USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 660 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 70 LYS NZ :NH3+ -152:sc= -1.23! (180deg=-4.25!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= 0.365 F(o=-7,f=-0.86) USER MOD Set 2.1: A 3 CYS SG : rot -100:sc= -11.5! USER MOD Set 2.2: A 16 CYS SG : rot 119:sc= -5.29! USER MOD Set 2.3: A 23 CYS SG : rot -91:sc= -11.9! USER MOD Set 2.4: A 44 CYS SG : rot -74:sc= -13! USER MOD Set 2.5: A 60 CYS SG : rot -41:sc= -20.9! USER MOD Set 2.6: A 62 THR OG1 : rot 57:sc= -1.62! USER MOD Set 2.7: A 65 CYS SG : rot 18:sc= -26.6! USER MOD Set 2.8: A 66 ASN : amide:sc= -11! C(o=-1e+02!,f=-1.1e+02!) USER MOD Set 3.1: A 48 CYS SG : rot -50:sc= 0.154! USER MOD Set 3.2: A 59 CYS SG : rot 129:sc= -9.27! USER MOD Set 4.1: A 29 CYS SG : rot -141:sc= -3.59! USER MOD Set 4.2: A 33 CYS SG : rot -57:sc= 1.45! USER MOD Set 5.1: A 5 THR OG1 : rot -25:sc= 1.26! USER MOD Set 5.2: A 8 THR OG1 : rot 78:sc= -1.38 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 1 ILE N :NH3+ -120:sc= -0.178 (180deg=-0.526) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -12.1! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -75:sc= -2.8 USER MOD Single : A 12 SER OG : rot 180:sc= -0.611 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.84 F(o=-5.4!,f=-1.8) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 141:sc= -1.26 (180deg=-1.71!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 137:sc= 0.6 (180deg=-1.12!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 50:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -1.03 (180deg=-1.4) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 73:sc= -0.252 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 159:sc= -0.838 (180deg=-0.993) USER MOD Single : A 68 HIS : no HE2:sc= -37! C(o=-37!,f=-44!) USER MOD Single : B 1 HIS : no HE2:sc= -1.26! C(o=-1.3!,f=-4!) USER MOD Single : B 1 HIS N :NH3+ 173:sc= -15.2! (180deg=-15.5!) USER MOD Single : B 3 TYR OH : rot 127:sc= 0.194 USER MOD Single : B 4 TYR OH : rot -113:sc= -0.368 USER MOD Single : B 6 SER OG : rot -18:sc= -2.5! USER MOD Single : B 7 SER OG : rot 63:sc= -6.48! USER MOD Single : B 12 TYR OH : rot -176:sc= 0.0741 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -6.087 6.518 12.317 1.00 0.00 N ATOM 2 CA ILE A 1 -6.631 6.667 10.979 1.00 0.00 C ATOM 3 C ILE A 1 -6.926 5.283 10.396 1.00 0.00 C ATOM 4 O ILE A 1 -6.893 4.284 11.112 1.00 0.00 O ATOM 5 CB ILE A 1 -5.699 7.514 10.110 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.331 6.846 9.962 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.584 8.939 10.658 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.553 7.442 8.787 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.706 7.001 12.999 1.00 0.00 H new ATOM 0 H2 ILE A 1 -6.028 5.508 12.557 1.00 0.00 H new ATOM 0 H3 ILE A 1 -5.136 6.938 12.354 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.576 7.209 11.012 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.133 7.586 9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.760 6.972 10.882 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.460 5.774 9.811 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.916 9.520 10.022 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.569 9.405 10.671 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.185 8.908 11.672 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.584 6.949 8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.116 7.293 7.865 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.404 8.509 8.953 1.00 0.00 H new ATOM 20 N VAL A 2 -7.211 5.270 9.101 1.00 0.00 N ATOM 21 CA VAL A 2 -7.510 4.026 8.414 1.00 0.00 C ATOM 22 C VAL A 2 -6.604 3.893 7.188 1.00 0.00 C ATOM 23 O VAL A 2 -6.136 4.894 6.647 1.00 0.00 O ATOM 24 CB VAL A 2 -8.999 3.967 8.065 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.431 2.534 7.746 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.850 4.558 9.193 1.00 0.00 C ATOM 0 H VAL A 2 -7.241 6.101 8.511 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.306 3.174 9.062 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.158 4.572 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.493 2.520 7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.858 2.162 6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.250 1.898 8.612 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.904 4.504 8.920 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.683 3.992 10.109 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.569 5.599 9.353 1.00 0.00 H new ATOM 36 N CYS A 3 -6.383 2.649 6.787 1.00 0.00 N ATOM 37 CA CYS A 3 -5.541 2.373 5.636 1.00 0.00 C ATOM 38 C CYS A 3 -6.130 1.176 4.887 1.00 0.00 C ATOM 39 O CYS A 3 -6.751 0.303 5.492 1.00 0.00 O ATOM 40 CB CYS A 3 -4.087 2.132 6.045 1.00 0.00 C ATOM 41 SG CYS A 3 -3.685 3.109 7.538 1.00 0.00 S ATOM 0 H CYS A 3 -6.773 1.822 7.239 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.525 3.241 4.976 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.927 1.072 6.241 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.420 2.410 5.229 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.044 4.186 7.192 1.00 0.00 H new ATOM 47 N HIS A 4 -5.914 1.173 3.579 1.00 0.00 N ATOM 48 CA HIS A 4 -6.416 0.097 2.741 1.00 0.00 C ATOM 49 C HIS A 4 -5.422 -1.065 2.749 1.00 0.00 C ATOM 50 O HIS A 4 -4.213 -0.853 2.832 1.00 0.00 O ATOM 51 CB HIS A 4 -6.721 0.606 1.331 1.00 0.00 C ATOM 52 CG HIS A 4 -7.373 1.969 1.297 1.00 0.00 C ATOM 53 ND1 HIS A 4 -6.934 3.153 0.784 1.00 0.00 N flip ATOM 54 CD2 HIS A 4 -8.621 2.216 1.839 1.00 0.00 C flip ATOM 55 CE1 HIS A 4 -7.865 4.074 0.997 1.00 0.00 C flip ATOM 56 NE2 HIS A 4 -8.913 3.495 1.653 1.00 0.00 N flip ATOM 0 H HIS A 4 -5.399 1.898 3.080 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.359 -0.274 3.143 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.793 0.644 0.761 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.373 -0.110 0.831 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.251 1.489 2.331 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.804 5.111 0.700 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.769 3.964 1.948 1.00 0.00 H new ATOM 65 N THR A 5 -5.968 -2.269 2.659 1.00 0.00 N ATOM 66 CA THR A 5 -5.145 -3.467 2.655 1.00 0.00 C ATOM 67 C THR A 5 -5.209 -4.154 1.290 1.00 0.00 C ATOM 68 O THR A 5 -6.266 -4.631 0.880 1.00 0.00 O ATOM 69 CB THR A 5 -5.605 -4.362 3.808 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.626 -5.170 3.233 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.325 -3.577 4.906 1.00 0.00 C ATOM 0 H THR A 5 -6.971 -2.441 2.588 1.00 0.00 H new ATOM 0 HA THR A 5 -4.094 -3.224 2.813 1.00 0.00 H new ATOM 0 HB THR A 5 -4.744 -4.877 4.235 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.025 -4.700 2.471 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.631 -4.259 5.700 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.653 -2.822 5.314 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.206 -3.090 4.487 1.00 0.00 H new ATOM 79 N THR A 6 -4.065 -4.182 0.622 1.00 0.00 N ATOM 80 CA THR A 6 -3.978 -4.802 -0.689 1.00 0.00 C ATOM 81 C THR A 6 -3.302 -6.171 -0.588 1.00 0.00 C ATOM 82 O THR A 6 -3.415 -6.991 -1.496 1.00 0.00 O ATOM 83 CB THR A 6 -3.251 -3.832 -1.624 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.821 -2.779 -0.765 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.200 -3.147 -2.610 1.00 0.00 C ATOM 0 H THR A 6 -3.190 -3.785 0.965 1.00 0.00 H new ATOM 0 HA THR A 6 -4.968 -4.993 -1.102 1.00 0.00 H new ATOM 0 HB THR A 6 -2.480 -4.369 -2.177 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.587 -2.215 -0.529 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.634 -2.470 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.692 -3.901 -3.225 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.951 -2.582 -2.059 1.00 0.00 H new ATOM 93 N ALA A 7 -2.615 -6.374 0.526 1.00 0.00 N ATOM 94 CA ALA A 7 -1.920 -7.629 0.758 1.00 0.00 C ATOM 95 C ALA A 7 -2.898 -8.648 1.344 1.00 0.00 C ATOM 96 O ALA A 7 -2.995 -9.772 0.857 1.00 0.00 O ATOM 97 CB ALA A 7 -0.716 -7.385 1.668 1.00 0.00 C ATOM 0 H ALA A 7 -2.525 -5.691 1.278 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.542 -8.037 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.195 -8.326 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.038 -6.677 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.056 -6.977 2.620 1.00 0.00 H new ATOM 103 N THR A 8 -3.598 -8.217 2.384 1.00 0.00 N ATOM 104 CA THR A 8 -4.566 -9.077 3.044 1.00 0.00 C ATOM 105 C THR A 8 -5.815 -9.236 2.176 1.00 0.00 C ATOM 106 O THR A 8 -5.803 -9.973 1.191 1.00 0.00 O ATOM 107 CB THR A 8 -4.855 -8.492 4.427 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.731 -7.084 4.239 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.765 -8.830 5.445 1.00 0.00 C ATOM 0 H THR A 8 -3.514 -7.283 2.786 1.00 0.00 H new ATOM 0 HA THR A 8 -4.173 -10.084 3.180 1.00 0.00 H new ATOM 0 HB THR A 8 -5.814 -8.864 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.537 -6.740 3.800 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.019 -8.391 6.410 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.687 -9.912 5.548 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.811 -8.428 5.104 1.00 0.00 H new ATOM 117 N SER A 9 -6.865 -8.534 2.574 1.00 0.00 N ATOM 118 CA SER A 9 -8.123 -8.588 1.847 1.00 0.00 C ATOM 119 C SER A 9 -7.936 -8.019 0.439 1.00 0.00 C ATOM 120 O SER A 9 -6.812 -7.923 -0.053 1.00 0.00 O ATOM 121 CB SER A 9 -9.221 -7.823 2.587 1.00 0.00 C ATOM 122 OG SER A 9 -8.957 -7.729 3.984 1.00 0.00 O ATOM 0 H SER A 9 -6.871 -7.924 3.391 1.00 0.00 H new ATOM 0 HA SER A 9 -8.432 -9.631 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.311 -6.821 2.167 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.178 -8.321 2.432 1.00 0.00 H new ATOM 0 HG SER A 9 -9.680 -7.232 4.421 1.00 0.00 H new ATOM 128 N PRO A 10 -9.084 -7.647 -0.188 1.00 0.00 N ATOM 129 CA PRO A 10 -9.058 -7.091 -1.530 1.00 0.00 C ATOM 130 C PRO A 10 -8.557 -5.645 -1.515 1.00 0.00 C ATOM 131 O PRO A 10 -7.598 -5.309 -2.208 1.00 0.00 O ATOM 132 CB PRO A 10 -10.486 -7.220 -2.036 1.00 0.00 C ATOM 133 CG PRO A 10 -11.351 -7.413 -0.801 1.00 0.00 C ATOM 134 CD PRO A 10 -10.433 -7.746 0.362 1.00 0.00 C ATOM 0 HA PRO A 10 -8.366 -7.615 -2.190 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.787 -6.329 -2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.584 -8.065 -2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.922 -6.509 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.071 -8.215 -0.961 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.575 -7.051 1.190 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.630 -8.746 0.748 1.00 0.00 H new ATOM 142 N ILE A 11 -9.229 -4.829 -0.717 1.00 0.00 N ATOM 143 CA ILE A 11 -8.864 -3.426 -0.602 1.00 0.00 C ATOM 144 C ILE A 11 -9.989 -2.669 0.106 1.00 0.00 C ATOM 145 O ILE A 11 -11.014 -2.364 -0.501 1.00 0.00 O ATOM 146 CB ILE A 11 -8.504 -2.852 -1.975 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.004 -2.574 -2.075 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.341 -1.610 -2.286 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.635 -2.047 -3.464 1.00 0.00 C ATOM 0 H ILE A 11 -10.024 -5.111 -0.144 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.969 -3.313 0.009 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.744 -3.598 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.714 -1.846 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.447 -3.488 -1.869 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.066 -1.222 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.399 -1.874 -2.284 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.156 -0.848 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.563 -1.857 -3.508 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.904 -2.787 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.175 -1.120 -3.657 1.00 0.00 H new ATOM 161 N SER A 12 -9.757 -2.384 1.378 1.00 0.00 N ATOM 162 CA SER A 12 -10.738 -1.667 2.177 1.00 0.00 C ATOM 163 C SER A 12 -10.040 -0.908 3.305 1.00 0.00 C ATOM 164 O SER A 12 -9.120 -1.429 3.933 1.00 0.00 O ATOM 165 CB SER A 12 -11.788 -2.622 2.748 1.00 0.00 C ATOM 166 OG SER A 12 -11.267 -3.410 3.816 1.00 0.00 O ATOM 0 H SER A 12 -8.904 -2.636 1.877 1.00 0.00 H new ATOM 0 HA SER A 12 -11.250 -0.953 1.531 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.644 -2.049 3.104 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.150 -3.278 1.956 1.00 0.00 H new ATOM 0 HG SER A 12 -11.968 -4.006 4.155 1.00 0.00 H new ATOM 172 N ALA A 13 -10.504 0.313 3.530 1.00 0.00 N ATOM 173 CA ALA A 13 -9.935 1.150 4.572 1.00 0.00 C ATOM 174 C ALA A 13 -10.451 0.682 5.935 1.00 0.00 C ATOM 175 O ALA A 13 -11.578 0.998 6.316 1.00 0.00 O ATOM 176 CB ALA A 13 -10.274 2.616 4.292 1.00 0.00 C ATOM 0 H ALA A 13 -11.268 0.742 3.008 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.849 1.063 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.847 3.244 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.860 2.907 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.357 2.742 4.276 1.00 0.00 H new ATOM 182 N VAL A 14 -9.604 -0.061 6.630 1.00 0.00 N ATOM 183 CA VAL A 14 -9.962 -0.576 7.941 1.00 0.00 C ATOM 184 C VAL A 14 -8.849 -0.239 8.935 1.00 0.00 C ATOM 185 O VAL A 14 -7.685 -0.556 8.700 1.00 0.00 O ATOM 186 CB VAL A 14 -10.252 -2.075 7.853 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.799 -2.448 6.474 1.00 0.00 C ATOM 188 CG2 VAL A 14 -9.005 -2.897 8.189 1.00 0.00 C ATOM 0 H VAL A 14 -8.670 -0.319 6.311 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.876 -0.104 8.302 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.017 -2.311 8.592 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.997 -3.519 6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.724 -1.902 6.290 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.066 -2.189 5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.240 -3.959 8.119 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.209 -2.654 7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.678 -2.664 9.202 1.00 0.00 H new ATOM 198 N THR A 15 -9.249 0.397 10.026 1.00 0.00 N ATOM 199 CA THR A 15 -8.300 0.781 11.060 1.00 0.00 C ATOM 200 C THR A 15 -7.371 -0.389 11.391 1.00 0.00 C ATOM 201 O THR A 15 -7.801 -1.542 11.407 1.00 0.00 O ATOM 202 CB THR A 15 -9.093 1.289 12.265 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.086 2.138 11.696 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.270 2.222 13.156 1.00 0.00 C ATOM 0 H THR A 15 -10.217 0.656 10.218 1.00 0.00 H new ATOM 0 HA THR A 15 -7.648 1.586 10.721 1.00 0.00 H new ATOM 0 HB THR A 15 -9.442 0.440 12.853 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.647 2.509 12.409 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.880 2.554 13.996 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.395 1.690 13.530 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.948 3.088 12.577 1.00 0.00 H new ATOM 212 N CYS A 16 -6.117 -0.052 11.648 1.00 0.00 N ATOM 213 CA CYS A 16 -5.124 -1.061 11.978 1.00 0.00 C ATOM 214 C CYS A 16 -4.976 -1.108 13.500 1.00 0.00 C ATOM 215 O CYS A 16 -5.624 -0.345 14.214 1.00 0.00 O ATOM 216 CB CYS A 16 -3.788 -0.790 11.282 1.00 0.00 C ATOM 217 SG CYS A 16 -3.386 -2.164 10.143 1.00 0.00 S ATOM 0 H CYS A 16 -5.765 0.905 11.635 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.456 -2.034 11.616 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.840 0.148 10.729 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.998 -0.679 12.024 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.314 -1.712 8.926 1.00 0.00 H new ATOM 223 N PRO A 17 -4.094 -2.035 13.962 1.00 0.00 N ATOM 224 CA PRO A 17 -3.851 -2.192 15.387 1.00 0.00 C ATOM 225 C PRO A 17 -2.986 -1.050 15.924 1.00 0.00 C ATOM 226 O PRO A 17 -2.687 -0.100 15.202 1.00 0.00 O ATOM 227 CB PRO A 17 -3.192 -3.555 15.526 1.00 0.00 C ATOM 228 CG PRO A 17 -2.668 -3.907 14.143 1.00 0.00 C ATOM 229 CD PRO A 17 -3.308 -2.954 13.145 1.00 0.00 C ATOM 0 HA PRO A 17 -4.766 -2.146 15.978 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.382 -3.525 16.255 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.907 -4.301 15.875 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.582 -3.819 14.112 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.911 -4.940 13.894 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.553 -2.422 12.565 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.937 -3.489 12.434 1.00 0.00 H new ATOM 237 N PRO A 18 -2.598 -1.185 17.221 1.00 0.00 N ATOM 238 CA PRO A 18 -1.773 -0.177 17.864 1.00 0.00 C ATOM 239 C PRO A 18 -0.324 -0.267 17.385 1.00 0.00 C ATOM 240 O PRO A 18 0.349 -1.270 17.615 1.00 0.00 O ATOM 241 CB PRO A 18 -1.924 -0.437 19.354 1.00 0.00 C ATOM 242 CG PRO A 18 -2.450 -1.857 19.478 1.00 0.00 C ATOM 243 CD PRO A 18 -2.933 -2.297 18.106 1.00 0.00 C ATOM 0 HA PRO A 18 -2.082 0.839 17.617 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.969 -0.328 19.868 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.613 0.276 19.807 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.667 -2.524 19.839 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.264 -1.901 20.201 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.442 -3.217 17.789 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.005 -2.493 18.108 1.00 0.00 H new ATOM 251 N GLY A 19 0.116 0.794 16.726 1.00 0.00 N ATOM 252 CA GLY A 19 1.475 0.847 16.212 1.00 0.00 C ATOM 253 C GLY A 19 1.560 1.751 14.979 1.00 0.00 C ATOM 254 O GLY A 19 2.328 2.709 14.960 1.00 0.00 O ATOM 0 H GLY A 19 -0.444 1.625 16.536 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.146 1.218 16.986 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.810 -0.158 15.955 1.00 0.00 H new ATOM 258 N GLU A 20 0.758 1.411 13.981 1.00 0.00 N ATOM 259 CA GLU A 20 0.733 2.179 12.746 1.00 0.00 C ATOM 260 C GLU A 20 0.171 3.578 13.003 1.00 0.00 C ATOM 261 O GLU A 20 -1.035 3.744 13.181 1.00 0.00 O ATOM 262 CB GLU A 20 -0.074 1.453 11.666 1.00 0.00 C ATOM 263 CG GLU A 20 0.524 0.078 11.366 1.00 0.00 C ATOM 264 CD GLU A 20 -0.013 -0.977 12.336 1.00 0.00 C ATOM 265 OE1 GLU A 20 -1.068 -0.769 12.954 1.00 0.00 O ATOM 266 OE2 GLU A 20 0.705 -2.044 12.436 1.00 0.00 O ATOM 0 H GLU A 20 0.121 0.615 14.001 1.00 0.00 H new ATOM 0 HA GLU A 20 1.756 2.281 12.383 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.108 1.340 11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.092 2.052 10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.287 -0.210 10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.610 0.126 11.440 1.00 0.00 H new ATOM 274 N ASN A 21 1.072 4.549 13.016 1.00 0.00 N ATOM 275 CA ASN A 21 0.682 5.929 13.248 1.00 0.00 C ATOM 276 C ASN A 21 0.241 6.560 11.925 1.00 0.00 C ATOM 277 O ASN A 21 -0.020 7.759 11.863 1.00 0.00 O ATOM 278 CB ASN A 21 1.854 6.748 13.795 1.00 0.00 C ATOM 279 CG ASN A 21 2.576 5.992 14.912 1.00 0.00 C ATOM 280 OD1 ASN A 21 1.849 5.032 15.475 1.00 0.00 O flip ATOM 281 ND2 ASN A 21 3.719 6.263 15.241 1.00 0.00 N flip ATOM 0 H ASN A 21 2.071 4.407 12.870 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.131 5.932 13.974 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.554 6.970 12.990 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.490 7.703 14.174 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.222 7.013 14.767 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.172 5.739 15.990 1.00 0.00 H new ATOM 288 N LEU A 22 0.174 5.723 10.900 1.00 0.00 N ATOM 289 CA LEU A 22 -0.231 6.183 9.583 1.00 0.00 C ATOM 290 C LEU A 22 -0.366 4.980 8.647 1.00 0.00 C ATOM 291 O LEU A 22 -0.303 3.835 9.090 1.00 0.00 O ATOM 292 CB LEU A 22 0.734 7.256 9.072 1.00 0.00 C ATOM 293 CG LEU A 22 2.143 6.777 8.720 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.432 6.972 7.230 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.190 7.462 9.601 1.00 0.00 C ATOM 0 H LEU A 22 0.394 4.728 10.955 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.209 6.662 9.629 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.297 7.718 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.815 8.035 9.831 1.00 0.00 H new ATOM 0 HG LEU A 22 2.201 5.707 8.922 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.440 6.623 7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.712 6.402 6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.350 8.029 6.979 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.183 7.104 9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.140 8.541 9.453 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.993 7.230 10.648 1.00 0.00 H new ATOM 307 N CYS A 23 -0.549 5.284 7.370 1.00 0.00 N ATOM 308 CA CYS A 23 -0.694 4.242 6.368 1.00 0.00 C ATOM 309 C CYS A 23 0.622 4.132 5.596 1.00 0.00 C ATOM 310 O CYS A 23 1.625 4.731 5.981 1.00 0.00 O ATOM 311 CB CYS A 23 -1.880 4.512 5.439 1.00 0.00 C ATOM 312 SG CYS A 23 -3.209 5.373 6.356 1.00 0.00 S ATOM 0 H CYS A 23 -0.600 6.236 7.007 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.908 3.291 6.856 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.559 5.119 4.592 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.256 3.573 5.033 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.027 4.497 6.860 1.00 0.00 H new ATOM 318 N TYR A 24 0.576 3.362 4.518 1.00 0.00 N ATOM 319 CA TYR A 24 1.752 3.165 3.688 1.00 0.00 C ATOM 320 C TYR A 24 1.383 2.492 2.364 1.00 0.00 C ATOM 321 O TYR A 24 0.274 1.985 2.211 1.00 0.00 O ATOM 322 CB TYR A 24 2.676 2.237 4.479 1.00 0.00 C ATOM 323 CG TYR A 24 2.270 0.763 4.426 1.00 0.00 C ATOM 324 CD1 TYR A 24 2.756 -0.051 3.424 1.00 0.00 C ATOM 325 CD2 TYR A 24 1.418 0.247 5.381 1.00 0.00 C ATOM 326 CE1 TYR A 24 2.375 -1.440 3.374 1.00 0.00 C ATOM 327 CE2 TYR A 24 1.035 -1.140 5.331 1.00 0.00 C ATOM 328 CZ TYR A 24 1.532 -1.914 4.331 1.00 0.00 C ATOM 329 OH TYR A 24 1.172 -3.225 4.283 1.00 0.00 O ATOM 0 H TYR A 24 -0.258 2.867 4.201 1.00 0.00 H new ATOM 0 HA TYR A 24 2.221 4.121 3.454 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.691 2.338 4.095 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.695 2.561 5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.423 0.353 2.676 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.038 0.884 6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.749 -2.089 2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.368 -1.556 6.072 1.00 0.00 H new ATOM 0 HH TYR A 24 0.568 -3.426 5.028 1.00 0.00 H new ATOM 339 N ARG A 25 2.336 2.509 1.443 1.00 0.00 N ATOM 340 CA ARG A 25 2.125 1.907 0.138 1.00 0.00 C ATOM 341 C ARG A 25 3.356 1.100 -0.280 1.00 0.00 C ATOM 342 O ARG A 25 4.338 1.665 -0.761 1.00 0.00 O ATOM 343 CB ARG A 25 1.838 2.973 -0.921 1.00 0.00 C ATOM 344 CG ARG A 25 1.049 4.141 -0.324 1.00 0.00 C ATOM 345 CD ARG A 25 1.186 5.394 -1.191 1.00 0.00 C ATOM 346 NE ARG A 25 -0.150 5.845 -1.643 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.369 6.548 -2.774 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.661 6.889 -3.580 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.603 6.900 -3.080 1.00 0.00 N ATOM 0 H ARG A 25 3.256 2.930 1.575 1.00 0.00 H new ATOM 0 HA ARG A 25 1.262 1.246 0.214 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.776 3.339 -1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.275 2.532 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.003 3.868 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.408 4.350 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.674 6.187 -0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.819 5.182 -2.053 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.955 5.610 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.613 6.615 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.487 7.420 -4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.375 6.641 -2.465 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.786 7.432 -3.931 1.00 0.00 H new ATOM 363 N LYS A 26 3.265 -0.206 -0.081 1.00 0.00 N ATOM 364 CA LYS A 26 4.359 -1.095 -0.430 1.00 0.00 C ATOM 365 C LYS A 26 4.287 -1.422 -1.923 1.00 0.00 C ATOM 366 O LYS A 26 3.222 -1.336 -2.531 1.00 0.00 O ATOM 367 CB LYS A 26 4.355 -2.331 0.471 1.00 0.00 C ATOM 368 CG LYS A 26 5.627 -2.396 1.318 1.00 0.00 C ATOM 369 CD LYS A 26 5.545 -3.526 2.346 1.00 0.00 C ATOM 370 CE LYS A 26 5.253 -2.977 3.743 1.00 0.00 C ATOM 371 NZ LYS A 26 6.148 -3.603 4.743 1.00 0.00 N ATOM 0 H LYS A 26 2.449 -0.670 0.318 1.00 0.00 H new ATOM 0 HA LYS A 26 5.317 -0.606 -0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.481 -2.308 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.274 -3.230 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.491 -2.550 0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.777 -1.445 1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.764 -4.229 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.484 -4.080 2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.389 -1.896 3.751 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.213 -3.170 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.937 -3.219 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.999 -4.632 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.138 -3.398 4.500 1.00 0.00 H new ATOM 385 N MET A 27 5.436 -1.792 -2.472 1.00 0.00 N ATOM 386 CA MET A 27 5.516 -2.133 -3.881 1.00 0.00 C ATOM 387 C MET A 27 6.608 -3.176 -4.132 1.00 0.00 C ATOM 388 O MET A 27 7.584 -3.248 -3.389 1.00 0.00 O ATOM 389 CB MET A 27 5.817 -0.873 -4.695 1.00 0.00 C ATOM 390 CG MET A 27 4.590 -0.427 -5.491 1.00 0.00 C ATOM 391 SD MET A 27 4.678 1.325 -5.819 1.00 0.00 S ATOM 392 CE MET A 27 2.995 1.630 -6.328 1.00 0.00 C ATOM 0 H MET A 27 6.318 -1.863 -1.965 1.00 0.00 H new ATOM 0 HA MET A 27 4.559 -2.555 -4.188 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.132 -0.071 -4.027 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.646 -1.065 -5.376 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.535 -0.979 -6.430 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.682 -0.656 -4.933 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.661 2.587 -5.927 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.943 1.654 -7.416 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.351 0.835 -5.952 1.00 0.00 H new ATOM 402 N TRP A 28 6.404 -3.959 -5.181 1.00 0.00 N ATOM 403 CA TRP A 28 7.357 -4.994 -5.540 1.00 0.00 C ATOM 404 C TRP A 28 6.983 -5.525 -6.925 1.00 0.00 C ATOM 405 O TRP A 28 7.282 -4.893 -7.937 1.00 0.00 O ATOM 406 CB TRP A 28 7.403 -6.090 -4.473 1.00 0.00 C ATOM 407 CG TRP A 28 6.070 -6.316 -3.755 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.917 -6.756 -4.277 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.800 -6.094 -2.355 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.926 -6.832 -3.319 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.479 -6.418 -2.113 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.640 -5.635 -1.327 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.884 -6.317 -0.851 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.031 -5.540 -0.070 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.704 -5.862 0.189 1.00 0.00 C ATOM 0 H TRP A 28 5.591 -3.897 -5.794 1.00 0.00 H new ATOM 0 HA TRP A 28 8.367 -4.587 -5.585 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.716 -7.024 -4.940 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.163 -5.833 -3.735 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.780 -7.018 -5.316 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.964 -7.136 -3.469 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.675 -5.376 -1.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.848 -6.576 -0.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.634 -5.192 0.756 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.307 -5.762 1.188 1.00 0.00 H new ATOM 426 N CYS A 29 6.333 -6.680 -6.926 1.00 0.00 N ATOM 427 CA CYS A 29 5.914 -7.302 -8.170 1.00 0.00 C ATOM 428 C CYS A 29 5.092 -8.546 -7.832 1.00 0.00 C ATOM 429 O CYS A 29 5.582 -9.460 -7.170 1.00 0.00 O ATOM 430 CB CYS A 29 7.110 -7.635 -9.066 1.00 0.00 C ATOM 431 SG CYS A 29 7.066 -6.603 -10.576 1.00 0.00 S ATOM 0 H CYS A 29 6.086 -7.201 -6.085 1.00 0.00 H new ATOM 0 HA CYS A 29 5.299 -6.605 -8.739 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.040 -7.462 -8.524 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.090 -8.691 -9.336 1.00 0.00 H new ATOM 0 HG CYS A 29 7.447 -7.312 -11.597 1.00 0.00 H new ATOM 437 N ASP A 30 3.852 -8.542 -8.300 1.00 0.00 N ATOM 438 CA ASP A 30 2.954 -9.658 -8.055 1.00 0.00 C ATOM 439 C ASP A 30 3.666 -10.965 -8.413 1.00 0.00 C ATOM 440 O ASP A 30 4.809 -10.951 -8.867 1.00 0.00 O ATOM 441 CB ASP A 30 1.695 -9.554 -8.918 1.00 0.00 C ATOM 442 CG ASP A 30 0.586 -10.545 -8.566 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.501 -11.032 -7.428 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.228 -10.818 -9.527 1.00 0.00 O ATOM 0 H ASP A 30 3.448 -7.783 -8.848 1.00 0.00 H new ATOM 0 HA ASP A 30 2.671 -9.639 -7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.298 -8.542 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.975 -9.701 -9.961 1.00 0.00 H new ATOM 450 N ALA A 31 2.959 -12.065 -8.193 1.00 0.00 N ATOM 451 CA ALA A 31 3.508 -13.378 -8.486 1.00 0.00 C ATOM 452 C ALA A 31 3.557 -13.580 -10.002 1.00 0.00 C ATOM 453 O ALA A 31 3.998 -14.623 -10.479 1.00 0.00 O ATOM 454 CB ALA A 31 2.674 -14.450 -7.781 1.00 0.00 C ATOM 0 H ALA A 31 2.011 -12.073 -7.816 1.00 0.00 H new ATOM 0 HA ALA A 31 4.528 -13.459 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.086 -15.435 -8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.697 -14.279 -6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.644 -14.401 -8.134 1.00 0.00 H new ATOM 460 N PHE A 32 3.095 -12.563 -10.717 1.00 0.00 N ATOM 461 CA PHE A 32 3.079 -12.617 -12.169 1.00 0.00 C ATOM 462 C PHE A 32 3.931 -11.493 -12.767 1.00 0.00 C ATOM 463 O PHE A 32 4.213 -11.496 -13.964 1.00 0.00 O ATOM 464 CB PHE A 32 1.626 -12.427 -12.608 1.00 0.00 C ATOM 465 CG PHE A 32 0.726 -13.627 -12.308 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.578 -14.064 -11.029 1.00 0.00 C ATOM 467 CD2 PHE A 32 0.069 -14.255 -13.321 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.258 -15.179 -10.751 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.766 -15.369 -13.042 1.00 0.00 C ATOM 470 CZ PHE A 32 -0.912 -15.806 -11.764 1.00 0.00 C ATOM 0 H PHE A 32 2.730 -11.698 -10.318 1.00 0.00 H new ATOM 0 HA PHE A 32 3.486 -13.569 -12.511 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.219 -11.547 -12.111 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.604 -12.227 -13.679 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.096 -13.564 -10.224 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.183 -13.906 -14.337 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.374 -15.528 -9.735 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.285 -15.869 -13.846 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.548 -16.653 -11.553 1.00 0.00 H new ATOM 480 N CYS A 33 4.315 -10.562 -11.907 1.00 0.00 N ATOM 481 CA CYS A 33 5.127 -9.437 -12.335 1.00 0.00 C ATOM 482 C CYS A 33 4.685 -9.035 -13.744 1.00 0.00 C ATOM 483 O CYS A 33 5.483 -9.055 -14.679 1.00 0.00 O ATOM 484 CB CYS A 33 6.620 -9.763 -12.277 1.00 0.00 C ATOM 485 SG CYS A 33 7.566 -8.547 -13.268 1.00 0.00 S ATOM 0 H CYS A 33 4.078 -10.564 -10.915 1.00 0.00 H new ATOM 0 HA CYS A 33 4.979 -8.598 -11.655 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.964 -9.748 -11.243 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.796 -10.769 -12.657 1.00 0.00 H new ATOM 0 HG CYS A 33 7.127 -8.549 -14.492 1.00 0.00 H new ATOM 491 N SER A 34 3.413 -8.676 -13.849 1.00 0.00 N ATOM 492 CA SER A 34 2.855 -8.270 -15.128 1.00 0.00 C ATOM 493 C SER A 34 3.547 -6.997 -15.621 1.00 0.00 C ATOM 494 O SER A 34 4.377 -6.425 -14.915 1.00 0.00 O ATOM 495 CB SER A 34 1.346 -8.045 -15.024 1.00 0.00 C ATOM 496 OG SER A 34 0.649 -9.244 -14.690 1.00 0.00 O ATOM 0 H SER A 34 2.754 -8.658 -13.070 1.00 0.00 H new ATOM 0 HA SER A 34 3.028 -9.072 -15.846 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.144 -7.286 -14.269 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.971 -7.659 -15.972 1.00 0.00 H new ATOM 0 HG SER A 34 -0.311 -9.058 -14.631 1.00 0.00 H new ATOM 502 N SER A 35 3.181 -6.592 -16.827 1.00 0.00 N ATOM 503 CA SER A 35 3.758 -5.398 -17.423 1.00 0.00 C ATOM 504 C SER A 35 3.268 -4.154 -16.678 1.00 0.00 C ATOM 505 O SER A 35 3.709 -3.042 -16.964 1.00 0.00 O ATOM 506 CB SER A 35 3.408 -5.300 -18.908 1.00 0.00 C ATOM 507 OG SER A 35 3.744 -6.488 -19.617 1.00 0.00 O ATOM 0 H SER A 35 2.492 -7.069 -17.409 1.00 0.00 H new ATOM 0 HA SER A 35 4.843 -5.462 -17.337 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.341 -5.103 -19.016 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.935 -4.454 -19.349 1.00 0.00 H new ATOM 0 HG SER A 35 3.503 -6.385 -20.561 1.00 0.00 H new ATOM 513 N ARG A 36 2.363 -4.384 -15.739 1.00 0.00 N ATOM 514 CA ARG A 36 1.809 -3.295 -14.951 1.00 0.00 C ATOM 515 C ARG A 36 2.841 -2.791 -13.941 1.00 0.00 C ATOM 516 O ARG A 36 2.549 -1.907 -13.138 1.00 0.00 O ATOM 517 CB ARG A 36 0.550 -3.741 -14.204 1.00 0.00 C ATOM 518 CG ARG A 36 -0.400 -4.499 -15.134 1.00 0.00 C ATOM 519 CD ARG A 36 -0.994 -3.565 -16.190 1.00 0.00 C ATOM 520 NE ARG A 36 -2.354 -3.142 -15.785 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.318 -2.769 -16.652 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.083 -2.763 -17.980 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.499 -2.411 -16.179 1.00 0.00 N ATOM 0 H ARG A 36 1.999 -5.308 -15.505 1.00 0.00 H new ATOM 0 HA ARG A 36 1.545 -2.490 -15.637 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.828 -4.378 -13.364 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.041 -2.871 -13.789 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.136 -5.312 -15.623 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.202 -4.951 -14.551 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.355 -2.691 -16.315 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.034 -4.072 -17.154 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.576 -3.132 -14.789 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.169 -3.042 -18.338 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.819 -2.479 -18.627 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.670 -2.420 -15.173 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.240 -2.126 -16.820 1.00 0.00 H new ATOM 537 N GLY A 37 4.028 -3.376 -14.015 1.00 0.00 N ATOM 538 CA GLY A 37 5.105 -2.997 -13.116 1.00 0.00 C ATOM 539 C GLY A 37 5.036 -3.792 -11.811 1.00 0.00 C ATOM 540 O GLY A 37 4.992 -5.021 -11.831 1.00 0.00 O ATOM 0 H GLY A 37 4.267 -4.109 -14.683 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.066 -3.170 -13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.044 -1.930 -12.900 1.00 0.00 H new ATOM 544 N LYS A 38 5.031 -3.059 -10.708 1.00 0.00 N ATOM 545 CA LYS A 38 4.968 -3.679 -9.396 1.00 0.00 C ATOM 546 C LYS A 38 3.517 -3.699 -8.914 1.00 0.00 C ATOM 547 O LYS A 38 2.599 -3.417 -9.684 1.00 0.00 O ATOM 548 CB LYS A 38 5.929 -2.986 -8.428 1.00 0.00 C ATOM 549 CG LYS A 38 7.124 -2.392 -9.175 1.00 0.00 C ATOM 550 CD LYS A 38 7.654 -3.367 -10.227 1.00 0.00 C ATOM 551 CE LYS A 38 9.184 -3.363 -10.258 1.00 0.00 C ATOM 552 NZ LYS A 38 9.730 -3.734 -8.933 1.00 0.00 N ATOM 0 H LYS A 38 5.070 -2.040 -10.696 1.00 0.00 H new ATOM 0 HA LYS A 38 5.300 -4.716 -9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.403 -2.197 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.279 -3.701 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.830 -1.459 -9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.916 -2.150 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.294 -4.373 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.266 -3.094 -11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.540 -4.063 -11.014 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.545 -2.375 -10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.523 -4.396 -9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.066 -2.880 -8.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.986 -4.188 -8.365 1.00 0.00 H new ATOM 566 N VAL A 39 3.352 -4.035 -7.643 1.00 0.00 N ATOM 567 CA VAL A 39 2.028 -4.095 -7.050 1.00 0.00 C ATOM 568 C VAL A 39 1.816 -2.868 -6.161 1.00 0.00 C ATOM 569 O VAL A 39 2.545 -1.883 -6.271 1.00 0.00 O ATOM 570 CB VAL A 39 1.851 -5.415 -6.297 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.373 -5.797 -6.198 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.663 -6.533 -6.954 1.00 0.00 C ATOM 0 H VAL A 39 4.115 -4.269 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 39 1.262 -4.072 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 39 2.229 -5.276 -5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.276 -6.739 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.170 -5.016 -5.665 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.042 -5.909 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.520 -7.461 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.328 -6.670 -7.982 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.720 -6.266 -6.949 1.00 0.00 H new ATOM 582 N VAL A 40 0.813 -2.966 -5.300 1.00 0.00 N ATOM 583 CA VAL A 40 0.496 -1.875 -4.394 1.00 0.00 C ATOM 584 C VAL A 40 -0.175 -2.441 -3.139 1.00 0.00 C ATOM 585 O VAL A 40 -1.392 -2.346 -2.987 1.00 0.00 O ATOM 586 CB VAL A 40 -0.362 -0.831 -5.112 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.214 0.544 -4.456 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.017 -0.768 -6.601 1.00 0.00 C ATOM 0 H VAL A 40 0.210 -3.784 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 40 1.405 -1.365 -4.076 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.405 -1.135 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.834 1.268 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.532 0.486 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.829 0.858 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.641 -0.018 -7.088 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.033 -0.499 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.196 -1.741 -7.058 1.00 0.00 H new ATOM 598 N GLU A 41 0.648 -3.014 -2.275 1.00 0.00 N ATOM 599 CA GLU A 41 0.150 -3.594 -1.039 1.00 0.00 C ATOM 600 C GLU A 41 0.190 -2.559 0.087 1.00 0.00 C ATOM 601 O GLU A 41 0.991 -2.675 1.013 1.00 0.00 O ATOM 602 CB GLU A 41 0.944 -4.846 -0.661 1.00 0.00 C ATOM 603 CG GLU A 41 1.193 -5.728 -1.887 1.00 0.00 C ATOM 604 CD GLU A 41 0.865 -7.192 -1.584 1.00 0.00 C ATOM 605 OE1 GLU A 41 1.001 -7.633 -0.434 1.00 0.00 O ATOM 606 OE2 GLU A 41 0.457 -7.879 -2.597 1.00 0.00 O ATOM 0 H GLU A 41 1.657 -3.090 -2.406 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.886 -3.894 -1.194 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.897 -4.557 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.399 -5.412 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.583 -5.380 -2.720 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.235 -5.641 -2.197 1.00 0.00 H new ATOM 614 N LEU A 42 -0.685 -1.571 -0.029 1.00 0.00 N ATOM 615 CA LEU A 42 -0.760 -0.516 0.968 1.00 0.00 C ATOM 616 C LEU A 42 -1.276 -1.100 2.284 1.00 0.00 C ATOM 617 O LEU A 42 -1.519 -2.301 2.382 1.00 0.00 O ATOM 618 CB LEU A 42 -1.593 0.655 0.445 1.00 0.00 C ATOM 619 CG LEU A 42 -1.535 0.901 -1.063 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.768 0.320 -1.760 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.351 2.388 -1.371 1.00 0.00 C ATOM 0 H LEU A 42 -1.348 -1.479 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 42 0.231 -0.108 1.168 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.633 0.489 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.267 1.562 0.953 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.663 0.381 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.703 0.508 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.814 -0.754 -1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.667 0.792 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.313 2.534 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.188 2.951 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.421 2.740 -0.924 1.00 0.00 H new ATOM 633 N GLY A 43 -1.430 -0.222 3.264 1.00 0.00 N ATOM 634 CA GLY A 43 -1.913 -0.636 4.571 1.00 0.00 C ATOM 635 C GLY A 43 -1.520 0.379 5.647 1.00 0.00 C ATOM 636 O GLY A 43 -1.451 1.578 5.379 1.00 0.00 O ATOM 0 H GLY A 43 -1.229 0.774 3.180 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.997 -0.742 4.545 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.503 -1.614 4.821 1.00 0.00 H new ATOM 640 N CYS A 44 -1.273 -0.138 6.841 1.00 0.00 N ATOM 641 CA CYS A 44 -0.890 0.709 7.958 1.00 0.00 C ATOM 642 C CYS A 44 0.564 0.395 8.322 1.00 0.00 C ATOM 643 O CYS A 44 1.049 -0.706 8.064 1.00 0.00 O ATOM 644 CB CYS A 44 -1.828 0.527 9.154 1.00 0.00 C ATOM 645 SG CYS A 44 -3.564 0.451 8.580 1.00 0.00 S ATOM 0 H CYS A 44 -1.330 -1.133 7.060 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.975 1.757 7.669 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.573 -0.387 9.691 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.703 1.353 9.854 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.960 1.640 8.236 1.00 0.00 H new ATOM 651 N ALA A 45 1.218 1.385 8.912 1.00 0.00 N ATOM 652 CA ALA A 45 2.606 1.230 9.314 1.00 0.00 C ATOM 653 C ALA A 45 2.995 2.378 10.246 1.00 0.00 C ATOM 654 O ALA A 45 2.527 3.503 10.079 1.00 0.00 O ATOM 655 CB ALA A 45 3.492 1.164 8.067 1.00 0.00 C ATOM 0 H ALA A 45 0.813 2.297 9.121 1.00 0.00 H new ATOM 0 HA ALA A 45 2.745 0.299 9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.534 1.048 8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.194 0.314 7.453 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.380 2.083 7.492 1.00 0.00 H new ATOM 661 N ALA A 46 3.848 2.055 11.207 1.00 0.00 N ATOM 662 CA ALA A 46 4.305 3.045 12.166 1.00 0.00 C ATOM 663 C ALA A 46 4.858 4.258 11.415 1.00 0.00 C ATOM 664 O ALA A 46 4.527 5.397 11.740 1.00 0.00 O ATOM 665 CB ALA A 46 5.340 2.414 13.099 1.00 0.00 C ATOM 0 H ALA A 46 4.235 1.121 11.342 1.00 0.00 H new ATOM 0 HA ALA A 46 3.477 3.390 12.785 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.683 3.158 13.818 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.888 1.576 13.630 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.188 2.058 12.514 1.00 0.00 H new ATOM 671 N THR A 47 5.692 3.972 10.426 1.00 0.00 N ATOM 672 CA THR A 47 6.297 5.026 9.628 1.00 0.00 C ATOM 673 C THR A 47 6.799 4.464 8.296 1.00 0.00 C ATOM 674 O THR A 47 6.964 3.253 8.152 1.00 0.00 O ATOM 675 CB THR A 47 7.397 5.682 10.465 1.00 0.00 C ATOM 676 OG1 THR A 47 8.168 4.584 10.945 1.00 0.00 O ATOM 677 CG2 THR A 47 6.852 6.339 11.734 1.00 0.00 C ATOM 0 H THR A 47 5.963 3.026 10.159 1.00 0.00 H new ATOM 0 HA THR A 47 5.568 5.793 9.367 1.00 0.00 H new ATOM 0 HB THR A 47 7.915 6.429 9.864 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.906 4.919 11.497 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.673 6.790 12.292 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.131 7.110 11.463 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.363 5.586 12.352 1.00 0.00 H new ATOM 685 N CYS A 48 7.028 5.369 7.358 1.00 0.00 N ATOM 686 CA CYS A 48 7.507 4.980 6.043 1.00 0.00 C ATOM 687 C CYS A 48 8.447 3.784 6.210 1.00 0.00 C ATOM 688 O CYS A 48 9.625 3.954 6.519 1.00 0.00 O ATOM 689 CB CYS A 48 8.188 6.144 5.321 1.00 0.00 C ATOM 690 SG CYS A 48 7.765 7.723 6.143 1.00 0.00 S ATOM 0 H CYS A 48 6.891 6.372 7.482 1.00 0.00 H new ATOM 0 HA CYS A 48 6.663 4.694 5.415 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.269 6.002 5.323 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.872 6.171 4.278 1.00 0.00 H new ATOM 0 HG CYS A 48 6.478 7.795 6.308 1.00 0.00 H new ATOM 696 N PRO A 49 7.876 2.569 5.991 1.00 0.00 N ATOM 697 CA PRO A 49 8.649 1.345 6.113 1.00 0.00 C ATOM 698 C PRO A 49 9.580 1.163 4.913 1.00 0.00 C ATOM 699 O PRO A 49 10.375 0.224 4.876 1.00 0.00 O ATOM 700 CB PRO A 49 7.617 0.238 6.237 1.00 0.00 C ATOM 701 CG PRO A 49 6.313 0.822 5.715 1.00 0.00 C ATOM 702 CD PRO A 49 6.484 2.330 5.621 1.00 0.00 C ATOM 0 HA PRO A 49 9.312 1.351 6.978 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.912 -0.637 5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.513 -0.085 7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.071 0.403 4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.488 0.572 6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.275 2.690 4.614 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.801 2.849 6.294 1.00 0.00 H new ATOM 710 N SER A 50 9.451 2.073 3.959 1.00 0.00 N ATOM 711 CA SER A 50 10.271 2.025 2.762 1.00 0.00 C ATOM 712 C SER A 50 11.579 1.285 3.051 1.00 0.00 C ATOM 713 O SER A 50 12.177 1.466 4.110 1.00 0.00 O ATOM 714 CB SER A 50 10.562 3.432 2.236 1.00 0.00 C ATOM 715 OG SER A 50 10.158 3.589 0.878 1.00 0.00 O ATOM 0 H SER A 50 8.790 2.849 3.991 1.00 0.00 H new ATOM 0 HA SER A 50 9.719 1.486 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.044 4.165 2.855 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.629 3.638 2.323 1.00 0.00 H new ATOM 0 HG SER A 50 9.237 3.271 0.772 1.00 0.00 H new ATOM 721 N LYS A 51 11.985 0.467 2.091 1.00 0.00 N ATOM 722 CA LYS A 51 13.210 -0.300 2.230 1.00 0.00 C ATOM 723 C LYS A 51 14.365 0.470 1.586 1.00 0.00 C ATOM 724 O LYS A 51 14.738 1.544 2.054 1.00 0.00 O ATOM 725 CB LYS A 51 13.024 -1.711 1.670 1.00 0.00 C ATOM 726 CG LYS A 51 12.462 -2.655 2.736 1.00 0.00 C ATOM 727 CD LYS A 51 13.588 -3.272 3.570 1.00 0.00 C ATOM 728 CE LYS A 51 14.218 -2.230 4.497 1.00 0.00 C ATOM 729 NZ LYS A 51 13.189 -1.620 5.369 1.00 0.00 N ATOM 0 H LYS A 51 11.487 0.319 1.213 1.00 0.00 H new ATOM 0 HA LYS A 51 13.461 -0.430 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.350 -1.680 0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.980 -2.092 1.309 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.779 -2.109 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.883 -3.445 2.258 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.196 -4.100 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.351 -3.685 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.990 -2.698 5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.706 -1.456 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.651 -1.045 6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.564 -1.016 4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.628 -2.370 5.821 1.00 0.00 H new ATOM 743 N LYS A 52 14.900 -0.111 0.522 1.00 0.00 N ATOM 744 CA LYS A 52 16.005 0.508 -0.191 1.00 0.00 C ATOM 745 C LYS A 52 16.035 -0.016 -1.629 1.00 0.00 C ATOM 746 O LYS A 52 16.058 0.768 -2.578 1.00 0.00 O ATOM 747 CB LYS A 52 17.317 0.296 0.567 1.00 0.00 C ATOM 748 CG LYS A 52 17.209 0.814 2.003 1.00 0.00 C ATOM 749 CD LYS A 52 16.871 -0.320 2.972 1.00 0.00 C ATOM 750 CE LYS A 52 16.723 0.204 4.402 1.00 0.00 C ATOM 751 NZ LYS A 52 18.051 0.464 4.999 1.00 0.00 N ATOM 0 H LYS A 52 14.589 -1.003 0.137 1.00 0.00 H new ATOM 0 HA LYS A 52 15.866 1.588 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.568 -0.765 0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.127 0.811 0.051 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.150 1.280 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.441 1.585 2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.945 -0.804 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.654 -1.077 2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.133 1.120 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.182 -0.523 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.932 0.819 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.602 -0.418 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.554 1.174 4.430 1.00 0.00 H new ATOM 765 N PRO A 53 16.033 -1.370 -1.748 1.00 0.00 N ATOM 766 CA PRO A 53 16.060 -2.006 -3.054 1.00 0.00 C ATOM 767 C PRO A 53 14.695 -1.910 -3.738 1.00 0.00 C ATOM 768 O PRO A 53 14.305 -0.841 -4.205 1.00 0.00 O ATOM 769 CB PRO A 53 16.490 -3.440 -2.784 1.00 0.00 C ATOM 770 CG PRO A 53 16.238 -3.679 -1.304 1.00 0.00 C ATOM 771 CD PRO A 53 16.007 -2.328 -0.646 1.00 0.00 C ATOM 0 HA PRO A 53 16.750 -1.521 -3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.921 -4.140 -3.395 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.542 -3.585 -3.030 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.371 -4.325 -1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.089 -4.185 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.052 -2.301 -0.121 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.781 -2.108 0.089 1.00 0.00 H new ATOM 779 N TYR A 54 14.006 -3.042 -3.775 1.00 0.00 N ATOM 780 CA TYR A 54 12.693 -3.099 -4.396 1.00 0.00 C ATOM 781 C TYR A 54 11.608 -2.631 -3.425 1.00 0.00 C ATOM 782 O TYR A 54 10.819 -1.745 -3.751 1.00 0.00 O ATOM 783 CB TYR A 54 12.454 -4.570 -4.740 1.00 0.00 C ATOM 784 CG TYR A 54 12.997 -5.550 -3.699 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.349 -5.826 -3.649 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.137 -6.159 -2.808 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.860 -6.746 -2.668 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.648 -7.081 -1.828 1.00 0.00 C ATOM 789 CZ TYR A 54 13.984 -7.329 -1.806 1.00 0.00 C ATOM 790 OH TYR A 54 14.468 -8.200 -0.880 1.00 0.00 O ATOM 0 H TYR A 54 14.332 -3.926 -3.385 1.00 0.00 H new ATOM 0 HA TYR A 54 12.654 -2.453 -5.273 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.383 -4.736 -4.856 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.916 -4.787 -5.703 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.023 -5.351 -4.347 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.079 -5.944 -2.846 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.916 -6.969 -2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.985 -7.565 -1.126 1.00 0.00 H new ATOM 0 HH TYR A 54 13.730 -8.538 -0.332 1.00 0.00 H new ATOM 800 N GLU A 55 11.603 -3.247 -2.251 1.00 0.00 N ATOM 801 CA GLU A 55 10.627 -2.904 -1.232 1.00 0.00 C ATOM 802 C GLU A 55 10.353 -1.398 -1.243 1.00 0.00 C ATOM 803 O GLU A 55 10.782 -0.679 -0.343 1.00 0.00 O ATOM 804 CB GLU A 55 11.094 -3.365 0.150 1.00 0.00 C ATOM 805 CG GLU A 55 10.649 -4.803 0.428 1.00 0.00 C ATOM 806 CD GLU A 55 10.875 -5.173 1.895 1.00 0.00 C ATOM 807 OE1 GLU A 55 11.935 -5.715 2.241 1.00 0.00 O ATOM 808 OE2 GLU A 55 9.902 -4.878 2.688 1.00 0.00 O ATOM 0 H GLU A 55 12.259 -3.981 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 55 9.696 -3.424 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.180 -3.298 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.690 -2.701 0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.594 -4.915 0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.202 -5.489 -0.213 1.00 0.00 H new ATOM 816 N GLU A 56 9.637 -0.968 -2.273 1.00 0.00 N ATOM 817 CA GLU A 56 9.302 0.439 -2.414 1.00 0.00 C ATOM 818 C GLU A 56 8.011 0.754 -1.655 1.00 0.00 C ATOM 819 O GLU A 56 6.920 0.664 -2.215 1.00 0.00 O ATOM 820 CB GLU A 56 9.180 0.828 -3.889 1.00 0.00 C ATOM 821 CG GLU A 56 10.104 2.000 -4.224 1.00 0.00 C ATOM 822 CD GLU A 56 9.512 2.865 -5.340 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.748 2.358 -6.176 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.869 4.104 -5.318 1.00 0.00 O ATOM 0 H GLU A 56 9.280 -1.569 -3.016 1.00 0.00 H new ATOM 0 HA GLU A 56 10.109 1.031 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.430 -0.028 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.148 1.098 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.263 2.608 -3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.079 1.622 -4.531 1.00 0.00 H new ATOM 832 N VAL A 57 8.179 1.119 -0.392 1.00 0.00 N ATOM 833 CA VAL A 57 7.041 1.448 0.450 1.00 0.00 C ATOM 834 C VAL A 57 6.857 2.966 0.478 1.00 0.00 C ATOM 835 O VAL A 57 7.792 3.715 0.203 1.00 0.00 O ATOM 836 CB VAL A 57 7.227 0.842 1.842 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.888 0.724 2.572 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.928 -0.516 1.759 1.00 0.00 C ATOM 0 H VAL A 57 9.086 1.194 0.068 1.00 0.00 H new ATOM 0 HA VAL A 57 6.126 1.017 0.043 1.00 0.00 H new ATOM 0 HB VAL A 57 7.864 1.514 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.049 0.290 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.443 1.713 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.217 0.084 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.048 -0.925 2.762 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.328 -1.199 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.908 -0.392 1.298 1.00 0.00 H new ATOM 848 N THR A 58 5.641 3.376 0.813 1.00 0.00 N ATOM 849 CA THR A 58 5.321 4.791 0.881 1.00 0.00 C ATOM 850 C THR A 58 4.689 5.131 2.233 1.00 0.00 C ATOM 851 O THR A 58 5.038 4.540 3.252 1.00 0.00 O ATOM 852 CB THR A 58 4.427 5.132 -0.312 1.00 0.00 C ATOM 853 OG1 THR A 58 4.899 4.282 -1.353 1.00 0.00 O ATOM 854 CG2 THR A 58 4.673 6.546 -0.844 1.00 0.00 C ATOM 0 H THR A 58 4.867 2.752 1.040 1.00 0.00 H new ATOM 0 HA THR A 58 6.220 5.403 0.816 1.00 0.00 H new ATOM 0 HB THR A 58 3.381 5.031 -0.022 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.626 3.359 -1.171 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.013 6.736 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.471 7.271 -0.056 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.710 6.638 -1.165 1.00 0.00 H new ATOM 862 N CYS A 59 3.768 6.083 2.196 1.00 0.00 N ATOM 863 CA CYS A 59 3.083 6.509 3.404 1.00 0.00 C ATOM 864 C CYS A 59 1.706 7.047 3.012 1.00 0.00 C ATOM 865 O CYS A 59 1.410 7.200 1.829 1.00 0.00 O ATOM 866 CB CYS A 59 3.900 7.544 4.183 1.00 0.00 C ATOM 867 SG CYS A 59 5.136 6.702 5.236 1.00 0.00 S ATOM 0 H CYS A 59 3.480 6.571 1.348 1.00 0.00 H new ATOM 0 HA CYS A 59 2.962 5.659 4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.401 8.220 3.490 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.238 8.152 4.800 1.00 0.00 H new ATOM 0 HG CYS A 59 6.310 7.217 5.023 1.00 0.00 H new ATOM 873 N CYS A 60 0.900 7.318 4.028 1.00 0.00 N ATOM 874 CA CYS A 60 -0.440 7.835 3.804 1.00 0.00 C ATOM 875 C CYS A 60 -1.109 8.039 5.164 1.00 0.00 C ATOM 876 O CYS A 60 -1.335 7.079 5.900 1.00 0.00 O ATOM 877 CB CYS A 60 -1.257 6.912 2.899 1.00 0.00 C ATOM 878 SG CYS A 60 -2.924 6.656 3.609 1.00 0.00 S ATOM 0 H CYS A 60 1.149 7.189 5.009 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.382 8.790 3.282 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.340 7.346 1.903 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.749 5.954 2.788 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.829 6.512 4.898 1.00 0.00 H new ATOM 884 N SER A 61 -1.407 9.296 5.458 1.00 0.00 N ATOM 885 CA SER A 61 -2.047 9.640 6.717 1.00 0.00 C ATOM 886 C SER A 61 -3.478 10.114 6.465 1.00 0.00 C ATOM 887 O SER A 61 -4.372 9.859 7.272 1.00 0.00 O ATOM 888 CB SER A 61 -1.253 10.714 7.463 1.00 0.00 C ATOM 889 OG SER A 61 -1.526 12.022 6.963 1.00 0.00 O ATOM 0 H SER A 61 -1.217 10.089 4.846 1.00 0.00 H new ATOM 0 HA SER A 61 -2.073 8.748 7.342 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.496 10.673 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.187 10.506 7.372 1.00 0.00 H new ATOM 0 HG SER A 61 -1.002 12.680 7.465 1.00 0.00 H new ATOM 895 N THR A 62 -3.653 10.798 5.343 1.00 0.00 N ATOM 896 CA THR A 62 -4.961 11.311 4.975 1.00 0.00 C ATOM 897 C THR A 62 -6.019 10.214 5.103 1.00 0.00 C ATOM 898 O THR A 62 -5.686 9.036 5.222 1.00 0.00 O ATOM 899 CB THR A 62 -4.859 11.897 3.566 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.494 11.701 3.206 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.034 13.417 3.550 1.00 0.00 C ATOM 0 H THR A 62 -2.910 11.009 4.677 1.00 0.00 H new ATOM 0 HA THR A 62 -5.279 12.105 5.650 1.00 0.00 H new ATOM 0 HB THR A 62 -5.613 11.438 2.927 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.274 10.748 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.953 13.782 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.015 13.675 3.950 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.259 13.879 4.162 1.00 0.00 H new ATOM 909 N ASP A 63 -7.273 10.640 5.073 1.00 0.00 N ATOM 910 CA ASP A 63 -8.383 9.708 5.184 1.00 0.00 C ATOM 911 C ASP A 63 -8.492 8.896 3.892 1.00 0.00 C ATOM 912 O ASP A 63 -8.982 9.393 2.880 1.00 0.00 O ATOM 913 CB ASP A 63 -9.706 10.450 5.388 1.00 0.00 C ATOM 914 CG ASP A 63 -10.118 10.647 6.849 1.00 0.00 C ATOM 915 OD1 ASP A 63 -9.683 11.601 7.512 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.931 9.759 7.309 1.00 0.00 O ATOM 0 H ASP A 63 -7.545 11.618 4.973 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.196 9.061 6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.634 11.428 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.496 9.902 4.874 1.00 0.00 H new ATOM 922 N LYS A 64 -8.026 7.657 3.970 1.00 0.00 N ATOM 923 CA LYS A 64 -8.064 6.770 2.819 1.00 0.00 C ATOM 924 C LYS A 64 -7.137 7.314 1.730 1.00 0.00 C ATOM 925 O LYS A 64 -7.546 7.461 0.578 1.00 0.00 O ATOM 926 CB LYS A 64 -9.506 6.561 2.351 1.00 0.00 C ATOM 927 CG LYS A 64 -10.359 5.947 3.464 1.00 0.00 C ATOM 928 CD LYS A 64 -11.839 5.936 3.076 1.00 0.00 C ATOM 929 CE LYS A 64 -12.637 5.000 3.986 1.00 0.00 C ATOM 930 NZ LYS A 64 -13.181 3.863 3.211 1.00 0.00 N ATOM 0 H LYS A 64 -7.621 7.247 4.812 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.694 5.781 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.934 7.515 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.518 5.910 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.024 4.929 3.665 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.225 6.514 4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.244 6.946 3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.944 5.618 2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.997 4.629 4.787 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.452 5.549 4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.401 3.077 3.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.048 4.161 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.477 3.551 2.512 1.00 0.00 H new ATOM 944 N CYS A 65 -5.908 7.600 2.133 1.00 0.00 N ATOM 945 CA CYS A 65 -4.920 8.126 1.205 1.00 0.00 C ATOM 946 C CYS A 65 -4.012 6.974 0.768 1.00 0.00 C ATOM 947 O CYS A 65 -2.855 7.193 0.412 1.00 0.00 O ATOM 948 CB CYS A 65 -4.124 9.279 1.820 1.00 0.00 C ATOM 949 SG CYS A 65 -3.791 8.937 3.586 1.00 0.00 S ATOM 0 H CYS A 65 -5.573 7.478 3.089 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.422 8.543 0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.185 9.410 1.283 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.681 10.210 1.720 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.963 7.670 3.823 1.00 0.00 H new ATOM 955 N ASN A 66 -4.570 5.774 0.810 1.00 0.00 N ATOM 956 CA ASN A 66 -3.824 4.588 0.423 1.00 0.00 C ATOM 957 C ASN A 66 -4.361 4.065 -0.911 1.00 0.00 C ATOM 958 O ASN A 66 -3.994 2.976 -1.348 1.00 0.00 O ATOM 959 CB ASN A 66 -3.979 3.476 1.462 1.00 0.00 C ATOM 960 CG ASN A 66 -2.628 3.111 2.079 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.406 2.003 2.541 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.740 4.102 2.064 1.00 0.00 N ATOM 0 H ASN A 66 -5.530 5.597 1.106 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.772 4.863 0.343 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.665 3.798 2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.419 2.595 0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.809 3.958 2.455 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.991 5.005 1.662 1.00 0.00 H new ATOM 969 N PRO A 67 -5.246 4.889 -1.536 1.00 0.00 N ATOM 970 CA PRO A 67 -5.838 4.520 -2.811 1.00 0.00 C ATOM 971 C PRO A 67 -4.828 4.681 -3.950 1.00 0.00 C ATOM 972 O PRO A 67 -4.973 5.568 -4.791 1.00 0.00 O ATOM 973 CB PRO A 67 -7.049 5.425 -2.957 1.00 0.00 C ATOM 974 CG PRO A 67 -6.829 6.577 -1.992 1.00 0.00 C ATOM 975 CD PRO A 67 -5.705 6.185 -1.047 1.00 0.00 C ATOM 0 HA PRO A 67 -6.134 3.472 -2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.145 5.786 -3.981 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.968 4.888 -2.721 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.571 7.486 -2.535 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.741 6.787 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.901 6.921 -1.061 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.058 6.118 -0.018 1.00 0.00 H new ATOM 983 N HIS A 68 -3.831 3.810 -3.942 1.00 0.00 N ATOM 984 CA HIS A 68 -2.798 3.846 -4.964 1.00 0.00 C ATOM 985 C HIS A 68 -3.424 4.197 -6.314 1.00 0.00 C ATOM 986 O HIS A 68 -4.624 4.011 -6.514 1.00 0.00 O ATOM 987 CB HIS A 68 -2.020 2.529 -4.995 1.00 0.00 C ATOM 988 CG HIS A 68 -2.893 1.303 -5.109 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.746 0.369 -6.121 1.00 0.00 N ATOM 990 CD2 HIS A 68 -3.923 0.865 -4.329 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.653 -0.581 -5.948 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.381 -0.272 -4.837 1.00 0.00 N ATOM 0 H HIS A 68 -3.716 3.075 -3.244 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.073 4.624 -4.727 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.327 2.548 -5.836 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.420 2.452 -4.088 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.057 0.406 -6.872 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.302 1.360 -3.447 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.792 -1.448 -6.577 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.562 4.712 -7.232 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.019 5.091 -8.558 1.00 0.00 C ATOM 1003 C PRO A 69 -3.261 3.856 -9.428 1.00 0.00 C ATOM 1004 O PRO A 69 -2.313 3.231 -9.903 1.00 0.00 O ATOM 1005 CB PRO A 69 -1.929 5.998 -9.105 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.695 5.723 -8.261 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.136 4.946 -7.030 1.00 0.00 C ATOM 0 HA PRO A 69 -3.978 5.609 -8.541 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.737 5.787 -10.157 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.223 7.046 -9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.038 5.152 -8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.215 6.658 -7.971 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.590 4.007 -6.937 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.953 5.513 -6.117 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.534 3.539 -9.610 1.00 0.00 N ATOM 1016 CA LYS A 70 -4.912 2.390 -10.414 1.00 0.00 C ATOM 1017 C LYS A 70 -6.376 2.529 -10.837 1.00 0.00 C ATOM 1018 O LYS A 70 -6.730 2.212 -11.973 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.610 1.090 -9.666 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.761 1.358 -8.422 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.513 2.245 -7.425 1.00 0.00 C ATOM 1022 CE LYS A 70 -5.996 1.871 -7.370 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.774 2.938 -6.702 1.00 0.00 N ATOM 0 H LYS A 70 -5.317 4.058 -9.214 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.317 2.352 -11.327 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.544 0.608 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.086 0.399 -10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.497 0.413 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.827 1.841 -8.711 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.071 2.141 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.408 3.291 -7.712 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.375 1.714 -8.380 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.121 0.931 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.615 2.524 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.184 3.397 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.070 3.644 -7.406 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.187 3.003 -9.903 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.605 3.187 -10.166 1.00 0.00 C ATOM 1039 C GLN A 71 -8.808 4.186 -11.308 1.00 0.00 C ATOM 1040 O GLN A 71 -9.335 5.277 -11.096 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.342 3.640 -8.904 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.671 2.448 -8.005 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.330 2.909 -6.703 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -9.560 2.770 -5.628 1.00 0.00 O flip ATOM 1045 NE2 GLN A 71 -11.463 3.360 -6.676 1.00 0.00 N flip ATOM 0 H GLN A 71 -6.890 3.265 -8.963 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.026 2.228 -10.469 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.728 4.355 -8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.261 4.156 -9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.337 1.764 -8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.759 1.895 -7.779 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.001 3.440 -7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.873 3.657 -5.790 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.378 3.777 -12.492 1.00 0.00 N ATOM 1055 CA ARG A 72 -8.504 4.622 -13.667 1.00 0.00 C ATOM 1056 C ARG A 72 -9.443 3.975 -14.687 1.00 0.00 C ATOM 1057 O ARG A 72 -10.477 4.545 -15.035 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.142 4.867 -14.321 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.264 4.903 -15.845 1.00 0.00 C ATOM 1060 CD ARG A 72 -8.273 5.963 -16.290 1.00 0.00 C ATOM 1061 NE ARG A 72 -9.061 5.462 -17.439 1.00 0.00 N ATOM 1062 CZ ARG A 72 -10.086 6.134 -18.005 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -10.459 7.341 -17.530 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -10.718 5.591 -19.028 1.00 0.00 N ATOM 0 H ARG A 72 -7.942 2.871 -12.663 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.915 5.578 -13.344 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.727 5.810 -13.964 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.447 4.081 -14.027 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.290 5.115 -16.286 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.574 3.924 -16.212 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.938 6.213 -15.464 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.752 6.879 -16.568 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.814 4.552 -17.827 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.965 7.752 -16.738 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.234 7.842 -17.963 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.430 4.678 -19.379 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.495 6.085 -19.468 1.00 0.00 H new ATOM 1078 N PRO A 73 -9.039 2.762 -15.151 1.00 0.00 N ATOM 1079 CA PRO A 73 -9.833 2.031 -16.125 1.00 0.00 C ATOM 1080 C PRO A 73 -11.067 1.409 -15.470 1.00 0.00 C ATOM 1081 O PRO A 73 -10.955 0.441 -14.719 1.00 0.00 O ATOM 1082 CB PRO A 73 -8.885 0.996 -16.708 1.00 0.00 C ATOM 1083 CG PRO A 73 -7.737 0.877 -15.717 1.00 0.00 C ATOM 1084 CD PRO A 73 -7.822 2.057 -14.762 1.00 0.00 C ATOM 0 HA PRO A 73 -10.232 2.673 -16.910 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.387 0.038 -16.841 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.524 1.306 -17.689 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.801 -0.063 -15.169 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.780 0.877 -16.239 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.871 1.724 -13.725 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.947 2.701 -14.849 1.00 0.00 H new ATOM 1092 N GLY A 74 -12.217 1.990 -15.779 1.00 0.00 N ATOM 1093 CA GLY A 74 -13.472 1.504 -15.229 1.00 0.00 C ATOM 1094 C GLY A 74 -13.549 -0.022 -15.304 1.00 0.00 C ATOM 1095 O GLY A 74 -14.610 -0.583 -15.576 1.00 0.00 O ATOM 0 H GLY A 74 -12.306 2.792 -16.403 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.568 1.826 -14.192 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.307 1.941 -15.777 1.00 0.00 H new TER 1099 GLY A 74 ATOM 1100 N HIS B 1 -7.100 -10.223 -10.942 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.403 -10.010 -9.538 1.00 0.00 C ATOM 1102 C HIS B 1 -6.140 -9.552 -8.804 1.00 0.00 C ATOM 1103 O HIS B 1 -5.399 -10.372 -8.265 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.027 -11.262 -8.919 1.00 0.00 C ATOM 1105 CG HIS B 1 -8.014 -11.273 -7.409 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -6.892 -11.606 -6.670 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -8.998 -10.988 -6.508 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -7.198 -11.523 -5.385 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -8.503 -11.140 -5.286 1.00 0.00 N ATOM 0 H1 HIS B 1 -7.924 -10.646 -11.415 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.873 -9.312 -11.390 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.285 -10.863 -11.028 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.146 -9.219 -9.440 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -9.057 -11.350 -9.264 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -7.493 -12.140 -9.283 1.00 0.00 H new ATOM 0 HD1 HIS B 1 -5.984 -11.870 -7.051 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -10.008 -10.690 -6.748 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -6.531 -11.723 -4.560 1.00 0.00 H new ATOM 1118 N ARG B 2 -5.934 -8.243 -8.809 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.774 -7.667 -8.151 1.00 0.00 C ATOM 1120 C ARG B 2 -4.936 -6.150 -8.021 1.00 0.00 C ATOM 1121 O ARG B 2 -5.822 -5.562 -8.639 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.492 -7.971 -8.929 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.677 -9.064 -8.237 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.428 -8.481 -7.574 1.00 0.00 C ATOM 1125 NE ARG B 2 -0.969 -9.372 -6.484 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.711 -9.685 -5.402 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -2.956 -9.184 -5.255 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.203 -10.492 -4.489 1.00 0.00 N ATOM 0 H ARG B 2 -6.550 -7.566 -9.258 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.699 -8.114 -7.160 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.743 -8.286 -9.942 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -2.892 -7.065 -9.016 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.292 -9.561 -7.487 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.387 -9.822 -8.965 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.637 -8.361 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.646 -7.490 -7.177 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.034 -9.774 -6.556 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.343 -8.563 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.510 -9.426 -4.433 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.263 -10.869 -4.608 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.751 -10.739 -3.665 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.067 -5.561 -7.212 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.104 -4.126 -6.992 1.00 0.00 C ATOM 1144 C TYR B 3 -2.814 -3.464 -7.481 1.00 0.00 C ATOM 1145 O TYR B 3 -2.202 -2.680 -6.757 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.220 -3.934 -5.479 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.481 -5.228 -4.705 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.429 -6.056 -4.372 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.768 -5.566 -4.341 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.674 -7.275 -3.644 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.013 -6.784 -3.613 1.00 0.00 C ATOM 1152 CZ TYR B 3 -4.954 -7.578 -3.300 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.186 -8.728 -2.612 1.00 0.00 O ATOM 0 H TYR B 3 -3.333 -6.052 -6.701 1.00 0.00 H new ATOM 0 HA TYR B 3 -4.935 -3.675 -7.535 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.300 -3.481 -5.109 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.027 -3.231 -5.273 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.422 -5.790 -4.657 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.591 -4.918 -4.602 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.860 -7.933 -3.378 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.016 -7.061 -3.322 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.694 -8.526 -1.798 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.438 -3.805 -8.705 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.231 -3.253 -9.298 1.00 0.00 C ATOM 1165 C TYR B 4 -1.293 -1.725 -9.346 1.00 0.00 C ATOM 1166 O TYR B 4 -2.133 -1.114 -8.687 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.181 -3.794 -10.729 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.217 -4.966 -10.917 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.649 -6.259 -10.698 1.00 0.00 C ATOM 1170 CD2 TYR B 4 1.087 -4.732 -11.303 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.258 -7.362 -10.875 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.996 -5.836 -11.480 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.536 -7.096 -11.256 1.00 0.00 C ATOM 1174 OH TYR B 4 2.393 -8.139 -11.423 1.00 0.00 O ATOM 0 H TYR B 4 -2.947 -4.456 -9.302 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.354 -3.531 -8.714 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.182 -4.110 -11.022 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -0.891 -2.987 -11.402 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.669 -6.443 -10.394 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.426 -3.721 -11.473 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.069 -8.378 -10.709 1.00 0.00 H new ATOM 0 HE2 TYR B 4 3.019 -5.667 -11.783 1.00 0.00 H new ATOM 0 HH TYR B 4 3.093 -8.100 -10.739 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.392 -1.152 -10.130 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.332 0.292 -10.272 1.00 0.00 C ATOM 1186 C GLU B 5 -0.860 0.713 -11.645 1.00 0.00 C ATOM 1187 O GLU B 5 -0.312 1.618 -12.273 1.00 0.00 O ATOM 1188 CB GLU B 5 1.091 0.807 -10.049 1.00 0.00 C ATOM 1189 CG GLU B 5 1.959 0.571 -11.287 1.00 0.00 C ATOM 1190 CD GLU B 5 2.730 1.837 -11.665 1.00 0.00 C ATOM 1191 OE1 GLU B 5 2.481 2.908 -11.093 1.00 0.00 O ATOM 1192 OE2 GLU B 5 3.618 1.679 -12.589 1.00 0.00 O ATOM 0 H GLU B 5 0.303 -1.663 -10.674 1.00 0.00 H new ATOM 0 HA GLU B 5 -0.968 0.739 -9.508 1.00 0.00 H new ATOM 0 HB2 GLU B 5 1.064 1.872 -9.817 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.533 0.304 -9.189 1.00 0.00 H new ATOM 0 HG2 GLU B 5 2.659 -0.242 -11.095 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.331 0.260 -12.122 1.00 0.00 H new ATOM 1200 N SER B 6 -1.917 0.037 -12.070 1.00 0.00 N ATOM 1201 CA SER B 6 -2.524 0.330 -13.358 1.00 0.00 C ATOM 1202 C SER B 6 -4.025 0.040 -13.307 1.00 0.00 C ATOM 1203 O SER B 6 -4.746 0.305 -14.267 1.00 0.00 O ATOM 1204 CB SER B 6 -1.864 -0.482 -14.474 1.00 0.00 C ATOM 1205 OG SER B 6 -2.633 -0.461 -15.674 1.00 0.00 O ATOM 0 H SER B 6 -2.369 -0.712 -11.546 1.00 0.00 H new ATOM 0 HA SER B 6 -2.372 1.387 -13.576 1.00 0.00 H new ATOM 0 HB2 SER B 6 -0.869 -0.083 -14.673 1.00 0.00 H new ATOM 0 HB3 SER B 6 -1.734 -1.513 -14.144 1.00 0.00 H new ATOM 0 HG SER B 6 -3.548 -0.175 -15.471 1.00 0.00 H new ATOM 1211 N SER B 7 -4.453 -0.503 -12.175 1.00 0.00 N ATOM 1212 CA SER B 7 -5.854 -0.832 -11.986 1.00 0.00 C ATOM 1213 C SER B 7 -6.105 -1.239 -10.533 1.00 0.00 C ATOM 1214 O SER B 7 -5.163 -1.493 -9.785 1.00 0.00 O ATOM 1215 CB SER B 7 -6.289 -1.952 -12.934 1.00 0.00 C ATOM 1216 OG SER B 7 -7.530 -2.532 -12.541 1.00 0.00 O ATOM 0 H SER B 7 -3.852 -0.723 -11.380 1.00 0.00 H new ATOM 0 HA SER B 7 -6.447 0.053 -12.216 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.378 -1.556 -13.946 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.520 -2.724 -12.960 1.00 0.00 H new ATOM 0 HG SER B 7 -8.236 -1.854 -12.585 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.381 -1.290 -10.178 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.768 -1.661 -8.827 1.00 0.00 C ATOM 1224 C LEU B 8 -8.795 -2.794 -8.889 1.00 0.00 C ATOM 1225 O LEU B 8 -8.984 -3.520 -7.914 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.251 -0.434 -8.051 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.223 -0.551 -6.527 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.406 -1.376 -6.018 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -6.884 -1.114 -6.045 1.00 0.00 C ATOM 0 H LEU B 8 -8.160 -1.081 -10.802 1.00 0.00 H new ATOM 0 HA LEU B 8 -6.908 -2.039 -8.274 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.638 0.419 -8.341 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.273 -0.212 -8.360 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.323 0.450 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.362 -1.443 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.339 -0.896 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.362 -2.378 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.890 -1.187 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.730 -2.104 -6.474 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.077 -0.452 -6.359 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.432 -2.908 -10.045 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.436 -3.940 -10.246 1.00 0.00 C ATOM 1243 C GLU B 9 -9.769 -5.263 -10.631 1.00 0.00 C ATOM 1244 O GLU B 9 -8.773 -5.272 -11.352 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.457 -3.513 -11.303 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.043 -2.138 -10.974 1.00 0.00 C ATOM 1247 CD GLU B 9 -13.271 -2.269 -10.071 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -13.330 -3.180 -9.232 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -14.186 -1.380 -10.263 1.00 0.00 O ATOM 0 H GLU B 9 -9.273 -2.304 -10.851 1.00 0.00 H new ATOM 0 HA GLU B 9 -10.972 -4.085 -9.308 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -10.981 -3.485 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.258 -4.250 -11.359 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.288 -1.525 -10.481 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.318 -1.625 -11.896 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.361 -6.375 -10.119 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.834 -7.699 -10.401 1.00 0.00 C ATOM 1259 C PRO B 10 -10.177 -8.133 -11.828 1.00 0.00 C ATOM 1260 O PRO B 10 -10.275 -9.325 -12.111 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.449 -8.601 -9.343 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.650 -7.845 -8.798 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.540 -6.401 -9.260 1.00 0.00 C ATOM 0 HA PRO B 10 -8.746 -7.737 -10.355 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.751 -9.557 -9.772 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.732 -8.819 -8.551 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.577 -8.291 -9.157 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.672 -7.897 -7.709 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.432 -6.090 -9.803 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.429 -5.722 -8.414 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.348 -7.140 -12.689 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.678 -7.404 -14.079 1.00 0.00 C ATOM 1273 C TRP B 11 -9.666 -6.663 -14.954 1.00 0.00 C ATOM 1274 O TRP B 11 -9.279 -7.153 -16.013 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.127 -7.015 -14.381 1.00 0.00 C ATOM 1276 CG TRP B 11 -12.855 -7.995 -15.303 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -12.817 -9.335 -15.277 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.736 -7.657 -16.395 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.606 -9.882 -16.269 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.184 -8.830 -16.970 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.143 -6.402 -16.880 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.059 -8.863 -18.061 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -15.018 -6.452 -17.972 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.478 -7.624 -18.561 1.00 0.00 C ATOM 0 H TRP B 11 -10.264 -6.152 -12.451 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.611 -8.470 -14.296 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.675 -6.940 -13.442 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.139 -6.025 -14.837 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.242 -9.913 -14.569 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -13.740 -10.876 -16.454 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -13.807 -5.472 -16.445 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.393 -9.794 -18.494 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.359 -5.514 -18.386 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -16.156 -7.579 -19.401 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.263 -5.494 -14.477 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.302 -4.681 -15.203 1.00 0.00 C ATOM 1297 C TYR B 12 -6.881 -4.918 -14.686 1.00 0.00 C ATOM 1298 O TYR B 12 -5.923 -4.888 -15.456 1.00 0.00 O ATOM 1299 CB TYR B 12 -8.694 -3.226 -14.936 1.00 0.00 C ATOM 1300 CG TYR B 12 -9.876 -2.736 -15.775 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -9.661 -2.219 -17.035 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -11.159 -2.810 -15.269 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -10.773 -1.758 -17.825 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -12.270 -2.349 -16.058 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.023 -1.846 -17.297 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.074 -1.411 -18.041 1.00 0.00 O ATOM 0 H TYR B 12 -9.584 -5.091 -13.597 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.313 -4.929 -16.264 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -8.940 -3.115 -13.880 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -7.833 -2.587 -15.132 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -8.657 -2.160 -17.430 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -11.328 -3.214 -14.282 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -10.618 -1.352 -18.814 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -13.278 -2.401 -15.675 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.897 -1.476 -17.514 1.00 0.00 H new ATOM 1316 N PRO B 13 -6.789 -5.153 -13.350 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.501 -5.395 -12.720 1.00 0.00 C ATOM 1318 C PRO B 13 -4.990 -6.802 -13.040 1.00 0.00 C ATOM 1319 O PRO B 13 -3.794 -6.999 -13.245 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.741 -5.172 -11.236 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.246 -5.272 -11.037 1.00 0.00 C ATOM 1322 CD PRO B 13 -7.901 -5.197 -12.406 1.00 0.00 C ATOM 0 HA PRO B 13 -4.721 -4.729 -13.087 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.218 -5.919 -10.639 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.370 -4.196 -10.923 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.504 -6.207 -10.541 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.602 -4.463 -10.398 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.539 -6.062 -12.587 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.531 -4.312 -12.495 1.00 0.00 H new ATOM 1330 N ASP B 14 -5.922 -7.743 -13.071 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.582 -9.125 -13.361 1.00 0.00 C ATOM 1332 C ASP B 14 -6.866 -9.945 -13.497 1.00 0.00 C ATOM 1333 O ASP B 14 -7.144 -10.499 -14.559 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.748 -9.735 -12.234 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.828 -11.258 -12.121 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.245 -11.947 -13.064 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -4.436 -11.743 -10.991 1.00 0.00 O ATOM 0 H ASP B 14 -6.913 -7.575 -12.900 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.006 -9.143 -14.286 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.706 -9.451 -12.379 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.069 -9.298 -11.288 1.00 0.00 H new TER 1343 ASP B 14