USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 567 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+ -132:sc= -0.252 (180deg=-1.33) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -0.431 F(o=-7.7,f=-0.68) USER MOD Set 2.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 34 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 4 TYR OH : rot 180:sc= -4.23! USER MOD Set 4.1: A 24 TYR OH : rot 180:sc= 0.487 USER MOD Set 4.2: A 26 LYS NZ :NH3+ -141:sc= 1.82 (180deg=0.839) USER MOD Set 5.1: A 5 THR OG1 : rot -32:sc= 1.51 USER MOD Set 5.2: A 8 THR OG1 : rot 42:sc= -1.43 USER MOD Set 5.3: A 9 SER OG : rot 180:sc= -1.36! USER MOD Set 5.4: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ILE N :NH3+ -126:sc= -1.1! (180deg=-2.03) USER MOD Single : A 4 HIS : no HD1:sc= -14.9! C(o=-15!,f=-15!) USER MOD Single : A 6 THR OG1 : rot -81:sc= -3.55! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0714 F(o=-1.5,f=-0.071) USER MOD Single : A 27 MET CE :methyl -176:sc= -1.68 (180deg=-1.76) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0117 USER MOD Single : A 58 THR OG1 : rot -170:sc= -1.65! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -4.59! C(o=-4.6!,f=-6.4!) USER MOD Single : A 68 HIS : no HE2:sc= -6.25! C(o=-6.3!,f=-10!) USER MOD Single : B 3 TYR OH : rot 180:sc= -1.35 USER MOD Single : B 6 SER OG : rot -66:sc= 0.766 USER MOD Single : B 7 SER OG : rot 180:sc= -0.412 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 8.385 15.403 -0.283 1.00 0.00 N ATOM 2 CA ILE A 1 7.284 14.763 -1.059 1.00 0.00 C ATOM 3 C ILE A 1 6.348 13.999 -0.118 1.00 0.00 C ATOM 4 O ILE A 1 6.680 13.734 1.021 1.00 0.00 O ATOM 5 CB ILE A 1 7.988 13.801 -2.016 1.00 0.00 C ATOM 6 CG1 ILE A 1 8.873 12.845 -1.213 1.00 0.00 C ATOM 7 CG2 ILE A 1 8.857 14.596 -2.992 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.803 11.447 -1.829 1.00 0.00 C ATOM 0 H1 ILE A 1 8.418 16.419 -0.500 1.00 0.00 H new ATOM 0 H2 ILE A 1 8.214 15.272 0.734 1.00 0.00 H new ATOM 0 H3 ILE A 1 9.292 14.965 -0.541 1.00 0.00 H new ATOM 0 HA ILE A 1 6.671 15.492 -1.590 1.00 0.00 H new ATOM 0 HB ILE A 1 7.243 13.232 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.903 13.202 -1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 1 8.544 12.813 -0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 1 9.359 13.910 -3.674 1.00 0.00 H new ATOM 0 HG22 ILE A 1 8.230 15.281 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 1 9.602 15.164 -2.436 1.00 0.00 H new ATOM 0 HD11 ILE A 1 9.433 10.766 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.773 11.092 -1.809 1.00 0.00 H new ATOM 0 HD13 ILE A 1 9.153 11.486 -2.861 1.00 0.00 H new ATOM 22 N VAL A 2 5.181 13.644 -0.583 1.00 0.00 N ATOM 23 CA VAL A 2 4.226 12.898 0.289 1.00 0.00 C ATOM 24 C VAL A 2 3.809 11.591 -0.382 1.00 0.00 C ATOM 25 O VAL A 2 3.892 11.443 -1.585 1.00 0.00 O ATOM 26 CB VAL A 2 3.017 13.816 0.432 1.00 0.00 C ATOM 27 CG1 VAL A 2 2.132 13.330 1.577 1.00 0.00 C ATOM 28 CG2 VAL A 2 3.488 15.241 0.723 1.00 0.00 C ATOM 0 H VAL A 2 4.847 13.837 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 2 4.668 12.643 1.252 1.00 0.00 H new ATOM 0 HB VAL A 2 2.446 13.803 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.269 13.989 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.792 12.316 1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.702 13.338 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 2 2.623 15.896 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.063 15.252 1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.114 15.592 -0.097 1.00 0.00 H new ATOM 38 N CYS A 3 3.363 10.641 0.388 1.00 0.00 N ATOM 39 CA CYS A 3 2.943 9.341 -0.202 1.00 0.00 C ATOM 40 C CYS A 3 1.662 8.838 0.473 1.00 0.00 C ATOM 41 O CYS A 3 1.327 9.257 1.562 1.00 0.00 O ATOM 42 CB CYS A 3 4.100 8.398 0.089 1.00 0.00 C ATOM 43 SG CYS A 3 5.679 9.214 -0.283 1.00 0.00 S ATOM 0 H CYS A 3 3.271 10.708 1.402 1.00 0.00 H new ATOM 0 HA CYS A 3 2.728 9.418 -1.268 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.077 8.094 1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.000 7.492 -0.509 1.00 0.00 H new ATOM 48 N HIS A 4 0.953 7.928 -0.152 1.00 0.00 N ATOM 49 CA HIS A 4 -0.303 7.404 0.479 1.00 0.00 C ATOM 50 C HIS A 4 -0.007 6.170 1.308 1.00 0.00 C ATOM 51 O HIS A 4 0.891 5.412 1.003 1.00 0.00 O ATOM 52 CB HIS A 4 -1.222 7.005 -0.653 1.00 0.00 C ATOM 53 CG HIS A 4 -1.247 8.063 -1.715 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.410 9.399 -1.410 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.154 7.995 -3.080 1.00 0.00 C ATOM 56 CE1 HIS A 4 -1.409 10.083 -2.568 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.256 9.274 -3.619 1.00 0.00 N ATOM 0 H HIS A 4 1.185 7.528 -1.061 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.745 8.162 1.126 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.889 6.060 -1.082 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.230 6.844 -0.270 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.022 7.088 -3.651 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -1.519 11.155 -2.639 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.221 9.537 -4.604 1.00 0.00 H new ATOM 65 N THR A 5 -0.763 5.932 2.340 1.00 0.00 N ATOM 66 CA THR A 5 -0.503 4.715 3.133 1.00 0.00 C ATOM 67 C THR A 5 -1.741 3.842 3.191 1.00 0.00 C ATOM 68 O THR A 5 -2.719 4.136 3.850 1.00 0.00 O ATOM 69 CB THR A 5 -0.107 5.149 4.533 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.224 5.028 5.398 1.00 0.00 O ATOM 71 CG2 THR A 5 0.414 6.591 4.544 1.00 0.00 C ATOM 0 H THR A 5 -1.534 6.518 2.660 1.00 0.00 H new ATOM 0 HA THR A 5 0.295 4.132 2.672 1.00 0.00 H new ATOM 0 HB THR A 5 0.699 4.502 4.880 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.047 5.207 4.897 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.689 6.871 5.561 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.289 6.667 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.365 7.262 4.181 1.00 0.00 H new ATOM 79 N THR A 6 -1.669 2.754 2.525 1.00 0.00 N ATOM 80 CA THR A 6 -2.787 1.783 2.534 1.00 0.00 C ATOM 81 C THR A 6 -2.523 0.767 3.645 1.00 0.00 C ATOM 82 O THR A 6 -3.388 0.017 4.046 1.00 0.00 O ATOM 83 CB THR A 6 -2.740 1.107 1.162 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.486 1.371 0.549 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.861 1.650 0.278 1.00 0.00 C ATOM 0 H THR A 6 -0.868 2.479 1.957 1.00 0.00 H new ATOM 0 HA THR A 6 -3.760 2.241 2.713 1.00 0.00 H new ATOM 0 HB THR A 6 -2.869 0.032 1.286 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.503 2.261 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.822 1.165 -0.697 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.824 1.447 0.746 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.737 2.726 0.153 1.00 0.00 H new ATOM 93 N ALA A 7 -1.303 0.725 4.118 1.00 0.00 N ATOM 94 CA ALA A 7 -0.934 -0.254 5.175 1.00 0.00 C ATOM 95 C ALA A 7 -1.081 0.323 6.587 1.00 0.00 C ATOM 96 O ALA A 7 -1.360 -0.396 7.526 1.00 0.00 O ATOM 97 CB ALA A 7 0.521 -0.603 4.875 1.00 0.00 C ATOM 0 H ALA A 7 -0.544 1.334 3.812 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.591 -1.123 5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.881 -1.324 5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.593 -1.034 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.130 0.300 4.925 1.00 0.00 H new ATOM 103 N THR A 8 -0.893 1.599 6.758 1.00 0.00 N ATOM 104 CA THR A 8 -1.024 2.181 8.126 1.00 0.00 C ATOM 105 C THR A 8 -2.412 2.791 8.282 1.00 0.00 C ATOM 106 O THR A 8 -3.348 2.129 8.684 1.00 0.00 O ATOM 107 CB THR A 8 0.055 3.263 8.207 1.00 0.00 C ATOM 108 OG1 THR A 8 0.236 3.845 6.923 1.00 0.00 O ATOM 109 CG2 THR A 8 1.371 2.643 8.679 1.00 0.00 C ATOM 0 H THR A 8 -0.656 2.262 6.020 1.00 0.00 H new ATOM 0 HA THR A 8 -0.902 1.438 8.914 1.00 0.00 H new ATOM 0 HB THR A 8 -0.254 4.032 8.915 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.637 3.980 6.499 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.138 3.416 8.736 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.231 2.198 9.664 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.684 1.873 7.974 1.00 0.00 H new ATOM 117 N SER A 9 -2.564 4.035 7.942 1.00 0.00 N ATOM 118 CA SER A 9 -3.905 4.664 8.046 1.00 0.00 C ATOM 119 C SER A 9 -4.807 4.038 6.978 1.00 0.00 C ATOM 120 O SER A 9 -4.419 3.074 6.349 1.00 0.00 O ATOM 121 CB SER A 9 -3.654 6.145 7.766 1.00 0.00 C ATOM 122 OG SER A 9 -4.039 6.442 6.430 1.00 0.00 O ATOM 0 H SER A 9 -1.821 4.643 7.597 1.00 0.00 H new ATOM 0 HA SER A 9 -4.391 4.525 9.012 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.220 6.760 8.465 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.600 6.382 7.914 1.00 0.00 H new ATOM 0 HG SER A 9 -3.881 7.392 6.247 1.00 0.00 H new ATOM 128 N PRO A 10 -5.972 4.594 6.784 1.00 0.00 N ATOM 129 CA PRO A 10 -6.884 4.043 5.755 1.00 0.00 C ATOM 130 C PRO A 10 -6.293 4.292 4.375 1.00 0.00 C ATOM 131 O PRO A 10 -6.024 3.382 3.616 1.00 0.00 O ATOM 132 CB PRO A 10 -8.175 4.829 5.962 1.00 0.00 C ATOM 133 CG PRO A 10 -7.759 6.096 6.636 1.00 0.00 C ATOM 134 CD PRO A 10 -6.548 5.761 7.469 1.00 0.00 C ATOM 0 HA PRO A 10 -7.045 2.968 5.833 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.669 5.032 5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.882 4.270 6.575 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.524 6.867 5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.563 6.485 7.260 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.844 6.592 7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.821 5.528 8.498 1.00 0.00 H new ATOM 142 N ILE A 11 -6.080 5.528 4.064 1.00 0.00 N ATOM 143 CA ILE A 11 -5.496 5.899 2.764 1.00 0.00 C ATOM 144 C ILE A 11 -5.459 7.416 2.642 1.00 0.00 C ATOM 145 O ILE A 11 -6.472 8.084 2.588 1.00 0.00 O ATOM 146 CB ILE A 11 -6.398 5.237 1.733 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.535 4.223 0.974 1.00 0.00 C ATOM 148 CG2 ILE A 11 -7.007 6.273 0.768 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.989 4.093 -0.482 1.00 0.00 C ATOM 0 H ILE A 11 -6.293 6.317 4.675 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.466 5.569 2.631 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.238 4.745 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.491 4.534 1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.594 3.251 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.646 5.765 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.599 6.993 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.207 6.795 0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.359 3.367 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.026 3.759 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.906 5.061 -0.977 1.00 0.00 H new ATOM 161 N SER A 12 -4.287 7.949 2.609 1.00 0.00 N ATOM 162 CA SER A 12 -4.129 9.418 2.499 1.00 0.00 C ATOM 163 C SER A 12 -2.665 9.726 2.244 1.00 0.00 C ATOM 164 O SER A 12 -1.791 8.976 2.644 1.00 0.00 O ATOM 165 CB SER A 12 -4.572 9.974 3.852 1.00 0.00 C ATOM 166 OG SER A 12 -3.672 9.530 4.859 1.00 0.00 O ATOM 0 H SER A 12 -3.413 7.425 2.654 1.00 0.00 H new ATOM 0 HA SER A 12 -4.712 9.854 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.593 11.063 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.585 9.642 4.081 1.00 0.00 H new ATOM 0 HG SER A 12 -3.952 9.886 5.728 1.00 0.00 H new ATOM 172 N ALA A 13 -2.383 10.805 1.580 1.00 0.00 N ATOM 173 CA ALA A 13 -0.967 11.134 1.302 1.00 0.00 C ATOM 174 C ALA A 13 -0.381 11.975 2.419 1.00 0.00 C ATOM 175 O ALA A 13 -0.595 13.169 2.488 1.00 0.00 O ATOM 176 CB ALA A 13 -0.973 11.936 0.016 1.00 0.00 C ATOM 0 H ALA A 13 -3.068 11.469 1.220 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.364 10.229 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.049 12.212 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.403 11.335 -0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.568 12.839 0.153 1.00 0.00 H new ATOM 182 N VAL A 14 0.379 11.378 3.277 1.00 0.00 N ATOM 183 CA VAL A 14 0.998 12.173 4.358 1.00 0.00 C ATOM 184 C VAL A 14 2.495 12.227 4.125 1.00 0.00 C ATOM 185 O VAL A 14 3.110 11.271 3.684 1.00 0.00 O ATOM 186 CB VAL A 14 0.676 11.466 5.683 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.708 10.834 5.602 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.725 10.386 5.975 1.00 0.00 C ATOM 0 H VAL A 14 0.598 10.382 3.279 1.00 0.00 H new ATOM 0 HA VAL A 14 0.617 13.194 4.382 1.00 0.00 H new ATOM 0 HB VAL A 14 0.692 12.199 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.935 10.333 6.543 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.451 11.609 5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.729 10.108 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.486 9.892 6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.725 9.652 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.711 10.846 6.047 1.00 0.00 H new ATOM 198 N THR A 15 3.078 13.332 4.413 1.00 0.00 N ATOM 199 CA THR A 15 4.541 13.454 4.225 1.00 0.00 C ATOM 200 C THR A 15 5.230 12.306 4.960 1.00 0.00 C ATOM 201 O THR A 15 4.652 11.684 5.829 1.00 0.00 O ATOM 202 CB THR A 15 4.908 14.787 4.859 1.00 0.00 C ATOM 203 OG1 THR A 15 3.930 15.759 4.516 1.00 0.00 O ATOM 204 CG2 THR A 15 6.276 15.228 4.346 1.00 0.00 C ATOM 0 H THR A 15 2.611 14.165 4.772 1.00 0.00 H new ATOM 0 HA THR A 15 4.843 13.411 3.179 1.00 0.00 H new ATOM 0 HB THR A 15 4.944 14.682 5.943 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.165 16.618 4.925 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.543 16.183 4.798 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.023 14.480 4.611 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.240 15.337 3.262 1.00 0.00 H new ATOM 212 N CYS A 16 6.451 12.009 4.626 1.00 0.00 N ATOM 213 CA CYS A 16 7.147 10.894 5.318 1.00 0.00 C ATOM 214 C CYS A 16 8.618 11.248 5.551 1.00 0.00 C ATOM 215 O CYS A 16 9.465 10.962 4.729 1.00 0.00 O ATOM 216 CB CYS A 16 7.014 9.712 4.362 1.00 0.00 C ATOM 217 SG CYS A 16 5.580 8.712 4.836 1.00 0.00 S ATOM 0 H CYS A 16 6.995 12.487 3.908 1.00 0.00 H new ATOM 0 HA CYS A 16 6.724 10.678 6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.900 10.069 3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.919 9.105 4.389 1.00 0.00 H new ATOM 222 N PRO A 17 8.868 11.866 6.677 1.00 0.00 N ATOM 223 CA PRO A 17 10.234 12.275 7.053 1.00 0.00 C ATOM 224 C PRO A 17 10.949 11.283 8.011 1.00 0.00 C ATOM 225 O PRO A 17 11.907 11.674 8.647 1.00 0.00 O ATOM 226 CB PRO A 17 9.972 13.587 7.789 1.00 0.00 C ATOM 227 CG PRO A 17 8.558 13.491 8.311 1.00 0.00 C ATOM 228 CD PRO A 17 7.911 12.269 7.696 1.00 0.00 C ATOM 0 HA PRO A 17 10.890 12.333 6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.681 13.726 8.605 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.085 14.440 7.120 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.558 13.415 9.398 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.996 14.389 8.054 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.753 11.482 8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.937 12.502 7.265 1.00 0.00 H new ATOM 236 N PRO A 18 10.500 10.044 8.112 1.00 0.00 N ATOM 237 CA PRO A 18 11.182 9.098 9.026 1.00 0.00 C ATOM 238 C PRO A 18 12.444 8.545 8.361 1.00 0.00 C ATOM 239 O PRO A 18 13.231 7.852 8.975 1.00 0.00 O ATOM 240 CB PRO A 18 10.155 7.994 9.242 1.00 0.00 C ATOM 241 CG PRO A 18 9.275 8.027 8.034 1.00 0.00 C ATOM 242 CD PRO A 18 9.369 9.406 7.426 1.00 0.00 C ATOM 0 HA PRO A 18 11.500 9.558 9.961 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.639 7.023 9.349 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.580 8.165 10.152 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.588 7.271 7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.244 7.800 8.307 1.00 0.00 H new ATOM 0 HD2 PRO A 18 9.538 9.353 6.350 1.00 0.00 H new ATOM 0 HD3 PRO A 18 8.447 9.968 7.577 1.00 0.00 H new ATOM 250 N GLY A 19 12.642 8.848 7.107 1.00 0.00 N ATOM 251 CA GLY A 19 13.850 8.344 6.397 1.00 0.00 C ATOM 252 C GLY A 19 13.523 8.132 4.919 1.00 0.00 C ATOM 253 O GLY A 19 14.403 7.974 4.097 1.00 0.00 O ATOM 0 H GLY A 19 12.017 9.424 6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.669 9.056 6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.183 7.408 6.844 1.00 0.00 H new ATOM 257 N GLU A 20 12.264 8.117 4.573 1.00 0.00 N ATOM 258 CA GLU A 20 11.887 7.904 3.155 1.00 0.00 C ATOM 259 C GLU A 20 12.294 9.099 2.290 1.00 0.00 C ATOM 260 O GLU A 20 12.216 10.242 2.695 1.00 0.00 O ATOM 261 CB GLU A 20 10.356 7.765 3.172 1.00 0.00 C ATOM 262 CG GLU A 20 9.782 8.221 1.824 1.00 0.00 C ATOM 263 CD GLU A 20 9.613 9.742 1.821 1.00 0.00 C ATOM 264 OE1 GLU A 20 8.824 10.232 2.611 1.00 0.00 O ATOM 265 OE2 GLU A 20 10.276 10.391 1.029 1.00 0.00 O ATOM 0 H GLU A 20 11.482 8.244 5.216 1.00 0.00 H new ATOM 0 HA GLU A 20 12.385 7.031 2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.077 6.729 3.366 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.935 8.365 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.446 7.918 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.821 7.739 1.646 1.00 0.00 H new ATOM 272 N ASN A 21 12.680 8.823 1.081 1.00 0.00 N ATOM 273 CA ASN A 21 13.049 9.897 0.130 1.00 0.00 C ATOM 274 C ASN A 21 12.109 9.810 -1.080 1.00 0.00 C ATOM 275 O ASN A 21 12.085 10.671 -1.936 1.00 0.00 O ATOM 276 CB ASN A 21 14.485 9.577 -0.272 1.00 0.00 C ATOM 277 CG ASN A 21 15.433 9.974 0.859 1.00 0.00 C ATOM 278 OD1 ASN A 21 15.459 9.253 1.943 1.00 0.00 O flip ATOM 279 ND2 ASN A 21 16.152 10.948 0.755 1.00 0.00 N flip ATOM 0 H ASN A 21 12.756 7.878 0.705 1.00 0.00 H new ATOM 0 HA ASN A 21 12.968 10.902 0.545 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.585 8.513 -0.488 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.746 10.113 -1.184 1.00 0.00 H new ATOM 0 HD21 ASN A 21 16.129 11.510 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.779 11.203 1.518 1.00 0.00 H new ATOM 286 N LEU A 22 11.342 8.747 -1.147 1.00 0.00 N ATOM 287 CA LEU A 22 10.402 8.542 -2.279 1.00 0.00 C ATOM 288 C LEU A 22 9.217 7.677 -1.809 1.00 0.00 C ATOM 289 O LEU A 22 9.243 7.138 -0.720 1.00 0.00 O ATOM 290 CB LEU A 22 11.257 7.800 -3.302 1.00 0.00 C ATOM 291 CG LEU A 22 11.414 6.334 -2.890 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.530 5.471 -3.783 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.875 5.911 -3.060 1.00 0.00 C ATOM 0 H LEU A 22 11.333 8.004 -0.449 1.00 0.00 H new ATOM 0 HA LEU A 22 9.974 9.461 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.795 7.862 -4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.237 8.271 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 22 11.120 6.210 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.635 4.424 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.490 5.776 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.832 5.595 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.988 4.867 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.169 6.029 -4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.510 6.535 -2.431 1.00 0.00 H new ATOM 305 N CYS A 23 8.186 7.513 -2.608 1.00 0.00 N ATOM 306 CA CYS A 23 7.049 6.654 -2.152 1.00 0.00 C ATOM 307 C CYS A 23 7.172 5.279 -2.783 1.00 0.00 C ATOM 308 O CYS A 23 8.063 5.023 -3.565 1.00 0.00 O ATOM 309 CB CYS A 23 5.765 7.325 -2.632 1.00 0.00 C ATOM 310 SG CYS A 23 5.841 9.100 -2.294 1.00 0.00 S ATOM 0 H CYS A 23 8.085 7.927 -3.535 1.00 0.00 H new ATOM 0 HA CYS A 23 7.049 6.541 -1.068 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.631 7.154 -3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.904 6.886 -2.129 1.00 0.00 H new ATOM 315 N TYR A 24 6.287 4.388 -2.472 1.00 0.00 N ATOM 316 CA TYR A 24 6.397 3.044 -3.084 1.00 0.00 C ATOM 317 C TYR A 24 5.044 2.354 -3.168 1.00 0.00 C ATOM 318 O TYR A 24 4.042 2.857 -2.712 1.00 0.00 O ATOM 319 CB TYR A 24 7.334 2.256 -2.169 1.00 0.00 C ATOM 320 CG TYR A 24 6.593 1.878 -0.912 1.00 0.00 C ATOM 321 CD1 TYR A 24 5.706 0.799 -0.929 1.00 0.00 C ATOM 322 CD2 TYR A 24 6.779 2.614 0.260 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.002 0.455 0.230 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.078 2.268 1.422 1.00 0.00 C ATOM 325 CZ TYR A 24 5.188 1.189 1.406 1.00 0.00 C ATOM 326 OH TYR A 24 4.493 0.850 2.549 1.00 0.00 O ATOM 0 H TYR A 24 5.504 4.525 -1.832 1.00 0.00 H new ATOM 0 HA TYR A 24 6.771 3.110 -4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.692 1.361 -2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.211 2.855 -1.923 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.564 0.231 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.463 3.450 0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.315 -0.378 0.217 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.225 2.834 2.330 1.00 0.00 H new ATOM 0 HH TYR A 24 4.740 1.460 3.275 1.00 0.00 H new ATOM 336 N ARG A 25 5.028 1.191 -3.742 1.00 0.00 N ATOM 337 CA ARG A 25 3.751 0.424 -3.861 1.00 0.00 C ATOM 338 C ARG A 25 4.005 -1.044 -3.492 1.00 0.00 C ATOM 339 O ARG A 25 4.729 -1.731 -4.177 1.00 0.00 O ATOM 340 CB ARG A 25 3.350 0.540 -5.334 1.00 0.00 C ATOM 341 CG ARG A 25 3.605 1.965 -5.831 1.00 0.00 C ATOM 342 CD ARG A 25 2.709 2.258 -7.037 1.00 0.00 C ATOM 343 NE ARG A 25 2.822 3.727 -7.252 1.00 0.00 N ATOM 344 CZ ARG A 25 2.779 4.216 -8.461 1.00 0.00 C ATOM 345 NH1 ARG A 25 1.933 3.733 -9.330 1.00 0.00 N ATOM 346 NH2 ARG A 25 3.582 5.186 -8.802 1.00 0.00 N ATOM 0 H ARG A 25 5.847 0.730 -4.139 1.00 0.00 H new ATOM 0 HA ARG A 25 2.971 0.802 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.920 -0.171 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.297 0.286 -5.455 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.403 2.680 -5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.653 2.082 -6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.037 1.704 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.677 1.966 -6.843 1.00 0.00 H new ATOM 0 HE ARG A 25 2.933 4.352 -6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.306 2.974 -9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.899 4.115 -10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.244 5.563 -8.123 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.548 5.568 -9.747 1.00 0.00 H new ATOM 360 N LYS A 26 3.430 -1.554 -2.432 1.00 0.00 N ATOM 361 CA LYS A 26 3.708 -2.976 -2.100 1.00 0.00 C ATOM 362 C LYS A 26 2.504 -3.846 -2.390 1.00 0.00 C ATOM 363 O LYS A 26 1.381 -3.390 -2.467 1.00 0.00 O ATOM 364 CB LYS A 26 4.033 -3.024 -0.606 1.00 0.00 C ATOM 365 CG LYS A 26 5.505 -3.398 -0.426 1.00 0.00 C ATOM 366 CD LYS A 26 6.181 -2.425 0.544 1.00 0.00 C ATOM 367 CE LYS A 26 5.330 -2.270 1.807 1.00 0.00 C ATOM 368 NZ LYS A 26 6.150 -1.426 2.719 1.00 0.00 N ATOM 0 H LYS A 26 2.798 -1.061 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 26 4.535 -3.352 -2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.832 -2.056 -0.146 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.396 -3.753 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.586 -4.417 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.014 -3.376 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.173 -2.791 0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.316 -1.455 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.374 -1.797 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.109 -3.238 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.051 -1.772 3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.149 -1.476 2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.824 -0.440 2.666 1.00 0.00 H new ATOM 382 N MET A 27 2.745 -5.106 -2.532 1.00 0.00 N ATOM 383 CA MET A 27 1.646 -6.051 -2.797 1.00 0.00 C ATOM 384 C MET A 27 2.043 -7.409 -2.270 1.00 0.00 C ATOM 385 O MET A 27 3.209 -7.704 -2.096 1.00 0.00 O ATOM 386 CB MET A 27 1.473 -6.071 -4.315 1.00 0.00 C ATOM 387 CG MET A 27 0.145 -5.409 -4.689 1.00 0.00 C ATOM 388 SD MET A 27 0.311 -4.594 -6.296 1.00 0.00 S ATOM 389 CE MET A 27 -1.289 -5.097 -6.974 1.00 0.00 C ATOM 0 H MET A 27 3.672 -5.528 -2.475 1.00 0.00 H new ATOM 0 HA MET A 27 0.712 -5.768 -2.312 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.300 -5.545 -4.792 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.495 -7.098 -4.680 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.648 -6.156 -4.728 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.139 -4.682 -3.928 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.370 -4.756 -8.006 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.372 -6.183 -6.943 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.090 -4.655 -6.382 1.00 0.00 H new ATOM 399 N TRP A 28 1.093 -8.229 -1.978 1.00 0.00 N ATOM 400 CA TRP A 28 1.443 -9.546 -1.421 1.00 0.00 C ATOM 401 C TRP A 28 0.203 -10.435 -1.334 1.00 0.00 C ATOM 402 O TRP A 28 -0.193 -11.061 -2.297 1.00 0.00 O ATOM 403 CB TRP A 28 2.006 -9.233 -0.027 1.00 0.00 C ATOM 404 CG TRP A 28 1.429 -7.964 0.564 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.111 -7.701 0.777 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.150 -6.792 1.045 1.00 0.00 C ATOM 407 NE1 TRP A 28 -0.007 -6.456 1.376 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.220 -5.858 1.555 1.00 0.00 C ATOM 409 CE3 TRP A 28 3.509 -6.459 1.090 1.00 0.00 C ATOM 410 CZ2 TRP A 28 1.629 -4.639 2.095 1.00 0.00 C ATOM 411 CZ3 TRP A 28 3.928 -5.232 1.627 1.00 0.00 C ATOM 412 CH2 TRP A 28 2.989 -4.324 2.132 1.00 0.00 C ATOM 0 H TRP A 28 0.096 -8.048 -2.099 1.00 0.00 H new ATOM 0 HA TRP A 28 2.160 -10.089 -2.037 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.796 -10.068 0.641 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.090 -9.140 -0.090 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.709 -8.355 0.521 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.894 -6.035 1.650 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.242 -7.153 0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.899 -3.943 2.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.980 -4.987 1.651 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.316 -3.383 2.549 1.00 0.00 H new ATOM 423 N CYS A 29 -0.409 -10.496 -0.192 1.00 0.00 N ATOM 424 CA CYS A 29 -1.626 -11.333 -0.039 1.00 0.00 C ATOM 425 C CYS A 29 -2.254 -11.067 1.331 1.00 0.00 C ATOM 426 O CYS A 29 -1.586 -11.113 2.345 1.00 0.00 O ATOM 427 CB CYS A 29 -1.124 -12.768 -0.129 1.00 0.00 C ATOM 428 SG CYS A 29 -1.858 -13.582 -1.566 1.00 0.00 S ATOM 0 H CYS A 29 -0.118 -9.999 0.650 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.385 -11.123 -0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.037 -12.779 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.382 -13.311 0.780 1.00 0.00 H new ATOM 433 N ASP A 30 -3.525 -10.784 1.376 1.00 0.00 N ATOM 434 CA ASP A 30 -4.172 -10.511 2.692 1.00 0.00 C ATOM 435 C ASP A 30 -4.632 -11.822 3.337 1.00 0.00 C ATOM 436 O ASP A 30 -5.253 -12.652 2.704 1.00 0.00 O ATOM 437 CB ASP A 30 -5.371 -9.620 2.372 1.00 0.00 C ATOM 438 CG ASP A 30 -5.839 -8.916 3.647 1.00 0.00 C ATOM 439 OD1 ASP A 30 -6.564 -9.534 4.410 1.00 0.00 O ATOM 440 OD2 ASP A 30 -5.465 -7.771 3.840 1.00 0.00 O ATOM 0 H ASP A 30 -4.142 -10.730 0.565 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.489 -10.033 3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.099 -8.883 1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.181 -10.219 1.956 1.00 0.00 H new ATOM 445 N ALA A 31 -4.334 -12.014 4.593 1.00 0.00 N ATOM 446 CA ALA A 31 -4.756 -13.271 5.275 1.00 0.00 C ATOM 447 C ALA A 31 -4.269 -14.491 4.489 1.00 0.00 C ATOM 448 O ALA A 31 -3.193 -15.004 4.725 1.00 0.00 O ATOM 449 CB ALA A 31 -6.284 -13.218 5.291 1.00 0.00 C ATOM 0 H ALA A 31 -3.817 -11.356 5.176 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.340 -13.355 6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.674 -14.112 5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.612 -12.334 5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.657 -13.171 4.268 1.00 0.00 H new ATOM 455 N PHE A 32 -5.052 -14.960 3.555 1.00 0.00 N ATOM 456 CA PHE A 32 -4.631 -16.146 2.754 1.00 0.00 C ATOM 457 C PHE A 32 -4.984 -15.942 1.279 1.00 0.00 C ATOM 458 O PHE A 32 -5.425 -16.851 0.604 1.00 0.00 O ATOM 459 CB PHE A 32 -5.421 -17.319 3.337 1.00 0.00 C ATOM 460 CG PHE A 32 -4.597 -18.000 4.402 1.00 0.00 C ATOM 461 CD1 PHE A 32 -4.665 -17.558 5.728 1.00 0.00 C ATOM 462 CD2 PHE A 32 -3.764 -19.072 4.063 1.00 0.00 C ATOM 463 CE1 PHE A 32 -3.901 -18.190 6.717 1.00 0.00 C ATOM 464 CE2 PHE A 32 -2.999 -19.704 5.051 1.00 0.00 C ATOM 465 CZ PHE A 32 -3.067 -19.263 6.378 1.00 0.00 C ATOM 0 H PHE A 32 -5.964 -14.574 3.312 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.555 -16.315 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.361 -16.964 3.760 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.674 -18.028 2.549 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.307 -16.729 5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.711 -19.412 3.039 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.955 -17.850 7.741 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.356 -20.532 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.477 -19.750 7.140 1.00 0.00 H new ATOM 475 N CYS A 33 -4.793 -14.754 0.774 1.00 0.00 N ATOM 476 CA CYS A 33 -5.117 -14.491 -0.657 1.00 0.00 C ATOM 477 C CYS A 33 -6.593 -14.788 -0.929 1.00 0.00 C ATOM 478 O CYS A 33 -7.024 -15.924 -0.900 1.00 0.00 O ATOM 479 CB CYS A 33 -4.228 -15.447 -1.451 1.00 0.00 C ATOM 480 SG CYS A 33 -2.529 -15.342 -0.840 1.00 0.00 S ATOM 0 H CYS A 33 -4.427 -13.954 1.290 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.944 -13.450 -0.931 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.597 -16.468 -1.355 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.260 -15.195 -2.511 1.00 0.00 H new ATOM 485 N SER A 34 -7.370 -13.776 -1.198 1.00 0.00 N ATOM 486 CA SER A 34 -8.816 -14.001 -1.477 1.00 0.00 C ATOM 487 C SER A 34 -9.039 -14.163 -2.983 1.00 0.00 C ATOM 488 O SER A 34 -8.149 -14.553 -3.713 1.00 0.00 O ATOM 489 CB SER A 34 -9.516 -12.745 -0.963 1.00 0.00 C ATOM 490 OG SER A 34 -8.834 -12.268 0.190 1.00 0.00 O ATOM 0 H SER A 34 -7.066 -12.803 -1.237 1.00 0.00 H new ATOM 0 HA SER A 34 -9.197 -14.903 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.527 -11.978 -1.737 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.555 -12.967 -0.720 1.00 0.00 H new ATOM 0 HG SER A 34 -9.279 -11.461 0.523 1.00 0.00 H new ATOM 496 N SER A 35 -10.218 -13.864 -3.453 1.00 0.00 N ATOM 497 CA SER A 35 -10.492 -13.998 -4.913 1.00 0.00 C ATOM 498 C SER A 35 -10.325 -12.643 -5.604 1.00 0.00 C ATOM 499 O SER A 35 -10.836 -12.419 -6.684 1.00 0.00 O ATOM 500 CB SER A 35 -11.942 -14.471 -5.002 1.00 0.00 C ATOM 501 OG SER A 35 -12.042 -15.495 -5.983 1.00 0.00 O ATOM 0 H SER A 35 -11.003 -13.533 -2.892 1.00 0.00 H new ATOM 0 HA SER A 35 -9.808 -14.692 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.275 -14.845 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.594 -13.637 -5.262 1.00 0.00 H new ATOM 0 HG SER A 35 -12.971 -15.802 -6.042 1.00 0.00 H new ATOM 507 N ARG A 36 -9.616 -11.737 -4.989 1.00 0.00 N ATOM 508 CA ARG A 36 -9.420 -10.395 -5.611 1.00 0.00 C ATOM 509 C ARG A 36 -7.927 -10.078 -5.715 1.00 0.00 C ATOM 510 O ARG A 36 -7.508 -8.951 -5.539 1.00 0.00 O ATOM 511 CB ARG A 36 -10.106 -9.405 -4.665 1.00 0.00 C ATOM 512 CG ARG A 36 -11.430 -9.990 -4.167 1.00 0.00 C ATOM 513 CD ARG A 36 -12.564 -9.009 -4.466 1.00 0.00 C ATOM 514 NE ARG A 36 -12.566 -8.868 -5.948 1.00 0.00 N ATOM 515 CZ ARG A 36 -13.668 -9.060 -6.620 1.00 0.00 C ATOM 516 NH1 ARG A 36 -14.705 -8.297 -6.403 1.00 0.00 N ATOM 517 NH2 ARG A 36 -13.734 -10.014 -7.507 1.00 0.00 N ATOM 0 H ARG A 36 -9.164 -11.867 -4.084 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.833 -10.347 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.454 -9.186 -3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.287 -8.462 -5.181 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.624 -10.946 -4.654 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.375 -10.183 -3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.520 -9.387 -4.104 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.395 -8.049 -3.978 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.706 -8.621 -6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.653 -7.552 -5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.567 -8.446 -6.928 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.924 -10.610 -7.676 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.596 -10.164 -8.032 1.00 0.00 H new ATOM 531 N GLY A 37 -7.119 -11.064 -5.992 1.00 0.00 N ATOM 532 CA GLY A 37 -5.655 -10.814 -6.099 1.00 0.00 C ATOM 533 C GLY A 37 -5.097 -10.496 -4.711 1.00 0.00 C ATOM 534 O GLY A 37 -5.665 -10.871 -3.705 1.00 0.00 O ATOM 0 H GLY A 37 -7.409 -12.029 -6.148 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.154 -11.688 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.464 -9.984 -6.780 1.00 0.00 H new ATOM 538 N LYS A 38 -4.000 -9.795 -4.644 1.00 0.00 N ATOM 539 CA LYS A 38 -3.425 -9.443 -3.321 1.00 0.00 C ATOM 540 C LYS A 38 -3.972 -8.089 -2.892 1.00 0.00 C ATOM 541 O LYS A 38 -5.122 -7.771 -3.116 1.00 0.00 O ATOM 542 CB LYS A 38 -1.915 -9.352 -3.540 1.00 0.00 C ATOM 543 CG LYS A 38 -1.446 -10.484 -4.456 1.00 0.00 C ATOM 544 CD LYS A 38 -2.018 -11.815 -3.963 1.00 0.00 C ATOM 545 CE LYS A 38 -2.974 -12.382 -5.015 1.00 0.00 C ATOM 546 NZ LYS A 38 -2.370 -13.682 -5.422 1.00 0.00 N ATOM 0 H LYS A 38 -3.478 -9.451 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.672 -10.173 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.661 -8.388 -3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.397 -9.410 -2.583 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.770 -10.295 -5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.357 -10.527 -4.469 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.210 -12.522 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.544 -11.670 -3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.974 -12.522 -4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.070 -11.708 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.969 -14.133 -6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.421 -13.516 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.297 -14.306 -4.593 1.00 0.00 H new ATOM 560 N VAL A 39 -3.149 -7.275 -2.307 1.00 0.00 N ATOM 561 CA VAL A 39 -3.613 -5.930 -1.896 1.00 0.00 C ATOM 562 C VAL A 39 -2.825 -4.879 -2.674 1.00 0.00 C ATOM 563 O VAL A 39 -2.210 -5.163 -3.683 1.00 0.00 O ATOM 564 CB VAL A 39 -3.314 -5.821 -0.394 1.00 0.00 C ATOM 565 CG1 VAL A 39 -4.298 -4.843 0.250 1.00 0.00 C ATOM 566 CG2 VAL A 39 -3.459 -7.190 0.278 1.00 0.00 C ATOM 0 H VAL A 39 -2.173 -7.483 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.674 -5.776 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.292 -5.465 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.087 -4.764 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.193 -3.862 -0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.316 -5.204 0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.244 -7.097 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.477 -7.555 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.759 -7.893 -0.174 1.00 0.00 H new ATOM 576 N VAL A 40 -2.821 -3.679 -2.195 1.00 0.00 N ATOM 577 CA VAL A 40 -2.059 -2.590 -2.863 1.00 0.00 C ATOM 578 C VAL A 40 -1.683 -1.628 -1.766 1.00 0.00 C ATOM 579 O VAL A 40 -2.328 -0.626 -1.528 1.00 0.00 O ATOM 580 CB VAL A 40 -2.999 -1.947 -3.879 1.00 0.00 C ATOM 581 CG1 VAL A 40 -2.178 -1.439 -5.063 1.00 0.00 C ATOM 582 CG2 VAL A 40 -4.004 -2.984 -4.371 1.00 0.00 C ATOM 0 H VAL A 40 -3.321 -3.395 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.162 -2.924 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.532 -1.118 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.841 -0.978 -5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.454 -0.702 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.652 -2.274 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.675 -2.525 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.472 -3.811 -4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.583 -3.358 -3.527 1.00 0.00 H new ATOM 592 N GLU A 41 -0.684 -1.992 -1.045 1.00 0.00 N ATOM 593 CA GLU A 41 -0.271 -1.188 0.123 1.00 0.00 C ATOM 594 C GLU A 41 0.914 -0.281 -0.197 1.00 0.00 C ATOM 595 O GLU A 41 2.044 -0.578 0.138 1.00 0.00 O ATOM 596 CB GLU A 41 0.109 -2.236 1.163 1.00 0.00 C ATOM 597 CG GLU A 41 -0.938 -3.355 1.179 1.00 0.00 C ATOM 598 CD GLU A 41 -1.446 -3.560 2.607 1.00 0.00 C ATOM 599 OE1 GLU A 41 -1.358 -2.626 3.387 1.00 0.00 O ATOM 600 OE2 GLU A 41 -1.915 -4.649 2.896 1.00 0.00 O ATOM 0 H GLU A 41 -0.122 -2.827 -1.214 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.059 -0.514 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.092 -2.648 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.178 -1.775 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.768 -3.100 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.503 -4.280 0.801 1.00 0.00 H new ATOM 607 N LEU A 42 0.664 0.835 -0.821 1.00 0.00 N ATOM 608 CA LEU A 42 1.777 1.767 -1.134 1.00 0.00 C ATOM 609 C LEU A 42 2.199 2.481 0.146 1.00 0.00 C ATOM 610 O LEU A 42 1.668 2.228 1.209 1.00 0.00 O ATOM 611 CB LEU A 42 1.220 2.780 -2.143 1.00 0.00 C ATOM 612 CG LEU A 42 0.232 2.114 -3.103 1.00 0.00 C ATOM 613 CD1 LEU A 42 -1.137 2.764 -2.931 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.706 2.323 -4.541 1.00 0.00 C ATOM 0 H LEU A 42 -0.260 1.140 -1.126 1.00 0.00 H new ATOM 0 HA LEU A 42 2.644 1.247 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.724 3.592 -1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.040 3.223 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 42 0.170 1.047 -2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.850 2.297 -3.611 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.476 2.632 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.065 3.828 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.004 1.850 -5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.759 3.390 -4.755 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.693 1.878 -4.667 1.00 0.00 H new ATOM 626 N GLY A 43 3.142 3.373 0.062 1.00 0.00 N ATOM 627 CA GLY A 43 3.569 4.090 1.301 1.00 0.00 C ATOM 628 C GLY A 43 4.864 4.867 1.062 1.00 0.00 C ATOM 629 O GLY A 43 5.089 5.409 0.000 1.00 0.00 O ATOM 0 H GLY A 43 3.631 3.637 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.783 4.775 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.714 3.373 2.109 1.00 0.00 H new ATOM 633 N CYS A 44 5.704 4.947 2.059 1.00 0.00 N ATOM 634 CA CYS A 44 6.973 5.708 1.914 1.00 0.00 C ATOM 635 C CYS A 44 8.183 4.774 2.030 1.00 0.00 C ATOM 636 O CYS A 44 8.095 3.689 2.567 1.00 0.00 O ATOM 637 CB CYS A 44 6.967 6.680 3.094 1.00 0.00 C ATOM 638 SG CYS A 44 5.333 7.438 3.288 1.00 0.00 S ATOM 0 H CYS A 44 5.562 4.514 2.972 1.00 0.00 H new ATOM 0 HA CYS A 44 7.043 6.205 0.946 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.240 6.152 4.008 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.717 7.455 2.937 1.00 0.00 H new ATOM 643 N ALA A 45 9.319 5.199 1.548 1.00 0.00 N ATOM 644 CA ALA A 45 10.534 4.353 1.647 1.00 0.00 C ATOM 645 C ALA A 45 11.772 5.170 1.272 1.00 0.00 C ATOM 646 O ALA A 45 11.763 5.928 0.323 1.00 0.00 O ATOM 647 CB ALA A 45 10.313 3.210 0.656 1.00 0.00 C ATOM 0 H ALA A 45 9.455 6.100 1.089 1.00 0.00 H new ATOM 0 HA ALA A 45 10.696 3.978 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.174 2.541 0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.417 2.655 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.191 3.617 -0.348 1.00 0.00 H new ATOM 653 N ALA A 46 12.835 5.026 2.014 1.00 0.00 N ATOM 654 CA ALA A 46 14.069 5.803 1.703 1.00 0.00 C ATOM 655 C ALA A 46 14.596 5.420 0.320 1.00 0.00 C ATOM 656 O ALA A 46 15.129 6.239 -0.402 1.00 0.00 O ATOM 657 CB ALA A 46 15.072 5.408 2.787 1.00 0.00 C ATOM 0 H ALA A 46 12.903 4.405 2.821 1.00 0.00 H new ATOM 0 HA ALA A 46 13.888 6.878 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.010 5.940 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.670 5.668 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.252 4.334 2.742 1.00 0.00 H new ATOM 663 N THR A 47 14.450 4.180 -0.053 1.00 0.00 N ATOM 664 CA THR A 47 14.940 3.740 -1.388 1.00 0.00 C ATOM 665 C THR A 47 14.225 2.454 -1.806 1.00 0.00 C ATOM 666 O THR A 47 13.902 1.618 -0.985 1.00 0.00 O ATOM 667 CB THR A 47 16.437 3.489 -1.199 1.00 0.00 C ATOM 668 OG1 THR A 47 16.683 3.089 0.142 1.00 0.00 O ATOM 669 CG2 THR A 47 17.211 4.772 -1.502 1.00 0.00 C ATOM 0 H THR A 47 14.012 3.451 0.510 1.00 0.00 H new ATOM 0 HA THR A 47 14.750 4.479 -2.166 1.00 0.00 H new ATOM 0 HB THR A 47 16.764 2.701 -1.878 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.642 2.926 0.264 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.278 4.594 -1.367 1.00 0.00 H new ATOM 0 HG22 THR A 47 17.021 5.077 -2.531 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.887 5.561 -0.824 1.00 0.00 H new ATOM 677 N CYS A 48 13.972 2.291 -3.074 1.00 0.00 N ATOM 678 CA CYS A 48 13.275 1.061 -3.543 1.00 0.00 C ATOM 679 C CYS A 48 13.826 -0.172 -2.822 1.00 0.00 C ATOM 680 O CYS A 48 14.906 -0.638 -3.126 1.00 0.00 O ATOM 681 CB CYS A 48 13.576 0.983 -5.039 1.00 0.00 C ATOM 682 SG CYS A 48 12.025 1.040 -5.967 1.00 0.00 S ATOM 0 H CYS A 48 14.218 2.957 -3.807 1.00 0.00 H new ATOM 0 HA CYS A 48 12.204 1.093 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.221 1.811 -5.335 1.00 0.00 H new ATOM 0 HB3 CYS A 48 14.115 0.063 -5.265 1.00 0.00 H new ATOM 687 N PRO A 49 13.057 -0.662 -1.888 1.00 0.00 N ATOM 688 CA PRO A 49 13.468 -1.858 -1.113 1.00 0.00 C ATOM 689 C PRO A 49 13.375 -3.114 -1.987 1.00 0.00 C ATOM 690 O PRO A 49 14.331 -3.506 -2.626 1.00 0.00 O ATOM 691 CB PRO A 49 12.462 -1.904 0.034 1.00 0.00 C ATOM 692 CG PRO A 49 11.258 -1.171 -0.470 1.00 0.00 C ATOM 693 CD PRO A 49 11.744 -0.154 -1.470 1.00 0.00 C ATOM 0 HA PRO A 49 14.498 -1.813 -0.760 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.215 -2.932 0.300 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.864 -1.431 0.930 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.553 -1.861 -0.934 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.733 -0.683 0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.062 -0.069 -2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.824 0.837 -1.024 1.00 0.00 H new ATOM 701 N SER A 50 12.233 -3.743 -2.027 1.00 0.00 N ATOM 702 CA SER A 50 12.086 -4.968 -2.870 1.00 0.00 C ATOM 703 C SER A 50 12.949 -6.104 -2.320 1.00 0.00 C ATOM 704 O SER A 50 13.303 -7.025 -3.027 1.00 0.00 O ATOM 705 CB SER A 50 12.581 -4.554 -4.250 1.00 0.00 C ATOM 706 OG SER A 50 11.846 -5.252 -5.246 1.00 0.00 O ATOM 0 H SER A 50 11.396 -3.465 -1.515 1.00 0.00 H new ATOM 0 HA SER A 50 11.058 -5.331 -2.889 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.463 -3.479 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.644 -4.773 -4.347 1.00 0.00 H new ATOM 0 HG SER A 50 12.163 -4.985 -6.134 1.00 0.00 H new ATOM 712 N LYS A 51 13.291 -6.040 -1.067 1.00 0.00 N ATOM 713 CA LYS A 51 14.133 -7.115 -0.465 1.00 0.00 C ATOM 714 C LYS A 51 13.261 -8.306 -0.047 1.00 0.00 C ATOM 715 O LYS A 51 13.149 -8.626 1.119 1.00 0.00 O ATOM 716 CB LYS A 51 14.779 -6.469 0.761 1.00 0.00 C ATOM 717 CG LYS A 51 16.248 -6.889 0.844 1.00 0.00 C ATOM 718 CD LYS A 51 17.139 -5.648 0.770 1.00 0.00 C ATOM 719 CE LYS A 51 17.680 -5.491 -0.653 1.00 0.00 C ATOM 720 NZ LYS A 51 18.927 -4.691 -0.502 1.00 0.00 N ATOM 0 H LYS A 51 13.025 -5.290 -0.429 1.00 0.00 H new ATOM 0 HA LYS A 51 14.875 -7.498 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.703 -5.384 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.251 -6.772 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.431 -7.426 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.489 -7.572 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.571 -4.762 1.054 1.00 0.00 H new ATOM 0 HD3 LYS A 51 17.964 -5.737 1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 51 17.885 -6.460 -1.107 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.960 -4.984 -1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 19.358 -4.540 -1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.700 -3.771 -0.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.595 -5.202 0.109 1.00 0.00 H new ATOM 734 N LYS A 52 12.647 -8.965 -0.992 1.00 0.00 N ATOM 735 CA LYS A 52 11.788 -10.134 -0.659 1.00 0.00 C ATOM 736 C LYS A 52 11.389 -10.852 -1.950 1.00 0.00 C ATOM 737 O LYS A 52 10.533 -10.393 -2.679 1.00 0.00 O ATOM 738 CB LYS A 52 10.561 -9.547 0.039 1.00 0.00 C ATOM 739 CG LYS A 52 10.539 -10.003 1.500 1.00 0.00 C ATOM 740 CD LYS A 52 10.854 -8.816 2.413 1.00 0.00 C ATOM 741 CE LYS A 52 11.871 -9.243 3.474 1.00 0.00 C ATOM 742 NZ LYS A 52 12.151 -8.007 4.257 1.00 0.00 N ATOM 0 H LYS A 52 12.705 -8.741 -1.986 1.00 0.00 H new ATOM 0 HA LYS A 52 12.293 -10.862 -0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.586 -8.459 -0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.652 -9.870 -0.468 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.561 -10.416 1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.269 -10.797 1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.251 -7.988 1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.942 -8.459 2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.470 -10.032 4.111 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.779 -9.634 3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.841 -8.219 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.538 -7.276 3.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.269 -7.661 4.687 1.00 0.00 H new ATOM 756 N PRO A 53 12.043 -11.953 -2.192 1.00 0.00 N ATOM 757 CA PRO A 53 11.785 -12.758 -3.418 1.00 0.00 C ATOM 758 C PRO A 53 10.374 -13.373 -3.449 1.00 0.00 C ATOM 759 O PRO A 53 10.044 -14.112 -4.356 1.00 0.00 O ATOM 760 CB PRO A 53 12.858 -13.842 -3.357 1.00 0.00 C ATOM 761 CG PRO A 53 13.210 -13.945 -1.910 1.00 0.00 C ATOM 762 CD PRO A 53 13.087 -12.553 -1.356 1.00 0.00 C ATOM 0 HA PRO A 53 11.828 -12.149 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.485 -14.791 -3.742 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.727 -13.574 -3.958 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.540 -14.632 -1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.222 -14.329 -1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.805 -12.562 -0.303 1.00 0.00 H new ATOM 0 HD3 PRO A 53 14.027 -12.005 -1.430 1.00 0.00 H new ATOM 770 N TYR A 54 9.533 -13.082 -2.492 1.00 0.00 N ATOM 771 CA TYR A 54 8.155 -13.666 -2.519 1.00 0.00 C ATOM 772 C TYR A 54 7.109 -12.548 -2.512 1.00 0.00 C ATOM 773 O TYR A 54 5.920 -12.797 -2.541 1.00 0.00 O ATOM 774 CB TYR A 54 8.012 -14.542 -1.259 1.00 0.00 C ATOM 775 CG TYR A 54 9.019 -14.142 -0.205 1.00 0.00 C ATOM 776 CD1 TYR A 54 10.372 -14.442 -0.390 1.00 0.00 C ATOM 777 CD2 TYR A 54 8.601 -13.474 0.951 1.00 0.00 C ATOM 778 CE1 TYR A 54 11.308 -14.074 0.578 1.00 0.00 C ATOM 779 CE2 TYR A 54 9.538 -13.105 1.922 1.00 0.00 C ATOM 780 CZ TYR A 54 10.893 -13.404 1.735 1.00 0.00 C ATOM 781 OH TYR A 54 11.818 -13.041 2.693 1.00 0.00 O ATOM 0 H TYR A 54 9.735 -12.472 -1.700 1.00 0.00 H new ATOM 0 HA TYR A 54 8.000 -14.258 -3.421 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.003 -14.447 -0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.153 -15.590 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.693 -14.959 -1.282 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.556 -13.243 1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.353 -14.306 0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.216 -12.590 2.815 1.00 0.00 H new ATOM 0 HH TYR A 54 11.363 -12.584 3.431 1.00 0.00 H new ATOM 791 N GLU A 55 7.541 -11.317 -2.481 1.00 0.00 N ATOM 792 CA GLU A 55 6.567 -10.187 -2.480 1.00 0.00 C ATOM 793 C GLU A 55 6.747 -9.333 -3.738 1.00 0.00 C ATOM 794 O GLU A 55 7.541 -9.644 -4.604 1.00 0.00 O ATOM 795 CB GLU A 55 6.901 -9.371 -1.231 1.00 0.00 C ATOM 796 CG GLU A 55 5.920 -9.724 -0.111 1.00 0.00 C ATOM 797 CD GLU A 55 6.432 -10.947 0.652 1.00 0.00 C ATOM 798 OE1 GLU A 55 7.248 -10.768 1.540 1.00 0.00 O ATOM 799 OE2 GLU A 55 5.998 -12.043 0.335 1.00 0.00 O ATOM 0 H GLU A 55 8.524 -11.044 -2.456 1.00 0.00 H new ATOM 0 HA GLU A 55 5.534 -10.536 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.923 -9.577 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.846 -8.306 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.809 -8.879 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.934 -9.929 -0.528 1.00 0.00 H new ATOM 806 N GLU A 56 6.016 -8.257 -3.843 1.00 0.00 N ATOM 807 CA GLU A 56 6.145 -7.381 -5.043 1.00 0.00 C ATOM 808 C GLU A 56 5.943 -5.916 -4.647 1.00 0.00 C ATOM 809 O GLU A 56 4.852 -5.499 -4.313 1.00 0.00 O ATOM 810 CB GLU A 56 5.034 -7.838 -5.989 1.00 0.00 C ATOM 811 CG GLU A 56 5.167 -7.104 -7.325 1.00 0.00 C ATOM 812 CD GLU A 56 3.776 -6.788 -7.878 1.00 0.00 C ATOM 813 OE1 GLU A 56 2.844 -6.743 -7.092 1.00 0.00 O ATOM 814 OE2 GLU A 56 3.667 -6.596 -9.078 1.00 0.00 O ATOM 0 H GLU A 56 5.335 -7.946 -3.150 1.00 0.00 H new ATOM 0 HA GLU A 56 7.129 -7.455 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.096 -8.915 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.059 -7.636 -5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.734 -6.183 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.721 -7.718 -8.035 1.00 0.00 H new ATOM 821 N VAL A 57 6.986 -5.133 -4.678 1.00 0.00 N ATOM 822 CA VAL A 57 6.846 -3.698 -4.298 1.00 0.00 C ATOM 823 C VAL A 57 7.225 -2.794 -5.475 1.00 0.00 C ATOM 824 O VAL A 57 7.727 -3.247 -6.485 1.00 0.00 O ATOM 825 CB VAL A 57 7.811 -3.503 -3.131 1.00 0.00 C ATOM 826 CG1 VAL A 57 9.191 -4.015 -3.525 1.00 0.00 C ATOM 827 CG2 VAL A 57 7.900 -2.016 -2.780 1.00 0.00 C ATOM 0 H VAL A 57 7.926 -5.423 -4.949 1.00 0.00 H new ATOM 0 HA VAL A 57 5.822 -3.441 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 57 7.449 -4.057 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.882 -3.877 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.129 -5.075 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.551 -3.460 -4.392 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.589 -1.879 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.261 -1.459 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.913 -1.649 -2.498 1.00 0.00 H new ATOM 837 N THR A 58 6.988 -1.517 -5.349 1.00 0.00 N ATOM 838 CA THR A 58 7.330 -0.574 -6.446 1.00 0.00 C ATOM 839 C THR A 58 7.857 0.724 -5.842 1.00 0.00 C ATOM 840 O THR A 58 8.150 0.792 -4.665 1.00 0.00 O ATOM 841 CB THR A 58 6.018 -0.334 -7.193 1.00 0.00 C ATOM 842 OG1 THR A 58 5.164 -1.456 -7.018 1.00 0.00 O ATOM 843 CG2 THR A 58 6.306 -0.137 -8.682 1.00 0.00 C ATOM 0 H THR A 58 6.569 -1.085 -4.526 1.00 0.00 H new ATOM 0 HA THR A 58 8.099 -0.961 -7.114 1.00 0.00 H new ATOM 0 HB THR A 58 5.532 0.558 -6.798 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.394 -1.377 -7.619 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.370 0.034 -9.214 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.962 0.724 -8.815 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.792 -1.028 -9.080 1.00 0.00 H new ATOM 851 N CYS A 59 7.976 1.757 -6.624 1.00 0.00 N ATOM 852 CA CYS A 59 8.486 3.037 -6.062 1.00 0.00 C ATOM 853 C CYS A 59 7.743 4.234 -6.626 1.00 0.00 C ATOM 854 O CYS A 59 6.791 4.118 -7.372 1.00 0.00 O ATOM 855 CB CYS A 59 9.930 3.136 -6.523 1.00 0.00 C ATOM 856 SG CYS A 59 11.042 2.625 -5.192 1.00 0.00 S ATOM 0 H CYS A 59 7.745 1.773 -7.617 1.00 0.00 H new ATOM 0 HA CYS A 59 8.364 3.043 -4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.085 2.506 -7.399 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.155 4.159 -6.823 1.00 0.00 H new ATOM 861 N CYS A 60 8.228 5.389 -6.291 1.00 0.00 N ATOM 862 CA CYS A 60 7.637 6.643 -6.809 1.00 0.00 C ATOM 863 C CYS A 60 8.625 7.792 -6.613 1.00 0.00 C ATOM 864 O CYS A 60 9.385 7.804 -5.670 1.00 0.00 O ATOM 865 CB CYS A 60 6.365 6.887 -5.984 1.00 0.00 C ATOM 866 SG CYS A 60 6.307 8.620 -5.418 1.00 0.00 S ATOM 0 H CYS A 60 9.025 5.519 -5.668 1.00 0.00 H new ATOM 0 HA CYS A 60 7.409 6.576 -7.873 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.484 6.663 -6.585 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.344 6.215 -5.126 1.00 0.00 H new ATOM 871 N SER A 61 8.576 8.781 -7.459 1.00 0.00 N ATOM 872 CA SER A 61 9.484 9.943 -7.284 1.00 0.00 C ATOM 873 C SER A 61 8.686 11.258 -7.307 1.00 0.00 C ATOM 874 O SER A 61 9.252 12.329 -7.399 1.00 0.00 O ATOM 875 CB SER A 61 10.447 9.875 -8.467 1.00 0.00 C ATOM 876 OG SER A 61 9.789 10.343 -9.637 1.00 0.00 O ATOM 0 H SER A 61 7.948 8.834 -8.261 1.00 0.00 H new ATOM 0 HA SER A 61 10.009 9.914 -6.329 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.331 10.481 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.789 8.851 -8.614 1.00 0.00 H new ATOM 0 HG SER A 61 10.406 10.302 -10.398 1.00 0.00 H new ATOM 882 N THR A 62 7.376 11.192 -7.229 1.00 0.00 N ATOM 883 CA THR A 62 6.568 12.452 -7.252 1.00 0.00 C ATOM 884 C THR A 62 5.486 12.427 -6.162 1.00 0.00 C ATOM 885 O THR A 62 5.433 11.528 -5.347 1.00 0.00 O ATOM 886 CB THR A 62 5.924 12.491 -8.642 1.00 0.00 C ATOM 887 OG1 THR A 62 6.353 11.367 -9.401 1.00 0.00 O ATOM 888 CG2 THR A 62 6.333 13.778 -9.360 1.00 0.00 C ATOM 0 H THR A 62 6.838 10.329 -7.151 1.00 0.00 H new ATOM 0 HA THR A 62 7.185 13.330 -7.060 1.00 0.00 H new ATOM 0 HB THR A 62 4.839 12.463 -8.537 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.938 11.394 -10.288 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.874 13.805 -10.348 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.999 14.639 -8.782 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.418 13.809 -9.462 1.00 0.00 H new ATOM 896 N ASP A 63 4.623 13.412 -6.144 1.00 0.00 N ATOM 897 CA ASP A 63 3.542 13.452 -5.111 1.00 0.00 C ATOM 898 C ASP A 63 2.302 12.710 -5.619 1.00 0.00 C ATOM 899 O ASP A 63 2.164 12.469 -6.802 1.00 0.00 O ATOM 900 CB ASP A 63 3.237 14.937 -4.914 1.00 0.00 C ATOM 901 CG ASP A 63 4.311 15.565 -4.025 1.00 0.00 C ATOM 902 OD1 ASP A 63 4.246 15.370 -2.823 1.00 0.00 O ATOM 903 OD2 ASP A 63 5.181 16.231 -4.562 1.00 0.00 O ATOM 0 H ASP A 63 4.620 14.192 -6.801 1.00 0.00 H new ATOM 0 HA ASP A 63 3.841 12.972 -4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.206 15.444 -5.879 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.255 15.060 -4.458 1.00 0.00 H new ATOM 908 N LYS A 64 1.405 12.334 -4.737 1.00 0.00 N ATOM 909 CA LYS A 64 0.185 11.591 -5.183 1.00 0.00 C ATOM 910 C LYS A 64 0.599 10.564 -6.233 1.00 0.00 C ATOM 911 O LYS A 64 -0.131 10.241 -7.149 1.00 0.00 O ATOM 912 CB LYS A 64 -0.737 12.651 -5.786 1.00 0.00 C ATOM 913 CG LYS A 64 -0.830 13.845 -4.834 1.00 0.00 C ATOM 914 CD LYS A 64 -2.278 14.333 -4.766 1.00 0.00 C ATOM 915 CE LYS A 64 -2.831 14.094 -3.360 1.00 0.00 C ATOM 916 NZ LYS A 64 -4.300 13.941 -3.545 1.00 0.00 N ATOM 0 H LYS A 64 1.465 12.509 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.314 11.058 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.354 12.973 -6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.728 12.231 -5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.485 13.559 -3.841 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.180 14.649 -5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.328 15.394 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.886 13.806 -5.502 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.395 13.202 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.601 14.929 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.750 13.774 -2.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.689 14.808 -3.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.489 13.134 -4.174 1.00 0.00 H new ATOM 930 N CYS A 65 1.794 10.081 -6.096 1.00 0.00 N ATOM 931 CA CYS A 65 2.352 9.091 -7.059 1.00 0.00 C ATOM 932 C CYS A 65 2.021 7.659 -6.636 1.00 0.00 C ATOM 933 O CYS A 65 2.528 6.707 -7.197 1.00 0.00 O ATOM 934 CB CYS A 65 3.848 9.311 -6.966 1.00 0.00 C ATOM 935 SG CYS A 65 4.352 9.014 -5.259 1.00 0.00 S ATOM 0 H CYS A 65 2.428 10.335 -5.338 1.00 0.00 H new ATOM 0 HA CYS A 65 1.948 9.220 -8.063 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.375 8.637 -7.641 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.103 10.327 -7.267 1.00 0.00 H new ATOM 940 N ASN A 66 1.179 7.490 -5.655 1.00 0.00 N ATOM 941 CA ASN A 66 0.831 6.109 -5.213 1.00 0.00 C ATOM 942 C ASN A 66 -0.646 5.779 -5.519 1.00 0.00 C ATOM 943 O ASN A 66 -1.297 5.126 -4.730 1.00 0.00 O ATOM 944 CB ASN A 66 1.070 6.117 -3.700 1.00 0.00 C ATOM 945 CG ASN A 66 2.455 5.548 -3.392 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.712 5.112 -2.287 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.372 5.546 -4.320 1.00 0.00 N ATOM 0 H ASN A 66 0.719 8.242 -5.142 1.00 0.00 H new ATOM 0 HA ASN A 66 1.426 5.356 -5.730 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.991 7.134 -3.315 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.304 5.526 -3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.302 5.179 -4.117 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.159 5.911 -5.248 1.00 0.00 H new ATOM 954 N PRO A 67 -1.141 6.246 -6.646 1.00 0.00 N ATOM 955 CA PRO A 67 -2.558 5.987 -7.011 1.00 0.00 C ATOM 956 C PRO A 67 -2.760 4.548 -7.498 1.00 0.00 C ATOM 957 O PRO A 67 -2.498 4.229 -8.640 1.00 0.00 O ATOM 958 CB PRO A 67 -2.820 6.961 -8.154 1.00 0.00 C ATOM 959 CG PRO A 67 -1.479 7.213 -8.761 1.00 0.00 C ATOM 960 CD PRO A 67 -0.457 7.047 -7.669 1.00 0.00 C ATOM 0 HA PRO A 67 -3.229 6.117 -6.162 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.510 6.537 -8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.269 7.885 -7.790 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.288 6.514 -9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.431 8.217 -9.184 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.437 6.543 -8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.140 8.011 -7.272 1.00 0.00 H new ATOM 968 N HIS A 68 -3.253 3.687 -6.653 1.00 0.00 N ATOM 969 CA HIS A 68 -3.504 2.282 -7.085 1.00 0.00 C ATOM 970 C HIS A 68 -4.978 2.154 -7.472 1.00 0.00 C ATOM 971 O HIS A 68 -5.728 3.089 -7.290 1.00 0.00 O ATOM 972 CB HIS A 68 -3.163 1.422 -5.858 1.00 0.00 C ATOM 973 CG HIS A 68 -4.308 1.397 -4.878 1.00 0.00 C ATOM 974 ND1 HIS A 68 -5.367 0.505 -4.987 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.560 2.138 -3.752 1.00 0.00 C ATOM 976 CE1 HIS A 68 -6.198 0.736 -3.955 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.753 1.720 -3.170 1.00 0.00 N ATOM 0 H HIS A 68 -3.493 3.894 -5.683 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.912 1.974 -7.947 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.930 0.406 -6.176 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.271 1.816 -5.370 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -5.492 -0.197 -5.716 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.928 2.927 -3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -7.114 0.191 -3.782 1.00 0.00 H new ATOM 985 N PRO A 69 -5.365 1.011 -7.978 1.00 0.00 N ATOM 986 CA PRO A 69 -6.785 0.814 -8.354 1.00 0.00 C ATOM 987 C PRO A 69 -7.619 0.872 -7.086 1.00 0.00 C ATOM 988 O PRO A 69 -7.886 -0.125 -6.444 1.00 0.00 O ATOM 989 CB PRO A 69 -6.801 -0.568 -9.005 1.00 0.00 C ATOM 990 CG PRO A 69 -5.600 -1.259 -8.446 1.00 0.00 C ATOM 991 CD PRO A 69 -4.560 -0.188 -8.237 1.00 0.00 C ATOM 0 HA PRO A 69 -7.193 1.564 -9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.717 -1.109 -8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -6.748 -0.496 -10.091 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.840 -1.758 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.238 -2.026 -9.131 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -3.903 -0.422 -7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.925 -0.066 -9.115 1.00 0.00 H new ATOM 999 N LYS A 70 -7.999 2.055 -6.707 1.00 0.00 N ATOM 1000 CA LYS A 70 -8.778 2.231 -5.465 1.00 0.00 C ATOM 1001 C LYS A 70 -10.239 1.844 -5.676 1.00 0.00 C ATOM 1002 O LYS A 70 -10.630 0.713 -5.469 1.00 0.00 O ATOM 1003 CB LYS A 70 -8.655 3.723 -5.148 1.00 0.00 C ATOM 1004 CG LYS A 70 -7.193 4.077 -4.874 1.00 0.00 C ATOM 1005 CD LYS A 70 -7.127 5.358 -4.041 1.00 0.00 C ATOM 1006 CE LYS A 70 -7.403 6.565 -4.941 1.00 0.00 C ATOM 1007 NZ LYS A 70 -8.867 6.809 -4.819 1.00 0.00 N ATOM 0 H LYS A 70 -7.798 2.917 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.412 1.600 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.031 4.314 -5.983 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.267 3.971 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.703 3.260 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.658 4.214 -5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.858 5.318 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.145 5.453 -3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.830 7.435 -4.621 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.122 6.360 -5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.280 6.925 -5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.315 6.000 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.030 7.672 -4.262 1.00 0.00 H new ATOM 1021 N GLN A 71 -11.052 2.783 -6.061 1.00 0.00 N ATOM 1022 CA GLN A 71 -12.495 2.484 -6.255 1.00 0.00 C ATOM 1023 C GLN A 71 -12.806 2.272 -7.741 1.00 0.00 C ATOM 1024 O GLN A 71 -13.920 2.468 -8.185 1.00 0.00 O ATOM 1025 CB GLN A 71 -13.225 3.719 -5.721 1.00 0.00 C ATOM 1026 CG GLN A 71 -12.684 4.977 -6.404 1.00 0.00 C ATOM 1027 CD GLN A 71 -12.072 5.908 -5.353 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -11.258 5.421 -4.452 1.00 0.00 O flip ATOM 1029 NE2 GLN A 71 -12.337 7.093 -5.350 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.779 3.747 -6.250 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.800 1.572 -5.741 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.296 3.627 -5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.091 3.794 -4.642 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.933 4.706 -7.146 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.487 5.489 -6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.971 7.476 -6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.925 7.706 -4.646 1.00 0.00 H new ATOM 1104 N ARG B 2 -11.430 -2.739 1.273 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.941 -2.720 1.271 1.00 0.00 C ATOM 1106 C ARG B 2 -9.417 -1.875 0.125 1.00 0.00 C ATOM 1107 O ARG B 2 -10.119 -1.580 -0.821 1.00 0.00 O ATOM 1108 CB ARG B 2 -9.517 -4.175 1.039 1.00 0.00 C ATOM 1109 CG ARG B 2 -8.788 -4.698 2.278 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.367 -4.128 2.309 1.00 0.00 C ATOM 1111 NE ARG B 2 -6.585 -5.085 3.140 1.00 0.00 N ATOM 1112 CZ ARG B 2 -5.664 -4.642 3.952 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -5.925 -3.645 4.753 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -4.482 -5.194 3.963 1.00 0.00 N ATOM 0 HA ARG B 2 -9.553 -2.304 2.201 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -10.392 -4.791 0.832 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -8.867 -4.241 0.167 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -9.327 -4.409 3.180 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.755 -5.787 2.261 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.952 -4.048 1.304 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.353 -3.127 2.741 1.00 0.00 H new ATOM 0 HE ARG B 2 -6.769 -6.086 3.075 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.849 -3.212 4.744 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -5.205 -3.299 5.388 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -4.277 -5.972 3.337 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -3.763 -4.847 4.598 1.00 0.00 H new ATOM 1128 N TYR B 3 -8.162 -1.548 0.162 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.574 -0.802 -0.973 1.00 0.00 C ATOM 1130 C TYR B 3 -6.897 -1.858 -1.817 1.00 0.00 C ATOM 1131 O TYR B 3 -5.787 -1.702 -2.287 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.531 0.179 -0.422 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.678 0.358 1.071 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -7.622 1.255 1.586 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -5.849 -0.362 1.936 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -7.736 1.429 2.968 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -5.961 -0.186 3.320 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.904 0.711 3.837 1.00 0.00 C ATOM 1139 OH TYR B 3 -7.015 0.885 5.202 1.00 0.00 O ATOM 0 H TYR B 3 -7.521 -1.764 0.925 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.309 -0.235 -1.544 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.530 -0.186 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.639 1.144 -0.918 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -8.261 1.811 0.916 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -5.122 -1.054 1.537 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -8.466 2.118 3.367 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -5.321 -0.742 3.989 1.00 0.00 H new ATOM 0 HH TYR B 3 -6.365 0.311 5.659 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.569 -2.963 -1.973 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.995 -4.081 -2.740 1.00 0.00 C ATOM 1151 C TYR B 4 -6.840 -3.673 -4.191 1.00 0.00 C ATOM 1152 O TYR B 4 -6.893 -2.511 -4.541 1.00 0.00 O ATOM 1153 CB TYR B 4 -8.049 -5.187 -2.642 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.484 -6.413 -1.970 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.819 -6.304 -0.745 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.646 -7.668 -2.570 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -6.313 -7.450 -0.120 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -7.139 -8.814 -1.947 1.00 0.00 C ATOM 1159 CZ TYR B 4 -6.473 -8.705 -0.722 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.974 -9.835 -0.107 1.00 0.00 O ATOM 0 H TYR B 4 -8.501 -3.133 -1.594 1.00 0.00 H new ATOM 0 HA TYR B 4 -6.018 -4.388 -2.367 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.911 -4.825 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -8.404 -5.446 -3.640 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.696 -5.336 -0.281 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -8.163 -7.752 -3.515 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.799 -7.367 0.826 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -7.262 -9.781 -2.412 1.00 0.00 H new ATOM 0 HH TYR B 4 -6.172 -10.621 -0.657 1.00 0.00 H new ATOM 1170 N GLU B 5 -6.655 -4.628 -5.029 1.00 0.00 N ATOM 1171 CA GLU B 5 -6.500 -4.324 -6.478 1.00 0.00 C ATOM 1172 C GLU B 5 -7.866 -4.361 -7.171 1.00 0.00 C ATOM 1173 O GLU B 5 -8.017 -4.914 -8.242 1.00 0.00 O ATOM 1174 CB GLU B 5 -5.579 -5.415 -7.016 1.00 0.00 C ATOM 1175 CG GLU B 5 -5.267 -5.140 -8.487 1.00 0.00 C ATOM 1176 CD GLU B 5 -3.932 -4.401 -8.593 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -3.692 -3.531 -7.771 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -3.171 -4.718 -9.492 1.00 0.00 O ATOM 0 H GLU B 5 -6.602 -5.617 -4.784 1.00 0.00 H new ATOM 0 HA GLU B 5 -6.087 -3.331 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -4.656 -5.445 -6.437 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -6.053 -6.391 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.222 -6.077 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -6.062 -4.543 -8.934 1.00 0.00 H new ATOM 1185 N SER B 6 -8.863 -3.771 -6.563 1.00 0.00 N ATOM 1186 CA SER B 6 -10.222 -3.765 -7.179 1.00 0.00 C ATOM 1187 C SER B 6 -11.255 -3.222 -6.184 1.00 0.00 C ATOM 1188 O SER B 6 -12.383 -3.672 -6.139 1.00 0.00 O ATOM 1189 CB SER B 6 -10.515 -5.228 -7.512 1.00 0.00 C ATOM 1190 OG SER B 6 -11.920 -5.416 -7.614 1.00 0.00 O ATOM 0 H SER B 6 -8.793 -3.293 -5.665 1.00 0.00 H new ATOM 0 HA SER B 6 -10.270 -3.129 -8.063 1.00 0.00 H new ATOM 0 HB2 SER B 6 -10.031 -5.503 -8.449 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.105 -5.878 -6.739 1.00 0.00 H new ATOM 0 HG SER B 6 -12.334 -5.274 -6.737 1.00 0.00 H new ATOM 1196 N SER B 7 -10.879 -2.259 -5.385 1.00 0.00 N ATOM 1197 CA SER B 7 -11.842 -1.689 -4.393 1.00 0.00 C ATOM 1198 C SER B 7 -11.109 -0.759 -3.422 1.00 0.00 C ATOM 1199 O SER B 7 -9.961 -0.976 -3.089 1.00 0.00 O ATOM 1200 CB SER B 7 -12.411 -2.897 -3.650 1.00 0.00 C ATOM 1201 OG SER B 7 -11.398 -3.885 -3.513 1.00 0.00 O ATOM 0 H SER B 7 -9.948 -1.842 -5.375 1.00 0.00 H new ATOM 0 HA SER B 7 -12.625 -1.100 -4.870 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.776 -2.596 -2.668 1.00 0.00 H new ATOM 0 HB3 SER B 7 -13.262 -3.306 -4.195 1.00 0.00 H new ATOM 0 HG SER B 7 -11.760 -4.660 -3.035 1.00 0.00 H new ATOM 1207 N LEU B 8 -11.759 0.280 -2.966 1.00 0.00 N ATOM 1208 CA LEU B 8 -11.087 1.219 -2.021 1.00 0.00 C ATOM 1209 C LEU B 8 -11.784 1.207 -0.659 1.00 0.00 C ATOM 1210 O LEU B 8 -12.881 1.705 -0.504 1.00 0.00 O ATOM 1211 CB LEU B 8 -11.213 2.599 -2.666 1.00 0.00 C ATOM 1212 CG LEU B 8 -10.101 3.512 -2.149 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -10.359 3.802 -0.676 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.736 2.825 -2.308 1.00 0.00 C ATOM 0 H LEU B 8 -12.721 0.518 -3.206 1.00 0.00 H new ATOM 0 HA LEU B 8 -10.048 0.940 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -11.150 2.511 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -12.187 3.031 -2.437 1.00 0.00 H new ATOM 0 HG LEU B 8 -10.092 4.440 -2.720 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.574 4.453 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -11.325 4.294 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -10.362 2.867 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.951 3.484 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.728 1.895 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.559 2.607 -3.361 1.00 0.00 H new