188 -7.929 1.00 0.00 N ATOM 215 CA GLU A 15 9.047 0.083 -8.702 1.00 0.00 C ATOM 216 C GLU A 15 8.974 1.284 -7.756 1.00 0.00 C ATOM 217 O GLU A 15 7.906 1.753 -7.414 1.00 0.00 O ATOM 218 CB GLU A 15 7.841 0.068 -9.642 1.00 0.00 C ATOM 219 CG GLU A 15 8.312 0.294 -11.080 1.00 0.00 C ATOM 220 CD GLU A 15 7.715 -0.782 -11.988 1.00 0.00 C ATOM 221 OE1 GLU A 15 6.699 -1.346 -11.615 1.00 0.00 O ATOM 222 OE2 GLU A 15 8.282 -1.022 -13.040 1.00 0.00 O ATOM 0 H GLU A 15 8.004 -1.542 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 15 9.988 0.164 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.318 -0.885 -9.565 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.132 0.844 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.008 1.283 -11.422 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.401 0.261 -11.127 1.00 0.00 H new ATOM 229 N LEU A 16 10.100 1.786 -7.329 1.00 0.00 N ATOM 230 CA LEU A 16 10.088 2.957 -6.405 1.00 0.00 C ATOM 231 C LEU A 16 10.179 4.262 -7.199 1.00 0.00 C ATOM 232 O LEU A 16 10.981 4.396 -8.101 1.00 0.00 O ATOM 233 CB LEU A 16 11.324 2.781 -5.522 1.00 0.00 C ATOM 234 CG LEU A 16 11.628 4.095 -4.802 1.00 0.00 C ATOM 235 CD1 LEU A 16 11.827 3.830 -3.309 1.00 0.00 C ATOM 236 CD2 LEU A 16 12.905 4.711 -5.381 1.00 0.00 C ATOM 0 H LEU A 16 11.026 1.438 -7.579 1.00 0.00 H new ATOM 0 HA LEU A 16 9.171 3.007 -5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 16 11.155 1.987 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.178 2.481 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 16 10.794 4.783 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.044 4.768 -2.799 1.00 0.00 H new ATOM 0 HD12 LEU A 16 10.920 3.392 -2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 16 12.660 3.141 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.122 5.648 -4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 16 13.737 4.020 -5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 16 12.766 4.904 -6.445 1.00 0.00 H new ATOM 248 N LYS A 17 9.367 5.225 -6.863 1.00 0.00 N ATOM 249 CA LYS A 17 9.407 6.526 -7.589 1.00 0.00 C ATOM 250 C LYS A 17 9.206 7.673 -6.596 1.00 0.00 C ATOM 251 O LYS A 17 9.546 7.564 -5.434 1.00 0.00 O ATOM 252 CB LYS A 17 8.249 6.463 -8.586 1.00 0.00 C ATOM 253 CG LYS A 17 8.470 5.296 -9.552 1.00 0.00 C ATOM 254 CD LYS A 17 8.205 5.761 -10.986 1.00 0.00 C ATOM 255 CE LYS A 17 7.031 4.971 -11.569 1.00 0.00 C ATOM 256 NZ LYS A 17 7.658 3.880 -12.365 1.00 0.00 N ATOM 0 H LYS A 17 8.676 5.168 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 17 10.359 6.697 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.305 6.336 -8.056 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.180 7.399 -9.140 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.491 4.924 -9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.806 4.470 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.981 6.828 -10.998 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.095 5.615 -11.598 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.395 4.569 -10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.401 5.604 -12.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.925 3.208 -12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.126 4.285 -13.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.361 3.384 -11.781 1.00 0.00 H new ATOM 270 N VAL A 18 8.661 8.771 -7.039 1.00 0.00 N ATOM 271 CA VAL A 18 8.448 9.915 -6.113 1.00 0.00 C ATOM 272 C VAL A 18 7.006 10.421 -6.213 1.00 0.00 C ATOM 273 O VAL A 18 6.536 10.783 -7.272 1.00 0.00 O ATOM 274 CB VAL A 18 9.426 10.982 -6.589 1.00 0.00 C ATOM 275 CG1 VAL A 18 10.850 10.570 -6.217 1.00 0.00 C ATOM 276 CG2 VAL A 18 9.315 11.127 -8.108 1.00 0.00 C ATOM 0 H VAL A 18 8.355 8.925 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 18 8.611 9.643 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 18 9.190 11.934 -6.114 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.550 11.333 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.927 10.464 -5.135 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.090 9.619 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.013 11.890 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.554 10.175 -8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.299 11.419 -8.372 1.00 0.00 H new ATOM 286 N CYS A 19 6.306 10.451 -5.114 1.00 0.00 N ATOM 287 CA CYS A 19 4.896 10.937 -5.140 1.00 0.00 C ATOM 288 C CYS A 19 4.526 11.554 -3.788 1.00 0.00 C ATOM 289 O CYS A 19 3.816 12.537 -3.717 1.00 0.00 O ATOM 290 CB CYS A 19 4.051 9.691 -5.410 1.00 0.00 C ATOM 291 SG CYS A 19 4.393 8.438 -4.151 1.00 0.00 S ATOM 0 H CYS A 19 6.648 10.160 -4.198 1.00 0.00 H new ATOM 0 HA CYS A 19 4.738 11.707 -5.895 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.992 9.949 -5.402 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.275 9.296 -6.401 1.00 0.00 H new ATOM 296 N ALA A 20 5.002 10.984 -2.714 1.00 0.00 N ATOM 297 CA ALA A 20 4.679 11.539 -1.369 1.00 0.00 C ATOM 298 C ALA A 20 5.464 12.830 -1.126 1.00 0.00 C ATOM 299 O ALA A 20 6.422 12.855 -0.377 1.00 0.00 O ATOM 300 CB ALA A 20 5.109 10.455 -0.380 1.00 0.00 C ATOM 0 H ALA A 20 5.601 10.158 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 20 3.623 11.787 -1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.903 10.788 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.554 9.539 -0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.176 10.264 -0.491 1.00 0.00 H new ATOM 306 N SER A 21 5.067 13.903 -1.753 1.00 0.00 N ATOM 307 CA SER A 21 5.791 15.192 -1.558 1.00 0.00 C ATOM 308 C SER A 21 5.258 15.915 -0.318 1.00 0.00 C ATOM 309 O SER A 21 6.013 16.394 0.505 1.00 0.00 O ATOM 310 CB SER A 21 5.500 16.003 -2.820 1.00 0.00 C ATOM 311 OG SER A 21 6.599 15.893 -3.714 1.00 0.00 O ATOM 0 H SER A 21 4.273 13.943 -2.392 1.00 0.00 H new ATOM 0 HA SER A 21 6.860 15.047 -1.405 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.590 15.639 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.329 17.048 -2.563 1.00 0.00 H new ATOM 0 HG SER A 21 6.414 16.411 -4.525 1.00 0.00 H new ATOM 317 N GLY A 22 3.964 15.996 -0.178 1.00 0.00 N ATOM 318 CA GLY A 22 3.384 16.687 1.009 1.00 0.00 C ATOM 319 C GLY A 22 1.920 16.276 1.174 1.00 0.00 C ATOM 320 O GLY A 22 1.540 15.684 2.164 1.00 0.00 O ATOM 0 H GLY A 22 3.283 15.614 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.948 16.429 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.458 17.768 0.886 1.00 0.00 H new ATOM 324 N GLU A 23 1.097 16.585 0.210 1.00 0.00 N ATOM 325 CA GLU A 23 -0.342 16.210 0.311 1.00 0.00 C ATOM 326 C GLU A 23 -0.526 14.727 -0.023 1.00 0.00 C ATOM 327 O GLU A 23 -1.511 14.117 0.341 1.00 0.00 O ATOM 328 CB GLU A 23 -1.053 17.087 -0.720 1.00 0.00 C ATOM 329 CG GLU A 23 -0.588 16.702 -2.125 1.00 0.00 C ATOM 330 CD GLU A 23 -1.370 17.514 -3.161 1.00 0.00 C ATOM 331 OE1 GLU A 23 -1.058 18.681 -3.329 1.00 0.00 O ATOM 332 OE2 GLU A 23 -2.267 16.953 -3.768 1.00 0.00 O ATOM 0 H GLU A 23 1.358 17.080 -0.642 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.740 16.360 1.315 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.133 16.963 -0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.837 18.138 -0.529 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.480 16.890 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.742 15.636 -2.291 1.00 0.00 H new ATOM 339 N LYS A 24 0.418 14.143 -0.709 1.00 0.00 N ATOM 340 CA LYS A 24 0.298 12.698 -1.064 1.00 0.00 C ATOM 341 C LYS A 24 0.902 11.833 0.047 1.00 0.00 C ATOM 342 O LYS A 24 1.772 12.263 0.777 1.00 0.00 O ATOM 343 CB LYS A 24 1.093 12.541 -2.359 1.00 0.00 C ATOM 344 CG LYS A 24 0.254 13.040 -3.536 1.00 0.00 C ATOM 345 CD LYS A 24 1.172 13.361 -4.718 1.00 0.00 C ATOM 346 CE LYS A 24 0.365 13.318 -6.018 1.00 0.00 C ATOM 347 NZ LYS A 24 0.908 12.152 -6.769 1.00 0.00 N ATOM 0 H LYS A 24 1.267 14.602 -1.039 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.739 12.385 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.024 13.105 -2.297 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.363 11.495 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.475 12.283 -3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.307 13.928 -3.246 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.619 14.346 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.991 12.643 -4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.700 13.198 -5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.480 14.242 -6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.404 12.057 -7.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.922 12.298 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.778 11.286 -6.207 1.00 0.00 H new ATOM 361 N TYR A 25 0.442 10.620 0.184 1.00 0.00 N ATOM 362 CA TYR A 25 0.986 9.733 1.252 1.00 0.00 C ATOM 363 C TYR A 25 1.159 8.307 0.726 1.00 0.00 C ATOM 364 O TYR A 25 0.254 7.737 0.148 1.00 0.00 O ATOM 365 CB TYR A 25 -0.067 9.762 2.360 1.00 0.00 C ATOM 366 CG TYR A 25 0.560 10.249 3.642 1.00 0.00 C ATOM 367 CD1 TYR A 25 0.839 11.610 3.810 1.00 0.00 C ATOM 368 CD2 TYR A 25 0.863 9.341 4.663 1.00 0.00 C ATOM 369 CE1 TYR A 25 1.420 12.065 4.999 1.00 0.00 C ATOM 370 CE2 TYR A 25 1.444 9.795 5.853 1.00 0.00 C ATOM 371 CZ TYR A 25 1.723 11.157 6.021 1.00 0.00 C ATOM 372 OH TYR A 25 2.296 11.603 7.193 1.00 0.00 O ATOM 0 H TYR A 25 -0.286 10.204 -0.397 1.00 0.00 H new ATOM 0 HA TYR A 25 1.964 10.064 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.891 10.416 2.075 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.486 8.766 2.504 1.00 0.00 H new ATOM 0 HD1 TYR A 25 0.606 12.310 3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.649 8.291 4.533 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.635 13.116 5.128 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.677 9.095 6.642 1.00 0.00 H new ATOM 0 HH TYR A 25 2.440 10.844 7.796 1.00 0.00 H new ATOM 382 N CYS A 26 2.304 7.717 0.934 1.00 0.00 N ATOM 383 CA CYS A 26 2.510 6.320 0.455 1.00 0.00 C ATOM 384 C CYS A 26 1.520 5.398 1.168 1.00 0.00 C ATOM 385 O CYS A 26 1.664 5.109 2.340 1.00 0.00 O ATOM 386 CB CYS A 26 3.950 5.973 0.838 1.00 0.00 C ATOM 387 SG CYS A 26 5.094 6.854 -0.252 1.00 0.00 S ATOM 0 H CYS A 26 3.101 8.138 1.411 1.00 0.00 H new ATOM 0 HA CYS A 26 2.349 6.209 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 26 4.137 6.246 1.876 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.110 4.898 0.758 1.00 0.00 H new ATOM 392 N PHE A 27 0.504 4.952 0.483 1.00 0.00 N ATOM 393 CA PHE A 27 -0.500 4.074 1.148 1.00 0.00 C ATOM 394 C PHE A 27 -0.390 2.627 0.658 1.00 0.00 C ATOM 395 O PHE A 27 -0.018 2.360 -0.467 1.00 0.00 O ATOM 396 CB PHE A 27 -1.859 4.672 0.770 1.00 0.00 C ATOM 397 CG PHE A 27 -2.218 4.280 -0.644 1.00 0.00 C ATOM 398 CD1 PHE A 27 -2.917 3.090 -0.885 1.00 0.00 C ATOM 399 CD2 PHE A 27 -1.852 5.105 -1.714 1.00 0.00 C ATOM 400 CE1 PHE A 27 -3.250 2.725 -2.194 1.00 0.00 C ATOM 401 CE2 PHE A 27 -2.185 4.740 -3.025 1.00 0.00 C ATOM 402 CZ PHE A 27 -2.883 3.551 -3.265 1.00 0.00 C ATOM 0 H PHE A 27 0.326 5.155 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.349 4.037 2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.626 4.320 1.460 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.825 5.758 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.199 2.454 -0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.313 6.023 -1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.789 1.808 -2.379 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.903 5.376 -3.851 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.139 3.270 -4.276 1.00 0.00 H new ATOM 412 N LYS A 28 -0.732 1.697 1.506 1.00 0.00 N ATOM 413 CA LYS A 28 -0.678 0.259 1.123 1.00 0.00 C ATOM 414 C LYS A 28 -1.990 -0.412 1.535 1.00 0.00 C ATOM 415 O LYS A 28 -2.361 -0.404 2.692 1.00 0.00 O ATOM 416 CB LYS A 28 0.500 -0.316 1.913 1.00 0.00 C ATOM 417 CG LYS A 28 0.453 -1.846 1.875 1.00 0.00 C ATOM 418 CD LYS A 28 1.364 -2.410 2.968 1.00 0.00 C ATOM 419 CE LYS A 28 2.316 -3.442 2.358 1.00 0.00 C ATOM 420 NZ LYS A 28 3.053 -4.016 3.518 1.00 0.00 N ATOM 0 H LYS A 28 -1.050 1.875 2.459 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.551 0.103 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.440 0.039 1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.462 0.033 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.570 -2.193 2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.773 -2.206 0.897 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.933 -1.605 3.433 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.765 -2.872 3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.768 -4.214 1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.999 -2.978 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.727 -4.733 3.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.570 -3.259 4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.378 -4.457 4.175 1.00 0.00 H new ATOM 434 N GLU A 29 -2.707 -0.974 0.600 1.00 0.00 N ATOM 435 CA GLU A 29 -4.003 -1.620 0.955 1.00 0.00 C ATOM 436 C GLU A 29 -3.978 -3.117 0.637 1.00 0.00 C ATOM 437 O GLU A 29 -3.533 -3.536 -0.413 1.00 0.00 O ATOM 438 CB GLU A 29 -5.045 -0.910 0.089 1.00 0.00 C ATOM 439 CG GLU A 29 -6.350 -1.709 0.104 1.00 0.00 C ATOM 440 CD GLU A 29 -7.524 -0.762 0.358 1.00 0.00 C ATOM 441 OE1 GLU A 29 -7.567 0.279 -0.277 1.00 0.00 O ATOM 442 OE2 GLU A 29 -8.360 -1.093 1.183 1.00 0.00 O ATOM 0 H GLU A 29 -2.454 -1.014 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.218 -1.535 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.219 0.099 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.678 -0.811 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.484 -2.225 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.312 -2.474 0.879 1.00 0.00 H new ATOM 449 N SER A 30 -4.469 -3.921 1.538 1.00 0.00 N ATOM 450 CA SER A 30 -4.498 -5.392 1.302 1.00 0.00 C ATOM 451 C SER A 30 -5.858 -5.948 1.730 1.00 0.00 C ATOM 452 O SER A 30 -6.463 -5.473 2.669 1.00 0.00 O ATOM 453 CB SER A 30 -3.380 -5.959 2.176 1.00 0.00 C ATOM 454 OG SER A 30 -2.144 -5.850 1.483 1.00 0.00 O ATOM 0 H SER A 30 -4.854 -3.621 2.434 1.00 0.00 H new ATOM 0 HA SER A 30 -4.355 -5.654 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.330 -5.417 3.120 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.584 -7.002 2.418 1.00 0.00 H new ATOM 0 HG SER A 30 -1.652 -5.069 1.812 1.00 0.00 H new ATOM 460 N TRP A 31 -6.351 -6.939 1.043 1.00 0.00 N ATOM 461 CA TRP A 31 -7.680 -7.505 1.410 1.00 0.00 C ATOM 462 C TRP A 31 -7.598 -9.033 1.522 1.00 0.00 C ATOM 463 O TRP A 31 -6.834 -9.679 0.833 1.00 0.00 O ATOM 464 CB TRP A 31 -8.606 -7.072 0.266 1.00 0.00 C ATOM 465 CG TRP A 31 -9.770 -8.005 0.151 1.00 0.00 C ATOM 466 CD1 TRP A 31 -10.615 -8.328 1.156 1.00 0.00 C ATOM 467 CD2 TRP A 31 -10.226 -8.735 -1.021 1.00 0.00 C ATOM 468 NE1 TRP A 31 -11.563 -9.213 0.673 1.00 0.00 N ATOM 469 CE2 TRP A 31 -11.365 -9.494 -0.665 1.00 0.00 C ATOM 470 CE3 TRP A 31 -9.764 -8.811 -2.347 1.00 0.00 C ATOM 471 CZ2 TRP A 31 -12.024 -10.301 -1.594 1.00 0.00 C ATOM 472 CZ3 TRP A 31 -10.425 -9.620 -3.285 1.00 0.00 C ATOM 473 CH2 TRP A 31 -11.552 -10.364 -2.909 1.00 0.00 C ATOM 0 H TRP A 31 -5.894 -7.381 0.246 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.039 -7.154 2.377 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -8.962 -6.057 0.443 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.051 -7.056 -0.672 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -10.559 -7.957 2.169 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -12.316 -9.609 1.236 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.895 -8.243 -2.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -12.892 -10.872 -1.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -10.063 -9.669 -4.301 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -12.056 -10.986 -3.635 1.00 0.00 H new ATOM 484 N ARG A 32 -8.384 -9.608 2.392 1.00 0.00 N ATOM 485 CA ARG A 32 -8.360 -11.090 2.565 1.00 0.00 C ATOM 486 C ARG A 32 -9.222 -11.766 1.494 1.00 0.00 C ATOM 487 O ARG A 32 -10.222 -11.229 1.058 1.00 0.00 O ATOM 488 CB ARG A 32 -8.949 -11.328 3.956 1.00 0.00 C ATOM 489 CG ARG A 32 -8.363 -12.612 4.548 1.00 0.00 C ATOM 490 CD ARG A 32 -8.926 -12.826 5.955 1.00 0.00 C ATOM 491 NE ARG A 32 -8.562 -14.226 6.306 1.00 0.00 N ATOM 492 CZ ARG A 32 -7.838 -14.466 7.365 1.00 0.00 C ATOM 493 NH1 ARG A 32 -8.359 -14.341 8.554 1.00 0.00 N ATOM 494 NH2 ARG A 32 -6.592 -14.831 7.233 1.00 0.00 N ATOM 0 H ARG A 32 -9.044 -9.114 2.993 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.356 -11.503 2.466 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.727 -10.481 4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.034 -11.406 3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.608 -13.463 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.276 -12.545 4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.498 -12.117 6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.006 -12.682 5.974 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.878 -14.998 5.719 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.333 -14.056 8.657 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.793 -14.529 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.185 -14.928 6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.025 -15.019 8.060 1.00 0.00 H new ATOM 508 N GLU A 33 -8.843 -12.940 1.070 1.00 0.00 N ATOM 509 CA GLU A 33 -9.641 -13.652 0.030 1.00 0.00 C ATOM 510 C GLU A 33 -9.844 -15.117 0.428 1.00 0.00 C ATOM 511 O GLU A 33 -9.558 -15.512 1.541 1.00 0.00 O ATOM 512 CB GLU A 33 -8.804 -13.556 -1.246 1.00 0.00 C ATOM 513 CG GLU A 33 -9.637 -12.910 -2.355 1.00 0.00 C ATOM 514 CD GLU A 33 -8.934 -13.105 -3.700 1.00 0.00 C ATOM 515 OE1 GLU A 33 -8.789 -14.245 -4.111 1.00 0.00 O ATOM 516 OE2 GLU A 33 -8.553 -12.111 -4.296 1.00 0.00 O ATOM 0 H GLU A 33 -8.015 -13.438 1.398 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.632 -13.217 -0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.906 -12.967 -1.061 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.476 -14.549 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.631 -13.356 -2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.770 -11.847 -2.153 1.00 0.00 H new ATOM 523 N ALA A 34 -10.333 -15.924 -0.472 1.00 0.00 N ATOM 524 CA ALA A 34 -10.553 -17.362 -0.144 1.00 0.00 C ATOM 525 C ALA A 34 -9.355 -18.198 -0.601 1.00 0.00 C ATOM 526 O ALA A 34 -9.271 -19.379 -0.330 1.00 0.00 O ATOM 527 CB ALA A 34 -11.810 -17.760 -0.919 1.00 0.00 C ATOM 0 H ALA A 34 -10.590 -15.651 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.666 -17.527 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.038 -18.809 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.648 -17.142 -0.596 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.641 -17.613 -1.986 1.00 0.00 H new ATOM 533 N ARG A 35 -8.428 -17.595 -1.294 1.00 0.00 N ATOM 534 CA ARG A 35 -7.238 -18.357 -1.768 1.00 0.00 C ATOM 535 C ARG A 35 -5.961 -17.783 -1.149 1.00 0.00 C ATOM 536 O ARG A 35 -4.897 -18.361 -1.248 1.00 0.00 O ATOM 537 CB ARG A 35 -7.232 -18.166 -3.284 1.00 0.00 C ATOM 538 CG ARG A 35 -8.366 -18.983 -3.907 1.00 0.00 C ATOM 539 CD ARG A 35 -8.200 -19.012 -5.429 1.00 0.00 C ATOM 540 NE ARG A 35 -7.360 -20.211 -5.702 1.00 0.00 N ATOM 541 CZ ARG A 35 -7.858 -21.221 -6.361 1.00 0.00 C ATOM 542 NH1 ARG A 35 -7.917 -21.184 -7.664 1.00 0.00 N ATOM 543 NH2 ARG A 35 -8.301 -22.268 -5.718 1.00 0.00 N ATOM 0 H ARG A 35 -8.443 -16.608 -1.552 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.279 -19.409 -1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.353 -17.111 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.274 -18.481 -3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.357 -19.998 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.330 -18.547 -3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -9.165 -19.084 -5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.720 -18.103 -5.791 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.395 -20.243 -5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.574 -20.366 -8.167 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.306 -21.973 -8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.258 -22.297 -4.699 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.690 -23.057 -6.235 1.00 0.00 H new ATOM 557 N GLY A 36 -6.059 -16.649 -0.512 1.00 0.00 N ATOM 558 CA GLY A 36 -4.854 -16.036 0.112 1.00 0.00 C ATOM 559 C GLY A 36 -5.146 -14.576 0.461 1.00 0.00 C ATOM 560 O GLY A 36 -6.169 -14.257 1.033 1.00 0.00 O ATOM 0 H GLY A 36 -6.923 -16.120 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.577 -16.587 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.007 -16.095 -0.572 1.00 0.00 H new ATOM 564 N THR A 37 -4.257 -13.684 0.119 1.00 0.00 N ATOM 565 CA THR A 37 -4.488 -12.243 0.431 1.00 0.00 C ATOM 566 C THR A 37 -3.954 -11.364 -0.704 1.00 0.00 C ATOM 567 O THR A 37 -2.899 -11.613 -1.251 1.00 0.00 O ATOM 568 CB THR A 37 -3.707 -11.987 1.721 1.00 0.00 C ATOM 569 OG1 THR A 37 -2.518 -12.764 1.715 1.00 0.00 O ATOM 570 CG2 THR A 37 -4.567 -12.372 2.926 1.00 0.00 C ATOM 0 H THR A 37 -3.381 -13.889 -0.362 1.00 0.00 H new ATOM 0 HA THR A 37 -5.547 -12.009 0.542 1.00 0.00 H new ATOM 0 HB THR A 37 -3.449 -10.930 1.786 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.016 -12.600 2.540 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.009 -12.189 3.844 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.478 -11.773 2.929 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.828 -13.429 2.864 1.00 0.00 H new ATOM 578 N ARG A 38 -4.678 -10.339 -1.062 1.00 0.00 N ATOM 579 CA ARG A 38 -4.213 -9.444 -2.160 1.00 0.00 C ATOM 580 C ARG A 38 -3.640 -8.148 -1.578 1.00 0.00 C ATOM 581 O ARG A 38 -4.067 -7.682 -0.541 1.00 0.00 O ATOM 582 CB ARG A 38 -5.463 -9.154 -2.989 1.00 0.00 C ATOM 583 CG ARG A 38 -5.881 -10.418 -3.741 1.00 0.00 C ATOM 584 CD ARG A 38 -5.273 -10.402 -5.145 1.00 0.00 C ATOM 585 NE ARG A 38 -6.124 -9.456 -5.921 1.00 0.00 N ATOM 586 CZ ARG A 38 -6.295 -9.632 -7.202 1.00 0.00 C ATOM 587 NH1 ARG A 38 -6.505 -10.831 -7.673 1.00 0.00 N ATOM 588 NH2 ARG A 38 -6.257 -8.610 -8.011 1.00 0.00 N ATOM 0 H ARG A 38 -5.571 -10.082 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.424 -9.899 -2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.273 -8.819 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.265 -8.347 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.548 -11.303 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.968 -10.473 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.235 -10.071 -5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.281 -11.397 -5.590 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.573 -8.670 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.535 -11.630 -7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.639 -10.969 -8.675 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.094 -7.673 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.391 -8.747 -9.013 1.00 0.00 H new ATOM 602 N ILE A 39 -2.677 -7.564 -2.237 1.00 0.00 N ATOM 603 CA ILE A 39 -2.080 -6.300 -1.716 1.00 0.00 C ATOM 604 C ILE A 39 -1.906 -5.287 -2.850 1.00 0.00 C ATOM 605 O ILE A 39 -1.773 -5.647 -4.003 1.00 0.00 O ATOM 606 CB ILE A 39 -0.721 -6.708 -1.148 1.00 0.00 C ATOM 607 CG1 ILE A 39 -0.090 -5.510 -0.434 1.00 0.00 C ATOM 608 CG2 ILE A 39 0.194 -7.162 -2.287 1.00 0.00 C ATOM 609 CD1 ILE A 39 0.751 -6.004 0.743 1.00 0.00 C ATOM 0 H ILE A 39 -2.278 -7.906 -3.111 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.711 -5.826 -0.964 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.853 -7.527 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.533 -4.946 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.867 -4.833 -0.080 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.163 -7.453 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.256 -8.013 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.328 -6.344 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.201 -5.151 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.115 -6.549 1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.537 -6.664 0.377 1.00 0.00 H new ATOM 621 N GLU A 40 -1.903 -4.021 -2.531 1.00 0.00 N ATOM 622 CA GLU A 40 -1.735 -2.983 -3.588 1.00 0.00 C ATOM 623 C GLU A 40 -1.055 -1.743 -3.004 1.00 0.00 C ATOM 624 O GLU A 40 -1.438 -1.244 -1.965 1.00 0.00 O ATOM 625 CB GLU A 40 -3.158 -2.652 -4.043 1.00 0.00 C ATOM 626 CG GLU A 40 -3.103 -1.706 -5.244 1.00 0.00 C ATOM 627 CD GLU A 40 -4.375 -1.870 -6.080 1.00 0.00 C ATOM 628 OE1 GLU A 40 -5.407 -2.166 -5.501 1.00 0.00 O ATOM 629 OE2 GLU A 40 -4.294 -1.696 -7.286 1.00 0.00 O ATOM 0 H GLU A 40 -2.010 -3.660 -1.583 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.112 -3.327 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.687 -3.566 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.714 -2.189 -3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.008 -0.675 -4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.225 -1.923 -5.852 1.00 0.00 H new ATOM 636 N ARG A 41 -0.044 -1.242 -3.663 1.00 0.00 N ATOM 637 CA ARG A 41 0.660 -0.036 -3.141 1.00 0.00 C ATOM 638 C ARG A 41 0.411 1.164 -4.060 1.00 0.00 C ATOM 639 O ARG A 41 0.007 1.016 -5.197 1.00 0.00 O ATOM 640 CB ARG A 41 2.143 -0.412 -3.142 1.00 0.00 C ATOM 641 CG ARG A 41 2.710 -0.257 -1.730 1.00 0.00 C ATOM 642 CD ARG A 41 3.578 1.003 -1.663 1.00 0.00 C ATOM 643 NE ARG A 41 4.707 0.645 -0.762 1.00 0.00 N ATOM 644 CZ ARG A 41 4.777 1.163 0.434 1.00 0.00 C ATOM 645 NH1 ARG A 41 5.048 2.431 0.580 1.00 0.00 N ATOM 646 NH2 ARG A 41 4.577 0.414 1.483 1.00 0.00 N ATOM 0 H ARG A 41 0.324 -1.615 -4.538 1.00 0.00 H new ATOM 0 HA ARG A 41 0.311 0.247 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.268 -1.439 -3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.690 0.225 -3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.898 -0.191 -1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.302 -1.134 -1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.937 1.288 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.014 1.850 -1.272 1.00 0.00 H new ATOM 0 HE ARG A 41 5.426 -0.005 -1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.205 3.017 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.103 2.837 1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.366 -0.577 1.369 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.632 0.820 2.417 1.00 0.00 H new ATOM 660 N GLY A 42 0.649 2.353 -3.575 1.00 0.00 N ATOM 661 CA GLY A 42 0.426 3.562 -4.417 1.00 0.00 C ATOM 662 C GLY A 42 0.592 4.819 -3.560 1.00 0.00 C ATOM 663 O GLY A 42 1.048 4.757 -2.436 1.00 0.00 O ATOM 0 H GLY A 42 0.988 2.539 -2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.135 3.577 -5.245 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.573 3.535 -4.853 1.00 0.00 H new ATOM 667 N CYS A 43 0.227 5.959 -4.081 1.00 0.00 N ATOM 668 CA CYS A 43 0.365 7.217 -3.293 1.00 0.00 C ATOM 669 C CYS A 43 -0.979 7.948 -3.219 1.00 0.00 C ATOM 670 O CYS A 43 -1.549 8.321 -4.225 1.00 0.00 O ATOM 671 CB CYS A 43 1.392 8.053 -4.057 1.00 0.00 C ATOM 672 SG CYS A 43 2.765 8.478 -2.956 1.00 0.00 S ATOM 0 H CYS A 43 -0.161 6.074 -5.018 1.00 0.00 H new ATOM 0 HA CYS A 43 0.678 7.028 -2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 43 1.762 7.496 -4.918 1.00 0.00 H new ATOM 0 HB3 CYS A 43 0.925 8.960 -4.440 1.00 0.00 H new ATOM 677 N ALA A 44 -1.487 8.156 -2.035 1.00 0.00 N ATOM 678 CA ALA A 44 -2.792 8.864 -1.896 1.00 0.00 C ATOM 679 C ALA A 44 -2.919 9.460 -0.491 1.00 0.00 C ATOM 680 O ALA A 44 -1.976 9.471 0.275 1.00 0.00 O ATOM 681 CB ALA A 44 -3.854 7.786 -2.119 1.00 0.00 C ATOM 0 H ALA A 44 -1.055 7.866 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.894 9.687 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.846 8.229 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.734 7.357 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.740 7.003 -1.370 1.00 0.00 H new ATOM 687 N ALA A 45 -4.075 9.956 -0.146 1.00 0.00 N ATOM 688 CA ALA A 45 -4.256 10.550 1.210 1.00 0.00 C ATOM 689 C ALA A 45 -5.434 9.888 1.931 1.00 0.00 C ATOM 690 O ALA A 45 -5.651 10.100 3.108 1.00 0.00 O ATOM 691 CB ALA A 45 -4.545 12.030 0.959 1.00 0.00 C ATOM 0 H ALA A 45 -4.902 9.976 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.379 10.406 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.691 12.539 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.704 12.481 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.447 12.127 0.354 1.00 0.00 H new ATOM 697 N THR A 46 -6.196 9.088 1.236 1.00 0.00 N ATOM 698 CA THR A 46 -7.359 8.417 1.887 1.00 0.00 C ATOM 699 C THR A 46 -6.884 7.569 3.071 1.00 0.00 C ATOM 700 O THR A 46 -7.168 7.869 4.214 1.00 0.00 O ATOM 701 CB THR A 46 -7.964 7.529 0.798 1.00 0.00 C ATOM 702 OG1 THR A 46 -8.041 8.259 -0.418 1.00 0.00 O ATOM 703 CG2 THR A 46 -9.366 7.087 1.221 1.00 0.00 C ATOM 0 H THR A 46 -6.065 8.870 0.248 1.00 0.00 H new ATOM 0 HA THR A 46 -8.083 9.131 2.279 1.00 0.00 H new ATOM 0 HB THR A 46 -7.336 6.650 0.654 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.427 7.691 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.798 6.454 0.445 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.305 6.527 2.154 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.996 7.965 1.365 1.00 0.00 H new ATOM 711 N CYS A 47 -6.164 6.514 2.806 1.00 0.00 N ATOM 712 CA CYS A 47 -5.671 5.649 3.917 1.00 0.00 C ATOM 713 C CYS A 47 -6.830 5.260 4.838 1.00 0.00 C ATOM 714 O CYS A 47 -6.843 5.610 6.002 1.00 0.00 O ATOM 715 CB CYS A 47 -4.656 6.513 4.667 1.00 0.00 C ATOM 716 SG CYS A 47 -4.012 5.593 6.088 1.00 0.00 S ATOM 0 H CYS A 47 -5.895 6.213 1.869 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.229 4.721 3.555 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.839 6.794 4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.126 7.437 5.002 1.00 0.00 H new ATOM 721 N PRO A 48 -7.768 4.543 4.283 1.00 0.00 N ATOM 722 CA PRO A 48 -8.948 4.098 5.064 1.00 0.00 C ATOM 723 C PRO A 48 -8.556 2.970 6.023 1.00 0.00 C ATOM 724 O PRO A 48 -7.394 2.749 6.297 1.00 0.00 O ATOM 725 CB PRO A 48 -9.915 3.595 3.996 1.00 0.00 C ATOM 726 CG PRO A 48 -9.051 3.216 2.834 1.00 0.00 C ATOM 727 CD PRO A 48 -7.820 4.084 2.891 1.00 0.00 C ATOM 0 HA PRO A 48 -9.378 4.886 5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.489 2.741 4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.632 4.367 3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -8.780 2.161 2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.583 3.365 1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.925 3.523 2.623 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.891 4.922 2.198 1.00 0.00 H new ATOM 735 N LYS A 49 -9.520 2.255 6.536 1.00 0.00 N ATOM 736 CA LYS A 49 -9.201 1.143 7.477 1.00 0.00 C ATOM 737 C LYS A 49 -9.698 -0.189 6.910 1.00 0.00 C ATOM 738 O LYS A 49 -9.618 -0.439 5.723 1.00 0.00 O ATOM 739 CB LYS A 49 -9.947 1.492 8.764 1.00 0.00 C ATOM 740 CG LYS A 49 -9.570 2.907 9.206 1.00 0.00 C ATOM 741 CD LYS A 49 -10.828 3.659 9.644 1.00 0.00 C ATOM 742 CE LYS A 49 -10.960 3.590 11.167 1.00 0.00 C ATOM 743 NZ LYS A 49 -11.587 4.884 11.555 1.00 0.00 N ATOM 0 H LYS A 49 -10.513 2.392 6.345 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.129 1.035 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.023 1.425 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.697 0.776 9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.855 2.864 10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.083 3.437 8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.775 4.698 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.708 3.223 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.577 2.745 11.472 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.988 3.464 11.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.711 4.914 12.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.974 5.670 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.514 4.973 11.092 1.00 0.00 H new ATOM 757 N GLY A 50 -10.210 -1.047 7.749 1.00 0.00 N ATOM 758 CA GLY A 50 -10.710 -2.363 7.259 1.00 0.00 C ATOM 759 C GLY A 50 -12.017 -2.710 7.972 1.00 0.00 C ATOM 760 O GLY A 50 -12.587 -1.898 8.673 1.00 0.00 O ATOM 0 H GLY A 50 -10.304 -0.894 8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.870 -2.325 6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.966 -3.138 7.443 1.00 0.00 H new ATOM 764 N SER A 51 -12.496 -3.912 7.801 1.00 0.00 N ATOM 765 CA SER A 51 -13.767 -4.311 8.471 1.00 0.00 C ATOM 766 C SER A 51 -13.706 -5.783 8.887 1.00 0.00 C ATOM 767 O SER A 51 -12.679 -6.425 8.781 1.00 0.00 O ATOM 768 CB SER A 51 -14.855 -4.093 7.421 1.00 0.00 C ATOM 769 OG SER A 51 -15.115 -5.321 6.754 1.00 0.00 O ATOM 0 H SER A 51 -12.063 -4.635 7.227 1.00 0.00 H new ATOM 0 HA SER A 51 -13.955 -3.734 9.376 1.00 0.00 H new ATOM 0 HB2 SER A 51 -15.765 -3.723 7.894 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.538 -3.336 6.704 1.00 0.00 H new ATOM 0 HG SER A 51 -15.814 -5.186 6.080 1.00 0.00 H new ATOM 775 N VAL A 52 -14.796 -6.323 9.358 1.00 0.00 N ATOM 776 CA VAL A 52 -14.797 -7.754 9.779 1.00 0.00 C ATOM 777 C VAL A 52 -14.071 -8.610 8.738 1.00 0.00 C ATOM 778 O VAL A 52 -13.474 -9.619 9.058 1.00 0.00 O ATOM 779 CB VAL A 52 -16.273 -8.143 9.858 1.00 0.00 C ATOM 780 CG1 VAL A 52 -16.395 -9.664 9.973 1.00 0.00 C ATOM 781 CG2 VAL A 52 -16.907 -7.488 11.087 1.00 0.00 C ATOM 0 H VAL A 52 -15.686 -5.837 9.470 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.285 -7.906 10.729 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.786 -7.804 8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -17.448 -9.941 10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -15.943 -10.132 9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -15.882 -10.003 10.873 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -17.960 -7.765 11.144 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -16.393 -7.828 11.986 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -16.821 -6.404 11.007 1.00 0.00 H new ATOM 791 N TYR A 53 -14.116 -8.216 7.496 1.00 0.00 N ATOM 792 CA TYR A 53 -13.425 -9.008 6.437 1.00 0.00 C ATOM 793 C TYR A 53 -11.931 -9.115 6.750 1.00 0.00 C ATOM 794 O TYR A 53 -11.413 -10.186 6.997 1.00 0.00 O ATOM 795 CB TYR A 53 -13.650 -8.221 5.145 1.00 0.00 C ATOM 796 CG TYR A 53 -14.706 -8.910 4.313 1.00 0.00 C ATOM 797 CD1 TYR A 53 -14.337 -9.905 3.399 1.00 0.00 C ATOM 798 CD2 TYR A 53 -16.051 -8.551 4.452 1.00 0.00 C ATOM 799 CE1 TYR A 53 -15.316 -10.542 2.626 1.00 0.00 C ATOM 800 CE2 TYR A 53 -17.030 -9.188 3.680 1.00 0.00 C ATOM 801 CZ TYR A 53 -16.663 -10.184 2.767 1.00 0.00 C ATOM 802 OH TYR A 53 -17.627 -10.813 2.005 1.00 0.00 O ATOM 0 H TYR A 53 -14.601 -7.381 7.167 1.00 0.00 H new ATOM 0 HA TYR A 53 -13.807 -10.026 6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -13.962 -7.202 5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -12.719 -8.149 4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -13.298 -10.181 3.290 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -16.334 -7.782 5.155 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -15.032 -11.309 1.921 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -18.068 -8.911 3.789 1.00 0.00 H new ATOM 0 HH TYR A 53 -18.509 -10.448 2.227 1.00 0.00 H new ATOM 812 N GLY A 54 -11.234 -8.012 6.740 1.00 0.00 N ATOM 813 CA GLY A 54 -9.773 -8.049 7.037 1.00 0.00 C ATOM 814 C GLY A 54 -9.023 -7.184 6.022 1.00 0.00 C ATOM 815 O GLY A 54 -8.210 -7.668 5.261 1.00 0.00 O ATOM 0 H GLY A 54 -11.613 -7.086 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.587 -7.686 8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.409 -9.075 6.995 1.00 0.00 H new ATOM 819 N LEU A 55 -9.291 -5.907 6.005 1.00 0.00 N ATOM 820 CA LEU A 55 -8.593 -5.013 5.037 1.00 0.00 C ATOM 821 C LEU A 55 -7.365 -4.377 5.693 1.00 0.00 C ATOM 822 O LEU A 55 -7.478 -3.574 6.598 1.00 0.00 O ATOM 823 CB LEU A 55 -9.619 -3.940 4.674 1.00 0.00 C ATOM 824 CG LEU A 55 -10.046 -4.114 3.216 1.00 0.00 C ATOM 825 CD1 LEU A 55 -11.347 -4.917 3.157 1.00 0.00 C ATOM 826 CD2 LEU A 55 -10.268 -2.739 2.583 1.00 0.00 C ATOM 0 H LEU A 55 -9.962 -5.444 6.618 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.241 -5.554 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.487 -4.015 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.192 -2.948 4.823 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.266 -4.645 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.651 -5.041 2.118 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.191 -5.897 3.609 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -12.127 -4.386 3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.572 -2.862 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.048 -2.209 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.342 -2.166 2.624 1.00 0.00 H new ATOM 838 N TYR A 56 -6.191 -4.728 5.242 1.00 0.00 N ATOM 839 CA TYR A 56 -4.958 -4.141 5.836 1.00 0.00 C ATOM 840 C TYR A 56 -4.536 -2.898 5.047 1.00 0.00 C ATOM 841 O TYR A 56 -3.858 -2.990 4.042 1.00 0.00 O ATOM 842 CB TYR A 56 -3.901 -5.239 5.719 1.00 0.00 C ATOM 843 CG TYR A 56 -4.051 -6.206 6.868 1.00 0.00 C ATOM 844 CD1 TYR A 56 -5.255 -6.896 7.047 1.00 0.00 C ATOM 845 CD2 TYR A 56 -2.988 -6.410 7.756 1.00 0.00 C ATOM 846 CE1 TYR A 56 -5.397 -7.793 8.114 1.00 0.00 C ATOM 847 CE2 TYR A 56 -3.129 -7.306 8.822 1.00 0.00 C ATOM 848 CZ TYR A 56 -4.333 -7.997 9.002 1.00 0.00 C ATOM 849 OH TYR A 56 -4.473 -8.881 10.052 1.00 0.00 O ATOM 0 H TYR A 56 -6.034 -5.396 4.488 1.00 0.00 H new ATOM 0 HA TYR A 56 -5.103 -3.827 6.870 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.011 -5.765 4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -2.903 -4.800 5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.075 -6.737 6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -2.059 -5.876 7.618 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.326 -8.327 8.252 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.308 -7.464 9.506 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.642 -8.906 10.571 1.00 0.00 H new ATOM 859 N VAL A 57 -4.934 -1.738 5.492 1.00 0.00 N ATOM 860 CA VAL A 57 -4.559 -0.491 4.766 1.00 0.00 C ATOM 861 C VAL A 57 -3.623 0.361 5.625 1.00 0.00 C ATOM 862 O VAL A 57 -3.699 0.353 6.839 1.00 0.00 O ATOM 863 CB VAL A 57 -5.878 0.243 4.529 1.00 0.00 C ATOM 864 CG1 VAL A 57 -5.624 1.480 3.665 1.00 0.00 C ATOM 865 CG2 VAL A 57 -6.859 -0.687 3.811 1.00 0.00 C ATOM 0 H VAL A 57 -5.503 -1.599 6.327 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.034 -0.701 3.834 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.301 0.548 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.564 2.005 3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.926 2.143 4.175 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.201 1.175 2.708 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.800 -0.163 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.437 -0.992 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.040 -1.569 4.425 1.00 0.00 H new ATOM 875 N LEU A 58 -2.743 1.101 5.009 1.00 0.00 N ATOM 876 CA LEU A 58 -1.807 1.954 5.798 1.00 0.00 C ATOM 877 C LEU A 58 -1.298 3.119 4.945 1.00 0.00 C ATOM 878 O LEU A 58 -1.378 3.096 3.734 1.00 0.00 O ATOM 879 CB LEU A 58 -0.655 1.025 6.182 1.00 0.00 C ATOM 880 CG LEU A 58 -0.753 0.680 7.669 1.00 0.00 C ATOM 881 CD1 LEU A 58 -1.185 -0.778 7.829 1.00 0.00 C ATOM 882 CD2 LEU A 58 0.613 0.881 8.328 1.00 0.00 C ATOM 0 H LEU A 58 -2.631 1.153 3.997 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.288 2.392 6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.692 0.115 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.300 1.506 5.971 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.488 1.330 8.145 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.254 -1.023 8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.158 -0.923 7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.451 -1.429 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.545 0.636 9.388 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.346 0.231 7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.922 1.920 8.215 1.00 0.00 H new ATOM 894 N CYS A 59 -0.771 4.137 5.571 1.00 0.00 N ATOM 895 CA CYS A 59 -0.249 5.308 4.804 1.00 0.00 C ATOM 896 C CYS A 59 0.990 5.877 5.497 1.00 0.00 C ATOM 897 O CYS A 59 1.131 5.795 6.701 1.00 0.00 O ATOM 898 CB CYS A 59 -1.380 6.343 4.794 1.00 0.00 C ATOM 899 SG CYS A 59 -2.189 6.401 6.415 1.00 0.00 S ATOM 0 H CYS A 59 -0.679 4.209 6.584 1.00 0.00 H new ATOM 0 HA CYS A 59 0.043 5.030 3.791 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.981 7.326 4.543 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.109 6.089 4.024 1.00 0.00 H new ATOM 904 N CYS A 60 1.891 6.450 4.748 1.00 0.00 N ATOM 905 CA CYS A 60 3.119 7.019 5.372 1.00 0.00 C ATOM 906 C CYS A 60 3.776 8.037 4.438 1.00 0.00 C ATOM 907 O CYS A 60 3.226 8.417 3.422 1.00 0.00 O ATOM 908 CB CYS A 60 4.047 5.825 5.583 1.00 0.00 C ATOM 909 SG CYS A 60 4.589 5.770 7.309 1.00 0.00 S ATOM 0 H CYS A 60 1.831 6.549 3.735 1.00 0.00 H new ATOM 0 HA CYS A 60 2.896 7.540 6.303 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.530 4.901 5.325 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.911 5.903 4.923 1.00 0.00 H new ATOM 914 N THR A 61 4.956 8.476 4.779 1.00 0.00 N ATOM 915 CA THR A 61 5.668 9.466 3.932 1.00 0.00 C ATOM 916 C THR A 61 6.519 8.751 2.876 1.00 0.00 C ATOM 917 O THR A 61 6.301 7.596 2.569 1.00 0.00 O ATOM 918 CB THR A 61 6.553 10.240 4.911 1.00 0.00 C ATOM 919 OG1 THR A 61 6.995 9.362 5.936 1.00 0.00 O ATOM 920 CG2 THR A 61 5.748 11.383 5.531 1.00 0.00 C ATOM 0 H THR A 61 5.460 8.186 5.617 1.00 0.00 H new ATOM 0 HA THR A 61 4.986 10.120 3.388 1.00 0.00 H new ATOM 0 HB THR A 61 7.414 10.649 4.382 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.084 9.858 6.776 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.378 11.935 6.229 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.404 12.054 4.744 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.888 10.976 6.063 1.00 0.00 H new ATOM 928 N THR A 62 7.483 9.430 2.318 1.00 0.00 N ATOM 929 CA THR A 62 8.346 8.795 1.280 1.00 0.00 C ATOM 930 C THR A 62 9.062 7.565 1.853 1.00 0.00 C ATOM 931 O THR A 62 8.808 7.159 2.969 1.00 0.00 O ATOM 932 CB THR A 62 9.360 9.874 0.901 1.00 0.00 C ATOM 933 OG1 THR A 62 9.488 10.798 1.973 1.00 0.00 O ATOM 934 CG2 THR A 62 8.881 10.610 -0.353 1.00 0.00 C ATOM 0 H THR A 62 7.712 10.400 2.536 1.00 0.00 H new ATOM 0 HA THR A 62 7.769 8.450 0.422 1.00 0.00 H new ATOM 0 HB THR A 62 10.326 9.411 0.701 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.828 11.515 1.867 1.00 0.00 H new ATOM 0 HG21 THR A 62 9.605 11.379 -0.622 1.00 0.00 H new ATOM 0 HG22 THR A 62 8.782 9.901 -1.175 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.915 11.074 -0.156 1.00 0.00 H new ATOM 942 N ASP A 63 9.953 6.978 1.086 1.00 0.00 N ATOM 943 CA ASP A 63 10.707 5.772 1.555 1.00 0.00 C ATOM 944 C ASP A 63 9.849 4.928 2.500 1.00 0.00 C ATOM 945 O ASP A 63 10.108 4.858 3.683 1.00 0.00 O ATOM 946 CB ASP A 63 11.925 6.329 2.292 1.00 0.00 C ATOM 947 CG ASP A 63 13.187 5.614 1.806 1.00 0.00 C ATOM 948 OD1 ASP A 63 13.097 4.438 1.497 1.00 0.00 O ATOM 949 OD2 ASP A 63 14.224 6.255 1.753 1.00 0.00 O ATOM 0 H ASP A 63 10.191 7.288 0.144 1.00 0.00 H new ATOM 0 HA ASP A 63 10.989 5.121 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.011 7.401 2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.807 6.191 3.367 1.00 0.00 H new ATOM 954 N ASP A 64 8.829 4.294 1.985 1.00 0.00 N ATOM 955 CA ASP A 64 7.944 3.459 2.859 1.00 0.00 C ATOM 956 C ASP A 64 7.321 4.317 3.973 1.00 0.00 C ATOM 957 O ASP A 64 6.150 4.631 3.930 1.00 0.00 O ATOM 958 CB ASP A 64 8.862 2.389 3.451 1.00 0.00 C ATOM 959 CG ASP A 64 8.042 1.442 4.328 1.00 0.00 C ATOM 960 OD1 ASP A 64 7.032 1.880 4.855 1.00 0.00 O ATOM 961 OD2 ASP A 64 8.435 0.294 4.457 1.00 0.00 O ATOM 0 H ASP A 64 8.568 4.316 0.999 1.00 0.00 H new ATOM 0 HA ASP A 64 7.115 3.021 2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.350 1.831 2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.650 2.857 4.041 1.00 0.00 H new ATOM 966 N CYS A 65 8.088 4.712 4.964 1.00 0.00 N ATOM 967 CA CYS A 65 7.527 5.559 6.055 1.00 0.00 C ATOM 968 C CYS A 65 8.492 6.711 6.357 1.00 0.00 C ATOM 969 O CYS A 65 8.545 7.219 7.458 1.00 0.00 O ATOM 970 CB CYS A 65 7.400 4.629 7.263 1.00 0.00 C ATOM 971 SG CYS A 65 5.683 4.075 7.425 1.00 0.00 S ATOM 0 H CYS A 65 9.077 4.482 5.060 1.00 0.00 H new ATOM 0 HA CYS A 65 6.567 6.001 5.790 1.00 0.00 H new ATOM 0 HB2 CYS A 65 8.060 3.770 7.144 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.712 5.148 8.169 1.00 0.00 H new ATOM 976 N ASN A 66 9.255 7.120 5.378 1.00 0.00 N ATOM 977 CA ASN A 66 10.230 8.235 5.582 1.00 0.00 C ATOM 978 C ASN A 66 9.602 9.359 6.412 1.00 0.00 C ATOM 979 O ASN A 66 9.112 10.305 5.817 1.00 0.00 O ATOM 980 CB ASN A 66 10.549 8.726 4.170 1.00 0.00 C ATOM 981 CG ASN A 66 11.834 9.555 4.181 1.00 0.00 C ATOM 982 OD1 ASN A 66 12.312 9.947 5.228 1.00 0.00 O ATOM 983 ND2 ASN A 66 12.418 9.839 3.048 1.00 0.00 N ATOM 984 OXT ASN A 66 9.630 9.260 7.627 1.00 0.00 O ATOM 0 H ASN A 66 9.245 6.727 4.437 1.00 0.00 H new ATOM 0 HA ASN A 66 11.120 7.913 6.123 1.00 0.00 H new ATOM 0 HB2 ASN A 66 10.661 7.876 3.497 1.00 0.00 H new ATOM 0 HB3 ASN A 66 9.723 9.326 3.790 1.00 0.00 H new ATOM 0 HD21 ASN A 66 13.276 10.390 3.041 1.00 0.00 H new ATOM 0 HD22 ASN A 66 12.016 9.510 2.170 1.00 0.00 H new