USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=23 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 5 THR OG1 : rot -34:sc= 0.944! USER MOD Set 1.2: A 8 THR OG1 : rot 49:sc= -1.79! USER MOD Single : A 1 ILE N :NH3+ -110:sc= -0.868 (180deg=-2.68!) USER MOD Single : A 4 HIS : no HD1:sc= -17.3! C(o=-17!,f=-17!) USER MOD Single : A 6 THR OG1 : rot -73:sc= -10.5! USER MOD Single : A 9 SER OG : rot 180:sc= -0.12 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0444 USER MOD Single : A 21 ASN : amide:sc= -3 K(o=-3,f=-0.097) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= 1.08 (180deg=0.919) USER MOD Single : A 27 MET CE :methyl -137:sc= -0.308 (180deg=-1.59!) USER MOD Single : A 34 SER OG : rot -93:sc= 0.0721 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= -0.305 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 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0766 USER MOD Single : A 62 THR OG1 : rot 103:sc= -0.0019 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -7.71! C(o=-7.7!,f=-12!) USER MOD Single : A 68 HIS : no HD1:sc= -16.9! C(o=-17!,f=-18!) USER MOD Single : A 70 LYS NZ :NH3+ -129:sc= -9.19! (180deg=-14.7!) USER MOD Single : A 71 GLN : amide:sc= -0.578 K(o=-0.58,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= -1.65! USER MOD Single : B 4 TYR OH : rot -120:sc= -0.294! USER MOD Single : B 6 SER OG : rot 180:sc= 0 USER MOD Single : B 7 SER OG : rot -106:sc= -1.03! USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 7.072 15.524 -2.361 1.00 0.00 N ATOM 2 CA ILE A 1 5.868 14.780 -2.832 1.00 0.00 C ATOM 3 C ILE A 1 5.177 14.090 -1.653 1.00 0.00 C ATOM 4 O ILE A 1 5.543 14.278 -0.510 1.00 0.00 O ATOM 5 CB ILE A 1 6.404 13.744 -3.820 1.00 0.00 C ATOM 6 CG1 ILE A 1 7.596 13.015 -3.195 1.00 0.00 C ATOM 7 CG2 ILE A 1 6.853 14.445 -5.103 1.00 0.00 C ATOM 8 CD1 ILE A 1 7.467 11.512 -3.451 1.00 0.00 C ATOM 0 H1 ILE A 1 6.897 16.547 -2.429 1.00 0.00 H new ATOM 0 H2 ILE A 1 7.271 15.272 -1.372 1.00 0.00 H new ATOM 0 H3 ILE A 1 7.889 15.272 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 1 5.130 15.438 -3.291 1.00 0.00 H new ATOM 0 HB ILE A 1 5.618 13.026 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 1 8.528 13.388 -3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 1 7.634 13.210 -2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.235 13.706 -5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.006 14.966 -5.548 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.639 15.163 -4.869 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.316 10.993 -3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 1 6.543 11.145 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 1 7.450 11.326 -4.525 1.00 0.00 H new ATOM 22 N VAL A 2 4.180 13.292 -1.922 1.00 0.00 N ATOM 23 CA VAL A 2 3.466 12.589 -0.816 1.00 0.00 C ATOM 24 C VAL A 2 3.247 11.123 -1.181 1.00 0.00 C ATOM 25 O VAL A 2 3.263 10.749 -2.336 1.00 0.00 O ATOM 26 CB VAL A 2 2.121 13.301 -0.686 1.00 0.00 C ATOM 27 CG1 VAL A 2 1.488 12.964 0.663 1.00 0.00 C ATOM 28 CG2 VAL A 2 2.330 14.812 -0.781 1.00 0.00 C ATOM 0 H VAL A 2 3.828 13.096 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 2 4.033 12.613 0.114 1.00 0.00 H new ATOM 0 HB VAL A 2 1.462 12.971 -1.490 1.00 0.00 H new ATOM 0 HG11 VAL A 2 0.529 13.474 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.335 11.887 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.148 13.290 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.369 15.319 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 2 2.992 15.139 0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.778 15.058 -1.744 1.00 0.00 H new ATOM 38 N CYS A 3 3.048 10.289 -0.202 1.00 0.00 N ATOM 39 CA CYS A 3 2.834 8.843 -0.488 1.00 0.00 C ATOM 40 C CYS A 3 1.581 8.343 0.230 1.00 0.00 C ATOM 41 O CYS A 3 1.189 8.881 1.240 1.00 0.00 O ATOM 42 CB CYS A 3 4.066 8.142 0.066 1.00 0.00 C ATOM 43 SG CYS A 3 5.554 9.131 -0.251 1.00 0.00 S ATOM 0 H CYS A 3 3.024 10.545 0.785 1.00 0.00 H new ATOM 0 HA CYS A 3 2.696 8.653 -1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.950 7.982 1.138 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.170 7.159 -0.394 1.00 0.00 H new ATOM 48 N HIS A 4 0.958 7.308 -0.272 1.00 0.00 N ATOM 49 CA HIS A 4 -0.273 6.786 0.400 1.00 0.00 C ATOM 50 C HIS A 4 0.060 5.601 1.298 1.00 0.00 C ATOM 51 O HIS A 4 1.070 4.956 1.130 1.00 0.00 O ATOM 52 CB HIS A 4 -1.192 6.321 -0.710 1.00 0.00 C ATOM 53 CG HIS A 4 -1.427 7.423 -1.707 1.00 0.00 C ATOM 54 ND1 HIS A 4 -1.955 8.649 -1.340 1.00 0.00 N ATOM 55 CD2 HIS A 4 -1.235 7.489 -3.064 1.00 0.00 C ATOM 56 CE1 HIS A 4 -2.063 9.394 -2.456 1.00 0.00 C ATOM 57 NE2 HIS A 4 -1.637 8.734 -3.535 1.00 0.00 N ATOM 0 H HIS A 4 1.244 6.804 -1.111 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.728 7.557 1.021 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.755 5.458 -1.212 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.144 5.997 -0.288 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.832 6.694 -3.674 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -2.448 10.403 -2.476 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.612 9.070 -4.498 1.00 0.00 H new ATOM 65 N THR A 5 -0.782 5.290 2.245 1.00 0.00 N ATOM 66 CA THR A 5 -0.480 4.135 3.124 1.00 0.00 C ATOM 67 C THR A 5 -1.677 3.199 3.212 1.00 0.00 C ATOM 68 O THR A 5 -2.706 3.522 3.771 1.00 0.00 O ATOM 69 CB THR A 5 -0.188 4.710 4.505 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.367 4.658 5.292 1.00 0.00 O ATOM 71 CG2 THR A 5 0.314 6.157 4.412 1.00 0.00 C ATOM 0 H THR A 5 -1.654 5.781 2.444 1.00 0.00 H new ATOM 0 HA THR A 5 0.362 3.564 2.733 1.00 0.00 H new ATOM 0 HB THR A 5 0.597 4.113 4.970 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.149 4.804 4.720 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.513 6.538 5.414 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.231 6.187 3.823 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.445 6.775 3.933 1.00 0.00 H new ATOM 79 N THR A 6 -1.531 2.030 2.697 1.00 0.00 N ATOM 80 CA THR A 6 -2.622 1.035 2.784 1.00 0.00 C ATOM 81 C THR A 6 -2.402 0.200 4.044 1.00 0.00 C ATOM 82 O THR A 6 -3.278 -0.497 4.515 1.00 0.00 O ATOM 83 CB THR A 6 -2.408 0.156 1.566 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.237 -0.601 1.787 1.00 0.00 O ATOM 85 CG2 THR A 6 -2.240 1.029 0.321 1.00 0.00 C ATOM 0 H THR A 6 -0.693 1.711 2.211 1.00 0.00 H new ATOM 0 HA THR A 6 -3.618 1.476 2.820 1.00 0.00 H new ATOM 0 HB THR A 6 -3.263 -0.502 1.410 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.452 -0.021 1.702 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.087 0.393 -0.551 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.136 1.633 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.378 1.683 0.449 1.00 0.00 H new ATOM 93 N ALA A 7 -1.195 0.236 4.554 1.00 0.00 N ATOM 94 CA ALA A 7 -0.849 -0.587 5.742 1.00 0.00 C ATOM 95 C ALA A 7 -1.062 0.160 7.063 1.00 0.00 C ATOM 96 O ALA A 7 -1.341 -0.445 8.080 1.00 0.00 O ATOM 97 CB ALA A 7 0.623 -0.933 5.526 1.00 0.00 C ATOM 0 H ALA A 7 -0.432 0.807 4.191 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.488 -1.466 5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.979 -1.544 6.355 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.734 -1.487 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.209 -0.015 5.475 1.00 0.00 H new ATOM 103 N THR A 8 -0.948 1.455 7.073 1.00 0.00 N ATOM 104 CA THR A 8 -1.164 2.194 8.350 1.00 0.00 C ATOM 105 C THR A 8 -2.595 2.731 8.361 1.00 0.00 C ATOM 106 O THR A 8 -3.540 1.968 8.399 1.00 0.00 O ATOM 107 CB THR A 8 -0.135 3.327 8.340 1.00 0.00 C ATOM 108 OG1 THR A 8 -0.053 3.880 7.035 1.00 0.00 O ATOM 109 CG2 THR A 8 1.233 2.779 8.747 1.00 0.00 C ATOM 0 H THR A 8 -0.717 2.032 6.264 1.00 0.00 H new ATOM 0 HA THR A 8 -1.040 1.575 9.239 1.00 0.00 H new ATOM 0 HB THR A 8 -0.441 4.100 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.956 4.063 6.700 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.965 3.586 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 8 1.171 2.354 9.749 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.539 2.005 8.043 1.00 0.00 H new ATOM 117 N SER A 9 -2.785 4.016 8.291 1.00 0.00 N ATOM 118 CA SER A 9 -4.179 4.528 8.257 1.00 0.00 C ATOM 119 C SER A 9 -4.781 4.123 6.914 1.00 0.00 C ATOM 120 O SER A 9 -4.130 3.452 6.137 1.00 0.00 O ATOM 121 CB SER A 9 -4.054 6.047 8.365 1.00 0.00 C ATOM 122 OG SER A 9 -4.675 6.485 9.566 1.00 0.00 O ATOM 0 H SER A 9 -2.050 4.723 8.256 1.00 0.00 H new ATOM 0 HA SER A 9 -4.813 4.139 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.004 6.338 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.523 6.524 7.505 1.00 0.00 H new ATOM 0 HG SER A 9 -4.595 7.459 9.639 1.00 0.00 H new ATOM 128 N PRO A 10 -5.986 4.535 6.659 1.00 0.00 N ATOM 129 CA PRO A 10 -6.616 4.184 5.372 1.00 0.00 C ATOM 130 C PRO A 10 -5.903 4.900 4.238 1.00 0.00 C ATOM 131 O PRO A 10 -5.364 5.974 4.415 1.00 0.00 O ATOM 132 CB PRO A 10 -8.050 4.660 5.519 1.00 0.00 C ATOM 133 CG PRO A 10 -7.997 5.719 6.576 1.00 0.00 C ATOM 134 CD PRO A 10 -6.864 5.351 7.503 1.00 0.00 C ATOM 0 HA PRO A 10 -6.566 3.120 5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.432 5.058 4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.710 3.843 5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.831 6.701 6.132 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.940 5.771 7.120 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.350 6.235 7.880 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.219 4.794 8.370 1.00 0.00 H new ATOM 142 N ILE A 11 -5.877 4.294 3.085 1.00 0.00 N ATOM 143 CA ILE A 11 -5.182 4.908 1.926 1.00 0.00 C ATOM 144 C ILE A 11 -5.330 6.424 1.961 1.00 0.00 C ATOM 145 O ILE A 11 -6.372 6.989 1.696 1.00 0.00 O ATOM 146 CB ILE A 11 -5.797 4.267 0.670 1.00 0.00 C ATOM 147 CG1 ILE A 11 -4.660 3.577 -0.089 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.464 5.317 -0.230 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.045 3.357 -1.556 1.00 0.00 C ATOM 0 H ILE A 11 -6.312 3.391 2.897 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.108 4.725 1.940 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.571 3.556 0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.757 4.184 -0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.431 2.620 0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.887 4.828 -1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.257 5.820 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.722 6.050 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.224 2.866 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.935 2.730 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.250 4.319 -2.026 1.00 0.00 H new ATOM 161 N SER A 12 -4.264 7.062 2.300 1.00 0.00 N ATOM 162 CA SER A 12 -4.241 8.539 2.385 1.00 0.00 C ATOM 163 C SER A 12 -2.822 8.981 2.085 1.00 0.00 C ATOM 164 O SER A 12 -1.877 8.298 2.440 1.00 0.00 O ATOM 165 CB SER A 12 -4.628 8.873 3.825 1.00 0.00 C ATOM 166 OG SER A 12 -3.485 8.739 4.661 1.00 0.00 O ATOM 0 H SER A 12 -3.378 6.612 2.530 1.00 0.00 H new ATOM 0 HA SER A 12 -4.917 9.034 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.018 9.889 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.421 8.207 4.164 1.00 0.00 H new ATOM 0 HG SER A 12 -3.729 8.954 5.586 1.00 0.00 H new ATOM 172 N ALA A 13 -2.650 10.079 1.411 1.00 0.00 N ATOM 173 CA ALA A 13 -1.271 10.504 1.072 1.00 0.00 C ATOM 174 C ALA A 13 -0.743 11.564 2.027 1.00 0.00 C ATOM 175 O ALA A 13 -1.255 12.663 2.104 1.00 0.00 O ATOM 176 CB ALA A 13 -1.356 11.082 -0.331 1.00 0.00 C ATOM 0 H ALA A 13 -3.395 10.694 1.084 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.587 9.658 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.368 11.417 -0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.716 10.317 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.045 11.927 -0.335 1.00 0.00 H new ATOM 182 N VAL A 14 0.314 11.256 2.716 1.00 0.00 N ATOM 183 CA VAL A 14 0.918 12.259 3.621 1.00 0.00 C ATOM 184 C VAL A 14 2.386 12.409 3.255 1.00 0.00 C ATOM 185 O VAL A 14 3.064 11.453 2.924 1.00 0.00 O ATOM 186 CB VAL A 14 0.757 11.743 5.060 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.516 10.914 5.168 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.969 10.891 5.459 1.00 0.00 C ATOM 0 H VAL A 14 0.785 10.352 2.690 1.00 0.00 H new ATOM 0 HA VAL A 14 0.436 13.233 3.532 1.00 0.00 H new ATOM 0 HB VAL A 14 0.691 12.596 5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.627 10.550 6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.376 11.532 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.457 10.067 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.841 10.532 6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.054 10.040 4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.874 11.495 5.397 1.00 0.00 H new ATOM 198 N THR A 15 2.867 13.595 3.306 1.00 0.00 N ATOM 199 CA THR A 15 4.293 13.832 2.965 1.00 0.00 C ATOM 200 C THR A 15 5.198 13.020 3.895 1.00 0.00 C ATOM 201 O THR A 15 4.869 12.779 5.039 1.00 0.00 O ATOM 202 CB THR A 15 4.501 15.317 3.204 1.00 0.00 C ATOM 203 OG1 THR A 15 3.418 16.045 2.639 1.00 0.00 O ATOM 204 CG2 THR A 15 5.812 15.752 2.554 1.00 0.00 C ATOM 0 H THR A 15 2.339 14.427 3.570 1.00 0.00 H new ATOM 0 HA THR A 15 4.531 13.536 1.943 1.00 0.00 H new ATOM 0 HB THR A 15 4.544 15.515 4.275 1.00 0.00 H new ATOM 0 HG1 THR A 15 3.551 17.003 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.966 16.818 2.723 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.638 15.192 2.992 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.769 15.557 1.482 1.00 0.00 H new ATOM 212 N CYS A 16 6.339 12.602 3.419 1.00 0.00 N ATOM 213 CA CYS A 16 7.259 11.816 4.285 1.00 0.00 C ATOM 214 C CYS A 16 8.653 12.454 4.283 1.00 0.00 C ATOM 215 O CYS A 16 9.479 12.158 3.443 1.00 0.00 O ATOM 216 CB CYS A 16 7.282 10.421 3.667 1.00 0.00 C ATOM 217 SG CYS A 16 5.978 9.419 4.427 1.00 0.00 S ATOM 0 H CYS A 16 6.672 12.771 2.470 1.00 0.00 H new ATOM 0 HA CYS A 16 6.937 11.784 5.326 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.129 10.484 2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.255 9.955 3.824 1.00 0.00 H new ATOM 222 N PRO A 17 8.847 13.329 5.235 1.00 0.00 N ATOM 223 CA PRO A 17 10.133 14.058 5.374 1.00 0.00 C ATOM 224 C PRO A 17 11.270 13.216 6.002 1.00 0.00 C ATOM 225 O PRO A 17 12.424 13.509 5.760 1.00 0.00 O ATOM 226 CB PRO A 17 9.779 15.219 6.299 1.00 0.00 C ATOM 227 CG PRO A 17 8.596 14.754 7.088 1.00 0.00 C ATOM 228 CD PRO A 17 7.873 13.724 6.259 1.00 0.00 C ATOM 0 HA PRO A 17 10.520 14.350 4.397 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.614 15.468 6.954 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.542 16.117 5.729 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.914 14.326 8.039 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.937 15.591 7.319 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.566 12.871 6.865 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.970 14.138 5.810 1.00 0.00 H new ATOM 236 N PRO A 18 10.949 12.226 6.812 1.00 0.00 N ATOM 237 CA PRO A 18 12.028 11.432 7.459 1.00 0.00 C ATOM 238 C PRO A 18 12.808 10.585 6.446 1.00 0.00 C ATOM 239 O PRO A 18 12.786 10.837 5.258 1.00 0.00 O ATOM 240 CB PRO A 18 11.286 10.559 8.468 1.00 0.00 C ATOM 241 CG PRO A 18 9.894 10.461 7.943 1.00 0.00 C ATOM 242 CD PRO A 18 9.614 11.743 7.202 1.00 0.00 C ATOM 0 HA PRO A 18 12.782 12.066 7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.746 9.575 8.552 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.302 11.004 9.463 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.791 9.602 7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.183 10.323 8.758 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.981 11.571 6.331 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.097 12.465 7.834 1.00 0.00 H new ATOM 250 N GLY A 19 13.519 9.601 6.933 1.00 0.00 N ATOM 251 CA GLY A 19 14.347 8.724 6.049 1.00 0.00 C ATOM 252 C GLY A 19 13.690 8.531 4.682 1.00 0.00 C ATOM 253 O GLY A 19 14.334 8.648 3.659 1.00 0.00 O ATOM 0 H GLY A 19 13.562 9.364 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.336 9.164 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.489 7.754 6.526 1.00 0.00 H new ATOM 257 N GLU A 20 12.427 8.218 4.645 1.00 0.00 N ATOM 258 CA GLU A 20 11.768 8.003 3.334 1.00 0.00 C ATOM 259 C GLU A 20 11.648 9.320 2.570 1.00 0.00 C ATOM 260 O GLU A 20 10.931 10.219 2.960 1.00 0.00 O ATOM 261 CB GLU A 20 10.395 7.436 3.673 1.00 0.00 C ATOM 262 CG GLU A 20 10.558 6.013 4.207 1.00 0.00 C ATOM 263 CD GLU A 20 10.469 6.025 5.734 1.00 0.00 C ATOM 264 OE1 GLU A 20 9.697 6.813 6.256 1.00 0.00 O ATOM 265 OE2 GLU A 20 11.173 5.246 6.355 1.00 0.00 O ATOM 0 H GLU A 20 11.827 8.103 5.462 1.00 0.00 H new ATOM 0 HA GLU A 20 12.335 7.330 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.903 8.062 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.760 7.435 2.787 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.784 5.367 3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.517 5.603 3.892 1.00 0.00 H new ATOM 272 N ASN A 21 12.356 9.433 1.481 1.00 0.00 N ATOM 273 CA ASN A 21 12.304 10.681 0.676 1.00 0.00 C ATOM 274 C ASN A 21 11.319 10.517 -0.481 1.00 0.00 C ATOM 275 O ASN A 21 10.785 11.479 -0.998 1.00 0.00 O ATOM 276 CB ASN A 21 13.723 10.850 0.137 1.00 0.00 C ATOM 277 CG ASN A 21 14.667 11.296 1.260 1.00 0.00 C ATOM 278 OD1 ASN A 21 15.776 11.718 0.999 1.00 0.00 O ATOM 279 ND2 ASN A 21 14.278 11.222 2.507 1.00 0.00 N ATOM 0 H ASN A 21 12.972 8.708 1.113 1.00 0.00 H new ATOM 0 HA ASN A 21 11.976 11.541 1.260 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.072 9.910 -0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.729 11.586 -0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.905 11.518 3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.348 10.868 2.731 1.00 0.00 H new ATOM 286 N LEU A 22 11.080 9.304 -0.898 1.00 0.00 N ATOM 287 CA LEU A 22 10.137 9.081 -2.030 1.00 0.00 C ATOM 288 C LEU A 22 9.052 8.085 -1.628 1.00 0.00 C ATOM 289 O LEU A 22 9.071 7.532 -0.549 1.00 0.00 O ATOM 290 CB LEU A 22 11.000 8.495 -3.145 1.00 0.00 C ATOM 291 CG LEU A 22 11.469 7.096 -2.740 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.690 6.044 -3.533 1.00 0.00 C ATOM 293 CD2 LEU A 22 12.964 6.955 -3.039 1.00 0.00 C ATOM 0 H LEU A 22 11.496 8.460 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 22 9.633 9.999 -2.333 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.431 8.446 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.859 9.139 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 22 11.294 6.949 -1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.025 5.048 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.625 6.144 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.864 6.190 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.300 5.959 -2.751 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.137 7.103 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.520 7.703 -2.474 1.00 0.00 H new ATOM 305 N CYS A 23 8.109 7.844 -2.493 1.00 0.00 N ATOM 306 CA CYS A 23 7.033 6.877 -2.166 1.00 0.00 C ATOM 307 C CYS A 23 7.338 5.535 -2.819 1.00 0.00 C ATOM 308 O CYS A 23 8.207 5.425 -3.661 1.00 0.00 O ATOM 309 CB CYS A 23 5.758 7.481 -2.752 1.00 0.00 C ATOM 310 SG CYS A 23 5.646 9.219 -2.265 1.00 0.00 S ATOM 0 H CYS A 23 8.039 8.277 -3.414 1.00 0.00 H new ATOM 0 HA CYS A 23 6.938 6.704 -1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.767 7.395 -3.839 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.885 6.934 -2.396 1.00 0.00 H new ATOM 315 N TYR A 24 6.630 4.515 -2.447 1.00 0.00 N ATOM 316 CA TYR A 24 6.879 3.189 -3.052 1.00 0.00 C ATOM 317 C TYR A 24 5.578 2.419 -3.191 1.00 0.00 C ATOM 318 O TYR A 24 4.722 2.466 -2.335 1.00 0.00 O ATOM 319 CB TYR A 24 7.804 2.457 -2.086 1.00 0.00 C ATOM 320 CG TYR A 24 7.027 2.100 -0.844 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.235 0.949 -0.823 1.00 0.00 C ATOM 322 CD2 TYR A 24 7.094 2.923 0.277 1.00 0.00 C ATOM 323 CE1 TYR A 24 5.508 0.624 0.331 1.00 0.00 C ATOM 324 CE2 TYR A 24 6.367 2.600 1.431 1.00 0.00 C ATOM 325 CZ TYR A 24 5.575 1.450 1.457 1.00 0.00 C ATOM 326 OH TYR A 24 4.860 1.129 2.592 1.00 0.00 O ATOM 0 H TYR A 24 5.888 4.543 -1.748 1.00 0.00 H new ATOM 0 HA TYR A 24 7.316 3.284 -4.046 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.202 1.557 -2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.656 3.086 -1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.183 0.312 -1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.707 3.812 0.257 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.896 -0.265 0.350 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.419 3.240 2.299 1.00 0.00 H new ATOM 0 HH TYR A 24 5.019 1.807 3.281 1.00 0.00 H new ATOM 336 N ARG A 25 5.434 1.684 -4.242 1.00 0.00 N ATOM 337 CA ARG A 25 4.186 0.886 -4.397 1.00 0.00 C ATOM 338 C ARG A 25 4.514 -0.573 -4.062 1.00 0.00 C ATOM 339 O ARG A 25 5.361 -1.172 -4.684 1.00 0.00 O ATOM 340 CB ARG A 25 3.764 1.020 -5.870 1.00 0.00 C ATOM 341 CG ARG A 25 4.170 2.391 -6.433 1.00 0.00 C ATOM 342 CD ARG A 25 3.970 2.395 -7.950 1.00 0.00 C ATOM 343 NE ARG A 25 2.752 3.221 -8.177 1.00 0.00 N ATOM 344 CZ ARG A 25 2.289 3.380 -9.387 1.00 0.00 C ATOM 345 NH1 ARG A 25 1.619 2.417 -9.960 1.00 0.00 N ATOM 346 NH2 ARG A 25 2.495 4.500 -10.024 1.00 0.00 N ATOM 0 H ARG A 25 6.113 1.595 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 25 3.384 1.226 -3.742 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.228 0.229 -6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.685 0.892 -5.957 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.571 3.177 -5.974 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.212 2.602 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.835 2.819 -8.461 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.838 1.383 -8.333 1.00 0.00 H new ATOM 0 HE ARG A 25 2.280 3.662 -7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.458 1.541 -9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.257 2.540 -10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.018 5.252 -9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.133 4.623 -10.970 1.00 0.00 H new ATOM 360 N LYS A 26 3.890 -1.152 -3.075 1.00 0.00 N ATOM 361 CA LYS A 26 4.251 -2.550 -2.721 1.00 0.00 C ATOM 362 C LYS A 26 3.097 -3.516 -2.929 1.00 0.00 C ATOM 363 O LYS A 26 1.968 -3.129 -3.152 1.00 0.00 O ATOM 364 CB LYS A 26 4.606 -2.479 -1.244 1.00 0.00 C ATOM 365 CG LYS A 26 6.042 -2.952 -1.030 1.00 0.00 C ATOM 366 CD LYS A 26 6.552 -2.448 0.321 1.00 0.00 C ATOM 367 CE LYS A 26 7.816 -1.611 0.110 1.00 0.00 C ATOM 368 NZ LYS A 26 8.024 -0.896 1.400 1.00 0.00 N ATOM 0 H LYS A 26 3.158 -0.726 -2.507 1.00 0.00 H new ATOM 0 HA LYS A 26 5.061 -2.920 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.493 -1.457 -0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.920 -3.099 -0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.086 -4.041 -1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.681 -2.582 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.784 -1.849 0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.767 -3.291 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.671 -2.242 -0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.692 -0.909 -0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.970 -0.465 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.304 -0.153 1.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.943 -1.570 2.188 1.00 0.00 H new ATOM 382 N MET A 27 3.387 -4.783 -2.845 1.00 0.00 N ATOM 383 CA MET A 27 2.318 -5.802 -3.020 1.00 0.00 C ATOM 384 C MET A 27 2.752 -7.130 -2.429 1.00 0.00 C ATOM 385 O MET A 27 3.923 -7.385 -2.231 1.00 0.00 O ATOM 386 CB MET A 27 2.113 -5.916 -4.531 1.00 0.00 C ATOM 387 CG MET A 27 0.670 -5.556 -4.880 1.00 0.00 C ATOM 388 SD MET A 27 0.486 -5.475 -6.679 1.00 0.00 S ATOM 389 CE MET A 27 1.523 -4.017 -6.948 1.00 0.00 C ATOM 0 H MET A 27 4.318 -5.157 -2.663 1.00 0.00 H new ATOM 0 HA MET A 27 1.396 -5.522 -2.511 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.801 -5.251 -5.053 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.336 -6.930 -4.863 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.012 -6.300 -4.467 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.405 -4.598 -4.433 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.039 -3.353 -7.665 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.663 -3.491 -6.004 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.493 -4.327 -7.338 1.00 0.00 H new ATOM 399 N TRP A 28 1.811 -7.975 -2.130 1.00 0.00 N ATOM 400 CA TRP A 28 2.178 -9.278 -1.534 1.00 0.00 C ATOM 401 C TRP A 28 0.967 -10.146 -1.299 1.00 0.00 C ATOM 402 O TRP A 28 1.042 -11.357 -1.364 1.00 0.00 O ATOM 403 CB TRP A 28 2.829 -8.919 -0.210 1.00 0.00 C ATOM 404 CG TRP A 28 2.096 -7.836 0.535 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.856 -7.921 1.080 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.593 -6.517 0.877 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.564 -6.719 1.714 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.606 -5.826 1.614 1.00 0.00 C ATOM 409 CE3 TRP A 28 3.795 -5.863 0.607 1.00 0.00 C ATOM 410 CZ2 TRP A 28 1.813 -4.526 2.072 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.015 -4.556 1.065 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.024 -3.887 1.798 1.00 0.00 C ATOM 0 H TRP A 28 0.813 -7.820 -2.272 1.00 0.00 H new ATOM 0 HA TRP A 28 2.833 -9.849 -2.192 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.881 -9.810 0.415 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.854 -8.596 -0.392 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.204 -8.780 1.029 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.314 -6.523 2.194 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.563 -6.368 0.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.044 -4.017 2.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.952 -4.062 0.852 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.197 -2.881 2.150 1.00 0.00 H new ATOM 423 N CYS A 29 -0.117 -9.511 -0.993 1.00 0.00 N ATOM 424 CA CYS A 29 -1.418 -10.203 -0.690 1.00 0.00 C ATOM 425 C CYS A 29 -1.563 -10.290 0.834 1.00 0.00 C ATOM 426 O CYS A 29 -0.666 -10.744 1.515 1.00 0.00 O ATOM 427 CB CYS A 29 -1.332 -11.596 -1.312 1.00 0.00 C ATOM 428 SG CYS A 29 -2.988 -12.278 -1.548 1.00 0.00 S ATOM 0 H CYS A 29 -0.170 -8.494 -0.934 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.281 -9.672 -1.092 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.813 -11.543 -2.269 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.748 -12.254 -0.668 1.00 0.00 H new ATOM 433 N ASP A 30 -2.653 -9.830 1.392 1.00 0.00 N ATOM 434 CA ASP A 30 -2.775 -9.873 2.882 1.00 0.00 C ATOM 435 C ASP A 30 -4.224 -10.063 3.339 1.00 0.00 C ATOM 436 O ASP A 30 -5.085 -10.463 2.580 1.00 0.00 O ATOM 437 CB ASP A 30 -2.256 -8.511 3.342 1.00 0.00 C ATOM 438 CG ASP A 30 -1.435 -8.681 4.622 1.00 0.00 C ATOM 439 OD1 ASP A 30 -0.905 -9.761 4.823 1.00 0.00 O ATOM 440 OD2 ASP A 30 -1.350 -7.728 5.378 1.00 0.00 O ATOM 0 H ASP A 30 -3.450 -9.434 0.894 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.221 -10.713 3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.642 -8.062 2.561 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.091 -7.834 3.521 1.00 0.00 H new ATOM 445 N ALA A 31 -4.489 -9.779 4.591 1.00 0.00 N ATOM 446 CA ALA A 31 -5.870 -9.938 5.131 1.00 0.00 C ATOM 447 C ALA A 31 -6.440 -11.291 4.706 1.00 0.00 C ATOM 448 O ALA A 31 -6.247 -12.292 5.367 1.00 0.00 O ATOM 449 CB ALA A 31 -6.673 -8.794 4.515 1.00 0.00 C ATOM 0 H ALA A 31 -3.801 -9.442 5.264 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.899 -9.907 6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.704 -8.843 4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.234 -7.841 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.655 -8.880 3.429 1.00 0.00 H new ATOM 455 N PHE A 32 -7.121 -11.332 3.598 1.00 0.00 N ATOM 456 CA PHE A 32 -7.683 -12.618 3.115 1.00 0.00 C ATOM 457 C PHE A 32 -7.131 -12.879 1.720 1.00 0.00 C ATOM 458 O PHE A 32 -7.848 -12.818 0.741 1.00 0.00 O ATOM 459 CB PHE A 32 -9.197 -12.409 3.074 1.00 0.00 C ATOM 460 CG PHE A 32 -9.826 -13.033 4.298 1.00 0.00 C ATOM 461 CD1 PHE A 32 -9.246 -12.842 5.558 1.00 0.00 C ATOM 462 CD2 PHE A 32 -10.990 -13.801 4.172 1.00 0.00 C ATOM 463 CE1 PHE A 32 -9.830 -13.419 6.692 1.00 0.00 C ATOM 464 CE2 PHE A 32 -11.573 -14.378 5.307 1.00 0.00 C ATOM 465 CZ PHE A 32 -10.993 -14.187 6.567 1.00 0.00 C ATOM 0 H PHE A 32 -7.313 -10.525 3.004 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.428 -13.469 3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.427 -11.344 3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.612 -12.856 2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.348 -12.250 5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.438 -13.948 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.383 -13.271 7.664 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -12.471 -14.971 5.210 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.443 -14.632 7.442 1.00 0.00 H new ATOM 475 N CYS A 33 -5.850 -13.133 1.629 1.00 0.00 N ATOM 476 CA CYS A 33 -5.218 -13.366 0.300 1.00 0.00 C ATOM 477 C CYS A 33 -6.184 -14.098 -0.624 1.00 0.00 C ATOM 478 O CYS A 33 -6.408 -15.285 -0.502 1.00 0.00 O ATOM 479 CB CYS A 33 -3.975 -14.212 0.583 1.00 0.00 C ATOM 480 SG CYS A 33 -2.863 -14.171 -0.850 1.00 0.00 S ATOM 0 H CYS A 33 -5.213 -13.189 2.424 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.957 -12.434 -0.200 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.460 -13.833 1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.265 -15.240 0.800 1.00 0.00 H new ATOM 485 N SER A 34 -6.773 -13.382 -1.537 1.00 0.00 N ATOM 486 CA SER A 34 -7.753 -14.020 -2.466 1.00 0.00 C ATOM 487 C SER A 34 -7.105 -14.336 -3.816 1.00 0.00 C ATOM 488 O SER A 34 -5.974 -13.977 -4.076 1.00 0.00 O ATOM 489 CB SER A 34 -8.863 -12.985 -2.637 1.00 0.00 C ATOM 490 OG SER A 34 -8.283 -11.716 -2.909 1.00 0.00 O ATOM 0 H SER A 34 -6.621 -12.384 -1.683 1.00 0.00 H new ATOM 0 HA SER A 34 -8.125 -14.967 -2.074 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.526 -13.277 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.471 -12.934 -1.734 1.00 0.00 H new ATOM 0 HG SER A 34 -8.172 -11.221 -2.071 1.00 0.00 H new ATOM 496 N SER A 35 -7.825 -15.003 -4.679 1.00 0.00 N ATOM 497 CA SER A 35 -7.267 -15.342 -6.020 1.00 0.00 C ATOM 498 C SER A 35 -7.340 -14.120 -6.940 1.00 0.00 C ATOM 499 O SER A 35 -7.029 -14.192 -8.112 1.00 0.00 O ATOM 500 CB SER A 35 -8.157 -16.466 -6.548 1.00 0.00 C ATOM 501 OG SER A 35 -7.429 -17.234 -7.497 1.00 0.00 O ATOM 0 H SER A 35 -8.777 -15.328 -4.512 1.00 0.00 H new ATOM 0 HA SER A 35 -6.221 -15.644 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.487 -17.101 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.053 -16.050 -7.009 1.00 0.00 H new ATOM 0 HG SER A 35 -7.996 -17.957 -7.837 1.00 0.00 H new ATOM 507 N ARG A 36 -7.742 -12.995 -6.411 1.00 0.00 N ATOM 508 CA ARG A 36 -7.828 -11.760 -7.242 1.00 0.00 C ATOM 509 C ARG A 36 -6.442 -11.127 -7.374 1.00 0.00 C ATOM 510 O ARG A 36 -6.294 -10.026 -7.866 1.00 0.00 O ATOM 511 CB ARG A 36 -8.755 -10.828 -6.459 1.00 0.00 C ATOM 512 CG ARG A 36 -10.027 -11.576 -6.058 1.00 0.00 C ATOM 513 CD ARG A 36 -10.858 -11.882 -7.305 1.00 0.00 C ATOM 514 NE ARG A 36 -11.935 -12.797 -6.833 1.00 0.00 N ATOM 515 CZ ARG A 36 -11.979 -14.029 -7.263 1.00 0.00 C ATOM 516 NH1 ARG A 36 -12.356 -14.279 -8.487 1.00 0.00 N ATOM 517 NH2 ARG A 36 -11.647 -15.010 -6.469 1.00 0.00 N ATOM 0 H ARG A 36 -8.015 -12.879 -5.435 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.195 -11.960 -8.249 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.245 -10.457 -5.570 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.010 -9.960 -7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.769 -12.502 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.609 -10.975 -5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.274 -10.971 -7.736 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.251 -12.352 -8.079 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.638 -12.461 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.616 -13.512 -9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.391 -15.241 -8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.353 -14.814 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.682 -15.972 -6.805 1.00 0.00 H new ATOM 531 N GLY A 37 -5.429 -11.806 -6.914 1.00 0.00 N ATOM 532 CA GLY A 37 -4.056 -11.242 -6.985 1.00 0.00 C ATOM 533 C GLY A 37 -3.625 -10.871 -5.569 1.00 0.00 C ATOM 534 O GLY A 37 -4.189 -11.343 -4.602 1.00 0.00 O ATOM 0 H GLY A 37 -5.495 -12.731 -6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.367 -11.969 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.037 -10.364 -7.631 1.00 0.00 H new ATOM 538 N LYS A 38 -2.653 -10.019 -5.424 1.00 0.00 N ATOM 539 CA LYS A 38 -2.232 -9.622 -4.059 1.00 0.00 C ATOM 540 C LYS A 38 -2.998 -8.368 -3.666 1.00 0.00 C ATOM 541 O LYS A 38 -4.122 -8.158 -4.076 1.00 0.00 O ATOM 542 CB LYS A 38 -0.729 -9.325 -4.151 1.00 0.00 C ATOM 543 CG LYS A 38 -0.056 -10.275 -5.149 1.00 0.00 C ATOM 544 CD LYS A 38 -0.555 -11.705 -4.924 1.00 0.00 C ATOM 545 CE LYS A 38 0.638 -12.626 -4.655 1.00 0.00 C ATOM 546 NZ LYS A 38 0.464 -13.766 -5.597 1.00 0.00 N ATOM 0 H LYS A 38 -2.135 -9.583 -6.187 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.429 -10.394 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.574 -8.292 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.270 -9.434 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.276 -9.960 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.027 -10.235 -5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.246 -11.732 -4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.105 -12.051 -5.799 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.582 -12.110 -4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.648 -12.967 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.245 -14.442 -5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.440 -14.242 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.465 -13.412 -6.575 1.00 0.00 H new ATOM 560 N VAL A 39 -2.384 -7.516 -2.912 1.00 0.00 N ATOM 561 CA VAL A 39 -3.053 -6.250 -2.531 1.00 0.00 C ATOM 562 C VAL A 39 -2.332 -5.119 -3.253 1.00 0.00 C ATOM 563 O VAL A 39 -1.820 -5.290 -4.340 1.00 0.00 O ATOM 564 CB VAL A 39 -2.868 -6.114 -1.011 1.00 0.00 C ATOM 565 CG1 VAL A 39 -3.980 -5.239 -0.431 1.00 0.00 C ATOM 566 CG2 VAL A 39 -2.922 -7.491 -0.347 1.00 0.00 C ATOM 0 H VAL A 39 -1.443 -7.640 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.111 -6.226 -2.792 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.898 -5.656 -0.818 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.845 -5.145 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.941 -4.251 -0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.948 -5.696 -0.637 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.790 -7.381 0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.888 -7.955 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.127 -8.120 -0.748 1.00 0.00 H new ATOM 576 N VAL A 40 -2.246 -3.990 -2.637 1.00 0.00 N ATOM 577 CA VAL A 40 -1.512 -2.853 -3.239 1.00 0.00 C ATOM 578 C VAL A 40 -1.213 -1.885 -2.123 1.00 0.00 C ATOM 579 O VAL A 40 -1.993 -1.007 -1.810 1.00 0.00 O ATOM 580 CB VAL A 40 -2.421 -2.215 -4.276 1.00 0.00 C ATOM 581 CG1 VAL A 40 -1.800 -0.888 -4.684 1.00 0.00 C ATOM 582 CG2 VAL A 40 -2.510 -3.120 -5.504 1.00 0.00 C ATOM 0 H VAL A 40 -2.659 -3.798 -1.724 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.583 -3.158 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.420 -2.068 -3.866 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.431 -0.405 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.713 -0.243 -3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.810 -1.064 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.162 -2.662 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.515 -3.256 -5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.916 -4.089 -5.213 1.00 0.00 H new ATOM 592 N GLU A 41 -0.113 -2.076 -1.482 1.00 0.00 N ATOM 593 CA GLU A 41 0.214 -1.209 -0.337 1.00 0.00 C ATOM 594 C GLU A 41 1.447 -0.362 -0.616 1.00 0.00 C ATOM 595 O GLU A 41 2.567 -0.824 -0.547 1.00 0.00 O ATOM 596 CB GLU A 41 0.455 -2.192 0.806 1.00 0.00 C ATOM 597 CG GLU A 41 -0.689 -3.206 0.860 1.00 0.00 C ATOM 598 CD GLU A 41 -1.342 -3.165 2.243 1.00 0.00 C ATOM 599 OE1 GLU A 41 -0.689 -2.719 3.172 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.484 -3.581 2.350 1.00 0.00 O ATOM 0 H GLU A 41 0.577 -2.795 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.577 -0.493 -0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.405 -2.707 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.524 -1.655 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.427 -2.979 0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.312 -4.208 0.654 1.00 0.00 H new ATOM 607 N LEU A 42 1.240 0.886 -0.918 1.00 0.00 N ATOM 608 CA LEU A 42 2.387 1.789 -1.190 1.00 0.00 C ATOM 609 C LEU A 42 2.691 2.598 0.066 1.00 0.00 C ATOM 610 O LEU A 42 2.141 2.355 1.122 1.00 0.00 O ATOM 611 CB LEU A 42 1.930 2.729 -2.314 1.00 0.00 C ATOM 612 CG LEU A 42 0.944 2.021 -3.247 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.473 2.519 -2.963 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.313 2.340 -4.693 1.00 0.00 C ATOM 0 H LEU A 42 0.320 1.321 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 42 3.284 1.238 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.460 3.614 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.795 3.071 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 42 0.988 0.944 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.176 2.015 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.734 2.303 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.521 3.595 -3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.616 1.840 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.261 3.417 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.326 1.991 -4.895 1.00 0.00 H new ATOM 626 N GLY A 43 3.548 3.567 -0.039 1.00 0.00 N ATOM 627 CA GLY A 43 3.866 4.401 1.164 1.00 0.00 C ATOM 628 C GLY A 43 5.174 5.166 0.959 1.00 0.00 C ATOM 629 O GLY A 43 5.474 5.612 -0.125 1.00 0.00 O ATOM 0 H GLY A 43 4.043 3.823 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.054 5.103 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.946 3.763 2.044 1.00 0.00 H new ATOM 633 N CYS A 44 5.948 5.346 1.992 1.00 0.00 N ATOM 634 CA CYS A 44 7.218 6.100 1.833 1.00 0.00 C ATOM 635 C CYS A 44 8.418 5.154 1.917 1.00 0.00 C ATOM 636 O CYS A 44 8.308 4.026 2.349 1.00 0.00 O ATOM 637 CB CYS A 44 7.233 7.086 2.995 1.00 0.00 C ATOM 638 SG CYS A 44 5.641 7.937 3.099 1.00 0.00 S ATOM 0 H CYS A 44 5.756 5.005 2.934 1.00 0.00 H new ATOM 0 HA CYS A 44 7.282 6.600 0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.436 6.560 3.928 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.035 7.811 2.858 1.00 0.00 H new ATOM 643 N ALA A 45 9.564 5.607 1.506 1.00 0.00 N ATOM 644 CA ALA A 45 10.766 4.741 1.553 1.00 0.00 C ATOM 645 C ALA A 45 12.022 5.570 1.285 1.00 0.00 C ATOM 646 O ALA A 45 12.050 6.411 0.404 1.00 0.00 O ATOM 647 CB ALA A 45 10.557 3.703 0.450 1.00 0.00 C ATOM 0 H ALA A 45 9.720 6.545 1.138 1.00 0.00 H new ATOM 0 HA ALA A 45 10.898 4.271 2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.409 3.024 0.423 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.648 3.137 0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.465 4.208 -0.512 1.00 0.00 H new ATOM 653 N ALA A 46 13.059 5.348 2.047 1.00 0.00 N ATOM 654 CA ALA A 46 14.313 6.126 1.846 1.00 0.00 C ATOM 655 C ALA A 46 14.911 5.806 0.476 1.00 0.00 C ATOM 656 O ALA A 46 15.570 6.624 -0.135 1.00 0.00 O ATOM 657 CB ALA A 46 15.250 5.664 2.962 1.00 0.00 C ATOM 0 H ALA A 46 13.091 4.661 2.800 1.00 0.00 H new ATOM 0 HA ALA A 46 14.144 7.202 1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 46 16.200 6.193 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.796 5.877 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.424 4.592 2.871 1.00 0.00 H new ATOM 663 N THR A 47 14.683 4.618 -0.011 1.00 0.00 N ATOM 664 CA THR A 47 15.232 4.236 -1.341 1.00 0.00 C ATOM 665 C THR A 47 14.513 2.990 -1.864 1.00 0.00 C ATOM 666 O THR A 47 13.964 2.214 -1.106 1.00 0.00 O ATOM 667 CB THR A 47 16.711 3.941 -1.092 1.00 0.00 C ATOM 668 OG1 THR A 47 17.303 3.453 -2.288 1.00 0.00 O ATOM 669 CG2 THR A 47 16.846 2.892 0.013 1.00 0.00 C ATOM 0 H THR A 47 14.138 3.893 0.457 1.00 0.00 H new ATOM 0 HA THR A 47 15.097 5.019 -2.087 1.00 0.00 H new ATOM 0 HB THR A 47 17.217 4.856 -0.783 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.252 3.265 -2.130 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.901 2.683 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 47 16.393 3.269 0.930 1.00 0.00 H new ATOM 0 HG23 THR A 47 16.340 1.976 -0.292 1.00 0.00 H new ATOM 677 N CYS A 48 14.509 2.794 -3.152 1.00 0.00 N ATOM 678 CA CYS A 48 13.823 1.601 -3.723 1.00 0.00 C ATOM 679 C CYS A 48 14.237 0.333 -2.972 1.00 0.00 C ATOM 680 O CYS A 48 15.337 -0.155 -3.136 1.00 0.00 O ATOM 681 CB CYS A 48 14.289 1.538 -5.177 1.00 0.00 C ATOM 682 SG CYS A 48 12.883 1.852 -6.271 1.00 0.00 S ATOM 0 H CYS A 48 14.951 3.409 -3.835 1.00 0.00 H new ATOM 0 HA CYS A 48 12.738 1.673 -3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 48 15.072 2.276 -5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 48 14.719 0.560 -5.391 1.00 0.00 H new ATOM 687 N PRO A 49 13.331 -0.161 -2.172 1.00 0.00 N ATOM 688 CA PRO A 49 13.597 -1.391 -1.390 1.00 0.00 C ATOM 689 C PRO A 49 13.559 -2.618 -2.306 1.00 0.00 C ATOM 690 O PRO A 49 12.557 -2.910 -2.930 1.00 0.00 O ATOM 691 CB PRO A 49 12.457 -1.425 -0.376 1.00 0.00 C ATOM 692 CG PRO A 49 11.351 -0.634 -1.001 1.00 0.00 C ATOM 693 CD PRO A 49 11.988 0.374 -1.925 1.00 0.00 C ATOM 0 HA PRO A 49 14.578 -1.398 -0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.142 -2.448 -0.172 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.763 -0.990 0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.675 -1.288 -1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.757 -0.133 -0.236 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.424 0.477 -2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.031 1.362 -1.467 1.00 0.00 H new ATOM 701 N SER A 50 14.646 -3.334 -2.397 1.00 0.00 N ATOM 702 CA SER A 50 14.680 -4.536 -3.280 1.00 0.00 C ATOM 703 C SER A 50 13.833 -5.665 -2.687 1.00 0.00 C ATOM 704 O SER A 50 13.387 -5.596 -1.559 1.00 0.00 O ATOM 705 CB SER A 50 16.152 -4.944 -3.332 1.00 0.00 C ATOM 706 OG SER A 50 16.245 -6.363 -3.354 1.00 0.00 O ATOM 0 H SER A 50 15.514 -3.139 -1.898 1.00 0.00 H new ATOM 0 HA SER A 50 14.275 -4.328 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.627 -4.523 -4.218 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.682 -4.547 -2.467 1.00 0.00 H new ATOM 0 HG SER A 50 17.188 -6.629 -3.389 1.00 0.00 H new ATOM 712 N LYS A 51 13.612 -6.706 -3.444 1.00 0.00 N ATOM 713 CA LYS A 51 12.798 -7.846 -2.934 1.00 0.00 C ATOM 714 C LYS A 51 13.609 -9.142 -3.000 1.00 0.00 C ATOM 715 O LYS A 51 14.808 -9.126 -3.198 1.00 0.00 O ATOM 716 CB LYS A 51 11.590 -7.920 -3.869 1.00 0.00 C ATOM 717 CG LYS A 51 12.060 -7.807 -5.321 1.00 0.00 C ATOM 718 CD LYS A 51 11.261 -8.778 -6.193 1.00 0.00 C ATOM 719 CE LYS A 51 12.098 -9.177 -7.411 1.00 0.00 C ATOM 720 NZ LYS A 51 11.947 -8.045 -8.368 1.00 0.00 N ATOM 0 H LYS A 51 13.961 -6.816 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 51 12.500 -7.710 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.058 -8.860 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.889 -7.117 -3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.927 -6.786 -5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 51 13.124 -8.032 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.992 -9.664 -5.617 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.330 -8.312 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.143 -9.328 -7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.743 -10.112 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.493 -8.244 -9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.943 -7.929 -8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.299 -7.170 -7.929 1.00 0.00 H new ATOM 734 N LYS A 52 12.964 -10.262 -2.840 1.00 0.00 N ATOM 735 CA LYS A 52 13.699 -11.559 -2.897 1.00 0.00 C ATOM 736 C LYS A 52 12.739 -12.707 -3.237 1.00 0.00 C ATOM 737 O LYS A 52 12.861 -13.320 -4.279 1.00 0.00 O ATOM 738 CB LYS A 52 14.298 -11.743 -1.502 1.00 0.00 C ATOM 739 CG LYS A 52 15.813 -11.533 -1.565 1.00 0.00 C ATOM 740 CD LYS A 52 16.202 -10.348 -0.679 1.00 0.00 C ATOM 741 CE LYS A 52 17.239 -10.799 0.352 1.00 0.00 C ATOM 742 NZ LYS A 52 16.443 -11.370 1.474 1.00 0.00 N ATOM 0 H LYS A 52 11.961 -10.338 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 52 14.469 -11.560 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.850 -11.033 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.074 -12.742 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.330 -12.434 -1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.123 -11.349 -2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.608 -9.542 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.320 -9.953 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.917 -11.541 -0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.851 -9.962 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.085 -11.702 2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.812 -10.639 1.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.875 -12.169 1.126 1.00 0.00 H new ATOM 756 N PRO A 53 11.811 -12.964 -2.350 1.00 0.00 N ATOM 757 CA PRO A 53 10.830 -14.054 -2.581 1.00 0.00 C ATOM 758 C PRO A 53 9.825 -13.657 -3.667 1.00 0.00 C ATOM 759 O PRO A 53 9.986 -13.983 -4.826 1.00 0.00 O ATOM 760 CB PRO A 53 10.142 -14.212 -1.227 1.00 0.00 C ATOM 761 CG PRO A 53 10.309 -12.891 -0.546 1.00 0.00 C ATOM 762 CD PRO A 53 11.585 -12.282 -1.067 1.00 0.00 C ATOM 0 HA PRO A 53 11.293 -14.978 -2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.088 -14.462 -1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.596 -15.015 -0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.459 -12.241 -0.753 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.357 -13.018 0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.487 -11.205 -1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.414 -12.444 -0.378 1.00 0.00 H new ATOM 770 N TYR A 54 8.784 -12.967 -3.297 1.00 0.00 N ATOM 771 CA TYR A 54 7.756 -12.556 -4.300 1.00 0.00 C ATOM 772 C TYR A 54 7.278 -11.131 -4.011 1.00 0.00 C ATOM 773 O TYR A 54 6.170 -10.758 -4.343 1.00 0.00 O ATOM 774 CB TYR A 54 6.596 -13.555 -4.142 1.00 0.00 C ATOM 775 CG TYR A 54 6.583 -14.122 -2.739 1.00 0.00 C ATOM 776 CD1 TYR A 54 6.475 -13.263 -1.639 1.00 0.00 C ATOM 777 CD2 TYR A 54 6.696 -15.503 -2.540 1.00 0.00 C ATOM 778 CE1 TYR A 54 6.477 -13.785 -0.341 1.00 0.00 C ATOM 779 CE2 TYR A 54 6.700 -16.025 -1.242 1.00 0.00 C ATOM 780 CZ TYR A 54 6.590 -15.165 -0.142 1.00 0.00 C ATOM 781 OH TYR A 54 6.593 -15.679 1.139 1.00 0.00 O ATOM 0 H TYR A 54 8.597 -12.667 -2.340 1.00 0.00 H new ATOM 0 HA TYR A 54 8.154 -12.563 -5.315 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.648 -13.059 -4.351 1.00 0.00 H new ATOM 0 HB3 TYR A 54 6.700 -14.362 -4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.390 -12.197 -1.792 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.780 -16.166 -3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.391 -13.122 0.508 1.00 0.00 H new ATOM 0 HE2 TYR A 54 6.788 -17.090 -1.088 1.00 0.00 H new ATOM 0 HH TYR A 54 6.678 -16.655 1.100 1.00 0.00 H new ATOM 791 N GLU A 55 8.104 -10.332 -3.393 1.00 0.00 N ATOM 792 CA GLU A 55 7.694 -8.932 -3.082 1.00 0.00 C ATOM 793 C GLU A 55 7.838 -8.048 -4.325 1.00 0.00 C ATOM 794 O GLU A 55 8.922 -7.856 -4.839 1.00 0.00 O ATOM 795 CB GLU A 55 8.656 -8.473 -1.985 1.00 0.00 C ATOM 796 CG GLU A 55 7.921 -8.436 -0.643 1.00 0.00 C ATOM 797 CD GLU A 55 7.718 -9.863 -0.132 1.00 0.00 C ATOM 798 OE1 GLU A 55 8.675 -10.435 0.365 1.00 0.00 O ATOM 799 OE2 GLU A 55 6.610 -10.360 -0.246 1.00 0.00 O ATOM 0 H GLU A 55 9.044 -10.587 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 55 6.653 -8.868 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.508 -9.151 -1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.051 -7.485 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.494 -7.857 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.958 -7.939 -0.758 1.00 0.00 H new ATOM 806 N GLU A 56 6.753 -7.508 -4.810 1.00 0.00 N ATOM 807 CA GLU A 56 6.830 -6.637 -6.018 1.00 0.00 C ATOM 808 C GLU A 56 6.809 -5.162 -5.606 1.00 0.00 C ATOM 809 O GLU A 56 5.996 -4.388 -6.071 1.00 0.00 O ATOM 810 CB GLU A 56 5.587 -6.983 -6.838 1.00 0.00 C ATOM 811 CG GLU A 56 6.005 -7.391 -8.251 1.00 0.00 C ATOM 812 CD GLU A 56 5.444 -6.388 -9.260 1.00 0.00 C ATOM 813 OE1 GLU A 56 5.278 -5.236 -8.891 1.00 0.00 O ATOM 814 OE2 GLU A 56 5.189 -6.787 -10.384 1.00 0.00 O ATOM 0 H GLU A 56 5.818 -7.632 -4.423 1.00 0.00 H new ATOM 0 HA GLU A 56 7.747 -6.796 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.038 -7.795 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.915 -6.125 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.092 -7.427 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.638 -8.392 -8.475 1.00 0.00 H new ATOM 821 N VAL A 57 7.696 -4.772 -4.733 1.00 0.00 N ATOM 822 CA VAL A 57 7.731 -3.351 -4.284 1.00 0.00 C ATOM 823 C VAL A 57 8.314 -2.459 -5.387 1.00 0.00 C ATOM 824 O VAL A 57 9.093 -2.900 -6.209 1.00 0.00 O ATOM 825 CB VAL A 57 8.630 -3.366 -3.053 1.00 0.00 C ATOM 826 CG1 VAL A 57 8.147 -4.442 -2.079 1.00 0.00 C ATOM 827 CG2 VAL A 57 10.050 -3.694 -3.482 1.00 0.00 C ATOM 0 H VAL A 57 8.400 -5.377 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 57 6.741 -2.952 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 57 8.599 -2.391 -2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.791 -4.452 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.122 -4.226 -1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.183 -5.416 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.700 -3.707 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.068 -4.672 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.402 -2.938 -4.185 1.00 0.00 H new ATOM 837 N THR A 58 7.936 -1.209 -5.413 1.00 0.00 N ATOM 838 CA THR A 58 8.456 -0.285 -6.459 1.00 0.00 C ATOM 839 C THR A 58 8.669 1.105 -5.863 1.00 0.00 C ATOM 840 O THR A 58 8.479 1.319 -4.682 1.00 0.00 O ATOM 841 CB THR A 58 7.369 -0.249 -7.535 1.00 0.00 C ATOM 842 OG1 THR A 58 6.572 -1.421 -7.439 1.00 0.00 O ATOM 843 CG2 THR A 58 8.019 -0.182 -8.917 1.00 0.00 C ATOM 0 H THR A 58 7.286 -0.787 -4.750 1.00 0.00 H new ATOM 0 HA THR A 58 9.414 -0.611 -6.864 1.00 0.00 H new ATOM 0 HB THR A 58 6.741 0.630 -7.390 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.874 -1.399 -8.127 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.244 -0.156 -9.683 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.630 0.718 -8.989 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.648 -1.060 -9.066 1.00 0.00 H new ATOM 851 N CYS A 59 9.049 2.057 -6.669 1.00 0.00 N ATOM 852 CA CYS A 59 9.262 3.431 -6.135 1.00 0.00 C ATOM 853 C CYS A 59 8.268 4.410 -6.728 1.00 0.00 C ATOM 854 O CYS A 59 7.434 4.068 -7.542 1.00 0.00 O ATOM 855 CB CYS A 59 10.646 3.847 -6.603 1.00 0.00 C ATOM 856 SG CYS A 59 11.888 3.367 -5.380 1.00 0.00 S ATOM 0 H CYS A 59 9.220 1.944 -7.668 1.00 0.00 H new ATOM 0 HA CYS A 59 9.147 3.434 -5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.870 3.380 -7.562 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.676 4.925 -6.759 1.00 0.00 H new ATOM 861 N CYS A 60 8.391 5.645 -6.346 1.00 0.00 N ATOM 862 CA CYS A 60 7.499 6.683 -6.906 1.00 0.00 C ATOM 863 C CYS A 60 7.955 8.078 -6.469 1.00 0.00 C ATOM 864 O CYS A 60 7.672 8.517 -5.374 1.00 0.00 O ATOM 865 CB CYS A 60 6.110 6.364 -6.363 1.00 0.00 C ATOM 866 SG CYS A 60 5.033 5.885 -7.734 1.00 0.00 S ATOM 0 H CYS A 60 9.075 5.979 -5.667 1.00 0.00 H new ATOM 0 HA CYS A 60 7.509 6.683 -7.996 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.168 5.558 -5.632 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.699 7.232 -5.848 1.00 0.00 H new ATOM 871 N SER A 61 8.658 8.780 -7.315 1.00 0.00 N ATOM 872 CA SER A 61 9.127 10.145 -6.937 1.00 0.00 C ATOM 873 C SER A 61 8.212 11.213 -7.546 1.00 0.00 C ATOM 874 O SER A 61 8.669 12.168 -8.143 1.00 0.00 O ATOM 875 CB SER A 61 10.538 10.253 -7.514 1.00 0.00 C ATOM 876 OG SER A 61 10.542 9.746 -8.842 1.00 0.00 O ATOM 0 H SER A 61 8.928 8.470 -8.249 1.00 0.00 H new ATOM 0 HA SER A 61 9.115 10.300 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.867 11.292 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.240 9.693 -6.896 1.00 0.00 H new ATOM 0 HG SER A 61 11.445 9.815 -9.216 1.00 0.00 H new ATOM 882 N THR A 62 6.924 11.062 -7.396 1.00 0.00 N ATOM 883 CA THR A 62 5.982 12.072 -7.961 1.00 0.00 C ATOM 884 C THR A 62 4.822 12.311 -6.990 1.00 0.00 C ATOM 885 O THR A 62 4.462 11.447 -6.216 1.00 0.00 O ATOM 886 CB THR A 62 5.474 11.455 -9.265 1.00 0.00 C ATOM 887 OG1 THR A 62 6.420 10.506 -9.738 1.00 0.00 O ATOM 888 CG2 THR A 62 5.283 12.553 -10.312 1.00 0.00 C ATOM 0 H THR A 62 6.483 10.283 -6.907 1.00 0.00 H new ATOM 0 HA THR A 62 6.461 13.037 -8.128 1.00 0.00 H new ATOM 0 HB THR A 62 4.520 10.959 -9.085 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.103 9.601 -9.537 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.921 12.111 -11.240 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.557 13.280 -9.949 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.235 13.051 -10.494 1.00 0.00 H new ATOM 896 N ASP A 63 4.236 13.476 -7.023 1.00 0.00 N ATOM 897 CA ASP A 63 3.100 13.767 -6.099 1.00 0.00 C ATOM 898 C ASP A 63 2.021 12.689 -6.234 1.00 0.00 C ATOM 899 O ASP A 63 1.640 12.313 -7.324 1.00 0.00 O ATOM 900 CB ASP A 63 2.562 15.126 -6.547 1.00 0.00 C ATOM 901 CG ASP A 63 2.681 16.127 -5.396 1.00 0.00 C ATOM 902 OD1 ASP A 63 3.401 15.836 -4.456 1.00 0.00 O ATOM 903 OD2 ASP A 63 2.049 17.168 -5.475 1.00 0.00 O ATOM 0 H ASP A 63 4.493 14.239 -7.649 1.00 0.00 H new ATOM 0 HA ASP A 63 3.409 13.777 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.121 15.483 -7.412 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.521 15.033 -6.856 1.00 0.00 H new ATOM 908 N LYS A 64 1.528 12.188 -5.133 1.00 0.00 N ATOM 909 CA LYS A 64 0.475 11.132 -5.200 1.00 0.00 C ATOM 910 C LYS A 64 0.828 10.108 -6.280 1.00 0.00 C ATOM 911 O LYS A 64 0.041 9.820 -7.160 1.00 0.00 O ATOM 912 CB LYS A 64 -0.811 11.875 -5.564 1.00 0.00 C ATOM 913 CG LYS A 64 -1.796 11.795 -4.395 1.00 0.00 C ATOM 914 CD LYS A 64 -2.940 12.786 -4.622 1.00 0.00 C ATOM 915 CE LYS A 64 -4.150 12.369 -3.783 1.00 0.00 C ATOM 916 NZ LYS A 64 -5.133 13.475 -3.951 1.00 0.00 N ATOM 0 H LYS A 64 1.808 12.463 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 64 0.376 10.586 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.589 12.917 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.255 11.438 -6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.190 10.783 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.285 12.021 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.623 13.792 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.208 12.813 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.561 11.420 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.878 12.238 -2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.992 13.262 -3.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.717 14.365 -3.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.378 13.572 -4.957 1.00 0.00 H new ATOM 930 N CYS A 65 2.010 9.559 -6.221 1.00 0.00 N ATOM 931 CA CYS A 65 2.422 8.555 -7.243 1.00 0.00 C ATOM 932 C CYS A 65 2.049 7.144 -6.784 1.00 0.00 C ATOM 933 O CYS A 65 2.363 6.169 -7.432 1.00 0.00 O ATOM 934 CB CYS A 65 3.942 8.697 -7.341 1.00 0.00 C ATOM 935 SG CYS A 65 4.575 7.625 -8.658 1.00 0.00 S ATOM 0 H CYS A 65 2.710 9.763 -5.508 1.00 0.00 H new ATOM 0 HA CYS A 65 1.929 8.717 -8.202 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.207 9.734 -7.545 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.403 8.431 -6.390 1.00 0.00 H new ATOM 940 N ASN A 66 1.384 7.020 -5.667 1.00 0.00 N ATOM 941 CA ASN A 66 1.020 5.660 -5.181 1.00 0.00 C ATOM 942 C ASN A 66 -0.457 5.267 -5.455 1.00 0.00 C ATOM 943 O ASN A 66 -0.959 4.373 -4.803 1.00 0.00 O ATOM 944 CB ASN A 66 1.269 5.721 -3.675 1.00 0.00 C ATOM 945 CG ASN A 66 2.736 5.410 -3.377 1.00 0.00 C ATOM 946 OD1 ASN A 66 3.074 5.035 -2.274 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.630 5.555 -4.316 1.00 0.00 N ATOM 0 H ASN A 66 1.080 7.794 -5.076 1.00 0.00 H new ATOM 0 HA ASN A 66 1.607 4.904 -5.703 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.014 6.710 -3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.625 5.007 -3.162 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.611 5.353 -4.122 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.348 5.870 -5.244 1.00 0.00 H new ATOM 954 N PRO A 67 -1.125 5.912 -6.391 1.00 0.00 N ATOM 955 CA PRO A 67 -2.534 5.548 -6.674 1.00 0.00 C ATOM 956 C PRO A 67 -2.592 4.346 -7.624 1.00 0.00 C ATOM 957 O PRO A 67 -2.829 4.495 -8.806 1.00 0.00 O ATOM 958 CB PRO A 67 -3.094 6.787 -7.358 1.00 0.00 C ATOM 959 CG PRO A 67 -1.913 7.471 -7.976 1.00 0.00 C ATOM 960 CD PRO A 67 -0.671 7.009 -7.251 1.00 0.00 C ATOM 0 HA PRO A 67 -3.089 5.267 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.832 6.518 -8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.594 7.439 -6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.846 7.230 -9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.017 8.553 -7.900 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.093 6.672 -7.951 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.232 7.816 -6.664 1.00 0.00 H new ATOM 968 N HIS A 68 -2.362 3.160 -7.126 1.00 0.00 N ATOM 969 CA HIS A 68 -2.391 1.966 -8.019 1.00 0.00 C ATOM 970 C HIS A 68 -3.560 2.045 -9.008 1.00 0.00 C ATOM 971 O HIS A 68 -4.502 2.786 -8.809 1.00 0.00 O ATOM 972 CB HIS A 68 -2.499 0.748 -7.093 1.00 0.00 C ATOM 973 CG HIS A 68 -3.682 0.852 -6.158 1.00 0.00 C ATOM 974 ND1 HIS A 68 -4.540 -0.219 -5.938 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.139 1.861 -5.346 1.00 0.00 C ATOM 976 CE1 HIS A 68 -5.455 0.170 -5.035 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.258 1.429 -4.641 1.00 0.00 N ATOM 0 H HIS A 68 -2.157 2.967 -6.146 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.493 1.902 -8.634 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.590 -0.157 -7.693 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.583 0.653 -6.510 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.696 2.843 -5.267 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.253 -0.460 -4.672 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.809 1.961 -3.968 1.00 0.00 H new ATOM 985 N PRO A 69 -3.425 1.292 -10.070 1.00 0.00 N ATOM 986 CA PRO A 69 -4.445 1.281 -11.153 1.00 0.00 C ATOM 987 C PRO A 69 -5.701 0.480 -10.774 1.00 0.00 C ATOM 988 O PRO A 69 -6.516 0.167 -11.618 1.00 0.00 O ATOM 989 CB PRO A 69 -3.715 0.622 -12.320 1.00 0.00 C ATOM 990 CG PRO A 69 -2.640 -0.216 -11.699 1.00 0.00 C ATOM 991 CD PRO A 69 -2.309 0.385 -10.353 1.00 0.00 C ATOM 0 HA PRO A 69 -4.812 2.283 -11.375 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.395 0.011 -12.913 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.291 1.370 -12.990 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -2.976 -1.247 -11.585 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -1.756 -0.238 -12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.219 -0.385 -9.586 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.360 0.920 -10.380 1.00 0.00 H new ATOM 999 N LYS A 70 -5.885 0.173 -9.521 1.00 0.00 N ATOM 1000 CA LYS A 70 -7.112 -0.575 -9.113 1.00 0.00 C ATOM 1001 C LYS A 70 -8.169 0.427 -8.685 1.00 0.00 C ATOM 1002 O LYS A 70 -9.221 0.077 -8.190 1.00 0.00 O ATOM 1003 CB LYS A 70 -6.696 -1.424 -7.919 1.00 0.00 C ATOM 1004 CG LYS A 70 -6.953 -2.896 -8.221 1.00 0.00 C ATOM 1005 CD LYS A 70 -5.905 -3.417 -9.204 1.00 0.00 C ATOM 1006 CE LYS A 70 -4.506 -3.029 -8.715 1.00 0.00 C ATOM 1007 NZ LYS A 70 -4.171 -1.767 -9.437 1.00 0.00 N ATOM 0 H LYS A 70 -5.244 0.405 -8.763 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.517 -1.188 -9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.640 -1.267 -7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.255 -1.122 -7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.919 -3.476 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.951 -3.021 -8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.983 -4.501 -9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.083 -3.001 -10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.495 -2.879 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.781 -3.812 -8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.237 -1.860 -9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.888 -1.584 -10.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.154 -0.975 -8.763 1.00 0.00 H new ATOM 1021 N GLN A 71 -7.866 1.675 -8.856 1.00 0.00 N ATOM 1022 CA GLN A 71 -8.781 2.749 -8.461 1.00 0.00 C ATOM 1023 C GLN A 71 -9.876 2.946 -9.514 1.00 0.00 C ATOM 1024 O GLN A 71 -9.917 3.946 -10.202 1.00 0.00 O ATOM 1025 CB GLN A 71 -7.832 3.933 -8.402 1.00 0.00 C ATOM 1026 CG GLN A 71 -8.628 5.223 -8.288 1.00 0.00 C ATOM 1027 CD GLN A 71 -7.828 6.256 -7.492 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -7.460 7.289 -8.015 1.00 0.00 O ATOM 1029 NE2 GLN A 71 -7.541 6.019 -6.241 1.00 0.00 N ATOM 0 H GLN A 71 -6.990 1.997 -9.268 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.322 2.572 -7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.161 3.832 -7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.209 3.957 -9.296 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.854 5.611 -9.281 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.582 5.031 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.850 5.152 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.008 6.701 -5.702 1.00 0.00 H new ATOM 1104 N ARG B 2 -10.320 -3.230 1.582 1.00 0.00 N ATOM 1105 CA ARG B 2 -8.904 -3.245 1.115 1.00 0.00 C ATOM 1106 C ARG B 2 -8.743 -2.527 -0.217 1.00 0.00 C ATOM 1107 O ARG B 2 -9.625 -2.524 -1.053 1.00 0.00 O ATOM 1108 CB ARG B 2 -8.552 -4.724 0.917 1.00 0.00 C ATOM 1109 CG ARG B 2 -7.740 -5.221 2.114 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.977 -6.720 2.306 1.00 0.00 C ATOM 1111 NE ARG B 2 -9.457 -6.872 2.370 1.00 0.00 N ATOM 1112 CZ ARG B 2 -10.020 -7.965 1.931 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -10.029 -8.226 0.653 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -10.574 -8.796 2.771 1.00 0.00 N ATOM 0 HA ARG B 2 -8.262 -2.741 1.837 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.462 -5.314 0.812 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -7.980 -4.853 -0.002 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -6.679 -5.028 1.953 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.030 -4.678 3.014 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -7.557 -7.295 1.481 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.504 -7.081 3.219 1.00 0.00 H new ATOM 0 HE ARG B 2 -10.031 -6.122 2.757 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -9.596 -7.576 -0.003 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -10.469 -9.080 0.310 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -10.567 -8.591 3.770 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -11.014 -9.650 2.428 1.00 0.00 H new ATOM 1128 N TYR B 3 -7.582 -1.995 -0.445 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.299 -1.357 -1.754 1.00 0.00 C ATOM 1130 C TYR B 3 -6.566 -2.430 -2.526 1.00 0.00 C ATOM 1131 O TYR B 3 -5.465 -2.252 -3.006 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.381 -0.149 -1.502 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.419 0.251 -0.045 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -7.374 1.168 0.414 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -5.496 -0.306 0.846 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -7.401 1.528 1.767 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -5.524 0.054 2.199 1.00 0.00 C ATOM 1138 CZ TYR B 3 -6.476 0.972 2.659 1.00 0.00 C ATOM 1139 OH TYR B 3 -6.503 1.328 3.992 1.00 0.00 O ATOM 0 H TYR B 3 -6.811 -1.974 0.223 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.183 -1.005 -2.285 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.359 -0.395 -1.791 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.695 0.690 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -8.088 1.596 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -4.762 -1.014 0.491 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -8.136 2.235 2.123 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -4.812 -0.376 2.887 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.795 0.850 4.473 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.177 -3.576 -2.580 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.548 -4.735 -3.241 1.00 0.00 C ATOM 1151 C TYR B 4 -6.382 -4.505 -4.725 1.00 0.00 C ATOM 1152 O TYR B 4 -6.581 -3.427 -5.245 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.536 -5.882 -3.031 1.00 0.00 C ATOM 1154 CG TYR B 4 -6.879 -7.048 -2.332 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.298 -6.893 -1.067 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -6.867 -8.298 -2.960 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -5.705 -7.994 -0.434 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.274 -9.395 -2.331 1.00 0.00 C ATOM 1159 CZ TYR B 4 -5.693 -9.244 -1.067 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.108 -10.327 -0.443 1.00 0.00 O ATOM 0 H TYR B 4 -8.100 -3.756 -2.186 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.556 -4.928 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.384 -5.532 -2.442 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -7.930 -6.207 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.307 -5.929 -0.581 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.318 -8.415 -3.934 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.257 -7.879 0.542 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -6.264 -10.358 -2.819 1.00 0.00 H new ATOM 0 HH TYR B 4 -4.382 -10.674 -1.002 1.00 0.00 H new ATOM 1170 N GLU B 5 -6.008 -5.541 -5.388 1.00 0.00 N ATOM 1171 CA GLU B 5 -5.796 -5.468 -6.862 1.00 0.00 C ATOM 1172 C GLU B 5 -7.107 -5.747 -7.610 1.00 0.00 C ATOM 1173 O GLU B 5 -7.133 -6.474 -8.582 1.00 0.00 O ATOM 1174 CB GLU B 5 -4.761 -6.553 -7.161 1.00 0.00 C ATOM 1175 CG GLU B 5 -4.485 -6.602 -8.665 1.00 0.00 C ATOM 1176 CD GLU B 5 -3.117 -7.239 -8.913 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -2.766 -8.148 -8.178 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -2.443 -6.808 -9.834 1.00 0.00 O ATOM 0 H GLU B 5 -5.834 -6.457 -4.975 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.461 -4.482 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -3.838 -6.348 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -5.125 -7.521 -6.817 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.262 -7.176 -9.169 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -4.510 -5.596 -9.083 1.00 0.00 H new ATOM 1185 N SER B 6 -8.197 -5.171 -7.168 1.00 0.00 N ATOM 1186 CA SER B 6 -9.494 -5.410 -7.867 1.00 0.00 C ATOM 1187 C SER B 6 -10.476 -4.247 -7.643 1.00 0.00 C ATOM 1188 O SER B 6 -11.642 -4.353 -7.967 1.00 0.00 O ATOM 1189 CB SER B 6 -10.041 -6.693 -7.244 1.00 0.00 C ATOM 1190 OG SER B 6 -9.735 -6.708 -5.855 1.00 0.00 O ATOM 0 H SER B 6 -8.244 -4.551 -6.360 1.00 0.00 H new ATOM 0 HA SER B 6 -9.359 -5.490 -8.946 1.00 0.00 H new ATOM 0 HB2 SER B 6 -11.119 -6.751 -7.391 1.00 0.00 H new ATOM 0 HB3 SER B 6 -9.605 -7.564 -7.734 1.00 0.00 H new ATOM 0 HG SER B 6 -10.086 -7.529 -5.452 1.00 0.00 H new ATOM 1196 N SER B 7 -10.022 -3.139 -7.099 1.00 0.00 N ATOM 1197 CA SER B 7 -10.942 -1.977 -6.864 1.00 0.00 C ATOM 1198 C SER B 7 -10.311 -0.989 -5.875 1.00 0.00 C ATOM 1199 O SER B 7 -9.151 -1.096 -5.531 1.00 0.00 O ATOM 1200 CB SER B 7 -12.221 -2.568 -6.263 1.00 0.00 C ATOM 1201 OG SER B 7 -11.908 -3.768 -5.569 1.00 0.00 O ATOM 0 H SER B 7 -9.056 -2.990 -6.808 1.00 0.00 H new ATOM 0 HA SER B 7 -11.141 -1.435 -7.789 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.681 -1.851 -5.583 1.00 0.00 H new ATOM 0 HB3 SER B 7 -12.946 -2.770 -7.051 1.00 0.00 H new ATOM 0 HG SER B 7 -12.219 -4.538 -6.090 1.00 0.00 H new ATOM 1207 N LEU B 8 -11.071 -0.029 -5.416 1.00 0.00 N ATOM 1208 CA LEU B 8 -10.522 0.967 -4.448 1.00 0.00 C ATOM 1209 C LEU B 8 -11.561 1.295 -3.374 1.00 0.00 C ATOM 1210 O LEU B 8 -11.487 2.315 -2.718 1.00 0.00 O ATOM 1211 CB LEU B 8 -10.226 2.211 -5.284 1.00 0.00 C ATOM 1212 CG LEU B 8 -8.732 2.531 -5.216 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -8.352 2.910 -3.785 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -7.934 1.300 -5.644 1.00 0.00 C ATOM 0 H LEU B 8 -12.049 0.109 -5.670 1.00 0.00 H new ATOM 0 HA LEU B 8 -9.636 0.591 -3.936 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -10.526 2.046 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -10.807 3.056 -4.915 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.508 3.365 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -7.287 3.137 -3.739 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -8.924 3.785 -3.476 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -8.574 2.078 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -6.868 1.523 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.161 0.469 -4.976 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.203 1.029 -6.665 1.00 0.00 H new