USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 634 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 Single : A 1 ARG N :NH3+ 151:sc= -0.0356 (180deg=-0.596) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -160:sc= 0.047 USER MOD Single : A 7 GLN : amide:sc= -0.266 K(o=-0.27,f=-2.6!) USER MOD Single : A 8 MET CE :methyl -128:sc= -0.673 (180deg=-4.32!) USER MOD Single : A 14 LYS NZ :NH3+ -147:sc= -5e-05 (180deg=-0.116) USER MOD Single : A 15 LYS NZ :NH3+ -117:sc= -0.0572 (180deg=-1.47) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 55:sc= -1.23 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0109) USER MOD Single : A 36 LYS NZ :NH3+ -124:sc=-0.00521! (180deg=-1.89!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.022) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot -4:sc= -1.72 USER MOD Single : A 54 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.22) USER MOD Single : A 55 SER OG : rot -23:sc= -0.352 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -13.8! C(o=-14!,f=-14!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.032) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.201 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 0.055 -12.096 2.306 1.00 0.00 N ATOM 2 CA ARG A 1 0.461 -10.987 1.458 1.00 0.00 C ATOM 3 C ARG A 1 1.401 -11.479 0.356 1.00 0.00 C ATOM 4 O ARG A 1 2.620 -11.458 0.520 1.00 0.00 O ATOM 5 CB ARG A 1 1.163 -9.899 2.272 1.00 0.00 C ATOM 6 CG ARG A 1 2.370 -10.468 3.021 1.00 0.00 C ATOM 7 CD ARG A 1 3.645 -9.699 2.670 1.00 0.00 C ATOM 8 NE ARG A 1 4.748 -10.115 3.564 1.00 0.00 N ATOM 9 CZ ARG A 1 6.039 -9.824 3.350 1.00 0.00 C ATOM 10 NH1 ARG A 1 6.396 -9.116 2.271 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.973 -10.242 4.217 1.00 0.00 N ATOM 0 H1 ARG A 1 -0.142 -11.746 3.265 1.00 0.00 H new ATOM 0 H2 ARG A 1 -0.803 -12.536 1.915 1.00 0.00 H new ATOM 0 H3 ARG A 1 0.819 -12.801 2.345 1.00 0.00 H new ATOM 0 HA ARG A 1 -0.439 -10.564 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.487 -9.096 1.610 1.00 0.00 H new ATOM 0 HB3 ARG A 1 0.462 -9.462 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.194 -10.416 4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.495 -11.521 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.918 -9.885 1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 1 3.472 -8.627 2.767 1.00 0.00 H new ATOM 0 HE ARG A 1 4.511 -10.657 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.686 -8.798 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 1 7.378 -8.895 2.108 1.00 0.00 H new ATOM 0 HH21 ARG A 1 6.701 -10.781 5.039 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.955 -10.021 4.054 1.00 0.00 H new ATOM 25 N SER A 2 0.800 -11.909 -0.743 1.00 0.00 N ATOM 26 CA SER A 2 1.570 -12.405 -1.872 1.00 0.00 C ATOM 27 C SER A 2 1.026 -11.815 -3.175 1.00 0.00 C ATOM 28 O SER A 2 0.042 -11.077 -3.164 1.00 0.00 O ATOM 29 CB SER A 2 1.542 -13.934 -1.929 1.00 0.00 C ATOM 30 OG SER A 2 0.367 -14.423 -2.573 1.00 0.00 O ATOM 0 H SER A 2 -0.211 -11.925 -0.876 1.00 0.00 H new ATOM 0 HA SER A 2 2.606 -12.093 -1.743 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.423 -14.293 -2.461 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.595 -14.336 -0.917 1.00 0.00 H new ATOM 0 HG SER A 2 0.387 -15.403 -2.591 1.00 0.00 H new ATOM 36 N ALA A 3 1.691 -12.163 -4.268 1.00 0.00 N ATOM 37 CA ALA A 3 1.287 -11.677 -5.576 1.00 0.00 C ATOM 38 C ALA A 3 1.873 -10.281 -5.800 1.00 0.00 C ATOM 39 O ALA A 3 2.777 -10.106 -6.615 1.00 0.00 O ATOM 40 CB ALA A 3 -0.239 -11.692 -5.678 1.00 0.00 C ATOM 0 H ALA A 3 2.507 -12.776 -4.274 1.00 0.00 H new ATOM 0 HA ALA A 3 1.672 -12.326 -6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.542 -11.327 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -0.603 -12.710 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.662 -11.049 -4.906 1.00 0.00 H new ATOM 46 N LEU A 4 1.332 -9.322 -5.062 1.00 0.00 N ATOM 47 CA LEU A 4 1.790 -7.948 -5.169 1.00 0.00 C ATOM 48 C LEU A 4 2.802 -7.662 -4.058 1.00 0.00 C ATOM 49 O LEU A 4 4.009 -7.741 -4.279 1.00 0.00 O ATOM 50 CB LEU A 4 0.599 -6.986 -5.178 1.00 0.00 C ATOM 51 CG LEU A 4 -0.414 -7.183 -6.307 1.00 0.00 C ATOM 52 CD1 LEU A 4 -1.176 -5.887 -6.594 1.00 0.00 C ATOM 53 CD2 LEU A 4 0.263 -7.740 -7.561 1.00 0.00 C ATOM 0 H LEU A 4 0.581 -9.470 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 4 2.305 -7.792 -6.117 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.075 -7.079 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 4 0.981 -5.967 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 4 -1.147 -7.922 -5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.889 -6.055 -7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.710 -5.573 -5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.472 -5.109 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.480 -7.870 -8.348 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.031 -7.045 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 4 0.720 -8.702 -7.331 1.00 0.00 H new ATOM 65 N SER A 5 2.272 -7.338 -2.888 1.00 0.00 N ATOM 66 CA SER A 5 3.115 -7.041 -1.742 1.00 0.00 C ATOM 67 C SER A 5 3.936 -5.778 -2.010 1.00 0.00 C ATOM 68 O SER A 5 3.648 -4.718 -1.458 1.00 0.00 O ATOM 69 CB SER A 5 4.038 -8.217 -1.418 1.00 0.00 C ATOM 70 OG SER A 5 4.934 -7.914 -0.352 1.00 0.00 O ATOM 0 H SER A 5 1.270 -7.275 -2.709 1.00 0.00 H new ATOM 0 HA SER A 5 2.472 -6.871 -0.878 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.437 -9.086 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.609 -8.485 -2.307 1.00 0.00 H new ATOM 0 HG SER A 5 5.695 -8.531 -0.379 1.00 0.00 H new ATOM 76 N CYS A 6 4.943 -5.935 -2.856 1.00 0.00 N ATOM 77 CA CYS A 6 5.809 -4.821 -3.204 1.00 0.00 C ATOM 78 C CYS A 6 4.949 -3.720 -3.827 1.00 0.00 C ATOM 79 O CYS A 6 4.765 -2.659 -3.233 1.00 0.00 O ATOM 80 CB CYS A 6 6.943 -5.254 -4.135 1.00 0.00 C ATOM 81 SG CYS A 6 8.312 -4.050 -4.290 1.00 0.00 S ATOM 0 H CYS A 6 5.179 -6.817 -3.311 1.00 0.00 H new ATOM 0 HA CYS A 6 6.292 -4.439 -2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.349 -6.199 -3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.529 -5.441 -5.126 1.00 0.00 H new ATOM 86 N GLN A 7 4.444 -4.011 -5.018 1.00 0.00 N ATOM 87 CA GLN A 7 3.607 -3.059 -5.728 1.00 0.00 C ATOM 88 C GLN A 7 2.672 -2.342 -4.752 1.00 0.00 C ATOM 89 O GLN A 7 2.556 -1.118 -4.785 1.00 0.00 O ATOM 90 CB GLN A 7 2.814 -3.749 -6.839 1.00 0.00 C ATOM 91 CG GLN A 7 3.367 -3.381 -8.218 1.00 0.00 C ATOM 92 CD GLN A 7 2.511 -2.300 -8.881 1.00 0.00 C ATOM 93 OE1 GLN A 7 1.389 -2.030 -8.484 1.00 0.00 O ATOM 94 NE2 GLN A 7 3.101 -1.699 -9.911 1.00 0.00 N ATOM 0 H GLN A 7 4.599 -4.892 -5.508 1.00 0.00 H new ATOM 0 HA GLN A 7 4.253 -2.315 -6.195 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.856 -4.830 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 7 1.765 -3.460 -6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.393 -3.028 -8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.394 -4.268 -8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.043 -1.974 -10.191 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.612 -0.963 -10.421 1.00 0.00 H new ATOM 103 N MET A 8 2.030 -3.135 -3.906 1.00 0.00 N ATOM 104 CA MET A 8 1.110 -2.590 -2.923 1.00 0.00 C ATOM 105 C MET A 8 1.732 -1.401 -2.189 1.00 0.00 C ATOM 106 O MET A 8 1.073 -0.384 -1.976 1.00 0.00 O ATOM 107 CB MET A 8 0.740 -3.678 -1.912 1.00 0.00 C ATOM 108 CG MET A 8 0.095 -4.877 -2.609 1.00 0.00 C ATOM 109 SD MET A 8 -1.429 -4.381 -3.395 1.00 0.00 S ATOM 110 CE MET A 8 -2.488 -5.729 -2.899 1.00 0.00 C ATOM 0 H MET A 8 2.129 -4.150 -3.881 1.00 0.00 H new ATOM 0 HA MET A 8 0.216 -2.244 -3.442 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.633 -4.001 -1.377 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.053 -3.271 -1.170 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.779 -5.288 -3.351 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.101 -5.667 -1.884 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.976 -6.151 -3.778 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.892 -6.499 -2.410 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.244 -5.361 -2.206 1.00 0.00 H new ATOM 120 N CYS A 9 2.994 -1.568 -1.820 1.00 0.00 N ATOM 121 CA CYS A 9 3.712 -0.521 -1.115 1.00 0.00 C ATOM 122 C CYS A 9 3.767 0.715 -2.014 1.00 0.00 C ATOM 123 O CYS A 9 3.767 1.843 -1.526 1.00 0.00 O ATOM 124 CB CYS A 9 5.108 -0.981 -0.689 1.00 0.00 C ATOM 125 SG CYS A 9 6.402 -0.790 -1.970 1.00 0.00 S ATOM 0 H CYS A 9 3.537 -2.413 -1.996 1.00 0.00 H new ATOM 0 HA CYS A 9 3.186 -0.274 -0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.406 -0.419 0.196 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.057 -2.030 -0.398 1.00 0.00 H new ATOM 130 N GLU A 10 3.815 0.460 -3.313 1.00 0.00 N ATOM 131 CA GLU A 10 3.870 1.537 -4.286 1.00 0.00 C ATOM 132 C GLU A 10 2.471 2.109 -4.526 1.00 0.00 C ATOM 133 O GLU A 10 2.314 3.090 -5.251 1.00 0.00 O ATOM 134 CB GLU A 10 4.500 1.061 -5.597 1.00 0.00 C ATOM 135 CG GLU A 10 5.891 1.669 -5.789 1.00 0.00 C ATOM 136 CD GLU A 10 6.860 0.644 -6.380 1.00 0.00 C ATOM 137 OE1 GLU A 10 6.904 -0.479 -5.831 1.00 0.00 O ATOM 138 OE2 GLU A 10 7.536 1.006 -7.367 1.00 0.00 O ATOM 0 H GLU A 10 3.817 -0.478 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 10 4.501 2.330 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.571 -0.027 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.859 1.338 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.826 2.535 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.272 2.025 -4.832 1.00 0.00 H new ATOM 146 N LEU A 11 1.491 1.469 -3.904 1.00 0.00 N ATOM 147 CA LEU A 11 0.111 1.902 -4.042 1.00 0.00 C ATOM 148 C LEU A 11 -0.238 2.853 -2.894 1.00 0.00 C ATOM 149 O LEU A 11 -0.886 3.876 -3.107 1.00 0.00 O ATOM 150 CB LEU A 11 -0.822 0.693 -4.143 1.00 0.00 C ATOM 151 CG LEU A 11 -2.320 1.002 -4.171 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.662 1.952 -5.322 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.144 -0.285 -4.228 1.00 0.00 C ATOM 0 H LEU A 11 1.625 0.655 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.023 2.458 -4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.569 0.138 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.623 0.034 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.581 1.511 -3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.733 2.156 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.115 2.886 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.382 1.491 -6.269 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.205 -0.037 -4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.886 -0.843 -5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.929 -0.894 -3.350 1.00 0.00 H new ATOM 165 N VAL A 12 0.208 2.480 -1.703 1.00 0.00 N ATOM 166 CA VAL A 12 -0.048 3.286 -0.523 1.00 0.00 C ATOM 167 C VAL A 12 0.789 4.564 -0.590 1.00 0.00 C ATOM 168 O VAL A 12 0.284 5.656 -0.338 1.00 0.00 O ATOM 169 CB VAL A 12 0.217 2.464 0.741 1.00 0.00 C ATOM 170 CG1 VAL A 12 -0.541 1.135 0.699 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.716 2.234 0.940 1.00 0.00 C ATOM 0 H VAL A 12 0.745 1.630 -1.531 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.095 3.585 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.151 3.033 1.595 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.336 0.570 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.611 1.329 0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.217 0.558 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.877 1.648 1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.119 1.696 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.222 3.195 1.035 1.00 0.00 H new ATOM 181 N VAL A 13 2.057 4.385 -0.934 1.00 0.00 N ATOM 182 CA VAL A 13 2.970 5.510 -1.038 1.00 0.00 C ATOM 183 C VAL A 13 2.470 6.469 -2.121 1.00 0.00 C ATOM 184 O VAL A 13 2.194 7.635 -1.843 1.00 0.00 O ATOM 185 CB VAL A 13 4.393 5.007 -1.296 1.00 0.00 C ATOM 186 CG1 VAL A 13 4.869 4.104 -0.157 1.00 0.00 C ATOM 187 CG2 VAL A 13 4.484 4.287 -2.642 1.00 0.00 C ATOM 0 H VAL A 13 2.473 3.478 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 13 3.000 6.065 -0.100 1.00 0.00 H new ATOM 0 HB VAL A 13 5.053 5.873 -1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.882 3.760 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.860 4.663 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.204 3.244 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.505 3.940 -2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.806 3.434 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.206 4.974 -3.442 1.00 0.00 H new ATOM 197 N LYS A 14 2.368 5.941 -3.332 1.00 0.00 N ATOM 198 CA LYS A 14 1.905 6.735 -4.458 1.00 0.00 C ATOM 199 C LYS A 14 0.677 7.544 -4.035 1.00 0.00 C ATOM 200 O LYS A 14 0.448 8.641 -4.541 1.00 0.00 O ATOM 201 CB LYS A 14 1.666 5.845 -5.679 1.00 0.00 C ATOM 202 CG LYS A 14 0.368 5.048 -5.531 1.00 0.00 C ATOM 203 CD LYS A 14 0.017 4.326 -6.833 1.00 0.00 C ATOM 204 CE LYS A 14 -0.792 5.235 -7.762 1.00 0.00 C ATOM 205 NZ LYS A 14 0.061 5.741 -8.862 1.00 0.00 N ATOM 0 H LYS A 14 2.598 4.973 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 14 2.670 7.451 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.619 6.460 -6.578 1.00 0.00 H new ATOM 0 HB3 LYS A 14 2.505 5.161 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.473 4.322 -4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.445 5.718 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.931 4.008 -7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.555 3.425 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.638 4.684 -8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.201 6.072 -7.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.246 6.699 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.052 5.770 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.023 5.110 -9.685 1.00 0.00 H new ATOM 219 N LYS A 15 -0.081 6.969 -3.112 1.00 0.00 N ATOM 220 CA LYS A 15 -1.281 7.622 -2.617 1.00 0.00 C ATOM 221 C LYS A 15 -0.889 8.686 -1.590 1.00 0.00 C ATOM 222 O LYS A 15 -1.451 9.781 -1.580 1.00 0.00 O ATOM 223 CB LYS A 15 -2.272 6.587 -2.082 1.00 0.00 C ATOM 224 CG LYS A 15 -2.944 5.827 -3.227 1.00 0.00 C ATOM 225 CD LYS A 15 -3.851 6.751 -4.041 1.00 0.00 C ATOM 226 CE LYS A 15 -4.697 5.952 -5.036 1.00 0.00 C ATOM 227 NZ LYS A 15 -5.933 6.692 -5.376 1.00 0.00 N ATOM 0 H LYS A 15 0.113 6.059 -2.694 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.798 8.135 -3.428 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.753 5.884 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.030 7.084 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.183 5.394 -3.876 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.529 4.999 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.503 7.310 -3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.245 7.481 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.120 5.760 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.952 4.982 -4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.761 6.147 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.926 7.616 -4.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.981 6.833 -6.405 1.00 0.00 H new ATOM 241 N TYR A 16 0.072 8.329 -0.751 1.00 0.00 N ATOM 242 CA TYR A 16 0.545 9.240 0.277 1.00 0.00 C ATOM 243 C TYR A 16 1.444 10.324 -0.323 1.00 0.00 C ATOM 244 O TYR A 16 1.069 11.495 -0.360 1.00 0.00 O ATOM 245 CB TYR A 16 1.369 8.390 1.246 1.00 0.00 C ATOM 246 CG TYR A 16 2.133 9.205 2.293 1.00 0.00 C ATOM 247 CD1 TYR A 16 1.600 10.382 2.775 1.00 0.00 C ATOM 248 CD2 TYR A 16 3.356 8.761 2.754 1.00 0.00 C ATOM 249 CE1 TYR A 16 2.319 11.148 3.759 1.00 0.00 C ATOM 250 CE2 TYR A 16 4.075 9.527 3.739 1.00 0.00 C ATOM 251 CZ TYR A 16 3.521 10.682 4.193 1.00 0.00 C ATOM 252 OH TYR A 16 4.200 11.406 5.123 1.00 0.00 O ATOM 0 H TYR A 16 0.536 7.421 -0.762 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.293 9.737 0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.705 7.693 1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.080 7.793 0.675 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.643 10.729 2.414 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.774 7.839 2.376 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.913 12.072 4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.033 9.191 4.109 1.00 0.00 H new ATOM 0 HH TYR A 16 5.041 10.953 5.340 1.00 0.00 H new ATOM 262 N GLU A 17 2.613 9.895 -0.776 1.00 0.00 N ATOM 263 CA GLU A 17 3.567 10.815 -1.371 1.00 0.00 C ATOM 264 C GLU A 17 2.846 11.817 -2.275 1.00 0.00 C ATOM 265 O GLU A 17 3.183 13.000 -2.288 1.00 0.00 O ATOM 266 CB GLU A 17 4.648 10.058 -2.146 1.00 0.00 C ATOM 267 CG GLU A 17 5.526 9.235 -1.200 1.00 0.00 C ATOM 268 CD GLU A 17 6.432 10.142 -0.365 1.00 0.00 C ATOM 269 OE1 GLU A 17 5.965 10.580 0.708 1.00 0.00 O ATOM 270 OE2 GLU A 17 7.573 10.378 -0.821 1.00 0.00 O ATOM 0 H GLU A 17 2.921 8.923 -0.743 1.00 0.00 H new ATOM 0 HA GLU A 17 4.058 11.366 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.182 9.400 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.266 10.765 -2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.896 8.638 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.135 8.538 -1.777 1.00 0.00 H new ATOM 278 N GLY A 18 1.868 11.307 -3.008 1.00 0.00 N ATOM 279 CA GLY A 18 1.096 12.143 -3.911 1.00 0.00 C ATOM 280 C GLY A 18 -0.383 12.157 -3.518 1.00 0.00 C ATOM 281 O GLY A 18 -1.257 12.006 -4.370 1.00 0.00 O ATOM 0 H GLY A 18 1.592 10.325 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.489 13.160 -3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.201 11.775 -4.932 1.00 0.00 H new ATOM 285 N SER A 19 -0.616 12.340 -2.227 1.00 0.00 N ATOM 286 CA SER A 19 -1.973 12.377 -1.710 1.00 0.00 C ATOM 287 C SER A 19 -2.544 13.791 -1.836 1.00 0.00 C ATOM 288 O SER A 19 -3.614 13.983 -2.411 1.00 0.00 O ATOM 289 CB SER A 19 -2.020 11.914 -0.252 1.00 0.00 C ATOM 290 OG SER A 19 -3.147 11.080 0.007 1.00 0.00 O ATOM 0 H SER A 19 0.112 12.464 -1.524 1.00 0.00 H new ATOM 0 HA SER A 19 -2.582 11.693 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.105 11.371 -0.014 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.054 12.784 0.404 1.00 0.00 H new ATOM 0 HG SER A 19 -3.150 10.329 -0.623 1.00 0.00 H new ATOM 296 N ALA A 20 -1.804 14.744 -1.289 1.00 0.00 N ATOM 297 CA ALA A 20 -2.223 16.135 -1.333 1.00 0.00 C ATOM 298 C ALA A 20 -3.223 16.398 -0.207 1.00 0.00 C ATOM 299 O ALA A 20 -3.651 17.533 -0.003 1.00 0.00 O ATOM 300 CB ALA A 20 -2.803 16.450 -2.714 1.00 0.00 C ATOM 0 H ALA A 20 -0.917 14.581 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.371 16.797 -1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.117 17.493 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.043 16.275 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.662 15.806 -2.903 1.00 0.00 H new ATOM 306 N ASP A 21 -3.568 15.329 0.496 1.00 0.00 N ATOM 307 CA ASP A 21 -4.511 15.430 1.598 1.00 0.00 C ATOM 308 C ASP A 21 -3.774 15.193 2.917 1.00 0.00 C ATOM 309 O ASP A 21 -4.306 15.477 3.989 1.00 0.00 O ATOM 310 CB ASP A 21 -5.613 14.376 1.477 1.00 0.00 C ATOM 311 CG ASP A 21 -5.125 12.927 1.463 1.00 0.00 C ATOM 312 OD1 ASP A 21 -4.268 12.609 2.316 1.00 0.00 O ATOM 313 OD2 ASP A 21 -5.618 12.169 0.599 1.00 0.00 O ATOM 0 H ASP A 21 -3.212 14.389 0.324 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.957 16.424 1.570 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.307 14.501 2.308 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.174 14.563 0.562 1.00 0.00 H new ATOM 319 N LYS A 22 -2.560 14.676 2.796 1.00 0.00 N ATOM 320 CA LYS A 22 -1.744 14.400 3.967 1.00 0.00 C ATOM 321 C LYS A 22 -2.587 13.656 5.006 1.00 0.00 C ATOM 322 O LYS A 22 -2.809 14.160 6.105 1.00 0.00 O ATOM 323 CB LYS A 22 -1.111 15.687 4.495 1.00 0.00 C ATOM 324 CG LYS A 22 -0.379 16.437 3.380 1.00 0.00 C ATOM 325 CD LYS A 22 0.875 15.679 2.941 1.00 0.00 C ATOM 326 CE LYS A 22 2.141 16.452 3.313 1.00 0.00 C ATOM 327 NZ LYS A 22 3.276 15.523 3.512 1.00 0.00 N ATOM 0 H LYS A 22 -2.122 14.441 1.905 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.911 13.748 3.706 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.883 16.327 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.413 15.450 5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.045 16.569 2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.104 17.433 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.893 14.696 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.847 15.516 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.382 17.167 2.526 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.969 17.026 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.128 16.064 3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.050 14.857 4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.450 14.994 2.634 1.00 0.00 H new ATOM 341 N ASP A 23 -3.034 12.470 4.620 1.00 0.00 N ATOM 342 CA ASP A 23 -3.847 11.653 5.505 1.00 0.00 C ATOM 343 C ASP A 23 -3.638 10.176 5.162 1.00 0.00 C ATOM 344 O ASP A 23 -3.941 9.744 4.050 1.00 0.00 O ATOM 345 CB ASP A 23 -5.334 11.972 5.337 1.00 0.00 C ATOM 346 CG ASP A 23 -5.980 12.687 6.526 1.00 0.00 C ATOM 347 OD1 ASP A 23 -5.356 12.662 7.609 1.00 0.00 O ATOM 348 OD2 ASP A 23 -7.081 13.240 6.324 1.00 0.00 O ATOM 0 H ASP A 23 -2.849 12.055 3.707 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.547 11.864 6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.459 12.591 4.448 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.872 11.041 5.156 1.00 0.00 H new ATOM 354 N ALA A 24 -3.124 9.442 6.138 1.00 0.00 N ATOM 355 CA ALA A 24 -2.872 8.024 5.954 1.00 0.00 C ATOM 356 C ALA A 24 -4.204 7.270 5.949 1.00 0.00 C ATOM 357 O ALA A 24 -4.232 6.054 5.764 1.00 0.00 O ATOM 358 CB ALA A 24 -1.925 7.527 7.048 1.00 0.00 C ATOM 0 H ALA A 24 -2.875 9.803 7.059 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.386 7.842 4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.736 6.462 6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.984 8.073 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.380 7.691 8.025 1.00 0.00 H new ATOM 364 N ASN A 25 -5.274 8.023 6.154 1.00 0.00 N ATOM 365 CA ASN A 25 -6.605 7.441 6.176 1.00 0.00 C ATOM 366 C ASN A 25 -7.147 7.364 4.747 1.00 0.00 C ATOM 367 O ASN A 25 -7.643 6.323 4.323 1.00 0.00 O ATOM 368 CB ASN A 25 -7.567 8.298 7.001 1.00 0.00 C ATOM 369 CG ASN A 25 -7.819 7.674 8.374 1.00 0.00 C ATOM 370 OD1 ASN A 25 -8.870 7.116 8.648 1.00 0.00 O ATOM 371 ND2 ASN A 25 -6.801 7.798 9.220 1.00 0.00 N ATOM 0 H ASN A 25 -5.247 9.031 6.306 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.532 6.449 6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.154 9.299 7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.512 8.406 6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.871 7.414 10.162 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.949 8.277 8.927 1.00 0.00 H new ATOM 378 N VAL A 26 -7.032 8.482 4.044 1.00 0.00 N ATOM 379 CA VAL A 26 -7.504 8.554 2.672 1.00 0.00 C ATOM 380 C VAL A 26 -6.491 7.868 1.752 1.00 0.00 C ATOM 381 O VAL A 26 -6.836 7.440 0.652 1.00 0.00 O ATOM 382 CB VAL A 26 -7.771 10.010 2.286 1.00 0.00 C ATOM 383 CG1 VAL A 26 -8.845 10.101 1.201 1.00 0.00 C ATOM 384 CG2 VAL A 26 -8.159 10.839 3.512 1.00 0.00 C ATOM 0 H VAL A 26 -6.619 9.344 4.399 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.451 8.025 2.566 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.848 10.424 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.016 11.147 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.514 9.560 0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.772 9.662 1.569 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.343 11.870 3.210 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.062 10.425 3.960 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.348 10.813 4.240 1.00 0.00 H new ATOM 394 N ILE A 27 -5.261 7.785 2.237 1.00 0.00 N ATOM 395 CA ILE A 27 -4.195 7.159 1.473 1.00 0.00 C ATOM 396 C ILE A 27 -4.432 5.648 1.419 1.00 0.00 C ATOM 397 O ILE A 27 -4.622 5.083 0.344 1.00 0.00 O ATOM 398 CB ILE A 27 -2.829 7.548 2.040 1.00 0.00 C ATOM 399 CG1 ILE A 27 -2.540 9.032 1.806 1.00 0.00 C ATOM 400 CG2 ILE A 27 -1.726 6.652 1.474 1.00 0.00 C ATOM 401 CD1 ILE A 27 -1.471 9.542 2.774 1.00 0.00 C ATOM 0 H ILE A 27 -4.979 8.141 3.150 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.201 7.520 0.444 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.849 7.391 3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.208 9.184 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.456 9.609 1.933 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.765 6.949 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.930 5.614 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.696 6.753 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.285 10.599 2.586 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.816 9.411 3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.549 8.979 2.627 1.00 0.00 H new ATOM 413 N LYS A 28 -4.412 5.037 2.595 1.00 0.00 N ATOM 414 CA LYS A 28 -4.622 3.603 2.696 1.00 0.00 C ATOM 415 C LYS A 28 -5.945 3.236 2.019 1.00 0.00 C ATOM 416 O LYS A 28 -6.015 2.262 1.272 1.00 0.00 O ATOM 417 CB LYS A 28 -4.532 3.149 4.154 1.00 0.00 C ATOM 418 CG LYS A 28 -5.879 3.302 4.861 1.00 0.00 C ATOM 419 CD LYS A 28 -5.855 2.638 6.240 1.00 0.00 C ATOM 420 CE LYS A 28 -4.801 3.284 7.140 1.00 0.00 C ATOM 421 NZ LYS A 28 -5.442 3.925 8.311 1.00 0.00 N ATOM 0 H LYS A 28 -4.254 5.509 3.485 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.833 3.065 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.212 2.108 4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.775 3.736 4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.120 4.360 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.666 2.856 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.837 2.722 6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.644 1.574 6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.089 2.530 7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.237 4.026 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.712 4.359 8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.104 4.658 7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.960 3.209 8.858 1.00 0.00 H new ATOM 435 N LYS A 29 -6.961 4.037 2.306 1.00 0.00 N ATOM 436 CA LYS A 29 -8.277 3.808 1.735 1.00 0.00 C ATOM 437 C LYS A 29 -8.174 3.814 0.208 1.00 0.00 C ATOM 438 O LYS A 29 -8.685 2.913 -0.455 1.00 0.00 O ATOM 439 CB LYS A 29 -9.283 4.821 2.287 1.00 0.00 C ATOM 440 CG LYS A 29 -9.947 4.295 3.561 1.00 0.00 C ATOM 441 CD LYS A 29 -10.542 5.440 4.382 1.00 0.00 C ATOM 442 CE LYS A 29 -11.527 6.260 3.546 1.00 0.00 C ATOM 443 NZ LYS A 29 -12.763 5.486 3.294 1.00 0.00 N ATOM 0 H LYS A 29 -6.899 4.845 2.926 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.653 2.827 2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.777 5.763 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.044 5.030 1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.731 3.584 3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.214 3.755 4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.050 5.038 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.742 6.086 4.745 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.771 7.187 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.065 6.538 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.447 6.081 2.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.537 4.648 2.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.175 5.184 4.200 1.00 0.00 H new ATOM 457 N ASP A 30 -7.510 4.840 -0.304 1.00 0.00 N ATOM 458 CA ASP A 30 -7.333 4.974 -1.740 1.00 0.00 C ATOM 459 C ASP A 30 -6.712 3.691 -2.296 1.00 0.00 C ATOM 460 O ASP A 30 -7.252 3.087 -3.222 1.00 0.00 O ATOM 461 CB ASP A 30 -6.394 6.136 -2.073 1.00 0.00 C ATOM 462 CG ASP A 30 -7.089 7.475 -2.330 1.00 0.00 C ATOM 463 OD1 ASP A 30 -8.314 7.441 -2.573 1.00 0.00 O ATOM 464 OD2 ASP A 30 -6.377 8.502 -2.279 1.00 0.00 O ATOM 0 H ASP A 30 -7.088 5.586 0.250 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.311 5.161 -2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.689 6.261 -1.251 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.811 5.871 -2.955 1.00 0.00 H new ATOM 470 N PHE A 31 -5.588 3.312 -1.707 1.00 0.00 N ATOM 471 CA PHE A 31 -4.889 2.111 -2.131 1.00 0.00 C ATOM 472 C PHE A 31 -5.865 0.952 -2.338 1.00 0.00 C ATOM 473 O PHE A 31 -5.743 0.198 -3.301 1.00 0.00 O ATOM 474 CB PHE A 31 -3.909 1.745 -1.014 1.00 0.00 C ATOM 475 CG PHE A 31 -3.434 0.292 -1.055 1.00 0.00 C ATOM 476 CD1 PHE A 31 -4.289 -0.714 -0.728 1.00 0.00 C ATOM 477 CD2 PHE A 31 -2.155 0.005 -1.419 1.00 0.00 C ATOM 478 CE1 PHE A 31 -3.847 -2.063 -0.766 1.00 0.00 C ATOM 479 CE2 PHE A 31 -1.713 -1.344 -1.458 1.00 0.00 C ATOM 480 CZ PHE A 31 -2.568 -2.349 -1.130 1.00 0.00 C ATOM 0 H PHE A 31 -5.144 3.816 -0.939 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.378 2.293 -3.077 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.041 2.402 -1.076 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -4.384 1.934 -0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.305 -0.487 -0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.476 0.803 -1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.526 -2.862 -0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.698 -1.572 -1.748 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.231 -3.375 -1.158 1.00 0.00 H new ATOM 490 N ASP A 32 -6.812 0.847 -1.417 1.00 0.00 N ATOM 491 CA ASP A 32 -7.810 -0.208 -1.486 1.00 0.00 C ATOM 492 C ASP A 32 -8.723 0.038 -2.688 1.00 0.00 C ATOM 493 O ASP A 32 -9.032 -0.888 -3.438 1.00 0.00 O ATOM 494 CB ASP A 32 -8.679 -0.227 -0.228 1.00 0.00 C ATOM 495 CG ASP A 32 -9.998 -0.990 -0.365 1.00 0.00 C ATOM 496 OD1 ASP A 32 -10.053 -1.875 -1.246 1.00 0.00 O ATOM 497 OD2 ASP A 32 -10.922 -0.671 0.415 1.00 0.00 O ATOM 0 H ASP A 32 -6.910 1.475 -0.619 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.288 -1.161 -1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.104 -0.669 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.899 0.801 0.059 1.00 0.00 H new ATOM 503 N ALA A 33 -9.131 1.290 -2.836 1.00 0.00 N ATOM 504 CA ALA A 33 -10.002 1.669 -3.934 1.00 0.00 C ATOM 505 C ALA A 33 -9.408 1.161 -5.250 1.00 0.00 C ATOM 506 O ALA A 33 -10.019 0.342 -5.935 1.00 0.00 O ATOM 507 CB ALA A 33 -10.198 3.187 -3.931 1.00 0.00 C ATOM 0 H ALA A 33 -8.874 2.055 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.985 1.213 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.852 3.471 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.649 3.494 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.232 3.679 -4.048 1.00 0.00 H new ATOM 513 N GLU A 34 -8.226 1.668 -5.563 1.00 0.00 N ATOM 514 CA GLU A 34 -7.543 1.276 -6.785 1.00 0.00 C ATOM 515 C GLU A 34 -7.313 -0.236 -6.801 1.00 0.00 C ATOM 516 O GLU A 34 -7.840 -0.939 -7.663 1.00 0.00 O ATOM 517 CB GLU A 34 -6.222 2.033 -6.942 1.00 0.00 C ATOM 518 CG GLU A 34 -5.536 1.669 -8.259 1.00 0.00 C ATOM 519 CD GLU A 34 -6.562 1.479 -9.379 1.00 0.00 C ATOM 520 OE1 GLU A 34 -7.044 0.336 -9.520 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.841 2.484 -10.068 1.00 0.00 O ATOM 0 H GLU A 34 -7.723 2.347 -4.992 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.176 1.537 -7.633 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.408 3.107 -6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.562 1.798 -6.107 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.832 2.454 -8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.958 0.754 -8.131 1.00 0.00 H new ATOM 529 N CYS A 35 -6.526 -0.694 -5.839 1.00 0.00 N ATOM 530 CA CYS A 35 -6.220 -2.111 -5.732 1.00 0.00 C ATOM 531 C CYS A 35 -7.463 -2.903 -6.143 1.00 0.00 C ATOM 532 O CYS A 35 -7.361 -3.890 -6.871 1.00 0.00 O ATOM 533 CB CYS A 35 -5.745 -2.483 -4.326 1.00 0.00 C ATOM 534 SG CYS A 35 -5.148 -4.204 -4.148 1.00 0.00 S ATOM 0 H CYS A 35 -6.091 -0.109 -5.126 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.395 -2.359 -6.400 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.943 -1.803 -4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.566 -2.324 -3.626 1.00 0.00 H new ATOM 539 N LYS A 36 -8.606 -2.442 -5.659 1.00 0.00 N ATOM 540 CA LYS A 36 -9.868 -3.094 -5.967 1.00 0.00 C ATOM 541 C LYS A 36 -10.001 -3.248 -7.484 1.00 0.00 C ATOM 542 O LYS A 36 -9.762 -4.326 -8.026 1.00 0.00 O ATOM 543 CB LYS A 36 -11.032 -2.342 -5.320 1.00 0.00 C ATOM 544 CG LYS A 36 -11.852 -3.270 -4.421 1.00 0.00 C ATOM 545 CD LYS A 36 -10.972 -3.914 -3.349 1.00 0.00 C ATOM 546 CE LYS A 36 -11.762 -4.151 -2.060 1.00 0.00 C ATOM 547 NZ LYS A 36 -11.141 -5.233 -1.264 1.00 0.00 N ATOM 0 H LYS A 36 -8.685 -1.624 -5.055 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.892 -4.097 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.649 -1.507 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.673 -1.920 -6.095 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.655 -2.706 -3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.321 -4.046 -5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.578 -4.861 -3.718 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.116 -3.272 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.796 -3.233 -1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.792 -4.414 -2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.845 -5.975 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.342 -5.638 -1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.799 -4.847 -0.361 1.00 0.00 H new ATOM 561 N LYS A 37 -10.381 -2.153 -8.126 1.00 0.00 N ATOM 562 CA LYS A 37 -10.549 -2.151 -9.569 1.00 0.00 C ATOM 563 C LYS A 37 -9.318 -2.785 -10.221 1.00 0.00 C ATOM 564 O LYS A 37 -9.442 -3.722 -11.009 1.00 0.00 O ATOM 565 CB LYS A 37 -10.853 -0.739 -10.072 1.00 0.00 C ATOM 566 CG LYS A 37 -12.017 -0.120 -9.295 1.00 0.00 C ATOM 567 CD LYS A 37 -12.999 0.576 -10.241 1.00 0.00 C ATOM 568 CE LYS A 37 -14.235 -0.293 -10.484 1.00 0.00 C ATOM 569 NZ LYS A 37 -15.440 0.552 -10.643 1.00 0.00 N ATOM 0 H LYS A 37 -10.577 -1.261 -7.673 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.409 -2.757 -9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.967 -0.113 -9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.096 -0.772 -11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.536 -0.895 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.634 0.598 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.301 1.534 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.507 0.788 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.090 -0.901 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.373 -0.980 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.269 -0.054 -10.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.587 1.114 -9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.312 1.191 -11.454 1.00 0.00 H new ATOM 583 N LEU A 38 -8.159 -2.248 -9.870 1.00 0.00 N ATOM 584 CA LEU A 38 -6.908 -2.749 -10.411 1.00 0.00 C ATOM 585 C LEU A 38 -6.934 -4.279 -10.414 1.00 0.00 C ATOM 586 O LEU A 38 -6.617 -4.907 -11.422 1.00 0.00 O ATOM 587 CB LEU A 38 -5.719 -2.155 -9.651 1.00 0.00 C ATOM 588 CG LEU A 38 -4.690 -3.158 -9.127 1.00 0.00 C ATOM 589 CD1 LEU A 38 -3.913 -3.800 -10.277 1.00 0.00 C ATOM 590 CD2 LEU A 38 -3.761 -2.505 -8.102 1.00 0.00 C ATOM 0 H LEU A 38 -8.060 -1.470 -9.217 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.786 -2.430 -11.446 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.209 -1.451 -10.308 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.102 -1.583 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.224 -3.958 -8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.188 -4.509 -9.876 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.605 -4.323 -10.937 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.391 -3.026 -10.840 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.039 -3.240 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.232 -1.673 -8.568 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.349 -2.136 -7.261 1.00 0.00 H new ATOM 602 N PHE A 39 -7.315 -4.834 -9.273 1.00 0.00 N ATOM 603 CA PHE A 39 -7.387 -6.279 -9.131 1.00 0.00 C ATOM 604 C PHE A 39 -8.778 -6.716 -8.671 1.00 0.00 C ATOM 605 O PHE A 39 -8.915 -7.399 -7.657 1.00 0.00 O ATOM 606 CB PHE A 39 -6.363 -6.674 -8.065 1.00 0.00 C ATOM 607 CG PHE A 39 -5.004 -7.093 -8.632 1.00 0.00 C ATOM 608 CD1 PHE A 39 -4.746 -6.943 -9.958 1.00 0.00 C ATOM 609 CD2 PHE A 39 -4.055 -7.614 -7.808 1.00 0.00 C ATOM 610 CE1 PHE A 39 -3.486 -7.331 -10.484 1.00 0.00 C ATOM 611 CE2 PHE A 39 -2.795 -8.002 -8.335 1.00 0.00 C ATOM 612 CZ PHE A 39 -2.537 -7.852 -9.662 1.00 0.00 C ATOM 0 H PHE A 39 -7.577 -4.310 -8.438 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.184 -6.758 -10.089 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.218 -5.834 -7.386 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.768 -7.496 -7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.500 -6.529 -10.611 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.260 -7.732 -6.754 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.281 -7.212 -11.538 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.041 -8.416 -7.682 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.578 -8.147 -10.063 1.00 0.00 H new ATOM 622 N HIS A 40 -9.777 -6.304 -9.439 1.00 0.00 N ATOM 623 CA HIS A 40 -11.154 -6.645 -9.123 1.00 0.00 C ATOM 624 C HIS A 40 -11.370 -8.145 -9.325 1.00 0.00 C ATOM 625 O HIS A 40 -12.024 -8.797 -8.513 1.00 0.00 O ATOM 626 CB HIS A 40 -12.126 -5.789 -9.939 1.00 0.00 C ATOM 627 CG HIS A 40 -13.392 -6.509 -10.337 1.00 0.00 C ATOM 628 ND1 HIS A 40 -14.585 -6.364 -9.651 1.00 0.00 N ATOM 629 CD2 HIS A 40 -13.638 -7.382 -11.356 1.00 0.00 C ATOM 630 CE1 HIS A 40 -15.501 -7.118 -10.240 1.00 0.00 C ATOM 631 NE2 HIS A 40 -14.912 -7.749 -11.296 1.00 0.00 N ATOM 0 H HIS A 40 -9.660 -5.737 -10.279 1.00 0.00 H new ATOM 0 HA HIS A 40 -11.357 -6.423 -8.075 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -12.390 -4.904 -9.359 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -11.620 -5.441 -10.839 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -12.918 -7.718 -12.088 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -16.533 -7.216 -9.937 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.374 -8.396 -11.934 1.00 0.00 H new ATOM 640 N THR A 41 -10.809 -8.651 -10.414 1.00 0.00 N ATOM 641 CA THR A 41 -10.933 -10.062 -10.734 1.00 0.00 C ATOM 642 C THR A 41 -10.072 -10.901 -9.787 1.00 0.00 C ATOM 643 O THR A 41 -10.532 -11.908 -9.251 1.00 0.00 O ATOM 644 CB THR A 41 -10.569 -10.246 -12.208 1.00 0.00 C ATOM 645 OG1 THR A 41 -10.660 -11.653 -12.415 1.00 0.00 O ATOM 646 CG2 THR A 41 -9.102 -9.921 -12.495 1.00 0.00 C ATOM 0 H THR A 41 -10.267 -8.108 -11.086 1.00 0.00 H new ATOM 0 HA THR A 41 -11.955 -10.412 -10.590 1.00 0.00 H new ATOM 0 HB THR A 41 -11.208 -9.610 -12.821 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.441 -11.861 -13.347 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.897 -10.068 -13.555 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.900 -8.884 -12.227 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.462 -10.579 -11.907 1.00 0.00 H new ATOM 654 N ILE A 42 -8.838 -10.454 -9.608 1.00 0.00 N ATOM 655 CA ILE A 42 -7.908 -11.150 -8.735 1.00 0.00 C ATOM 656 C ILE A 42 -8.620 -11.520 -7.431 1.00 0.00 C ATOM 657 O ILE A 42 -9.381 -10.721 -6.888 1.00 0.00 O ATOM 658 CB ILE A 42 -6.640 -10.319 -8.529 1.00 0.00 C ATOM 659 CG1 ILE A 42 -5.927 -10.069 -9.859 1.00 0.00 C ATOM 660 CG2 ILE A 42 -5.718 -10.973 -7.499 1.00 0.00 C ATOM 661 CD1 ILE A 42 -5.183 -11.320 -10.327 1.00 0.00 C ATOM 0 H ILE A 42 -8.460 -9.618 -10.053 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.578 -12.081 -9.195 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.929 -9.346 -8.131 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.654 -9.770 -10.614 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.224 -9.243 -9.749 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.824 -10.362 -7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.239 -11.057 -6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.432 -11.966 -7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.685 -11.114 -11.275 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.440 -11.602 -9.581 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.892 -12.137 -10.460 1.00 0.00 H new ATOM 673 N PRO A 43 -8.339 -12.763 -6.956 1.00 0.00 N ATOM 674 CA PRO A 43 -8.943 -13.247 -5.726 1.00 0.00 C ATOM 675 C PRO A 43 -8.295 -12.596 -4.503 1.00 0.00 C ATOM 676 O PRO A 43 -8.804 -11.605 -3.982 1.00 0.00 O ATOM 677 CB PRO A 43 -8.756 -14.755 -5.764 1.00 0.00 C ATOM 678 CG PRO A 43 -7.653 -15.013 -6.777 1.00 0.00 C ATOM 679 CD PRO A 43 -7.442 -13.736 -7.573 1.00 0.00 C ATOM 0 HA PRO A 43 -10.000 -12.991 -5.647 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.482 -15.139 -4.782 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.679 -15.256 -6.056 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.732 -15.305 -6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.927 -15.834 -7.439 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.405 -13.405 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.680 -13.882 -8.627 1.00 0.00 H new ATOM 687 N PHE A 44 -7.183 -13.179 -4.080 1.00 0.00 N ATOM 688 CA PHE A 44 -6.461 -12.666 -2.929 1.00 0.00 C ATOM 689 C PHE A 44 -6.182 -11.169 -3.077 1.00 0.00 C ATOM 690 O PHE A 44 -5.862 -10.494 -2.100 1.00 0.00 O ATOM 691 CB PHE A 44 -5.130 -13.418 -2.865 1.00 0.00 C ATOM 692 CG PHE A 44 -4.528 -13.736 -4.236 1.00 0.00 C ATOM 693 CD1 PHE A 44 -3.877 -12.767 -4.934 1.00 0.00 C ATOM 694 CD2 PHE A 44 -4.646 -14.986 -4.756 1.00 0.00 C ATOM 695 CE1 PHE A 44 -3.320 -13.062 -6.206 1.00 0.00 C ATOM 696 CE2 PHE A 44 -4.088 -15.282 -6.028 1.00 0.00 C ATOM 697 CZ PHE A 44 -3.437 -14.313 -6.726 1.00 0.00 C ATOM 0 H PHE A 44 -6.765 -14.002 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.053 -12.809 -2.025 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.416 -12.824 -2.295 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.277 -14.350 -2.319 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.784 -11.774 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.164 -15.755 -4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.803 -12.293 -6.761 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.181 -16.276 -6.441 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.013 -14.537 -7.694 1.00 0.00 H new ATOM 707 N GLY A 45 -6.313 -10.695 -4.307 1.00 0.00 N ATOM 708 CA GLY A 45 -6.079 -9.290 -4.596 1.00 0.00 C ATOM 709 C GLY A 45 -6.986 -8.397 -3.748 1.00 0.00 C ATOM 710 O GLY A 45 -6.529 -7.767 -2.795 1.00 0.00 O ATOM 0 H GLY A 45 -6.578 -11.258 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.035 -9.044 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.259 -9.098 -5.654 1.00 0.00 H new ATOM 714 N THR A 46 -8.256 -8.370 -4.125 1.00 0.00 N ATOM 715 CA THR A 46 -9.232 -7.565 -3.410 1.00 0.00 C ATOM 716 C THR A 46 -9.132 -7.818 -1.904 1.00 0.00 C ATOM 717 O THR A 46 -9.334 -6.906 -1.104 1.00 0.00 O ATOM 718 CB THR A 46 -10.614 -7.874 -3.988 1.00 0.00 C ATOM 719 OG1 THR A 46 -10.772 -9.275 -3.781 1.00 0.00 O ATOM 720 CG2 THR A 46 -10.662 -7.714 -5.508 1.00 0.00 C ATOM 0 H THR A 46 -8.632 -8.893 -4.916 1.00 0.00 H new ATOM 0 HA THR A 46 -9.039 -6.500 -3.542 1.00 0.00 H new ATOM 0 HB THR A 46 -11.354 -7.217 -3.531 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.644 -9.560 -4.126 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.665 -7.945 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.409 -6.688 -5.774 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.946 -8.395 -5.968 1.00 0.00 H new ATOM 728 N ARG A 47 -8.822 -9.060 -1.565 1.00 0.00 N ATOM 729 CA ARG A 47 -8.693 -9.445 -0.169 1.00 0.00 C ATOM 730 C ARG A 47 -7.508 -8.719 0.474 1.00 0.00 C ATOM 731 O ARG A 47 -7.676 -8.002 1.460 1.00 0.00 O ATOM 732 CB ARG A 47 -8.494 -10.955 -0.029 1.00 0.00 C ATOM 733 CG ARG A 47 -9.604 -11.722 -0.750 1.00 0.00 C ATOM 734 CD ARG A 47 -10.974 -11.385 -0.161 1.00 0.00 C ATOM 735 NE ARG A 47 -11.967 -12.403 -0.573 1.00 0.00 N ATOM 736 CZ ARG A 47 -12.034 -13.638 -0.059 1.00 0.00 C ATOM 737 NH1 ARG A 47 -11.167 -14.018 0.890 1.00 0.00 N ATOM 738 NH2 ARG A 47 -12.967 -14.496 -0.494 1.00 0.00 N ATOM 0 H ARG A 47 -8.656 -9.813 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.616 -9.164 0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.525 -11.238 -0.440 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -8.484 -11.228 1.026 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -9.590 -11.476 -1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -9.423 -12.794 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -10.912 -11.345 0.926 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -11.291 -10.398 -0.498 1.00 0.00 H new ATOM 0 HE ARG A 47 -12.642 -12.148 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.456 -13.366 1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.219 -14.959 1.281 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -13.627 -14.209 -1.217 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -13.017 -15.436 -0.102 1.00 0.00 H new ATOM 752 N GLU A 48 -6.338 -8.932 -0.110 1.00 0.00 N ATOM 753 CA GLU A 48 -5.127 -8.307 0.394 1.00 0.00 C ATOM 754 C GLU A 48 -5.245 -6.784 0.319 1.00 0.00 C ATOM 755 O GLU A 48 -4.599 -6.069 1.086 1.00 0.00 O ATOM 756 CB GLU A 48 -3.897 -8.799 -0.371 1.00 0.00 C ATOM 757 CG GLU A 48 -2.852 -9.378 0.585 1.00 0.00 C ATOM 758 CD GLU A 48 -2.671 -8.478 1.809 1.00 0.00 C ATOM 759 OE1 GLU A 48 -2.580 -7.248 1.601 1.00 0.00 O ATOM 760 OE2 GLU A 48 -2.628 -9.040 2.925 1.00 0.00 O ATOM 0 H GLU A 48 -6.203 -9.528 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.003 -8.592 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.194 -9.559 -1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.461 -7.974 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.158 -10.374 0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.900 -9.488 0.066 1.00 0.00 H new ATOM 768 N CYS A 49 -6.073 -6.330 -0.610 1.00 0.00 N ATOM 769 CA CYS A 49 -6.283 -4.904 -0.794 1.00 0.00 C ATOM 770 C CYS A 49 -6.684 -4.300 0.553 1.00 0.00 C ATOM 771 O CYS A 49 -6.023 -3.391 1.052 1.00 0.00 O ATOM 772 CB CYS A 49 -7.325 -4.622 -1.878 1.00 0.00 C ATOM 773 SG CYS A 49 -6.832 -5.126 -3.566 1.00 0.00 S ATOM 0 H CYS A 49 -6.607 -6.925 -1.244 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.360 -4.439 -1.139 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.250 -5.136 -1.616 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.544 -3.554 -1.882 1.00 0.00 H new ATOM 778 N ASP A 50 -7.766 -4.829 1.106 1.00 0.00 N ATOM 779 CA ASP A 50 -8.262 -4.354 2.385 1.00 0.00 C ATOM 780 C ASP A 50 -7.423 -4.961 3.511 1.00 0.00 C ATOM 781 O ASP A 50 -7.637 -4.656 4.684 1.00 0.00 O ATOM 782 CB ASP A 50 -9.717 -4.773 2.602 1.00 0.00 C ATOM 783 CG ASP A 50 -10.423 -4.079 3.769 1.00 0.00 C ATOM 784 OD1 ASP A 50 -10.471 -2.830 3.742 1.00 0.00 O ATOM 785 OD2 ASP A 50 -10.900 -4.813 4.661 1.00 0.00 O ATOM 0 H ASP A 50 -8.313 -5.583 0.690 1.00 0.00 H new ATOM 0 HA ASP A 50 -8.195 -3.266 2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.277 -4.574 1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.748 -5.850 2.767 1.00 0.00 H new ATOM 791 N HIS A 51 -6.486 -5.810 3.116 1.00 0.00 N ATOM 792 CA HIS A 51 -5.614 -6.463 4.076 1.00 0.00 C ATOM 793 C HIS A 51 -4.233 -5.805 4.047 1.00 0.00 C ATOM 794 O HIS A 51 -3.281 -6.323 4.628 1.00 0.00 O ATOM 795 CB HIS A 51 -5.556 -7.971 3.821 1.00 0.00 C ATOM 796 CG HIS A 51 -5.677 -8.810 5.071 1.00 0.00 C ATOM 797 ND1 HIS A 51 -4.674 -8.888 6.021 1.00 0.00 N ATOM 798 CD2 HIS A 51 -6.692 -9.605 5.516 1.00 0.00 C ATOM 799 CE1 HIS A 51 -5.077 -9.697 6.989 1.00 0.00 C ATOM 800 NE2 HIS A 51 -6.328 -10.141 6.674 1.00 0.00 N ATOM 0 H HIS A 51 -6.312 -6.061 2.143 1.00 0.00 H new ATOM 0 HA HIS A 51 -6.017 -6.338 5.081 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.357 -8.244 3.134 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.615 -8.209 3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.632 -9.770 5.011 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.514 -9.959 7.873 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -6.891 -10.780 7.236 1.00 0.00 H new ATOM 809 N TYR A 52 -4.168 -4.671 3.364 1.00 0.00 N ATOM 810 CA TYR A 52 -2.920 -3.936 3.251 1.00 0.00 C ATOM 811 C TYR A 52 -3.051 -2.537 3.857 1.00 0.00 C ATOM 812 O TYR A 52 -2.281 -2.165 4.741 1.00 0.00 O ATOM 813 CB TYR A 52 -2.642 -3.806 1.752 1.00 0.00 C ATOM 814 CG TYR A 52 -1.178 -3.513 1.413 1.00 0.00 C ATOM 815 CD1 TYR A 52 -0.235 -4.515 1.506 1.00 0.00 C ATOM 816 CD2 TYR A 52 -0.802 -2.246 1.016 1.00 0.00 C ATOM 817 CE1 TYR A 52 1.142 -4.240 1.187 1.00 0.00 C ATOM 818 CE2 TYR A 52 0.575 -1.970 0.699 1.00 0.00 C ATOM 819 CZ TYR A 52 1.480 -2.981 0.799 1.00 0.00 C ATOM 820 OH TYR A 52 2.780 -2.722 0.499 1.00 0.00 O ATOM 0 H TYR A 52 -4.960 -4.244 2.883 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.120 -4.453 3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.941 -4.729 1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.265 -3.009 1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.529 -5.506 1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.541 -1.461 0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.890 -5.016 1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.883 -0.982 0.389 1.00 0.00 H new ATOM 0 HH TYR A 52 3.322 -3.519 0.677 1.00 0.00 H new ATOM 830 N VAL A 53 -4.031 -1.799 3.356 1.00 0.00 N ATOM 831 CA VAL A 53 -4.273 -0.450 3.837 1.00 0.00 C ATOM 832 C VAL A 53 -4.083 -0.413 5.356 1.00 0.00 C ATOM 833 O VAL A 53 -3.696 0.614 5.911 1.00 0.00 O ATOM 834 CB VAL A 53 -5.659 0.023 3.397 1.00 0.00 C ATOM 835 CG1 VAL A 53 -5.883 -0.248 1.907 1.00 0.00 C ATOM 836 CG2 VAL A 53 -6.756 -0.629 4.243 1.00 0.00 C ATOM 0 H VAL A 53 -4.667 -2.110 2.622 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.555 0.245 3.402 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.710 1.100 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.876 0.098 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.131 0.283 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.802 -1.318 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.731 -0.275 3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.705 -1.712 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.613 -0.364 5.291 1.00 0.00 H new ATOM 846 N ASN A 54 -4.365 -1.545 5.982 1.00 0.00 N ATOM 847 CA ASN A 54 -4.230 -1.655 7.425 1.00 0.00 C ATOM 848 C ASN A 54 -3.468 -2.937 7.766 1.00 0.00 C ATOM 849 O ASN A 54 -4.002 -3.823 8.434 1.00 0.00 O ATOM 850 CB ASN A 54 -5.599 -1.725 8.103 1.00 0.00 C ATOM 851 CG ASN A 54 -5.659 -0.795 9.316 1.00 0.00 C ATOM 852 OD1 ASN A 54 -5.322 0.376 9.251 1.00 0.00 O ATOM 853 ND2 ASN A 54 -6.105 -1.380 10.424 1.00 0.00 N ATOM 0 H ASN A 54 -4.686 -2.394 5.517 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.696 -0.774 7.781 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.376 -1.449 7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.802 -2.749 8.415 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.182 -0.844 11.288 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.371 -2.365 10.409 1.00 0.00 H new ATOM 860 N SER A 55 -2.232 -2.997 7.292 1.00 0.00 N ATOM 861 CA SER A 55 -1.392 -4.157 7.539 1.00 0.00 C ATOM 862 C SER A 55 0.051 -3.854 7.126 1.00 0.00 C ATOM 863 O SER A 55 0.990 -4.193 7.845 1.00 0.00 O ATOM 864 CB SER A 55 -1.912 -5.383 6.788 1.00 0.00 C ATOM 865 OG SER A 55 -3.296 -5.614 7.036 1.00 0.00 O ATOM 0 H SER A 55 -1.792 -2.262 6.739 1.00 0.00 H new ATOM 0 HA SER A 55 -1.420 -4.379 8.606 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.753 -5.247 5.718 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.339 -6.261 7.086 1.00 0.00 H new ATOM 0 HG SER A 55 -3.549 -5.200 7.887 1.00 0.00 H new ATOM 871 N LYS A 56 0.182 -3.220 5.971 1.00 0.00 N ATOM 872 CA LYS A 56 1.493 -2.868 5.455 1.00 0.00 C ATOM 873 C LYS A 56 1.548 -1.361 5.194 1.00 0.00 C ATOM 874 O LYS A 56 2.500 -0.865 4.595 1.00 0.00 O ATOM 875 CB LYS A 56 1.832 -3.716 4.227 1.00 0.00 C ATOM 876 CG LYS A 56 1.804 -5.208 4.567 1.00 0.00 C ATOM 877 CD LYS A 56 3.200 -5.710 4.943 1.00 0.00 C ATOM 878 CE LYS A 56 3.151 -6.571 6.207 1.00 0.00 C ATOM 879 NZ LYS A 56 3.225 -8.008 5.858 1.00 0.00 N ATOM 0 H LYS A 56 -0.599 -2.941 5.377 1.00 0.00 H new ATOM 0 HA LYS A 56 2.264 -3.093 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.120 -3.508 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.819 -3.443 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.115 -5.384 5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.428 -5.772 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.616 -6.290 4.119 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.865 -4.861 5.102 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.978 -6.308 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.230 -6.371 6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.191 -8.578 6.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.422 -8.259 5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.115 -8.198 5.354 1.00 0.00 H new ATOM 893 N VAL A 57 0.512 -0.675 5.657 1.00 0.00 N ATOM 894 CA VAL A 57 0.430 0.765 5.482 1.00 0.00 C ATOM 895 C VAL A 57 0.971 1.458 6.734 1.00 0.00 C ATOM 896 O VAL A 57 1.880 2.281 6.647 1.00 0.00 O ATOM 897 CB VAL A 57 -1.008 1.169 5.148 1.00 0.00 C ATOM 898 CG1 VAL A 57 -1.462 2.345 6.017 1.00 0.00 C ATOM 899 CG2 VAL A 57 -1.154 1.498 3.662 1.00 0.00 C ATOM 0 H VAL A 57 -0.277 -1.090 6.153 1.00 0.00 H new ATOM 0 HA VAL A 57 1.047 1.085 4.642 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.655 0.319 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.487 2.613 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.414 2.061 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.809 3.200 5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.185 1.782 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.491 2.324 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.890 0.623 3.068 1.00 0.00 H new ATOM 909 N ASP A 58 0.388 1.099 7.869 1.00 0.00 N ATOM 910 CA ASP A 58 0.801 1.677 9.137 1.00 0.00 C ATOM 911 C ASP A 58 2.328 1.729 9.195 1.00 0.00 C ATOM 912 O ASP A 58 2.905 2.738 9.600 1.00 0.00 O ATOM 913 CB ASP A 58 0.311 0.830 10.313 1.00 0.00 C ATOM 914 CG ASP A 58 -0.805 1.464 11.146 1.00 0.00 C ATOM 915 OD1 ASP A 58 -0.483 2.408 11.899 1.00 0.00 O ATOM 916 OD2 ASP A 58 -1.953 0.991 11.010 1.00 0.00 O ATOM 0 H ASP A 58 -0.366 0.416 7.937 1.00 0.00 H new ATOM 0 HA ASP A 58 0.372 2.676 9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.042 -0.127 9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.157 0.619 10.967 1.00 0.00 H new ATOM 922 N PRO A 59 2.959 0.600 8.773 1.00 0.00 N ATOM 923 CA PRO A 59 4.409 0.507 8.774 1.00 0.00 C ATOM 924 C PRO A 59 5.010 1.314 7.621 1.00 0.00 C ATOM 925 O PRO A 59 5.824 2.211 7.844 1.00 0.00 O ATOM 926 CB PRO A 59 4.709 -0.980 8.677 1.00 0.00 C ATOM 927 CG PRO A 59 3.435 -1.628 8.159 1.00 0.00 C ATOM 928 CD PRO A 59 2.310 -0.614 8.287 1.00 0.00 C ATOM 0 HA PRO A 59 4.857 0.932 9.672 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.545 -1.167 8.003 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.987 -1.387 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.557 -1.933 7.120 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.205 -2.527 8.730 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.819 -0.444 7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.544 -0.958 8.981 1.00 0.00 H new ATOM 936 N ILE A 60 4.587 0.968 6.415 1.00 0.00 N ATOM 937 CA ILE A 60 5.074 1.649 5.227 1.00 0.00 C ATOM 938 C ILE A 60 5.099 3.158 5.483 1.00 0.00 C ATOM 939 O ILE A 60 6.162 3.776 5.478 1.00 0.00 O ATOM 940 CB ILE A 60 4.250 1.247 4.003 1.00 0.00 C ATOM 941 CG1 ILE A 60 4.699 -0.113 3.462 1.00 0.00 C ATOM 942 CG2 ILE A 60 4.297 2.334 2.927 1.00 0.00 C ATOM 943 CD1 ILE A 60 3.864 -0.522 2.247 1.00 0.00 C ATOM 0 H ILE A 60 3.912 0.225 6.234 1.00 0.00 H new ATOM 0 HA ILE A 60 6.098 1.345 5.007 1.00 0.00 H new ATOM 0 HB ILE A 60 3.210 1.145 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.752 -0.069 3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.606 -0.868 4.243 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.703 2.022 2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.893 3.263 3.330 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.329 2.493 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.203 -1.491 1.882 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.814 -0.589 2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.979 0.223 1.459 1.00 0.00 H new ATOM 955 N ILE A 61 3.913 3.708 5.702 1.00 0.00 N ATOM 956 CA ILE A 61 3.784 5.131 5.960 1.00 0.00 C ATOM 957 C ILE A 61 4.735 5.529 7.092 1.00 0.00 C ATOM 958 O ILE A 61 5.159 6.680 7.175 1.00 0.00 O ATOM 959 CB ILE A 61 2.323 5.498 6.227 1.00 0.00 C ATOM 960 CG1 ILE A 61 1.397 4.847 5.198 1.00 0.00 C ATOM 961 CG2 ILE A 61 2.139 7.016 6.284 1.00 0.00 C ATOM 962 CD1 ILE A 61 0.055 5.579 5.126 1.00 0.00 C ATOM 0 H ILE A 61 3.033 3.193 5.706 1.00 0.00 H new ATOM 0 HA ILE A 61 4.077 5.705 5.081 1.00 0.00 H new ATOM 0 HB ILE A 61 2.046 5.104 7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.873 4.857 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.232 3.802 5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.091 7.249 6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.754 7.427 7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.441 7.455 5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.584 5.096 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.430 5.547 6.102 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.222 6.617 4.838 1.00 0.00 H new ATOM 974 N HIS A 62 5.041 4.553 7.934 1.00 0.00 N ATOM 975 CA HIS A 62 5.933 4.786 9.057 1.00 0.00 C ATOM 976 C HIS A 62 7.338 5.099 8.539 1.00 0.00 C ATOM 977 O HIS A 62 8.092 5.829 9.181 1.00 0.00 O ATOM 978 CB HIS A 62 5.909 3.601 10.026 1.00 0.00 C ATOM 979 CG HIS A 62 7.196 2.813 10.064 1.00 0.00 C ATOM 980 ND1 HIS A 62 7.768 2.371 11.245 1.00 0.00 N ATOM 981 CD2 HIS A 62 8.015 2.394 9.059 1.00 0.00 C ATOM 982 CE1 HIS A 62 8.881 1.715 10.949 1.00 0.00 C ATOM 983 NE2 HIS A 62 9.033 1.732 9.594 1.00 0.00 N ATOM 0 H HIS A 62 4.687 3.599 7.861 1.00 0.00 H new ATOM 0 HA HIS A 62 5.591 5.651 9.624 1.00 0.00 H new ATOM 0 HB2 HIS A 62 5.691 3.969 11.028 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.094 2.933 9.747 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.862 2.571 8.005 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.550 1.249 11.657 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.802 1.306 9.077 1.00 0.00 H new ATOM 992 N GLU A 63 7.648 4.532 7.382 1.00 0.00 N ATOM 993 CA GLU A 63 8.949 4.742 6.771 1.00 0.00 C ATOM 994 C GLU A 63 8.949 6.037 5.954 1.00 0.00 C ATOM 995 O GLU A 63 9.917 6.794 5.986 1.00 0.00 O ATOM 996 CB GLU A 63 9.346 3.547 5.903 1.00 0.00 C ATOM 997 CG GLU A 63 10.128 2.514 6.718 1.00 0.00 C ATOM 998 CD GLU A 63 9.348 1.204 6.835 1.00 0.00 C ATOM 999 OE1 GLU A 63 8.351 1.068 6.094 1.00 0.00 O ATOM 1000 OE2 GLU A 63 9.766 0.366 7.664 1.00 0.00 O ATOM 0 H GLU A 63 7.020 3.927 6.852 1.00 0.00 H new ATOM 0 HA GLU A 63 9.691 4.835 7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.452 3.084 5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.952 3.888 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.092 2.326 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.333 2.910 7.713 1.00 0.00 H new ATOM 1008 N LEU A 64 7.852 6.250 5.242 1.00 0.00 N ATOM 1009 CA LEU A 64 7.714 7.439 4.419 1.00 0.00 C ATOM 1010 C LEU A 64 7.747 8.680 5.313 1.00 0.00 C ATOM 1011 O LEU A 64 8.382 9.677 4.974 1.00 0.00 O ATOM 1012 CB LEU A 64 6.461 7.343 3.546 1.00 0.00 C ATOM 1013 CG LEU A 64 6.406 6.158 2.580 1.00 0.00 C ATOM 1014 CD1 LEU A 64 4.959 5.763 2.277 1.00 0.00 C ATOM 1015 CD2 LEU A 64 7.198 6.452 1.304 1.00 0.00 C ATOM 0 H LEU A 64 7.051 5.619 5.218 1.00 0.00 H new ATOM 0 HA LEU A 64 8.552 7.523 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.590 7.294 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.374 8.263 2.967 1.00 0.00 H new ATOM 0 HG LEU A 64 6.879 5.303 3.063 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.949 4.918 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.457 5.482 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.439 6.607 1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.142 5.593 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.777 7.326 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.240 6.646 1.559 1.00 0.00 H new ATOM 1027 N GLU A 65 7.054 8.578 6.438 1.00 0.00 N ATOM 1028 CA GLU A 65 6.996 9.680 7.383 1.00 0.00 C ATOM 1029 C GLU A 65 8.383 9.951 7.968 1.00 0.00 C ATOM 1030 O GLU A 65 8.750 11.102 8.198 1.00 0.00 O ATOM 1031 CB GLU A 65 5.979 9.398 8.491 1.00 0.00 C ATOM 1032 CG GLU A 65 4.556 9.705 8.021 1.00 0.00 C ATOM 1033 CD GLU A 65 3.523 9.168 9.013 1.00 0.00 C ATOM 1034 OE1 GLU A 65 3.459 7.928 9.151 1.00 0.00 O ATOM 1035 OE2 GLU A 65 2.819 10.012 9.611 1.00 0.00 O ATOM 0 H GLU A 65 6.528 7.749 6.716 1.00 0.00 H new ATOM 0 HA GLU A 65 6.667 10.573 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.048 8.354 8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.214 10.002 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.431 10.782 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.389 9.260 7.040 1.00 0.00 H new ATOM 1043 N GLY A 66 9.118 8.871 8.191 1.00 0.00 N ATOM 1044 CA GLY A 66 10.456 8.979 8.746 1.00 0.00 C ATOM 1045 C GLY A 66 11.363 9.805 7.832 1.00 0.00 C ATOM 1046 O GLY A 66 12.159 10.614 8.308 1.00 0.00 O ATOM 0 H GLY A 66 8.812 7.917 7.997 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.409 9.442 9.732 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.879 7.984 8.881 1.00 0.00 H new ATOM 1050 N GLY A 67 11.213 9.575 6.537 1.00 0.00 N ATOM 1051 CA GLY A 67 12.008 10.289 5.552 1.00 0.00 C ATOM 1052 C GLY A 67 12.356 9.384 4.368 1.00 0.00 C ATOM 1053 O GLY A 67 12.820 9.861 3.333 1.00 0.00 O ATOM 0 H GLY A 67 10.552 8.904 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.458 11.161 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.924 10.656 6.015 1.00 0.00 H new ATOM 1057 N THR A 68 12.118 8.094 4.560 1.00 0.00 N ATOM 1058 CA THR A 68 12.402 7.119 3.520 1.00 0.00 C ATOM 1059 C THR A 68 11.613 7.448 2.251 1.00 0.00 C ATOM 1060 O THR A 68 10.667 8.234 2.290 1.00 0.00 O ATOM 1061 CB THR A 68 12.097 5.729 4.081 1.00 0.00 C ATOM 1062 OG1 THR A 68 13.167 5.478 4.988 1.00 0.00 O ATOM 1063 CG2 THR A 68 12.237 4.629 3.028 1.00 0.00 C ATOM 0 H THR A 68 11.732 7.702 5.419 1.00 0.00 H new ATOM 0 HA THR A 68 13.452 7.145 3.228 1.00 0.00 H new ATOM 0 HB THR A 68 11.086 5.716 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.047 4.596 5.399 1.00 0.00 H new ATOM 0 HG21 THR A 68 12.010 3.663 3.479 1.00 0.00 H new ATOM 0 HG22 THR A 68 11.544 4.819 2.209 1.00 0.00 H new ATOM 0 HG23 THR A 68 13.258 4.620 2.645 1.00 0.00 H new ATOM 1071 N ALA A 69 12.031 6.830 1.156 1.00 0.00 N ATOM 1072 CA ALA A 69 11.376 7.047 -0.122 1.00 0.00 C ATOM 1073 C ALA A 69 10.340 5.945 -0.354 1.00 0.00 C ATOM 1074 O ALA A 69 10.245 5.003 0.432 1.00 0.00 O ATOM 1075 CB ALA A 69 12.426 7.101 -1.233 1.00 0.00 C ATOM 0 H ALA A 69 12.816 6.179 1.128 1.00 0.00 H new ATOM 0 HA ALA A 69 10.849 8.001 -0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.933 7.264 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.120 7.919 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.974 6.159 -1.262 1.00 0.00 H new ATOM 1081 N PRO A 70 9.570 6.103 -1.464 1.00 0.00 N ATOM 1082 CA PRO A 70 8.546 5.132 -1.808 1.00 0.00 C ATOM 1083 C PRO A 70 9.168 3.856 -2.379 1.00 0.00 C ATOM 1084 O PRO A 70 8.527 2.807 -2.406 1.00 0.00 O ATOM 1085 CB PRO A 70 7.643 5.848 -2.800 1.00 0.00 C ATOM 1086 CG PRO A 70 8.452 7.022 -3.327 1.00 0.00 C ATOM 1087 CD PRO A 70 9.655 7.206 -2.416 1.00 0.00 C ATOM 0 HA PRO A 70 7.977 4.796 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.348 5.182 -3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.727 6.190 -2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 70 8.774 6.834 -4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.845 7.927 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.587 7.172 -2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.624 8.170 -1.909 1.00 0.00 H new ATOM 1095 N LYS A 71 10.411 3.989 -2.820 1.00 0.00 N ATOM 1096 CA LYS A 71 11.127 2.860 -3.389 1.00 0.00 C ATOM 1097 C LYS A 71 12.200 2.394 -2.403 1.00 0.00 C ATOM 1098 O LYS A 71 13.341 2.147 -2.792 1.00 0.00 O ATOM 1099 CB LYS A 71 11.676 3.215 -4.772 1.00 0.00 C ATOM 1100 CG LYS A 71 10.571 3.165 -5.829 1.00 0.00 C ATOM 1101 CD LYS A 71 9.747 4.454 -5.825 1.00 0.00 C ATOM 1102 CE LYS A 71 10.533 5.609 -6.448 1.00 0.00 C ATOM 1103 NZ LYS A 71 10.542 5.495 -7.923 1.00 0.00 N ATOM 0 H LYS A 71 10.940 4.861 -2.795 1.00 0.00 H new ATOM 0 HA LYS A 71 10.450 2.020 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.116 4.212 -4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.473 2.521 -5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.012 3.015 -6.814 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.919 2.312 -5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.821 4.299 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.469 4.709 -4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.088 6.560 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.556 5.605 -6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.960 6.353 -8.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.105 4.667 -8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.567 5.385 -8.269 1.00 0.00 H new ATOM 1117 N ASP A 72 11.796 2.286 -1.145 1.00 0.00 N ATOM 1118 CA ASP A 72 12.709 1.854 -0.101 1.00 0.00 C ATOM 1119 C ASP A 72 11.904 1.412 1.122 1.00 0.00 C ATOM 1120 O ASP A 72 12.198 0.378 1.723 1.00 0.00 O ATOM 1121 CB ASP A 72 13.634 2.994 0.329 1.00 0.00 C ATOM 1122 CG ASP A 72 14.667 3.419 -0.717 1.00 0.00 C ATOM 1123 OD1 ASP A 72 15.535 2.577 -1.031 1.00 0.00 O ATOM 1124 OD2 ASP A 72 14.564 4.576 -1.179 1.00 0.00 O ATOM 0 H ASP A 72 10.849 2.490 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 72 13.308 1.033 -0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.023 3.859 0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.160 2.693 1.235 1.00 0.00 H new ATOM 1130 N VAL A 73 10.904 2.213 1.455 1.00 0.00 N ATOM 1131 CA VAL A 73 10.055 1.917 2.596 1.00 0.00 C ATOM 1132 C VAL A 73 9.838 0.406 2.687 1.00 0.00 C ATOM 1133 O VAL A 73 10.511 -0.276 3.459 1.00 0.00 O ATOM 1134 CB VAL A 73 8.746 2.703 2.493 1.00 0.00 C ATOM 1135 CG1 VAL A 73 7.628 2.011 3.274 1.00 0.00 C ATOM 1136 CG2 VAL A 73 8.934 4.146 2.966 1.00 0.00 C ATOM 0 H VAL A 73 10.662 3.068 0.954 1.00 0.00 H new ATOM 0 HA VAL A 73 10.537 2.233 3.521 1.00 0.00 H new ATOM 0 HB VAL A 73 8.454 2.730 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.709 2.590 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.468 1.011 2.871 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.909 1.938 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.989 4.682 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.262 4.148 4.006 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.685 4.637 2.347 1.00 0.00 H new ATOM 1146 N CYS A 74 8.898 -0.075 1.886 1.00 0.00 N ATOM 1147 CA CYS A 74 8.585 -1.493 1.866 1.00 0.00 C ATOM 1148 C CYS A 74 9.883 -2.275 2.083 1.00 0.00 C ATOM 1149 O CYS A 74 9.983 -3.071 3.014 1.00 0.00 O ATOM 1150 CB CYS A 74 7.885 -1.899 0.568 1.00 0.00 C ATOM 1151 SG CYS A 74 8.223 -0.807 -0.861 1.00 0.00 S ATOM 0 H CYS A 74 8.343 0.493 1.246 1.00 0.00 H new ATOM 0 HA CYS A 74 7.884 -1.725 2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.187 -2.914 0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.809 -1.922 0.744 1.00 0.00 H new ATOM 1156 N THR A 75 10.843 -2.019 1.206 1.00 0.00 N ATOM 1157 CA THR A 75 12.130 -2.689 1.290 1.00 0.00 C ATOM 1158 C THR A 75 12.602 -2.757 2.745 1.00 0.00 C ATOM 1159 O THR A 75 12.970 -3.824 3.231 1.00 0.00 O ATOM 1160 CB THR A 75 13.106 -1.955 0.368 1.00 0.00 C ATOM 1161 OG1 THR A 75 12.281 -1.452 -0.679 1.00 0.00 O ATOM 1162 CG2 THR A 75 14.070 -2.907 -0.341 1.00 0.00 C ATOM 0 H THR A 75 10.756 -1.358 0.434 1.00 0.00 H new ATOM 0 HA THR A 75 12.060 -3.724 0.955 1.00 0.00 H new ATOM 0 HB THR A 75 13.675 -1.228 0.947 1.00 0.00 H new ATOM 0 HG1 THR A 75 12.833 -0.960 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 75 14.740 -2.335 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.654 -3.452 0.400 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.503 -3.614 -0.947 1.00 0.00 H new ATOM 1170 N LYS A 76 12.577 -1.603 3.395 1.00 0.00 N ATOM 1171 CA LYS A 76 12.998 -1.518 4.783 1.00 0.00 C ATOM 1172 C LYS A 76 12.483 -2.742 5.544 1.00 0.00 C ATOM 1173 O LYS A 76 13.269 -3.504 6.105 1.00 0.00 O ATOM 1174 CB LYS A 76 12.561 -0.186 5.396 1.00 0.00 C ATOM 1175 CG LYS A 76 13.335 0.106 6.682 1.00 0.00 C ATOM 1176 CD LYS A 76 13.819 1.557 6.713 1.00 0.00 C ATOM 1177 CE LYS A 76 15.062 1.702 7.593 1.00 0.00 C ATOM 1178 NZ LYS A 76 16.257 1.977 6.762 1.00 0.00 N ATOM 0 H LYS A 76 12.272 -0.720 2.987 1.00 0.00 H new ATOM 0 HA LYS A 76 14.086 -1.533 4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.723 0.619 4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.492 -0.213 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.699 -0.087 7.546 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.189 -0.568 6.758 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.045 1.890 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.025 2.201 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.916 2.511 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.215 0.790 8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.092 2.073 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.405 1.192 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.115 2.860 6.231 1.00 0.00 H new ATOM 1192 N LEU A 77 11.167 -2.893 5.537 1.00 0.00 N ATOM 1193 CA LEU A 77 10.538 -4.011 6.219 1.00 0.00 C ATOM 1194 C LEU A 77 10.411 -5.188 5.250 1.00 0.00 C ATOM 1195 O LEU A 77 9.406 -5.897 5.257 1.00 0.00 O ATOM 1196 CB LEU A 77 9.208 -3.580 6.841 1.00 0.00 C ATOM 1197 CG LEU A 77 9.124 -2.124 7.303 1.00 0.00 C ATOM 1198 CD1 LEU A 77 7.682 -1.616 7.254 1.00 0.00 C ATOM 1199 CD2 LEU A 77 9.746 -1.952 8.690 1.00 0.00 C ATOM 0 H LEU A 77 10.519 -2.259 5.070 1.00 0.00 H new ATOM 0 HA LEU A 77 11.158 -4.347 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.416 -3.756 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.004 -4.224 7.696 1.00 0.00 H new ATOM 0 HG LEU A 77 9.704 -1.512 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.650 -0.579 7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.308 -1.680 6.232 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.059 -2.226 7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.673 -0.908 8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.214 -2.577 9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.794 -2.248 8.658 1.00 0.00 H new ATOM 1211 N ASN A 78 11.445 -5.359 4.439 1.00 0.00 N ATOM 1212 CA ASN A 78 11.462 -6.438 3.466 1.00 0.00 C ATOM 1213 C ASN A 78 10.078 -6.562 2.824 1.00 0.00 C ATOM 1214 O ASN A 78 9.686 -7.644 2.390 1.00 0.00 O ATOM 1215 CB ASN A 78 11.795 -7.776 4.131 1.00 0.00 C ATOM 1216 CG ASN A 78 13.282 -8.106 3.983 1.00 0.00 C ATOM 1217 OD1 ASN A 78 13.687 -8.902 3.152 1.00 0.00 O ATOM 1218 ND2 ASN A 78 14.069 -7.453 4.833 1.00 0.00 N ATOM 0 H ASN A 78 12.277 -4.769 4.436 1.00 0.00 H new ATOM 0 HA ASN A 78 12.223 -6.207 2.720 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.531 -7.737 5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.196 -8.568 3.682 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.077 -7.605 4.814 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.664 -6.800 5.504 1.00 0.00 H new ATOM 1225 N GLU A 79 9.378 -5.438 2.783 1.00 0.00 N ATOM 1226 CA GLU A 79 8.047 -5.407 2.201 1.00 0.00 C ATOM 1227 C GLU A 79 8.136 -5.274 0.679 1.00 0.00 C ATOM 1228 O GLU A 79 7.126 -5.372 -0.016 1.00 0.00 O ATOM 1229 CB GLU A 79 7.212 -4.274 2.803 1.00 0.00 C ATOM 1230 CG GLU A 79 5.847 -4.785 3.266 1.00 0.00 C ATOM 1231 CD GLU A 79 4.788 -4.580 2.180 1.00 0.00 C ATOM 1232 OE1 GLU A 79 4.914 -3.576 1.446 1.00 0.00 O ATOM 1233 OE2 GLU A 79 3.876 -5.431 2.109 1.00 0.00 O ATOM 0 H GLU A 79 9.707 -4.542 3.143 1.00 0.00 H new ATOM 0 HA GLU A 79 7.547 -6.347 2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.744 -3.834 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.077 -3.485 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.917 -5.844 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.548 -4.262 4.174 1.00 0.00 H new ATOM 1241 N CYS A 80 9.354 -5.053 0.207 1.00 0.00 N ATOM 1242 CA CYS A 80 9.588 -4.907 -1.220 1.00 0.00 C ATOM 1243 C CYS A 80 10.861 -5.675 -1.579 1.00 0.00 C ATOM 1244 O CYS A 80 11.934 -5.084 -1.699 1.00 0.00 O ATOM 1245 CB CYS A 80 9.673 -3.436 -1.631 1.00 0.00 C ATOM 1246 SG CYS A 80 8.218 -2.808 -2.546 1.00 0.00 S ATOM 0 H CYS A 80 10.189 -4.971 0.787 1.00 0.00 H new ATOM 0 HA CYS A 80 8.746 -5.323 -1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.810 -2.831 -0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 80 10.560 -3.297 -2.248 1.00 0.00 H new ATOM 1251 N PRO A 81 10.696 -7.015 -1.745 1.00 0.00 N ATOM 1252 CA PRO A 81 9.392 -7.635 -1.585 1.00 0.00 C ATOM 1253 C PRO A 81 9.012 -7.736 -0.106 1.00 0.00 C ATOM 1254 O PRO A 81 8.869 -8.835 0.427 1.00 0.00 O ATOM 1255 CB PRO A 81 9.515 -8.990 -2.261 1.00 0.00 C ATOM 1256 CG PRO A 81 11.005 -9.271 -2.366 1.00 0.00 C ATOM 1257 CD PRO A 81 11.745 -7.971 -2.089 1.00 0.00 C ATOM 0 HA PRO A 81 8.590 -7.052 -2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.012 -9.763 -1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.050 -8.978 -3.247 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.300 -10.038 -1.650 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.254 -9.648 -3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.458 -8.087 -1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.310 -7.643 -2.962 1.00 0.00 H new TER 1265 PRO A 81