USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 534 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 4 HIS : no HD1:sc= -6.85! C(o=-7.1!,f=-6.7!) USER MOD Set 1.2: A 64 LYS NZ :NH3+ -165:sc= -0.0573 (180deg=-0.272) USER MOD Set 1.3: A 66 ASN : amide:sc= -0.169 K(o=-7.1,f=-11!) USER MOD Single : A 1 ILE N :NH3+ 166:sc= -0.112 (180deg=-0.414) USER MOD Single : A 5 THR OG1 : rot 153:sc= -0.425 USER MOD Single : A 6 THR OG1 : rot -145:sc= -2.33 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -90:sc= -4.01! USER MOD Single : A 15 THR OG1 : rot -14:sc= 0.215 USER MOD Single : A 21 ASN : amide:sc= -1.76 K(o=-1.8,f=-6.5!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 140:sc= -0.104 (180deg=-0.547) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -149:sc= -0.07 (180deg=-0.856) 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 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -88:sc= -4.94! USER MOD Single : A 68 HIS : no HD1:sc= -3.83! C(o=-3.8!,f=-3.9!) USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= -0.149 (180deg=-0.938) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -3.397 15.426 0.606 1.00 0.00 N ATOM 2 CA ILE A 1 -3.464 13.942 0.652 1.00 0.00 C ATOM 3 C ILE A 1 -2.924 13.408 1.978 1.00 0.00 C ATOM 4 O ILE A 1 -2.266 14.132 2.724 1.00 0.00 O ATOM 5 CB ILE A 1 -2.671 13.305 -0.508 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.397 14.103 -0.809 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.543 13.203 -1.752 1.00 0.00 C ATOM 8 CD1 ILE A 1 -0.529 13.476 -1.882 1.00 0.00 C ATOM 0 H1 ILE A 1 -3.541 15.750 -0.372 1.00 0.00 H new ATOM 0 H2 ILE A 1 -4.138 15.826 1.216 1.00 0.00 H new ATOM 0 H3 ILE A 1 -2.465 15.742 0.942 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.515 13.670 0.554 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.375 12.301 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.674 15.110 -1.120 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.814 14.201 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.970 12.752 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -4.414 12.585 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.870 14.199 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.354 14.094 -2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -0.222 12.479 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -1.095 13.403 -2.811 1.00 0.00 H new ATOM 22 N VAL A 2 -3.212 12.140 2.271 1.00 0.00 N ATOM 23 CA VAL A 2 -2.755 11.525 3.514 1.00 0.00 C ATOM 24 C VAL A 2 -2.733 9.985 3.410 1.00 0.00 C ATOM 25 O VAL A 2 -2.255 9.448 2.412 1.00 0.00 O ATOM 26 CB VAL A 2 -3.616 12.007 4.704 1.00 0.00 C ATOM 27 CG1 VAL A 2 -5.027 11.443 4.633 1.00 0.00 C ATOM 28 CG2 VAL A 2 -2.949 11.669 6.031 1.00 0.00 C ATOM 0 H VAL A 2 -3.756 11.523 1.668 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.728 11.843 3.693 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.697 13.092 4.638 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -5.605 11.802 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.503 11.769 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -4.985 10.354 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.575 12.019 6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.819 10.590 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.976 12.157 6.084 1.00 0.00 H new ATOM 38 N CYS A 3 -3.214 9.269 4.435 1.00 0.00 N ATOM 39 CA CYS A 3 -3.196 7.807 4.418 1.00 0.00 C ATOM 40 C CYS A 3 -4.319 7.209 3.572 1.00 0.00 C ATOM 41 O CYS A 3 -5.009 7.916 2.844 1.00 0.00 O ATOM 42 CB CYS A 3 -3.281 7.265 5.843 1.00 0.00 C ATOM 43 SG CYS A 3 -1.699 6.640 6.487 1.00 0.00 S ATOM 0 H CYS A 3 -3.617 9.678 5.278 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.253 7.509 3.959 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.644 8.055 6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.017 6.462 5.873 1.00 0.00 H new ATOM 48 N HIS A 4 -4.459 5.883 3.689 1.00 0.00 N ATOM 49 CA HIS A 4 -5.454 5.078 2.966 1.00 0.00 C ATOM 50 C HIS A 4 -6.470 5.881 2.151 1.00 0.00 C ATOM 51 O HIS A 4 -7.119 6.801 2.651 1.00 0.00 O ATOM 52 CB HIS A 4 -6.195 4.170 3.944 1.00 0.00 C ATOM 53 CG HIS A 4 -5.554 2.829 4.090 1.00 0.00 C ATOM 54 ND1 HIS A 4 -4.735 2.503 5.146 1.00 0.00 N ATOM 55 CD2 HIS A 4 -5.604 1.731 3.300 1.00 0.00 C ATOM 56 CE1 HIS A 4 -4.307 1.265 5.002 1.00 0.00 C ATOM 57 NE2 HIS A 4 -4.819 0.771 3.888 1.00 0.00 N ATOM 0 H HIS A 4 -3.868 5.325 4.305 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.882 4.500 2.240 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -6.239 4.654 4.920 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.223 4.041 3.605 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.158 1.629 2.379 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -3.649 0.742 5.680 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -4.657 -0.169 3.525 1.00 0.00 H new ATOM 66 N THR A 5 -6.616 5.474 0.892 1.00 0.00 N ATOM 67 CA THR A 5 -7.557 6.079 -0.033 1.00 0.00 C ATOM 68 C THR A 5 -8.624 5.051 -0.408 1.00 0.00 C ATOM 69 O THR A 5 -8.404 4.203 -1.273 1.00 0.00 O ATOM 70 CB THR A 5 -6.819 6.579 -1.288 1.00 0.00 C ATOM 71 OG1 THR A 5 -6.397 7.917 -1.108 1.00 0.00 O ATOM 72 CG2 THR A 5 -7.663 6.542 -2.548 1.00 0.00 C ATOM 0 H THR A 5 -6.078 4.708 0.487 1.00 0.00 H new ATOM 0 HA THR A 5 -8.038 6.935 0.441 1.00 0.00 H new ATOM 0 HB THR A 5 -5.978 5.898 -1.416 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.608 8.089 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.076 6.909 -3.390 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.979 5.517 -2.745 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.542 7.173 -2.416 1.00 0.00 H new ATOM 80 N THR A 6 -9.771 5.118 0.260 1.00 0.00 N ATOM 81 CA THR A 6 -10.860 4.175 0.007 1.00 0.00 C ATOM 82 C THR A 6 -11.786 4.659 -1.109 1.00 0.00 C ATOM 83 O THR A 6 -13.003 4.489 -1.036 1.00 0.00 O ATOM 84 CB THR A 6 -11.663 3.928 1.289 1.00 0.00 C ATOM 85 OG1 THR A 6 -11.167 4.720 2.352 1.00 0.00 O ATOM 86 CG2 THR A 6 -11.632 2.483 1.741 1.00 0.00 C ATOM 0 H THR A 6 -9.972 5.813 0.979 1.00 0.00 H new ATOM 0 HA THR A 6 -10.409 3.238 -0.320 1.00 0.00 H new ATOM 0 HB THR A 6 -12.691 4.196 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.245 4.224 3.194 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.219 2.374 2.653 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.053 1.849 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.602 2.184 1.935 1.00 0.00 H new ATOM 94 N ALA A 7 -11.202 5.244 -2.152 1.00 0.00 N ATOM 95 CA ALA A 7 -11.969 5.731 -3.295 1.00 0.00 C ATOM 96 C ALA A 7 -12.719 7.022 -2.976 1.00 0.00 C ATOM 97 O ALA A 7 -12.254 8.111 -3.311 1.00 0.00 O ATOM 98 CB ALA A 7 -12.934 4.658 -3.790 1.00 0.00 C ATOM 0 H ALA A 7 -10.196 5.393 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.257 5.958 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -13.497 5.040 -4.642 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.372 3.775 -4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -13.624 4.392 -2.989 1.00 0.00 H new ATOM 104 N THR A 8 -13.888 6.902 -2.351 1.00 0.00 N ATOM 105 CA THR A 8 -14.689 8.081 -2.028 1.00 0.00 C ATOM 106 C THR A 8 -15.381 7.984 -0.667 1.00 0.00 C ATOM 107 O THR A 8 -15.914 8.979 -0.179 1.00 0.00 O ATOM 108 CB THR A 8 -15.738 8.317 -3.116 1.00 0.00 C ATOM 109 OG1 THR A 8 -16.478 7.136 -3.366 1.00 0.00 O ATOM 110 CG2 THR A 8 -15.143 8.777 -4.431 1.00 0.00 C ATOM 0 H THR A 8 -14.298 6.014 -2.061 1.00 0.00 H new ATOM 0 HA THR A 8 -13.996 8.921 -1.978 1.00 0.00 H new ATOM 0 HB THR A 8 -16.381 9.109 -2.731 1.00 0.00 H new ATOM 0 HG1 THR A 8 -17.144 7.309 -4.063 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.941 8.926 -5.159 1.00 0.00 H new ATOM 0 HG22 THR A 8 -14.609 9.715 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 8 -14.450 8.021 -4.801 1.00 0.00 H new ATOM 118 N SER A 9 -15.387 6.804 -0.048 1.00 0.00 N ATOM 119 CA SER A 9 -16.038 6.655 1.252 1.00 0.00 C ATOM 120 C SER A 9 -15.463 7.674 2.254 1.00 0.00 C ATOM 121 O SER A 9 -15.976 8.790 2.336 1.00 0.00 O ATOM 122 CB SER A 9 -15.933 5.214 1.754 1.00 0.00 C ATOM 123 OG SER A 9 -16.927 4.397 1.158 1.00 0.00 O ATOM 0 H SER A 9 -14.958 5.955 -0.416 1.00 0.00 H new ATOM 0 HA SER A 9 -17.101 6.869 1.145 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.944 4.816 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.042 5.194 2.838 1.00 0.00 H new ATOM 0 HG SER A 9 -16.840 3.480 1.492 1.00 0.00 H new ATOM 129 N PRO A 10 -14.388 7.354 3.015 1.00 0.00 N ATOM 130 CA PRO A 10 -13.802 8.312 3.951 1.00 0.00 C ATOM 131 C PRO A 10 -12.811 9.241 3.251 1.00 0.00 C ATOM 132 O PRO A 10 -12.612 10.383 3.663 1.00 0.00 O ATOM 133 CB PRO A 10 -13.076 7.409 4.940 1.00 0.00 C ATOM 134 CG PRO A 10 -12.592 6.283 4.098 1.00 0.00 C ATOM 135 CD PRO A 10 -13.640 6.075 3.028 1.00 0.00 C ATOM 0 HA PRO A 10 -14.543 8.967 4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.251 7.929 5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.743 7.061 5.729 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.624 6.517 3.655 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.460 5.380 4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.187 5.866 2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.291 5.233 3.263 1.00 0.00 H new ATOM 143 N ILE A 11 -12.204 8.733 2.177 1.00 0.00 N ATOM 144 CA ILE A 11 -11.235 9.487 1.386 1.00 0.00 C ATOM 145 C ILE A 11 -10.067 9.980 2.231 1.00 0.00 C ATOM 146 O ILE A 11 -10.261 10.666 3.234 1.00 0.00 O ATOM 147 CB ILE A 11 -11.881 10.702 0.691 1.00 0.00 C ATOM 148 CG1 ILE A 11 -13.284 10.355 0.185 1.00 0.00 C ATOM 149 CG2 ILE A 11 -11.002 11.182 -0.455 1.00 0.00 C ATOM 150 CD1 ILE A 11 -14.389 10.970 1.014 1.00 0.00 C ATOM 0 H ILE A 11 -12.371 7.788 1.833 1.00 0.00 H new ATOM 0 HA ILE A 11 -10.866 8.791 0.632 1.00 0.00 H new ATOM 0 HB ILE A 11 -11.974 11.507 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.384 10.691 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -13.403 9.272 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -11.470 12.040 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.025 11.471 -0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.881 10.379 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.356 10.684 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.314 10.614 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.294 12.056 0.998 1.00 0.00 H new ATOM 162 N SER A 12 -8.851 9.635 1.804 1.00 0.00 N ATOM 163 CA SER A 12 -7.631 10.048 2.499 1.00 0.00 C ATOM 164 C SER A 12 -7.783 11.439 3.120 1.00 0.00 C ATOM 165 O SER A 12 -7.840 12.441 2.406 1.00 0.00 O ATOM 166 CB SER A 12 -6.465 10.051 1.510 1.00 0.00 C ATOM 167 OG SER A 12 -5.431 10.923 1.931 1.00 0.00 O ATOM 0 H SER A 12 -8.685 9.066 0.974 1.00 0.00 H new ATOM 0 HA SER A 12 -7.439 9.340 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.071 9.040 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.822 10.356 0.526 1.00 0.00 H new ATOM 0 HG SER A 12 -5.587 11.818 1.563 1.00 0.00 H new ATOM 173 N ALA A 13 -7.853 11.498 4.450 1.00 0.00 N ATOM 174 CA ALA A 13 -8.003 12.774 5.144 1.00 0.00 C ATOM 175 C ALA A 13 -7.329 12.766 6.516 1.00 0.00 C ATOM 176 O ALA A 13 -7.923 12.345 7.508 1.00 0.00 O ATOM 177 CB ALA A 13 -9.478 13.122 5.284 1.00 0.00 C ATOM 0 H ALA A 13 -7.809 10.684 5.063 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.505 13.535 4.543 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.579 14.075 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.929 13.198 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.983 12.343 5.855 1.00 0.00 H new ATOM 183 N VAL A 14 -6.092 13.259 6.563 1.00 0.00 N ATOM 184 CA VAL A 14 -5.332 13.337 7.810 1.00 0.00 C ATOM 185 C VAL A 14 -5.133 11.966 8.451 1.00 0.00 C ATOM 186 O VAL A 14 -6.084 11.206 8.632 1.00 0.00 O ATOM 187 CB VAL A 14 -6.018 14.265 8.830 1.00 0.00 C ATOM 188 CG1 VAL A 14 -5.073 14.588 9.977 1.00 0.00 C ATOM 189 CG2 VAL A 14 -6.504 15.540 8.156 1.00 0.00 C ATOM 0 H VAL A 14 -5.592 13.612 5.747 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.357 13.745 7.542 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.885 13.746 9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.575 15.245 10.688 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.781 13.665 10.479 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.185 15.086 9.588 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.985 16.181 8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.656 16.065 7.717 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.219 15.288 7.373 1.00 0.00 H new ATOM 199 N THR A 15 -3.884 11.660 8.794 1.00 0.00 N ATOM 200 CA THR A 15 -3.541 10.392 9.417 1.00 0.00 C ATOM 201 C THR A 15 -2.138 10.450 10.025 1.00 0.00 C ATOM 202 O THR A 15 -1.981 10.615 11.234 1.00 0.00 O ATOM 203 CB THR A 15 -3.623 9.274 8.384 1.00 0.00 C ATOM 204 OG1 THR A 15 -4.941 9.156 7.877 1.00 0.00 O ATOM 205 CG2 THR A 15 -3.215 7.925 8.927 1.00 0.00 C ATOM 0 H THR A 15 -3.089 12.282 8.648 1.00 0.00 H new ATOM 0 HA THR A 15 -4.251 10.192 10.219 1.00 0.00 H new ATOM 0 HB THR A 15 -2.922 9.555 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.558 9.657 8.450 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.297 7.176 8.139 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.184 7.971 9.278 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.869 7.653 9.756 1.00 0.00 H new ATOM 213 N CYS A 16 -1.122 10.318 9.173 1.00 0.00 N ATOM 214 CA CYS A 16 0.268 10.360 9.615 1.00 0.00 C ATOM 215 C CYS A 16 1.019 11.469 8.866 1.00 0.00 C ATOM 216 O CYS A 16 0.401 12.225 8.117 1.00 0.00 O ATOM 217 CB CYS A 16 0.915 8.977 9.415 1.00 0.00 C ATOM 218 SG CYS A 16 1.658 8.689 7.772 1.00 0.00 S ATOM 0 H CYS A 16 -1.238 10.181 8.169 1.00 0.00 H new ATOM 0 HA CYS A 16 0.318 10.596 10.678 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.687 8.843 10.173 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.159 8.212 9.592 1.00 0.00 H new ATOM 223 N PRO A 17 2.353 11.607 9.056 1.00 0.00 N ATOM 224 CA PRO A 17 3.141 12.651 8.391 1.00 0.00 C ATOM 225 C PRO A 17 2.672 12.939 6.962 1.00 0.00 C ATOM 226 O PRO A 17 2.325 12.023 6.217 1.00 0.00 O ATOM 227 CB PRO A 17 4.542 12.053 8.402 1.00 0.00 C ATOM 228 CG PRO A 17 4.599 11.312 9.693 1.00 0.00 C ATOM 229 CD PRO A 17 3.206 10.778 9.937 1.00 0.00 C ATOM 0 HA PRO A 17 3.060 13.617 8.890 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.701 11.389 7.552 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.308 12.827 8.350 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.324 10.499 9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.912 11.969 10.505 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.133 9.720 9.685 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.917 10.877 10.983 1.00 0.00 H new ATOM 237 N PRO A 18 2.643 14.228 6.567 1.00 0.00 N ATOM 238 CA PRO A 18 2.197 14.642 5.230 1.00 0.00 C ATOM 239 C PRO A 18 3.191 14.282 4.132 1.00 0.00 C ATOM 240 O PRO A 18 4.210 13.640 4.383 1.00 0.00 O ATOM 241 CB PRO A 18 2.071 16.161 5.356 1.00 0.00 C ATOM 242 CG PRO A 18 3.040 16.529 6.422 1.00 0.00 C ATOM 243 CD PRO A 18 3.026 15.386 7.399 1.00 0.00 C ATOM 0 HA PRO A 18 1.274 14.140 4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.308 16.658 4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.056 16.454 5.624 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.038 16.679 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.753 17.462 6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.002 15.242 7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.312 15.555 8.205 1.00 0.00 H new ATOM 251 N GLY A 19 2.877 14.701 2.908 1.00 0.00 N ATOM 252 CA GLY A 19 3.740 14.416 1.777 1.00 0.00 C ATOM 253 C GLY A 19 3.200 13.294 0.913 1.00 0.00 C ATOM 254 O GLY A 19 2.095 12.803 1.143 1.00 0.00 O ATOM 0 H GLY A 19 2.038 15.234 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.853 15.316 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.733 14.148 2.138 1.00 0.00 H new ATOM 258 N GLU A 20 3.978 12.882 -0.082 1.00 0.00 N ATOM 259 CA GLU A 20 3.566 11.805 -0.975 1.00 0.00 C ATOM 260 C GLU A 20 4.274 10.508 -0.606 1.00 0.00 C ATOM 261 O GLU A 20 5.367 10.537 -0.049 1.00 0.00 O ATOM 262 CB GLU A 20 3.868 12.171 -2.429 1.00 0.00 C ATOM 263 CG GLU A 20 5.334 12.489 -2.682 1.00 0.00 C ATOM 264 CD GLU A 20 5.735 12.276 -4.128 1.00 0.00 C ATOM 265 OE1 GLU A 20 5.763 11.109 -4.571 1.00 0.00 O ATOM 266 OE2 GLU A 20 6.021 13.278 -4.817 1.00 0.00 O ATOM 0 H GLU A 20 4.895 13.276 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 20 2.491 11.661 -0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.567 11.345 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.263 13.033 -2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.531 13.524 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.954 11.862 -2.041 1.00 0.00 H new ATOM 273 N ASN A 21 3.635 9.373 -0.909 1.00 0.00 N ATOM 274 CA ASN A 21 4.183 8.052 -0.606 1.00 0.00 C ATOM 275 C ASN A 21 3.883 7.642 0.834 1.00 0.00 C ATOM 276 O ASN A 21 4.038 6.474 1.190 1.00 0.00 O ATOM 277 CB ASN A 21 5.691 7.978 -0.882 1.00 0.00 C ATOM 278 CG ASN A 21 5.993 7.618 -2.324 1.00 0.00 C ATOM 279 OD1 ASN A 21 5.134 7.104 -3.040 1.00 0.00 O ATOM 280 ND2 ASN A 21 7.219 7.887 -2.755 1.00 0.00 N ATOM 0 H ASN A 21 2.726 9.347 -1.370 1.00 0.00 H new ATOM 0 HA ASN A 21 3.689 7.347 -1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.149 8.938 -0.646 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.143 7.238 -0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.482 7.667 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.899 8.314 -2.126 1.00 0.00 H new ATOM 287 N LEU A 22 3.433 8.594 1.663 1.00 0.00 N ATOM 288 CA LEU A 22 3.098 8.287 3.056 1.00 0.00 C ATOM 289 C LEU A 22 2.220 7.043 3.106 1.00 0.00 C ATOM 290 O LEU A 22 1.703 6.606 2.078 1.00 0.00 O ATOM 291 CB LEU A 22 2.390 9.464 3.748 1.00 0.00 C ATOM 292 CG LEU A 22 1.810 10.537 2.826 1.00 0.00 C ATOM 293 CD1 LEU A 22 0.883 9.916 1.797 1.00 0.00 C ATOM 294 CD2 LEU A 22 1.071 11.589 3.635 1.00 0.00 C ATOM 0 H LEU A 22 3.295 9.569 1.396 1.00 0.00 H new ATOM 0 HA LEU A 22 4.028 8.105 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.582 9.065 4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.099 9.940 4.425 1.00 0.00 H new ATOM 0 HG LEU A 22 2.635 11.018 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.481 10.697 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.438 9.197 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.063 9.408 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.664 12.345 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.257 11.118 4.187 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.760 12.059 4.336 1.00 0.00 H new ATOM 306 N CYS A 23 2.072 6.450 4.285 1.00 0.00 N ATOM 307 CA CYS A 23 1.276 5.235 4.402 1.00 0.00 C ATOM 308 C CYS A 23 1.824 4.205 3.418 1.00 0.00 C ATOM 309 O CYS A 23 1.078 3.502 2.738 1.00 0.00 O ATOM 310 CB CYS A 23 -0.186 5.535 4.094 1.00 0.00 C ATOM 311 SG CYS A 23 -1.349 4.975 5.381 1.00 0.00 S ATOM 0 H CYS A 23 2.484 6.782 5.157 1.00 0.00 H new ATOM 0 HA CYS A 23 1.335 4.845 5.418 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.304 6.610 3.956 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.451 5.061 3.149 1.00 0.00 H new ATOM 316 N TYR A 24 3.146 4.175 3.330 1.00 0.00 N ATOM 317 CA TYR A 24 3.853 3.297 2.406 1.00 0.00 C ATOM 318 C TYR A 24 3.542 1.827 2.640 1.00 0.00 C ATOM 319 O TYR A 24 3.049 1.435 3.697 1.00 0.00 O ATOM 320 CB TYR A 24 5.366 3.549 2.478 1.00 0.00 C ATOM 321 CG TYR A 24 6.045 3.115 3.767 1.00 0.00 C ATOM 322 CD1 TYR A 24 5.321 2.768 4.901 1.00 0.00 C ATOM 323 CD2 TYR A 24 7.433 3.055 3.840 1.00 0.00 C ATOM 324 CE1 TYR A 24 5.962 2.373 6.063 1.00 0.00 C ATOM 325 CE2 TYR A 24 8.076 2.665 4.996 1.00 0.00 C ATOM 326 CZ TYR A 24 7.337 2.324 6.104 1.00 0.00 C ATOM 327 OH TYR A 24 7.974 1.934 7.260 1.00 0.00 O ATOM 0 H TYR A 24 3.760 4.759 3.897 1.00 0.00 H new ATOM 0 HA TYR A 24 3.498 3.537 1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.842 3.031 1.646 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.546 4.615 2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.242 2.807 4.876 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.020 3.320 2.973 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.385 2.104 6.935 1.00 0.00 H new ATOM 0 HE2 TYR A 24 9.155 2.628 5.031 1.00 0.00 H new ATOM 0 HH TYR A 24 8.944 1.952 7.121 1.00 0.00 H new ATOM 337 N ARG A 25 3.832 1.022 1.624 1.00 0.00 N ATOM 338 CA ARG A 25 3.591 -0.409 1.681 1.00 0.00 C ATOM 339 C ARG A 25 4.530 -1.145 0.726 1.00 0.00 C ATOM 340 O ARG A 25 4.401 -1.037 -0.494 1.00 0.00 O ATOM 341 CB ARG A 25 2.128 -0.716 1.351 1.00 0.00 C ATOM 342 CG ARG A 25 1.540 0.137 0.236 1.00 0.00 C ATOM 343 CD ARG A 25 0.080 -0.216 -0.021 1.00 0.00 C ATOM 344 NE ARG A 25 -0.232 -1.597 0.354 1.00 0.00 N ATOM 345 CZ ARG A 25 -1.316 -1.961 1.037 1.00 0.00 C ATOM 346 NH1 ARG A 25 -2.234 -1.064 1.374 1.00 0.00 N ATOM 347 NH2 ARG A 25 -1.492 -3.233 1.368 1.00 0.00 N ATOM 0 H ARG A 25 4.238 1.343 0.745 1.00 0.00 H new ATOM 0 HA ARG A 25 3.793 -0.758 2.694 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.045 -1.766 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.529 -0.578 2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.620 1.191 0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.117 -0.007 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.560 0.464 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.147 -0.068 -1.077 1.00 0.00 H new ATOM 0 HE ARG A 25 0.423 -2.327 0.074 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.113 -0.086 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.061 -1.352 1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.798 -3.931 1.100 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.321 -3.514 1.891 1.00 0.00 H new ATOM 361 N LYS A 26 5.488 -1.877 1.290 1.00 0.00 N ATOM 362 CA LYS A 26 6.461 -2.617 0.491 1.00 0.00 C ATOM 363 C LYS A 26 5.925 -3.987 0.091 1.00 0.00 C ATOM 364 O LYS A 26 5.235 -4.647 0.867 1.00 0.00 O ATOM 365 CB LYS A 26 7.775 -2.779 1.261 1.00 0.00 C ATOM 366 CG LYS A 26 7.727 -3.848 2.344 1.00 0.00 C ATOM 367 CD LYS A 26 8.814 -3.637 3.388 1.00 0.00 C ATOM 368 CE LYS A 26 9.667 -4.881 3.564 1.00 0.00 C ATOM 369 NZ LYS A 26 9.930 -5.177 4.999 1.00 0.00 N ATOM 0 H LYS A 26 5.611 -1.973 2.298 1.00 0.00 H new ATOM 0 HA LYS A 26 6.645 -2.043 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.570 -3.025 0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.037 -1.825 1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.750 -3.834 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.844 -4.832 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.446 -2.800 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.357 -3.370 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.166 -5.733 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.614 -4.748 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.515 -6.033 5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.431 -4.375 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.028 -5.329 5.493 1.00 0.00 H new ATOM 383 N MET A 27 6.256 -4.410 -1.124 1.00 0.00 N ATOM 384 CA MET A 27 5.817 -5.704 -1.629 1.00 0.00 C ATOM 385 C MET A 27 6.397 -6.837 -0.788 1.00 0.00 C ATOM 386 O MET A 27 7.583 -7.148 -0.884 1.00 0.00 O ATOM 387 CB MET A 27 6.239 -5.869 -3.090 1.00 0.00 C ATOM 388 CG MET A 27 5.077 -6.162 -4.023 1.00 0.00 C ATOM 389 SD MET A 27 5.607 -6.474 -5.716 1.00 0.00 S ATOM 390 CE MET A 27 4.520 -5.375 -6.621 1.00 0.00 C ATOM 0 H MET A 27 6.827 -3.874 -1.777 1.00 0.00 H new ATOM 0 HA MET A 27 4.730 -5.747 -1.564 1.00 0.00 H new ATOM 0 HB2 MET A 27 6.741 -4.960 -3.421 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.966 -6.678 -3.162 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.529 -7.028 -3.653 1.00 0.00 H new ATOM 0 HG3 MET A 27 4.386 -5.319 -4.012 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.728 -5.455 -7.688 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.483 -5.652 -6.432 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.687 -4.348 -6.295 1.00 0.00 H new ATOM 400 N TRP A 28 5.553 -7.453 0.033 1.00 0.00 N ATOM 401 CA TRP A 28 5.982 -8.555 0.889 1.00 0.00 C ATOM 402 C TRP A 28 7.032 -8.093 1.896 1.00 0.00 C ATOM 403 O TRP A 28 7.902 -7.284 1.574 1.00 0.00 O ATOM 404 CB TRP A 28 6.544 -9.696 0.039 1.00 0.00 C ATOM 405 CG TRP A 28 6.948 -10.894 0.844 1.00 0.00 C ATOM 406 CD1 TRP A 28 6.340 -11.366 1.971 1.00 0.00 C ATOM 407 CD2 TRP A 28 8.050 -11.770 0.583 1.00 0.00 C ATOM 408 NE1 TRP A 28 6.996 -12.483 2.428 1.00 0.00 N ATOM 409 CE2 TRP A 28 8.049 -12.752 1.593 1.00 0.00 C ATOM 410 CE3 TRP A 28 9.036 -11.822 -0.404 1.00 0.00 C ATOM 411 CZ2 TRP A 28 8.997 -13.771 1.642 1.00 0.00 C ATOM 412 CZ3 TRP A 28 9.977 -12.834 -0.356 1.00 0.00 C ATOM 413 CH2 TRP A 28 9.950 -13.797 0.661 1.00 0.00 C ATOM 0 H TRP A 28 4.567 -7.208 0.124 1.00 0.00 H new ATOM 0 HA TRP A 28 5.112 -8.911 1.440 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.795 -9.996 -0.694 1.00 0.00 H new ATOM 0 HB3 TRP A 28 7.408 -9.333 -0.518 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.470 -10.926 2.436 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.741 -13.024 3.254 1.00 0.00 H new ATOM 0 HE3 TRP A 28 9.063 -11.084 -1.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 8.980 -14.514 2.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 10.745 -12.883 -1.114 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.697 -14.577 0.671 1.00 0.00 H new ATOM 424 N CYS A 29 6.947 -8.619 3.116 1.00 0.00 N ATOM 425 CA CYS A 29 7.892 -8.267 4.170 1.00 0.00 C ATOM 426 C CYS A 29 8.981 -9.332 4.295 1.00 0.00 C ATOM 427 O CYS A 29 9.373 -9.711 5.398 1.00 0.00 O ATOM 428 CB CYS A 29 7.153 -8.072 5.507 1.00 0.00 C ATOM 429 SG CYS A 29 6.861 -9.599 6.470 1.00 0.00 S ATOM 0 H CYS A 29 6.233 -9.290 3.398 1.00 0.00 H new ATOM 0 HA CYS A 29 8.374 -7.325 3.906 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.726 -7.379 6.122 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.191 -7.600 5.306 1.00 0.00 H new ATOM 434 N ASP A 30 9.459 -9.822 3.152 1.00 0.00 N ATOM 435 CA ASP A 30 10.492 -10.856 3.127 1.00 0.00 C ATOM 436 C ASP A 30 10.086 -12.032 4.018 1.00 0.00 C ATOM 437 O ASP A 30 8.895 -12.295 4.191 1.00 0.00 O ATOM 438 CB ASP A 30 11.854 -10.276 3.546 1.00 0.00 C ATOM 439 CG ASP A 30 11.964 -10.002 5.036 1.00 0.00 C ATOM 440 OD1 ASP A 30 12.358 -10.921 5.783 1.00 0.00 O ATOM 441 OD2 ASP A 30 11.662 -8.864 5.453 1.00 0.00 O ATOM 0 H ASP A 30 9.147 -9.519 2.230 1.00 0.00 H new ATOM 0 HA ASP A 30 10.593 -11.226 2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 30 12.641 -10.971 3.253 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.028 -9.349 3.000 1.00 0.00 H new ATOM 446 N ALA A 31 11.066 -12.739 4.580 1.00 0.00 N ATOM 447 CA ALA A 31 10.788 -13.883 5.450 1.00 0.00 C ATOM 448 C ALA A 31 9.606 -13.606 6.378 1.00 0.00 C ATOM 449 O ALA A 31 9.373 -12.464 6.774 1.00 0.00 O ATOM 450 CB ALA A 31 12.024 -14.235 6.262 1.00 0.00 C ATOM 0 H ALA A 31 12.058 -12.541 4.449 1.00 0.00 H new ATOM 0 HA ALA A 31 10.522 -14.729 4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.806 -15.087 6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 31 12.842 -14.489 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.312 -13.381 6.876 1.00 0.00 H new ATOM 456 N PHE A 32 8.863 -14.657 6.717 1.00 0.00 N ATOM 457 CA PHE A 32 7.700 -14.532 7.596 1.00 0.00 C ATOM 458 C PHE A 32 6.509 -13.928 6.845 1.00 0.00 C ATOM 459 O PHE A 32 6.402 -14.073 5.627 1.00 0.00 O ATOM 460 CB PHE A 32 8.049 -13.690 8.830 1.00 0.00 C ATOM 461 CG PHE A 32 9.369 -14.052 9.447 1.00 0.00 C ATOM 462 CD1 PHE A 32 9.656 -15.367 9.777 1.00 0.00 C ATOM 463 CD2 PHE A 32 10.322 -13.079 9.698 1.00 0.00 C ATOM 464 CE1 PHE A 32 10.870 -15.704 10.345 1.00 0.00 C ATOM 465 CE2 PHE A 32 11.537 -13.409 10.265 1.00 0.00 C ATOM 466 CZ PHE A 32 11.812 -14.724 10.589 1.00 0.00 C ATOM 0 H PHE A 32 9.045 -15.608 6.396 1.00 0.00 H new ATOM 0 HA PHE A 32 7.415 -15.530 7.929 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.065 -12.637 8.549 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.263 -13.809 9.576 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.923 -16.137 9.588 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.112 -12.050 9.447 1.00 0.00 H new ATOM 0 HE1 PHE A 32 11.082 -16.732 10.598 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.272 -12.640 10.455 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.762 -14.985 11.032 1.00 0.00 H new ATOM 476 N CYS A 33 5.610 -13.266 7.575 1.00 0.00 N ATOM 477 CA CYS A 33 4.423 -12.656 6.976 1.00 0.00 C ATOM 478 C CYS A 33 3.454 -13.726 6.488 1.00 0.00 C ATOM 479 O CYS A 33 3.030 -13.715 5.330 1.00 0.00 O ATOM 480 CB CYS A 33 4.803 -11.725 5.817 1.00 0.00 C ATOM 481 SG CYS A 33 4.875 -9.960 6.264 1.00 0.00 S ATOM 0 H CYS A 33 5.682 -13.139 8.584 1.00 0.00 H new ATOM 0 HA CYS A 33 3.933 -12.062 7.748 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.774 -12.029 5.426 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.081 -11.854 5.011 1.00 0.00 H new ATOM 486 N SER A 34 3.087 -14.645 7.380 1.00 0.00 N ATOM 487 CA SER A 34 2.148 -15.708 7.032 1.00 0.00 C ATOM 488 C SER A 34 0.904 -15.117 6.376 1.00 0.00 C ATOM 489 O SER A 34 0.224 -15.776 5.588 1.00 0.00 O ATOM 490 CB SER A 34 1.756 -16.504 8.278 1.00 0.00 C ATOM 491 OG SER A 34 1.617 -17.883 7.983 1.00 0.00 O ATOM 0 H SER A 34 3.423 -14.675 8.342 1.00 0.00 H new ATOM 0 HA SER A 34 2.634 -16.382 6.326 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.512 -16.369 9.051 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.818 -16.119 8.679 1.00 0.00 H new ATOM 0 HG SER A 34 1.368 -18.368 8.797 1.00 0.00 H new ATOM 497 N SER A 35 0.625 -13.858 6.707 1.00 0.00 N ATOM 498 CA SER A 35 -0.518 -13.139 6.161 1.00 0.00 C ATOM 499 C SER A 35 -0.576 -13.267 4.642 1.00 0.00 C ATOM 500 O SER A 35 0.316 -13.845 4.024 1.00 0.00 O ATOM 501 CB SER A 35 -0.422 -11.664 6.547 1.00 0.00 C ATOM 502 OG SER A 35 -1.708 -11.095 6.723 1.00 0.00 O ATOM 0 H SER A 35 1.185 -13.311 7.360 1.00 0.00 H new ATOM 0 HA SER A 35 -1.427 -13.575 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.152 -11.563 7.468 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.118 -11.117 5.774 1.00 0.00 H new ATOM 0 HG SER A 35 -1.617 -10.151 6.971 1.00 0.00 H new ATOM 508 N ARG A 36 -1.626 -12.713 4.045 1.00 0.00 N ATOM 509 CA ARG A 36 -1.790 -12.757 2.598 1.00 0.00 C ATOM 510 C ARG A 36 -0.861 -11.752 1.925 1.00 0.00 C ATOM 511 O ARG A 36 -1.312 -10.805 1.281 1.00 0.00 O ATOM 512 CB ARG A 36 -3.245 -12.469 2.215 1.00 0.00 C ATOM 513 CG ARG A 36 -3.486 -12.449 0.714 1.00 0.00 C ATOM 514 CD ARG A 36 -4.777 -13.163 0.340 1.00 0.00 C ATOM 515 NE ARG A 36 -4.563 -14.174 -0.693 1.00 0.00 N ATOM 516 CZ ARG A 36 -3.879 -15.298 -0.499 1.00 0.00 C ATOM 517 NH1 ARG A 36 -3.338 -15.559 0.684 1.00 0.00 N ATOM 518 NH2 ARG A 36 -3.733 -16.165 -1.492 1.00 0.00 N ATOM 0 H ARG A 36 -2.375 -12.229 4.541 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.530 -13.758 2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.888 -13.224 2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.539 -11.507 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.527 -11.417 0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.647 -12.924 0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.201 -13.635 1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.506 -12.433 -0.012 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.962 -14.008 -1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.445 -14.896 1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.815 -16.423 0.826 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.145 -15.970 -2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.208 -17.027 -1.343 1.00 0.00 H new ATOM 532 N GLY A 37 0.442 -11.965 2.085 1.00 0.00 N ATOM 533 CA GLY A 37 1.417 -11.069 1.495 1.00 0.00 C ATOM 534 C GLY A 37 1.349 -11.050 -0.020 1.00 0.00 C ATOM 535 O GLY A 37 0.284 -10.839 -0.599 1.00 0.00 O ATOM 0 H GLY A 37 0.839 -12.742 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.255 -10.060 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.417 -11.370 1.806 1.00 0.00 H new ATOM 539 N LYS A 38 2.491 -11.267 -0.662 1.00 0.00 N ATOM 540 CA LYS A 38 2.561 -11.271 -2.118 1.00 0.00 C ATOM 541 C LYS A 38 2.170 -9.909 -2.690 1.00 0.00 C ATOM 542 O LYS A 38 1.847 -9.793 -3.872 1.00 0.00 O ATOM 543 CB LYS A 38 1.653 -12.364 -2.691 1.00 0.00 C ATOM 544 CG LYS A 38 2.416 -13.501 -3.353 1.00 0.00 C ATOM 545 CD LYS A 38 2.121 -13.585 -4.842 1.00 0.00 C ATOM 546 CE LYS A 38 2.610 -12.348 -5.579 1.00 0.00 C ATOM 547 NZ LYS A 38 4.053 -12.080 -5.323 1.00 0.00 N ATOM 0 H LYS A 38 3.382 -11.443 -0.197 1.00 0.00 H new ATOM 0 HA LYS A 38 3.592 -11.479 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.036 -12.770 -1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.976 -11.918 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.486 -13.358 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.150 -14.444 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.600 -14.471 -5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.048 -13.700 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.449 -12.477 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.020 -11.485 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.510 -11.770 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.145 -11.334 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.512 -12.949 -4.982 1.00 0.00 H new ATOM 561 N VAL A 39 2.204 -8.876 -1.850 1.00 0.00 N ATOM 562 CA VAL A 39 1.856 -7.531 -2.289 1.00 0.00 C ATOM 563 C VAL A 39 2.439 -6.475 -1.354 1.00 0.00 C ATOM 564 O VAL A 39 3.091 -6.799 -0.364 1.00 0.00 O ATOM 565 CB VAL A 39 0.324 -7.344 -2.397 1.00 0.00 C ATOM 566 CG1 VAL A 39 -0.270 -6.835 -1.088 1.00 0.00 C ATOM 567 CG2 VAL A 39 -0.017 -6.406 -3.548 1.00 0.00 C ATOM 0 H VAL A 39 2.468 -8.946 -0.867 1.00 0.00 H new ATOM 0 HA VAL A 39 2.290 -7.401 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.119 -8.319 -2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.348 -6.715 -1.200 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.065 -7.552 -0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.178 -5.874 -0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.098 -6.285 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.447 -5.435 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.356 -6.826 -4.482 1.00 0.00 H new ATOM 577 N VAL A 40 2.205 -5.213 -1.686 1.00 0.00 N ATOM 578 CA VAL A 40 2.710 -4.099 -0.891 1.00 0.00 C ATOM 579 C VAL A 40 2.078 -4.056 0.501 1.00 0.00 C ATOM 580 O VAL A 40 0.883 -4.312 0.657 1.00 0.00 O ATOM 581 CB VAL A 40 2.466 -2.751 -1.599 1.00 0.00 C ATOM 582 CG1 VAL A 40 3.544 -2.495 -2.642 1.00 0.00 C ATOM 583 CG2 VAL A 40 1.082 -2.715 -2.234 1.00 0.00 C ATOM 0 H VAL A 40 1.666 -4.933 -2.505 1.00 0.00 H new ATOM 0 HA VAL A 40 3.782 -4.261 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 40 2.515 -1.959 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.357 -1.540 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.520 -2.469 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.529 -3.293 -3.385 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.933 -1.755 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.997 -3.517 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.324 -2.848 -1.462 1.00 0.00 H new ATOM 593 N GLU A 41 2.889 -3.714 1.506 1.00 0.00 N ATOM 594 CA GLU A 41 2.413 -3.616 2.888 1.00 0.00 C ATOM 595 C GLU A 41 3.546 -3.183 3.829 1.00 0.00 C ATOM 596 O GLU A 41 4.566 -3.860 3.934 1.00 0.00 O ATOM 597 CB GLU A 41 1.810 -4.956 3.341 1.00 0.00 C ATOM 598 CG GLU A 41 2.814 -5.938 3.934 1.00 0.00 C ATOM 599 CD GLU A 41 3.862 -6.390 2.933 1.00 0.00 C ATOM 600 OE1 GLU A 41 3.502 -7.130 1.996 1.00 0.00 O ATOM 601 OE2 GLU A 41 5.040 -6.009 3.090 1.00 0.00 O ATOM 0 H GLU A 41 3.879 -3.500 1.388 1.00 0.00 H new ATOM 0 HA GLU A 41 1.634 -2.854 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.035 -4.758 4.081 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.323 -5.427 2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.310 -5.473 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.281 -6.810 4.313 1.00 0.00 H new ATOM 608 N LEU A 42 3.365 -2.053 4.517 1.00 0.00 N ATOM 609 CA LEU A 42 4.386 -1.560 5.442 1.00 0.00 C ATOM 610 C LEU A 42 3.779 -0.716 6.568 1.00 0.00 C ATOM 611 O LEU A 42 3.492 -1.236 7.646 1.00 0.00 O ATOM 612 CB LEU A 42 5.459 -0.760 4.697 1.00 0.00 C ATOM 613 CG LEU A 42 6.821 -1.443 4.599 1.00 0.00 C ATOM 614 CD1 LEU A 42 7.794 -0.579 3.813 1.00 0.00 C ATOM 615 CD2 LEU A 42 7.369 -1.742 5.986 1.00 0.00 C ATOM 0 H LEU A 42 2.531 -1.469 4.452 1.00 0.00 H new ATOM 0 HA LEU A 42 4.853 -2.433 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.101 -0.551 3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.586 0.201 5.196 1.00 0.00 H new ATOM 0 HG LEU A 42 6.696 -2.388 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.760 -1.081 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.406 -0.417 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.915 0.381 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.340 -2.229 5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.480 -0.811 6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.680 -2.401 6.515 1.00 0.00 H new ATOM 627 N GLY A 43 3.592 0.585 6.327 1.00 0.00 N ATOM 628 CA GLY A 43 3.031 1.443 7.357 1.00 0.00 C ATOM 629 C GLY A 43 2.831 2.874 6.893 1.00 0.00 C ATOM 630 O GLY A 43 1.832 3.182 6.250 1.00 0.00 O ATOM 0 H GLY A 43 3.816 1.052 5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.074 1.035 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.690 1.437 8.225 1.00 0.00 H new ATOM 634 N CYS A 44 3.787 3.747 7.221 1.00 0.00 N ATOM 635 CA CYS A 44 3.712 5.153 6.836 1.00 0.00 C ATOM 636 C CYS A 44 5.095 5.707 6.519 1.00 0.00 C ATOM 637 O CYS A 44 6.028 5.568 7.311 1.00 0.00 O ATOM 638 CB CYS A 44 3.059 5.985 7.946 1.00 0.00 C ATOM 639 SG CYS A 44 1.439 6.687 7.492 1.00 0.00 S ATOM 0 H CYS A 44 4.622 3.501 7.753 1.00 0.00 H new ATOM 0 HA CYS A 44 3.098 5.218 5.938 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.937 5.360 8.831 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.732 6.798 8.220 1.00 0.00 H new ATOM 644 N ALA A 45 5.220 6.340 5.357 1.00 0.00 N ATOM 645 CA ALA A 45 6.488 6.921 4.928 1.00 0.00 C ATOM 646 C ALA A 45 6.393 7.452 3.505 1.00 0.00 C ATOM 647 O ALA A 45 6.016 6.726 2.587 1.00 0.00 O ATOM 648 CB ALA A 45 7.607 5.892 5.038 1.00 0.00 C ATOM 0 H ALA A 45 4.456 6.464 4.693 1.00 0.00 H new ATOM 0 HA ALA A 45 6.716 7.759 5.586 1.00 0.00 H new ATOM 0 HB1 ALA A 45 8.546 6.340 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.699 5.564 6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.377 5.035 4.405 1.00 0.00 H new ATOM 654 N ALA A 46 6.743 8.721 3.325 1.00 0.00 N ATOM 655 CA ALA A 46 6.704 9.350 2.007 1.00 0.00 C ATOM 656 C ALA A 46 7.815 8.834 1.122 1.00 0.00 C ATOM 657 O ALA A 46 8.495 9.612 0.451 1.00 0.00 O ATOM 658 CB ALA A 46 6.786 10.863 2.148 1.00 0.00 C ATOM 0 H ALA A 46 7.058 9.336 4.075 1.00 0.00 H new ATOM 0 HA ALA A 46 5.757 9.092 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.756 11.323 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.943 11.220 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.718 11.132 2.645 1.00 0.00 H new ATOM 664 N THR A 47 7.995 7.513 1.117 1.00 0.00 N ATOM 665 CA THR A 47 9.030 6.889 0.313 1.00 0.00 C ATOM 666 C THR A 47 9.144 5.401 0.633 1.00 0.00 C ATOM 667 O THR A 47 8.745 4.958 1.709 1.00 0.00 O ATOM 668 CB THR A 47 10.349 7.613 0.563 1.00 0.00 C ATOM 669 OG1 THR A 47 11.190 7.547 -0.575 1.00 0.00 O ATOM 670 CG2 THR A 47 11.132 7.093 1.754 1.00 0.00 C ATOM 0 H THR A 47 7.434 6.859 1.663 1.00 0.00 H new ATOM 0 HA THR A 47 8.772 6.969 -0.743 1.00 0.00 H new ATOM 0 HB THR A 47 10.058 8.641 0.780 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.028 8.020 -0.390 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.055 7.663 1.859 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.533 7.201 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.371 6.041 1.601 1.00 0.00 H new ATOM 678 N CYS A 48 9.685 4.635 -0.308 1.00 0.00 N ATOM 679 CA CYS A 48 9.840 3.193 -0.119 1.00 0.00 C ATOM 680 C CYS A 48 11.017 2.653 -0.933 1.00 0.00 C ATOM 681 O CYS A 48 10.827 1.983 -1.948 1.00 0.00 O ATOM 682 CB CYS A 48 8.552 2.445 -0.506 1.00 0.00 C ATOM 683 SG CYS A 48 7.115 3.510 -0.860 1.00 0.00 S ATOM 0 H CYS A 48 10.023 4.984 -1.205 1.00 0.00 H new ATOM 0 HA CYS A 48 10.041 3.023 0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.756 1.833 -1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.289 1.764 0.303 1.00 0.00 H new ATOM 688 N PRO A 49 12.254 2.940 -0.497 1.00 0.00 N ATOM 689 CA PRO A 49 13.459 2.481 -1.187 1.00 0.00 C ATOM 690 C PRO A 49 13.807 1.034 -0.857 1.00 0.00 C ATOM 691 O PRO A 49 14.294 0.736 0.234 1.00 0.00 O ATOM 692 CB PRO A 49 14.534 3.419 -0.655 1.00 0.00 C ATOM 693 CG PRO A 49 14.086 3.754 0.727 1.00 0.00 C ATOM 694 CD PRO A 49 12.578 3.736 0.702 1.00 0.00 C ATOM 0 HA PRO A 49 13.344 2.501 -2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.513 2.939 -0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.621 4.313 -1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.471 3.031 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 49 14.458 4.733 1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.169 3.283 1.605 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.167 4.743 0.636 1.00 0.00 H new ATOM 702 N SER A 50 13.556 0.143 -1.810 1.00 0.00 N ATOM 703 CA SER A 50 13.841 -1.282 -1.637 1.00 0.00 C ATOM 704 C SER A 50 13.176 -2.102 -2.737 1.00 0.00 C ATOM 705 O SER A 50 11.957 -2.062 -2.904 1.00 0.00 O ATOM 706 CB SER A 50 13.361 -1.772 -0.266 1.00 0.00 C ATOM 707 OG SER A 50 13.275 -3.187 -0.232 1.00 0.00 O ATOM 0 H SER A 50 13.153 0.382 -2.716 1.00 0.00 H new ATOM 0 HA SER A 50 14.921 -1.415 -1.700 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.047 -1.427 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.386 -1.340 -0.043 1.00 0.00 H new ATOM 0 HG SER A 50 12.968 -3.475 0.653 1.00 0.00 H new ATOM 713 N LYS A 51 13.983 -2.848 -3.486 1.00 0.00 N ATOM 714 CA LYS A 51 13.469 -3.681 -4.570 1.00 0.00 C ATOM 715 C LYS A 51 14.602 -4.397 -5.298 1.00 0.00 C ATOM 716 O LYS A 51 15.255 -3.822 -6.169 1.00 0.00 O ATOM 717 CB LYS A 51 12.670 -2.832 -5.563 1.00 0.00 C ATOM 718 CG LYS A 51 13.293 -1.473 -5.842 1.00 0.00 C ATOM 719 CD LYS A 51 13.201 -1.105 -7.316 1.00 0.00 C ATOM 720 CE LYS A 51 14.500 -0.500 -7.822 1.00 0.00 C ATOM 721 NZ LYS A 51 15.051 0.506 -6.874 1.00 0.00 N ATOM 0 H LYS A 51 14.995 -2.893 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 51 12.812 -4.432 -4.131 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.575 -3.378 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.662 -2.687 -5.175 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.790 -0.712 -5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.338 -1.481 -5.533 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.961 -1.994 -7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.386 -0.396 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.233 -1.292 -7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.328 -0.030 -8.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.568 1.236 -7.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 14.272 0.948 -6.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.699 0.038 -6.209 1.00 0.00 H new ATOM 735 N LYS A 52 14.825 -5.657 -4.940 1.00 0.00 N ATOM 736 CA LYS A 52 15.877 -6.455 -5.565 1.00 0.00 C ATOM 737 C LYS A 52 15.405 -7.889 -5.811 1.00 0.00 C ATOM 738 O LYS A 52 15.407 -8.359 -6.950 1.00 0.00 O ATOM 739 CB LYS A 52 17.159 -6.462 -4.718 1.00 0.00 C ATOM 740 CG LYS A 52 17.156 -5.474 -3.560 1.00 0.00 C ATOM 741 CD LYS A 52 17.504 -4.068 -4.023 1.00 0.00 C ATOM 742 CE LYS A 52 18.417 -3.361 -3.033 1.00 0.00 C ATOM 743 NZ LYS A 52 17.730 -2.232 -2.346 1.00 0.00 N ATOM 0 H LYS A 52 14.293 -6.148 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 52 16.105 -5.991 -6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.312 -7.466 -4.322 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.008 -6.241 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.174 -5.469 -3.087 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.872 -5.796 -2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.990 -4.115 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.589 -3.490 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.769 -4.077 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.297 -2.986 -3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.388 -1.778 -1.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.416 -1.535 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.905 -2.593 -1.825 1.00 0.00 H new ATOM 757 N PRO A 53 14.987 -8.611 -4.752 1.00 0.00 N ATOM 758 CA PRO A 53 14.512 -9.990 -4.881 1.00 0.00 C ATOM 759 C PRO A 53 13.124 -10.057 -5.511 1.00 0.00 C ATOM 760 O PRO A 53 12.713 -9.141 -6.223 1.00 0.00 O ATOM 761 CB PRO A 53 14.467 -10.506 -3.431 1.00 0.00 C ATOM 762 CG PRO A 53 15.098 -9.439 -2.595 1.00 0.00 C ATOM 763 CD PRO A 53 14.935 -8.158 -3.357 1.00 0.00 C ATOM 0 HA PRO A 53 15.158 -10.582 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.441 -10.694 -3.115 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.007 -11.448 -3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.618 -9.375 -1.619 1.00 0.00 H new ATOM 0 HG3 PRO A 53 16.152 -9.655 -2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.991 -7.665 -3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.730 -7.447 -3.131 1.00 0.00 H new ATOM 771 N TYR A 54 12.405 -11.142 -5.241 1.00 0.00 N ATOM 772 CA TYR A 54 11.060 -11.323 -5.777 1.00 0.00 C ATOM 773 C TYR A 54 10.150 -10.163 -5.371 1.00 0.00 C ATOM 774 O TYR A 54 9.128 -9.909 -6.011 1.00 0.00 O ATOM 775 CB TYR A 54 10.466 -12.644 -5.280 1.00 0.00 C ATOM 776 CG TYR A 54 10.981 -13.870 -6.005 1.00 0.00 C ATOM 777 CD1 TYR A 54 12.216 -13.864 -6.645 1.00 0.00 C ATOM 778 CD2 TYR A 54 10.229 -15.038 -6.048 1.00 0.00 C ATOM 779 CE1 TYR A 54 12.684 -14.984 -7.305 1.00 0.00 C ATOM 780 CE2 TYR A 54 10.691 -16.162 -6.704 1.00 0.00 C ATOM 781 CZ TYR A 54 11.918 -16.131 -7.331 1.00 0.00 C ATOM 782 OH TYR A 54 12.380 -17.248 -7.988 1.00 0.00 O ATOM 0 H TYR A 54 12.731 -11.910 -4.654 1.00 0.00 H new ATOM 0 HA TYR A 54 11.130 -11.346 -6.865 1.00 0.00 H new ATOM 0 HB2 TYR A 54 10.681 -12.748 -4.216 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.382 -12.603 -5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 54 12.819 -12.969 -6.626 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.266 -15.067 -5.560 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.645 -14.962 -7.798 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.093 -17.061 -6.726 1.00 0.00 H new ATOM 0 HH TYR A 54 11.721 -17.969 -7.910 1.00 0.00 H new ATOM 792 N GLU A 55 10.526 -9.469 -4.301 1.00 0.00 N ATOM 793 CA GLU A 55 9.744 -8.342 -3.801 1.00 0.00 C ATOM 794 C GLU A 55 10.185 -7.031 -4.446 1.00 0.00 C ATOM 795 O GLU A 55 11.340 -6.876 -4.838 1.00 0.00 O ATOM 796 CB GLU A 55 9.890 -8.236 -2.284 1.00 0.00 C ATOM 797 CG GLU A 55 11.333 -8.288 -1.808 1.00 0.00 C ATOM 798 CD GLU A 55 11.483 -7.892 -0.352 1.00 0.00 C ATOM 799 OE1 GLU A 55 10.964 -8.621 0.519 1.00 0.00 O ATOM 800 OE2 GLU A 55 12.124 -6.854 -0.083 1.00 0.00 O ATOM 0 H GLU A 55 11.369 -9.667 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 55 8.700 -8.520 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.438 -7.303 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.332 -9.047 -1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.721 -9.297 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.939 -7.625 -2.425 1.00 0.00 H new ATOM 807 N GLU A 56 9.256 -6.085 -4.537 1.00 0.00 N ATOM 808 CA GLU A 56 9.546 -4.780 -5.117 1.00 0.00 C ATOM 809 C GLU A 56 8.436 -3.780 -4.809 1.00 0.00 C ATOM 810 O GLU A 56 7.313 -3.910 -5.296 1.00 0.00 O ATOM 811 CB GLU A 56 9.752 -4.892 -6.629 1.00 0.00 C ATOM 812 CG GLU A 56 8.772 -5.830 -7.313 1.00 0.00 C ATOM 813 CD GLU A 56 8.789 -5.691 -8.822 1.00 0.00 C ATOM 814 OE1 GLU A 56 8.646 -4.553 -9.315 1.00 0.00 O ATOM 815 OE2 GLU A 56 8.946 -6.720 -9.511 1.00 0.00 O ATOM 0 H GLU A 56 8.295 -6.199 -4.216 1.00 0.00 H new ATOM 0 HA GLU A 56 10.468 -4.415 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.662 -3.901 -7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.767 -5.237 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.011 -6.859 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.766 -5.630 -6.945 1.00 0.00 H new ATOM 822 N VAL A 57 8.765 -2.779 -3.995 1.00 0.00 N ATOM 823 CA VAL A 57 7.804 -1.750 -3.614 1.00 0.00 C ATOM 824 C VAL A 57 7.430 -0.876 -4.808 1.00 0.00 C ATOM 825 O VAL A 57 8.144 -0.840 -5.810 1.00 0.00 O ATOM 826 CB VAL A 57 8.362 -0.847 -2.495 1.00 0.00 C ATOM 827 CG1 VAL A 57 7.250 -0.016 -1.872 1.00 0.00 C ATOM 828 CG2 VAL A 57 9.072 -1.675 -1.434 1.00 0.00 C ATOM 0 H VAL A 57 9.692 -2.660 -3.587 1.00 0.00 H new ATOM 0 HA VAL A 57 6.917 -2.268 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 57 9.090 -0.168 -2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.664 0.614 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.793 0.612 -2.637 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.495 -0.678 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.457 -1.016 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.370 -2.384 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.899 -2.219 -1.890 1.00 0.00 H new ATOM 838 N THR A 58 6.308 -0.172 -4.691 1.00 0.00 N ATOM 839 CA THR A 58 5.839 0.707 -5.759 1.00 0.00 C ATOM 840 C THR A 58 5.391 2.060 -5.201 1.00 0.00 C ATOM 841 O THR A 58 5.647 3.104 -5.802 1.00 0.00 O ATOM 842 CB THR A 58 4.692 0.046 -6.530 1.00 0.00 C ATOM 843 OG1 THR A 58 4.352 0.813 -7.672 1.00 0.00 O ATOM 844 CG2 THR A 58 3.435 -0.132 -5.708 1.00 0.00 C ATOM 0 H THR A 58 5.706 -0.193 -3.868 1.00 0.00 H new ATOM 0 HA THR A 58 6.670 0.879 -6.443 1.00 0.00 H new ATOM 0 HB THR A 58 5.064 -0.940 -6.808 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.619 0.376 -8.153 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.666 -0.606 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.651 -0.760 -4.844 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.081 0.842 -5.369 1.00 0.00 H new ATOM 852 N CYS A 59 4.733 2.035 -4.045 1.00 0.00 N ATOM 853 CA CYS A 59 4.259 3.257 -3.396 1.00 0.00 C ATOM 854 C CYS A 59 3.107 3.898 -4.169 1.00 0.00 C ATOM 855 O CYS A 59 2.488 3.267 -5.027 1.00 0.00 O ATOM 856 CB CYS A 59 5.402 4.270 -3.242 1.00 0.00 C ATOM 857 SG CYS A 59 7.026 3.527 -2.887 1.00 0.00 S ATOM 0 H CYS A 59 4.515 1.179 -3.536 1.00 0.00 H new ATOM 0 HA CYS A 59 3.893 2.974 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 59 5.477 4.856 -4.158 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.150 4.963 -2.440 1.00 0.00 H new ATOM 862 N CYS A 60 2.831 5.161 -3.850 1.00 0.00 N ATOM 863 CA CYS A 60 1.772 5.914 -4.483 1.00 0.00 C ATOM 864 C CYS A 60 1.900 7.376 -4.100 1.00 0.00 C ATOM 865 O CYS A 60 2.532 7.713 -3.101 1.00 0.00 O ATOM 866 CB CYS A 60 0.401 5.393 -4.047 1.00 0.00 C ATOM 867 SG CYS A 60 -0.422 4.329 -5.282 1.00 0.00 S ATOM 0 H CYS A 60 3.343 5.685 -3.141 1.00 0.00 H new ATOM 0 HA CYS A 60 1.859 5.801 -5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.516 4.832 -3.120 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.245 6.243 -3.828 1.00 0.00 H new ATOM 872 N SER A 61 1.285 8.236 -4.885 1.00 0.00 N ATOM 873 CA SER A 61 1.313 9.668 -4.613 1.00 0.00 C ATOM 874 C SER A 61 0.982 9.930 -3.145 1.00 0.00 C ATOM 875 O SER A 61 1.426 10.917 -2.563 1.00 0.00 O ATOM 876 CB SER A 61 0.322 10.403 -5.515 1.00 0.00 C ATOM 877 OG SER A 61 -0.987 9.880 -5.368 1.00 0.00 O ATOM 0 H SER A 61 0.758 7.974 -5.718 1.00 0.00 H new ATOM 0 HA SER A 61 2.315 10.042 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.322 11.465 -5.271 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.637 10.315 -6.555 1.00 0.00 H new ATOM 0 HG SER A 61 -1.602 10.368 -5.954 1.00 0.00 H new ATOM 883 N THR A 62 0.197 9.026 -2.559 1.00 0.00 N ATOM 884 CA THR A 62 -0.202 9.137 -1.164 1.00 0.00 C ATOM 885 C THR A 62 -1.082 7.963 -0.745 1.00 0.00 C ATOM 886 O THR A 62 -1.491 7.150 -1.573 1.00 0.00 O ATOM 887 CB THR A 62 -0.976 10.429 -0.957 1.00 0.00 C ATOM 888 OG1 THR A 62 -1.368 10.570 0.398 1.00 0.00 O ATOM 889 CG2 THR A 62 -2.223 10.508 -1.820 1.00 0.00 C ATOM 0 H THR A 62 -0.175 8.205 -3.036 1.00 0.00 H new ATOM 0 HA THR A 62 0.701 9.132 -0.554 1.00 0.00 H new ATOM 0 HB THR A 62 -0.299 11.233 -1.246 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.234 10.132 0.535 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.737 11.451 -1.632 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.942 10.452 -2.872 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.887 9.678 -1.577 1.00 0.00 H new ATOM 897 N ASP A 63 -1.399 7.909 0.546 1.00 0.00 N ATOM 898 CA ASP A 63 -2.268 6.867 1.079 1.00 0.00 C ATOM 899 C ASP A 63 -1.708 5.478 0.821 1.00 0.00 C ATOM 900 O ASP A 63 -0.847 5.296 -0.040 1.00 0.00 O ATOM 901 CB ASP A 63 -3.655 6.976 0.438 1.00 0.00 C ATOM 902 CG ASP A 63 -3.939 8.363 -0.106 1.00 0.00 C ATOM 903 OD1 ASP A 63 -4.006 9.315 0.698 1.00 0.00 O ATOM 904 OD2 ASP A 63 -4.083 8.498 -1.338 1.00 0.00 O ATOM 0 H ASP A 63 -1.066 8.576 1.242 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.335 7.012 2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.736 6.249 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.414 6.717 1.176 1.00 0.00 H new ATOM 909 N LYS A 64 -2.230 4.490 1.549 1.00 0.00 N ATOM 910 CA LYS A 64 -1.802 3.111 1.362 1.00 0.00 C ATOM 911 C LYS A 64 -1.895 2.769 -0.105 1.00 0.00 C ATOM 912 O LYS A 64 -0.965 2.211 -0.689 1.00 0.00 O ATOM 913 CB LYS A 64 -2.673 2.154 2.164 1.00 0.00 C ATOM 914 CG LYS A 64 -1.884 1.251 3.104 1.00 0.00 C ATOM 915 CD LYS A 64 -1.285 2.031 4.262 1.00 0.00 C ATOM 916 CE LYS A 64 -0.328 1.174 5.077 1.00 0.00 C ATOM 917 NZ LYS A 64 -0.886 -0.180 5.349 1.00 0.00 N ATOM 0 H LYS A 64 -2.943 4.621 2.266 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.775 3.009 1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.391 2.731 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.246 1.534 1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.537 0.469 3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.088 0.755 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.757 2.904 3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.084 2.399 4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.617 1.076 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.109 1.673 6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.336 -0.637 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.878 -0.093 5.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.834 -0.757 4.485 1.00 0.00 H new ATOM 931 N CYS A 65 -3.018 3.144 -0.711 1.00 0.00 N ATOM 932 CA CYS A 65 -3.209 2.906 -2.126 1.00 0.00 C ATOM 933 C CYS A 65 -3.339 1.417 -2.415 1.00 0.00 C ATOM 934 O CYS A 65 -3.212 0.991 -3.562 1.00 0.00 O ATOM 935 CB CYS A 65 -2.002 3.472 -2.844 1.00 0.00 C ATOM 936 SG CYS A 65 -2.296 4.050 -4.545 1.00 0.00 S ATOM 0 H CYS A 65 -3.798 3.608 -0.245 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.127 3.385 -2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.612 4.305 -2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.225 2.708 -2.869 1.00 0.00 H new ATOM 941 N ASN A 66 -3.579 0.636 -1.358 1.00 0.00 N ATOM 942 CA ASN A 66 -3.716 -0.821 -1.462 1.00 0.00 C ATOM 943 C ASN A 66 -4.077 -1.280 -2.878 1.00 0.00 C ATOM 944 O ASN A 66 -5.253 -1.387 -3.226 1.00 0.00 O ATOM 945 CB ASN A 66 -4.773 -1.330 -0.475 1.00 0.00 C ATOM 946 CG ASN A 66 -5.884 -0.324 -0.230 1.00 0.00 C ATOM 947 OD1 ASN A 66 -5.639 0.788 0.236 1.00 0.00 O ATOM 948 ND2 ASN A 66 -7.114 -0.713 -0.543 1.00 0.00 N ATOM 0 H ASN A 66 -3.684 0.994 -0.409 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.742 -1.244 -1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.205 -2.255 -0.857 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.292 -1.571 0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.901 -0.080 -0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.272 -1.645 -0.927 1.00 0.00 H new ATOM 955 N PRO A 67 -3.060 -1.550 -3.718 1.00 0.00 N ATOM 956 CA PRO A 67 -3.256 -1.989 -5.094 1.00 0.00 C ATOM 957 C PRO A 67 -3.278 -3.511 -5.241 1.00 0.00 C ATOM 958 O PRO A 67 -3.369 -4.032 -6.353 1.00 0.00 O ATOM 959 CB PRO A 67 -2.027 -1.410 -5.783 1.00 0.00 C ATOM 960 CG PRO A 67 -0.948 -1.485 -4.750 1.00 0.00 C ATOM 961 CD PRO A 67 -1.627 -1.436 -3.397 1.00 0.00 C ATOM 0 HA PRO A 67 -4.213 -1.665 -5.503 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.765 -1.982 -6.673 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.199 -0.382 -6.103 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.372 -2.404 -4.860 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.249 -0.656 -4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.295 -2.251 -2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.407 -0.506 -2.873 1.00 0.00 H new ATOM 969 N HIS A 68 -3.186 -4.220 -4.118 1.00 0.00 N ATOM 970 CA HIS A 68 -3.186 -5.679 -4.134 1.00 0.00 C ATOM 971 C HIS A 68 -4.425 -6.257 -4.832 1.00 0.00 C ATOM 972 O HIS A 68 -4.334 -7.299 -5.484 1.00 0.00 O ATOM 973 CB HIS A 68 -3.071 -6.231 -2.706 1.00 0.00 C ATOM 974 CG HIS A 68 -4.355 -6.212 -1.934 1.00 0.00 C ATOM 975 ND1 HIS A 68 -4.639 -5.268 -0.969 1.00 0.00 N ATOM 976 CD2 HIS A 68 -5.437 -7.025 -1.991 1.00 0.00 C ATOM 977 CE1 HIS A 68 -5.837 -5.503 -0.465 1.00 0.00 C ATOM 978 NE2 HIS A 68 -6.341 -6.563 -1.069 1.00 0.00 N ATOM 0 H HIS A 68 -3.111 -3.808 -3.188 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.316 -5.992 -4.712 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.704 -7.256 -2.753 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.325 -5.650 -2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.564 -7.878 -2.641 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.321 -4.926 0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -7.256 -6.973 -0.880 1.00 0.00 H new ATOM 987 N PRO A 69 -5.605 -5.609 -4.715 1.00 0.00 N ATOM 988 CA PRO A 69 -6.832 -6.104 -5.352 1.00 0.00 C ATOM 989 C PRO A 69 -6.713 -6.156 -6.870 1.00 0.00 C ATOM 990 O PRO A 69 -7.007 -5.181 -7.561 1.00 0.00 O ATOM 991 CB PRO A 69 -7.902 -5.087 -4.932 1.00 0.00 C ATOM 992 CG PRO A 69 -7.331 -4.400 -3.740 1.00 0.00 C ATOM 993 CD PRO A 69 -5.849 -4.362 -3.968 1.00 0.00 C ATOM 0 HA PRO A 69 -7.061 -7.125 -5.047 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.110 -4.379 -5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.843 -5.581 -4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.737 -3.394 -3.635 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.573 -4.939 -2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.549 -3.483 -4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.295 -4.337 -3.029 1.00 0.00 H new ATOM 1001 N LYS A 70 -6.275 -7.302 -7.385 1.00 0.00 N ATOM 1002 CA LYS A 70 -6.113 -7.483 -8.824 1.00 0.00 C ATOM 1003 C LYS A 70 -7.300 -8.235 -9.417 1.00 0.00 C ATOM 1004 O LYS A 70 -7.582 -9.371 -9.034 1.00 0.00 O ATOM 1005 CB LYS A 70 -4.815 -8.238 -9.118 1.00 0.00 C ATOM 1006 CG LYS A 70 -4.658 -9.515 -8.308 1.00 0.00 C ATOM 1007 CD LYS A 70 -3.980 -10.609 -9.116 1.00 0.00 C ATOM 1008 CE LYS A 70 -4.117 -11.964 -8.442 1.00 0.00 C ATOM 1009 NZ LYS A 70 -5.540 -12.303 -8.162 1.00 0.00 N ATOM 0 H LYS A 70 -6.026 -8.119 -6.827 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.066 -6.497 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.780 -8.484 -10.179 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.969 -7.582 -8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.074 -9.309 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.638 -9.860 -7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.418 -10.651 -10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.924 -10.369 -9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.679 -12.732 -9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.553 -11.964 -7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.647 -13.336 -8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.826 -11.880 -7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.142 -11.930 -8.924 1.00 0.00 H new ATOM 1023 N GLN A 71 -7.990 -7.596 -10.356 1.00 0.00 N ATOM 1024 CA GLN A 71 -9.146 -8.205 -11.004 1.00 0.00 C ATOM 1025 C GLN A 71 -8.789 -8.697 -12.404 1.00 0.00 C ATOM 1026 O GLN A 71 -7.927 -8.126 -13.072 1.00 0.00 O ATOM 1027 CB GLN A 71 -10.301 -7.205 -11.079 1.00 0.00 C ATOM 1028 CG GLN A 71 -10.691 -6.626 -9.728 1.00 0.00 C ATOM 1029 CD GLN A 71 -11.739 -5.536 -9.840 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -12.938 -5.813 -9.891 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -11.290 -4.287 -9.880 1.00 0.00 N ATOM 0 H GLN A 71 -7.769 -6.656 -10.685 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.457 -9.062 -10.407 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.023 -6.390 -11.748 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.169 -7.697 -11.519 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.070 -7.425 -9.091 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.804 -6.223 -9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.288 -4.104 -9.835 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.947 -3.511 -9.956 1.00 0.00 H new ATOM 1040 N ARG A 72 -9.457 -9.759 -12.840 1.00 0.00 N ATOM 1041 CA ARG A 72 -9.211 -10.331 -14.160 1.00 0.00 C ATOM 1042 C ARG A 72 -9.988 -9.575 -15.237 1.00 0.00 C ATOM 1043 O ARG A 72 -10.993 -8.925 -14.947 1.00 0.00 O ATOM 1044 CB ARG A 72 -9.603 -11.810 -14.176 1.00 0.00 C ATOM 1045 CG ARG A 72 -8.726 -12.682 -13.293 1.00 0.00 C ATOM 1046 CD ARG A 72 -7.457 -13.107 -14.014 1.00 0.00 C ATOM 1047 NE ARG A 72 -7.740 -13.700 -15.318 1.00 0.00 N ATOM 1048 CZ ARG A 72 -8.248 -14.919 -15.484 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -8.526 -15.678 -14.430 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -8.478 -15.381 -16.705 1.00 0.00 N ATOM 0 H ARG A 72 -10.174 -10.242 -12.299 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.146 -10.240 -14.376 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.639 -11.906 -13.852 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.554 -12.179 -15.200 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.465 -12.137 -12.386 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.284 -13.566 -12.984 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.806 -12.242 -14.143 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.914 -13.825 -13.399 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.536 -13.147 -16.151 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.350 -15.327 -13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.915 -16.612 -14.562 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.266 -14.802 -17.518 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.867 -16.315 -16.832 1.00 0.00 H new ATOM 1064 N PRO A 73 -9.529 -9.649 -16.499 1.00 0.00 N ATOM 1065 CA PRO A 73 -10.187 -8.968 -17.619 1.00 0.00 C ATOM 1066 C PRO A 73 -11.545 -9.576 -17.952 1.00 0.00 C ATOM 1067 O PRO A 73 -11.646 -10.479 -18.783 1.00 0.00 O ATOM 1068 CB PRO A 73 -9.213 -9.171 -18.782 1.00 0.00 C ATOM 1069 CG PRO A 73 -8.456 -10.405 -18.431 1.00 0.00 C ATOM 1070 CD PRO A 73 -8.337 -10.401 -16.932 1.00 0.00 C ATOM 0 HA PRO A 73 -10.391 -7.921 -17.393 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.744 -9.287 -19.727 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.546 -8.316 -18.894 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.978 -11.296 -18.779 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.473 -10.407 -18.901 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.330 -11.413 -16.526 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.416 -9.920 -16.603 1.00 0.00 H new ATOM 1078 N GLY A 74 -12.588 -9.074 -17.298 1.00 0.00 N ATOM 1079 CA GLY A 74 -13.927 -9.579 -17.539 1.00 0.00 C ATOM 1080 C GLY A 74 -14.984 -8.500 -17.420 1.00 0.00 C ATOM 1081 O GLY A 74 -14.612 -7.320 -17.253 1.00 0.00 O ATOM 1082 OXT GLY A 74 -16.186 -8.833 -17.495 1.00 0.00 O ATOM 0 H GLY A 74 -12.530 -8.327 -16.606 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.972 -10.019 -18.535 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -14.145 -10.376 -16.828 1.00 0.00 H new TER 1086 GLY A 74