USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 591 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 58 THR OG1 : rot -129:sc= -0.145 USER MOD Set 1.2: A 71 GLN : amide:sc= -0.0888 K(o=-0.23,f=-5.8!) USER MOD Set 2.1: A 34 SER OG : rot -67:sc= 1.29 USER MOD Set 2.2: A 35 SER OG : rot 27:sc= 0.304 USER MOD Set 3.1: A 27 MET CE :methyl 165:sc= -2.83! (180deg=-3.26!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -158:sc= -0.0625 (180deg=-0.405) USER MOD Set 3.3: A 70 LYS NZ :NH3+ -121:sc= 1.16 (180deg=-0.177) USER MOD Set 4.1: A 5 THR OG1 : rot 162:sc= 1.55 USER MOD Set 4.2: A 24 TYR OH : rot 150:sc= -1.68! USER MOD Single : A 1 ILE N :NH3+ 148:sc= -0.756 (180deg=-1.57) USER MOD Single : A 4 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.9!) USER MOD Single : A 6 THR OG1 : rot 172:sc= 0.995 USER MOD Single : A 8 THR OG1 : rot -12:sc= 0.542 USER MOD Single : A 9 SER OG : rot 76:sc= 0.00341 USER MOD Single : A 12 SER OG : rot -42:sc= -0.57 USER MOD Single : A 15 THR OG1 : rot 50:sc= 0.115 USER MOD Single : A 21 ASN : amide:sc= 0.451 K(o=0.45,f=-3.1!) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.077) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00563 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 146:sc= 0.133 (180deg=0) USER MOD Single : A 54 TYR OH : rot 19:sc= 0.922 USER MOD Single : A 61 SER OG : rot 180:sc= 0.142 USER MOD Single : A 62 THR OG1 : rot 170:sc= -0.624 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -7.21! C(o=-8!,f=-7.2!) USER MOD Single : A 68 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-4.6!) USER MOD Single : B 75 LYS NZ :NH3+ 130:sc=0.000633 (180deg=-0.0474) USER MOD Single : B 76 HIS : no HD1:sc= -2.43! C(o=-2.4!,f=-5!) USER MOD Single : B 79 TYR OH : rot 180:sc= -0.0162 USER MOD Single : B 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.088 11.957 -3.952 1.00 0.00 N ATOM 2 CA ILE A 1 -1.666 10.549 -4.149 1.00 0.00 C ATOM 3 C ILE A 1 -2.864 9.619 -4.422 1.00 0.00 C ATOM 4 O ILE A 1 -3.482 9.040 -3.529 1.00 0.00 O ATOM 5 CB ILE A 1 -0.723 10.157 -2.998 1.00 0.00 C ATOM 6 CG1 ILE A 1 0.589 10.967 -3.012 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.442 8.655 -2.828 1.00 0.00 C ATOM 8 CD1 ILE A 1 1.373 10.946 -4.333 1.00 0.00 C ATOM 0 H1 ILE A 1 -1.443 12.422 -3.282 1.00 0.00 H new ATOM 0 H2 ILE A 1 -2.061 12.458 -4.863 1.00 0.00 H new ATOM 0 H3 ILE A 1 -3.056 11.979 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.083 10.431 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.299 10.427 -2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 1 0.357 12.003 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 1 1.236 10.588 -2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 1 0.234 8.504 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.378 8.129 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 1 0.017 8.266 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.276 11.547 -4.230 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.646 9.920 -4.578 1.00 0.00 H new ATOM 0 HD13 ILE A 1 0.753 11.356 -5.130 1.00 0.00 H new ATOM 22 N VAL A 2 -3.191 9.577 -5.715 1.00 0.00 N ATOM 23 CA VAL A 2 -4.344 8.814 -6.252 1.00 0.00 C ATOM 24 C VAL A 2 -3.896 7.451 -6.758 1.00 0.00 C ATOM 25 O VAL A 2 -3.588 7.263 -7.933 1.00 0.00 O ATOM 26 CB VAL A 2 -5.141 9.521 -7.375 1.00 0.00 C ATOM 27 CG1 VAL A 2 -6.523 9.935 -6.858 1.00 0.00 C ATOM 28 CG2 VAL A 2 -4.427 10.645 -8.115 1.00 0.00 C ATOM 0 H VAL A 2 -2.664 10.073 -6.434 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.023 8.722 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.252 8.772 -8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.076 10.432 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.070 9.050 -6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.407 10.618 -6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.090 11.058 -8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.152 11.428 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.528 10.254 -8.591 1.00 0.00 H new ATOM 38 N CYS A 3 -3.736 6.543 -5.798 1.00 0.00 N ATOM 39 CA CYS A 3 -3.375 5.155 -6.089 1.00 0.00 C ATOM 40 C CYS A 3 -4.326 4.224 -5.311 1.00 0.00 C ATOM 41 O CYS A 3 -5.507 4.527 -5.161 1.00 0.00 O ATOM 42 CB CYS A 3 -1.893 4.945 -5.761 1.00 0.00 C ATOM 43 SG CYS A 3 -0.645 5.744 -6.817 1.00 0.00 S ATOM 0 H CYS A 3 -3.851 6.744 -4.805 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.494 4.916 -7.146 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.729 5.286 -4.739 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.700 3.872 -5.774 1.00 0.00 H new ATOM 48 N HIS A 4 -3.786 3.159 -4.744 1.00 0.00 N ATOM 49 CA HIS A 4 -4.508 2.145 -3.967 1.00 0.00 C ATOM 50 C HIS A 4 -4.704 2.556 -2.499 1.00 0.00 C ATOM 51 O HIS A 4 -4.460 1.838 -1.537 1.00 0.00 O ATOM 52 CB HIS A 4 -3.661 0.877 -4.125 1.00 0.00 C ATOM 53 CG HIS A 4 -3.884 0.357 -5.548 1.00 0.00 C ATOM 54 ND1 HIS A 4 -5.087 0.018 -6.014 1.00 0.00 N ATOM 55 CD2 HIS A 4 -3.174 0.745 -6.604 1.00 0.00 C ATOM 56 CE1 HIS A 4 -5.148 0.298 -7.307 1.00 0.00 C ATOM 57 NE2 HIS A 4 -3.952 0.730 -7.686 1.00 0.00 N ATOM 0 H HIS A 4 -2.788 2.961 -4.811 1.00 0.00 H new ATOM 0 HA HIS A 4 -5.527 1.999 -4.325 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.607 1.095 -3.956 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.952 0.126 -3.391 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.132 1.028 -6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -6.017 0.193 -7.940 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -3.679 1.001 -8.631 1.00 0.00 H new ATOM 65 N THR A 5 -5.324 3.724 -2.360 1.00 0.00 N ATOM 66 CA THR A 5 -5.471 4.400 -1.064 1.00 0.00 C ATOM 67 C THR A 5 -6.438 3.678 -0.152 1.00 0.00 C ATOM 68 O THR A 5 -7.537 3.251 -0.501 1.00 0.00 O ATOM 69 CB THR A 5 -5.780 5.882 -1.263 1.00 0.00 C ATOM 70 OG1 THR A 5 -4.579 6.457 -1.776 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.230 6.651 -0.028 1.00 0.00 C ATOM 0 H THR A 5 -5.741 4.233 -3.140 1.00 0.00 H new ATOM 0 HA THR A 5 -4.518 4.357 -0.537 1.00 0.00 H new ATOM 0 HB THR A 5 -6.639 5.954 -1.930 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.782 7.319 -2.196 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.419 7.691 -0.296 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.144 6.206 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.450 6.608 0.732 1.00 0.00 H new ATOM 79 N THR A 6 -5.793 3.317 0.942 1.00 0.00 N ATOM 80 CA THR A 6 -6.500 2.771 2.119 1.00 0.00 C ATOM 81 C THR A 6 -6.706 3.791 3.244 1.00 0.00 C ATOM 82 O THR A 6 -7.294 3.447 4.258 1.00 0.00 O ATOM 83 CB THR A 6 -5.866 1.499 2.681 1.00 0.00 C ATOM 84 OG1 THR A 6 -4.585 1.813 3.228 1.00 0.00 O ATOM 85 CG2 THR A 6 -5.809 0.381 1.653 1.00 0.00 C ATOM 0 H THR A 6 -4.782 3.386 1.054 1.00 0.00 H new ATOM 0 HA THR A 6 -7.482 2.509 1.724 1.00 0.00 H new ATOM 0 HB THR A 6 -6.497 1.115 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.234 1.033 3.707 1.00 0.00 H new ATOM 0 HG21 THR A 6 -5.351 -0.501 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.819 0.138 1.324 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.216 0.704 0.797 1.00 0.00 H new ATOM 93 N ALA A 7 -6.450 5.073 2.953 1.00 0.00 N ATOM 94 CA ALA A 7 -6.731 6.176 3.894 1.00 0.00 C ATOM 95 C ALA A 7 -8.215 6.552 3.781 1.00 0.00 C ATOM 96 O ALA A 7 -8.660 7.239 2.865 1.00 0.00 O ATOM 97 CB ALA A 7 -5.817 7.371 3.593 1.00 0.00 C ATOM 0 H ALA A 7 -6.046 5.378 2.068 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.527 5.863 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.032 8.179 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.775 7.068 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.993 7.716 2.574 1.00 0.00 H new ATOM 103 N THR A 8 -8.966 5.791 4.576 1.00 0.00 N ATOM 104 CA THR A 8 -10.454 5.792 4.664 1.00 0.00 C ATOM 105 C THR A 8 -11.085 5.379 3.324 1.00 0.00 C ATOM 106 O THR A 8 -12.097 5.922 2.866 1.00 0.00 O ATOM 107 CB THR A 8 -10.995 7.122 5.245 1.00 0.00 C ATOM 108 OG1 THR A 8 -10.774 8.237 4.383 1.00 0.00 O ATOM 109 CG2 THR A 8 -10.345 7.405 6.608 1.00 0.00 C ATOM 0 H THR A 8 -8.546 5.117 5.216 1.00 0.00 H new ATOM 0 HA THR A 8 -10.762 5.031 5.381 1.00 0.00 H new ATOM 0 HB THR A 8 -12.073 6.998 5.352 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.151 7.982 3.671 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.732 8.342 7.008 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.577 6.593 7.297 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.264 7.481 6.487 1.00 0.00 H new ATOM 117 N SER A 9 -10.492 4.344 2.737 1.00 0.00 N ATOM 118 CA SER A 9 -10.872 3.829 1.402 1.00 0.00 C ATOM 119 C SER A 9 -10.483 2.346 1.230 1.00 0.00 C ATOM 120 O SER A 9 -9.387 1.967 1.618 1.00 0.00 O ATOM 121 CB SER A 9 -10.164 4.638 0.300 1.00 0.00 C ATOM 122 OG SER A 9 -10.401 6.035 0.424 1.00 0.00 O ATOM 0 H SER A 9 -9.726 3.827 3.169 1.00 0.00 H new ATOM 0 HA SER A 9 -11.954 3.927 1.319 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.092 4.448 0.344 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.509 4.298 -0.677 1.00 0.00 H new ATOM 0 HG SER A 9 -9.859 6.395 1.157 1.00 0.00 H new ATOM 128 N PRO A 10 -11.400 1.482 0.783 1.00 0.00 N ATOM 129 CA PRO A 10 -11.058 0.086 0.439 1.00 0.00 C ATOM 130 C PRO A 10 -10.301 -0.015 -0.898 1.00 0.00 C ATOM 131 O PRO A 10 -10.906 0.014 -1.963 1.00 0.00 O ATOM 132 CB PRO A 10 -12.386 -0.662 0.445 1.00 0.00 C ATOM 133 CG PRO A 10 -13.425 0.423 0.151 1.00 0.00 C ATOM 134 CD PRO A 10 -12.863 1.663 0.837 1.00 0.00 C ATOM 0 HA PRO A 10 -10.365 -0.354 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.405 -1.448 -0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.570 -1.140 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.547 0.580 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -14.405 0.156 0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.170 2.574 0.324 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.216 1.742 1.865 1.00 0.00 H new ATOM 142 N ILE A 11 -8.991 0.231 -0.791 1.00 0.00 N ATOM 143 CA ILE A 11 -7.986 0.128 -1.883 1.00 0.00 C ATOM 144 C ILE A 11 -8.465 0.943 -3.120 1.00 0.00 C ATOM 145 O ILE A 11 -8.499 0.490 -4.259 1.00 0.00 O ATOM 146 CB ILE A 11 -7.671 -1.350 -2.220 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.375 -2.172 -0.960 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.444 -1.440 -3.143 1.00 0.00 C ATOM 149 CD1 ILE A 11 -7.632 -3.674 -1.146 1.00 0.00 C ATOM 0 H ILE A 11 -8.572 0.521 0.093 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.045 0.565 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.555 -1.754 -2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.335 -2.021 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.991 -1.803 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.236 -2.485 -3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.645 -0.900 -4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.581 -0.998 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.404 -4.200 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.678 -3.835 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.997 -4.056 -1.945 1.00 0.00 H new ATOM 161 N SER A 12 -8.870 2.180 -2.837 1.00 0.00 N ATOM 162 CA SER A 12 -9.604 3.033 -3.788 1.00 0.00 C ATOM 163 C SER A 12 -8.738 4.237 -4.185 1.00 0.00 C ATOM 164 O SER A 12 -7.975 4.760 -3.375 1.00 0.00 O ATOM 165 CB SER A 12 -10.896 3.591 -3.191 1.00 0.00 C ATOM 166 OG SER A 12 -11.350 2.838 -2.063 1.00 0.00 O ATOM 0 H SER A 12 -8.700 2.628 -1.936 1.00 0.00 H new ATOM 0 HA SER A 12 -9.843 2.404 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.736 4.627 -2.891 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.673 3.597 -3.956 1.00 0.00 H new ATOM 0 HG SER A 12 -11.252 1.881 -2.248 1.00 0.00 H new ATOM 172 N ALA A 13 -8.870 4.627 -5.448 1.00 0.00 N ATOM 173 CA ALA A 13 -8.185 5.809 -6.003 1.00 0.00 C ATOM 174 C ALA A 13 -8.708 7.152 -5.442 1.00 0.00 C ATOM 175 O ALA A 13 -9.687 7.733 -5.912 1.00 0.00 O ATOM 176 CB ALA A 13 -8.169 5.724 -7.529 1.00 0.00 C ATOM 0 H ALA A 13 -9.455 4.137 -6.125 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.149 5.794 -5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.662 6.599 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.641 4.822 -7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.193 5.691 -7.902 1.00 0.00 H new ATOM 182 N VAL A 14 -8.169 7.436 -4.260 1.00 0.00 N ATOM 183 CA VAL A 14 -8.410 8.650 -3.448 1.00 0.00 C ATOM 184 C VAL A 14 -7.061 9.340 -3.177 1.00 0.00 C ATOM 185 O VAL A 14 -6.115 8.712 -2.693 1.00 0.00 O ATOM 186 CB VAL A 14 -9.146 8.267 -2.149 1.00 0.00 C ATOM 187 CG1 VAL A 14 -9.194 9.366 -1.086 1.00 0.00 C ATOM 188 CG2 VAL A 14 -10.572 7.779 -2.428 1.00 0.00 C ATOM 0 H VAL A 14 -7.515 6.797 -3.808 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.048 9.354 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.542 7.458 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.732 9.002 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.179 9.640 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.706 10.240 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.058 7.519 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.137 8.570 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.536 6.901 -3.073 1.00 0.00 H new ATOM 198 N THR A 15 -7.016 10.631 -3.488 1.00 0.00 N ATOM 199 CA THR A 15 -5.908 11.524 -3.092 1.00 0.00 C ATOM 200 C THR A 15 -5.945 11.752 -1.584 1.00 0.00 C ATOM 201 O THR A 15 -6.765 12.518 -1.081 1.00 0.00 O ATOM 202 CB THR A 15 -6.027 12.900 -3.793 1.00 0.00 C ATOM 203 OG1 THR A 15 -7.411 13.270 -3.856 1.00 0.00 O ATOM 204 CG2 THR A 15 -5.350 12.929 -5.159 1.00 0.00 C ATOM 0 H THR A 15 -7.746 11.100 -4.024 1.00 0.00 H new ATOM 0 HA THR A 15 -4.973 11.048 -3.386 1.00 0.00 H new ATOM 0 HB THR A 15 -5.488 13.641 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.817 13.169 -2.970 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.466 13.918 -5.602 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.289 12.705 -5.044 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.810 12.184 -5.809 1.00 0.00 H new ATOM 212 N CYS A 16 -5.158 10.917 -0.896 1.00 0.00 N ATOM 213 CA CYS A 16 -5.098 10.832 0.578 1.00 0.00 C ATOM 214 C CYS A 16 -4.645 12.111 1.303 1.00 0.00 C ATOM 215 O CYS A 16 -3.509 12.542 1.119 1.00 0.00 O ATOM 216 CB CYS A 16 -4.203 9.644 0.985 1.00 0.00 C ATOM 217 SG CYS A 16 -2.601 9.587 0.095 1.00 0.00 S ATOM 0 H CYS A 16 -4.526 10.262 -1.356 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.128 10.686 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.011 9.696 2.057 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.743 8.715 0.802 1.00 0.00 H new ATOM 222 N PRO A 17 -5.528 12.703 2.113 1.00 0.00 N ATOM 223 CA PRO A 17 -5.134 13.742 3.078 1.00 0.00 C ATOM 224 C PRO A 17 -4.084 13.268 4.100 1.00 0.00 C ATOM 225 O PRO A 17 -3.207 14.067 4.425 1.00 0.00 O ATOM 226 CB PRO A 17 -6.440 14.246 3.700 1.00 0.00 C ATOM 227 CG PRO A 17 -7.463 13.995 2.595 1.00 0.00 C ATOM 228 CD PRO A 17 -7.008 12.667 1.985 1.00 0.00 C ATOM 0 HA PRO A 17 -4.610 14.560 2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.689 13.703 4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.381 15.302 3.964 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.476 13.928 2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.462 14.797 1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -7.434 11.816 2.517 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.317 12.579 0.943 1.00 0.00 H new ATOM 236 N PRO A 18 -4.098 12.009 4.589 1.00 0.00 N ATOM 237 CA PRO A 18 -2.936 11.473 5.337 1.00 0.00 C ATOM 238 C PRO A 18 -1.859 10.949 4.381 1.00 0.00 C ATOM 239 O PRO A 18 -2.106 10.019 3.607 1.00 0.00 O ATOM 240 CB PRO A 18 -3.468 10.324 6.196 1.00 0.00 C ATOM 241 CG PRO A 18 -4.968 10.575 6.264 1.00 0.00 C ATOM 242 CD PRO A 18 -5.278 11.176 4.895 1.00 0.00 C ATOM 0 HA PRO A 18 -2.478 12.255 5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.246 9.355 5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.018 10.327 7.189 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.524 9.653 6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.227 11.258 7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.423 10.400 4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.191 11.772 4.919 1.00 0.00 H new ATOM 250 N GLY A 19 -0.753 11.688 4.333 1.00 0.00 N ATOM 251 CA GLY A 19 0.515 11.178 3.777 1.00 0.00 C ATOM 252 C GLY A 19 1.182 12.152 2.803 1.00 0.00 C ATOM 253 O GLY A 19 0.764 13.294 2.625 1.00 0.00 O ATOM 0 H GLY A 19 -0.701 12.648 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.203 10.964 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.326 10.235 3.265 1.00 0.00 H new ATOM 257 N GLU A 20 2.256 11.637 2.217 1.00 0.00 N ATOM 258 CA GLU A 20 3.142 12.422 1.324 1.00 0.00 C ATOM 259 C GLU A 20 3.217 11.854 -0.117 1.00 0.00 C ATOM 260 O GLU A 20 2.551 10.865 -0.422 1.00 0.00 O ATOM 261 CB GLU A 20 4.529 12.590 1.976 1.00 0.00 C ATOM 262 CG GLU A 20 4.586 13.484 3.214 1.00 0.00 C ATOM 263 CD GLU A 20 4.145 12.780 4.505 1.00 0.00 C ATOM 264 OE1 GLU A 20 4.897 11.863 4.940 1.00 0.00 O ATOM 265 OE2 GLU A 20 3.090 13.158 5.036 1.00 0.00 O ATOM 0 H GLU A 20 2.549 10.667 2.338 1.00 0.00 H new ATOM 0 HA GLU A 20 2.701 13.412 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.902 11.603 2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.212 12.994 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.605 13.850 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.952 14.356 3.051 1.00 0.00 H new ATOM 272 N ASN A 21 4.238 12.303 -0.841 1.00 0.00 N ATOM 273 CA ASN A 21 4.493 12.201 -2.307 1.00 0.00 C ATOM 274 C ASN A 21 4.742 10.812 -2.955 1.00 0.00 C ATOM 275 O ASN A 21 5.231 10.735 -4.075 1.00 0.00 O ATOM 276 CB ASN A 21 5.657 13.153 -2.609 1.00 0.00 C ATOM 277 CG ASN A 21 6.894 12.822 -1.764 1.00 0.00 C ATOM 278 OD1 ASN A 21 6.972 13.100 -0.573 1.00 0.00 O ATOM 279 ND2 ASN A 21 7.825 12.092 -2.335 1.00 0.00 N ATOM 0 H ASN A 21 4.999 12.804 -0.382 1.00 0.00 H new ATOM 0 HA ASN A 21 3.544 12.462 -2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.912 13.092 -3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.347 14.180 -2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.616 11.755 -1.787 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.757 11.863 -3.327 1.00 0.00 H new ATOM 286 N LEU A 22 4.437 9.749 -2.221 1.00 0.00 N ATOM 287 CA LEU A 22 4.514 8.347 -2.687 1.00 0.00 C ATOM 288 C LEU A 22 3.222 7.577 -2.422 1.00 0.00 C ATOM 289 O LEU A 22 2.644 7.592 -1.331 1.00 0.00 O ATOM 290 CB LEU A 22 5.643 7.548 -2.017 1.00 0.00 C ATOM 291 CG LEU A 22 7.086 7.991 -2.262 1.00 0.00 C ATOM 292 CD1 LEU A 22 7.952 6.881 -1.677 1.00 0.00 C ATOM 293 CD2 LEU A 22 7.450 8.125 -3.744 1.00 0.00 C ATOM 0 H LEU A 22 4.119 9.828 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 22 4.703 8.435 -3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.468 7.563 -0.941 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.554 6.511 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 22 7.232 8.974 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.004 7.129 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.741 6.778 -0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.731 5.942 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.489 8.443 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.319 7.163 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.801 8.865 -4.212 1.00 0.00 H new ATOM 305 N CYS A 23 3.042 6.679 -3.365 1.00 0.00 N ATOM 306 CA CYS A 23 2.111 5.546 -3.329 1.00 0.00 C ATOM 307 C CYS A 23 2.871 4.296 -2.869 1.00 0.00 C ATOM 308 O CYS A 23 3.817 3.840 -3.479 1.00 0.00 O ATOM 309 CB CYS A 23 1.528 5.290 -4.729 1.00 0.00 C ATOM 310 SG CYS A 23 0.473 6.639 -5.377 1.00 0.00 S ATOM 0 H CYS A 23 3.570 6.712 -4.237 1.00 0.00 H new ATOM 0 HA CYS A 23 1.297 5.773 -2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.350 5.124 -5.425 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.943 4.371 -4.701 1.00 0.00 H new ATOM 315 N TYR A 24 2.418 3.845 -1.703 1.00 0.00 N ATOM 316 CA TYR A 24 2.708 2.572 -0.997 1.00 0.00 C ATOM 317 C TYR A 24 3.294 1.278 -1.594 1.00 0.00 C ATOM 318 O TYR A 24 4.502 1.067 -1.522 1.00 0.00 O ATOM 319 CB TYR A 24 1.457 2.296 -0.143 1.00 0.00 C ATOM 320 CG TYR A 24 0.123 2.819 -0.709 1.00 0.00 C ATOM 321 CD1 TYR A 24 -0.329 2.346 -1.966 1.00 0.00 C ATOM 322 CD2 TYR A 24 -0.380 4.032 -0.183 1.00 0.00 C ATOM 323 CE1 TYR A 24 -1.206 3.140 -2.715 1.00 0.00 C ATOM 324 CE2 TYR A 24 -1.275 4.812 -0.912 1.00 0.00 C ATOM 325 CZ TYR A 24 -1.655 4.361 -2.190 1.00 0.00 C ATOM 326 OH TYR A 24 -2.498 5.115 -2.931 1.00 0.00 O ATOM 0 H TYR A 24 1.768 4.413 -1.160 1.00 0.00 H new ATOM 0 HA TYR A 24 3.661 2.817 -0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.370 1.219 0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.609 2.738 0.842 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.002 1.387 -2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.066 4.358 0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.535 2.814 -3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.665 5.735 -0.509 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.083 5.631 -2.338 1.00 0.00 H new ATOM 336 N ARG A 25 2.441 0.429 -2.169 1.00 0.00 N ATOM 337 CA ARG A 25 2.382 -1.038 -1.901 1.00 0.00 C ATOM 338 C ARG A 25 3.442 -1.558 -0.915 1.00 0.00 C ATOM 339 O ARG A 25 4.478 -2.103 -1.297 1.00 0.00 O ATOM 340 CB ARG A 25 2.281 -1.881 -3.179 1.00 0.00 C ATOM 341 CG ARG A 25 2.071 -3.367 -2.858 1.00 0.00 C ATOM 342 CD ARG A 25 2.687 -4.282 -3.926 1.00 0.00 C ATOM 343 NE ARG A 25 3.193 -5.527 -3.329 1.00 0.00 N ATOM 344 CZ ARG A 25 4.446 -5.991 -3.418 1.00 0.00 C ATOM 345 NH1 ARG A 25 5.426 -5.302 -3.985 1.00 0.00 N ATOM 346 NH2 ARG A 25 4.696 -7.286 -3.237 1.00 0.00 N ATOM 0 H ARG A 25 1.749 0.734 -2.853 1.00 0.00 H new ATOM 0 HA ARG A 25 1.439 -1.174 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.454 -1.519 -3.790 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.190 -1.760 -3.769 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.514 -3.594 -1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.004 -3.573 -2.777 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.939 -4.516 -4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.500 -3.761 -4.431 1.00 0.00 H new ATOM 0 HE ARG A 25 2.528 -6.089 -2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.240 -4.378 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.366 -5.695 -4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.932 -7.929 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.652 -7.635 -3.306 1.00 0.00 H new ATOM 360 N LYS A 26 3.124 -1.403 0.372 1.00 0.00 N ATOM 361 CA LYS A 26 3.984 -1.898 1.466 1.00 0.00 C ATOM 362 C LYS A 26 3.508 -3.300 1.876 1.00 0.00 C ATOM 363 O LYS A 26 2.572 -3.467 2.648 1.00 0.00 O ATOM 364 CB LYS A 26 3.993 -0.960 2.676 1.00 0.00 C ATOM 365 CG LYS A 26 4.349 0.473 2.280 1.00 0.00 C ATOM 366 CD LYS A 26 4.425 1.389 3.494 1.00 0.00 C ATOM 367 CE LYS A 26 4.443 2.843 3.015 1.00 0.00 C ATOM 368 NZ LYS A 26 4.818 3.742 4.118 1.00 0.00 N ATOM 0 H LYS A 26 2.274 -0.937 0.690 1.00 0.00 H new ATOM 0 HA LYS A 26 5.010 -1.939 1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.013 -0.973 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.711 -1.323 3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.306 0.480 1.758 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.603 0.854 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.571 1.218 4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.321 1.172 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.149 2.953 2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.461 3.118 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.553 4.718 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.321 3.454 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.845 3.691 4.274 1.00 0.00 H new ATOM 382 N MET A 27 4.110 -4.273 1.198 1.00 0.00 N ATOM 383 CA MET A 27 3.783 -5.695 1.335 1.00 0.00 C ATOM 384 C MET A 27 4.953 -6.508 1.912 1.00 0.00 C ATOM 385 O MET A 27 6.135 -6.285 1.630 1.00 0.00 O ATOM 386 CB MET A 27 3.364 -6.241 -0.030 1.00 0.00 C ATOM 387 CG MET A 27 2.772 -7.652 0.060 1.00 0.00 C ATOM 388 SD MET A 27 2.065 -8.255 -1.510 1.00 0.00 S ATOM 389 CE MET A 27 1.317 -9.735 -0.871 1.00 0.00 C ATOM 0 H MET A 27 4.854 -4.095 0.524 1.00 0.00 H new ATOM 0 HA MET A 27 2.960 -5.793 2.043 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.630 -5.570 -0.477 1.00 0.00 H new ATOM 0 HB3 MET A 27 4.229 -6.255 -0.694 1.00 0.00 H new ATOM 0 HG2 MET A 27 3.550 -8.342 0.386 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.996 -7.662 0.825 1.00 0.00 H new ATOM 0 HE1 MET A 27 0.606 -10.127 -1.599 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.089 -10.480 -0.681 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.796 -9.507 0.059 1.00 0.00 H new ATOM 399 N TRP A 28 4.553 -7.424 2.778 1.00 0.00 N ATOM 400 CA TRP A 28 5.382 -8.473 3.381 1.00 0.00 C ATOM 401 C TRP A 28 4.492 -9.716 3.583 1.00 0.00 C ATOM 402 O TRP A 28 3.478 -9.846 2.891 1.00 0.00 O ATOM 403 CB TRP A 28 6.074 -7.950 4.648 1.00 0.00 C ATOM 404 CG TRP A 28 5.173 -7.476 5.798 1.00 0.00 C ATOM 405 CD1 TRP A 28 5.205 -8.023 7.005 1.00 0.00 C ATOM 406 CD2 TRP A 28 4.575 -6.223 5.938 1.00 0.00 C ATOM 407 NE1 TRP A 28 4.715 -7.177 7.923 1.00 0.00 N ATOM 408 CE2 TRP A 28 4.328 -6.068 7.317 1.00 0.00 C ATOM 409 CE3 TRP A 28 4.250 -5.178 5.046 1.00 0.00 C ATOM 410 CZ2 TRP A 28 3.778 -4.871 7.828 1.00 0.00 C ATOM 411 CZ3 TRP A 28 3.695 -3.985 5.544 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.466 -3.828 6.931 1.00 0.00 C ATOM 0 H TRP A 28 3.587 -7.464 3.102 1.00 0.00 H new ATOM 0 HA TRP A 28 6.206 -8.770 2.732 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.721 -8.740 5.030 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.720 -7.120 4.361 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.575 -9.015 7.220 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.651 -7.359 8.925 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.427 -5.294 3.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.600 -4.757 8.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.443 -3.185 4.864 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.050 -2.904 7.305 1.00 0.00 H new ATOM 423 N CYS A 29 4.849 -10.600 4.509 1.00 0.00 N ATOM 424 CA CYS A 29 4.136 -11.871 4.793 1.00 0.00 C ATOM 425 C CYS A 29 2.637 -11.891 4.417 1.00 0.00 C ATOM 426 O CYS A 29 1.847 -11.204 5.058 1.00 0.00 O ATOM 427 CB CYS A 29 4.370 -12.264 6.257 1.00 0.00 C ATOM 428 SG CYS A 29 6.029 -12.948 6.616 1.00 0.00 S ATOM 0 H CYS A 29 5.663 -10.462 5.107 1.00 0.00 H new ATOM 0 HA CYS A 29 4.567 -12.621 4.129 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.212 -11.386 6.883 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.619 -13.000 6.545 1.00 0.00 H new ATOM 433 N ASP A 30 2.112 -12.699 3.489 1.00 0.00 N ATOM 434 CA ASP A 30 2.577 -13.940 2.827 1.00 0.00 C ATOM 435 C ASP A 30 2.504 -15.088 3.841 1.00 0.00 C ATOM 436 O ASP A 30 3.336 -15.209 4.732 1.00 0.00 O ATOM 437 CB ASP A 30 3.921 -13.893 2.081 1.00 0.00 C ATOM 438 CG ASP A 30 3.966 -12.812 0.998 1.00 0.00 C ATOM 439 OD1 ASP A 30 3.041 -12.799 0.152 1.00 0.00 O ATOM 440 OD2 ASP A 30 4.918 -12.015 1.066 1.00 0.00 O ATOM 0 H ASP A 30 1.192 -12.459 3.119 1.00 0.00 H new ATOM 0 HA ASP A 30 1.892 -14.100 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.722 -13.715 2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.111 -14.865 1.625 1.00 0.00 H new ATOM 445 N ALA A 31 1.309 -15.669 3.846 1.00 0.00 N ATOM 446 CA ALA A 31 0.772 -16.536 4.921 1.00 0.00 C ATOM 447 C ALA A 31 0.665 -15.841 6.299 1.00 0.00 C ATOM 448 O ALA A 31 0.377 -16.482 7.310 1.00 0.00 O ATOM 449 CB ALA A 31 1.556 -17.851 5.032 1.00 0.00 C ATOM 0 H ALA A 31 0.651 -15.552 3.075 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.251 -16.762 4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.133 -18.460 5.831 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.492 -18.394 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.601 -17.634 5.255 1.00 0.00 H new ATOM 455 N PHE A 32 0.684 -14.499 6.295 1.00 0.00 N ATOM 456 CA PHE A 32 1.161 -13.625 7.397 1.00 0.00 C ATOM 457 C PHE A 32 2.147 -14.343 8.331 1.00 0.00 C ATOM 458 O PHE A 32 1.961 -14.484 9.549 1.00 0.00 O ATOM 459 CB PHE A 32 0.041 -12.825 8.086 1.00 0.00 C ATOM 460 CG PHE A 32 -0.940 -13.601 8.966 1.00 0.00 C ATOM 461 CD1 PHE A 32 -1.994 -14.306 8.359 1.00 0.00 C ATOM 462 CD2 PHE A 32 -0.928 -13.365 10.353 1.00 0.00 C ATOM 463 CE1 PHE A 32 -3.068 -14.776 9.137 1.00 0.00 C ATOM 464 CE2 PHE A 32 -2.010 -13.828 11.148 1.00 0.00 C ATOM 465 CZ PHE A 32 -3.069 -14.529 10.525 1.00 0.00 C ATOM 0 H PHE A 32 0.355 -13.963 5.492 1.00 0.00 H new ATOM 0 HA PHE A 32 1.758 -12.838 6.937 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.507 -12.054 8.700 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.532 -12.314 7.313 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.979 -14.487 7.294 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.104 -12.837 10.809 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.881 -15.319 8.677 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.024 -13.648 12.213 1.00 0.00 H new ATOM 0 HZ PHE A 32 -3.895 -14.882 11.125 1.00 0.00 H new ATOM 475 N CYS A 33 3.001 -15.027 7.590 1.00 0.00 N ATOM 476 CA CYS A 33 3.944 -16.067 7.997 1.00 0.00 C ATOM 477 C CYS A 33 3.634 -16.906 9.249 1.00 0.00 C ATOM 478 O CYS A 33 4.485 -17.167 10.109 1.00 0.00 O ATOM 479 CB CYS A 33 5.420 -15.610 7.879 1.00 0.00 C ATOM 480 SG CYS A 33 5.768 -13.888 8.409 1.00 0.00 S ATOM 0 H CYS A 33 3.061 -14.854 6.587 1.00 0.00 H new ATOM 0 HA CYS A 33 3.769 -16.829 7.238 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.038 -16.284 8.472 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.733 -15.721 6.841 1.00 0.00 H new ATOM 485 N SER A 34 2.412 -17.424 9.194 1.00 0.00 N ATOM 486 CA SER A 34 1.747 -18.222 10.241 1.00 0.00 C ATOM 487 C SER A 34 0.480 -18.920 9.696 1.00 0.00 C ATOM 488 O SER A 34 0.609 -19.913 8.981 1.00 0.00 O ATOM 489 CB SER A 34 1.462 -17.383 11.504 1.00 0.00 C ATOM 490 OG SER A 34 0.562 -16.309 11.221 1.00 0.00 O ATOM 0 H SER A 34 1.818 -17.296 8.375 1.00 0.00 H new ATOM 0 HA SER A 34 2.436 -19.010 10.544 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.038 -18.021 12.279 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.397 -16.983 11.896 1.00 0.00 H new ATOM 0 HG SER A 34 1.001 -15.661 10.632 1.00 0.00 H new ATOM 496 N SER A 35 -0.679 -18.273 9.795 1.00 0.00 N ATOM 497 CA SER A 35 -2.011 -18.863 9.505 1.00 0.00 C ATOM 498 C SER A 35 -2.822 -18.164 8.391 1.00 0.00 C ATOM 499 O SER A 35 -3.987 -17.800 8.561 1.00 0.00 O ATOM 500 CB SER A 35 -2.795 -18.938 10.827 1.00 0.00 C ATOM 501 OG SER A 35 -2.917 -17.622 11.375 1.00 0.00 O ATOM 0 H SER A 35 -0.734 -17.297 10.086 1.00 0.00 H new ATOM 0 HA SER A 35 -1.840 -19.857 9.091 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.782 -19.366 10.655 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.282 -19.593 11.532 1.00 0.00 H new ATOM 0 HG SER A 35 -2.879 -16.962 10.652 1.00 0.00 H new ATOM 507 N ARG A 36 -2.107 -17.837 7.314 1.00 0.00 N ATOM 508 CA ARG A 36 -2.607 -17.409 5.981 1.00 0.00 C ATOM 509 C ARG A 36 -3.266 -16.041 5.791 1.00 0.00 C ATOM 510 O ARG A 36 -4.436 -15.810 6.091 1.00 0.00 O ATOM 511 CB ARG A 36 -3.314 -18.525 5.215 1.00 0.00 C ATOM 512 CG ARG A 36 -2.227 -19.381 4.544 1.00 0.00 C ATOM 513 CD ARG A 36 -2.813 -20.468 3.636 1.00 0.00 C ATOM 514 NE ARG A 36 -3.454 -19.890 2.438 1.00 0.00 N ATOM 515 CZ ARG A 36 -3.149 -20.148 1.160 1.00 0.00 C ATOM 516 NH1 ARG A 36 -2.375 -21.173 0.817 1.00 0.00 N ATOM 517 NH2 ARG A 36 -3.811 -19.549 0.189 1.00 0.00 N ATOM 0 H ARG A 36 -1.088 -17.862 7.339 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.646 -17.194 5.514 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.918 -19.131 5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.991 -18.109 4.468 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.572 -18.737 3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.611 -19.847 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.022 -21.153 3.331 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.544 -21.053 4.194 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.209 -19.224 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.996 -21.789 1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.161 -21.344 -0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.556 -18.889 0.411 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.578 -19.746 -0.784 1.00 0.00 H new ATOM 531 N GLY A 37 -2.433 -15.145 5.252 1.00 0.00 N ATOM 532 CA GLY A 37 -2.839 -13.786 4.798 1.00 0.00 C ATOM 533 C GLY A 37 -1.685 -13.022 4.131 1.00 0.00 C ATOM 534 O GLY A 37 -0.551 -13.496 4.095 1.00 0.00 O ATOM 0 H GLY A 37 -1.441 -15.334 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.668 -13.873 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.204 -13.215 5.652 1.00 0.00 H new ATOM 538 N LYS A 38 -2.028 -11.948 3.431 1.00 0.00 N ATOM 539 CA LYS A 38 -1.043 -11.060 2.767 1.00 0.00 C ATOM 540 C LYS A 38 -1.051 -9.639 3.350 1.00 0.00 C ATOM 541 O LYS A 38 -1.832 -8.800 2.932 1.00 0.00 O ATOM 542 CB LYS A 38 -1.366 -11.041 1.265 1.00 0.00 C ATOM 543 CG LYS A 38 -1.099 -12.359 0.552 1.00 0.00 C ATOM 544 CD LYS A 38 -1.560 -12.255 -0.907 1.00 0.00 C ATOM 545 CE LYS A 38 -0.990 -13.373 -1.777 1.00 0.00 C ATOM 546 NZ LYS A 38 0.462 -13.237 -1.899 1.00 0.00 N ATOM 0 H LYS A 38 -2.996 -11.655 3.299 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.039 -11.447 2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.415 -10.776 1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.777 -10.257 0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.036 -12.598 0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.627 -13.170 1.054 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.649 -12.288 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.256 -11.291 -1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.235 -14.342 -1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.448 -13.342 -2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.787 -13.737 -2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.711 -12.230 -1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.921 -13.647 -1.061 1.00 0.00 H new ATOM 560 N VAL A 39 -0.151 -9.396 4.308 1.00 0.00 N ATOM 561 CA VAL A 39 0.001 -8.093 4.989 1.00 0.00 C ATOM 562 C VAL A 39 0.518 -7.049 3.988 1.00 0.00 C ATOM 563 O VAL A 39 1.680 -7.061 3.588 1.00 0.00 O ATOM 564 CB VAL A 39 0.975 -8.124 6.191 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.805 -6.851 7.025 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.738 -9.294 7.161 1.00 0.00 C ATOM 0 H VAL A 39 0.504 -10.103 4.641 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.987 -7.839 5.373 1.00 0.00 H new ATOM 0 HB VAL A 39 1.966 -8.225 5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.492 -6.876 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.021 -5.980 6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.220 -6.790 7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.461 -9.244 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.271 -9.231 7.568 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.856 -10.238 6.628 1.00 0.00 H new ATOM 576 N VAL A 40 -0.462 -6.342 3.458 1.00 0.00 N ATOM 577 CA VAL A 40 -0.238 -5.172 2.599 1.00 0.00 C ATOM 578 C VAL A 40 -0.874 -3.961 3.286 1.00 0.00 C ATOM 579 O VAL A 40 -2.085 -3.859 3.465 1.00 0.00 O ATOM 580 CB VAL A 40 -0.839 -5.335 1.190 1.00 0.00 C ATOM 581 CG1 VAL A 40 -0.220 -4.337 0.219 1.00 0.00 C ATOM 582 CG2 VAL A 40 -0.597 -6.709 0.580 1.00 0.00 C ATOM 0 H VAL A 40 -1.448 -6.557 3.607 1.00 0.00 H new ATOM 0 HA VAL A 40 0.837 -5.047 2.465 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.909 -5.176 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.660 -4.471 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.413 -3.322 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.856 -4.503 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.048 -6.751 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.475 -6.887 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.045 -7.473 1.215 1.00 0.00 H new ATOM 592 N GLU A 41 0.021 -3.128 3.793 1.00 0.00 N ATOM 593 CA GLU A 41 -0.297 -1.817 4.368 1.00 0.00 C ATOM 594 C GLU A 41 -0.184 -0.787 3.242 1.00 0.00 C ATOM 595 O GLU A 41 0.833 -0.686 2.557 1.00 0.00 O ATOM 596 CB GLU A 41 0.694 -1.501 5.504 1.00 0.00 C ATOM 597 CG GLU A 41 0.508 -0.121 6.161 1.00 0.00 C ATOM 598 CD GLU A 41 -0.888 0.085 6.750 1.00 0.00 C ATOM 599 OE1 GLU A 41 -1.132 -0.448 7.857 1.00 0.00 O ATOM 600 OE2 GLU A 41 -1.688 0.750 6.063 1.00 0.00 O ATOM 0 H GLU A 41 1.017 -3.345 3.820 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.303 -1.800 4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.600 -2.269 6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.708 -1.566 5.110 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.250 0.001 6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.701 0.655 5.420 1.00 0.00 H new ATOM 607 N LEU A 42 -1.287 -0.084 3.007 1.00 0.00 N ATOM 608 CA LEU A 42 -1.274 0.948 1.963 1.00 0.00 C ATOM 609 C LEU A 42 -1.184 2.378 2.519 1.00 0.00 C ATOM 610 O LEU A 42 -2.097 3.191 2.423 1.00 0.00 O ATOM 611 CB LEU A 42 -2.332 0.710 0.860 1.00 0.00 C ATOM 612 CG LEU A 42 -2.187 -0.660 0.168 1.00 0.00 C ATOM 613 CD1 LEU A 42 -3.211 -0.814 -0.964 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.818 -0.849 -0.465 1.00 0.00 C ATOM 0 H LEU A 42 -2.172 -0.198 3.501 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.331 0.839 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.327 0.786 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.252 1.499 0.112 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.342 -1.399 0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.088 -1.789 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.219 -0.733 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.055 -0.030 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.768 -1.829 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.654 -0.075 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.049 -0.778 0.304 1.00 0.00 H new ATOM 626 N GLY A 43 0.082 2.706 2.785 1.00 0.00 N ATOM 627 CA GLY A 43 0.526 3.948 3.439 1.00 0.00 C ATOM 628 C GLY A 43 1.076 5.000 2.462 1.00 0.00 C ATOM 629 O GLY A 43 1.960 4.739 1.654 1.00 0.00 O ATOM 0 H GLY A 43 0.860 2.092 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.312 4.378 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.297 3.707 4.171 1.00 0.00 H new ATOM 633 N CYS A 44 0.420 6.157 2.482 1.00 0.00 N ATOM 634 CA CYS A 44 0.861 7.329 1.677 1.00 0.00 C ATOM 635 C CYS A 44 2.159 7.893 2.266 1.00 0.00 C ATOM 636 O CYS A 44 2.194 8.538 3.319 1.00 0.00 O ATOM 637 CB CYS A 44 -0.239 8.386 1.564 1.00 0.00 C ATOM 638 SG CYS A 44 -1.724 7.840 0.661 1.00 0.00 S ATOM 0 H CYS A 44 -0.418 6.324 3.040 1.00 0.00 H new ATOM 0 HA CYS A 44 1.063 7.003 0.657 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.533 8.695 2.567 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.170 9.266 1.067 1.00 0.00 H new ATOM 643 N ALA A 45 3.209 7.729 1.475 1.00 0.00 N ATOM 644 CA ALA A 45 4.612 7.719 1.934 1.00 0.00 C ATOM 645 C ALA A 45 5.454 8.900 1.418 1.00 0.00 C ATOM 646 O ALA A 45 5.046 9.611 0.511 1.00 0.00 O ATOM 647 CB ALA A 45 5.174 6.385 1.459 1.00 0.00 C ATOM 0 H ALA A 45 3.119 7.595 0.468 1.00 0.00 H new ATOM 0 HA ALA A 45 4.651 7.834 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.218 6.301 1.762 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.601 5.570 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.106 6.328 0.373 1.00 0.00 H new ATOM 653 N ALA A 46 6.482 9.253 2.194 1.00 0.00 N ATOM 654 CA ALA A 46 7.475 10.286 1.806 1.00 0.00 C ATOM 655 C ALA A 46 8.651 9.804 0.915 1.00 0.00 C ATOM 656 O ALA A 46 9.014 10.471 -0.048 1.00 0.00 O ATOM 657 CB ALA A 46 8.009 10.980 3.062 1.00 0.00 C ATOM 0 H ALA A 46 6.659 8.838 3.109 1.00 0.00 H new ATOM 0 HA ALA A 46 6.926 10.980 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.738 11.738 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.184 11.452 3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.486 10.244 3.710 1.00 0.00 H new ATOM 663 N THR A 47 9.300 8.713 1.333 1.00 0.00 N ATOM 664 CA THR A 47 10.426 8.098 0.599 1.00 0.00 C ATOM 665 C THR A 47 10.488 6.614 0.976 1.00 0.00 C ATOM 666 O THR A 47 10.070 6.220 2.066 1.00 0.00 O ATOM 667 CB THR A 47 11.797 8.711 0.922 1.00 0.00 C ATOM 668 OG1 THR A 47 11.686 10.113 1.185 1.00 0.00 O ATOM 669 CG2 THR A 47 12.772 8.523 -0.257 1.00 0.00 C ATOM 0 H THR A 47 9.062 8.223 2.196 1.00 0.00 H new ATOM 0 HA THR A 47 10.236 8.268 -0.461 1.00 0.00 H new ATOM 0 HB THR A 47 12.174 8.198 1.807 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.572 10.479 1.389 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.736 8.965 -0.006 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.901 7.459 -0.456 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.369 9.012 -1.144 1.00 0.00 H new ATOM 677 N CYS A 48 10.919 5.814 0.001 1.00 0.00 N ATOM 678 CA CYS A 48 11.309 4.402 0.222 1.00 0.00 C ATOM 679 C CYS A 48 12.852 4.313 0.135 1.00 0.00 C ATOM 680 O CYS A 48 13.403 4.483 -0.947 1.00 0.00 O ATOM 681 CB CYS A 48 10.628 3.481 -0.794 1.00 0.00 C ATOM 682 SG CYS A 48 10.871 3.969 -2.538 1.00 0.00 S ATOM 0 H CYS A 48 11.011 6.117 -0.969 1.00 0.00 H new ATOM 0 HA CYS A 48 10.982 4.069 1.207 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.005 2.468 -0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.559 3.454 -0.583 1.00 0.00 H new ATOM 687 N PRO A 49 13.535 4.317 1.293 1.00 0.00 N ATOM 688 CA PRO A 49 15.002 4.225 1.335 1.00 0.00 C ATOM 689 C PRO A 49 15.495 2.805 1.025 1.00 0.00 C ATOM 690 O PRO A 49 14.782 1.823 1.197 1.00 0.00 O ATOM 691 CB PRO A 49 15.369 4.664 2.752 1.00 0.00 C ATOM 692 CG PRO A 49 14.165 4.261 3.584 1.00 0.00 C ATOM 693 CD PRO A 49 12.978 4.503 2.645 1.00 0.00 C ATOM 0 HA PRO A 49 15.476 4.850 0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.277 4.172 3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.548 5.738 2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.224 3.218 3.895 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.087 4.860 4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.167 3.801 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.569 5.505 2.772 1.00 0.00 H new ATOM 701 N SER A 50 16.752 2.737 0.597 1.00 0.00 N ATOM 702 CA SER A 50 17.468 1.455 0.418 1.00 0.00 C ATOM 703 C SER A 50 17.633 0.664 1.722 1.00 0.00 C ATOM 704 O SER A 50 17.584 -0.568 1.763 1.00 0.00 O ATOM 705 CB SER A 50 18.835 1.732 -0.195 1.00 0.00 C ATOM 706 OG SER A 50 19.463 2.758 0.580 1.00 0.00 O ATOM 0 H SER A 50 17.310 3.558 0.363 1.00 0.00 H new ATOM 0 HA SER A 50 16.862 0.835 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 50 19.443 0.828 -0.196 1.00 0.00 H new ATOM 0 HB3 SER A 50 18.731 2.047 -1.233 1.00 0.00 H new ATOM 0 HG SER A 50 20.348 2.955 0.207 1.00 0.00 H new ATOM 712 N LYS A 51 17.861 1.449 2.766 1.00 0.00 N ATOM 713 CA LYS A 51 18.012 0.979 4.162 1.00 0.00 C ATOM 714 C LYS A 51 16.664 1.147 4.882 1.00 0.00 C ATOM 715 O LYS A 51 16.357 2.171 5.491 1.00 0.00 O ATOM 716 CB LYS A 51 19.115 1.781 4.859 1.00 0.00 C ATOM 717 CG LYS A 51 20.422 1.767 4.061 1.00 0.00 C ATOM 718 CD LYS A 51 21.270 2.990 4.407 1.00 0.00 C ATOM 719 CE LYS A 51 22.249 3.263 3.264 1.00 0.00 C ATOM 720 NZ LYS A 51 23.089 4.417 3.622 1.00 0.00 N ATOM 0 H LYS A 51 17.951 2.461 2.677 1.00 0.00 H new ATOM 0 HA LYS A 51 18.298 -0.073 4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.784 2.811 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 51 19.292 1.368 5.852 1.00 0.00 H new ATOM 0 HG2 LYS A 51 20.979 0.856 4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 51 20.204 1.758 2.993 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.630 3.857 4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.815 2.819 5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 51 22.871 2.386 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.705 3.465 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.759 4.611 2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.486 5.251 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.616 4.206 4.493 1.00 0.00 H new ATOM 734 N LYS A 52 15.835 0.131 4.664 1.00 0.00 N ATOM 735 CA LYS A 52 14.446 0.077 5.157 1.00 0.00 C ATOM 736 C LYS A 52 14.212 -1.196 5.993 1.00 0.00 C ATOM 737 O LYS A 52 15.028 -2.125 5.912 1.00 0.00 O ATOM 738 CB LYS A 52 13.468 0.121 3.960 1.00 0.00 C ATOM 739 CG LYS A 52 13.664 -0.987 2.911 1.00 0.00 C ATOM 740 CD LYS A 52 12.419 -1.218 2.045 1.00 0.00 C ATOM 741 CE LYS A 52 12.092 -0.110 1.034 1.00 0.00 C ATOM 742 NZ LYS A 52 12.911 -0.233 -0.183 1.00 0.00 N ATOM 0 H LYS A 52 16.106 -0.696 4.132 1.00 0.00 H new ATOM 0 HA LYS A 52 14.267 0.940 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.449 0.061 4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.567 1.088 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.504 -0.726 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.926 -1.916 3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.547 -2.154 1.501 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.560 -1.347 2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.036 -0.157 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.263 0.864 1.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.357 0.075 -1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.758 0.363 -0.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.197 -1.225 -0.310 1.00 0.00 H new ATOM 756 N PRO A 53 13.158 -1.257 6.810 1.00 0.00 N ATOM 757 CA PRO A 53 12.605 -2.545 7.291 1.00 0.00 C ATOM 758 C PRO A 53 12.193 -3.330 6.033 1.00 0.00 C ATOM 759 O PRO A 53 11.341 -2.862 5.269 1.00 0.00 O ATOM 760 CB PRO A 53 11.402 -2.152 8.144 1.00 0.00 C ATOM 761 CG PRO A 53 11.821 -0.799 8.720 1.00 0.00 C ATOM 762 CD PRO A 53 12.585 -0.124 7.579 1.00 0.00 C ATOM 0 HA PRO A 53 13.288 -3.162 7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.492 -2.074 7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.207 -2.883 8.929 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.955 -0.210 9.023 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.449 -0.919 9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.924 0.484 6.961 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.365 0.537 7.957 1.00 0.00 H new ATOM 770 N TYR A 54 12.959 -4.378 5.742 1.00 0.00 N ATOM 771 CA TYR A 54 12.944 -5.050 4.415 1.00 0.00 C ATOM 772 C TYR A 54 11.630 -5.739 4.032 1.00 0.00 C ATOM 773 O TYR A 54 11.352 -6.880 4.387 1.00 0.00 O ATOM 774 CB TYR A 54 14.145 -5.987 4.226 1.00 0.00 C ATOM 775 CG TYR A 54 15.430 -5.193 3.994 1.00 0.00 C ATOM 776 CD1 TYR A 54 15.644 -4.590 2.729 1.00 0.00 C ATOM 777 CD2 TYR A 54 16.269 -4.939 5.095 1.00 0.00 C ATOM 778 CE1 TYR A 54 16.687 -3.659 2.590 1.00 0.00 C ATOM 779 CE2 TYR A 54 17.317 -4.011 4.947 1.00 0.00 C ATOM 780 CZ TYR A 54 17.493 -3.375 3.710 1.00 0.00 C ATOM 781 OH TYR A 54 18.425 -2.394 3.640 1.00 0.00 O ATOM 0 H TYR A 54 13.611 -4.796 6.406 1.00 0.00 H new ATOM 0 HA TYR A 54 13.032 -4.224 3.710 1.00 0.00 H new ATOM 0 HB2 TYR A 54 14.259 -6.620 5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 54 13.964 -6.649 3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 54 15.016 -4.842 1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 54 16.112 -5.446 6.035 1.00 0.00 H new ATOM 0 HE1 TYR A 54 16.867 -3.171 1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.976 -3.792 5.774 1.00 0.00 H new ATOM 0 HH TYR A 54 18.216 -1.797 2.891 1.00 0.00 H new ATOM 791 N GLU A 55 10.805 -4.910 3.410 1.00 0.00 N ATOM 792 CA GLU A 55 9.506 -5.294 2.846 1.00 0.00 C ATOM 793 C GLU A 55 9.478 -4.894 1.359 1.00 0.00 C ATOM 794 O GLU A 55 10.139 -3.952 0.932 1.00 0.00 O ATOM 795 CB GLU A 55 8.381 -4.567 3.596 1.00 0.00 C ATOM 796 CG GLU A 55 8.386 -4.889 5.089 1.00 0.00 C ATOM 797 CD GLU A 55 7.342 -4.124 5.921 1.00 0.00 C ATOM 798 OE1 GLU A 55 6.893 -3.040 5.470 1.00 0.00 O ATOM 799 OE2 GLU A 55 7.051 -4.614 7.024 1.00 0.00 O ATOM 0 H GLU A 55 11.021 -3.922 3.276 1.00 0.00 H new ATOM 0 HA GLU A 55 9.361 -6.370 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.489 -3.491 3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.419 -4.849 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.217 -5.958 5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.377 -4.673 5.489 1.00 0.00 H new ATOM 806 N GLU A 56 8.646 -5.614 0.617 1.00 0.00 N ATOM 807 CA GLU A 56 8.446 -5.385 -0.826 1.00 0.00 C ATOM 808 C GLU A 56 7.502 -4.198 -1.010 1.00 0.00 C ATOM 809 O GLU A 56 6.358 -4.223 -0.564 1.00 0.00 O ATOM 810 CB GLU A 56 7.903 -6.671 -1.463 1.00 0.00 C ATOM 811 CG GLU A 56 9.020 -7.719 -1.497 1.00 0.00 C ATOM 812 CD GLU A 56 8.490 -9.102 -1.903 1.00 0.00 C ATOM 813 OE1 GLU A 56 8.316 -9.303 -3.122 1.00 0.00 O ATOM 814 OE2 GLU A 56 8.312 -9.915 -0.973 1.00 0.00 O ATOM 0 H GLU A 56 8.084 -6.379 0.992 1.00 0.00 H new ATOM 0 HA GLU A 56 9.385 -5.142 -1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.053 -7.045 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.545 -6.469 -2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.792 -7.405 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.489 -7.783 -0.515 1.00 0.00 H new ATOM 821 N VAL A 57 8.187 -3.085 -1.234 1.00 0.00 N ATOM 822 CA VAL A 57 7.560 -1.758 -1.359 1.00 0.00 C ATOM 823 C VAL A 57 7.601 -1.241 -2.812 1.00 0.00 C ATOM 824 O VAL A 57 8.662 -0.957 -3.372 1.00 0.00 O ATOM 825 CB VAL A 57 8.194 -0.785 -0.350 1.00 0.00 C ATOM 826 CG1 VAL A 57 7.715 0.667 -0.500 1.00 0.00 C ATOM 827 CG2 VAL A 57 7.900 -1.227 1.085 1.00 0.00 C ATOM 0 H VAL A 57 9.202 -3.068 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 57 6.501 -1.840 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 57 9.262 -0.813 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.207 1.291 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.962 1.031 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.636 0.711 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.357 -0.525 1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.822 -1.248 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.311 -2.223 1.250 1.00 0.00 H new ATOM 837 N THR A 58 6.411 -1.189 -3.399 1.00 0.00 N ATOM 838 CA THR A 58 6.188 -0.516 -4.684 1.00 0.00 C ATOM 839 C THR A 58 5.761 0.920 -4.383 1.00 0.00 C ATOM 840 O THR A 58 4.574 1.301 -4.371 1.00 0.00 O ATOM 841 CB THR A 58 5.142 -1.201 -5.552 1.00 0.00 C ATOM 842 OG1 THR A 58 5.266 -2.611 -5.373 1.00 0.00 O ATOM 843 CG2 THR A 58 5.326 -0.860 -7.034 1.00 0.00 C ATOM 0 H THR A 58 5.571 -1.610 -3.002 1.00 0.00 H new ATOM 0 HA THR A 58 7.115 -0.551 -5.256 1.00 0.00 H new ATOM 0 HB THR A 58 4.154 -0.852 -5.252 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.324 -3.048 -6.248 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.561 -1.367 -7.622 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.236 0.217 -7.173 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.312 -1.187 -7.363 1.00 0.00 H new ATOM 851 N CYS A 59 6.834 1.694 -4.308 1.00 0.00 N ATOM 852 CA CYS A 59 6.829 3.112 -3.967 1.00 0.00 C ATOM 853 C CYS A 59 6.837 3.947 -5.253 1.00 0.00 C ATOM 854 O CYS A 59 7.847 4.176 -5.910 1.00 0.00 O ATOM 855 CB CYS A 59 8.009 3.447 -3.054 1.00 0.00 C ATOM 856 SG CYS A 59 9.607 2.714 -3.523 1.00 0.00 S ATOM 0 H CYS A 59 7.772 1.337 -4.491 1.00 0.00 H new ATOM 0 HA CYS A 59 5.922 3.355 -3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.123 4.531 -3.022 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.765 3.122 -2.042 1.00 0.00 H new ATOM 861 N CYS A 60 5.600 4.178 -5.651 1.00 0.00 N ATOM 862 CA CYS A 60 5.210 4.819 -6.920 1.00 0.00 C ATOM 863 C CYS A 60 4.819 6.281 -6.659 1.00 0.00 C ATOM 864 O CYS A 60 4.691 6.708 -5.516 1.00 0.00 O ATOM 865 CB CYS A 60 4.071 4.009 -7.526 1.00 0.00 C ATOM 866 SG CYS A 60 3.834 4.397 -9.293 1.00 0.00 S ATOM 0 H CYS A 60 4.794 3.917 -5.082 1.00 0.00 H new ATOM 0 HA CYS A 60 6.037 4.835 -7.630 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.280 2.945 -7.412 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.149 4.213 -6.982 1.00 0.00 H new ATOM 871 N SER A 61 4.681 7.051 -7.732 1.00 0.00 N ATOM 872 CA SER A 61 4.290 8.472 -7.642 1.00 0.00 C ATOM 873 C SER A 61 2.783 8.648 -7.431 1.00 0.00 C ATOM 874 O SER A 61 2.343 8.823 -6.301 1.00 0.00 O ATOM 875 CB SER A 61 4.832 9.235 -8.851 1.00 0.00 C ATOM 876 OG SER A 61 4.458 8.548 -10.046 1.00 0.00 O ATOM 0 H SER A 61 4.833 6.722 -8.685 1.00 0.00 H new ATOM 0 HA SER A 61 4.745 8.907 -6.752 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.437 10.251 -8.862 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.917 9.316 -8.788 1.00 0.00 H new ATOM 0 HG SER A 61 4.802 9.034 -10.824 1.00 0.00 H new ATOM 882 N THR A 62 2.014 8.406 -8.492 1.00 0.00 N ATOM 883 CA THR A 62 0.543 8.529 -8.536 1.00 0.00 C ATOM 884 C THR A 62 -0.061 7.822 -9.773 1.00 0.00 C ATOM 885 O THR A 62 0.650 7.192 -10.555 1.00 0.00 O ATOM 886 CB THR A 62 0.086 9.998 -8.378 1.00 0.00 C ATOM 887 OG1 THR A 62 -1.323 10.057 -8.159 1.00 0.00 O ATOM 888 CG2 THR A 62 0.510 10.912 -9.536 1.00 0.00 C ATOM 0 H THR A 62 2.407 8.106 -9.384 1.00 0.00 H new ATOM 0 HA THR A 62 0.141 7.999 -7.672 1.00 0.00 H new ATOM 0 HB THR A 62 0.604 10.388 -7.502 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.576 10.968 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.152 11.925 -9.350 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.597 10.920 -9.614 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.083 10.541 -10.468 1.00 0.00 H new ATOM 896 N ASP A 63 -1.394 7.812 -9.819 1.00 0.00 N ATOM 897 CA ASP A 63 -2.272 7.239 -10.861 1.00 0.00 C ATOM 898 C ASP A 63 -2.305 5.701 -10.870 1.00 0.00 C ATOM 899 O ASP A 63 -1.778 5.012 -11.739 1.00 0.00 O ATOM 900 CB ASP A 63 -2.031 7.860 -12.249 1.00 0.00 C ATOM 901 CG ASP A 63 -2.453 9.331 -12.228 1.00 0.00 C ATOM 902 OD1 ASP A 63 -3.675 9.576 -12.355 1.00 0.00 O ATOM 903 OD2 ASP A 63 -1.572 10.185 -11.982 1.00 0.00 O ATOM 0 H ASP A 63 -1.940 8.238 -9.070 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.284 7.529 -10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.978 7.776 -12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.599 7.318 -13.006 1.00 0.00 H new ATOM 908 N LYS A 64 -3.052 5.225 -9.880 1.00 0.00 N ATOM 909 CA LYS A 64 -3.285 3.806 -9.525 1.00 0.00 C ATOM 910 C LYS A 64 -1.992 3.043 -9.178 1.00 0.00 C ATOM 911 O LYS A 64 -1.703 2.848 -8.011 1.00 0.00 O ATOM 912 CB LYS A 64 -4.199 3.073 -10.512 1.00 0.00 C ATOM 913 CG LYS A 64 -5.623 3.607 -10.423 1.00 0.00 C ATOM 914 CD LYS A 64 -6.542 2.780 -11.317 1.00 0.00 C ATOM 915 CE LYS A 64 -7.979 3.308 -11.302 1.00 0.00 C ATOM 916 NZ LYS A 64 -8.808 2.428 -12.134 1.00 0.00 N ATOM 0 H LYS A 64 -3.552 5.855 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.850 3.828 -8.593 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.821 3.197 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.192 2.004 -10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.972 3.567 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.649 4.653 -10.728 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.162 2.792 -12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.533 1.742 -10.985 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.362 3.335 -10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.011 4.329 -11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.789 2.773 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.442 2.424 -13.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.782 1.462 -11.751 1.00 0.00 H new ATOM 930 N CYS A 65 -1.224 2.694 -10.205 1.00 0.00 N ATOM 931 CA CYS A 65 0.127 2.088 -10.148 1.00 0.00 C ATOM 932 C CYS A 65 0.341 0.767 -9.377 1.00 0.00 C ATOM 933 O CYS A 65 0.639 -0.258 -9.990 1.00 0.00 O ATOM 934 CB CYS A 65 1.102 3.184 -9.704 1.00 0.00 C ATOM 935 SG CYS A 65 2.865 2.723 -9.944 1.00 0.00 S ATOM 0 H CYS A 65 -1.537 2.830 -11.166 1.00 0.00 H new ATOM 0 HA CYS A 65 0.312 1.726 -11.159 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.892 4.096 -10.262 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.932 3.408 -8.651 1.00 0.00 H new ATOM 940 N ASN A 66 0.138 0.780 -8.063 1.00 0.00 N ATOM 941 CA ASN A 66 0.703 -0.189 -7.089 1.00 0.00 C ATOM 942 C ASN A 66 -0.365 -0.914 -6.222 1.00 0.00 C ATOM 943 O ASN A 66 -0.686 -0.464 -5.119 1.00 0.00 O ATOM 944 CB ASN A 66 1.692 0.605 -6.220 1.00 0.00 C ATOM 945 CG ASN A 66 1.035 1.716 -5.375 1.00 0.00 C ATOM 946 OD1 ASN A 66 1.640 2.037 -4.258 1.00 0.00 O flip ATOM 947 ND2 ASN A 66 0.047 2.358 -5.709 1.00 0.00 N flip ATOM 0 H ASN A 66 -0.445 1.487 -7.616 1.00 0.00 H new ATOM 0 HA ASN A 66 1.192 -1.000 -7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.210 -0.085 -5.554 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.448 1.053 -6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.442 2.128 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.287 3.123 -5.122 1.00 0.00 H new ATOM 954 N PRO A 67 -0.949 -2.017 -6.714 1.00 0.00 N ATOM 955 CA PRO A 67 -2.021 -2.715 -5.976 1.00 0.00 C ATOM 956 C PRO A 67 -1.529 -3.697 -4.902 1.00 0.00 C ATOM 957 O PRO A 67 -0.458 -4.292 -5.039 1.00 0.00 O ATOM 958 CB PRO A 67 -2.822 -3.421 -7.084 1.00 0.00 C ATOM 959 CG PRO A 67 -1.763 -3.746 -8.135 1.00 0.00 C ATOM 960 CD PRO A 67 -0.811 -2.549 -8.081 1.00 0.00 C ATOM 0 HA PRO A 67 -2.612 -2.011 -5.390 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.311 -4.322 -6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.604 -2.777 -7.487 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.246 -4.678 -7.906 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.205 -3.861 -9.125 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.216 -2.851 -8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.077 -1.799 -8.826 1.00 0.00 H new ATOM 968 N HIS A 68 -2.358 -3.825 -3.873 1.00 0.00 N ATOM 969 CA HIS A 68 -2.279 -4.846 -2.790 1.00 0.00 C ATOM 970 C HIS A 68 -1.423 -6.128 -3.044 1.00 0.00 C ATOM 971 O HIS A 68 -0.377 -6.252 -2.403 1.00 0.00 O ATOM 972 CB HIS A 68 -3.716 -5.105 -2.251 1.00 0.00 C ATOM 973 CG HIS A 68 -3.946 -6.382 -1.424 1.00 0.00 C ATOM 974 ND1 HIS A 68 -3.590 -7.610 -1.803 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.098 -6.453 -0.101 1.00 0.00 C ATOM 976 CE1 HIS A 68 -3.358 -8.377 -0.746 1.00 0.00 C ATOM 977 NE2 HIS A 68 -3.705 -7.656 0.311 1.00 0.00 N ATOM 0 H HIS A 68 -3.151 -3.196 -3.748 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.660 -4.410 -2.006 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.004 -4.251 -1.638 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.395 -5.129 -3.103 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.477 -5.664 0.532 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.966 -9.383 -0.746 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.676 -7.971 1.281 1.00 0.00 H new ATOM 985 N PRO A 69 -1.796 -7.025 -3.971 1.00 0.00 N ATOM 986 CA PRO A 69 -1.269 -8.407 -4.059 1.00 0.00 C ATOM 987 C PRO A 69 0.214 -8.489 -4.423 1.00 0.00 C ATOM 988 O PRO A 69 0.905 -7.497 -4.598 1.00 0.00 O ATOM 989 CB PRO A 69 -2.161 -9.072 -5.120 1.00 0.00 C ATOM 990 CG PRO A 69 -2.493 -7.933 -6.075 1.00 0.00 C ATOM 991 CD PRO A 69 -2.707 -6.767 -5.103 1.00 0.00 C ATOM 0 HA PRO A 69 -1.307 -8.905 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.641 -9.883 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.061 -9.499 -4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.682 -7.738 -6.777 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.384 -8.141 -6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.481 -5.813 -5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.744 -6.719 -4.770 1.00 0.00 H new ATOM 999 N LYS A 70 0.679 -9.729 -4.536 1.00 0.00 N ATOM 1000 CA LYS A 70 2.026 -10.008 -5.038 1.00 0.00 C ATOM 1001 C LYS A 70 2.163 -9.633 -6.521 1.00 0.00 C ATOM 1002 O LYS A 70 1.451 -10.181 -7.367 1.00 0.00 O ATOM 1003 CB LYS A 70 2.421 -11.455 -4.766 1.00 0.00 C ATOM 1004 CG LYS A 70 3.151 -11.529 -3.439 1.00 0.00 C ATOM 1005 CD LYS A 70 4.564 -10.938 -3.602 1.00 0.00 C ATOM 1006 CE LYS A 70 5.394 -10.957 -2.320 1.00 0.00 C ATOM 1007 NZ LYS A 70 4.746 -10.146 -1.274 1.00 0.00 N ATOM 0 H LYS A 70 0.144 -10.561 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 70 2.727 -9.377 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.535 -12.089 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.059 -11.828 -5.567 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.600 -10.979 -2.676 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.214 -12.564 -3.102 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.094 -11.496 -4.374 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.479 -9.910 -3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.513 -11.983 -1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.393 -10.571 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.391 -9.388 -0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.872 -9.727 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.516 -10.750 -0.459 1.00 0.00 H new ATOM 1021 N GLN A 71 2.823 -8.498 -6.718 1.00 0.00 N ATOM 1022 CA GLN A 71 3.160 -7.984 -8.067 1.00 0.00 C ATOM 1023 C GLN A 71 4.165 -8.908 -8.785 1.00 0.00 C ATOM 1024 O GLN A 71 5.345 -8.621 -8.953 1.00 0.00 O ATOM 1025 CB GLN A 71 3.640 -6.526 -7.982 1.00 0.00 C ATOM 1026 CG GLN A 71 2.467 -5.590 -7.650 1.00 0.00 C ATOM 1027 CD GLN A 71 2.820 -4.129 -7.941 1.00 0.00 C ATOM 1028 OE1 GLN A 71 3.242 -3.368 -7.090 1.00 0.00 O ATOM 1029 NE2 GLN A 71 2.619 -3.716 -9.175 1.00 0.00 N ATOM 0 H GLN A 71 3.145 -7.899 -5.958 1.00 0.00 H new ATOM 0 HA GLN A 71 2.258 -7.987 -8.679 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.412 -6.435 -7.218 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.092 -6.230 -8.929 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.593 -5.878 -8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.198 -5.699 -6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.265 -4.364 -9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.817 -2.748 -9.427 1.00 0.00 H new ATOM 1038 N ARG A 72 3.597 -10.017 -9.233 1.00 0.00 N ATOM 1039 CA ARG A 72 4.330 -11.159 -9.808 1.00 0.00 C ATOM 1040 C ARG A 72 4.194 -11.240 -11.335 1.00 0.00 C ATOM 1041 O ARG A 72 3.080 -11.116 -11.867 1.00 0.00 O ATOM 1042 CB ARG A 72 3.916 -12.456 -9.082 1.00 0.00 C ATOM 1043 CG ARG A 72 2.438 -12.836 -9.217 1.00 0.00 C ATOM 1044 CD ARG A 72 1.908 -13.637 -8.023 1.00 0.00 C ATOM 1045 NE ARG A 72 2.523 -14.964 -7.870 1.00 0.00 N ATOM 1046 CZ ARG A 72 2.130 -15.905 -7.014 1.00 0.00 C ATOM 1047 NH1 ARG A 72 0.977 -15.826 -6.344 1.00 0.00 N ATOM 1048 NH2 ARG A 72 2.775 -17.066 -6.957 1.00 0.00 N ATOM 0 H ARG A 72 2.588 -10.162 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 72 5.397 -11.011 -9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.522 -13.277 -9.465 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.153 -12.352 -8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.845 -11.928 -9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.302 -13.420 -10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.075 -13.063 -7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.830 -13.758 -8.130 1.00 0.00 H new ATOM 0 HE ARG A 72 3.318 -15.182 -8.471 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.362 -15.024 -6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.711 -16.568 -5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.572 -17.237 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.473 -17.786 -6.301 1.00 0.00 H new ATOM 1062 N PRO A 73 5.322 -11.325 -12.050 1.00 0.00 N ATOM 1063 CA PRO A 73 5.355 -11.484 -13.516 1.00 0.00 C ATOM 1064 C PRO A 73 4.685 -12.807 -13.916 1.00 0.00 C ATOM 1065 O PRO A 73 4.945 -13.841 -13.316 1.00 0.00 O ATOM 1066 CB PRO A 73 6.835 -11.516 -13.888 1.00 0.00 C ATOM 1067 CG PRO A 73 7.506 -10.732 -12.754 1.00 0.00 C ATOM 1068 CD PRO A 73 6.691 -11.127 -11.522 1.00 0.00 C ATOM 0 HA PRO A 73 4.824 -10.679 -14.025 1.00 0.00 H new ATOM 0 HB2 PRO A 73 7.212 -12.537 -13.948 1.00 0.00 H new ATOM 0 HB3 PRO A 73 7.015 -11.052 -14.858 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.556 -11.002 -12.645 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.470 -9.657 -12.932 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.077 -12.037 -11.062 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.717 -10.349 -10.759 1.00 0.00 H new ATOM 1076 N GLY A 74 3.888 -12.740 -14.980 1.00 0.00 N ATOM 1077 CA GLY A 74 3.117 -13.893 -15.505 1.00 0.00 C ATOM 1078 C GLY A 74 4.026 -14.992 -16.096 1.00 0.00 C ATOM 1079 O GLY A 74 4.007 -16.115 -15.557 1.00 0.00 O ATOM 0 H GLY A 74 3.750 -11.883 -15.515 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.513 -14.318 -14.703 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.427 -13.545 -16.273 1.00 0.00 H new TER 1083 GLY A 74 ATOM 1084 N LYS B 75 -2.701 7.693 8.802 1.00 0.00 N ATOM 1085 CA LYS B 75 -3.984 6.958 8.906 1.00 0.00 C ATOM 1086 C LYS B 75 -4.299 6.136 7.638 1.00 0.00 C ATOM 1087 O LYS B 75 -4.867 6.622 6.660 1.00 0.00 O ATOM 1088 CB LYS B 75 -5.099 7.947 9.268 1.00 0.00 C ATOM 1089 CG LYS B 75 -6.402 7.230 9.648 1.00 0.00 C ATOM 1090 CD LYS B 75 -7.473 8.233 10.083 1.00 0.00 C ATOM 1091 CE LYS B 75 -8.810 7.542 10.356 1.00 0.00 C ATOM 1092 NZ LYS B 75 -8.725 6.618 11.498 1.00 0.00 N ATOM 0 HA LYS B 75 -3.904 6.219 9.703 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -4.773 8.572 10.099 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.283 8.611 8.423 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -6.764 6.652 8.798 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -6.210 6.524 10.456 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -7.142 8.754 10.981 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.604 8.987 9.307 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -9.574 8.294 10.553 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -9.124 6.994 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -9.506 6.809 12.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -8.792 5.638 11.157 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -7.817 6.753 11.987 1.00 0.00 H new ATOM 1108 N HIS B 76 -3.881 4.883 7.718 1.00 0.00 N ATOM 1109 CA HIS B 76 -3.878 3.932 6.589 1.00 0.00 C ATOM 1110 C HIS B 76 -4.194 2.516 7.090 1.00 0.00 C ATOM 1111 O HIS B 76 -3.883 2.159 8.225 1.00 0.00 O ATOM 1112 CB HIS B 76 -2.517 3.942 5.888 1.00 0.00 C ATOM 1113 CG HIS B 76 -2.105 5.319 5.377 1.00 0.00 C ATOM 1114 ND1 HIS B 76 -1.358 6.204 6.040 1.00 0.00 N ATOM 1115 CD2 HIS B 76 -2.496 5.891 4.238 1.00 0.00 C ATOM 1116 CE1 HIS B 76 -1.327 7.331 5.341 1.00 0.00 C ATOM 1117 NE2 HIS B 76 -2.029 7.144 4.232 1.00 0.00 N ATOM 0 H HIS B 76 -3.524 4.478 8.583 1.00 0.00 H new ATOM 0 HA HIS B 76 -4.644 4.238 5.877 1.00 0.00 H new ATOM 0 HB2 HIS B 76 -1.758 3.578 6.581 1.00 0.00 H new ATOM 0 HB3 HIS B 76 -2.544 3.245 5.050 1.00 0.00 H new ATOM 0 HD2 HIS B 76 -3.084 5.426 3.460 1.00 0.00 H new ATOM 0 HE1 HIS B 76 -0.819 8.241 5.625 1.00 0.00 H new ATOM 0 HE2 HIS B 76 -2.186 7.837 3.500 1.00 0.00 H new ATOM 1125 N TRP B 77 -4.780 1.742 6.191 1.00 0.00 N ATOM 1126 CA TRP B 77 -5.245 0.372 6.488 1.00 0.00 C ATOM 1127 C TRP B 77 -4.420 -0.745 5.842 1.00 0.00 C ATOM 1128 O TRP B 77 -3.888 -0.603 4.738 1.00 0.00 O ATOM 1129 CB TRP B 77 -6.702 0.241 6.046 1.00 0.00 C ATOM 1130 CG TRP B 77 -7.689 0.633 7.140 1.00 0.00 C ATOM 1131 CD1 TRP B 77 -8.321 -0.252 7.898 1.00 0.00 C ATOM 1132 CD2 TRP B 77 -8.037 1.898 7.591 1.00 0.00 C ATOM 1133 NE1 TRP B 77 -9.041 0.370 8.831 1.00 0.00 N ATOM 1134 CE2 TRP B 77 -8.894 1.688 8.685 1.00 0.00 C ATOM 1135 CE3 TRP B 77 -7.740 3.214 7.165 1.00 0.00 C ATOM 1136 CZ2 TRP B 77 -9.472 2.781 9.374 1.00 0.00 C ATOM 1137 CZ3 TRP B 77 -8.314 4.304 7.846 1.00 0.00 C ATOM 1138 CH2 TRP B 77 -9.181 4.094 8.936 1.00 0.00 C ATOM 0 H TRP B 77 -4.953 2.035 5.229 1.00 0.00 H new ATOM 0 HA TRP B 77 -5.127 0.239 7.563 1.00 0.00 H new ATOM 0 HB2 TRP B 77 -6.869 0.868 5.170 1.00 0.00 H new ATOM 0 HB3 TRP B 77 -6.894 -0.788 5.742 1.00 0.00 H new ATOM 0 HD1 TRP B 77 -8.261 -1.323 7.777 1.00 0.00 H new ATOM 0 HE1 TRP B 77 -9.612 -0.087 9.542 1.00 0.00 H new ATOM 0 HE3 TRP B 77 -7.080 3.380 6.326 1.00 0.00 H new ATOM 0 HZ2 TRP B 77 -10.124 2.615 10.219 1.00 0.00 H new ATOM 0 HZ3 TRP B 77 -8.087 5.311 7.530 1.00 0.00 H new ATOM 0 HH2 TRP B 77 -9.626 4.940 9.440 1.00 0.00 H new ATOM 1149 N VAL B 78 -4.222 -1.768 6.666 1.00 0.00 N ATOM 1150 CA VAL B 78 -3.820 -3.111 6.212 1.00 0.00 C ATOM 1151 C VAL B 78 -4.990 -3.863 5.557 1.00 0.00 C ATOM 1152 O VAL B 78 -6.110 -3.902 6.054 1.00 0.00 O ATOM 1153 CB VAL B 78 -3.212 -4.017 7.299 1.00 0.00 C ATOM 1154 CG1 VAL B 78 -1.781 -3.612 7.671 1.00 0.00 C ATOM 1155 CG2 VAL B 78 -4.085 -4.142 8.564 1.00 0.00 C ATOM 0 H VAL B 78 -4.335 -1.697 7.677 1.00 0.00 H new ATOM 0 HA VAL B 78 -3.032 -2.906 5.487 1.00 0.00 H new ATOM 0 HB VAL B 78 -3.177 -5.006 6.841 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -1.401 -4.284 8.441 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -1.144 -3.675 6.789 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -1.779 -2.589 8.048 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -3.591 -4.795 9.284 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -4.227 -3.156 9.007 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -5.054 -4.563 8.297 1.00 0.00 H new ATOM 1165 N TYR B 79 -4.675 -4.390 4.388 1.00 0.00 N ATOM 1166 CA TYR B 79 -5.513 -5.352 3.654 1.00 0.00 C ATOM 1167 C TYR B 79 -4.715 -6.628 3.382 1.00 0.00 C ATOM 1168 O TYR B 79 -3.505 -6.603 3.143 1.00 0.00 O ATOM 1169 CB TYR B 79 -6.039 -4.740 2.355 1.00 0.00 C ATOM 1170 CG TYR B 79 -7.334 -3.957 2.607 1.00 0.00 C ATOM 1171 CD1 TYR B 79 -8.568 -4.643 2.528 1.00 0.00 C ATOM 1172 CD2 TYR B 79 -7.263 -2.576 2.858 1.00 0.00 C ATOM 1173 CE1 TYR B 79 -9.761 -3.912 2.708 1.00 0.00 C ATOM 1174 CE2 TYR B 79 -8.455 -1.845 3.037 1.00 0.00 C ATOM 1175 CZ TYR B 79 -9.690 -2.531 2.958 1.00 0.00 C ATOM 1176 OH TYR B 79 -10.833 -1.826 3.159 1.00 0.00 O ATOM 0 H TYR B 79 -3.809 -4.162 3.900 1.00 0.00 H new ATOM 0 HA TYR B 79 -6.378 -5.606 4.266 1.00 0.00 H new ATOM 0 HB2 TYR B 79 -5.286 -4.078 1.928 1.00 0.00 H new ATOM 0 HB3 TYR B 79 -6.221 -5.528 1.624 1.00 0.00 H new ATOM 0 HD1 TYR B 79 -8.597 -5.705 2.334 1.00 0.00 H new ATOM 0 HD2 TYR B 79 -6.305 -2.080 2.913 1.00 0.00 H new ATOM 0 HE1 TYR B 79 -10.719 -4.408 2.654 1.00 0.00 H new ATOM 0 HE2 TYR B 79 -8.426 -0.783 3.231 1.00 0.00 H new ATOM 0 HH TYR B 79 -10.613 -0.885 3.320 1.00 0.00 H new ATOM 1186 N TYR B 80 -5.453 -7.735 3.416 1.00 0.00 N ATOM 1187 CA TYR B 80 -4.872 -9.089 3.320 1.00 0.00 C ATOM 1188 C TYR B 80 -5.266 -9.909 2.083 1.00 0.00 C ATOM 1189 O TYR B 80 -4.617 -10.969 1.893 1.00 0.00 O ATOM 1190 CB TYR B 80 -5.160 -9.873 4.608 1.00 0.00 C ATOM 1191 CG TYR B 80 -4.266 -9.462 5.790 1.00 0.00 C ATOM 1192 CD1 TYR B 80 -4.574 -8.288 6.516 1.00 0.00 C ATOM 1193 CD2 TYR B 80 -3.297 -10.375 6.254 1.00 0.00 C ATOM 1194 CE1 TYR B 80 -3.928 -8.037 7.737 1.00 0.00 C ATOM 1195 CE2 TYR B 80 -2.651 -10.133 7.479 1.00 0.00 C ATOM 1196 CZ TYR B 80 -2.969 -8.970 8.204 1.00 0.00 C ATOM 1197 OH TYR B 80 -2.320 -8.718 9.368 1.00 0.00 O ATOM 0 H TYR B 80 -6.469 -7.728 3.510 1.00 0.00 H new ATOM 0 HA TYR B 80 -3.802 -8.926 3.194 1.00 0.00 H new ATOM 0 HB2 TYR B 80 -6.204 -9.729 4.886 1.00 0.00 H new ATOM 0 HB3 TYR B 80 -5.025 -10.937 4.414 1.00 0.00 H new ATOM 0 HD1 TYR B 80 -5.302 -7.588 6.133 1.00 0.00 H new ATOM 0 HD2 TYR B 80 -3.053 -11.252 5.674 1.00 0.00 H new ATOM 0 HE1 TYR B 80 -4.157 -7.150 8.309 1.00 0.00 H new ATOM 0 HE2 TYR B 80 -1.920 -10.831 7.859 1.00 0.00 H new ATOM 0 HH TYR B 80 -1.694 -9.448 9.558 1.00 0.00 H new TER 1207 TYR B 80