USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 758 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 79 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 LYS NZ :NH3+ -122:sc= -0.0117 (180deg=-0.134) USER MOD Set 1.3: A 88 THR OG1 : rot 180:sc=0.000285 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc=-0.00276 K(o=-0.0028,f=-1.3) USER MOD Single : A 30 CYS SG : rot -140:sc= -3.33! USER MOD Single : A 33 SER OG : rot -103:sc= 0.214 USER MOD Single : A 37 THR OG1 : rot 49:sc= -0.166 USER MOD Single : A 40 HIS : no HE2:sc= -0.0146 X(o=-0.015,f=-0.41) USER MOD Single : A 43 LYS NZ :NH3+ -120:sc= 0 (180deg=-1.69!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.26) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= -0.145 (180deg=-0.832) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -60:sc= 0.766 USER MOD Single : A 62 MET CE :methyl 171:sc= 0 (180deg=-0.0428) USER MOD Single : A 64 MET CE :methyl 166:sc= -0.0576 (180deg=-0.446) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 60:sc= -3.35! USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -100:sc= -1.6 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0676 X(o=-0.068,f=-0.0073) USER MOD Single : A 96 LYS NZ :NH3+ -171:sc= -0.0162 (180deg=-0.165) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.005 27.385 -11.759 1.00 0.00 N ATOM 2 CA GLY A 1 16.818 27.606 -10.954 1.00 0.00 C ATOM 3 C GLY A 1 16.641 26.550 -9.881 1.00 0.00 C ATOM 4 O GLY A 1 16.643 25.354 -10.172 1.00 0.00 O ATOM 0 H1 GLY A 1 18.081 28.133 -12.478 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.847 27.404 -11.149 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.939 26.459 -12.228 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.878 28.589 -10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.940 27.614 -11.600 1.00 0.00 H new ATOM 8 N SER A 2 16.489 26.992 -8.637 1.00 0.00 N ATOM 9 CA SER A 2 16.315 26.076 -7.516 1.00 0.00 C ATOM 10 C SER A 2 14.978 26.316 -6.821 1.00 0.00 C ATOM 11 O SER A 2 14.815 27.287 -6.083 1.00 0.00 O ATOM 12 CB SER A 2 17.460 26.240 -6.514 1.00 0.00 C ATOM 13 OG SER A 2 17.664 25.049 -5.774 1.00 0.00 O ATOM 0 H SER A 2 16.483 27.979 -8.380 1.00 0.00 H new ATOM 0 HA SER A 2 16.325 25.058 -7.905 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.376 26.504 -7.043 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.237 27.061 -5.833 1.00 0.00 H new ATOM 0 HG SER A 2 18.402 25.179 -5.142 1.00 0.00 H new ATOM 19 N SER A 3 14.024 25.422 -7.063 1.00 0.00 N ATOM 20 CA SER A 3 12.699 25.537 -6.464 1.00 0.00 C ATOM 21 C SER A 3 12.749 25.226 -4.971 1.00 0.00 C ATOM 22 O SER A 3 13.766 24.765 -4.455 1.00 0.00 O ATOM 23 CB SER A 3 11.718 24.592 -7.161 1.00 0.00 C ATOM 24 OG SER A 3 11.432 25.034 -8.477 1.00 0.00 O ATOM 0 H SER A 3 14.144 24.611 -7.669 1.00 0.00 H new ATOM 0 HA SER A 3 12.357 26.564 -6.592 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.138 23.587 -7.195 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.794 24.532 -6.585 1.00 0.00 H new ATOM 0 HG SER A 3 10.804 24.413 -8.902 1.00 0.00 H new ATOM 30 N GLY A 4 11.641 25.483 -4.282 1.00 0.00 N ATOM 31 CA GLY A 4 11.579 25.226 -2.855 1.00 0.00 C ATOM 32 C GLY A 4 10.717 26.234 -2.122 1.00 0.00 C ATOM 33 O GLY A 4 9.780 25.862 -1.415 1.00 0.00 O ATOM 0 H GLY A 4 10.786 25.864 -4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.184 24.224 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.587 25.245 -2.441 1.00 0.00 H new ATOM 37 N SER A 5 11.035 27.514 -2.287 1.00 0.00 N ATOM 38 CA SER A 5 10.286 28.579 -1.630 1.00 0.00 C ATOM 39 C SER A 5 8.793 28.265 -1.618 1.00 0.00 C ATOM 40 O SER A 5 8.177 28.168 -0.557 1.00 0.00 O ATOM 41 CB SER A 5 10.533 29.914 -2.335 1.00 0.00 C ATOM 42 OG SER A 5 10.316 31.003 -1.455 1.00 0.00 O ATOM 0 H SER A 5 11.806 27.839 -2.870 1.00 0.00 H new ATOM 0 HA SER A 5 10.632 28.651 -0.599 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.555 29.946 -2.713 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.872 30.002 -3.197 1.00 0.00 H new ATOM 0 HG SER A 5 10.482 31.845 -1.929 1.00 0.00 H new ATOM 48 N SER A 6 8.218 28.108 -2.806 1.00 0.00 N ATOM 49 CA SER A 6 6.796 27.810 -2.933 1.00 0.00 C ATOM 50 C SER A 6 6.584 26.443 -3.577 1.00 0.00 C ATOM 51 O SER A 6 5.676 26.260 -4.387 1.00 0.00 O ATOM 52 CB SER A 6 6.099 28.890 -3.762 1.00 0.00 C ATOM 53 OG SER A 6 6.468 28.803 -5.127 1.00 0.00 O ATOM 0 H SER A 6 8.715 28.182 -3.694 1.00 0.00 H new ATOM 0 HA SER A 6 6.362 27.793 -1.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.018 28.785 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.359 29.875 -3.374 1.00 0.00 H new ATOM 0 HG SER A 6 6.008 29.503 -5.636 1.00 0.00 H new ATOM 59 N GLY A 7 7.430 25.485 -3.210 1.00 0.00 N ATOM 60 CA GLY A 7 7.320 24.147 -3.761 1.00 0.00 C ATOM 61 C GLY A 7 6.675 23.173 -2.794 1.00 0.00 C ATOM 62 O GLY A 7 7.329 22.616 -1.912 1.00 0.00 O ATOM 0 H GLY A 7 8.189 25.612 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.735 24.183 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.313 23.785 -4.029 1.00 0.00 H new ATOM 66 N PRO A 8 5.361 22.959 -2.953 1.00 0.00 N ATOM 67 CA PRO A 8 4.598 22.046 -2.096 1.00 0.00 C ATOM 68 C PRO A 8 4.965 20.585 -2.332 1.00 0.00 C ATOM 69 O PRO A 8 5.766 20.272 -3.212 1.00 0.00 O ATOM 70 CB PRO A 8 3.146 22.306 -2.505 1.00 0.00 C ATOM 71 CG PRO A 8 3.231 22.815 -3.902 1.00 0.00 C ATOM 72 CD PRO A 8 4.518 23.589 -3.983 1.00 0.00 C ATOM 0 HA PRO A 8 4.795 22.220 -1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.550 21.395 -2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.674 23.035 -1.846 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.224 21.993 -4.618 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.378 23.451 -4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.970 23.515 -4.972 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.363 24.649 -3.782 1.00 0.00 H new ATOM 80 N ALA A 9 4.374 19.696 -1.541 1.00 0.00 N ATOM 81 CA ALA A 9 4.638 18.268 -1.667 1.00 0.00 C ATOM 82 C ALA A 9 3.402 17.523 -2.161 1.00 0.00 C ATOM 83 O ALA A 9 3.339 16.296 -2.098 1.00 0.00 O ATOM 84 CB ALA A 9 5.102 17.698 -0.335 1.00 0.00 C ATOM 0 H ALA A 9 3.709 19.939 -0.806 1.00 0.00 H new ATOM 0 HA ALA A 9 5.430 18.133 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.296 16.631 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.016 18.203 -0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.327 17.852 0.416 1.00 0.00 H new ATOM 90 N ALA A 10 2.422 18.274 -2.653 1.00 0.00 N ATOM 91 CA ALA A 10 1.188 17.684 -3.159 1.00 0.00 C ATOM 92 C ALA A 10 1.471 16.398 -3.929 1.00 0.00 C ATOM 93 O ALA A 10 2.583 16.184 -4.410 1.00 0.00 O ATOM 94 CB ALA A 10 0.451 18.680 -4.042 1.00 0.00 C ATOM 0 H ALA A 10 2.458 19.292 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 10 0.556 17.434 -2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.468 18.227 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.208 19.570 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.084 18.958 -4.885 1.00 0.00 H new ATOM 100 N ILE A 11 0.457 15.547 -4.041 1.00 0.00 N ATOM 101 CA ILE A 11 0.597 14.283 -4.753 1.00 0.00 C ATOM 102 C ILE A 11 0.123 14.410 -6.197 1.00 0.00 C ATOM 103 O ILE A 11 -1.070 14.570 -6.457 1.00 0.00 O ATOM 104 CB ILE A 11 -0.195 13.157 -4.062 1.00 0.00 C ATOM 105 CG1 ILE A 11 0.290 12.972 -2.623 1.00 0.00 C ATOM 106 CG2 ILE A 11 -0.060 11.858 -4.843 1.00 0.00 C ATOM 107 CD1 ILE A 11 -0.750 12.365 -1.707 1.00 0.00 C ATOM 0 H ILE A 11 -0.470 15.710 -3.648 1.00 0.00 H new ATOM 0 HA ILE A 11 1.657 14.030 -4.742 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.248 13.436 -4.038 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.175 12.336 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.594 13.940 -2.223 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.625 11.072 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.449 11.998 -5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.991 11.572 -4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.336 12.263 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.627 13.011 -1.674 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.037 11.383 -2.082 1.00 0.00 H new ATOM 119 N ILE A 12 1.064 14.336 -7.131 1.00 0.00 N ATOM 120 CA ILE A 12 0.743 14.440 -8.549 1.00 0.00 C ATOM 121 C ILE A 12 0.299 13.094 -9.112 1.00 0.00 C ATOM 122 O ILE A 12 -0.594 13.025 -9.957 1.00 0.00 O ATOM 123 CB ILE A 12 1.945 14.953 -9.363 1.00 0.00 C ATOM 124 CG1 ILE A 12 3.254 14.438 -8.761 1.00 0.00 C ATOM 125 CG2 ILE A 12 1.941 16.474 -9.412 1.00 0.00 C ATOM 126 CD1 ILE A 12 3.818 15.336 -7.683 1.00 0.00 C ATOM 0 H ILE A 12 2.056 14.204 -6.932 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.075 15.155 -8.635 1.00 0.00 H new ATOM 0 HB ILE A 12 1.862 14.575 -10.382 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.087 13.445 -8.344 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.992 14.330 -9.556 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.797 16.822 -9.991 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.020 16.820 -9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.003 16.871 -8.399 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.746 14.909 -7.302 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.017 16.323 -8.099 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.098 15.424 -6.869 1.00 0.00 H new ATOM 138 N LYS A 13 0.928 12.024 -8.637 1.00 0.00 N ATOM 139 CA LYS A 13 0.598 10.678 -9.090 1.00 0.00 C ATOM 140 C LYS A 13 -0.150 9.908 -8.006 1.00 0.00 C ATOM 141 O LYS A 13 0.448 9.277 -7.134 1.00 0.00 O ATOM 142 CB LYS A 13 1.870 9.923 -9.481 1.00 0.00 C ATOM 143 CG LYS A 13 2.719 10.652 -10.508 1.00 0.00 C ATOM 144 CD LYS A 13 3.750 9.730 -11.136 1.00 0.00 C ATOM 145 CE LYS A 13 4.449 10.394 -12.312 1.00 0.00 C ATOM 146 NZ LYS A 13 5.814 9.841 -12.531 1.00 0.00 N ATOM 0 H LYS A 13 1.670 12.063 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.049 10.764 -9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.468 9.748 -8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.595 8.946 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.076 11.064 -11.286 1.00 0.00 H new ATOM 0 HG3 LYS A 13 3.224 11.493 -10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.488 9.444 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.264 8.813 -11.471 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.852 10.256 -13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.516 11.467 -12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.257 10.320 -13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.392 9.995 -11.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.748 8.821 -12.725 1.00 0.00 H new ATOM 160 N PRO A 14 -1.489 9.957 -8.060 1.00 0.00 N ATOM 161 CA PRO A 14 -2.347 9.268 -7.092 1.00 0.00 C ATOM 162 C PRO A 14 -2.299 7.752 -7.251 1.00 0.00 C ATOM 163 O PRO A 14 -1.986 7.240 -8.326 1.00 0.00 O ATOM 164 CB PRO A 14 -3.746 9.796 -7.419 1.00 0.00 C ATOM 165 CG PRO A 14 -3.674 10.200 -8.851 1.00 0.00 C ATOM 166 CD PRO A 14 -2.269 10.690 -9.072 1.00 0.00 C ATOM 0 HA PRO A 14 -2.035 9.456 -6.065 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.505 9.030 -7.262 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.009 10.641 -6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.902 9.359 -9.506 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.400 10.982 -9.073 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.922 10.473 -10.082 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.193 11.769 -8.934 1.00 0.00 H new ATOM 174 N LEU A 15 -2.612 7.039 -6.174 1.00 0.00 N ATOM 175 CA LEU A 15 -2.605 5.581 -6.194 1.00 0.00 C ATOM 176 C LEU A 15 -3.597 5.045 -7.222 1.00 0.00 C ATOM 177 O LEU A 15 -4.338 5.810 -7.839 1.00 0.00 O ATOM 178 CB LEU A 15 -2.943 5.030 -4.808 1.00 0.00 C ATOM 179 CG LEU A 15 -2.193 5.661 -3.634 1.00 0.00 C ATOM 180 CD1 LEU A 15 -3.045 5.626 -2.375 1.00 0.00 C ATOM 181 CD2 LEU A 15 -0.868 4.950 -3.404 1.00 0.00 C ATOM 0 H LEU A 15 -2.874 7.447 -5.277 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.605 5.252 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.013 5.156 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.744 3.958 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.986 6.703 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.495 6.079 -1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.967 6.181 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.284 4.592 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.348 5.412 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.053 3.899 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.253 5.029 -4.300 1.00 0.00 H new ATOM 193 N GLU A 16 -3.604 3.728 -7.400 1.00 0.00 N ATOM 194 CA GLU A 16 -4.506 3.091 -8.352 1.00 0.00 C ATOM 195 C GLU A 16 -4.988 1.742 -7.827 1.00 0.00 C ATOM 196 O GLU A 16 -4.246 1.025 -7.154 1.00 0.00 O ATOM 197 CB GLU A 16 -3.811 2.907 -9.702 1.00 0.00 C ATOM 198 CG GLU A 16 -3.534 4.213 -10.428 1.00 0.00 C ATOM 199 CD GLU A 16 -2.411 4.092 -11.439 1.00 0.00 C ATOM 200 OE1 GLU A 16 -1.336 3.573 -11.072 1.00 0.00 O ATOM 201 OE2 GLU A 16 -2.607 4.516 -12.598 1.00 0.00 O ATOM 0 H GLU A 16 -2.996 3.082 -6.898 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.372 3.740 -8.483 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.869 2.380 -9.547 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.430 2.273 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.441 4.541 -10.936 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.280 4.983 -9.699 1.00 0.00 H new ATOM 208 N ASP A 17 -6.234 1.403 -8.138 1.00 0.00 N ATOM 209 CA ASP A 17 -6.815 0.139 -7.699 1.00 0.00 C ATOM 210 C ASP A 17 -5.883 -1.026 -8.014 1.00 0.00 C ATOM 211 O ASP A 17 -5.500 -1.233 -9.165 1.00 0.00 O ATOM 212 CB ASP A 17 -8.173 -0.082 -8.368 1.00 0.00 C ATOM 213 CG ASP A 17 -9.015 1.178 -8.400 1.00 0.00 C ATOM 214 OD1 ASP A 17 -9.725 1.443 -7.407 1.00 0.00 O ATOM 215 OD2 ASP A 17 -8.963 1.900 -9.417 1.00 0.00 O ATOM 0 H ASP A 17 -6.861 1.986 -8.692 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.954 0.187 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.019 -0.439 -9.386 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.714 -0.864 -7.835 1.00 0.00 H new ATOM 220 N GLN A 18 -5.521 -1.783 -6.983 1.00 0.00 N ATOM 221 CA GLN A 18 -4.632 -2.927 -7.150 1.00 0.00 C ATOM 222 C GLN A 18 -5.421 -4.232 -7.164 1.00 0.00 C ATOM 223 O GLN A 18 -6.450 -4.353 -6.500 1.00 0.00 O ATOM 224 CB GLN A 18 -3.591 -2.958 -6.030 1.00 0.00 C ATOM 225 CG GLN A 18 -2.863 -1.637 -5.839 1.00 0.00 C ATOM 226 CD GLN A 18 -1.909 -1.327 -6.975 1.00 0.00 C ATOM 227 OE1 GLN A 18 -1.591 -2.195 -7.789 1.00 0.00 O ATOM 228 NE2 GLN A 18 -1.446 -0.084 -7.037 1.00 0.00 N ATOM 0 H GLN A 18 -5.829 -1.625 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.122 -2.822 -8.108 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.082 -3.231 -5.096 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.861 -3.738 -6.246 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.594 -0.833 -5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.308 -1.664 -4.901 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.736 0.603 -6.341 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.801 0.183 -7.780 1.00 0.00 H new ATOM 237 N TRP A 19 -4.932 -5.205 -7.924 1.00 0.00 N ATOM 238 CA TRP A 19 -5.592 -6.501 -8.025 1.00 0.00 C ATOM 239 C TRP A 19 -4.606 -7.635 -7.767 1.00 0.00 C ATOM 240 O TRP A 19 -3.853 -8.031 -8.658 1.00 0.00 O ATOM 241 CB TRP A 19 -6.229 -6.667 -9.405 1.00 0.00 C ATOM 242 CG TRP A 19 -7.548 -5.966 -9.538 1.00 0.00 C ATOM 243 CD1 TRP A 19 -8.762 -6.414 -9.101 1.00 0.00 C ATOM 244 CD2 TRP A 19 -7.784 -4.694 -10.152 1.00 0.00 C ATOM 245 NE1 TRP A 19 -9.738 -5.497 -9.406 1.00 0.00 N ATOM 246 CE2 TRP A 19 -9.165 -4.433 -10.050 1.00 0.00 C ATOM 247 CE3 TRP A 19 -6.964 -3.750 -10.775 1.00 0.00 C ATOM 248 CZ2 TRP A 19 -9.740 -3.268 -10.550 1.00 0.00 C ATOM 249 CZ3 TRP A 19 -7.537 -2.594 -11.271 1.00 0.00 C ATOM 250 CH2 TRP A 19 -8.914 -2.361 -11.155 1.00 0.00 C ATOM 0 H TRP A 19 -4.081 -5.121 -8.479 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.373 -6.543 -7.266 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -5.544 -6.284 -10.162 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.368 -7.729 -9.608 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -8.930 -7.351 -8.591 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -10.730 -5.593 -9.188 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.902 -3.920 -10.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -10.801 -3.087 -10.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.913 -1.858 -11.756 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -9.331 -1.447 -11.551 1.00 0.00 H new ATOM 261 N VAL A 20 -4.615 -8.156 -6.544 1.00 0.00 N ATOM 262 CA VAL A 20 -3.722 -9.246 -6.170 1.00 0.00 C ATOM 263 C VAL A 20 -4.505 -10.436 -5.627 1.00 0.00 C ATOM 264 O VAL A 20 -5.735 -10.415 -5.583 1.00 0.00 O ATOM 265 CB VAL A 20 -2.697 -8.794 -5.113 1.00 0.00 C ATOM 266 CG1 VAL A 20 -1.905 -7.597 -5.614 1.00 0.00 C ATOM 267 CG2 VAL A 20 -3.394 -8.471 -3.800 1.00 0.00 C ATOM 0 H VAL A 20 -5.231 -7.840 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.192 -9.546 -7.074 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.999 -9.612 -4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.186 -7.292 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.375 -7.868 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.586 -6.771 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.655 -8.153 -3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.116 -7.670 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.911 -9.358 -3.435 1.00 0.00 H new ATOM 277 N ALA A 21 -3.784 -11.473 -5.215 1.00 0.00 N ATOM 278 CA ALA A 21 -4.411 -12.672 -4.672 1.00 0.00 C ATOM 279 C ALA A 21 -4.220 -12.755 -3.161 1.00 0.00 C ATOM 280 O ALA A 21 -3.369 -12.081 -2.581 1.00 0.00 O ATOM 281 CB ALA A 21 -3.846 -13.914 -5.346 1.00 0.00 C ATOM 0 H ALA A 21 -2.765 -11.507 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.481 -12.616 -4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.323 -14.802 -4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.039 -13.866 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.771 -13.965 -5.173 1.00 0.00 H new ATOM 287 N PRO A 22 -5.031 -13.601 -2.508 1.00 0.00 N ATOM 288 CA PRO A 22 -4.970 -13.792 -1.055 1.00 0.00 C ATOM 289 C PRO A 22 -3.701 -14.516 -0.618 1.00 0.00 C ATOM 290 O PRO A 22 -3.668 -15.743 -0.549 1.00 0.00 O ATOM 291 CB PRO A 22 -6.203 -14.649 -0.759 1.00 0.00 C ATOM 292 CG PRO A 22 -6.478 -15.371 -2.032 1.00 0.00 C ATOM 293 CD PRO A 22 -6.068 -14.436 -3.136 1.00 0.00 C ATOM 0 HA PRO A 22 -4.954 -12.843 -0.519 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.014 -15.345 0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.052 -14.032 -0.462 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.915 -16.303 -2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.533 -15.631 -2.113 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.680 -14.978 -3.998 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.908 -13.837 -3.488 1.00 0.00 H new ATOM 301 N GLY A 23 -2.658 -13.746 -0.324 1.00 0.00 N ATOM 302 CA GLY A 23 -1.401 -14.332 0.104 1.00 0.00 C ATOM 303 C GLY A 23 -0.199 -13.627 -0.495 1.00 0.00 C ATOM 304 O GLY A 23 0.932 -13.840 -0.061 1.00 0.00 O ATOM 0 H GLY A 23 -2.661 -12.727 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.337 -14.293 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.379 -15.384 -0.179 1.00 0.00 H new ATOM 308 N GLU A 24 -0.446 -12.786 -1.495 1.00 0.00 N ATOM 309 CA GLU A 24 0.626 -12.051 -2.155 1.00 0.00 C ATOM 310 C GLU A 24 0.864 -10.707 -1.472 1.00 0.00 C ATOM 311 O GLU A 24 0.109 -10.306 -0.586 1.00 0.00 O ATOM 312 CB GLU A 24 0.291 -11.832 -3.632 1.00 0.00 C ATOM 313 CG GLU A 24 -0.330 -13.047 -4.301 1.00 0.00 C ATOM 314 CD GLU A 24 -0.018 -13.119 -5.783 1.00 0.00 C ATOM 315 OE1 GLU A 24 1.070 -12.656 -6.185 1.00 0.00 O ATOM 316 OE2 GLU A 24 -0.863 -13.639 -6.542 1.00 0.00 O ATOM 0 H GLU A 24 -1.378 -12.597 -1.865 1.00 0.00 H new ATOM 0 HA GLU A 24 1.537 -12.644 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.395 -10.989 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.201 -11.559 -4.166 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.033 -13.951 -3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.411 -13.021 -4.162 1.00 0.00 H new ATOM 323 N ASP A 25 1.919 -10.016 -1.890 1.00 0.00 N ATOM 324 CA ASP A 25 2.258 -8.718 -1.320 1.00 0.00 C ATOM 325 C ASP A 25 1.823 -7.587 -2.247 1.00 0.00 C ATOM 326 O ASP A 25 1.850 -7.728 -3.470 1.00 0.00 O ATOM 327 CB ASP A 25 3.762 -8.629 -1.057 1.00 0.00 C ATOM 328 CG ASP A 25 4.585 -9.113 -2.234 1.00 0.00 C ATOM 329 OD1 ASP A 25 4.420 -10.285 -2.631 1.00 0.00 O ATOM 330 OD2 ASP A 25 5.395 -8.319 -2.759 1.00 0.00 O ATOM 0 H ASP A 25 2.554 -10.334 -2.622 1.00 0.00 H new ATOM 0 HA ASP A 25 1.725 -8.614 -0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.028 -7.596 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.010 -9.221 -0.176 1.00 0.00 H new ATOM 335 N VAL A 26 1.421 -6.466 -1.657 1.00 0.00 N ATOM 336 CA VAL A 26 0.980 -5.311 -2.429 1.00 0.00 C ATOM 337 C VAL A 26 1.887 -4.109 -2.188 1.00 0.00 C ATOM 338 O VAL A 26 2.336 -3.875 -1.067 1.00 0.00 O ATOM 339 CB VAL A 26 -0.470 -4.924 -2.083 1.00 0.00 C ATOM 340 CG1 VAL A 26 -0.838 -3.597 -2.729 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.431 -6.021 -2.515 1.00 0.00 C ATOM 0 H VAL A 26 1.392 -6.333 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 26 1.031 -5.596 -3.480 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.548 -4.808 -1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.866 -3.340 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.168 -2.817 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.744 -3.681 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.451 -5.731 -2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.352 -6.171 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.180 -6.948 -2.000 1.00 0.00 H new ATOM 351 N GLU A 27 2.151 -3.351 -3.247 1.00 0.00 N ATOM 352 CA GLU A 27 3.005 -2.173 -3.150 1.00 0.00 C ATOM 353 C GLU A 27 2.310 -0.948 -3.736 1.00 0.00 C ATOM 354 O GLU A 27 2.227 -0.791 -4.955 1.00 0.00 O ATOM 355 CB GLU A 27 4.331 -2.416 -3.873 1.00 0.00 C ATOM 356 CG GLU A 27 5.147 -3.554 -3.282 1.00 0.00 C ATOM 357 CD GLU A 27 6.387 -3.866 -4.096 1.00 0.00 C ATOM 358 OE1 GLU A 27 7.070 -2.914 -4.528 1.00 0.00 O ATOM 359 OE2 GLU A 27 6.676 -5.064 -4.301 1.00 0.00 O ATOM 0 H GLU A 27 1.786 -3.531 -4.182 1.00 0.00 H new ATOM 0 HA GLU A 27 3.204 -1.986 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.129 -2.632 -4.922 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.924 -1.502 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.440 -3.296 -2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.525 -4.447 -3.217 1.00 0.00 H new ATOM 366 N LEU A 28 1.812 -0.082 -2.860 1.00 0.00 N ATOM 367 CA LEU A 28 1.124 1.130 -3.290 1.00 0.00 C ATOM 368 C LEU A 28 2.092 2.307 -3.370 1.00 0.00 C ATOM 369 O LEU A 28 2.309 3.013 -2.386 1.00 0.00 O ATOM 370 CB LEU A 28 -0.018 1.460 -2.327 1.00 0.00 C ATOM 371 CG LEU A 28 -1.046 0.351 -2.100 1.00 0.00 C ATOM 372 CD1 LEU A 28 -1.674 0.479 -0.721 1.00 0.00 C ATOM 373 CD2 LEU A 28 -2.117 0.388 -3.181 1.00 0.00 C ATOM 0 H LEU A 28 1.872 -0.197 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 28 0.714 0.952 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.413 1.731 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.540 2.340 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.534 -0.610 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.403 -0.319 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.898 0.403 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.172 1.445 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.840 -0.408 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.625 1.352 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.654 0.247 -4.157 1.00 0.00 H new ATOM 385 N ARG A 29 2.668 2.512 -4.550 1.00 0.00 N ATOM 386 CA ARG A 29 3.612 3.603 -4.760 1.00 0.00 C ATOM 387 C ARG A 29 2.896 4.851 -5.268 1.00 0.00 C ATOM 388 O ARG A 29 1.833 4.761 -5.885 1.00 0.00 O ATOM 389 CB ARG A 29 4.696 3.184 -5.754 1.00 0.00 C ATOM 390 CG ARG A 29 5.604 2.080 -5.237 1.00 0.00 C ATOM 391 CD ARG A 29 6.617 1.653 -6.287 1.00 0.00 C ATOM 392 NE ARG A 29 5.979 1.024 -7.440 1.00 0.00 N ATOM 393 CZ ARG A 29 6.608 0.774 -8.583 1.00 0.00 C ATOM 394 NH1 ARG A 29 7.886 1.099 -8.725 1.00 0.00 N ATOM 395 NH2 ARG A 29 5.959 0.199 -9.587 1.00 0.00 N ATOM 0 H ARG A 29 2.497 1.937 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 29 4.078 3.836 -3.802 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.221 2.850 -6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.303 4.054 -6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.127 2.426 -4.345 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.002 1.221 -4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.185 2.523 -6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.329 0.957 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 29 4.996 0.762 -7.364 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.388 1.542 -7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.367 0.906 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.976 -0.052 -9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.443 0.008 -10.464 1.00 0.00 H new ATOM 409 N CYS A 30 3.484 6.012 -5.005 1.00 0.00 N ATOM 410 CA CYS A 30 2.902 7.279 -5.434 1.00 0.00 C ATOM 411 C CYS A 30 3.990 8.305 -5.729 1.00 0.00 C ATOM 412 O CYS A 30 5.180 7.995 -5.674 1.00 0.00 O ATOM 413 CB CYS A 30 1.953 7.818 -4.362 1.00 0.00 C ATOM 414 SG CYS A 30 2.766 8.814 -3.091 1.00 0.00 S ATOM 0 H CYS A 30 4.364 6.103 -4.497 1.00 0.00 H new ATOM 0 HA CYS A 30 2.339 7.100 -6.350 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.183 8.421 -4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.448 6.979 -3.883 1.00 0.00 H new ATOM 0 HG CYS A 30 2.253 8.538 -1.929 1.00 0.00 H new ATOM 420 N GLU A 31 3.574 9.528 -6.045 1.00 0.00 N ATOM 421 CA GLU A 31 4.515 10.599 -6.351 1.00 0.00 C ATOM 422 C GLU A 31 4.198 11.851 -5.538 1.00 0.00 C ATOM 423 O GLU A 31 3.057 12.066 -5.127 1.00 0.00 O ATOM 424 CB GLU A 31 4.479 10.926 -7.846 1.00 0.00 C ATOM 425 CG GLU A 31 5.679 11.729 -8.322 1.00 0.00 C ATOM 426 CD GLU A 31 6.895 10.861 -8.581 1.00 0.00 C ATOM 427 OE1 GLU A 31 7.005 9.788 -7.952 1.00 0.00 O ATOM 428 OE2 GLU A 31 7.737 11.255 -9.416 1.00 0.00 O ATOM 0 H GLU A 31 2.593 9.801 -6.096 1.00 0.00 H new ATOM 0 HA GLU A 31 5.515 10.257 -6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.427 9.996 -8.412 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.569 11.484 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.416 12.262 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.927 12.482 -7.574 1.00 0.00 H new ATOM 435 N LEU A 32 5.216 12.673 -5.308 1.00 0.00 N ATOM 436 CA LEU A 32 5.048 13.903 -4.543 1.00 0.00 C ATOM 437 C LEU A 32 5.877 15.035 -5.143 1.00 0.00 C ATOM 438 O LEU A 32 7.029 14.836 -5.531 1.00 0.00 O ATOM 439 CB LEU A 32 5.450 13.679 -3.084 1.00 0.00 C ATOM 440 CG LEU A 32 5.141 12.297 -2.508 1.00 0.00 C ATOM 441 CD1 LEU A 32 5.996 12.028 -1.279 1.00 0.00 C ATOM 442 CD2 LEU A 32 3.663 12.178 -2.169 1.00 0.00 C ATOM 0 H LEU A 32 6.166 12.510 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 32 3.996 14.186 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.521 13.858 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.948 14.427 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 32 5.380 11.548 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.762 11.040 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.050 12.069 -1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.789 12.782 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.462 11.188 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.397 12.936 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.070 12.325 -3.071 1.00 0.00 H new ATOM 454 N SER A 33 5.285 16.223 -5.213 1.00 0.00 N ATOM 455 CA SER A 33 5.969 17.386 -5.766 1.00 0.00 C ATOM 456 C SER A 33 7.266 17.663 -5.013 1.00 0.00 C ATOM 457 O SER A 33 8.148 18.363 -5.510 1.00 0.00 O ATOM 458 CB SER A 33 5.059 18.614 -5.707 1.00 0.00 C ATOM 459 OG SER A 33 5.746 19.779 -6.132 1.00 0.00 O ATOM 0 H SER A 33 4.334 16.405 -4.894 1.00 0.00 H new ATOM 0 HA SER A 33 6.213 17.173 -6.807 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.185 18.453 -6.338 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.696 18.753 -4.689 1.00 0.00 H new ATOM 0 HG SER A 33 5.994 20.316 -5.351 1.00 0.00 H new ATOM 465 N ARG A 34 7.375 17.108 -3.810 1.00 0.00 N ATOM 466 CA ARG A 34 8.563 17.296 -2.987 1.00 0.00 C ATOM 467 C ARG A 34 8.945 15.998 -2.280 1.00 0.00 C ATOM 468 O ARG A 34 8.097 15.143 -2.029 1.00 0.00 O ATOM 469 CB ARG A 34 8.325 18.400 -1.955 1.00 0.00 C ATOM 470 CG ARG A 34 9.445 18.532 -0.935 1.00 0.00 C ATOM 471 CD ARG A 34 9.563 19.958 -0.420 1.00 0.00 C ATOM 472 NE ARG A 34 10.834 20.190 0.262 1.00 0.00 N ATOM 473 CZ ARG A 34 11.249 21.389 0.654 1.00 0.00 C ATOM 474 NH1 ARG A 34 10.498 22.459 0.433 1.00 0.00 N ATOM 475 NH2 ARG A 34 12.418 21.519 1.269 1.00 0.00 N ATOM 0 H ARG A 34 6.655 16.525 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 34 9.385 17.590 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.204 19.351 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.390 18.201 -1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 34 9.260 17.856 -0.100 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.389 18.228 -1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.467 20.654 -1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.741 20.165 0.265 1.00 0.00 H new ATOM 0 HE ARG A 34 11.435 19.387 0.447 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.599 22.362 -0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.819 23.379 0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.998 20.698 1.441 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.736 22.440 1.570 1.00 0.00 H new ATOM 489 N ALA A 35 10.228 15.859 -1.963 1.00 0.00 N ATOM 490 CA ALA A 35 10.723 14.668 -1.285 1.00 0.00 C ATOM 491 C ALA A 35 10.779 14.878 0.224 1.00 0.00 C ATOM 492 O ALA A 35 10.486 15.965 0.720 1.00 0.00 O ATOM 493 CB ALA A 35 12.097 14.289 -1.818 1.00 0.00 C ATOM 0 H ALA A 35 10.944 16.557 -2.165 1.00 0.00 H new ATOM 0 HA ALA A 35 10.029 13.852 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.454 13.398 -1.302 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.030 14.087 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.793 15.110 -1.647 1.00 0.00 H new ATOM 499 N GLY A 36 11.155 13.830 0.950 1.00 0.00 N ATOM 500 CA GLY A 36 11.241 13.921 2.396 1.00 0.00 C ATOM 501 C GLY A 36 9.990 14.512 3.015 1.00 0.00 C ATOM 502 O GLY A 36 10.055 15.178 4.049 1.00 0.00 O ATOM 0 H GLY A 36 11.402 12.919 0.563 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.413 12.927 2.810 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.101 14.533 2.668 1.00 0.00 H new ATOM 506 N THR A 37 8.847 14.272 2.381 1.00 0.00 N ATOM 507 CA THR A 37 7.576 14.788 2.874 1.00 0.00 C ATOM 508 C THR A 37 6.803 13.714 3.631 1.00 0.00 C ATOM 509 O THR A 37 6.754 12.551 3.230 1.00 0.00 O ATOM 510 CB THR A 37 6.701 15.318 1.722 1.00 0.00 C ATOM 511 OG1 THR A 37 7.366 16.399 1.059 1.00 0.00 O ATOM 512 CG2 THR A 37 5.351 15.790 2.242 1.00 0.00 C ATOM 0 H THR A 37 8.775 13.723 1.524 1.00 0.00 H new ATOM 0 HA THR A 37 7.809 15.609 3.552 1.00 0.00 H new ATOM 0 HB THR A 37 6.537 14.504 1.015 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.286 16.136 0.847 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.750 16.160 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.835 14.958 2.721 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.500 16.590 2.967 1.00 0.00 H new ATOM 520 N PRO A 38 6.185 14.110 4.753 1.00 0.00 N ATOM 521 CA PRO A 38 5.402 13.196 5.590 1.00 0.00 C ATOM 522 C PRO A 38 4.107 12.757 4.915 1.00 0.00 C ATOM 523 O PRO A 38 3.481 13.529 4.188 1.00 0.00 O ATOM 524 CB PRO A 38 5.098 14.029 6.838 1.00 0.00 C ATOM 525 CG PRO A 38 5.157 15.443 6.372 1.00 0.00 C ATOM 526 CD PRO A 38 6.202 15.480 5.292 1.00 0.00 C ATOM 0 HA PRO A 38 5.941 12.272 5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.117 13.787 7.246 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.827 13.841 7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.189 15.769 5.990 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.418 16.113 7.191 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.961 16.216 4.525 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.182 15.743 5.690 1.00 0.00 H new ATOM 534 N VAL A 39 3.710 11.512 5.159 1.00 0.00 N ATOM 535 CA VAL A 39 2.488 10.971 4.575 1.00 0.00 C ATOM 536 C VAL A 39 1.596 10.350 5.644 1.00 0.00 C ATOM 537 O VAL A 39 2.053 10.036 6.744 1.00 0.00 O ATOM 538 CB VAL A 39 2.801 9.909 3.503 1.00 0.00 C ATOM 539 CG1 VAL A 39 3.102 8.567 4.153 1.00 0.00 C ATOM 540 CG2 VAL A 39 1.645 9.789 2.521 1.00 0.00 C ATOM 0 H VAL A 39 4.217 10.859 5.757 1.00 0.00 H new ATOM 0 HA VAL A 39 1.964 11.805 4.108 1.00 0.00 H new ATOM 0 HB VAL A 39 3.686 10.224 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.321 7.830 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.964 8.668 4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.238 8.241 4.732 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.882 9.035 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.742 9.497 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.482 10.749 2.032 1.00 0.00 H new ATOM 550 N HIS A 40 0.320 10.175 5.315 1.00 0.00 N ATOM 551 CA HIS A 40 -0.637 9.590 6.247 1.00 0.00 C ATOM 552 C HIS A 40 -1.462 8.502 5.567 1.00 0.00 C ATOM 553 O HIS A 40 -2.287 8.787 4.699 1.00 0.00 O ATOM 554 CB HIS A 40 -1.561 10.672 6.808 1.00 0.00 C ATOM 555 CG HIS A 40 -2.076 10.366 8.180 1.00 0.00 C ATOM 556 ND1 HIS A 40 -2.505 11.340 9.057 1.00 0.00 N ATOM 557 CD2 HIS A 40 -2.234 9.186 8.825 1.00 0.00 C ATOM 558 CE1 HIS A 40 -2.901 10.773 10.183 1.00 0.00 C ATOM 559 NE2 HIS A 40 -2.747 9.466 10.067 1.00 0.00 N ATOM 0 H HIS A 40 -0.075 10.430 4.410 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.079 9.138 7.067 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.024 11.620 6.834 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.406 10.803 6.132 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -2.515 12.342 8.866 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.000 8.207 8.435 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.285 11.290 11.050 1.00 0.00 H new ATOM 568 N TRP A 41 -1.234 7.256 5.966 1.00 0.00 N ATOM 569 CA TRP A 41 -1.956 6.126 5.394 1.00 0.00 C ATOM 570 C TRP A 41 -3.207 5.811 6.208 1.00 0.00 C ATOM 571 O TRP A 41 -3.120 5.307 7.328 1.00 0.00 O ATOM 572 CB TRP A 41 -1.050 4.895 5.331 1.00 0.00 C ATOM 573 CG TRP A 41 0.120 5.065 4.410 1.00 0.00 C ATOM 574 CD1 TRP A 41 1.403 5.373 4.764 1.00 0.00 C ATOM 575 CD2 TRP A 41 0.114 4.938 2.984 1.00 0.00 C ATOM 576 NE1 TRP A 41 2.194 5.445 3.643 1.00 0.00 N ATOM 577 CE2 TRP A 41 1.428 5.182 2.539 1.00 0.00 C ATOM 578 CE3 TRP A 41 -0.873 4.641 2.041 1.00 0.00 C ATOM 579 CZ2 TRP A 41 1.777 5.138 1.192 1.00 0.00 C ATOM 580 CZ3 TRP A 41 -0.525 4.598 0.704 1.00 0.00 C ATOM 581 CH2 TRP A 41 0.791 4.845 0.290 1.00 0.00 C ATOM 0 H TRP A 41 -0.555 7.003 6.684 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.261 6.396 4.383 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.685 4.670 6.333 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -1.638 4.037 5.006 1.00 0.00 H new ATOM 0 HD1 TRP A 41 1.745 5.536 5.775 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.191 5.660 3.635 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.889 4.448 2.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.790 5.328 0.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.280 4.370 -0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.032 4.803 -0.762 1.00 0.00 H new ATOM 592 N LEU A 42 -4.368 6.110 5.638 1.00 0.00 N ATOM 593 CA LEU A 42 -5.638 5.859 6.311 1.00 0.00 C ATOM 594 C LEU A 42 -6.357 4.666 5.688 1.00 0.00 C ATOM 595 O LEU A 42 -6.574 4.621 4.477 1.00 0.00 O ATOM 596 CB LEU A 42 -6.530 7.100 6.240 1.00 0.00 C ATOM 597 CG LEU A 42 -5.911 8.401 6.751 1.00 0.00 C ATOM 598 CD1 LEU A 42 -6.487 9.595 6.007 1.00 0.00 C ATOM 599 CD2 LEU A 42 -6.134 8.546 8.250 1.00 0.00 C ATOM 0 H LEU A 42 -4.457 6.527 4.711 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.428 5.629 7.356 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.832 7.247 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.437 6.904 6.811 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.837 8.367 6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.034 10.512 6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.275 9.497 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.566 9.633 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.687 9.478 8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.204 8.557 8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.672 7.707 8.770 1.00 0.00 H new ATOM 611 N LYS A 43 -6.726 3.702 6.525 1.00 0.00 N ATOM 612 CA LYS A 43 -7.425 2.510 6.059 1.00 0.00 C ATOM 613 C LYS A 43 -8.874 2.508 6.534 1.00 0.00 C ATOM 614 O LYS A 43 -9.155 2.227 7.699 1.00 0.00 O ATOM 615 CB LYS A 43 -6.712 1.250 6.556 1.00 0.00 C ATOM 616 CG LYS A 43 -7.441 -0.037 6.210 1.00 0.00 C ATOM 617 CD LYS A 43 -7.091 -0.517 4.812 1.00 0.00 C ATOM 618 CE LYS A 43 -7.179 -2.032 4.704 1.00 0.00 C ATOM 619 NZ LYS A 43 -8.589 -2.510 4.739 1.00 0.00 N ATOM 0 H LYS A 43 -6.553 3.723 7.530 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.419 2.518 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.710 1.217 6.128 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.595 1.312 7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.184 -0.808 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.517 0.122 6.282 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.767 -0.060 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.083 -0.191 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.708 -2.358 3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.621 -2.487 5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.720 -3.147 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.229 -1.696 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.804 -3.022 3.859 1.00 0.00 H new ATOM 633 N ASP A 44 -9.790 2.821 5.624 1.00 0.00 N ATOM 634 CA ASP A 44 -11.211 2.853 5.949 1.00 0.00 C ATOM 635 C ASP A 44 -11.486 3.825 7.092 1.00 0.00 C ATOM 636 O ASP A 44 -12.216 3.506 8.030 1.00 0.00 O ATOM 637 CB ASP A 44 -11.702 1.453 6.324 1.00 0.00 C ATOM 638 CG ASP A 44 -13.161 1.238 5.974 1.00 0.00 C ATOM 639 OD1 ASP A 44 -14.025 1.880 6.607 1.00 0.00 O ATOM 640 OD2 ASP A 44 -13.439 0.428 5.065 1.00 0.00 O ATOM 0 H ASP A 44 -9.574 3.056 4.655 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.752 3.196 5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.095 0.708 5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.561 1.296 7.393 1.00 0.00 H new ATOM 645 N ARG A 45 -10.894 5.012 7.007 1.00 0.00 N ATOM 646 CA ARG A 45 -11.073 6.030 8.035 1.00 0.00 C ATOM 647 C ARG A 45 -10.392 5.615 9.336 1.00 0.00 C ATOM 648 O ARG A 45 -10.955 5.765 10.420 1.00 0.00 O ATOM 649 CB ARG A 45 -12.562 6.278 8.284 1.00 0.00 C ATOM 650 CG ARG A 45 -13.362 6.508 7.012 1.00 0.00 C ATOM 651 CD ARG A 45 -13.232 7.942 6.523 1.00 0.00 C ATOM 652 NE ARG A 45 -13.851 8.891 7.444 1.00 0.00 N ATOM 653 CZ ARG A 45 -13.191 9.504 8.421 1.00 0.00 C ATOM 654 NH1 ARG A 45 -11.899 9.268 8.603 1.00 0.00 N ATOM 655 NH2 ARG A 45 -13.824 10.355 9.218 1.00 0.00 N ATOM 0 H ARG A 45 -10.287 5.292 6.237 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.612 6.952 7.681 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.980 5.424 8.817 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -12.673 7.145 8.935 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.017 5.825 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -14.412 6.279 7.195 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.177 8.190 6.401 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -13.696 8.034 5.541 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.844 9.095 7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.409 8.614 7.992 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.395 9.740 9.354 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.818 10.539 9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.317 10.825 9.968 1.00 0.00 H new ATOM 669 N LYS A 46 -9.176 5.091 9.220 1.00 0.00 N ATOM 670 CA LYS A 46 -8.416 4.654 10.385 1.00 0.00 C ATOM 671 C LYS A 46 -6.916 4.782 10.136 1.00 0.00 C ATOM 672 O LYS A 46 -6.366 4.120 9.257 1.00 0.00 O ATOM 673 CB LYS A 46 -8.765 3.205 10.733 1.00 0.00 C ATOM 674 CG LYS A 46 -10.224 3.003 11.101 1.00 0.00 C ATOM 675 CD LYS A 46 -10.538 3.576 12.473 1.00 0.00 C ATOM 676 CE LYS A 46 -11.924 3.165 12.945 1.00 0.00 C ATOM 677 NZ LYS A 46 -12.158 3.537 14.368 1.00 0.00 N ATOM 0 H LYS A 46 -8.696 4.959 8.330 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.683 5.297 11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.522 2.567 9.883 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.141 2.879 11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.858 3.479 10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.460 1.939 11.088 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.792 3.234 13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.472 4.663 12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -12.677 3.640 12.317 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.043 2.088 12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.113 3.240 14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.455 3.064 14.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.069 4.568 14.477 1.00 0.00 H new ATOM 691 N ALA A 47 -6.262 5.635 10.916 1.00 0.00 N ATOM 692 CA ALA A 47 -4.826 5.846 10.782 1.00 0.00 C ATOM 693 C ALA A 47 -4.065 4.530 10.896 1.00 0.00 C ATOM 694 O ALA A 47 -4.174 3.824 11.899 1.00 0.00 O ATOM 695 CB ALA A 47 -4.337 6.833 11.832 1.00 0.00 C ATOM 0 H ALA A 47 -6.704 6.192 11.648 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.636 6.261 9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.263 6.981 11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.850 7.786 11.702 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.547 6.440 12.827 1.00 0.00 H new ATOM 701 N ILE A 48 -3.295 4.205 9.862 1.00 0.00 N ATOM 702 CA ILE A 48 -2.516 2.973 9.848 1.00 0.00 C ATOM 703 C ILE A 48 -1.165 3.169 10.526 1.00 0.00 C ATOM 704 O ILE A 48 -0.547 4.228 10.407 1.00 0.00 O ATOM 705 CB ILE A 48 -2.289 2.468 8.411 1.00 0.00 C ATOM 706 CG1 ILE A 48 -3.619 2.385 7.660 1.00 0.00 C ATOM 707 CG2 ILE A 48 -1.599 1.112 8.429 1.00 0.00 C ATOM 708 CD1 ILE A 48 -3.463 2.074 6.187 1.00 0.00 C ATOM 0 H ILE A 48 -3.194 4.778 9.024 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.091 2.229 10.399 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.643 3.176 7.891 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.240 1.617 8.121 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.148 3.332 7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.445 0.768 7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.635 1.201 8.930 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.221 0.394 8.963 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.446 2.030 5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.869 2.854 5.711 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.962 1.113 6.069 1.00 0.00 H new ATOM 720 N ARG A 49 -0.710 2.142 11.236 1.00 0.00 N ATOM 721 CA ARG A 49 0.569 2.201 11.933 1.00 0.00 C ATOM 722 C ARG A 49 1.610 1.333 11.232 1.00 0.00 C ATOM 723 O ARG A 49 1.313 0.224 10.789 1.00 0.00 O ATOM 724 CB ARG A 49 0.405 1.748 13.384 1.00 0.00 C ATOM 725 CG ARG A 49 -0.137 0.334 13.524 1.00 0.00 C ATOM 726 CD ARG A 49 -0.814 0.127 14.869 1.00 0.00 C ATOM 727 NE ARG A 49 0.131 -0.298 15.898 1.00 0.00 N ATOM 728 CZ ARG A 49 -0.194 -0.453 17.176 1.00 0.00 C ATOM 729 NH1 ARG A 49 -1.435 -0.219 17.581 1.00 0.00 N ATOM 730 NH2 ARG A 49 0.722 -0.844 18.053 1.00 0.00 N ATOM 0 H ARG A 49 -1.208 1.259 11.344 1.00 0.00 H new ATOM 0 HA ARG A 49 0.914 3.235 11.920 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.371 1.809 13.886 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.265 2.437 13.897 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.849 0.135 12.723 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.677 -0.382 13.412 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.295 1.055 15.179 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.600 -0.621 14.768 1.00 0.00 H new ATOM 0 HE ARG A 49 1.094 -0.486 15.620 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.142 0.081 16.910 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.682 -0.339 18.563 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.677 -1.026 17.746 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.471 -0.963 19.034 1.00 0.00 H new ATOM 744 N LYS A 50 2.832 1.846 11.136 1.00 0.00 N ATOM 745 CA LYS A 50 3.919 1.119 10.490 1.00 0.00 C ATOM 746 C LYS A 50 4.231 -0.172 11.241 1.00 0.00 C ATOM 747 O LYS A 50 4.247 -0.197 12.471 1.00 0.00 O ATOM 748 CB LYS A 50 5.172 1.994 10.416 1.00 0.00 C ATOM 749 CG LYS A 50 6.369 1.291 9.799 1.00 0.00 C ATOM 750 CD LYS A 50 7.552 2.233 9.648 1.00 0.00 C ATOM 751 CE LYS A 50 8.256 2.460 10.977 1.00 0.00 C ATOM 752 NZ LYS A 50 9.605 3.062 10.794 1.00 0.00 N ATOM 0 H LYS A 50 3.095 2.763 11.498 1.00 0.00 H new ATOM 0 HA LYS A 50 3.602 0.863 9.479 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.947 2.888 9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.434 2.325 11.421 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.655 0.443 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.094 0.891 8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.258 1.820 8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.210 3.188 9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.648 3.114 11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.350 1.511 11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.052 3.201 11.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.193 2.427 10.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.513 3.980 10.313 1.00 0.00 H new ATOM 766 N SER A 51 4.479 -1.242 10.492 1.00 0.00 N ATOM 767 CA SER A 51 4.788 -2.537 11.086 1.00 0.00 C ATOM 768 C SER A 51 5.157 -3.554 10.011 1.00 0.00 C ATOM 769 O SER A 51 4.933 -3.325 8.823 1.00 0.00 O ATOM 770 CB SER A 51 3.596 -3.046 11.899 1.00 0.00 C ATOM 771 OG SER A 51 2.375 -2.802 11.221 1.00 0.00 O ATOM 0 H SER A 51 4.472 -1.237 9.472 1.00 0.00 H new ATOM 0 HA SER A 51 5.643 -2.410 11.749 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.707 -4.115 12.082 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.580 -2.556 12.872 1.00 0.00 H new ATOM 0 HG SER A 51 1.629 -3.138 11.760 1.00 0.00 H new ATOM 777 N GLN A 52 5.725 -4.678 10.438 1.00 0.00 N ATOM 778 CA GLN A 52 6.126 -5.730 9.513 1.00 0.00 C ATOM 779 C GLN A 52 5.065 -5.944 8.438 1.00 0.00 C ATOM 780 O GLN A 52 5.359 -6.433 7.348 1.00 0.00 O ATOM 781 CB GLN A 52 6.374 -7.037 10.269 1.00 0.00 C ATOM 782 CG GLN A 52 7.738 -7.105 10.935 1.00 0.00 C ATOM 783 CD GLN A 52 8.878 -6.986 9.943 1.00 0.00 C ATOM 784 OE1 GLN A 52 9.228 -7.951 9.263 1.00 0.00 O ATOM 785 NE2 GLN A 52 9.466 -5.798 9.856 1.00 0.00 N ATOM 0 H GLN A 52 5.917 -4.883 11.419 1.00 0.00 H new ATOM 0 HA GLN A 52 7.051 -5.418 9.028 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.602 -7.160 11.028 1.00 0.00 H new ATOM 0 HB3 GLN A 52 6.275 -7.872 9.576 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.818 -6.306 11.672 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.828 -8.048 11.475 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.144 -5.025 10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.240 -5.658 9.206 1.00 0.00 H new ATOM 794 N LYS A 53 3.828 -5.575 8.754 1.00 0.00 N ATOM 795 CA LYS A 53 2.721 -5.725 7.816 1.00 0.00 C ATOM 796 C LYS A 53 2.649 -4.534 6.865 1.00 0.00 C ATOM 797 O LYS A 53 2.624 -4.702 5.646 1.00 0.00 O ATOM 798 CB LYS A 53 1.400 -5.868 8.574 1.00 0.00 C ATOM 799 CG LYS A 53 0.173 -5.659 7.702 1.00 0.00 C ATOM 800 CD LYS A 53 0.048 -6.745 6.646 1.00 0.00 C ATOM 801 CE LYS A 53 -0.722 -7.947 7.171 1.00 0.00 C ATOM 802 NZ LYS A 53 -2.116 -7.589 7.552 1.00 0.00 N ATOM 0 H LYS A 53 3.567 -5.170 9.653 1.00 0.00 H new ATOM 0 HA LYS A 53 2.894 -6.626 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.353 -6.861 9.021 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.381 -5.149 9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.721 -5.652 8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.231 -4.684 7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.457 -6.343 5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.042 -7.059 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.742 -8.726 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.204 -8.361 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.723 -8.430 7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.129 -7.237 8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.471 -6.849 6.913 1.00 0.00 H new ATOM 816 N TYR A 54 2.615 -3.333 7.431 1.00 0.00 N ATOM 817 CA TYR A 54 2.544 -2.114 6.634 1.00 0.00 C ATOM 818 C TYR A 54 3.875 -1.368 6.659 1.00 0.00 C ATOM 819 O TYR A 54 4.072 -0.455 7.460 1.00 0.00 O ATOM 820 CB TYR A 54 1.428 -1.206 7.151 1.00 0.00 C ATOM 821 CG TYR A 54 0.063 -1.856 7.137 1.00 0.00 C ATOM 822 CD1 TYR A 54 -0.449 -2.419 5.975 1.00 0.00 C ATOM 823 CD2 TYR A 54 -0.715 -1.908 8.288 1.00 0.00 C ATOM 824 CE1 TYR A 54 -1.696 -3.013 5.957 1.00 0.00 C ATOM 825 CE2 TYR A 54 -1.962 -2.502 8.280 1.00 0.00 C ATOM 826 CZ TYR A 54 -2.449 -3.052 7.113 1.00 0.00 C ATOM 827 OH TYR A 54 -3.691 -3.645 7.100 1.00 0.00 O ATOM 0 H TYR A 54 2.635 -3.177 8.439 1.00 0.00 H new ATOM 0 HA TYR A 54 2.326 -2.396 5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.664 -0.898 8.170 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.397 -0.301 6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.138 -2.392 5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.338 -1.477 9.204 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.079 -3.444 5.044 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.553 -2.536 9.183 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.089 -3.589 7.994 1.00 0.00 H new ATOM 837 N ASP A 55 4.784 -1.765 5.776 1.00 0.00 N ATOM 838 CA ASP A 55 6.097 -1.134 5.694 1.00 0.00 C ATOM 839 C ASP A 55 6.003 0.228 5.013 1.00 0.00 C ATOM 840 O ASP A 55 5.767 0.317 3.809 1.00 0.00 O ATOM 841 CB ASP A 55 7.072 -2.033 4.932 1.00 0.00 C ATOM 842 CG ASP A 55 7.095 -3.449 5.470 1.00 0.00 C ATOM 843 OD1 ASP A 55 6.015 -4.073 5.545 1.00 0.00 O ATOM 844 OD2 ASP A 55 8.192 -3.935 5.818 1.00 0.00 O ATOM 0 H ASP A 55 4.637 -2.521 5.107 1.00 0.00 H new ATOM 0 HA ASP A 55 6.467 -0.988 6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.795 -2.052 3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.074 -1.609 4.991 1.00 0.00 H new ATOM 849 N VAL A 56 6.190 1.288 5.794 1.00 0.00 N ATOM 850 CA VAL A 56 6.127 2.646 5.267 1.00 0.00 C ATOM 851 C VAL A 56 7.496 3.114 4.789 1.00 0.00 C ATOM 852 O VAL A 56 8.438 3.220 5.575 1.00 0.00 O ATOM 853 CB VAL A 56 5.599 3.634 6.324 1.00 0.00 C ATOM 854 CG1 VAL A 56 5.497 5.036 5.741 1.00 0.00 C ATOM 855 CG2 VAL A 56 4.252 3.172 6.860 1.00 0.00 C ATOM 0 H VAL A 56 6.386 1.232 6.793 1.00 0.00 H new ATOM 0 HA VAL A 56 5.438 2.626 4.423 1.00 0.00 H new ATOM 0 HB VAL A 56 6.305 3.662 7.154 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.122 5.720 6.502 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.482 5.365 5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.813 5.028 4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.894 3.882 7.606 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.535 3.114 6.041 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.360 2.189 7.318 1.00 0.00 H new ATOM 865 N VAL A 57 7.601 3.395 3.493 1.00 0.00 N ATOM 866 CA VAL A 57 8.855 3.854 2.909 1.00 0.00 C ATOM 867 C VAL A 57 8.635 5.074 2.022 1.00 0.00 C ATOM 868 O VAL A 57 7.526 5.311 1.540 1.00 0.00 O ATOM 869 CB VAL A 57 9.527 2.744 2.080 1.00 0.00 C ATOM 870 CG1 VAL A 57 8.482 1.802 1.502 1.00 0.00 C ATOM 871 CG2 VAL A 57 10.382 3.348 0.975 1.00 0.00 C ATOM 0 H VAL A 57 6.832 3.312 2.828 1.00 0.00 H new ATOM 0 HA VAL A 57 9.509 4.125 3.738 1.00 0.00 H new ATOM 0 HB VAL A 57 10.177 2.167 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.976 1.024 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.917 1.344 2.313 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.804 2.362 0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.849 2.549 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.755 3.950 0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.155 3.978 1.416 1.00 0.00 H new ATOM 881 N CYS A 58 9.696 5.844 1.809 1.00 0.00 N ATOM 882 CA CYS A 58 9.619 7.040 0.979 1.00 0.00 C ATOM 883 C CYS A 58 11.012 7.514 0.576 1.00 0.00 C ATOM 884 O CYS A 58 11.855 7.788 1.430 1.00 0.00 O ATOM 885 CB CYS A 58 8.883 8.156 1.723 1.00 0.00 C ATOM 886 SG CYS A 58 8.821 9.725 0.827 1.00 0.00 S ATOM 0 H CYS A 58 10.620 5.661 2.200 1.00 0.00 H new ATOM 0 HA CYS A 58 9.065 6.789 0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.864 7.829 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.369 8.318 2.685 1.00 0.00 H new ATOM 0 HG CYS A 58 8.177 10.604 1.536 1.00 0.00 H new ATOM 892 N GLU A 59 11.246 7.605 -0.729 1.00 0.00 N ATOM 893 CA GLU A 59 12.538 8.042 -1.244 1.00 0.00 C ATOM 894 C GLU A 59 12.372 8.787 -2.566 1.00 0.00 C ATOM 895 O GLU A 59 11.536 8.428 -3.393 1.00 0.00 O ATOM 896 CB GLU A 59 13.468 6.843 -1.435 1.00 0.00 C ATOM 897 CG GLU A 59 14.181 6.417 -0.163 1.00 0.00 C ATOM 898 CD GLU A 59 14.814 7.583 0.570 1.00 0.00 C ATOM 899 OE1 GLU A 59 15.512 8.387 -0.083 1.00 0.00 O ATOM 900 OE2 GLU A 59 14.610 7.693 1.798 1.00 0.00 O ATOM 0 H GLU A 59 10.558 7.382 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 59 12.980 8.722 -0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.889 6.002 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 59 14.211 7.088 -2.194 1.00 0.00 H new ATOM 0 HG2 GLU A 59 13.471 5.920 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.952 5.687 -0.410 1.00 0.00 H new ATOM 907 N GLY A 60 13.178 9.828 -2.756 1.00 0.00 N ATOM 908 CA GLY A 60 13.105 10.608 -3.978 1.00 0.00 C ATOM 909 C GLY A 60 11.677 10.863 -4.419 1.00 0.00 C ATOM 910 O GLY A 60 11.306 10.562 -5.554 1.00 0.00 O ATOM 0 H GLY A 60 13.879 10.145 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.611 11.562 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.639 10.085 -4.771 1.00 0.00 H new ATOM 914 N THR A 61 10.872 11.420 -3.519 1.00 0.00 N ATOM 915 CA THR A 61 9.477 11.713 -3.820 1.00 0.00 C ATOM 916 C THR A 61 8.739 10.461 -4.283 1.00 0.00 C ATOM 917 O THR A 61 7.954 10.507 -5.229 1.00 0.00 O ATOM 918 CB THR A 61 9.352 12.799 -4.905 1.00 0.00 C ATOM 919 OG1 THR A 61 9.582 12.229 -6.198 1.00 0.00 O ATOM 920 CG2 THR A 61 10.343 13.926 -4.658 1.00 0.00 C ATOM 0 H THR A 61 11.163 11.677 -2.576 1.00 0.00 H new ATOM 0 HA THR A 61 9.025 12.078 -2.898 1.00 0.00 H new ATOM 0 HB THR A 61 8.343 13.208 -4.864 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.483 11.844 -6.230 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.237 14.681 -5.437 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.146 14.377 -3.685 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.358 13.528 -4.675 1.00 0.00 H new ATOM 928 N MET A 62 8.997 9.345 -3.609 1.00 0.00 N ATOM 929 CA MET A 62 8.356 8.081 -3.951 1.00 0.00 C ATOM 930 C MET A 62 7.866 7.363 -2.698 1.00 0.00 C ATOM 931 O MET A 62 8.617 6.626 -2.060 1.00 0.00 O ATOM 932 CB MET A 62 9.327 7.183 -4.720 1.00 0.00 C ATOM 933 CG MET A 62 8.669 5.953 -5.324 1.00 0.00 C ATOM 934 SD MET A 62 9.835 4.605 -5.598 1.00 0.00 S ATOM 935 CE MET A 62 10.008 3.964 -3.934 1.00 0.00 C ATOM 0 H MET A 62 9.645 9.290 -2.823 1.00 0.00 H new ATOM 0 HA MET A 62 7.496 8.299 -4.584 1.00 0.00 H new ATOM 0 HB2 MET A 62 9.793 7.764 -5.516 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.125 6.865 -4.048 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.873 5.611 -4.663 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.203 6.223 -6.272 1.00 0.00 H new ATOM 0 HE1 MET A 62 10.570 3.030 -3.960 1.00 0.00 H new ATOM 0 HE2 MET A 62 10.539 4.690 -3.318 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.021 3.781 -3.510 1.00 0.00 H new ATOM 945 N ALA A 63 6.602 7.584 -2.351 1.00 0.00 N ATOM 946 CA ALA A 63 6.012 6.957 -1.175 1.00 0.00 C ATOM 947 C ALA A 63 5.422 5.593 -1.518 1.00 0.00 C ATOM 948 O ALA A 63 4.586 5.475 -2.413 1.00 0.00 O ATOM 949 CB ALA A 63 4.944 7.860 -0.575 1.00 0.00 C ATOM 0 H ALA A 63 5.967 8.193 -2.868 1.00 0.00 H new ATOM 0 HA ALA A 63 6.802 6.808 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.512 7.379 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.392 8.810 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.162 8.038 -1.313 1.00 0.00 H new ATOM 955 N MET A 64 5.863 4.565 -0.800 1.00 0.00 N ATOM 956 CA MET A 64 5.378 3.209 -1.029 1.00 0.00 C ATOM 957 C MET A 64 4.835 2.601 0.260 1.00 0.00 C ATOM 958 O MET A 64 5.315 2.907 1.353 1.00 0.00 O ATOM 959 CB MET A 64 6.499 2.331 -1.588 1.00 0.00 C ATOM 960 CG MET A 64 6.012 0.998 -2.132 1.00 0.00 C ATOM 961 SD MET A 64 7.293 0.108 -3.038 1.00 0.00 S ATOM 962 CE MET A 64 8.569 -0.014 -1.788 1.00 0.00 C ATOM 0 H MET A 64 6.555 4.645 -0.055 1.00 0.00 H new ATOM 0 HA MET A 64 4.568 3.258 -1.756 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.012 2.873 -2.383 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.232 2.148 -0.802 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.660 0.380 -1.306 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.159 1.168 -2.789 1.00 0.00 H new ATOM 0 HE1 MET A 64 9.317 -0.743 -2.101 1.00 0.00 H new ATOM 0 HE2 MET A 64 9.043 0.959 -1.656 1.00 0.00 H new ATOM 0 HE3 MET A 64 8.125 -0.332 -0.845 1.00 0.00 H new ATOM 972 N LEU A 65 3.832 1.740 0.127 1.00 0.00 N ATOM 973 CA LEU A 65 3.223 1.089 1.282 1.00 0.00 C ATOM 974 C LEU A 65 3.075 -0.410 1.046 1.00 0.00 C ATOM 975 O LEU A 65 2.134 -0.856 0.389 1.00 0.00 O ATOM 976 CB LEU A 65 1.857 1.708 1.579 1.00 0.00 C ATOM 977 CG LEU A 65 1.033 1.024 2.671 1.00 0.00 C ATOM 978 CD1 LEU A 65 1.668 1.244 4.035 1.00 0.00 C ATOM 979 CD2 LEU A 65 -0.400 1.537 2.658 1.00 0.00 C ATOM 0 H LEU A 65 3.423 1.476 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 65 3.877 1.240 2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.007 2.750 1.863 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.273 1.710 0.659 1.00 0.00 H new ATOM 0 HG LEU A 65 1.016 -0.047 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.068 0.750 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.675 0.827 4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.717 2.312 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.972 1.039 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.403 2.613 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.853 1.327 1.689 1.00 0.00 H new ATOM 991 N VAL A 66 4.009 -1.185 1.588 1.00 0.00 N ATOM 992 CA VAL A 66 3.980 -2.635 1.440 1.00 0.00 C ATOM 993 C VAL A 66 2.939 -3.261 2.361 1.00 0.00 C ATOM 994 O VAL A 66 2.798 -2.862 3.517 1.00 0.00 O ATOM 995 CB VAL A 66 5.357 -3.258 1.742 1.00 0.00 C ATOM 996 CG1 VAL A 66 5.406 -4.701 1.265 1.00 0.00 C ATOM 997 CG2 VAL A 66 6.464 -2.437 1.099 1.00 0.00 C ATOM 0 H VAL A 66 4.795 -0.833 2.134 1.00 0.00 H new ATOM 0 HA VAL A 66 3.715 -2.842 0.403 1.00 0.00 H new ATOM 0 HB VAL A 66 5.511 -3.252 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.386 -5.124 1.487 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.637 -5.280 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.231 -4.735 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.430 -2.891 1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.317 -2.410 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.440 -1.421 1.494 1.00 0.00 H new ATOM 1007 N ILE A 67 2.212 -4.244 1.841 1.00 0.00 N ATOM 1008 CA ILE A 67 1.184 -4.927 2.617 1.00 0.00 C ATOM 1009 C ILE A 67 1.441 -6.429 2.668 1.00 0.00 C ATOM 1010 O ILE A 67 0.760 -7.209 2.002 1.00 0.00 O ATOM 1011 CB ILE A 67 -0.220 -4.677 2.035 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -0.536 -3.180 2.034 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -1.266 -5.445 2.828 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -1.468 -2.760 0.918 1.00 0.00 C ATOM 0 H ILE A 67 2.316 -4.585 0.885 1.00 0.00 H new ATOM 0 HA ILE A 67 1.228 -4.519 3.627 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.240 -5.034 1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.983 -2.911 2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.395 -2.620 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.253 -5.258 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.047 -6.512 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.249 -5.116 3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.648 -1.687 0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.014 -2.998 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.414 -3.293 1.014 1.00 0.00 H new ATOM 1026 N ARG A 68 2.427 -6.828 3.465 1.00 0.00 N ATOM 1027 CA ARG A 68 2.773 -8.238 3.604 1.00 0.00 C ATOM 1028 C ARG A 68 1.524 -9.086 3.823 1.00 0.00 C ATOM 1029 O ARG A 68 0.668 -8.750 4.640 1.00 0.00 O ATOM 1030 CB ARG A 68 3.746 -8.433 4.769 1.00 0.00 C ATOM 1031 CG ARG A 68 5.208 -8.329 4.366 1.00 0.00 C ATOM 1032 CD ARG A 68 5.632 -9.504 3.499 1.00 0.00 C ATOM 1033 NE ARG A 68 6.103 -10.632 4.298 1.00 0.00 N ATOM 1034 CZ ARG A 68 7.172 -10.579 5.085 1.00 0.00 C ATOM 1035 NH1 ARG A 68 7.875 -9.459 5.179 1.00 0.00 N ATOM 1036 NH2 ARG A 68 7.538 -11.647 5.781 1.00 0.00 N ATOM 0 H ARG A 68 3.000 -6.196 4.024 1.00 0.00 H new ATOM 0 HA ARG A 68 3.253 -8.561 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.535 -7.687 5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.570 -9.411 5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.372 -7.398 3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.831 -8.291 5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.791 -9.822 2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.423 -9.186 2.819 1.00 0.00 H new ATOM 0 HE ARG A 68 5.583 -11.508 4.249 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.596 -8.635 4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.695 -9.421 5.784 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.999 -12.510 5.712 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.359 -11.605 6.385 1.00 0.00 H new ATOM 1050 N GLY A 69 1.426 -10.188 3.085 1.00 0.00 N ATOM 1051 CA GLY A 69 0.278 -11.066 3.212 1.00 0.00 C ATOM 1052 C GLY A 69 -1.037 -10.327 3.065 1.00 0.00 C ATOM 1053 O GLY A 69 -1.687 -10.000 4.057 1.00 0.00 O ATOM 0 H GLY A 69 2.121 -10.488 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 69 0.338 -11.849 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.307 -11.559 4.184 1.00 0.00 H new ATOM 1057 N ALA A 70 -1.429 -10.062 1.823 1.00 0.00 N ATOM 1058 CA ALA A 70 -2.675 -9.357 1.549 1.00 0.00 C ATOM 1059 C ALA A 70 -3.836 -10.333 1.397 1.00 0.00 C ATOM 1060 O ALA A 70 -4.015 -10.940 0.341 1.00 0.00 O ATOM 1061 CB ALA A 70 -2.534 -8.502 0.298 1.00 0.00 C ATOM 0 H ALA A 70 -0.901 -10.325 0.991 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.890 -8.707 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.472 -7.981 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.737 -7.772 0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.291 -9.139 -0.553 1.00 0.00 H new ATOM 1067 N SER A 71 -4.623 -10.480 2.458 1.00 0.00 N ATOM 1068 CA SER A 71 -5.765 -11.387 2.443 1.00 0.00 C ATOM 1069 C SER A 71 -7.028 -10.663 1.988 1.00 0.00 C ATOM 1070 O SER A 71 -7.043 -9.438 1.859 1.00 0.00 O ATOM 1071 CB SER A 71 -5.982 -11.990 3.832 1.00 0.00 C ATOM 1072 OG SER A 71 -4.936 -12.886 4.169 1.00 0.00 O ATOM 0 H SER A 71 -4.491 -9.983 3.339 1.00 0.00 H new ATOM 0 HA SER A 71 -5.552 -12.188 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.035 -11.193 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.937 -12.515 3.859 1.00 0.00 H new ATOM 0 HG SER A 71 -5.097 -13.256 5.062 1.00 0.00 H new ATOM 1078 N LEU A 72 -8.086 -11.428 1.745 1.00 0.00 N ATOM 1079 CA LEU A 72 -9.355 -10.861 1.303 1.00 0.00 C ATOM 1080 C LEU A 72 -9.805 -9.740 2.236 1.00 0.00 C ATOM 1081 O LEU A 72 -10.632 -8.906 1.868 1.00 0.00 O ATOM 1082 CB LEU A 72 -10.429 -11.949 1.241 1.00 0.00 C ATOM 1083 CG LEU A 72 -10.067 -13.204 0.445 1.00 0.00 C ATOM 1084 CD1 LEU A 72 -11.132 -14.275 0.624 1.00 0.00 C ATOM 1085 CD2 LEU A 72 -9.889 -12.868 -1.028 1.00 0.00 C ATOM 0 H LEU A 72 -8.090 -12.443 1.847 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.210 -10.444 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.675 -12.248 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.332 -11.517 0.809 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.122 -13.593 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.858 -15.160 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -11.211 -14.536 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -12.091 -13.897 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.632 -13.773 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.818 -12.455 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.090 -12.135 -1.140 1.00 0.00 H new ATOM 1097 N LYS A 73 -9.252 -9.726 3.444 1.00 0.00 N ATOM 1098 CA LYS A 73 -9.592 -8.706 4.429 1.00 0.00 C ATOM 1099 C LYS A 73 -8.818 -7.418 4.169 1.00 0.00 C ATOM 1100 O LYS A 73 -9.363 -6.321 4.286 1.00 0.00 O ATOM 1101 CB LYS A 73 -9.297 -9.215 5.842 1.00 0.00 C ATOM 1102 CG LYS A 73 -10.461 -9.957 6.477 1.00 0.00 C ATOM 1103 CD LYS A 73 -10.018 -10.750 7.695 1.00 0.00 C ATOM 1104 CE LYS A 73 -9.484 -12.120 7.305 1.00 0.00 C ATOM 1105 NZ LYS A 73 -9.653 -13.114 8.400 1.00 0.00 N ATOM 0 H LYS A 73 -8.566 -10.410 3.765 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.657 -8.492 4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.431 -9.876 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.027 -8.369 6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.233 -9.245 6.767 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.907 -10.631 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.246 -10.196 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.858 -10.867 8.379 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.002 -12.471 6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.428 -12.038 7.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.277 -14.034 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.137 -12.792 9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.663 -13.211 8.628 1.00 0.00 H new ATOM 1119 N ASP A 74 -7.546 -7.560 3.814 1.00 0.00 N ATOM 1120 CA ASP A 74 -6.697 -6.408 3.535 1.00 0.00 C ATOM 1121 C ASP A 74 -7.350 -5.488 2.507 1.00 0.00 C ATOM 1122 O ASP A 74 -7.148 -4.275 2.528 1.00 0.00 O ATOM 1123 CB ASP A 74 -5.328 -6.866 3.029 1.00 0.00 C ATOM 1124 CG ASP A 74 -4.435 -7.365 4.149 1.00 0.00 C ATOM 1125 OD1 ASP A 74 -4.795 -8.374 4.790 1.00 0.00 O ATOM 1126 OD2 ASP A 74 -3.376 -6.746 4.382 1.00 0.00 O ATOM 0 H ASP A 74 -7.080 -8.462 3.713 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.565 -5.852 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.462 -7.660 2.294 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.837 -6.038 2.518 1.00 0.00 H new ATOM 1131 N ALA A 75 -8.134 -6.075 1.609 1.00 0.00 N ATOM 1132 CA ALA A 75 -8.817 -5.309 0.574 1.00 0.00 C ATOM 1133 C ALA A 75 -9.632 -4.172 1.181 1.00 0.00 C ATOM 1134 O ALA A 75 -10.574 -4.405 1.936 1.00 0.00 O ATOM 1135 CB ALA A 75 -9.713 -6.220 -0.252 1.00 0.00 C ATOM 0 H ALA A 75 -8.312 -7.079 1.577 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.061 -4.872 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.217 -5.635 -1.021 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.108 -6.995 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.456 -6.684 0.396 1.00 0.00 H new ATOM 1141 N GLY A 76 -9.261 -2.940 0.846 1.00 0.00 N ATOM 1142 CA GLY A 76 -9.967 -1.785 1.368 1.00 0.00 C ATOM 1143 C GLY A 76 -9.564 -0.497 0.676 1.00 0.00 C ATOM 1144 O GLY A 76 -8.932 -0.524 -0.379 1.00 0.00 O ATOM 0 H GLY A 76 -8.484 -2.721 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.040 -1.936 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.772 -1.696 2.437 1.00 0.00 H new ATOM 1148 N GLU A 77 -9.932 0.633 1.271 1.00 0.00 N ATOM 1149 CA GLU A 77 -9.607 1.936 0.704 1.00 0.00 C ATOM 1150 C GLU A 77 -8.372 2.529 1.376 1.00 0.00 C ATOM 1151 O GLU A 77 -8.272 2.554 2.603 1.00 0.00 O ATOM 1152 CB GLU A 77 -10.791 2.893 0.853 1.00 0.00 C ATOM 1153 CG GLU A 77 -10.880 3.928 -0.255 1.00 0.00 C ATOM 1154 CD GLU A 77 -11.896 5.015 0.042 1.00 0.00 C ATOM 1155 OE1 GLU A 77 -11.666 5.799 0.986 1.00 0.00 O ATOM 1156 OE2 GLU A 77 -12.920 5.081 -0.670 1.00 0.00 O ATOM 0 H GLU A 77 -10.455 0.672 2.146 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.392 1.798 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.715 2.314 0.873 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.715 3.405 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.900 4.382 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.146 3.433 -1.189 1.00 0.00 H new ATOM 1163 N TYR A 78 -7.435 3.005 0.564 1.00 0.00 N ATOM 1164 CA TYR A 78 -6.205 3.596 1.080 1.00 0.00 C ATOM 1165 C TYR A 78 -6.134 5.083 0.746 1.00 0.00 C ATOM 1166 O TYR A 78 -5.792 5.466 -0.373 1.00 0.00 O ATOM 1167 CB TYR A 78 -4.987 2.873 0.503 1.00 0.00 C ATOM 1168 CG TYR A 78 -4.755 1.504 1.101 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.038 1.353 2.282 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -5.252 0.362 0.485 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -3.824 0.104 2.832 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.044 -0.891 1.029 1.00 0.00 C ATOM 1173 CZ TYR A 78 -4.329 -1.015 2.202 1.00 0.00 C ATOM 1174 OH TYR A 78 -4.118 -2.261 2.746 1.00 0.00 O ATOM 0 H TYR A 78 -7.503 2.993 -0.454 1.00 0.00 H new ATOM 0 HA TYR A 78 -6.205 3.485 2.164 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -5.112 2.773 -0.575 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.101 3.486 0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.642 2.227 2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -5.810 0.455 -0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -3.264 0.004 3.750 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.439 -1.768 0.539 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.540 -2.941 2.180 1.00 0.00 H new ATOM 1184 N THR A 79 -6.458 5.919 1.728 1.00 0.00 N ATOM 1185 CA THR A 79 -6.432 7.364 1.541 1.00 0.00 C ATOM 1186 C THR A 79 -5.081 7.946 1.941 1.00 0.00 C ATOM 1187 O THR A 79 -4.736 7.982 3.123 1.00 0.00 O ATOM 1188 CB THR A 79 -7.539 8.057 2.358 1.00 0.00 C ATOM 1189 OG1 THR A 79 -8.826 7.700 1.841 1.00 0.00 O ATOM 1190 CG2 THR A 79 -7.373 9.568 2.321 1.00 0.00 C ATOM 0 H THR A 79 -6.741 5.620 2.661 1.00 0.00 H new ATOM 0 HA THR A 79 -6.604 7.548 0.481 1.00 0.00 H new ATOM 0 HB THR A 79 -7.459 7.724 3.393 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.524 8.143 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 79 -8.166 10.036 2.905 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.405 9.838 2.742 1.00 0.00 H new ATOM 0 HG23 THR A 79 -7.429 9.915 1.289 1.00 0.00 H new ATOM 1198 N CYS A 80 -4.321 8.401 0.951 1.00 0.00 N ATOM 1199 CA CYS A 80 -3.007 8.982 1.201 1.00 0.00 C ATOM 1200 C CYS A 80 -3.115 10.480 1.463 1.00 0.00 C ATOM 1201 O CYS A 80 -3.085 11.286 0.534 1.00 0.00 O ATOM 1202 CB CYS A 80 -2.079 8.726 0.012 1.00 0.00 C ATOM 1203 SG CYS A 80 -0.321 8.897 0.397 1.00 0.00 S ATOM 0 H CYS A 80 -4.592 8.379 -0.032 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.590 8.506 2.088 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -2.261 7.720 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.333 9.419 -0.790 1.00 0.00 H new ATOM 0 HG CYS A 80 0.004 8.049 1.327 1.00 0.00 H new ATOM 1209 N GLU A 81 -3.244 10.845 2.735 1.00 0.00 N ATOM 1210 CA GLU A 81 -3.360 12.247 3.119 1.00 0.00 C ATOM 1211 C GLU A 81 -1.983 12.896 3.232 1.00 0.00 C ATOM 1212 O GLU A 81 -1.127 12.434 3.987 1.00 0.00 O ATOM 1213 CB GLU A 81 -4.107 12.374 4.449 1.00 0.00 C ATOM 1214 CG GLU A 81 -4.892 13.668 4.584 1.00 0.00 C ATOM 1215 CD GLU A 81 -5.209 14.010 6.027 1.00 0.00 C ATOM 1216 OE1 GLU A 81 -5.622 13.100 6.776 1.00 0.00 O ATOM 1217 OE2 GLU A 81 -5.044 15.188 6.407 1.00 0.00 O ATOM 0 H GLU A 81 -3.271 10.190 3.516 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.924 12.765 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -4.790 11.531 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.390 12.307 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.322 14.483 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.822 13.585 4.021 1.00 0.00 H new ATOM 1224 N VAL A 82 -1.778 13.969 2.476 1.00 0.00 N ATOM 1225 CA VAL A 82 -0.506 14.682 2.490 1.00 0.00 C ATOM 1226 C VAL A 82 -0.661 16.070 3.103 1.00 0.00 C ATOM 1227 O VAL A 82 -1.730 16.423 3.600 1.00 0.00 O ATOM 1228 CB VAL A 82 0.075 14.822 1.071 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -0.461 16.075 0.395 1.00 0.00 C ATOM 1230 CG2 VAL A 82 1.596 14.841 1.118 1.00 0.00 C ATOM 0 H VAL A 82 -2.476 14.364 1.846 1.00 0.00 H new ATOM 0 HA VAL A 82 0.180 14.093 3.099 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.237 13.959 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.039 16.157 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.547 16.016 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.181 16.952 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.990 14.940 0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.931 15.684 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.958 13.912 1.559 1.00 0.00 H new ATOM 1240 N GLU A 83 0.413 16.852 3.064 1.00 0.00 N ATOM 1241 CA GLU A 83 0.395 18.201 3.616 1.00 0.00 C ATOM 1242 C GLU A 83 -0.986 18.832 3.465 1.00 0.00 C ATOM 1243 O GLU A 83 -1.615 19.217 4.451 1.00 0.00 O ATOM 1244 CB GLU A 83 1.445 19.073 2.924 1.00 0.00 C ATOM 1245 CG GLU A 83 2.542 18.276 2.238 1.00 0.00 C ATOM 1246 CD GLU A 83 3.765 19.116 1.926 1.00 0.00 C ATOM 1247 OE1 GLU A 83 3.670 20.004 1.054 1.00 0.00 O ATOM 1248 OE2 GLU A 83 4.819 18.884 2.556 1.00 0.00 O ATOM 0 H GLU A 83 1.306 16.575 2.656 1.00 0.00 H new ATOM 0 HA GLU A 83 0.631 18.135 4.678 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.951 19.705 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.897 19.737 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.832 17.441 2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.153 17.850 1.313 1.00 0.00 H new ATOM 1255 N ALA A 84 -1.450 18.936 2.225 1.00 0.00 N ATOM 1256 CA ALA A 84 -2.757 19.519 1.944 1.00 0.00 C ATOM 1257 C ALA A 84 -3.547 18.652 0.970 1.00 0.00 C ATOM 1258 O ALA A 84 -4.773 18.571 1.049 1.00 0.00 O ATOM 1259 CB ALA A 84 -2.598 20.928 1.392 1.00 0.00 C ATOM 0 H ALA A 84 -0.941 18.624 1.398 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.315 19.568 2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.581 21.351 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.081 21.549 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.018 20.894 0.470 1.00 0.00 H new ATOM 1265 N SER A 85 -2.837 18.006 0.050 1.00 0.00 N ATOM 1266 CA SER A 85 -3.474 17.149 -0.943 1.00 0.00 C ATOM 1267 C SER A 85 -3.821 15.789 -0.344 1.00 0.00 C ATOM 1268 O SER A 85 -3.544 15.523 0.825 1.00 0.00 O ATOM 1269 CB SER A 85 -2.555 16.966 -2.153 1.00 0.00 C ATOM 1270 OG SER A 85 -3.307 16.780 -3.340 1.00 0.00 O ATOM 0 H SER A 85 -1.821 18.060 -0.028 1.00 0.00 H new ATOM 0 HA SER A 85 -4.397 17.631 -1.265 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.911 17.839 -2.260 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.904 16.107 -1.993 1.00 0.00 H new ATOM 0 HG SER A 85 -2.698 16.667 -4.099 1.00 0.00 H new ATOM 1276 N LYS A 86 -4.431 14.931 -1.155 1.00 0.00 N ATOM 1277 CA LYS A 86 -4.817 13.598 -0.709 1.00 0.00 C ATOM 1278 C LYS A 86 -5.265 12.738 -1.887 1.00 0.00 C ATOM 1279 O LYS A 86 -5.805 13.247 -2.869 1.00 0.00 O ATOM 1280 CB LYS A 86 -5.940 13.689 0.326 1.00 0.00 C ATOM 1281 CG LYS A 86 -6.808 12.444 0.394 1.00 0.00 C ATOM 1282 CD LYS A 86 -8.017 12.655 1.290 1.00 0.00 C ATOM 1283 CE LYS A 86 -9.204 13.194 0.506 1.00 0.00 C ATOM 1284 NZ LYS A 86 -9.811 12.151 -0.366 1.00 0.00 N ATOM 0 H LYS A 86 -4.669 15.136 -2.126 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.946 13.130 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.504 13.871 1.308 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.569 14.548 0.092 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.140 12.176 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.218 11.608 0.769 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.290 11.712 1.763 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.762 13.350 2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.956 13.571 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.883 14.037 -0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.795 12.473 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.268 11.268 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.794 11.982 -0.073 1.00 0.00 H new ATOM 1298 N SER A 87 -5.039 11.433 -1.781 1.00 0.00 N ATOM 1299 CA SER A 87 -5.417 10.503 -2.838 1.00 0.00 C ATOM 1300 C SER A 87 -6.199 9.323 -2.270 1.00 0.00 C ATOM 1301 O SER A 87 -5.917 8.847 -1.169 1.00 0.00 O ATOM 1302 CB SER A 87 -4.173 9.999 -3.572 1.00 0.00 C ATOM 1303 OG SER A 87 -4.517 9.415 -4.817 1.00 0.00 O ATOM 0 H SER A 87 -4.596 10.995 -0.973 1.00 0.00 H new ATOM 0 HA SER A 87 -6.056 11.034 -3.543 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.482 10.826 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.654 9.266 -2.954 1.00 0.00 H new ATOM 0 HG SER A 87 -4.529 8.439 -4.728 1.00 0.00 H new ATOM 1309 N THR A 88 -7.185 8.853 -3.028 1.00 0.00 N ATOM 1310 CA THR A 88 -8.009 7.730 -2.601 1.00 0.00 C ATOM 1311 C THR A 88 -7.955 6.592 -3.614 1.00 0.00 C ATOM 1312 O THR A 88 -7.937 6.823 -4.822 1.00 0.00 O ATOM 1313 CB THR A 88 -9.477 8.154 -2.402 1.00 0.00 C ATOM 1314 OG1 THR A 88 -9.561 9.164 -1.390 1.00 0.00 O ATOM 1315 CG2 THR A 88 -10.336 6.962 -2.008 1.00 0.00 C ATOM 0 H THR A 88 -7.432 9.234 -3.942 1.00 0.00 H new ATOM 0 HA THR A 88 -7.605 7.386 -1.649 1.00 0.00 H new ATOM 0 HB THR A 88 -9.849 8.553 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.497 9.430 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.368 7.286 -1.873 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.292 6.207 -2.793 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.964 6.538 -1.075 1.00 0.00 H new ATOM 1323 N ALA A 89 -7.929 5.361 -3.113 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.879 4.186 -3.974 1.00 0.00 C ATOM 1325 C ALA A 89 -8.612 3.009 -3.340 1.00 0.00 C ATOM 1326 O ALA A 89 -9.201 3.138 -2.267 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.435 3.812 -4.273 1.00 0.00 C ATOM 0 H ALA A 89 -7.942 5.152 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.381 4.431 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.413 2.933 -4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.941 4.643 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.916 3.592 -3.340 1.00 0.00 H new ATOM 1333 N SER A 90 -8.572 1.862 -4.011 1.00 0.00 N ATOM 1334 CA SER A 90 -9.237 0.663 -3.515 1.00 0.00 C ATOM 1335 C SER A 90 -8.452 -0.589 -3.893 1.00 0.00 C ATOM 1336 O SER A 90 -8.189 -0.840 -5.070 1.00 0.00 O ATOM 1337 CB SER A 90 -10.659 0.575 -4.073 1.00 0.00 C ATOM 1338 OG SER A 90 -11.449 1.666 -3.632 1.00 0.00 O ATOM 0 H SER A 90 -8.086 1.738 -4.899 1.00 0.00 H new ATOM 0 HA SER A 90 -9.284 0.727 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.625 0.563 -5.162 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.119 -0.362 -3.758 1.00 0.00 H new ATOM 0 HG SER A 90 -12.352 1.587 -4.004 1.00 0.00 H new ATOM 1344 N LEU A 91 -8.080 -1.373 -2.887 1.00 0.00 N ATOM 1345 CA LEU A 91 -7.324 -2.600 -3.112 1.00 0.00 C ATOM 1346 C LEU A 91 -8.260 -3.786 -3.322 1.00 0.00 C ATOM 1347 O LEU A 91 -9.253 -3.939 -2.610 1.00 0.00 O ATOM 1348 CB LEU A 91 -6.393 -2.873 -1.929 1.00 0.00 C ATOM 1349 CG LEU A 91 -6.020 -4.337 -1.693 1.00 0.00 C ATOM 1350 CD1 LEU A 91 -5.060 -4.823 -2.768 1.00 0.00 C ATOM 1351 CD2 LEU A 91 -5.410 -4.516 -0.311 1.00 0.00 C ATOM 0 H LEU A 91 -8.290 -1.181 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.726 -2.469 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.475 -2.304 -2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.865 -2.489 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.929 -4.937 -1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.806 -5.867 -2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.533 -4.732 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.153 -4.219 -2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.151 -5.564 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.512 -3.904 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.130 -4.208 0.447 1.00 0.00 H new ATOM 1363 N HIS A 92 -7.937 -4.623 -4.302 1.00 0.00 N ATOM 1364 CA HIS A 92 -8.748 -5.797 -4.603 1.00 0.00 C ATOM 1365 C HIS A 92 -7.955 -7.080 -4.368 1.00 0.00 C ATOM 1366 O HIS A 92 -6.775 -7.163 -4.708 1.00 0.00 O ATOM 1367 CB HIS A 92 -9.239 -5.746 -6.050 1.00 0.00 C ATOM 1368 CG HIS A 92 -10.112 -4.564 -6.344 1.00 0.00 C ATOM 1369 ND1 HIS A 92 -11.459 -4.531 -6.048 1.00 0.00 N ATOM 1370 CD2 HIS A 92 -9.823 -3.369 -6.910 1.00 0.00 C ATOM 1371 CE1 HIS A 92 -11.960 -3.367 -6.421 1.00 0.00 C ATOM 1372 NE2 HIS A 92 -10.988 -2.643 -6.946 1.00 0.00 N ATOM 0 H HIS A 92 -7.119 -4.510 -4.901 1.00 0.00 H new ATOM 0 HA HIS A 92 -9.609 -5.795 -3.934 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -8.377 -5.726 -6.717 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -9.792 -6.659 -6.270 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -8.856 -3.046 -7.267 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -12.990 -3.059 -6.315 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -11.087 -1.698 -7.318 1.00 0.00 H new ATOM 1381 N VAL A 93 -8.612 -8.077 -3.784 1.00 0.00 N ATOM 1382 CA VAL A 93 -7.970 -9.355 -3.504 1.00 0.00 C ATOM 1383 C VAL A 93 -8.922 -10.517 -3.762 1.00 0.00 C ATOM 1384 O VAL A 93 -9.994 -10.598 -3.164 1.00 0.00 O ATOM 1385 CB VAL A 93 -7.473 -9.426 -2.048 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -7.082 -10.851 -1.686 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -6.305 -8.474 -1.836 1.00 0.00 C ATOM 0 H VAL A 93 -9.589 -8.024 -3.496 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.116 -9.434 -4.176 1.00 0.00 H new ATOM 0 HB VAL A 93 -8.286 -9.119 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.733 -10.882 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.947 -11.505 -1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.285 -11.189 -2.348 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.967 -8.538 -0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.487 -8.747 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.623 -7.454 -2.052 1.00 0.00 H new ATOM 1397 N GLU A 94 -8.522 -11.415 -4.657 1.00 0.00 N ATOM 1398 CA GLU A 94 -9.341 -12.574 -4.994 1.00 0.00 C ATOM 1399 C GLU A 94 -8.470 -13.801 -5.246 1.00 0.00 C ATOM 1400 O GLU A 94 -7.321 -13.683 -5.669 1.00 0.00 O ATOM 1401 CB GLU A 94 -10.196 -12.280 -6.229 1.00 0.00 C ATOM 1402 CG GLU A 94 -11.217 -11.175 -6.013 1.00 0.00 C ATOM 1403 CD GLU A 94 -12.526 -11.693 -5.450 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -12.591 -11.938 -4.227 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -13.486 -11.855 -6.233 1.00 0.00 O ATOM 0 H GLU A 94 -7.637 -11.362 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 94 -9.996 -12.782 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.542 -12.002 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.716 -13.191 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.803 -10.430 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.407 -10.671 -6.960 1.00 0.00 H new ATOM 1412 N GLU A 95 -9.027 -14.979 -4.981 1.00 0.00 N ATOM 1413 CA GLU A 95 -8.301 -16.228 -5.178 1.00 0.00 C ATOM 1414 C GLU A 95 -8.625 -16.838 -6.538 1.00 0.00 C ATOM 1415 O GLU A 95 -9.770 -16.808 -6.988 1.00 0.00 O ATOM 1416 CB GLU A 95 -8.643 -17.223 -4.066 1.00 0.00 C ATOM 1417 CG GLU A 95 -7.519 -18.197 -3.754 1.00 0.00 C ATOM 1418 CD GLU A 95 -7.928 -19.257 -2.751 1.00 0.00 C ATOM 1419 OE1 GLU A 95 -9.117 -19.640 -2.742 1.00 0.00 O ATOM 1420 OE2 GLU A 95 -7.059 -19.705 -1.974 1.00 0.00 O ATOM 0 H GLU A 95 -9.978 -15.094 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.234 -16.007 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.896 -16.671 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.531 -17.786 -4.354 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.195 -18.680 -4.676 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.663 -17.646 -3.366 1.00 0.00 H new ATOM 1427 N LYS A 96 -7.607 -17.390 -7.190 1.00 0.00 N ATOM 1428 CA LYS A 96 -7.781 -18.007 -8.499 1.00 0.00 C ATOM 1429 C LYS A 96 -7.956 -19.517 -8.370 1.00 0.00 C ATOM 1430 O LYS A 96 -7.476 -20.127 -7.415 1.00 0.00 O ATOM 1431 CB LYS A 96 -6.580 -17.698 -9.396 1.00 0.00 C ATOM 1432 CG LYS A 96 -6.612 -16.303 -9.996 1.00 0.00 C ATOM 1433 CD LYS A 96 -5.992 -15.279 -9.061 1.00 0.00 C ATOM 1434 CE LYS A 96 -5.382 -14.118 -9.831 1.00 0.00 C ATOM 1435 NZ LYS A 96 -4.659 -13.175 -8.933 1.00 0.00 N ATOM 0 H LYS A 96 -6.652 -17.422 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.681 -17.591 -8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.665 -17.814 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.541 -18.430 -10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.076 -16.302 -10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.643 -16.023 -10.212 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.752 -14.903 -8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -5.224 -15.758 -8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -4.693 -14.503 -10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.168 -13.582 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -4.390 -12.324 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.278 -12.906 -8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.804 -13.636 -8.562 1.00 0.00 H new ATOM 1449 N ALA A 97 -8.645 -20.114 -9.337 1.00 0.00 N ATOM 1450 CA ALA A 97 -8.880 -21.552 -9.332 1.00 0.00 C ATOM 1451 C ALA A 97 -7.763 -22.293 -10.058 1.00 0.00 C ATOM 1452 O ALA A 97 -7.649 -22.219 -11.282 1.00 0.00 O ATOM 1453 CB ALA A 97 -10.226 -21.869 -9.967 1.00 0.00 C ATOM 0 H ALA A 97 -9.050 -19.623 -10.134 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.891 -21.890 -8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.388 -22.947 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -11.019 -21.377 -9.404 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -10.236 -21.511 -10.996 1.00 0.00 H new ATOM 1459 N SER A 98 -6.940 -23.008 -9.297 1.00 0.00 N ATOM 1460 CA SER A 98 -5.829 -23.759 -9.868 1.00 0.00 C ATOM 1461 C SER A 98 -6.337 -24.937 -10.694 1.00 0.00 C ATOM 1462 O SER A 98 -6.499 -26.044 -10.182 1.00 0.00 O ATOM 1463 CB SER A 98 -4.901 -24.261 -8.759 1.00 0.00 C ATOM 1464 OG SER A 98 -4.126 -23.202 -8.226 1.00 0.00 O ATOM 0 H SER A 98 -7.022 -23.083 -8.283 1.00 0.00 H new ATOM 0 HA SER A 98 -5.271 -23.091 -10.524 1.00 0.00 H new ATOM 0 HB2 SER A 98 -5.492 -24.719 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.243 -25.035 -9.154 1.00 0.00 H new ATOM 0 HG SER A 98 -3.543 -23.548 -7.518 1.00 0.00 H new ATOM 1470 N GLY A 99 -6.587 -24.689 -11.976 1.00 0.00 N ATOM 1471 CA GLY A 99 -7.074 -25.738 -12.853 1.00 0.00 C ATOM 1472 C GLY A 99 -8.516 -25.523 -13.269 1.00 0.00 C ATOM 1473 O GLY A 99 -9.074 -24.437 -13.112 1.00 0.00 O ATOM 0 H GLY A 99 -6.461 -23.781 -12.423 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.446 -25.785 -13.742 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.984 -26.700 -12.348 1.00 0.00 H new ATOM 1477 N PRO A 100 -9.142 -26.576 -13.814 1.00 0.00 N ATOM 1478 CA PRO A 100 -10.535 -26.522 -14.266 1.00 0.00 C ATOM 1479 C PRO A 100 -11.518 -26.415 -13.104 1.00 0.00 C ATOM 1480 O PRO A 100 -12.732 -26.408 -13.305 1.00 0.00 O ATOM 1481 CB PRO A 100 -10.721 -27.851 -15.002 1.00 0.00 C ATOM 1482 CG PRO A 100 -9.714 -28.765 -14.395 1.00 0.00 C ATOM 1483 CD PRO A 100 -8.538 -27.902 -14.030 1.00 0.00 C ATOM 0 HA PRO A 100 -10.729 -25.646 -14.884 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.733 -28.236 -14.874 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.557 -27.736 -16.073 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.120 -29.264 -13.515 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.422 -29.546 -15.097 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.036 -28.266 -13.134 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.794 -27.880 -14.826 1.00 0.00 H new ATOM 1491 N SER A 101 -10.984 -26.331 -11.890 1.00 0.00 N ATOM 1492 CA SER A 101 -11.814 -26.227 -10.696 1.00 0.00 C ATOM 1493 C SER A 101 -12.458 -27.570 -10.363 1.00 0.00 C ATOM 1494 O SER A 101 -13.669 -27.657 -10.162 1.00 0.00 O ATOM 1495 CB SER A 101 -12.897 -25.164 -10.893 1.00 0.00 C ATOM 1496 OG SER A 101 -13.309 -24.619 -9.651 1.00 0.00 O ATOM 0 H SER A 101 -9.980 -26.333 -11.707 1.00 0.00 H new ATOM 0 HA SER A 101 -11.174 -25.934 -9.863 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.518 -24.369 -11.535 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.754 -25.604 -11.403 1.00 0.00 H new ATOM 0 HG SER A 101 -14.000 -23.941 -9.804 1.00 0.00 H new ATOM 1502 N SER A 102 -11.638 -28.614 -10.307 1.00 0.00 N ATOM 1503 CA SER A 102 -12.126 -29.954 -10.003 1.00 0.00 C ATOM 1504 C SER A 102 -11.172 -30.678 -9.057 1.00 0.00 C ATOM 1505 O SER A 102 -10.099 -31.124 -9.460 1.00 0.00 O ATOM 1506 CB SER A 102 -12.295 -30.763 -11.291 1.00 0.00 C ATOM 1507 OG SER A 102 -12.541 -32.129 -11.006 1.00 0.00 O ATOM 0 H SER A 102 -10.632 -28.558 -10.468 1.00 0.00 H new ATOM 0 HA SER A 102 -13.095 -29.858 -9.512 1.00 0.00 H new ATOM 0 HB2 SER A 102 -13.121 -30.356 -11.875 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.397 -30.672 -11.902 1.00 0.00 H new ATOM 0 HG SER A 102 -12.647 -32.624 -11.845 1.00 0.00 H new ATOM 1513 N GLY A 103 -11.573 -30.789 -7.794 1.00 0.00 N ATOM 1514 CA GLY A 103 -10.744 -31.459 -6.809 1.00 0.00 C ATOM 1515 C GLY A 103 -10.668 -32.956 -7.036 1.00 0.00 C ATOM 1516 O GLY A 103 -9.718 -33.450 -7.644 1.00 0.00 O ATOM 0 H GLY A 103 -12.457 -30.427 -7.436 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.739 -31.039 -6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.141 -31.266 -5.813 1.00 0.00 H new TER 1520 GLY A 103