USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 420 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 Single : A 11 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.4!) USER MOD Single : A 14 THR OG1 : rot -150:sc= -1.01 USER MOD Single : A 17 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.7!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0367 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.118) USER MOD Single : A 37 SER OG : rot 25:sc= 0.702 USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0468) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc= -0.0184 (180deg=-0.193) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 76:sc= 1 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -10.973 -10.973 -5.482 1.00 0.00 N ATOM 2 CA GLN A 11 -9.930 -11.820 -4.844 1.00 0.00 C ATOM 3 C GLN A 11 -9.809 -11.520 -3.354 1.00 0.00 C ATOM 4 O GLN A 11 -9.988 -10.379 -2.924 1.00 0.00 O ATOM 5 CB GLN A 11 -8.595 -11.563 -5.550 1.00 0.00 C ATOM 6 CG GLN A 11 -7.878 -12.833 -5.978 1.00 0.00 C ATOM 7 CD GLN A 11 -6.396 -12.802 -5.659 1.00 0.00 C ATOM 8 OE1 GLN A 11 -5.972 -12.182 -4.684 1.00 0.00 O ATOM 9 NE2 GLN A 11 -5.601 -13.471 -6.485 1.00 0.00 N ATOM 0 HA GLN A 11 -10.210 -12.869 -4.942 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.772 -10.942 -6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.945 -10.996 -4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.335 -13.689 -5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.012 -12.978 -7.050 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.997 -13.971 -7.281 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.594 -13.485 -6.324 1.00 0.00 H new ATOM 18 N ALA A 12 -9.504 -12.549 -2.571 1.00 0.00 N ATOM 19 CA ALA A 12 -9.360 -12.394 -1.128 1.00 0.00 C ATOM 20 C ALA A 12 -8.012 -11.774 -0.774 1.00 0.00 C ATOM 21 O ALA A 12 -6.961 -12.300 -1.138 1.00 0.00 O ATOM 22 CB ALA A 12 -9.521 -13.741 -0.436 1.00 0.00 C ATOM 0 H ALA A 12 -9.352 -13.499 -2.911 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.143 -11.721 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.411 -13.612 0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.509 -14.146 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.758 -14.430 -0.799 1.00 0.00 H new ATOM 28 N CYS A 13 -8.052 -10.652 -0.062 1.00 0.00 N ATOM 29 CA CYS A 13 -6.833 -9.958 0.342 1.00 0.00 C ATOM 30 C CYS A 13 -6.747 -9.845 1.860 1.00 0.00 C ATOM 31 O CYS A 13 -7.726 -10.087 2.567 1.00 0.00 O ATOM 32 CB CYS A 13 -6.777 -8.566 -0.293 1.00 0.00 C ATOM 33 SG CYS A 13 -7.952 -7.364 0.414 1.00 0.00 S ATOM 0 H CYS A 13 -8.915 -10.204 0.247 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.981 -10.541 -0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.766 -8.172 -0.187 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.972 -8.660 -1.361 1.00 0.00 H new ATOM 38 N THR A 14 -5.571 -9.474 2.354 1.00 0.00 N ATOM 39 CA THR A 14 -5.359 -9.328 3.788 1.00 0.00 C ATOM 40 C THR A 14 -5.229 -7.856 4.169 1.00 0.00 C ATOM 41 O THR A 14 -4.291 -7.176 3.751 1.00 0.00 O ATOM 42 CB THR A 14 -4.108 -10.092 4.221 1.00 0.00 C ATOM 43 OG1 THR A 14 -3.802 -9.828 5.579 1.00 0.00 O ATOM 44 CG2 THR A 14 -2.883 -9.750 3.400 1.00 0.00 C ATOM 0 H THR A 14 -4.751 -9.269 1.783 1.00 0.00 H new ATOM 0 HA THR A 14 -6.225 -9.744 4.303 1.00 0.00 H new ATOM 0 HB THR A 14 -4.347 -11.144 4.068 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.834 -9.895 5.715 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.031 -10.327 3.760 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.068 -9.990 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.667 -8.686 3.495 1.00 0.00 H new ATOM 52 N LEU A 15 -6.176 -7.372 4.965 1.00 0.00 N ATOM 53 CA LEU A 15 -6.170 -5.982 5.405 1.00 0.00 C ATOM 54 C LEU A 15 -4.912 -5.674 6.212 1.00 0.00 C ATOM 55 O LEU A 15 -4.227 -6.585 6.677 1.00 0.00 O ATOM 56 CB LEU A 15 -7.416 -5.684 6.243 1.00 0.00 C ATOM 57 CG LEU A 15 -7.798 -6.777 7.246 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.217 -6.162 8.572 1.00 0.00 C ATOM 59 CD2 LEU A 15 -8.912 -7.647 6.685 1.00 0.00 C ATOM 0 H LEU A 15 -6.958 -7.922 5.319 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.177 -5.346 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.256 -4.753 6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.257 -5.519 5.570 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.925 -7.405 7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.485 -6.954 9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.391 -5.581 8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.077 -5.510 8.415 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.171 -8.418 7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.788 -7.031 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.576 -8.116 5.760 1.00 0.00 H new ATOM 71 N PRO A 16 -4.589 -4.381 6.391 1.00 0.00 N ATOM 72 CA PRO A 16 -3.405 -3.962 7.150 1.00 0.00 C ATOM 73 C PRO A 16 -3.328 -4.631 8.517 1.00 0.00 C ATOM 74 O PRO A 16 -2.244 -4.809 9.074 1.00 0.00 O ATOM 75 CB PRO A 16 -3.595 -2.452 7.300 1.00 0.00 C ATOM 76 CG PRO A 16 -4.437 -2.060 6.135 1.00 0.00 C ATOM 77 CD PRO A 16 -5.348 -3.227 5.871 1.00 0.00 C ATOM 0 HA PRO A 16 -2.478 -4.239 6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.084 -2.206 8.243 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.638 -1.930 7.291 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.010 -1.159 6.353 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.820 -1.842 5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.305 -3.113 6.381 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.564 -3.335 4.808 1.00 0.00 H new ATOM 85 N ASN A 17 -4.486 -5.001 9.055 1.00 0.00 N ATOM 86 CA ASN A 17 -4.551 -5.653 10.358 1.00 0.00 C ATOM 87 C ASN A 17 -4.310 -7.158 10.233 1.00 0.00 C ATOM 88 O ASN A 17 -4.020 -7.832 11.221 1.00 0.00 O ATOM 89 CB ASN A 17 -5.910 -5.396 11.012 1.00 0.00 C ATOM 90 CG ASN A 17 -5.791 -5.133 12.501 1.00 0.00 C ATOM 91 OD1 ASN A 17 -4.701 -4.882 13.015 1.00 0.00 O ATOM 92 ND2 ASN A 17 -6.916 -5.191 13.204 1.00 0.00 N ATOM 0 H ASN A 17 -5.392 -4.860 8.608 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.766 -5.231 10.985 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.386 -4.542 10.531 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.558 -6.257 10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.898 -5.024 14.210 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.798 -5.402 12.738 1.00 0.00 H new ATOM 99 N ASN A 18 -4.429 -7.678 9.013 1.00 0.00 N ATOM 100 CA ASN A 18 -4.223 -9.101 8.763 1.00 0.00 C ATOM 101 C ASN A 18 -5.319 -9.936 9.417 1.00 0.00 C ATOM 102 O ASN A 18 -5.160 -10.416 10.540 1.00 0.00 O ATOM 103 CB ASN A 18 -2.852 -9.543 9.279 1.00 0.00 C ATOM 104 CG ASN A 18 -2.205 -10.582 8.385 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.293 -10.276 7.617 1.00 0.00 O ATOM 106 ND2 ASN A 18 -2.675 -11.820 8.481 1.00 0.00 N ATOM 0 H ASN A 18 -4.667 -7.135 8.183 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.265 -9.260 7.686 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.198 -8.674 9.354 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.959 -9.949 10.285 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.279 -12.562 7.904 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.432 -12.029 9.131 1.00 0.00 H new ATOM 113 N ASP A 19 -6.430 -10.106 8.707 1.00 0.00 N ATOM 114 CA ASP A 19 -7.551 -10.886 9.220 1.00 0.00 C ATOM 115 C ASP A 19 -8.384 -11.468 8.082 1.00 0.00 C ATOM 116 O ASP A 19 -9.565 -11.769 8.258 1.00 0.00 O ATOM 117 CB ASP A 19 -8.433 -10.016 10.118 1.00 0.00 C ATOM 118 CG ASP A 19 -9.058 -10.806 11.252 1.00 0.00 C ATOM 119 OD1 ASP A 19 -9.642 -11.875 10.980 1.00 0.00 O ATOM 120 OD2 ASP A 19 -8.961 -10.355 12.412 1.00 0.00 O ATOM 0 H ASP A 19 -6.578 -9.715 7.777 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.146 -11.712 9.804 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.836 -9.202 10.531 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.221 -9.561 9.518 1.00 0.00 H new ATOM 125 N LYS A 20 -7.764 -11.630 6.915 1.00 0.00 N ATOM 126 CA LYS A 20 -8.451 -12.181 5.751 1.00 0.00 C ATOM 127 C LYS A 20 -9.603 -11.278 5.320 1.00 0.00 C ATOM 128 O LYS A 20 -10.397 -10.830 6.146 1.00 0.00 O ATOM 129 CB LYS A 20 -8.976 -13.584 6.059 1.00 0.00 C ATOM 130 CG LYS A 20 -7.951 -14.485 6.732 1.00 0.00 C ATOM 131 CD LYS A 20 -8.553 -15.243 7.904 1.00 0.00 C ATOM 132 CE LYS A 20 -8.374 -14.486 9.210 1.00 0.00 C ATOM 133 NZ LYS A 20 -7.836 -15.361 10.290 1.00 0.00 N ATOM 0 H LYS A 20 -6.787 -11.387 6.751 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.734 -12.240 4.932 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.852 -13.502 6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.304 -14.052 5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.556 -15.194 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.111 -13.884 7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.615 -15.411 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.084 -16.224 7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.698 -13.646 9.053 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.332 -14.070 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.728 -14.808 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.493 -16.149 10.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.910 -15.738 10.003 1.00 0.00 H new ATOM 147 N GLY A 21 -9.690 -11.014 4.019 1.00 0.00 N ATOM 148 CA GLY A 21 -10.748 -10.166 3.507 1.00 0.00 C ATOM 149 C GLY A 21 -10.971 -10.334 2.017 1.00 0.00 C ATOM 150 O GLY A 21 -10.651 -11.374 1.442 1.00 0.00 O ATOM 0 H GLY A 21 -9.047 -11.372 3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.674 -10.391 4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.506 -9.124 3.718 1.00 0.00 H new ATOM 154 N THR A 22 -11.529 -9.302 1.396 1.00 0.00 N ATOM 155 CA THR A 22 -11.814 -9.314 -0.034 1.00 0.00 C ATOM 156 C THR A 22 -11.286 -8.042 -0.689 1.00 0.00 C ATOM 157 O THR A 22 -11.260 -6.987 -0.066 1.00 0.00 O ATOM 158 CB THR A 22 -13.318 -9.443 -0.276 1.00 0.00 C ATOM 159 OG1 THR A 22 -13.890 -10.384 0.615 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.663 -9.878 -1.685 1.00 0.00 C ATOM 0 H THR A 22 -11.796 -8.437 1.866 1.00 0.00 H new ATOM 0 HA THR A 22 -11.313 -10.173 -0.479 1.00 0.00 H new ATOM 0 HB THR A 22 -13.723 -8.445 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.853 -10.451 0.446 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.746 -9.950 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.278 -9.147 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.214 -10.851 -1.886 1.00 0.00 H new ATOM 168 N CYS A 23 -10.856 -8.145 -1.943 1.00 0.00 N ATOM 169 CA CYS A 23 -10.324 -6.985 -2.653 1.00 0.00 C ATOM 170 C CYS A 23 -11.179 -6.649 -3.869 1.00 0.00 C ATOM 171 O CYS A 23 -11.380 -7.481 -4.756 1.00 0.00 O ATOM 172 CB CYS A 23 -8.880 -7.235 -3.093 1.00 0.00 C ATOM 173 SG CYS A 23 -8.138 -5.853 -4.022 1.00 0.00 S ATOM 0 H CYS A 23 -10.865 -9.009 -2.484 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.345 -6.139 -1.966 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.272 -7.434 -2.211 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.849 -8.132 -3.711 1.00 0.00 H new ATOM 178 N LYS A 24 -11.679 -5.419 -3.896 1.00 0.00 N ATOM 179 CA LYS A 24 -12.516 -4.948 -4.990 1.00 0.00 C ATOM 180 C LYS A 24 -12.001 -3.618 -5.523 1.00 0.00 C ATOM 181 O LYS A 24 -11.204 -2.944 -4.873 1.00 0.00 O ATOM 182 CB LYS A 24 -13.961 -4.781 -4.515 1.00 0.00 C ATOM 183 CG LYS A 24 -14.822 -6.012 -4.731 1.00 0.00 C ATOM 184 CD LYS A 24 -16.138 -5.908 -3.973 1.00 0.00 C ATOM 185 CE LYS A 24 -16.161 -6.826 -2.760 1.00 0.00 C ATOM 186 NZ LYS A 24 -17.370 -7.695 -2.746 1.00 0.00 N ATOM 0 H LYS A 24 -11.517 -4.726 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.481 -5.688 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -13.958 -4.532 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.411 -3.938 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.022 -6.136 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.280 -6.899 -4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.294 -4.878 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.963 -6.163 -4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.266 -7.448 -2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.134 -6.226 -1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.349 -8.306 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.224 -7.102 -2.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.383 -8.286 -3.602 1.00 0.00 H new ATOM 200 N SER A 25 -12.472 -3.237 -6.704 1.00 0.00 N ATOM 201 CA SER A 25 -12.066 -1.977 -7.309 1.00 0.00 C ATOM 202 C SER A 25 -12.661 -0.808 -6.533 1.00 0.00 C ATOM 203 O SER A 25 -13.272 -1.000 -5.481 1.00 0.00 O ATOM 204 CB SER A 25 -12.515 -1.921 -8.771 1.00 0.00 C ATOM 205 OG SER A 25 -13.622 -2.775 -8.999 1.00 0.00 O ATOM 0 H SER A 25 -13.133 -3.781 -7.259 1.00 0.00 H new ATOM 0 HA SER A 25 -10.979 -1.907 -7.275 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.782 -0.897 -9.033 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.688 -2.211 -9.420 1.00 0.00 H new ATOM 0 HG SER A 25 -13.890 -2.719 -9.940 1.00 0.00 H new ATOM 211 N LEU A 26 -12.485 0.400 -7.051 1.00 0.00 N ATOM 212 CA LEU A 26 -13.013 1.590 -6.394 1.00 0.00 C ATOM 213 C LEU A 26 -14.491 1.804 -6.732 1.00 0.00 C ATOM 214 O LEU A 26 -15.085 2.808 -6.335 1.00 0.00 O ATOM 215 CB LEU A 26 -12.199 2.824 -6.793 1.00 0.00 C ATOM 216 CG LEU A 26 -12.430 3.319 -8.225 1.00 0.00 C ATOM 217 CD1 LEU A 26 -13.429 4.466 -8.241 1.00 0.00 C ATOM 218 CD2 LEU A 26 -11.116 3.745 -8.862 1.00 0.00 C ATOM 0 H LEU A 26 -11.983 0.583 -7.920 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.930 1.440 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.434 3.634 -6.103 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.140 2.597 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.844 2.497 -8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.579 4.803 -9.267 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.379 4.127 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -13.046 5.291 -7.640 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.300 4.093 -9.878 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.672 4.551 -8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.432 2.897 -8.888 1.00 0.00 H new ATOM 230 N LEU A 27 -15.080 0.860 -7.465 1.00 0.00 N ATOM 231 CA LEU A 27 -16.484 0.958 -7.847 1.00 0.00 C ATOM 232 C LEU A 27 -17.189 -0.386 -7.686 1.00 0.00 C ATOM 233 O LEU A 27 -18.211 -0.642 -8.323 1.00 0.00 O ATOM 234 CB LEU A 27 -16.608 1.443 -9.293 1.00 0.00 C ATOM 235 CG LEU A 27 -15.611 0.815 -10.273 1.00 0.00 C ATOM 236 CD1 LEU A 27 -16.322 -0.127 -11.232 1.00 0.00 C ATOM 237 CD2 LEU A 27 -14.865 1.895 -11.042 1.00 0.00 C ATOM 0 H LEU A 27 -14.607 0.022 -7.804 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.964 1.680 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -17.619 1.237 -9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.479 2.525 -9.310 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.886 0.237 -9.699 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.597 -0.562 -11.919 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.809 -0.922 -10.667 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.071 0.427 -11.798 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.162 1.430 -11.733 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.577 2.501 -11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.321 2.530 -10.343 1.00 0.00 H new ATOM 249 N GLN A 28 -16.639 -1.239 -6.827 1.00 0.00 N ATOM 250 CA GLN A 28 -17.217 -2.555 -6.579 1.00 0.00 C ATOM 251 C GLN A 28 -17.721 -2.655 -5.145 1.00 0.00 C ATOM 252 O GLN A 28 -18.777 -3.231 -4.885 1.00 0.00 O ATOM 253 CB GLN A 28 -16.184 -3.650 -6.854 1.00 0.00 C ATOM 254 CG GLN A 28 -16.372 -4.340 -8.195 1.00 0.00 C ATOM 255 CD GLN A 28 -17.078 -5.675 -8.071 1.00 0.00 C ATOM 256 OE1 GLN A 28 -18.285 -5.734 -7.835 1.00 0.00 O ATOM 257 NE2 GLN A 28 -16.326 -6.757 -8.229 1.00 0.00 N ATOM 0 H GLN A 28 -15.794 -1.042 -6.291 1.00 0.00 H new ATOM 0 HA GLN A 28 -18.062 -2.693 -7.254 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.186 -3.214 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.237 -4.395 -6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.945 -3.690 -8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.398 -4.490 -8.661 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.329 -6.661 -8.423 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.745 -7.684 -8.156 1.00 0.00 H new ATOM 266 N CYS A 29 -16.957 -2.087 -4.216 1.00 0.00 N ATOM 267 CA CYS A 29 -17.329 -2.110 -2.805 1.00 0.00 C ATOM 268 C CYS A 29 -18.276 -0.961 -2.472 1.00 0.00 C ATOM 269 O CYS A 29 -17.920 0.210 -2.612 1.00 0.00 O ATOM 270 CB CYS A 29 -16.082 -2.028 -1.923 1.00 0.00 C ATOM 271 SG CYS A 29 -16.161 -3.068 -0.429 1.00 0.00 S ATOM 0 H CYS A 29 -16.079 -1.607 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 29 -17.843 -3.051 -2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.213 -2.322 -2.512 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.929 -0.991 -1.624 1.00 0.00 H new ATOM 276 N ASP A 30 -19.483 -1.302 -2.033 1.00 0.00 N ATOM 277 CA ASP A 30 -20.479 -0.297 -1.682 1.00 0.00 C ATOM 278 C ASP A 30 -19.979 0.593 -0.550 1.00 0.00 C ATOM 279 O ASP A 30 -20.206 1.803 -0.551 1.00 0.00 O ATOM 280 CB ASP A 30 -21.794 -0.970 -1.277 1.00 0.00 C ATOM 281 CG ASP A 30 -23.004 -0.275 -1.870 1.00 0.00 C ATOM 282 OD1 ASP A 30 -22.931 0.146 -3.043 1.00 0.00 O ATOM 283 OD2 ASP A 30 -24.025 -0.152 -1.161 1.00 0.00 O ATOM 0 H ASP A 30 -19.795 -2.266 -1.912 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.654 0.327 -2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.781 -2.011 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.877 -0.975 -0.190 1.00 0.00 H new ATOM 288 N VAL A 31 -19.297 -0.014 0.414 1.00 0.00 N ATOM 289 CA VAL A 31 -18.763 0.725 1.549 1.00 0.00 C ATOM 290 C VAL A 31 -17.728 1.746 1.097 1.00 0.00 C ATOM 291 O VAL A 31 -17.671 2.858 1.618 1.00 0.00 O ATOM 292 CB VAL A 31 -18.129 -0.211 2.595 1.00 0.00 C ATOM 293 CG1 VAL A 31 -19.207 -0.937 3.386 1.00 0.00 C ATOM 294 CG2 VAL A 31 -17.188 -1.206 1.929 1.00 0.00 C ATOM 0 H VAL A 31 -19.101 -1.015 0.432 1.00 0.00 H new ATOM 0 HA VAL A 31 -19.605 1.242 2.011 1.00 0.00 H new ATOM 0 HB VAL A 31 -17.546 0.396 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -18.740 -1.594 4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -19.835 -0.208 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -19.820 -1.530 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.751 -1.857 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.744 -1.808 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.394 -0.666 1.413 1.00 0.00 H new ATOM 304 N ALA A 32 -16.915 1.366 0.122 1.00 0.00 N ATOM 305 CA ALA A 32 -15.888 2.257 -0.400 1.00 0.00 C ATOM 306 C ALA A 32 -16.514 3.492 -1.035 1.00 0.00 C ATOM 307 O ALA A 32 -15.981 4.595 -0.930 1.00 0.00 O ATOM 308 CB ALA A 32 -15.014 1.526 -1.406 1.00 0.00 C ATOM 0 H ALA A 32 -16.946 0.449 -0.323 1.00 0.00 H new ATOM 0 HA ALA A 32 -15.263 2.583 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.251 2.205 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.533 0.676 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.629 1.171 -2.233 1.00 0.00 H new ATOM 314 N SER A 33 -17.648 3.295 -1.697 1.00 0.00 N ATOM 315 CA SER A 33 -18.353 4.388 -2.355 1.00 0.00 C ATOM 316 C SER A 33 -18.904 5.382 -1.338 1.00 0.00 C ATOM 317 O SER A 33 -18.872 6.592 -1.560 1.00 0.00 O ATOM 318 CB SER A 33 -19.489 3.842 -3.220 1.00 0.00 C ATOM 319 OG SER A 33 -19.757 4.702 -4.313 1.00 0.00 O ATOM 0 H SER A 33 -18.100 2.386 -1.792 1.00 0.00 H new ATOM 0 HA SER A 33 -17.639 4.912 -2.990 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.225 2.851 -3.589 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.388 3.727 -2.615 1.00 0.00 H new ATOM 0 HG SER A 33 -20.486 4.329 -4.851 1.00 0.00 H new ATOM 325 N LYS A 34 -19.411 4.866 -0.223 1.00 0.00 N ATOM 326 CA LYS A 34 -19.971 5.720 0.819 1.00 0.00 C ATOM 327 C LYS A 34 -18.890 6.599 1.443 1.00 0.00 C ATOM 328 O LYS A 34 -19.160 7.725 1.862 1.00 0.00 O ATOM 329 CB LYS A 34 -20.673 4.878 1.895 1.00 0.00 C ATOM 330 CG LYS A 34 -19.730 4.156 2.848 1.00 0.00 C ATOM 331 CD LYS A 34 -20.073 4.450 4.300 1.00 0.00 C ATOM 332 CE LYS A 34 -19.511 3.390 5.234 1.00 0.00 C ATOM 333 NZ LYS A 34 -18.875 3.990 6.439 1.00 0.00 N ATOM 0 H LYS A 34 -19.446 3.867 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.713 6.372 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -21.329 5.527 2.475 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -21.308 4.140 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -19.784 3.082 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.703 4.461 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.677 5.427 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -21.156 4.500 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -20.311 2.718 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.777 2.787 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.388 3.248 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.187 4.712 6.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.606 4.430 7.035 1.00 0.00 H new ATOM 347 N ILE A 35 -17.665 6.082 1.498 1.00 0.00 N ATOM 348 CA ILE A 35 -16.550 6.829 2.067 1.00 0.00 C ATOM 349 C ILE A 35 -16.156 7.994 1.164 1.00 0.00 C ATOM 350 O ILE A 35 -15.880 9.096 1.637 1.00 0.00 O ATOM 351 CB ILE A 35 -15.321 5.925 2.298 1.00 0.00 C ATOM 352 CG1 ILE A 35 -15.681 4.775 3.241 1.00 0.00 C ATOM 353 CG2 ILE A 35 -14.153 6.732 2.856 1.00 0.00 C ATOM 354 CD1 ILE A 35 -16.004 5.227 4.649 1.00 0.00 C ATOM 0 H ILE A 35 -17.421 5.152 1.157 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.885 7.216 3.029 1.00 0.00 H new ATOM 0 HB ILE A 35 -15.015 5.507 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.538 4.237 2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.850 4.070 3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.298 6.074 3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.884 7.518 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.442 7.181 3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.250 4.360 5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.141 5.739 5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -16.855 5.908 4.626 1.00 0.00 H new ATOM 366 N ILE A 36 -16.138 7.741 -0.138 1.00 0.00 N ATOM 367 CA ILE A 36 -15.783 8.766 -1.112 1.00 0.00 C ATOM 368 C ILE A 36 -16.773 9.925 -1.068 1.00 0.00 C ATOM 369 O ILE A 36 -16.407 11.078 -1.291 1.00 0.00 O ATOM 370 CB ILE A 36 -15.736 8.188 -2.541 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.750 7.018 -2.603 1.00 0.00 C ATOM 372 CG2 ILE A 36 -15.354 9.267 -3.545 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.302 7.435 -2.449 1.00 0.00 C ATOM 0 H ILE A 36 -16.365 6.834 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.791 9.132 -0.848 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.729 7.821 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.999 6.303 -1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.871 6.502 -3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.326 8.838 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.090 10.070 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.371 9.666 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.662 6.554 -2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.036 8.127 -3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.165 7.924 -1.485 1.00 0.00 H new ATOM 385 N SER A 37 -18.030 9.610 -0.774 1.00 0.00 N ATOM 386 CA SER A 37 -19.074 10.625 -0.695 1.00 0.00 C ATOM 387 C SER A 37 -19.086 11.291 0.679 1.00 0.00 C ATOM 388 O SER A 37 -19.515 12.437 0.821 1.00 0.00 O ATOM 389 CB SER A 37 -20.441 10.005 -0.985 1.00 0.00 C ATOM 390 OG SER A 37 -20.598 8.772 -0.304 1.00 0.00 O ATOM 0 H SER A 37 -18.350 8.660 -0.587 1.00 0.00 H new ATOM 0 HA SER A 37 -18.861 11.386 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 37 -21.228 10.695 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.552 9.848 -2.058 1.00 0.00 H new ATOM 0 HG SER A 37 -20.021 8.760 0.488 1.00 0.00 H new ATOM 396 N LYS A 38 -18.617 10.564 1.688 1.00 0.00 N ATOM 397 CA LYS A 38 -18.577 11.081 3.052 1.00 0.00 C ATOM 398 C LYS A 38 -17.695 12.322 3.143 1.00 0.00 C ATOM 399 O LYS A 38 -18.190 13.441 3.273 1.00 0.00 O ATOM 400 CB LYS A 38 -18.063 10.005 4.011 1.00 0.00 C ATOM 401 CG LYS A 38 -19.171 9.258 4.735 1.00 0.00 C ATOM 402 CD LYS A 38 -19.474 9.884 6.087 1.00 0.00 C ATOM 403 CE LYS A 38 -18.618 9.279 7.187 1.00 0.00 C ATOM 404 NZ LYS A 38 -19.088 7.920 7.571 1.00 0.00 N ATOM 0 H LYS A 38 -18.259 9.614 1.587 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.592 11.360 3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -17.459 9.290 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -17.407 10.469 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.072 9.259 4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.880 8.217 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.299 10.959 6.039 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.528 9.743 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.582 9.224 6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.636 9.930 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.604 7.618 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.115 7.941 7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.874 7.249 6.805 1.00 0.00 H new ATOM 418 N LYS A 39 -16.387 12.112 3.079 1.00 0.00 N ATOM 419 CA LYS A 39 -15.429 13.208 3.158 1.00 0.00 C ATOM 420 C LYS A 39 -14.085 12.798 2.556 1.00 0.00 C ATOM 421 O LYS A 39 -13.242 12.216 3.238 1.00 0.00 O ATOM 422 CB LYS A 39 -15.241 13.640 4.616 1.00 0.00 C ATOM 423 CG LYS A 39 -15.575 15.103 4.863 1.00 0.00 C ATOM 424 CD LYS A 39 -14.932 15.611 6.143 1.00 0.00 C ATOM 425 CE LYS A 39 -15.573 14.989 7.374 1.00 0.00 C ATOM 426 NZ LYS A 39 -16.978 15.445 7.557 1.00 0.00 N ATOM 0 H LYS A 39 -15.964 11.190 2.972 1.00 0.00 H new ATOM 0 HA LYS A 39 -15.821 14.048 2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.870 13.019 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.208 13.457 4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.233 15.703 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.656 15.225 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.866 15.382 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.025 16.696 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.552 13.903 7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.989 15.247 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.296 15.213 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.031 16.474 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.591 14.968 6.865 1.00 0.00 H new ATOM 440 N PRO A 40 -13.874 13.091 1.261 1.00 0.00 N ATOM 441 CA PRO A 40 -12.630 12.745 0.562 1.00 0.00 C ATOM 442 C PRO A 40 -11.397 13.350 1.229 1.00 0.00 C ATOM 443 O PRO A 40 -11.418 13.687 2.411 1.00 0.00 O ATOM 444 CB PRO A 40 -12.827 13.335 -0.839 1.00 0.00 C ATOM 445 CG PRO A 40 -14.303 13.458 -0.996 1.00 0.00 C ATOM 446 CD PRO A 40 -14.830 13.776 0.373 1.00 0.00 C ATOM 0 HA PRO A 40 -12.452 11.670 0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.337 14.304 -0.932 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.400 12.687 -1.605 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.557 14.245 -1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.735 12.533 -1.377 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.854 14.850 0.557 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.846 13.406 0.511 1.00 0.00 H new ATOM 454 N ARG A 41 -10.322 13.484 0.454 1.00 0.00 N ATOM 455 CA ARG A 41 -9.078 14.040 0.937 1.00 0.00 C ATOM 456 C ARG A 41 -8.034 13.962 -0.166 1.00 0.00 C ATOM 457 O ARG A 41 -8.161 13.182 -1.108 1.00 0.00 O ATOM 458 CB ARG A 41 -8.587 13.301 2.186 1.00 0.00 C ATOM 459 CG ARG A 41 -8.014 14.223 3.251 1.00 0.00 C ATOM 460 CD ARG A 41 -9.029 14.522 4.345 1.00 0.00 C ATOM 461 NE ARG A 41 -9.200 15.958 4.553 1.00 0.00 N ATOM 462 CZ ARG A 41 -9.725 16.489 5.656 1.00 0.00 C ATOM 463 NH1 ARG A 41 -10.134 15.710 6.648 1.00 0.00 N ATOM 464 NH2 ARG A 41 -9.843 17.806 5.764 1.00 0.00 N ATOM 0 H ARG A 41 -10.298 13.207 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.244 15.081 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.416 12.736 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.825 12.578 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.129 13.764 3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.692 15.156 2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.988 14.077 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.707 14.056 5.276 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.900 16.590 3.811 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.048 14.697 6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.535 16.124 7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.532 18.410 5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.245 18.215 6.608 1.00 0.00 H new ATOM 478 N THR A 42 -7.021 14.785 -0.044 1.00 0.00 N ATOM 479 CA THR A 42 -5.947 14.838 -1.026 1.00 0.00 C ATOM 480 C THR A 42 -5.007 13.632 -0.878 1.00 0.00 C ATOM 481 O THR A 42 -5.455 12.486 -0.937 1.00 0.00 O ATOM 482 CB THR A 42 -5.191 16.162 -0.894 1.00 0.00 C ATOM 483 OG1 THR A 42 -6.090 17.225 -0.627 1.00 0.00 O ATOM 484 CG2 THR A 42 -4.408 16.527 -2.135 1.00 0.00 C ATOM 0 H THR A 42 -6.911 15.437 0.732 1.00 0.00 H new ATOM 0 HA THR A 42 -6.377 14.787 -2.026 1.00 0.00 H new ATOM 0 HB THR A 42 -4.492 16.018 -0.071 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.590 18.064 -0.544 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.895 17.476 -1.976 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.674 15.749 -2.344 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.089 16.620 -2.981 1.00 0.00 H new ATOM 492 N ALA A 43 -3.708 13.880 -0.692 1.00 0.00 N ATOM 493 CA ALA A 43 -2.737 12.802 -0.547 1.00 0.00 C ATOM 494 C ALA A 43 -3.129 11.841 0.571 1.00 0.00 C ATOM 495 O ALA A 43 -2.854 10.645 0.497 1.00 0.00 O ATOM 496 CB ALA A 43 -1.352 13.372 -0.289 1.00 0.00 C ATOM 0 H ALA A 43 -3.309 14.817 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.724 12.239 -1.480 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.637 12.556 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.058 14.006 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.367 13.963 0.627 1.00 0.00 H new ATOM 502 N GLN A 44 -3.770 12.372 1.609 1.00 0.00 N ATOM 503 CA GLN A 44 -4.193 11.556 2.742 1.00 0.00 C ATOM 504 C GLN A 44 -5.145 10.455 2.296 1.00 0.00 C ATOM 505 O GLN A 44 -5.016 9.303 2.707 1.00 0.00 O ATOM 506 CB GLN A 44 -4.856 12.431 3.809 1.00 0.00 C ATOM 507 CG GLN A 44 -4.178 12.351 5.168 1.00 0.00 C ATOM 508 CD GLN A 44 -3.092 13.394 5.339 1.00 0.00 C ATOM 509 OE1 GLN A 44 -2.838 14.196 4.439 1.00 0.00 O ATOM 510 NE2 GLN A 44 -2.446 13.389 6.498 1.00 0.00 N ATOM 0 H GLN A 44 -4.007 13.361 1.688 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.308 11.087 3.171 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.853 13.467 3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.899 12.133 3.914 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.926 12.478 5.951 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.747 11.358 5.297 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.690 12.706 7.215 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.705 14.068 6.672 1.00 0.00 H new ATOM 519 N ASP A 45 -6.095 10.811 1.446 1.00 0.00 N ATOM 520 CA ASP A 45 -7.054 9.843 0.937 1.00 0.00 C ATOM 521 C ASP A 45 -6.364 8.876 -0.014 1.00 0.00 C ATOM 522 O ASP A 45 -6.689 7.691 -0.059 1.00 0.00 O ATOM 523 CB ASP A 45 -8.207 10.550 0.222 1.00 0.00 C ATOM 524 CG ASP A 45 -9.231 9.579 -0.333 1.00 0.00 C ATOM 525 OD1 ASP A 45 -10.177 9.229 0.405 1.00 0.00 O ATOM 526 OD2 ASP A 45 -9.088 9.168 -1.503 1.00 0.00 O ATOM 0 H ASP A 45 -6.223 11.760 1.095 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.462 9.284 1.780 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.697 11.232 0.917 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.808 11.156 -0.591 1.00 0.00 H new ATOM 531 N GLU A 46 -5.406 9.399 -0.774 1.00 0.00 N ATOM 532 CA GLU A 46 -4.661 8.592 -1.732 1.00 0.00 C ATOM 533 C GLU A 46 -3.794 7.555 -1.026 1.00 0.00 C ATOM 534 O GLU A 46 -3.702 6.410 -1.467 1.00 0.00 O ATOM 535 CB GLU A 46 -3.792 9.486 -2.618 1.00 0.00 C ATOM 536 CG GLU A 46 -4.564 10.171 -3.733 1.00 0.00 C ATOM 537 CD GLU A 46 -5.145 9.189 -4.730 1.00 0.00 C ATOM 538 OE1 GLU A 46 -4.410 8.276 -5.161 1.00 0.00 O ATOM 539 OE2 GLU A 46 -6.335 9.332 -5.081 1.00 0.00 O ATOM 0 H GLU A 46 -5.128 10.380 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.382 8.064 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.315 10.245 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.995 8.885 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.370 10.763 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.904 10.864 -4.254 1.00 0.00 H new ATOM 546 N LYS A 47 -3.165 7.955 0.074 1.00 0.00 N ATOM 547 CA LYS A 47 -2.318 7.039 0.827 1.00 0.00 C ATOM 548 C LYS A 47 -3.159 5.932 1.449 1.00 0.00 C ATOM 549 O LYS A 47 -2.738 4.777 1.513 1.00 0.00 O ATOM 550 CB LYS A 47 -1.540 7.786 1.915 1.00 0.00 C ATOM 551 CG LYS A 47 -2.424 8.576 2.864 1.00 0.00 C ATOM 552 CD LYS A 47 -1.640 9.090 4.059 1.00 0.00 C ATOM 553 CE LYS A 47 -1.508 8.028 5.138 1.00 0.00 C ATOM 554 NZ LYS A 47 -1.578 8.615 6.505 1.00 0.00 N ATOM 0 H LYS A 47 -3.225 8.897 0.460 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.601 6.593 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.956 7.067 2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.832 8.466 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.871 9.416 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.243 7.945 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.648 9.407 3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.137 9.969 4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.300 7.289 5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.561 7.502 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.484 7.859 7.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.807 9.302 6.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.492 9.095 6.630 1.00 0.00 H new ATOM 568 N PHE A 48 -4.353 6.295 1.902 1.00 0.00 N ATOM 569 CA PHE A 48 -5.264 5.338 2.516 1.00 0.00 C ATOM 570 C PHE A 48 -5.602 4.207 1.550 1.00 0.00 C ATOM 571 O PHE A 48 -5.684 3.044 1.948 1.00 0.00 O ATOM 572 CB PHE A 48 -6.544 6.040 2.976 1.00 0.00 C ATOM 573 CG PHE A 48 -6.752 5.994 4.462 1.00 0.00 C ATOM 574 CD1 PHE A 48 -6.209 6.968 5.281 1.00 0.00 C ATOM 575 CD2 PHE A 48 -7.491 4.973 5.039 1.00 0.00 C ATOM 576 CE1 PHE A 48 -6.398 6.928 6.651 1.00 0.00 C ATOM 577 CE2 PHE A 48 -7.685 4.927 6.406 1.00 0.00 C ATOM 578 CZ PHE A 48 -7.137 5.906 7.213 1.00 0.00 C ATOM 0 H PHE A 48 -4.713 7.248 1.855 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.766 4.907 3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.514 7.081 2.653 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.399 5.578 2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.631 7.769 4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.920 4.205 4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.969 7.694 7.279 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.264 4.127 6.843 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.287 5.872 8.282 1.00 0.00 H new ATOM 588 N LEU A 49 -5.795 4.551 0.282 1.00 0.00 N ATOM 589 CA LEU A 49 -6.121 3.549 -0.732 1.00 0.00 C ATOM 590 C LEU A 49 -4.949 2.598 -0.935 1.00 0.00 C ATOM 591 O LEU A 49 -5.128 1.383 -1.020 1.00 0.00 O ATOM 592 CB LEU A 49 -6.484 4.205 -2.070 1.00 0.00 C ATOM 593 CG LEU A 49 -7.117 5.594 -1.979 1.00 0.00 C ATOM 594 CD1 LEU A 49 -7.589 6.052 -3.351 1.00 0.00 C ATOM 595 CD2 LEU A 49 -8.276 5.596 -0.990 1.00 0.00 C ATOM 0 H LEU A 49 -5.733 5.507 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.986 2.990 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.580 4.277 -2.675 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.172 3.547 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.361 6.292 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.037 7.042 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.740 6.093 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.329 5.349 -3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.711 6.594 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.035 4.885 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.913 5.310 -0.003 1.00 0.00 H new ATOM 607 N ARG A 50 -3.752 3.164 -1.010 1.00 0.00 N ATOM 608 CA ARG A 50 -2.541 2.373 -1.205 1.00 0.00 C ATOM 609 C ARG A 50 -2.298 1.447 -0.019 1.00 0.00 C ATOM 610 O ARG A 50 -1.880 0.301 -0.187 1.00 0.00 O ATOM 611 CB ARG A 50 -1.334 3.292 -1.403 1.00 0.00 C ATOM 612 CG ARG A 50 -0.026 2.543 -1.609 1.00 0.00 C ATOM 613 CD ARG A 50 1.112 3.166 -0.813 1.00 0.00 C ATOM 614 NE ARG A 50 2.150 3.717 -1.681 1.00 0.00 N ATOM 615 CZ ARG A 50 3.273 4.271 -1.233 1.00 0.00 C ATOM 616 NH1 ARG A 50 3.508 4.351 0.071 1.00 0.00 N ATOM 617 NH2 ARG A 50 4.166 4.749 -2.090 1.00 0.00 N ATOM 0 H ARG A 50 -3.592 4.169 -0.939 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.676 1.762 -2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.515 3.935 -2.265 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.237 3.943 -0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.152 1.502 -1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.229 2.542 -2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.717 3.956 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.550 2.414 -0.157 1.00 0.00 H new ATOM 0 HE ARG A 50 2.005 3.674 -2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.825 3.986 0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.371 4.777 0.408 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.991 4.692 -3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 50 5.027 5.174 -1.745 1.00 0.00 H new ATOM 631 N GLU A 51 -2.561 1.951 1.180 1.00 0.00 N ATOM 632 CA GLU A 51 -2.369 1.171 2.397 1.00 0.00 C ATOM 633 C GLU A 51 -3.433 0.087 2.522 1.00 0.00 C ATOM 634 O GLU A 51 -3.181 -0.981 3.081 1.00 0.00 O ATOM 635 CB GLU A 51 -2.407 2.085 3.624 1.00 0.00 C ATOM 636 CG GLU A 51 -1.426 1.684 4.713 1.00 0.00 C ATOM 637 CD GLU A 51 -1.181 2.794 5.716 1.00 0.00 C ATOM 638 OE1 GLU A 51 -1.165 3.973 5.304 1.00 0.00 O ATOM 639 OE2 GLU A 51 -1.007 2.484 6.913 1.00 0.00 O ATOM 0 H GLU A 51 -2.908 2.897 1.336 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.392 0.690 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.192 3.107 3.312 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.416 2.083 4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.807 0.806 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.479 1.397 4.256 1.00 0.00 H new ATOM 646 N SER A 52 -4.623 0.367 1.999 1.00 0.00 N ATOM 647 CA SER A 52 -5.722 -0.588 2.053 1.00 0.00 C ATOM 648 C SER A 52 -5.976 -1.206 0.682 1.00 0.00 C ATOM 649 O SER A 52 -7.124 -1.360 0.263 1.00 0.00 O ATOM 650 CB SER A 52 -6.993 0.094 2.563 1.00 0.00 C ATOM 651 OG SER A 52 -6.696 1.027 3.588 1.00 0.00 O ATOM 0 H SER A 52 -4.849 1.246 1.534 1.00 0.00 H new ATOM 0 HA SER A 52 -5.444 -1.385 2.743 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.493 0.602 1.738 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.686 -0.658 2.941 1.00 0.00 H new ATOM 0 HG SER A 52 -6.313 1.837 3.192 1.00 0.00 H new ATOM 657 N ALA A 53 -4.901 -1.559 -0.012 1.00 0.00 N ATOM 658 CA ALA A 53 -5.008 -2.162 -1.335 1.00 0.00 C ATOM 659 C ALA A 53 -4.410 -3.566 -1.342 1.00 0.00 C ATOM 660 O ALA A 53 -3.517 -3.873 -0.553 1.00 0.00 O ATOM 661 CB ALA A 53 -4.321 -1.286 -2.372 1.00 0.00 C ATOM 0 H ALA A 53 -3.944 -1.438 0.320 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.065 -2.242 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.409 -1.749 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.794 -0.304 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.267 -1.177 -2.115 1.00 0.00 H new ATOM 667 N CYS A 54 -4.906 -4.414 -2.239 1.00 0.00 N ATOM 668 CA CYS A 54 -4.412 -5.785 -2.343 1.00 0.00 C ATOM 669 C CYS A 54 -3.283 -5.897 -3.365 1.00 0.00 C ATOM 670 O CYS A 54 -3.033 -6.974 -3.908 1.00 0.00 O ATOM 671 CB CYS A 54 -5.549 -6.739 -2.720 1.00 0.00 C ATOM 672 SG CYS A 54 -6.237 -6.464 -4.383 1.00 0.00 S ATOM 0 H CYS A 54 -5.645 -4.178 -2.901 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.017 -6.065 -1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.184 -7.764 -2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.350 -6.639 -1.987 1.00 0.00 H new ATOM 677 N GLY A 55 -2.600 -4.784 -3.622 1.00 0.00 N ATOM 678 CA GLY A 55 -1.503 -4.791 -4.574 1.00 0.00 C ATOM 679 C GLY A 55 -1.891 -5.386 -5.914 1.00 0.00 C ATOM 680 O GLY A 55 -2.974 -5.115 -6.435 1.00 0.00 O ATOM 0 H GLY A 55 -2.786 -3.880 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.151 -3.770 -4.723 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.670 -5.358 -4.158 1.00 0.00 H new ATOM 684 N PHE A 56 -0.999 -6.197 -6.467 1.00 0.00 N ATOM 685 CA PHE A 56 -1.232 -6.845 -7.755 1.00 0.00 C ATOM 686 C PHE A 56 -1.192 -5.830 -8.894 1.00 0.00 C ATOM 687 O PHE A 56 -0.318 -5.888 -9.758 1.00 0.00 O ATOM 688 CB PHE A 56 -2.575 -7.584 -7.754 1.00 0.00 C ATOM 689 CG PHE A 56 -2.437 -9.078 -7.682 1.00 0.00 C ATOM 690 CD1 PHE A 56 -2.301 -9.831 -8.839 1.00 0.00 C ATOM 691 CD2 PHE A 56 -2.445 -9.728 -6.460 1.00 0.00 C ATOM 692 CE1 PHE A 56 -2.174 -11.205 -8.775 1.00 0.00 C ATOM 693 CE2 PHE A 56 -2.319 -11.104 -6.390 1.00 0.00 C ATOM 694 CZ PHE A 56 -2.184 -11.842 -7.550 1.00 0.00 C ATOM 0 H PHE A 56 -0.100 -6.424 -6.041 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.433 -7.570 -7.913 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.169 -7.241 -6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.126 -7.321 -8.657 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.294 -9.338 -9.800 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.551 -9.155 -5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.067 -11.781 -9.683 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.326 -11.600 -5.431 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.086 -12.916 -7.499 1.00 0.00 H new ATOM 704 N ASP A 57 -2.144 -4.903 -8.892 1.00 0.00 N ATOM 705 CA ASP A 57 -2.213 -3.879 -9.929 1.00 0.00 C ATOM 706 C ASP A 57 -1.645 -2.554 -9.429 1.00 0.00 C ATOM 707 O ASP A 57 -1.809 -2.198 -8.262 1.00 0.00 O ATOM 708 CB ASP A 57 -3.658 -3.686 -10.390 1.00 0.00 C ATOM 709 CG ASP A 57 -3.978 -4.484 -11.639 1.00 0.00 C ATOM 710 OD1 ASP A 57 -3.456 -4.131 -12.718 1.00 0.00 O ATOM 711 OD2 ASP A 57 -4.750 -5.460 -11.539 1.00 0.00 O ATOM 0 H ASP A 57 -2.877 -4.839 -8.186 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.611 -4.214 -10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.335 -3.983 -9.589 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.837 -2.628 -10.582 1.00 0.00 H new ATOM 716 N GLY A 58 -0.977 -1.830 -10.322 1.00 0.00 N ATOM 717 CA GLY A 58 -0.395 -0.552 -9.955 1.00 0.00 C ATOM 718 C GLY A 58 -1.173 0.621 -10.518 1.00 0.00 C ATOM 719 O GLY A 58 -1.336 1.643 -9.852 1.00 0.00 O ATOM 0 H GLY A 58 -0.829 -2.106 -11.293 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.358 -0.472 -8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.633 -0.508 -10.314 1.00 0.00 H new ATOM 723 N GLN A 59 -1.653 0.475 -11.748 1.00 0.00 N ATOM 724 CA GLN A 59 -2.418 1.531 -12.400 1.00 0.00 C ATOM 725 C GLN A 59 -3.888 1.466 -11.997 1.00 0.00 C ATOM 726 O GLN A 59 -4.427 2.413 -11.423 1.00 0.00 O ATOM 727 CB GLN A 59 -2.287 1.420 -13.922 1.00 0.00 C ATOM 728 CG GLN A 59 -1.223 2.333 -14.509 1.00 0.00 C ATOM 729 CD GLN A 59 -0.868 1.970 -15.939 1.00 0.00 C ATOM 730 OE1 GLN A 59 -0.299 0.910 -16.200 1.00 0.00 O ATOM 731 NE2 GLN A 59 -1.202 2.852 -16.872 1.00 0.00 N ATOM 0 H GLN A 59 -1.526 -0.364 -12.313 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.014 2.491 -12.077 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.053 0.388 -14.184 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.248 1.655 -14.379 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.576 3.364 -14.476 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.326 2.283 -13.892 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.673 3.718 -16.610 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.988 2.664 -17.851 1.00 0.00 H new ATOM 740 N THR A 60 -4.530 0.344 -12.300 1.00 0.00 N ATOM 741 CA THR A 60 -5.937 0.154 -11.967 1.00 0.00 C ATOM 742 C THR A 60 -6.156 0.242 -10.457 1.00 0.00 C ATOM 743 O THR A 60 -5.686 -0.613 -9.706 1.00 0.00 O ATOM 744 CB THR A 60 -6.427 -1.199 -12.486 1.00 0.00 C ATOM 745 OG1 THR A 60 -6.217 -1.307 -13.882 1.00 0.00 O ATOM 746 CG2 THR A 60 -7.897 -1.444 -12.222 1.00 0.00 C ATOM 0 H THR A 60 -4.099 -0.448 -12.776 1.00 0.00 H new ATOM 0 HA THR A 60 -6.509 0.949 -12.447 1.00 0.00 H new ATOM 0 HB THR A 60 -5.847 -1.944 -11.941 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.535 -2.180 -14.194 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.179 -2.421 -12.615 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.083 -1.417 -11.148 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.489 -0.671 -12.712 1.00 0.00 H new ATOM 754 N PRO A 61 -6.872 1.280 -9.987 1.00 0.00 N ATOM 755 CA PRO A 61 -7.143 1.466 -8.557 1.00 0.00 C ATOM 756 C PRO A 61 -7.812 0.247 -7.931 1.00 0.00 C ATOM 757 O PRO A 61 -8.783 -0.285 -8.468 1.00 0.00 O ATOM 758 CB PRO A 61 -8.088 2.669 -8.519 1.00 0.00 C ATOM 759 CG PRO A 61 -7.832 3.400 -9.790 1.00 0.00 C ATOM 760 CD PRO A 61 -7.472 2.351 -10.804 1.00 0.00 C ATOM 0 HA PRO A 61 -6.225 1.614 -7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.128 2.352 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.888 3.301 -7.653 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.714 3.959 -10.103 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.023 4.121 -9.670 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.349 1.999 -11.347 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.770 2.732 -11.545 1.00 0.00 H new ATOM 768 N LYS A 62 -7.287 -0.186 -6.791 1.00 0.00 N ATOM 769 CA LYS A 62 -7.834 -1.339 -6.084 1.00 0.00 C ATOM 770 C LYS A 62 -7.893 -1.073 -4.584 1.00 0.00 C ATOM 771 O LYS A 62 -7.038 -0.379 -4.036 1.00 0.00 O ATOM 772 CB LYS A 62 -6.989 -2.584 -6.362 1.00 0.00 C ATOM 773 CG LYS A 62 -6.849 -2.906 -7.844 1.00 0.00 C ATOM 774 CD LYS A 62 -7.413 -4.281 -8.173 1.00 0.00 C ATOM 775 CE LYS A 62 -6.567 -4.993 -9.216 1.00 0.00 C ATOM 776 NZ LYS A 62 -7.312 -6.104 -9.870 1.00 0.00 N ATOM 0 H LYS A 62 -6.482 0.244 -6.335 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.847 -1.511 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.997 -2.443 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.437 -3.438 -5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.368 -2.149 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.797 -2.866 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.458 -4.884 -7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.435 -4.179 -8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.245 -4.277 -9.972 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.666 -5.387 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.701 -6.564 -10.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.598 -6.800 -9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.158 -5.725 -10.341 1.00 0.00 H new ATOM 790 N VAL A 63 -8.907 -1.623 -3.926 1.00 0.00 N ATOM 791 CA VAL A 63 -9.073 -1.436 -2.491 1.00 0.00 C ATOM 792 C VAL A 63 -9.418 -2.750 -1.797 1.00 0.00 C ATOM 793 O VAL A 63 -9.998 -3.651 -2.401 1.00 0.00 O ATOM 794 CB VAL A 63 -10.169 -0.396 -2.184 1.00 0.00 C ATOM 795 CG1 VAL A 63 -10.263 -0.137 -0.688 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.900 0.898 -2.940 1.00 0.00 C ATOM 0 H VAL A 63 -9.625 -2.201 -4.363 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.120 -1.071 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.126 -0.797 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -11.043 0.600 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.506 -1.066 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.308 0.241 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.683 1.622 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.934 1.302 -2.638 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.891 0.698 -4.011 1.00 0.00 H new ATOM 806 N CYS A 64 -9.050 -2.849 -0.523 1.00 0.00 N ATOM 807 CA CYS A 64 -9.313 -4.053 0.258 1.00 0.00 C ATOM 808 C CYS A 64 -10.524 -3.870 1.169 1.00 0.00 C ATOM 809 O CYS A 64 -10.564 -2.957 1.993 1.00 0.00 O ATOM 810 CB CYS A 64 -8.086 -4.410 1.103 1.00 0.00 C ATOM 811 SG CYS A 64 -6.955 -5.598 0.314 1.00 0.00 S ATOM 0 H CYS A 64 -8.569 -2.110 -0.010 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.527 -4.863 -0.439 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.536 -3.496 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.422 -4.822 2.054 1.00 0.00 H new ATOM 816 N CYS A 65 -11.499 -4.760 1.023 1.00 0.00 N ATOM 817 CA CYS A 65 -12.706 -4.717 1.838 1.00 0.00 C ATOM 818 C CYS A 65 -12.802 -5.974 2.702 1.00 0.00 C ATOM 819 O CYS A 65 -12.949 -7.081 2.184 1.00 0.00 O ATOM 820 CB CYS A 65 -13.943 -4.607 0.946 1.00 0.00 C ATOM 821 SG CYS A 65 -14.303 -2.916 0.371 1.00 0.00 S ATOM 0 H CYS A 65 -11.476 -5.522 0.345 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.657 -3.842 2.486 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.810 -5.253 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.807 -4.984 1.494 1.00 0.00 H new ATOM 826 N PRO A 66 -12.715 -5.826 4.037 1.00 0.00 N ATOM 827 CA PRO A 66 -12.789 -6.962 4.962 1.00 0.00 C ATOM 828 C PRO A 66 -13.999 -7.853 4.696 1.00 0.00 C ATOM 829 O PRO A 66 -15.023 -7.392 4.193 1.00 0.00 O ATOM 830 CB PRO A 66 -12.910 -6.297 6.334 1.00 0.00 C ATOM 831 CG PRO A 66 -12.268 -4.963 6.168 1.00 0.00 C ATOM 832 CD PRO A 66 -12.532 -4.545 4.747 1.00 0.00 C ATOM 0 HA PRO A 66 -11.925 -7.620 4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.953 -6.199 6.636 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.409 -6.884 7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.684 -4.241 6.870 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.197 -5.019 6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.418 -3.915 4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.700 -3.974 4.336 1.00 0.00 H new TER 840 PRO A 66