USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 479 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 1 LEU N :NH3+ -110:sc= 0.0454 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.096) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= 0.0148 (180deg=0.00137) USER MOD Single : A 29 TYR OH : rot 15:sc= -1.12 USER MOD Single : A 31 LYS NZ :NH3+ -144:sc= -0.167 (180deg=-1.5!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.555) USER MOD Single : A 52 ASN : amide:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -7.32! C(o=-7.3!,f=-2.9!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= -0.0839 (180deg=-1.19) USER MOD Single : A 64 ASN : amide:sc= -4.45 K(o=-4.4,f=-3.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.089 0.860 -0.487 1.00 0.00 N ATOM 2 CA LEU A 1 1.967 0.709 -1.642 1.00 0.00 C ATOM 3 C LEU A 1 1.441 -0.366 -2.588 1.00 0.00 C ATOM 4 O LEU A 1 0.795 -1.323 -2.161 1.00 0.00 O ATOM 5 CB LEU A 1 3.384 0.355 -1.187 1.00 0.00 C ATOM 6 CG LEU A 1 4.461 0.374 -2.272 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.448 1.701 -3.014 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.833 0.114 -1.666 1.00 0.00 C ATOM 0 H1 LEU A 1 0.594 1.773 -0.544 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.392 0.088 -0.477 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.654 0.827 0.385 1.00 0.00 H new ATOM 0 HA LEU A 1 1.990 1.658 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.676 1.051 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.363 -0.639 -0.741 1.00 0.00 H new ATOM 0 HG LEU A 1 4.244 -0.420 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 1 5.221 1.696 -3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.474 1.847 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.640 2.512 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.587 0.131 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.058 0.886 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.837 -0.862 -1.180 1.00 0.00 H new ATOM 20 N THR A 2 1.724 -0.202 -3.877 1.00 0.00 N ATOM 21 CA THR A 2 1.281 -1.158 -4.884 1.00 0.00 C ATOM 22 C THR A 2 2.435 -2.035 -5.354 1.00 0.00 C ATOM 23 O THR A 2 3.522 -1.541 -5.657 1.00 0.00 O ATOM 24 CB THR A 2 0.664 -0.445 -6.102 1.00 0.00 C ATOM 25 OG1 THR A 2 -0.477 0.319 -5.696 1.00 0.00 O ATOM 26 CG2 THR A 2 0.255 -1.451 -7.167 1.00 0.00 C ATOM 0 H THR A 2 2.258 0.584 -4.248 1.00 0.00 H new ATOM 0 HA THR A 2 0.521 -1.783 -4.414 1.00 0.00 H new ATOM 0 HB THR A 2 1.415 0.222 -6.525 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.863 0.771 -6.476 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.178 -0.925 -8.018 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.131 -2.011 -7.495 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.482 -2.140 -6.753 1.00 0.00 H new ATOM 34 N CYS A 3 2.194 -3.341 -5.414 1.00 0.00 N ATOM 35 CA CYS A 3 3.213 -4.288 -5.848 1.00 0.00 C ATOM 36 C CYS A 3 2.606 -5.373 -6.733 1.00 0.00 C ATOM 37 O CYS A 3 1.415 -5.674 -6.636 1.00 0.00 O ATOM 38 CB CYS A 3 3.895 -4.926 -4.636 1.00 0.00 C ATOM 39 SG CYS A 3 4.812 -3.747 -3.592 1.00 0.00 S ATOM 0 H CYS A 3 1.301 -3.767 -5.167 1.00 0.00 H new ATOM 0 HA CYS A 3 3.956 -3.743 -6.430 1.00 0.00 H new ATOM 0 HB2 CYS A 3 3.140 -5.423 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.582 -5.698 -4.984 1.00 0.00 H new ATOM 44 N LEU A 4 3.432 -5.957 -7.594 1.00 0.00 N ATOM 45 CA LEU A 4 2.977 -7.009 -8.497 1.00 0.00 C ATOM 46 C LEU A 4 3.212 -8.388 -7.888 1.00 0.00 C ATOM 47 O LEU A 4 4.127 -8.575 -7.085 1.00 0.00 O ATOM 48 CB LEU A 4 3.700 -6.902 -9.841 1.00 0.00 C ATOM 49 CG LEU A 4 3.534 -5.579 -10.589 1.00 0.00 C ATOM 50 CD1 LEU A 4 4.643 -4.609 -10.211 1.00 0.00 C ATOM 51 CD2 LEU A 4 3.518 -5.814 -12.092 1.00 0.00 C ATOM 0 H LEU A 4 4.420 -5.720 -7.686 1.00 0.00 H new ATOM 0 HA LEU A 4 1.906 -6.880 -8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.764 -7.070 -9.673 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.348 -7.707 -10.485 1.00 0.00 H new ATOM 0 HG LEU A 4 2.580 -5.138 -10.300 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.508 -3.673 -10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 4 4.607 -4.416 -9.139 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.609 -5.042 -10.470 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.399 -4.861 -12.608 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.456 -6.278 -12.398 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.688 -6.472 -12.349 1.00 0.00 H new ATOM 63 N ILE A 5 2.383 -9.350 -8.278 1.00 0.00 N ATOM 64 CA ILE A 5 2.503 -10.712 -7.774 1.00 0.00 C ATOM 65 C ILE A 5 1.707 -11.689 -8.632 1.00 0.00 C ATOM 66 O ILE A 5 0.581 -11.399 -9.039 1.00 0.00 O ATOM 67 CB ILE A 5 2.021 -10.817 -6.315 1.00 0.00 C ATOM 68 CG1 ILE A 5 2.000 -12.279 -5.865 1.00 0.00 C ATOM 69 CG2 ILE A 5 0.641 -10.192 -6.167 1.00 0.00 C ATOM 70 CD1 ILE A 5 1.255 -12.502 -4.568 1.00 0.00 C ATOM 0 H ILE A 5 1.621 -9.211 -8.942 1.00 0.00 H new ATOM 0 HA ILE A 5 3.561 -10.972 -7.819 1.00 0.00 H new ATOM 0 HB ILE A 5 2.717 -10.271 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.541 -12.885 -6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.026 -12.630 -5.750 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.314 -10.274 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.685 -9.141 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.066 -10.713 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.281 -13.561 -4.311 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.727 -11.924 -3.773 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.219 -12.182 -4.684 1.00 0.00 H new ATOM 82 N CYS A 6 2.297 -12.847 -8.903 1.00 0.00 N ATOM 83 CA CYS A 6 1.644 -13.869 -9.712 1.00 0.00 C ATOM 84 C CYS A 6 2.576 -15.053 -9.950 1.00 0.00 C ATOM 85 O CYS A 6 3.476 -15.008 -10.789 1.00 0.00 O ATOM 86 CB CYS A 6 1.197 -13.280 -11.052 1.00 0.00 C ATOM 87 SG CYS A 6 0.708 -14.527 -12.286 1.00 0.00 S ATOM 0 H CYS A 6 3.228 -13.102 -8.574 1.00 0.00 H new ATOM 0 HA CYS A 6 0.768 -14.223 -9.168 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.357 -12.607 -10.879 1.00 0.00 H new ATOM 0 HB3 CYS A 6 2.009 -12.678 -11.461 1.00 0.00 H new ATOM 92 N PRO A 7 2.356 -16.140 -9.196 1.00 0.00 N ATOM 93 CA PRO A 7 3.165 -17.358 -9.307 1.00 0.00 C ATOM 94 C PRO A 7 2.921 -18.098 -10.618 1.00 0.00 C ATOM 95 O PRO A 7 1.968 -18.866 -10.739 1.00 0.00 O ATOM 96 CB PRO A 7 2.696 -18.204 -8.120 1.00 0.00 C ATOM 97 CG PRO A 7 1.312 -17.730 -7.840 1.00 0.00 C ATOM 98 CD PRO A 7 1.300 -16.265 -8.177 1.00 0.00 C ATOM 0 HA PRO A 7 4.233 -17.141 -9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.709 -19.267 -8.362 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.344 -18.066 -7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.584 -18.275 -8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.048 -17.892 -6.795 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.330 -15.949 -8.562 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.511 -15.650 -7.302 1.00 0.00 H new ATOM 106 N GLU A 8 3.790 -17.861 -11.596 1.00 0.00 N ATOM 107 CA GLU A 8 3.668 -18.506 -12.898 1.00 0.00 C ATOM 108 C GLU A 8 4.816 -18.100 -13.817 1.00 0.00 C ATOM 109 O GLU A 8 5.592 -17.198 -13.498 1.00 0.00 O ATOM 110 CB GLU A 8 2.329 -18.147 -13.546 1.00 0.00 C ATOM 111 CG GLU A 8 1.315 -19.278 -13.517 1.00 0.00 C ATOM 112 CD GLU A 8 0.438 -19.307 -14.753 1.00 0.00 C ATOM 113 OE1 GLU A 8 -0.346 -18.355 -14.947 1.00 0.00 O ATOM 114 OE2 GLU A 8 0.535 -20.283 -15.527 1.00 0.00 O ATOM 0 H GLU A 8 4.585 -17.228 -11.511 1.00 0.00 H new ATOM 0 HA GLU A 8 3.712 -19.584 -12.746 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.909 -17.281 -13.035 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.503 -17.853 -14.581 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.840 -20.229 -13.426 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.686 -19.175 -12.632 1.00 0.00 H new ATOM 121 N LYS A 9 4.919 -18.772 -14.958 1.00 0.00 N ATOM 122 CA LYS A 9 5.971 -18.482 -15.925 1.00 0.00 C ATOM 123 C LYS A 9 6.030 -16.989 -16.234 1.00 0.00 C ATOM 124 O LYS A 9 6.902 -16.277 -15.738 1.00 0.00 O ATOM 125 CB LYS A 9 5.739 -19.272 -17.215 1.00 0.00 C ATOM 126 CG LYS A 9 6.344 -20.665 -17.192 1.00 0.00 C ATOM 127 CD LYS A 9 7.862 -20.613 -17.172 1.00 0.00 C ATOM 128 CE LYS A 9 8.423 -21.172 -15.873 1.00 0.00 C ATOM 129 NZ LYS A 9 8.560 -22.654 -15.921 1.00 0.00 N ATOM 0 H LYS A 9 4.286 -19.522 -15.236 1.00 0.00 H new ATOM 0 HA LYS A 9 6.924 -18.783 -15.489 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.667 -19.354 -17.393 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.160 -18.716 -18.053 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.986 -21.204 -16.315 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.010 -21.222 -18.067 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.257 -21.181 -18.014 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.193 -19.582 -17.299 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.396 -20.723 -15.675 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.770 -20.894 -15.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.945 -22.996 -15.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.627 -23.084 -16.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.203 -22.918 -16.694 1.00 0.00 H new ATOM 143 N ASP A 10 5.096 -16.523 -17.055 1.00 0.00 N ATOM 144 CA ASP A 10 5.039 -15.114 -17.429 1.00 0.00 C ATOM 145 C ASP A 10 3.677 -14.516 -17.090 1.00 0.00 C ATOM 146 O ASP A 10 2.727 -14.631 -17.865 1.00 0.00 O ATOM 147 CB ASP A 10 5.326 -14.948 -18.922 1.00 0.00 C ATOM 148 CG ASP A 10 5.344 -13.494 -19.350 1.00 0.00 C ATOM 149 OD1 ASP A 10 5.582 -12.624 -18.486 1.00 0.00 O ATOM 150 OD2 ASP A 10 5.122 -13.226 -20.549 1.00 0.00 O ATOM 0 H ASP A 10 4.367 -17.100 -17.475 1.00 0.00 H new ATOM 0 HA ASP A 10 5.801 -14.582 -16.860 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.287 -15.405 -19.157 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.570 -15.483 -19.496 1.00 0.00 H new ATOM 155 N CYS A 11 3.589 -13.879 -15.928 1.00 0.00 N ATOM 156 CA CYS A 11 2.343 -13.264 -15.485 1.00 0.00 C ATOM 157 C CYS A 11 2.574 -12.393 -14.254 1.00 0.00 C ATOM 158 O CYS A 11 3.323 -12.765 -13.351 1.00 0.00 O ATOM 159 CB CYS A 11 1.301 -14.340 -15.174 1.00 0.00 C ATOM 160 SG CYS A 11 0.019 -13.814 -13.992 1.00 0.00 S ATOM 0 H CYS A 11 4.366 -13.775 -15.275 1.00 0.00 H new ATOM 0 HA CYS A 11 1.972 -12.631 -16.292 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.820 -14.644 -16.104 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.809 -15.218 -14.776 1.00 0.00 H new ATOM 165 N GLN A 12 1.926 -11.233 -14.226 1.00 0.00 N ATOM 166 CA GLN A 12 2.061 -10.309 -13.106 1.00 0.00 C ATOM 167 C GLN A 12 0.704 -9.742 -12.702 1.00 0.00 C ATOM 168 O GLN A 12 0.098 -8.967 -13.442 1.00 0.00 O ATOM 169 CB GLN A 12 3.016 -9.171 -13.469 1.00 0.00 C ATOM 170 CG GLN A 12 2.731 -8.548 -14.826 1.00 0.00 C ATOM 171 CD GLN A 12 3.778 -7.529 -15.231 1.00 0.00 C ATOM 172 OE1 GLN A 12 4.970 -7.834 -15.286 1.00 0.00 O ATOM 173 NE2 GLN A 12 3.338 -6.310 -15.519 1.00 0.00 N ATOM 0 H GLN A 12 1.302 -10.911 -14.966 1.00 0.00 H new ATOM 0 HA GLN A 12 2.470 -10.860 -12.259 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.954 -8.398 -12.703 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.038 -9.549 -13.459 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.684 -9.334 -15.580 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.752 -8.069 -14.803 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.341 -6.100 -15.460 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.996 -5.583 -15.799 1.00 0.00 H new ATOM 182 N LYS A 13 0.233 -10.133 -11.522 1.00 0.00 N ATOM 183 CA LYS A 13 -1.052 -9.663 -11.018 1.00 0.00 C ATOM 184 C LYS A 13 -0.858 -8.616 -9.926 1.00 0.00 C ATOM 185 O LYS A 13 -0.246 -8.887 -8.893 1.00 0.00 O ATOM 186 CB LYS A 13 -1.869 -10.837 -10.474 1.00 0.00 C ATOM 187 CG LYS A 13 -3.341 -10.777 -10.845 1.00 0.00 C ATOM 188 CD LYS A 13 -4.132 -11.885 -10.170 1.00 0.00 C ATOM 189 CE LYS A 13 -5.625 -11.597 -10.193 1.00 0.00 C ATOM 190 NZ LYS A 13 -6.118 -11.335 -11.574 1.00 0.00 N ATOM 0 H LYS A 13 0.722 -10.774 -10.897 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.593 -9.204 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.446 -11.768 -10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.777 -10.861 -9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.751 -9.809 -10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.448 -10.859 -11.927 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.935 -12.832 -10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.798 -11.996 -9.139 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.165 -12.444 -9.769 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.838 -10.735 -9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.158 -11.345 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.779 -10.405 -11.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.762 -12.072 -12.215 1.00 0.00 H new ATOM 204 N VAL A 14 -1.384 -7.417 -10.161 1.00 0.00 N ATOM 205 CA VAL A 14 -1.270 -6.330 -9.197 1.00 0.00 C ATOM 206 C VAL A 14 -1.806 -6.748 -7.832 1.00 0.00 C ATOM 207 O VAL A 14 -2.712 -7.577 -7.736 1.00 0.00 O ATOM 208 CB VAL A 14 -2.028 -5.077 -9.672 1.00 0.00 C ATOM 209 CG1 VAL A 14 -1.566 -4.668 -11.063 1.00 0.00 C ATOM 210 CG2 VAL A 14 -3.529 -5.323 -9.652 1.00 0.00 C ATOM 0 H VAL A 14 -1.893 -7.175 -11.011 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.210 -6.093 -9.111 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.807 -4.259 -8.986 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.113 -3.781 -11.382 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.499 -4.448 -11.042 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.755 -5.482 -11.763 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.049 -4.427 -9.991 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.770 -6.155 -10.314 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.845 -5.564 -8.637 1.00 0.00 H new ATOM 220 N HIS A 15 -1.241 -6.168 -6.778 1.00 0.00 N ATOM 221 CA HIS A 15 -1.664 -6.479 -5.417 1.00 0.00 C ATOM 222 C HIS A 15 -1.283 -5.354 -4.459 1.00 0.00 C ATOM 223 O HIS A 15 -0.133 -4.914 -4.426 1.00 0.00 O ATOM 224 CB HIS A 15 -1.035 -7.793 -4.953 1.00 0.00 C ATOM 225 CG HIS A 15 -1.290 -8.103 -3.510 1.00 0.00 C ATOM 226 ND1 HIS A 15 -0.309 -8.038 -2.542 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.422 -8.479 -2.871 1.00 0.00 C ATOM 228 CE1 HIS A 15 -0.827 -8.362 -1.371 1.00 0.00 C ATOM 229 NE2 HIS A 15 -2.108 -8.634 -1.543 1.00 0.00 N ATOM 0 H HIS A 15 -0.490 -5.481 -6.840 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.749 -6.583 -5.415 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -1.422 -8.608 -5.565 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.041 -7.751 -5.122 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.392 -8.629 -3.322 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.294 -8.398 -0.432 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -2.758 -8.914 -0.809 1.00 0.00 H new ATOM 237 N THR A 16 -2.256 -4.890 -3.681 1.00 0.00 N ATOM 238 CA THR A 16 -2.023 -3.815 -2.724 1.00 0.00 C ATOM 239 C THR A 16 -1.407 -4.349 -1.436 1.00 0.00 C ATOM 240 O THR A 16 -2.002 -5.181 -0.750 1.00 0.00 O ATOM 241 CB THR A 16 -3.329 -3.072 -2.386 1.00 0.00 C ATOM 242 OG1 THR A 16 -4.338 -3.390 -3.351 1.00 0.00 O ATOM 243 CG2 THR A 16 -3.104 -1.568 -2.358 1.00 0.00 C ATOM 0 H THR A 16 -3.213 -5.242 -3.695 1.00 0.00 H new ATOM 0 HA THR A 16 -1.328 -3.119 -3.194 1.00 0.00 H new ATOM 0 HB THR A 16 -3.658 -3.393 -1.398 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.166 -2.915 -3.128 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.040 -1.064 -2.117 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.357 -1.326 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.753 -1.234 -3.335 1.00 0.00 H new ATOM 251 N CYS A 17 -0.212 -3.867 -1.113 1.00 0.00 N ATOM 252 CA CYS A 17 0.485 -4.295 0.094 1.00 0.00 C ATOM 253 C CYS A 17 -0.250 -3.821 1.344 1.00 0.00 C ATOM 254 O CYS A 17 -0.521 -2.631 1.504 1.00 0.00 O ATOM 255 CB CYS A 17 1.918 -3.759 0.097 1.00 0.00 C ATOM 256 SG CYS A 17 2.991 -4.514 1.361 1.00 0.00 S ATOM 0 H CYS A 17 0.294 -3.179 -1.671 1.00 0.00 H new ATOM 0 HA CYS A 17 0.511 -5.385 0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.359 -3.926 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.891 -2.681 0.255 1.00 0.00 H new ATOM 261 N ARG A 18 -0.570 -4.761 2.228 1.00 0.00 N ATOM 262 CA ARG A 18 -1.274 -4.440 3.464 1.00 0.00 C ATOM 263 C ARG A 18 -0.567 -3.317 4.217 1.00 0.00 C ATOM 264 O ARG A 18 0.610 -3.045 3.983 1.00 0.00 O ATOM 265 CB ARG A 18 -1.377 -5.680 4.354 1.00 0.00 C ATOM 266 CG ARG A 18 -0.040 -6.352 4.619 1.00 0.00 C ATOM 267 CD ARG A 18 -0.221 -7.731 5.233 1.00 0.00 C ATOM 268 NE ARG A 18 0.954 -8.576 5.039 1.00 0.00 N ATOM 269 CZ ARG A 18 1.107 -9.765 5.611 1.00 0.00 C ATOM 270 NH1 ARG A 18 0.165 -10.246 6.410 1.00 0.00 N ATOM 271 NH2 ARG A 18 2.205 -10.475 5.385 1.00 0.00 N ATOM 0 H ARG A 18 -0.353 -5.751 2.111 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.278 -4.103 3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.827 -5.397 5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.049 -6.399 3.885 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.516 -6.438 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.555 -5.730 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.422 -7.629 6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.092 -8.214 4.789 1.00 0.00 H new ATOM 0 HE ARG A 18 1.698 -8.234 4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.680 -9.703 6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.285 -11.159 6.848 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.933 -10.108 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.322 -11.388 5.825 1.00 0.00 H new ATOM 285 N ASN A 19 -1.294 -2.669 5.121 1.00 0.00 N ATOM 286 CA ASN A 19 -0.736 -1.575 5.908 1.00 0.00 C ATOM 287 C ASN A 19 0.280 -2.095 6.920 1.00 0.00 C ATOM 288 O ASN A 19 1.281 -1.438 7.202 1.00 0.00 O ATOM 289 CB ASN A 19 -1.852 -0.819 6.632 1.00 0.00 C ATOM 290 CG ASN A 19 -1.503 0.637 6.872 1.00 0.00 C ATOM 291 OD1 ASN A 19 -0.971 0.994 7.923 1.00 0.00 O ATOM 292 ND2 ASN A 19 -1.803 1.486 5.896 1.00 0.00 N ATOM 0 H ASN A 19 -2.270 -2.882 5.327 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.227 -0.894 5.226 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.768 -0.878 6.044 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.055 -1.303 7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.593 2.479 6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.244 1.146 5.041 1.00 0.00 H new ATOM 299 N GLU A 20 0.014 -3.280 7.462 1.00 0.00 N ATOM 300 CA GLU A 20 0.906 -3.888 8.443 1.00 0.00 C ATOM 301 C GLU A 20 2.341 -3.923 7.925 1.00 0.00 C ATOM 302 O GLU A 20 3.293 -3.870 8.703 1.00 0.00 O ATOM 303 CB GLU A 20 0.438 -5.305 8.780 1.00 0.00 C ATOM 304 CG GLU A 20 -0.808 -5.345 9.647 1.00 0.00 C ATOM 305 CD GLU A 20 -0.538 -4.916 11.077 1.00 0.00 C ATOM 306 OE1 GLU A 20 -0.616 -3.701 11.356 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.250 -5.795 11.916 1.00 0.00 O ATOM 0 H GLU A 20 -0.811 -3.837 7.239 1.00 0.00 H new ATOM 0 HA GLU A 20 0.880 -3.280 9.347 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.243 -5.844 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.243 -5.832 9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.568 -4.695 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.215 -6.356 9.646 1.00 0.00 H new ATOM 314 N GLU A 21 2.486 -4.014 6.607 1.00 0.00 N ATOM 315 CA GLU A 21 3.805 -4.058 5.986 1.00 0.00 C ATOM 316 C GLU A 21 4.067 -2.792 5.175 1.00 0.00 C ATOM 317 O GLU A 21 3.306 -1.827 5.246 1.00 0.00 O ATOM 318 CB GLU A 21 3.928 -5.289 5.085 1.00 0.00 C ATOM 319 CG GLU A 21 3.399 -6.564 5.720 1.00 0.00 C ATOM 320 CD GLU A 21 3.862 -6.737 7.154 1.00 0.00 C ATOM 321 OE1 GLU A 21 4.980 -6.283 7.475 1.00 0.00 O ATOM 322 OE2 GLU A 21 3.106 -7.327 7.954 1.00 0.00 O ATOM 0 H GLU A 21 1.708 -4.059 5.949 1.00 0.00 H new ATOM 0 HA GLU A 21 4.550 -4.121 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.388 -5.104 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.976 -5.432 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.309 -6.554 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.725 -7.421 5.131 1.00 0.00 H new ATOM 329 N LYS A 22 5.149 -2.804 4.404 1.00 0.00 N ATOM 330 CA LYS A 22 5.513 -1.659 3.578 1.00 0.00 C ATOM 331 C LYS A 22 6.209 -2.111 2.298 1.00 0.00 C ATOM 332 O LYS A 22 5.927 -1.600 1.213 1.00 0.00 O ATOM 333 CB LYS A 22 6.424 -0.710 4.359 1.00 0.00 C ATOM 334 CG LYS A 22 5.673 0.224 5.292 1.00 0.00 C ATOM 335 CD LYS A 22 6.625 1.091 6.098 1.00 0.00 C ATOM 336 CE LYS A 22 7.129 2.272 5.284 1.00 0.00 C ATOM 337 NZ LYS A 22 8.247 2.980 5.967 1.00 0.00 N ATOM 0 H LYS A 22 5.790 -3.595 4.334 1.00 0.00 H new ATOM 0 HA LYS A 22 4.598 -1.133 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.134 -1.298 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.005 -0.116 3.654 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.004 0.859 4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.050 -0.360 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.119 1.454 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.471 0.491 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.463 1.923 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.310 2.970 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.562 3.779 5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.921 3.335 6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.039 2.321 6.110 1.00 0.00 H new ATOM 351 N ILE A 23 7.117 -3.071 2.431 1.00 0.00 N ATOM 352 CA ILE A 23 7.851 -3.593 1.285 1.00 0.00 C ATOM 353 C ILE A 23 7.274 -4.928 0.824 1.00 0.00 C ATOM 354 O ILE A 23 6.580 -5.610 1.579 1.00 0.00 O ATOM 355 CB ILE A 23 9.345 -3.777 1.609 1.00 0.00 C ATOM 356 CG1 ILE A 23 9.522 -4.778 2.752 1.00 0.00 C ATOM 357 CG2 ILE A 23 9.978 -2.440 1.965 1.00 0.00 C ATOM 358 CD1 ILE A 23 10.898 -5.405 2.798 1.00 0.00 C ATOM 0 H ILE A 23 7.362 -3.504 3.322 1.00 0.00 H new ATOM 0 HA ILE A 23 7.749 -2.860 0.485 1.00 0.00 H new ATOM 0 HB ILE A 23 9.848 -4.171 0.726 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.329 -4.274 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.776 -5.566 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.034 -2.586 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.879 -1.755 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.475 -2.020 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.952 -6.104 3.633 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.086 -5.938 1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.649 -4.626 2.928 1.00 0.00 H new ATOM 370 N CYS A 24 7.567 -5.295 -0.418 1.00 0.00 N ATOM 371 CA CYS A 24 7.080 -6.549 -0.981 1.00 0.00 C ATOM 372 C CYS A 24 8.241 -7.432 -1.428 1.00 0.00 C ATOM 373 O CYS A 24 9.091 -7.010 -2.213 1.00 0.00 O ATOM 374 CB CYS A 24 6.149 -6.274 -2.163 1.00 0.00 C ATOM 375 SG CYS A 24 4.918 -4.968 -1.852 1.00 0.00 S ATOM 0 H CYS A 24 8.140 -4.742 -1.055 1.00 0.00 H new ATOM 0 HA CYS A 24 6.525 -7.075 -0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.750 -5.993 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 24 5.628 -7.195 -2.423 1.00 0.00 H new ATOM 380 N VAL A 25 8.271 -8.662 -0.924 1.00 0.00 N ATOM 381 CA VAL A 25 9.326 -9.606 -1.271 1.00 0.00 C ATOM 382 C VAL A 25 8.743 -10.921 -1.776 1.00 0.00 C ATOM 383 O VAL A 25 7.597 -11.259 -1.479 1.00 0.00 O ATOM 384 CB VAL A 25 10.243 -9.892 -0.067 1.00 0.00 C ATOM 385 CG1 VAL A 25 11.549 -10.522 -0.528 1.00 0.00 C ATOM 386 CG2 VAL A 25 10.505 -8.615 0.718 1.00 0.00 C ATOM 0 H VAL A 25 7.576 -9.028 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 25 9.914 -9.145 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 25 9.739 -10.599 0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.184 -10.717 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.339 -11.460 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.061 -9.841 -1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.155 -8.835 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.988 -7.883 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.560 -8.211 1.081 1.00 0.00 H new ATOM 396 N LYS A 26 9.539 -11.660 -2.540 1.00 0.00 N ATOM 397 CA LYS A 26 9.104 -12.940 -3.086 1.00 0.00 C ATOM 398 C LYS A 26 10.270 -13.920 -3.171 1.00 0.00 C ATOM 399 O LYS A 26 11.396 -13.534 -3.485 1.00 0.00 O ATOM 400 CB LYS A 26 8.487 -12.744 -4.473 1.00 0.00 C ATOM 401 CG LYS A 26 8.588 -13.971 -5.362 1.00 0.00 C ATOM 402 CD LYS A 26 7.636 -13.883 -6.543 1.00 0.00 C ATOM 403 CE LYS A 26 8.361 -13.472 -7.815 1.00 0.00 C ATOM 404 NZ LYS A 26 8.963 -14.642 -8.513 1.00 0.00 N ATOM 0 H LYS A 26 10.490 -11.394 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 26 8.351 -13.355 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.437 -12.473 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.981 -11.907 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.611 -14.076 -5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.364 -14.864 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.153 -14.848 -6.694 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.848 -13.163 -6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.663 -12.969 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.143 -12.753 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.222 -14.372 -9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.814 -14.952 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.274 -15.421 -8.543 1.00 0.00 H new ATOM 418 N ARG A 27 9.992 -15.189 -2.890 1.00 0.00 N ATOM 419 CA ARG A 27 11.018 -16.224 -2.935 1.00 0.00 C ATOM 420 C ARG A 27 10.534 -17.436 -3.724 1.00 0.00 C ATOM 421 O ARG A 27 9.474 -17.993 -3.438 1.00 0.00 O ATOM 422 CB ARG A 27 11.408 -16.648 -1.517 1.00 0.00 C ATOM 423 CG ARG A 27 11.448 -15.495 -0.527 1.00 0.00 C ATOM 424 CD ARG A 27 11.627 -15.993 0.899 1.00 0.00 C ATOM 425 NE ARG A 27 12.753 -16.915 1.020 1.00 0.00 N ATOM 426 CZ ARG A 27 13.146 -17.449 2.171 1.00 0.00 C ATOM 427 NH1 ARG A 27 12.507 -17.154 3.294 1.00 0.00 N ATOM 428 NH2 ARG A 27 14.180 -18.281 2.199 1.00 0.00 N ATOM 0 H ARG A 27 9.065 -15.525 -2.629 1.00 0.00 H new ATOM 0 HA ARG A 27 11.893 -15.811 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.699 -17.396 -1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.387 -17.125 -1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.265 -14.821 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.525 -14.919 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.782 -15.143 1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.714 -16.491 1.226 1.00 0.00 H new ATOM 0 HE ARG A 27 13.266 -17.163 0.174 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.712 -16.516 3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.811 -17.565 4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.673 -18.511 1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.481 -18.691 3.083 1.00 0.00 H new ATOM 442 N PHE A 28 11.317 -17.839 -4.719 1.00 0.00 N ATOM 443 CA PHE A 28 10.967 -18.985 -5.552 1.00 0.00 C ATOM 444 C PHE A 28 12.152 -19.935 -5.695 1.00 0.00 C ATOM 445 O PHE A 28 13.308 -19.524 -5.588 1.00 0.00 O ATOM 446 CB PHE A 28 10.504 -18.516 -6.933 1.00 0.00 C ATOM 447 CG PHE A 28 11.611 -17.949 -7.775 1.00 0.00 C ATOM 448 CD1 PHE A 28 11.924 -16.601 -7.715 1.00 0.00 C ATOM 449 CD2 PHE A 28 12.338 -18.765 -8.627 1.00 0.00 C ATOM 450 CE1 PHE A 28 12.941 -16.077 -8.490 1.00 0.00 C ATOM 451 CE2 PHE A 28 13.357 -18.246 -9.404 1.00 0.00 C ATOM 452 CZ PHE A 28 13.660 -16.900 -9.335 1.00 0.00 C ATOM 0 H PHE A 28 12.198 -17.390 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 28 10.151 -19.521 -5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.051 -19.356 -7.460 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.728 -17.760 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE A 28 11.367 -15.952 -7.055 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.106 -19.818 -8.685 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.174 -15.024 -8.435 1.00 0.00 H new ATOM 0 HE2 PHE A 28 13.916 -18.892 -10.064 1.00 0.00 H new ATOM 0 HZ PHE A 28 14.457 -16.492 -9.940 1.00 0.00 H new ATOM 462 N TYR A 29 11.857 -21.207 -5.938 1.00 0.00 N ATOM 463 CA TYR A 29 12.897 -22.217 -6.094 1.00 0.00 C ATOM 464 C TYR A 29 12.821 -22.869 -7.471 1.00 0.00 C ATOM 465 O TYR A 29 11.735 -23.146 -7.980 1.00 0.00 O ATOM 466 CB TYR A 29 12.770 -23.282 -5.004 1.00 0.00 C ATOM 467 CG TYR A 29 14.093 -23.882 -4.585 1.00 0.00 C ATOM 468 CD1 TYR A 29 14.608 -24.998 -5.232 1.00 0.00 C ATOM 469 CD2 TYR A 29 14.829 -23.330 -3.543 1.00 0.00 C ATOM 470 CE1 TYR A 29 15.817 -25.549 -4.852 1.00 0.00 C ATOM 471 CE2 TYR A 29 16.039 -23.874 -3.158 1.00 0.00 C ATOM 472 CZ TYR A 29 16.528 -24.983 -3.814 1.00 0.00 C ATOM 473 OH TYR A 29 17.733 -25.529 -3.434 1.00 0.00 O ATOM 0 H TYR A 29 10.906 -21.563 -6.031 1.00 0.00 H new ATOM 0 HA TYR A 29 13.864 -21.724 -5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 29 12.288 -22.841 -4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 29 12.116 -24.078 -5.360 1.00 0.00 H new ATOM 0 HD1 TYR A 29 14.054 -25.443 -6.046 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.449 -22.462 -3.026 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.203 -26.418 -5.365 1.00 0.00 H new ATOM 0 HE2 TYR A 29 16.599 -23.432 -2.347 1.00 0.00 H new ATOM 0 HH TYR A 29 18.049 -26.141 -4.131 1.00 0.00 H new ATOM 483 N ASP A 30 13.983 -23.113 -8.068 1.00 0.00 N ATOM 484 CA ASP A 30 14.050 -23.735 -9.385 1.00 0.00 C ATOM 485 C ASP A 30 15.083 -24.857 -9.404 1.00 0.00 C ATOM 486 O ASP A 30 16.265 -24.633 -9.143 1.00 0.00 O ATOM 487 CB ASP A 30 14.394 -22.690 -10.448 1.00 0.00 C ATOM 488 CG ASP A 30 15.702 -21.980 -10.160 1.00 0.00 C ATOM 489 OD1 ASP A 30 15.736 -21.160 -9.219 1.00 0.00 O ATOM 490 OD2 ASP A 30 16.691 -22.242 -10.877 1.00 0.00 O ATOM 0 H ASP A 30 14.891 -22.889 -7.661 1.00 0.00 H new ATOM 0 HA ASP A 30 13.072 -24.162 -9.609 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.454 -23.174 -11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 30 13.590 -21.956 -10.505 1.00 0.00 H new ATOM 495 N LYS A 31 14.629 -26.067 -9.713 1.00 0.00 N ATOM 496 CA LYS A 31 15.512 -27.226 -9.767 1.00 0.00 C ATOM 497 C LYS A 31 16.048 -27.437 -11.179 1.00 0.00 C ATOM 498 O LYS A 31 15.808 -26.625 -12.072 1.00 0.00 O ATOM 499 CB LYS A 31 14.770 -28.480 -9.299 1.00 0.00 C ATOM 500 CG LYS A 31 14.285 -28.399 -7.862 1.00 0.00 C ATOM 501 CD LYS A 31 13.594 -29.682 -7.433 1.00 0.00 C ATOM 502 CE LYS A 31 14.594 -30.716 -6.939 1.00 0.00 C ATOM 503 NZ LYS A 31 15.144 -31.534 -8.055 1.00 0.00 N ATOM 0 H LYS A 31 13.653 -26.271 -9.930 1.00 0.00 H new ATOM 0 HA LYS A 31 16.355 -27.040 -9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.915 -28.651 -9.953 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.429 -29.342 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.130 -28.202 -7.202 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.596 -27.561 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.876 -29.463 -6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.031 -30.091 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.411 -30.213 -6.421 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.111 -31.370 -6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.289 -32.511 -7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.475 -31.529 -8.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.053 -31.133 -8.364 1.00 0.00 H new ATOM 574 N TRP A 36 9.670 -25.794 -10.019 1.00 0.00 N ATOM 575 CA TRP A 36 9.546 -24.344 -10.113 1.00 0.00 C ATOM 576 C TRP A 36 8.374 -23.842 -9.276 1.00 0.00 C ATOM 577 O TRP A 36 7.216 -23.979 -9.670 1.00 0.00 O ATOM 578 CB TRP A 36 9.366 -23.920 -11.571 1.00 0.00 C ATOM 579 CG TRP A 36 9.533 -22.446 -11.787 1.00 0.00 C ATOM 580 CD1 TRP A 36 8.582 -21.481 -11.622 1.00 0.00 C ATOM 581 CD2 TRP A 36 10.724 -21.771 -12.207 1.00 0.00 C ATOM 582 NE1 TRP A 36 9.109 -20.246 -11.916 1.00 0.00 N ATOM 583 CE2 TRP A 36 10.422 -20.397 -12.277 1.00 0.00 C ATOM 584 CE3 TRP A 36 12.016 -22.194 -12.531 1.00 0.00 C ATOM 585 CZ2 TRP A 36 11.365 -19.446 -12.657 1.00 0.00 C ATOM 586 CZ3 TRP A 36 12.951 -21.249 -12.908 1.00 0.00 C ATOM 587 CH2 TRP A 36 12.622 -19.888 -12.968 1.00 0.00 C ATOM 0 HA TRP A 36 10.462 -23.900 -9.724 1.00 0.00 H new ATOM 0 HB2 TRP A 36 10.088 -24.454 -12.189 1.00 0.00 H new ATOM 0 HB3 TRP A 36 8.374 -24.219 -11.909 1.00 0.00 H new ATOM 0 HD1 TRP A 36 7.565 -21.661 -11.307 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.604 -19.361 -11.872 1.00 0.00 H new ATOM 0 HE3 TRP A 36 12.279 -23.241 -12.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 11.113 -18.397 -12.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 13.952 -21.565 -13.161 1.00 0.00 H new ATOM 0 HH2 TRP A 36 13.376 -19.174 -13.266 1.00 0.00 H new ATOM 598 N ARG A 37 8.683 -23.262 -8.121 1.00 0.00 N ATOM 599 CA ARG A 37 7.654 -22.741 -7.229 1.00 0.00 C ATOM 600 C ARG A 37 8.027 -21.351 -6.722 1.00 0.00 C ATOM 601 O ARG A 37 9.168 -21.108 -6.329 1.00 0.00 O ATOM 602 CB ARG A 37 7.448 -23.689 -6.046 1.00 0.00 C ATOM 603 CG ARG A 37 7.085 -25.106 -6.457 1.00 0.00 C ATOM 604 CD ARG A 37 7.383 -26.102 -5.346 1.00 0.00 C ATOM 605 NE ARG A 37 6.604 -25.826 -4.142 1.00 0.00 N ATOM 606 CZ ARG A 37 6.875 -26.355 -2.954 1.00 0.00 C ATOM 607 NH1 ARG A 37 7.901 -27.183 -2.812 1.00 0.00 N ATOM 608 NH2 ARG A 37 6.120 -26.056 -1.905 1.00 0.00 N ATOM 0 H ARG A 37 9.637 -23.141 -7.781 1.00 0.00 H new ATOM 0 HA ARG A 37 6.724 -22.666 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.360 -23.715 -5.449 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.660 -23.292 -5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.027 -25.152 -6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.643 -25.380 -7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.165 -27.111 -5.696 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.446 -26.070 -5.106 1.00 0.00 H new ATOM 0 HE ARG A 37 5.808 -25.192 -4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.484 -27.415 -3.616 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.107 -27.588 -1.899 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.330 -25.419 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.329 -26.463 -0.993 1.00 0.00 H new ATOM 622 N ALA A 38 7.057 -20.442 -6.735 1.00 0.00 N ATOM 623 CA ALA A 38 7.283 -19.078 -6.275 1.00 0.00 C ATOM 624 C ALA A 38 6.229 -18.660 -5.256 1.00 0.00 C ATOM 625 O ALA A 38 5.068 -19.058 -5.352 1.00 0.00 O ATOM 626 CB ALA A 38 7.288 -18.117 -7.455 1.00 0.00 C ATOM 0 H ALA A 38 6.108 -20.626 -7.059 1.00 0.00 H new ATOM 0 HA ALA A 38 8.257 -19.043 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.458 -17.102 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.083 -18.395 -8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.327 -18.165 -7.967 1.00 0.00 H new ATOM 632 N GLN A 39 6.641 -17.858 -4.280 1.00 0.00 N ATOM 633 CA GLN A 39 5.731 -17.388 -3.242 1.00 0.00 C ATOM 634 C GLN A 39 6.070 -15.960 -2.826 1.00 0.00 C ATOM 635 O GLN A 39 7.159 -15.694 -2.317 1.00 0.00 O ATOM 636 CB GLN A 39 5.790 -18.314 -2.026 1.00 0.00 C ATOM 637 CG GLN A 39 4.425 -18.631 -1.436 1.00 0.00 C ATOM 638 CD GLN A 39 4.517 -19.322 -0.089 1.00 0.00 C ATOM 639 OE1 GLN A 39 5.295 -20.260 0.088 1.00 0.00 O ATOM 640 NE2 GLN A 39 3.722 -18.860 0.869 1.00 0.00 N ATOM 0 H GLN A 39 7.599 -17.520 -4.186 1.00 0.00 H new ATOM 0 HA GLN A 39 4.720 -17.398 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.278 -19.246 -2.312 1.00 0.00 H new ATOM 0 HB3 GLN A 39 6.410 -17.852 -1.258 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.857 -17.707 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.873 -19.266 -2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.093 -18.080 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.741 -19.285 1.796 1.00 0.00 H new ATOM 649 N ARG A 40 5.131 -15.046 -3.046 1.00 0.00 N ATOM 650 CA ARG A 40 5.331 -13.645 -2.695 1.00 0.00 C ATOM 651 C ARG A 40 4.769 -13.347 -1.308 1.00 0.00 C ATOM 652 O ARG A 40 4.048 -14.159 -0.731 1.00 0.00 O ATOM 653 CB ARG A 40 4.668 -12.738 -3.732 1.00 0.00 C ATOM 654 CG ARG A 40 5.237 -11.329 -3.762 1.00 0.00 C ATOM 655 CD ARG A 40 5.366 -10.810 -5.186 1.00 0.00 C ATOM 656 NE ARG A 40 6.754 -10.528 -5.542 1.00 0.00 N ATOM 657 CZ ARG A 40 7.210 -10.541 -6.790 1.00 0.00 C ATOM 658 NH1 ARG A 40 6.392 -10.821 -7.795 1.00 0.00 N ATOM 659 NH2 ARG A 40 8.486 -10.274 -7.034 1.00 0.00 N ATOM 0 H ARG A 40 4.224 -15.250 -3.466 1.00 0.00 H new ATOM 0 HA ARG A 40 6.403 -13.448 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.780 -13.187 -4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.599 -12.685 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.593 -10.663 -3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.215 -11.320 -3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.956 -11.545 -5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.772 -9.903 -5.296 1.00 0.00 H new ATOM 0 HE ARG A 40 7.409 -10.309 -4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.410 -11.027 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.745 -10.830 -8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.118 -10.058 -6.263 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.835 -10.284 -7.992 1.00 0.00 H new ATOM 673 N GLY A 41 5.105 -12.174 -0.779 1.00 0.00 N ATOM 674 CA GLY A 41 4.626 -11.789 0.536 1.00 0.00 C ATOM 675 C GLY A 41 5.116 -10.416 0.952 1.00 0.00 C ATOM 676 O GLY A 41 6.251 -10.039 0.660 1.00 0.00 O ATOM 0 H GLY A 41 5.700 -11.484 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.536 -11.799 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.954 -12.526 1.269 1.00 0.00 H new ATOM 680 N CYS A 42 4.258 -9.666 1.636 1.00 0.00 N ATOM 681 CA CYS A 42 4.608 -8.326 2.092 1.00 0.00 C ATOM 682 C CYS A 42 5.297 -8.377 3.453 1.00 0.00 C ATOM 683 O CYS A 42 5.116 -9.326 4.216 1.00 0.00 O ATOM 684 CB CYS A 42 3.357 -7.449 2.174 1.00 0.00 C ATOM 685 SG CYS A 42 3.021 -6.491 0.661 1.00 0.00 S ATOM 0 H CYS A 42 3.315 -9.964 1.887 1.00 0.00 H new ATOM 0 HA CYS A 42 5.300 -7.893 1.370 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.496 -8.082 2.389 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.464 -6.760 3.012 1.00 0.00 H new ATOM 690 N ALA A 43 6.087 -7.351 3.749 1.00 0.00 N ATOM 691 CA ALA A 43 6.800 -7.277 5.018 1.00 0.00 C ATOM 692 C ALA A 43 7.448 -5.909 5.205 1.00 0.00 C ATOM 693 O ALA A 43 7.179 -4.975 4.449 1.00 0.00 O ATOM 694 CB ALA A 43 7.850 -8.375 5.097 1.00 0.00 C ATOM 0 H ALA A 43 6.250 -6.559 3.127 1.00 0.00 H new ATOM 0 HA ALA A 43 6.078 -7.421 5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.375 -8.308 6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.366 -9.348 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.563 -8.256 4.281 1.00 0.00 H new ATOM 700 N VAL A 44 8.302 -5.797 6.217 1.00 0.00 N ATOM 701 CA VAL A 44 8.988 -4.543 6.504 1.00 0.00 C ATOM 702 C VAL A 44 10.496 -4.750 6.595 1.00 0.00 C ATOM 703 O VAL A 44 11.235 -3.845 6.984 1.00 0.00 O ATOM 704 CB VAL A 44 8.487 -3.916 7.818 1.00 0.00 C ATOM 705 CG1 VAL A 44 8.905 -2.457 7.908 1.00 0.00 C ATOM 706 CG2 VAL A 44 6.976 -4.055 7.932 1.00 0.00 C ATOM 0 H VAL A 44 8.535 -6.560 6.852 1.00 0.00 H new ATOM 0 HA VAL A 44 8.766 -3.865 5.680 1.00 0.00 H new ATOM 0 HB VAL A 44 8.942 -4.450 8.652 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.542 -2.031 8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.992 -2.387 7.876 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.481 -1.905 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.639 -3.607 8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.500 -3.547 7.093 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.706 -5.111 7.918 1.00 0.00 H new ATOM 716 N SER A 45 10.946 -5.947 6.233 1.00 0.00 N ATOM 717 CA SER A 45 12.367 -6.275 6.277 1.00 0.00 C ATOM 718 C SER A 45 12.781 -7.062 5.037 1.00 0.00 C ATOM 719 O SER A 45 12.003 -7.851 4.500 1.00 0.00 O ATOM 720 CB SER A 45 12.687 -7.080 7.537 1.00 0.00 C ATOM 721 OG SER A 45 12.348 -8.446 7.370 1.00 0.00 O ATOM 0 H SER A 45 10.348 -6.706 5.906 1.00 0.00 H new ATOM 0 HA SER A 45 12.930 -5.342 6.298 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.748 -6.991 7.769 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.140 -6.667 8.385 1.00 0.00 H new ATOM 0 HG SER A 45 12.564 -8.939 8.189 1.00 0.00 H new ATOM 727 N CYS A 46 14.012 -6.842 4.589 1.00 0.00 N ATOM 728 CA CYS A 46 14.532 -7.529 3.413 1.00 0.00 C ATOM 729 C CYS A 46 15.636 -8.509 3.799 1.00 0.00 C ATOM 730 O CYS A 46 16.827 -8.223 3.674 1.00 0.00 O ATOM 731 CB CYS A 46 15.067 -6.515 2.399 1.00 0.00 C ATOM 732 SG CYS A 46 15.610 -7.254 0.825 1.00 0.00 S ATOM 0 H CYS A 46 14.669 -6.193 5.023 1.00 0.00 H new ATOM 0 HA CYS A 46 13.715 -8.090 2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.290 -5.778 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.905 -5.979 2.845 1.00 0.00 H new ATOM 737 N PRO A 47 15.233 -9.694 4.281 1.00 0.00 N ATOM 738 CA PRO A 47 16.171 -10.741 4.695 1.00 0.00 C ATOM 739 C PRO A 47 16.907 -11.362 3.512 1.00 0.00 C ATOM 740 O PRO A 47 16.864 -10.840 2.398 1.00 0.00 O ATOM 741 CB PRO A 47 15.270 -11.779 5.368 1.00 0.00 C ATOM 742 CG PRO A 47 13.930 -11.575 4.751 1.00 0.00 C ATOM 743 CD PRO A 47 13.829 -10.104 4.457 1.00 0.00 C ATOM 0 HA PRO A 47 16.955 -10.351 5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.635 -12.791 5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.235 -11.632 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.827 -12.163 3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.137 -11.893 5.427 1.00 0.00 H new ATOM 0 HD2 PRO A 47 13.239 -9.913 3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.352 -9.563 5.274 1.00 0.00 H new ATOM 751 N LYS A 48 17.581 -12.480 3.760 1.00 0.00 N ATOM 752 CA LYS A 48 18.324 -13.173 2.716 1.00 0.00 C ATOM 753 C LYS A 48 17.862 -14.622 2.589 1.00 0.00 C ATOM 754 O LYS A 48 16.908 -15.038 3.245 1.00 0.00 O ATOM 755 CB LYS A 48 19.825 -13.130 3.015 1.00 0.00 C ATOM 756 CG LYS A 48 20.172 -13.518 4.441 1.00 0.00 C ATOM 757 CD LYS A 48 20.103 -15.022 4.642 1.00 0.00 C ATOM 758 CE LYS A 48 20.864 -15.454 5.886 1.00 0.00 C ATOM 759 NZ LYS A 48 22.314 -15.653 5.608 1.00 0.00 N ATOM 0 H LYS A 48 17.627 -12.925 4.676 1.00 0.00 H new ATOM 0 HA LYS A 48 18.133 -12.665 1.771 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.343 -13.800 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.197 -12.124 2.820 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.174 -13.163 4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 48 19.486 -13.026 5.130 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.061 -15.331 4.726 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.516 -15.526 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.744 -14.701 6.665 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.437 -16.381 6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.798 -15.947 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.431 -16.389 4.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.727 -14.762 5.266 1.00 0.00 H new ATOM 773 N ALA A 49 18.547 -15.384 1.743 1.00 0.00 N ATOM 774 CA ALA A 49 18.209 -16.787 1.534 1.00 0.00 C ATOM 775 C ALA A 49 19.421 -17.579 1.057 1.00 0.00 C ATOM 776 O ALA A 49 20.523 -17.040 0.945 1.00 0.00 O ATOM 777 CB ALA A 49 17.068 -16.911 0.535 1.00 0.00 C ATOM 0 H ALA A 49 19.339 -15.054 1.191 1.00 0.00 H new ATOM 0 HA ALA A 49 17.889 -17.204 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.826 -17.964 0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.192 -16.387 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 49 17.368 -16.472 -0.416 1.00 0.00 H new ATOM 783 N LYS A 50 19.212 -18.860 0.776 1.00 0.00 N ATOM 784 CA LYS A 50 20.287 -19.728 0.310 1.00 0.00 C ATOM 785 C LYS A 50 20.670 -19.395 -1.128 1.00 0.00 C ATOM 786 O LYS A 50 19.911 -18.770 -1.869 1.00 0.00 O ATOM 787 CB LYS A 50 19.866 -21.196 0.411 1.00 0.00 C ATOM 788 CG LYS A 50 20.195 -21.832 1.750 1.00 0.00 C ATOM 789 CD LYS A 50 20.199 -23.349 1.660 1.00 0.00 C ATOM 790 CE LYS A 50 18.800 -23.921 1.825 1.00 0.00 C ATOM 791 NZ LYS A 50 18.058 -23.953 0.533 1.00 0.00 N ATOM 0 H LYS A 50 18.306 -19.321 0.863 1.00 0.00 H new ATOM 0 HA LYS A 50 21.156 -19.562 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.793 -21.270 0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.357 -21.761 -0.381 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.171 -21.484 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.466 -21.513 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.608 -23.656 0.697 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.854 -23.758 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.866 -24.930 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 50 18.246 -23.322 2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.363 -24.726 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.566 -23.048 0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.727 -24.107 -0.248 1.00 0.00 H new ATOM 805 N PRO A 51 21.874 -19.823 -1.535 1.00 0.00 N ATOM 806 CA PRO A 51 22.384 -19.583 -2.889 1.00 0.00 C ATOM 807 C PRO A 51 21.632 -20.390 -3.942 1.00 0.00 C ATOM 808 O PRO A 51 21.701 -20.090 -5.133 1.00 0.00 O ATOM 809 CB PRO A 51 23.842 -20.040 -2.805 1.00 0.00 C ATOM 810 CG PRO A 51 23.864 -21.035 -1.696 1.00 0.00 C ATOM 811 CD PRO A 51 22.831 -20.574 -0.706 1.00 0.00 C ATOM 0 HA PRO A 51 22.267 -18.542 -3.191 1.00 0.00 H new ATOM 0 HB2 PRO A 51 24.172 -20.486 -3.743 1.00 0.00 H new ATOM 0 HB3 PRO A 51 24.508 -19.202 -2.599 1.00 0.00 H new ATOM 0 HG2 PRO A 51 23.633 -22.035 -2.064 1.00 0.00 H new ATOM 0 HG3 PRO A 51 24.851 -21.085 -1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 51 22.353 -21.415 -0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 51 23.270 -19.946 0.069 1.00 0.00 H new ATOM 819 N ASN A 52 20.914 -21.415 -3.495 1.00 0.00 N ATOM 820 CA ASN A 52 20.150 -22.266 -4.400 1.00 0.00 C ATOM 821 C ASN A 52 18.851 -21.584 -4.820 1.00 0.00 C ATOM 822 O ASN A 52 18.543 -21.493 -6.008 1.00 0.00 O ATOM 823 CB ASN A 52 19.842 -23.608 -3.734 1.00 0.00 C ATOM 824 CG ASN A 52 21.094 -24.312 -3.246 1.00 0.00 C ATOM 825 OD1 ASN A 52 21.695 -25.106 -3.970 1.00 0.00 O ATOM 826 ND2 ASN A 52 21.492 -24.023 -2.013 1.00 0.00 N ATOM 0 H ASN A 52 20.845 -21.677 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 52 20.753 -22.441 -5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.168 -23.447 -2.893 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.320 -24.251 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 52 22.327 -24.465 -1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.962 -23.358 -1.449 1.00 0.00 H new ATOM 833 N GLU A 53 18.095 -21.107 -3.836 1.00 0.00 N ATOM 834 CA GLU A 53 16.830 -20.433 -4.105 1.00 0.00 C ATOM 835 C GLU A 53 17.066 -19.022 -4.633 1.00 0.00 C ATOM 836 O GLU A 53 18.206 -18.608 -4.847 1.00 0.00 O ATOM 837 CB GLU A 53 15.976 -20.379 -2.836 1.00 0.00 C ATOM 838 CG GLU A 53 16.465 -19.363 -1.817 1.00 0.00 C ATOM 839 CD GLU A 53 15.903 -19.610 -0.431 1.00 0.00 C ATOM 840 OE1 GLU A 53 14.670 -19.500 -0.263 1.00 0.00 O ATOM 841 OE2 GLU A 53 16.694 -19.913 0.486 1.00 0.00 O ATOM 0 H GLU A 53 18.336 -21.175 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 53 16.299 -21.003 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.948 -20.141 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.963 -21.366 -2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 53 17.554 -19.392 -1.774 1.00 0.00 H new ATOM 0 HG3 GLU A 53 16.186 -18.362 -2.145 1.00 0.00 H new ATOM 848 N THR A 54 15.979 -18.285 -4.843 1.00 0.00 N ATOM 849 CA THR A 54 16.066 -16.921 -5.348 1.00 0.00 C ATOM 850 C THR A 54 15.040 -16.018 -4.674 1.00 0.00 C ATOM 851 O THR A 54 13.834 -16.244 -4.781 1.00 0.00 O ATOM 852 CB THR A 54 15.854 -16.871 -6.873 1.00 0.00 C ATOM 853 OG1 THR A 54 16.710 -17.820 -7.518 1.00 0.00 O ATOM 854 CG2 THR A 54 16.135 -15.477 -7.414 1.00 0.00 C ATOM 0 H THR A 54 15.028 -18.611 -4.671 1.00 0.00 H new ATOM 0 HA THR A 54 17.069 -16.563 -5.116 1.00 0.00 H new ATOM 0 HB THR A 54 14.814 -17.121 -7.081 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.568 -17.783 -8.487 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.979 -15.467 -8.493 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.461 -14.761 -6.943 1.00 0.00 H new ATOM 0 HG23 THR A 54 17.167 -15.203 -7.195 1.00 0.00 H new ATOM 862 N VAL A 55 15.524 -14.993 -3.980 1.00 0.00 N ATOM 863 CA VAL A 55 14.648 -14.055 -3.289 1.00 0.00 C ATOM 864 C VAL A 55 14.852 -12.634 -3.801 1.00 0.00 C ATOM 865 O VAL A 55 15.975 -12.225 -4.093 1.00 0.00 O ATOM 866 CB VAL A 55 14.887 -14.080 -1.768 1.00 0.00 C ATOM 867 CG1 VAL A 55 16.365 -13.907 -1.456 1.00 0.00 C ATOM 868 CG2 VAL A 55 14.060 -13.003 -1.081 1.00 0.00 C ATOM 0 H VAL A 55 16.519 -14.791 -3.881 1.00 0.00 H new ATOM 0 HA VAL A 55 13.624 -14.369 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 55 14.570 -15.050 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 55 16.514 -13.927 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.931 -14.717 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 55 16.711 -12.952 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.241 -13.035 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 55 14.344 -12.024 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 55 13.002 -13.177 -1.276 1.00 0.00 H new ATOM 878 N GLN A 56 13.758 -11.886 -3.907 1.00 0.00 N ATOM 879 CA GLN A 56 13.818 -10.509 -4.385 1.00 0.00 C ATOM 880 C GLN A 56 12.833 -9.627 -3.625 1.00 0.00 C ATOM 881 O GLN A 56 11.645 -9.937 -3.537 1.00 0.00 O ATOM 882 CB GLN A 56 13.519 -10.454 -5.884 1.00 0.00 C ATOM 883 CG GLN A 56 14.159 -11.584 -6.674 1.00 0.00 C ATOM 884 CD GLN A 56 13.257 -12.796 -6.794 1.00 0.00 C ATOM 885 OE1 GLN A 56 12.157 -12.714 -7.341 1.00 0.00 O ATOM 886 NE2 GLN A 56 13.718 -13.931 -6.281 1.00 0.00 N ATOM 0 H GLN A 56 12.821 -12.210 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 56 14.826 -10.133 -4.209 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.440 -10.484 -6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 56 13.869 -9.501 -6.281 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.414 -11.226 -7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.092 -11.876 -6.192 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.636 -13.954 -5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.154 -14.780 -6.332 1.00 0.00 H new ATOM 895 N CYS A 57 13.335 -8.525 -3.077 1.00 0.00 N ATOM 896 CA CYS A 57 12.501 -7.597 -2.324 1.00 0.00 C ATOM 897 C CYS A 57 12.507 -6.214 -2.968 1.00 0.00 C ATOM 898 O CYS A 57 13.460 -5.840 -3.653 1.00 0.00 O ATOM 899 CB CYS A 57 12.988 -7.499 -0.877 1.00 0.00 C ATOM 900 SG CYS A 57 14.550 -6.584 -0.678 1.00 0.00 S ATOM 0 H CYS A 57 14.316 -8.253 -3.141 1.00 0.00 H new ATOM 0 HA CYS A 57 11.480 -7.978 -2.332 1.00 0.00 H new ATOM 0 HB2 CYS A 57 12.217 -7.015 -0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.116 -8.506 -0.479 1.00 0.00 H new ATOM 905 N CYS A 58 11.437 -5.458 -2.744 1.00 0.00 N ATOM 906 CA CYS A 58 11.318 -4.116 -3.302 1.00 0.00 C ATOM 907 C CYS A 58 10.646 -3.172 -2.310 1.00 0.00 C ATOM 908 O CYS A 58 9.770 -3.579 -1.546 1.00 0.00 O ATOM 909 CB CYS A 58 10.521 -4.153 -4.608 1.00 0.00 C ATOM 910 SG CYS A 58 11.528 -3.886 -6.102 1.00 0.00 S ATOM 0 H CYS A 58 10.640 -5.752 -2.180 1.00 0.00 H new ATOM 0 HA CYS A 58 12.322 -3.744 -3.507 1.00 0.00 H new ATOM 0 HB2 CYS A 58 10.020 -5.118 -4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.742 -3.392 -4.567 1.00 0.00 H new ATOM 915 N SER A 59 11.061 -1.910 -2.328 1.00 0.00 N ATOM 916 CA SER A 59 10.503 -0.908 -1.427 1.00 0.00 C ATOM 917 C SER A 59 10.018 0.312 -2.205 1.00 0.00 C ATOM 918 O SER A 59 10.305 1.452 -1.837 1.00 0.00 O ATOM 919 CB SER A 59 11.545 -0.485 -0.390 1.00 0.00 C ATOM 920 OG SER A 59 12.823 -0.333 -0.985 1.00 0.00 O ATOM 0 H SER A 59 11.782 -1.556 -2.957 1.00 0.00 H new ATOM 0 HA SER A 59 9.651 -1.352 -0.913 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.242 0.454 0.073 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.596 -1.230 0.404 1.00 0.00 H new ATOM 0 HG SER A 59 13.471 -0.061 -0.302 1.00 0.00 H new ATOM 926 N THR A 60 9.282 0.064 -3.283 1.00 0.00 N ATOM 927 CA THR A 60 8.758 1.141 -4.115 1.00 0.00 C ATOM 928 C THR A 60 7.552 0.674 -4.923 1.00 0.00 C ATOM 929 O THR A 60 7.382 -0.520 -5.168 1.00 0.00 O ATOM 930 CB THR A 60 9.831 1.678 -5.080 1.00 0.00 C ATOM 931 OG1 THR A 60 10.902 0.735 -5.196 1.00 0.00 O ATOM 932 CG2 THR A 60 10.376 3.013 -4.594 1.00 0.00 C ATOM 0 H THR A 60 9.035 -0.873 -3.601 1.00 0.00 H new ATOM 0 HA THR A 60 8.453 1.941 -3.441 1.00 0.00 H new ATOM 0 HB THR A 60 9.369 1.825 -6.056 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.579 1.083 -5.813 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.132 3.373 -5.291 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.564 3.737 -4.534 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.823 2.886 -3.608 1.00 0.00 H new ATOM 940 N ASP A 61 6.719 1.623 -5.335 1.00 0.00 N ATOM 941 CA ASP A 61 5.529 1.309 -6.117 1.00 0.00 C ATOM 942 C ASP A 61 5.910 0.815 -7.510 1.00 0.00 C ATOM 943 O ASP A 61 6.789 1.379 -8.162 1.00 0.00 O ATOM 944 CB ASP A 61 4.627 2.539 -6.228 1.00 0.00 C ATOM 945 CG ASP A 61 5.166 3.568 -7.202 1.00 0.00 C ATOM 946 OD1 ASP A 61 6.014 4.387 -6.790 1.00 0.00 O ATOM 947 OD2 ASP A 61 4.742 3.553 -8.376 1.00 0.00 O ATOM 0 H ASP A 61 6.846 2.616 -5.140 1.00 0.00 H new ATOM 0 HA ASP A 61 4.986 0.515 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.632 2.228 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.519 2.996 -5.244 1.00 0.00 H new ATOM 952 N LYS A 62 5.243 -0.242 -7.959 1.00 0.00 N ATOM 953 CA LYS A 62 5.510 -0.814 -9.274 1.00 0.00 C ATOM 954 C LYS A 62 6.934 -1.355 -9.353 1.00 0.00 C ATOM 955 O LYS A 62 7.457 -1.597 -10.441 1.00 0.00 O ATOM 956 CB LYS A 62 5.291 0.238 -10.364 1.00 0.00 C ATOM 957 CG LYS A 62 4.010 1.036 -10.190 1.00 0.00 C ATOM 958 CD LYS A 62 2.780 0.161 -10.362 1.00 0.00 C ATOM 959 CE LYS A 62 2.370 0.056 -11.823 1.00 0.00 C ATOM 960 NZ LYS A 62 3.068 -1.063 -12.516 1.00 0.00 N ATOM 0 H LYS A 62 4.513 -0.721 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 62 4.817 -1.641 -9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.138 0.924 -10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.273 -0.256 -11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.997 1.493 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.985 1.848 -10.917 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.983 -0.835 -9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.955 0.573 -9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.292 -0.093 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.594 0.994 -12.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.435 -1.479 -13.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.924 -0.702 -12.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.333 -1.790 -11.821 1.00 0.00 H new ATOM 974 N CYS A 63 7.555 -1.544 -8.194 1.00 0.00 N ATOM 975 CA CYS A 63 8.918 -2.057 -8.132 1.00 0.00 C ATOM 976 C CYS A 63 8.923 -3.581 -8.059 1.00 0.00 C ATOM 977 O CYS A 63 9.623 -4.247 -8.820 1.00 0.00 O ATOM 978 CB CYS A 63 9.649 -1.476 -6.920 1.00 0.00 C ATOM 979 SG CYS A 63 11.375 -2.036 -6.754 1.00 0.00 S ATOM 0 H CYS A 63 7.136 -1.350 -7.285 1.00 0.00 H new ATOM 0 HA CYS A 63 9.436 -1.752 -9.041 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.636 -0.388 -6.988 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.102 -1.745 -6.016 1.00 0.00 H new ATOM 984 N ASN A 64 8.134 -4.127 -7.138 1.00 0.00 N ATOM 985 CA ASN A 64 8.047 -5.572 -6.966 1.00 0.00 C ATOM 986 C ASN A 64 7.788 -6.264 -8.300 1.00 0.00 C ATOM 987 O ASN A 64 6.701 -6.155 -8.868 1.00 0.00 O ATOM 988 CB ASN A 64 6.937 -5.922 -5.973 1.00 0.00 C ATOM 989 CG ASN A 64 7.232 -7.194 -5.201 1.00 0.00 C ATOM 990 OD1 ASN A 64 8.389 -7.579 -5.037 1.00 0.00 O ATOM 991 ND2 ASN A 64 6.182 -7.852 -4.723 1.00 0.00 N ATOM 0 H ASN A 64 7.546 -3.590 -6.500 1.00 0.00 H new ATOM 0 HA ASN A 64 9.001 -5.924 -6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.806 -5.097 -5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 64 5.995 -6.036 -6.510 1.00 0.00 H new ATOM 0 HD21 ASN A 64 6.318 -8.714 -4.195 1.00 0.00 H new ATOM 0 HD22 ASN A 64 5.240 -7.495 -4.884 1.00 0.00 H new ATOM 998 N LYS A 65 8.793 -6.978 -8.796 1.00 0.00 N ATOM 999 CA LYS A 65 8.675 -7.690 -10.063 1.00 0.00 C ATOM 1000 C LYS A 65 7.857 -8.967 -9.895 1.00 0.00 C ATOM 1001 O LYS A 65 6.776 -9.102 -10.468 1.00 0.00 O ATOM 1002 CB LYS A 65 10.063 -8.030 -10.611 1.00 0.00 C ATOM 1003 CG LYS A 65 10.714 -6.887 -11.370 1.00 0.00 C ATOM 1004 CD LYS A 65 11.616 -6.061 -10.468 1.00 0.00 C ATOM 1005 CE LYS A 65 11.985 -4.734 -11.113 1.00 0.00 C ATOM 1006 NZ LYS A 65 12.808 -3.886 -10.207 1.00 0.00 N ATOM 0 H LYS A 65 9.699 -7.079 -8.339 1.00 0.00 H new ATOM 0 HA LYS A 65 8.160 -7.040 -10.770 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.710 -8.320 -9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.982 -8.894 -11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.296 -7.286 -12.201 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.942 -6.247 -11.799 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.113 -5.878 -9.518 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.523 -6.623 -10.245 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.535 -4.919 -12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.076 -4.198 -11.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.038 -2.991 -10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.274 -3.688 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.687 -4.387 -9.967 1.00 0.00 H new