USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 747 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 47 SER OG : rot 143:sc= 1.17 USER MOD Set 1.2: A 50 MET CE :methyl 166:sc= 0 (180deg=-0.00441) USER MOD Set 1.3: A 76 THR OG1 : rot 47:sc= 0.602 USER MOD Set 1.4: A 101 HEC O2D : rot -136:sc= 0.74 USER MOD Set 2.1: A 46 TYR OH : rot -130:sc= 0 USER MOD Set 2.2: A 101 HEC O2A : rot -82:sc= 0.587 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -148:sc= 0.0237 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.161) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.72 K(o=0.72,f=0) USER MOD Single : A 29 HIS : no HE2:sc= 0.193 K(o=0.19,f=-1.8!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 37 THR OG1 : rot -46:sc= 0.0456 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= 0.498 K(o=0.5,f=-1.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 67 THR OG1 : rot 69:sc= 1.07 USER MOD Single : A 68 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.9!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= 0.481 (180deg=0.129) USER MOD Single : A 77 LYS NZ :NH3+ -155:sc= 0.117 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0.4 X(o=0.4,f=-0.082) USER MOD Single : A 95 TYR OH : rot 23:sc= 1.21 USER MOD Single : A 99 GLN : amide:sc= 0.306 K(o=0.31,f=-0.44) USER MOD Single : A 100 GLN : amide:sc= 0.0861 X(o=0.086,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.295 -3.330 -2.260 1.00 0.00 N ATOM 2 CA MET A 1 3.147 -2.154 -1.366 1.00 0.00 C ATOM 3 C MET A 1 1.914 -1.308 -1.805 1.00 0.00 C ATOM 4 O MET A 1 0.778 -1.694 -1.521 1.00 0.00 O ATOM 5 CB MET A 1 4.516 -1.427 -1.199 1.00 0.00 C ATOM 6 CG MET A 1 5.557 -2.173 -0.342 1.00 0.00 C ATOM 7 SD MET A 1 7.075 -1.206 -0.244 1.00 0.00 S ATOM 8 CE MET A 1 8.044 -2.292 0.816 1.00 0.00 C ATOM 0 H1 MET A 1 3.695 -4.126 -1.723 1.00 0.00 H new ATOM 0 H2 MET A 1 2.364 -3.599 -2.636 1.00 0.00 H new ATOM 0 H3 MET A 1 3.930 -3.090 -3.048 1.00 0.00 H new ATOM 0 HA MET A 1 2.901 -2.440 -0.343 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.940 -1.255 -2.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.337 -0.448 -0.754 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.161 -2.347 0.658 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.765 -3.151 -0.776 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.026 -1.851 0.988 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.532 -2.421 1.770 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.161 -3.262 0.333 1.00 0.00 H new ATOM 19 N ALA A 2 2.107 -0.166 -2.481 1.00 0.00 N ATOM 20 CA ALA A 2 0.999 0.745 -2.874 1.00 0.00 C ATOM 21 C ALA A 2 0.448 0.452 -4.308 1.00 0.00 C ATOM 22 O ALA A 2 0.767 1.150 -5.277 1.00 0.00 O ATOM 23 CB ALA A 2 1.542 2.176 -2.686 1.00 0.00 C ATOM 0 H ALA A 2 3.028 0.160 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 2 0.120 0.594 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.771 2.897 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.824 2.324 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.416 2.320 -3.322 1.00 0.00 H new ATOM 29 N ASP A 3 -0.399 -0.586 -4.432 1.00 0.00 N ATOM 30 CA ASP A 3 -0.962 -1.025 -5.739 1.00 0.00 C ATOM 31 C ASP A 3 -2.530 -0.875 -5.761 1.00 0.00 C ATOM 32 O ASP A 3 -3.207 -1.721 -5.162 1.00 0.00 O ATOM 33 CB ASP A 3 -0.462 -2.471 -6.005 1.00 0.00 C ATOM 34 CG ASP A 3 -0.759 -2.972 -7.418 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.850 -3.423 -7.756 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.310 -2.830 -8.257 1.00 0.00 O ATOM 0 H ASP A 3 -0.716 -1.146 -3.640 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.615 -0.389 -6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.614 -2.512 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.926 -3.145 -5.285 1.00 0.00 H new ATOM 41 N PRO A 4 -3.150 0.117 -6.473 1.00 0.00 N ATOM 42 CA PRO A 4 -4.635 0.209 -6.617 1.00 0.00 C ATOM 43 C PRO A 4 -5.422 -0.972 -7.273 1.00 0.00 C ATOM 44 O PRO A 4 -6.540 -1.265 -6.844 1.00 0.00 O ATOM 45 CB PRO A 4 -4.820 1.533 -7.389 1.00 0.00 C ATOM 46 CG PRO A 4 -3.558 2.347 -7.108 1.00 0.00 C ATOM 47 CD PRO A 4 -2.450 1.300 -7.014 1.00 0.00 C ATOM 0 HA PRO A 4 -5.082 0.160 -5.624 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.941 1.351 -8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -5.712 2.062 -7.053 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.361 3.065 -7.905 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.649 2.915 -6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.006 1.095 -7.988 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.643 1.625 -6.358 1.00 0.00 H new ATOM 55 N ALA A 5 -4.848 -1.651 -8.285 1.00 0.00 N ATOM 56 CA ALA A 5 -5.442 -2.878 -8.890 1.00 0.00 C ATOM 57 C ALA A 5 -5.597 -4.102 -7.926 1.00 0.00 C ATOM 58 O ALA A 5 -6.700 -4.645 -7.803 1.00 0.00 O ATOM 59 CB ALA A 5 -4.606 -3.197 -10.145 1.00 0.00 C ATOM 0 H ALA A 5 -3.964 -1.373 -8.711 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.482 -2.673 -9.146 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.001 -4.091 -10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.656 -2.358 -10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.569 -3.368 -9.857 1.00 0.00 H new ATOM 65 N ALA A 6 -4.537 -4.480 -7.182 1.00 0.00 N ATOM 66 CA ALA A 6 -4.669 -5.331 -5.968 1.00 0.00 C ATOM 67 C ALA A 6 -5.590 -4.766 -4.832 1.00 0.00 C ATOM 68 O ALA A 6 -6.391 -5.518 -4.272 1.00 0.00 O ATOM 69 CB ALA A 6 -3.243 -5.625 -5.470 1.00 0.00 C ATOM 0 H ALA A 6 -3.576 -4.212 -7.396 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.195 -6.242 -6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.291 -6.249 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.686 -6.147 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.741 -4.688 -5.231 1.00 0.00 H new ATOM 75 N GLY A 7 -5.543 -3.452 -4.539 1.00 0.00 N ATOM 76 CA GLY A 7 -6.529 -2.784 -3.647 1.00 0.00 C ATOM 77 C GLY A 7 -8.037 -2.907 -3.957 1.00 0.00 C ATOM 78 O GLY A 7 -8.820 -3.018 -3.017 1.00 0.00 O ATOM 0 H GLY A 7 -4.830 -2.823 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.370 -3.167 -2.639 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.285 -1.722 -3.627 1.00 0.00 H new ATOM 82 N GLU A 8 -8.442 -2.934 -5.237 1.00 0.00 N ATOM 83 CA GLU A 8 -9.830 -3.294 -5.649 1.00 0.00 C ATOM 84 C GLU A 8 -10.311 -4.732 -5.251 1.00 0.00 C ATOM 85 O GLU A 8 -11.415 -4.869 -4.717 1.00 0.00 O ATOM 86 CB GLU A 8 -9.958 -3.010 -7.169 1.00 0.00 C ATOM 87 CG GLU A 8 -11.419 -2.997 -7.689 1.00 0.00 C ATOM 88 CD GLU A 8 -11.618 -2.229 -8.992 1.00 0.00 C ATOM 89 OE1 GLU A 8 -11.292 -2.965 -10.089 1.00 0.00 O ATOM 90 OE2 GLU A 8 -12.029 -1.071 -9.039 1.00 0.00 O ATOM 0 H GLU A 8 -7.828 -2.710 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.517 -2.668 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.497 -2.047 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.395 -3.765 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.749 -4.026 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.060 -2.561 -6.923 1.00 0.00 H new ATOM 97 N LYS A 9 -9.495 -5.783 -5.465 1.00 0.00 N ATOM 98 CA LYS A 9 -9.759 -7.133 -4.872 1.00 0.00 C ATOM 99 C LYS A 9 -9.707 -7.226 -3.304 1.00 0.00 C ATOM 100 O LYS A 9 -10.579 -7.877 -2.722 1.00 0.00 O ATOM 101 CB LYS A 9 -8.971 -8.251 -5.606 1.00 0.00 C ATOM 102 CG LYS A 9 -7.434 -8.226 -5.501 1.00 0.00 C ATOM 103 CD LYS A 9 -6.771 -9.480 -6.103 1.00 0.00 C ATOM 104 CE LYS A 9 -5.239 -9.442 -5.988 1.00 0.00 C ATOM 105 NZ LYS A 9 -4.659 -10.688 -6.521 1.00 0.00 N ATOM 0 H LYS A 9 -8.652 -5.737 -6.037 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.817 -7.313 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.318 -9.212 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.236 -8.211 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.054 -7.340 -6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.148 -8.138 -4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.149 -10.367 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.052 -9.569 -7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.847 -8.586 -6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.948 -9.313 -4.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.623 -10.652 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.021 -11.499 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.923 -10.794 -7.521 1.00 0.00 H new ATOM 118 N VAL A 10 -8.772 -6.540 -2.609 1.00 0.00 N ATOM 119 CA VAL A 10 -8.828 -6.364 -1.114 1.00 0.00 C ATOM 120 C VAL A 10 -10.102 -5.561 -0.621 1.00 0.00 C ATOM 121 O VAL A 10 -10.736 -5.969 0.357 1.00 0.00 O ATOM 122 CB VAL A 10 -7.476 -5.800 -0.539 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.415 -5.849 1.007 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.185 -6.524 -1.003 1.00 0.00 C ATOM 0 H VAL A 10 -7.965 -6.094 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.951 -7.362 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.491 -4.785 -0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.460 -5.447 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.228 -5.253 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.514 -6.881 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.317 -6.050 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.227 -7.571 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.102 -6.460 -2.088 1.00 0.00 H new ATOM 134 N PHE A 11 -10.531 -4.488 -1.324 1.00 0.00 N ATOM 135 CA PHE A 11 -11.888 -3.872 -1.175 1.00 0.00 C ATOM 136 C PHE A 11 -13.145 -4.805 -1.381 1.00 0.00 C ATOM 137 O PHE A 11 -14.237 -4.436 -0.941 1.00 0.00 O ATOM 138 CB PHE A 11 -11.917 -2.616 -2.102 1.00 0.00 C ATOM 139 CG PHE A 11 -13.000 -1.565 -1.796 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.279 -1.669 -2.353 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.704 -0.480 -0.966 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.264 -0.736 -2.033 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.682 0.463 -0.664 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.967 0.322 -1.180 1.00 0.00 C ATOM 0 H PHE A 11 -9.950 -4.016 -2.016 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.005 -3.619 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.943 -2.129 -2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.049 -2.953 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.504 -2.476 -3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.710 -0.373 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.257 -0.834 -2.447 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.444 1.304 -0.029 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.735 1.035 -0.918 1.00 0.00 H new ATOM 154 N GLY A 12 -13.018 -6.025 -1.945 1.00 0.00 N ATOM 155 CA GLY A 12 -14.034 -7.107 -1.799 1.00 0.00 C ATOM 156 C GLY A 12 -14.607 -7.435 -0.392 1.00 0.00 C ATOM 157 O GLY A 12 -15.807 -7.689 -0.274 1.00 0.00 O ATOM 0 H GLY A 12 -12.215 -6.294 -2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.876 -6.853 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.595 -8.023 -2.194 1.00 0.00 H new ATOM 161 N LYS A 13 -13.784 -7.365 0.669 1.00 0.00 N ATOM 162 CA LYS A 13 -14.287 -7.325 2.080 1.00 0.00 C ATOM 163 C LYS A 13 -15.095 -6.045 2.515 1.00 0.00 C ATOM 164 O LYS A 13 -15.925 -6.129 3.421 1.00 0.00 O ATOM 165 CB LYS A 13 -13.100 -7.574 3.057 1.00 0.00 C ATOM 166 CG LYS A 13 -12.411 -8.961 2.973 1.00 0.00 C ATOM 167 CD LYS A 13 -11.232 -9.142 3.954 1.00 0.00 C ATOM 168 CE LYS A 13 -11.647 -9.457 5.402 1.00 0.00 C ATOM 169 NZ LYS A 13 -10.453 -9.557 6.267 1.00 0.00 N ATOM 0 H LYS A 13 -12.767 -7.334 0.591 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.030 -8.121 2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.346 -6.808 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.462 -7.435 4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.153 -9.735 3.167 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.050 -9.114 1.956 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.593 -9.947 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.631 -8.232 3.952 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.311 -8.677 5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.206 -10.392 5.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.747 -9.770 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.834 -10.317 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.936 -8.655 6.251 1.00 0.00 H new ATOM 182 N CYS A 14 -14.851 -4.881 1.893 1.00 0.00 N ATOM 183 CA CYS A 14 -15.574 -3.610 2.178 1.00 0.00 C ATOM 184 C CYS A 14 -16.903 -3.385 1.378 1.00 0.00 C ATOM 185 O CYS A 14 -17.879 -2.895 1.954 1.00 0.00 O ATOM 186 CB CYS A 14 -14.596 -2.431 1.939 1.00 0.00 C ATOM 187 SG CYS A 14 -12.873 -2.782 2.392 1.00 0.00 S ATOM 0 H CYS A 14 -14.140 -4.784 1.168 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.899 -3.672 3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.632 -2.152 0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.940 -1.568 2.509 1.00 0.00 H new ATOM 192 N LYS A 15 -16.939 -3.711 0.067 1.00 0.00 N ATOM 193 CA LYS A 15 -18.083 -3.402 -0.846 1.00 0.00 C ATOM 194 C LYS A 15 -19.520 -3.918 -0.497 1.00 0.00 C ATOM 195 O LYS A 15 -20.497 -3.277 -0.892 1.00 0.00 O ATOM 196 CB LYS A 15 -17.656 -3.752 -2.297 1.00 0.00 C ATOM 197 CG LYS A 15 -17.504 -5.251 -2.656 1.00 0.00 C ATOM 198 CD LYS A 15 -16.716 -5.537 -3.954 1.00 0.00 C ATOM 199 CE LYS A 15 -17.397 -5.183 -5.286 1.00 0.00 C ATOM 200 NZ LYS A 15 -17.261 -3.754 -5.630 1.00 0.00 N ATOM 0 H LYS A 15 -16.174 -4.199 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.254 -2.335 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.387 -3.316 -2.977 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.704 -3.260 -2.495 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.008 -5.758 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.498 -5.689 -2.749 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.773 -4.993 -3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.471 -6.599 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.964 -5.788 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.455 -5.440 -5.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.404 -3.628 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.973 -3.202 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.310 -3.423 -5.371 1.00 0.00 H new ATOM 213 N ALA A 16 -19.660 -5.020 0.264 1.00 0.00 N ATOM 214 CA ALA A 16 -20.952 -5.402 0.900 1.00 0.00 C ATOM 215 C ALA A 16 -21.594 -4.363 1.888 1.00 0.00 C ATOM 216 O ALA A 16 -22.818 -4.209 1.884 1.00 0.00 O ATOM 217 CB ALA A 16 -20.715 -6.768 1.573 1.00 0.00 C ATOM 0 H ALA A 16 -18.897 -5.668 0.458 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.706 -5.441 0.114 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.633 -7.099 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.419 -7.498 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.925 -6.674 2.318 1.00 0.00 H new ATOM 223 N CYS A 17 -20.791 -3.656 2.708 1.00 0.00 N ATOM 224 CA CYS A 17 -21.277 -2.525 3.544 1.00 0.00 C ATOM 225 C CYS A 17 -21.115 -1.085 2.933 1.00 0.00 C ATOM 226 O CYS A 17 -21.976 -0.234 3.175 1.00 0.00 O ATOM 227 CB CYS A 17 -20.554 -2.613 4.903 1.00 0.00 C ATOM 228 SG CYS A 17 -20.705 -4.243 5.701 1.00 0.00 S ATOM 0 H CYS A 17 -19.794 -3.846 2.814 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.357 -2.643 3.627 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.498 -2.384 4.759 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.958 -1.852 5.570 1.00 0.00 H new ATOM 233 N HIS A 18 -20.006 -0.794 2.222 1.00 0.00 N ATOM 234 CA HIS A 18 -19.596 0.576 1.818 1.00 0.00 C ATOM 235 C HIS A 18 -19.612 0.741 0.265 1.00 0.00 C ATOM 236 O HIS A 18 -19.009 -0.043 -0.475 1.00 0.00 O ATOM 237 CB HIS A 18 -18.149 0.815 2.325 1.00 0.00 C ATOM 238 CG HIS A 18 -17.995 1.118 3.811 1.00 0.00 C ATOM 239 ND1 HIS A 18 -17.928 2.399 4.291 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.592 0.221 4.803 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.403 2.189 5.524 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.261 0.889 5.993 1.00 0.00 N ATOM 0 H HIS A 18 -19.356 -1.513 1.905 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.296 1.293 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.555 -0.069 2.093 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.721 1.644 1.761 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.199 3.274 3.843 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.541 -0.850 4.672 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.098 3.025 6.136 1.00 0.00 H new ATOM 250 N LYS A 19 -20.248 1.815 -0.217 1.00 0.00 N ATOM 251 CA LYS A 19 -20.430 2.065 -1.678 1.00 0.00 C ATOM 252 C LYS A 19 -19.576 3.282 -2.157 1.00 0.00 C ATOM 253 O LYS A 19 -19.812 4.429 -1.766 1.00 0.00 O ATOM 254 CB LYS A 19 -21.936 2.269 -1.997 1.00 0.00 C ATOM 255 CG LYS A 19 -22.842 1.033 -1.775 1.00 0.00 C ATOM 256 CD LYS A 19 -24.328 1.341 -2.033 1.00 0.00 C ATOM 257 CE LYS A 19 -25.218 0.103 -1.854 1.00 0.00 C ATOM 258 NZ LYS A 19 -26.626 0.456 -2.125 1.00 0.00 N ATOM 0 H LYS A 19 -20.653 2.538 0.377 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.076 1.192 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.311 3.087 -1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.029 2.583 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.521 0.227 -2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -22.720 0.675 -0.753 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -24.658 2.125 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.446 1.728 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -24.895 -0.689 -2.530 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.119 -0.284 -0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -27.225 -0.386 -2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -26.932 1.198 -1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -26.715 0.805 -3.101 1.00 0.00 H new ATOM 271 N LEU A 20 -18.620 3.040 -3.072 1.00 0.00 N ATOM 272 CA LEU A 20 -17.829 4.121 -3.746 1.00 0.00 C ATOM 273 C LEU A 20 -18.635 5.159 -4.595 1.00 0.00 C ATOM 274 O LEU A 20 -18.233 6.322 -4.647 1.00 0.00 O ATOM 275 CB LEU A 20 -16.745 3.466 -4.650 1.00 0.00 C ATOM 276 CG LEU A 20 -15.655 2.605 -3.963 1.00 0.00 C ATOM 277 CD1 LEU A 20 -14.841 1.854 -5.024 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.715 3.441 -3.077 1.00 0.00 C ATOM 0 H LEU A 20 -18.364 2.100 -3.373 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.408 4.703 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.254 2.840 -5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.245 4.261 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 20 -16.165 1.895 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.076 1.250 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.503 1.206 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.365 2.571 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.971 2.789 -2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.214 4.193 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.294 3.934 -2.296 1.00 0.00 H new ATOM 290 N ASP A 21 -19.757 4.793 -5.249 1.00 0.00 N ATOM 291 CA ASP A 21 -20.528 5.739 -6.119 1.00 0.00 C ATOM 292 C ASP A 21 -21.430 6.747 -5.316 1.00 0.00 C ATOM 293 O ASP A 21 -22.646 6.820 -5.513 1.00 0.00 O ATOM 294 CB ASP A 21 -21.318 4.904 -7.166 1.00 0.00 C ATOM 295 CG ASP A 21 -20.471 4.177 -8.211 1.00 0.00 C ATOM 296 OD1 ASP A 21 -20.037 4.708 -9.227 1.00 0.00 O ATOM 297 OD2 ASP A 21 -20.250 2.873 -7.885 1.00 0.00 O ATOM 0 H ASP A 21 -20.157 3.856 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.825 6.392 -6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.920 4.166 -6.636 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -22.011 5.567 -7.684 1.00 0.00 H new ATOM 302 N GLY A 22 -20.819 7.528 -4.403 1.00 0.00 N ATOM 303 CA GLY A 22 -21.527 8.511 -3.532 1.00 0.00 C ATOM 304 C GLY A 22 -22.747 8.074 -2.670 1.00 0.00 C ATOM 305 O GLY A 22 -23.608 8.910 -2.396 1.00 0.00 O ATOM 0 H GLY A 22 -19.812 7.501 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.786 8.928 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.863 9.325 -4.174 1.00 0.00 H new ATOM 309 N ASN A 23 -22.826 6.799 -2.248 1.00 0.00 N ATOM 310 CA ASN A 23 -24.023 6.229 -1.564 1.00 0.00 C ATOM 311 C ASN A 23 -23.677 5.678 -0.142 1.00 0.00 C ATOM 312 O ASN A 23 -22.634 5.060 0.091 1.00 0.00 O ATOM 313 CB ASN A 23 -24.647 5.131 -2.475 1.00 0.00 C ATOM 314 CG ASN A 23 -25.677 5.641 -3.487 1.00 0.00 C ATOM 315 OD1 ASN A 23 -26.870 5.687 -3.212 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.286 6.035 -4.673 1.00 0.00 N ATOM 0 H ASN A 23 -22.068 6.127 -2.367 1.00 0.00 H new ATOM 0 HA ASN A 23 -24.754 7.022 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -23.845 4.630 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.122 4.381 -1.842 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.971 6.373 -5.350 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.297 6.004 -4.920 1.00 0.00 H new ATOM 323 N ASP A 24 -24.591 5.911 0.811 1.00 0.00 N ATOM 324 CA ASP A 24 -24.366 5.638 2.258 1.00 0.00 C ATOM 325 C ASP A 24 -25.454 4.637 2.756 1.00 0.00 C ATOM 326 O ASP A 24 -26.646 4.964 2.745 1.00 0.00 O ATOM 327 CB ASP A 24 -24.422 6.998 3.013 1.00 0.00 C ATOM 328 CG ASP A 24 -23.226 7.924 2.781 1.00 0.00 C ATOM 329 OD1 ASP A 24 -23.308 8.611 1.608 1.00 0.00 O ATOM 330 OD2 ASP A 24 -22.279 8.015 3.554 1.00 0.00 O ATOM 0 H ASP A 24 -25.514 6.296 0.610 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.394 5.181 2.442 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.330 7.523 2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -24.504 6.799 4.081 1.00 0.00 H new ATOM 335 N GLY A 25 -25.056 3.416 3.163 1.00 0.00 N ATOM 336 CA GLY A 25 -26.023 2.335 3.512 1.00 0.00 C ATOM 337 C GLY A 25 -25.773 1.712 4.893 1.00 0.00 C ATOM 338 O GLY A 25 -26.160 2.284 5.914 1.00 0.00 O ATOM 0 H GLY A 25 -24.077 3.146 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.035 2.740 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -25.971 1.553 2.755 1.00 0.00 H new ATOM 342 N VAL A 26 -25.120 0.542 4.919 1.00 0.00 N ATOM 343 CA VAL A 26 -24.638 -0.089 6.195 1.00 0.00 C ATOM 344 C VAL A 26 -23.388 0.677 6.751 1.00 0.00 C ATOM 345 O VAL A 26 -23.441 1.170 7.879 1.00 0.00 O ATOM 346 CB VAL A 26 -24.427 -1.637 6.040 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.924 -2.331 7.330 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.690 -2.407 5.584 1.00 0.00 C ATOM 0 H VAL A 26 -24.905 -0.000 4.082 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.417 0.010 6.951 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.664 -1.686 5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.802 -3.398 7.145 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.966 -1.902 7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.649 -2.182 8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.459 -3.469 5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.486 -2.265 6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -26.015 -2.030 4.614 1.00 0.00 H new ATOM 358 N GLY A 27 -22.302 0.804 5.965 1.00 0.00 N ATOM 359 CA GLY A 27 -21.299 1.874 6.175 1.00 0.00 C ATOM 360 C GLY A 27 -21.450 3.102 5.223 1.00 0.00 C ATOM 361 O GLY A 27 -22.183 3.025 4.226 1.00 0.00 O ATOM 0 H GLY A 27 -22.094 0.184 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.367 2.220 7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.303 1.451 6.045 1.00 0.00 H new ATOM 365 N PRO A 28 -20.754 4.252 5.458 1.00 0.00 N ATOM 366 CA PRO A 28 -20.799 5.421 4.533 1.00 0.00 C ATOM 367 C PRO A 28 -20.086 5.223 3.152 1.00 0.00 C ATOM 368 O PRO A 28 -19.514 4.171 2.853 1.00 0.00 O ATOM 369 CB PRO A 28 -20.167 6.519 5.419 1.00 0.00 C ATOM 370 CG PRO A 28 -19.203 5.776 6.336 1.00 0.00 C ATOM 371 CD PRO A 28 -19.959 4.498 6.677 1.00 0.00 C ATOM 0 HA PRO A 28 -21.806 5.646 4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.645 7.262 4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.927 7.050 5.992 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.257 5.563 5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -18.970 6.356 7.229 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.281 3.672 6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.593 4.625 7.554 1.00 0.00 H new ATOM 379 N HIS A 29 -20.093 6.255 2.295 1.00 0.00 N ATOM 380 CA HIS A 29 -19.380 6.207 0.989 1.00 0.00 C ATOM 381 C HIS A 29 -17.827 6.338 1.151 1.00 0.00 C ATOM 382 O HIS A 29 -17.347 7.342 1.687 1.00 0.00 O ATOM 383 CB HIS A 29 -20.015 7.229 0.004 1.00 0.00 C ATOM 384 CG HIS A 29 -19.813 8.728 0.245 1.00 0.00 C ATOM 385 ND1 HIS A 29 -20.597 9.496 1.098 1.00 0.00 N ATOM 386 CD2 HIS A 29 -18.868 9.527 -0.415 1.00 0.00 C ATOM 387 CE1 HIS A 29 -20.016 10.722 0.879 1.00 0.00 C ATOM 388 NE2 HIS A 29 -18.972 10.839 0.003 1.00 0.00 N ATOM 0 H HIS A 29 -20.579 7.134 2.473 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.513 5.220 0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.635 7.003 -0.992 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.089 7.042 -0.015 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -21.372 9.229 1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.159 9.167 -1.146 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -20.384 11.594 1.399 1.00 0.00 H new ATOM 396 N LEU A 30 -17.031 5.357 0.683 1.00 0.00 N ATOM 397 CA LEU A 30 -15.526 5.454 0.720 1.00 0.00 C ATOM 398 C LEU A 30 -14.832 6.184 -0.494 1.00 0.00 C ATOM 399 O LEU A 30 -13.633 6.013 -0.730 1.00 0.00 O ATOM 400 CB LEU A 30 -14.931 4.040 0.998 1.00 0.00 C ATOM 401 CG LEU A 30 -15.211 3.418 2.391 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.703 1.970 2.460 1.00 0.00 C ATOM 403 CD2 LEU A 30 -14.603 4.206 3.565 1.00 0.00 C ATOM 0 H LEU A 30 -17.383 4.490 0.276 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.291 6.132 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.313 3.357 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.851 4.095 0.863 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.295 3.453 2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.912 1.558 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.208 1.371 1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.628 1.953 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.844 3.706 4.503 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.520 4.256 3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.013 5.216 3.577 1.00 0.00 H new ATOM 415 N ASN A 31 -15.561 7.060 -1.203 1.00 0.00 N ATOM 416 CA ASN A 31 -15.007 7.995 -2.215 1.00 0.00 C ATOM 417 C ASN A 31 -14.825 9.404 -1.560 1.00 0.00 C ATOM 418 O ASN A 31 -15.764 9.972 -0.990 1.00 0.00 O ATOM 419 CB ASN A 31 -15.990 7.957 -3.408 1.00 0.00 C ATOM 420 CG ASN A 31 -15.624 8.811 -4.622 1.00 0.00 C ATOM 421 OD1 ASN A 31 -14.477 8.883 -5.048 1.00 0.00 O ATOM 422 ND2 ASN A 31 -16.590 9.457 -5.232 1.00 0.00 N ATOM 0 H ASN A 31 -16.571 7.146 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.017 7.722 -2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.088 6.922 -3.736 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.971 8.273 -3.052 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.386 10.018 -6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -17.545 9.398 -4.879 1.00 0.00 H new ATOM 429 N GLY A 32 -13.597 9.934 -1.577 1.00 0.00 N ATOM 430 CA GLY A 32 -13.221 11.110 -0.741 1.00 0.00 C ATOM 431 C GLY A 32 -12.982 10.838 0.763 1.00 0.00 C ATOM 432 O GLY A 32 -13.468 11.604 1.598 1.00 0.00 O ATOM 0 H GLY A 32 -12.837 9.577 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.314 11.549 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.008 11.859 -0.832 1.00 0.00 H new ATOM 436 N VAL A 33 -12.269 9.748 1.100 1.00 0.00 N ATOM 437 CA VAL A 33 -11.991 9.337 2.515 1.00 0.00 C ATOM 438 C VAL A 33 -10.542 9.641 3.039 1.00 0.00 C ATOM 439 O VAL A 33 -10.405 9.975 4.219 1.00 0.00 O ATOM 440 CB VAL A 33 -12.481 7.867 2.755 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.656 6.776 2.039 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.589 7.514 4.257 1.00 0.00 C ATOM 0 H VAL A 33 -11.863 9.118 0.409 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.584 9.993 3.153 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.473 7.864 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.074 5.795 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.689 6.943 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.622 6.819 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.932 6.485 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.612 7.622 4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.299 8.186 4.739 1.00 0.00 H new ATOM 452 N VAL A 34 -9.464 9.535 2.231 1.00 0.00 N ATOM 453 CA VAL A 34 -8.066 9.809 2.703 1.00 0.00 C ATOM 454 C VAL A 34 -7.873 11.355 2.901 1.00 0.00 C ATOM 455 O VAL A 34 -8.009 12.139 1.956 1.00 0.00 O ATOM 456 CB VAL A 34 -6.974 9.169 1.775 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.541 9.329 2.341 1.00 0.00 C ATOM 458 CG2 VAL A 34 -7.170 7.660 1.506 1.00 0.00 C ATOM 0 H VAL A 34 -9.523 9.263 1.250 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.926 9.321 3.668 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.096 9.723 0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.827 8.868 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.308 10.388 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.478 8.843 3.315 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.372 7.300 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.143 7.116 2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.133 7.499 1.021 1.00 0.00 H new ATOM 468 N GLY A 35 -7.619 11.783 4.150 1.00 0.00 N ATOM 469 CA GLY A 35 -7.773 13.212 4.552 1.00 0.00 C ATOM 470 C GLY A 35 -9.119 13.666 5.182 1.00 0.00 C ATOM 471 O GLY A 35 -9.154 14.750 5.769 1.00 0.00 O ATOM 0 H GLY A 35 -7.307 11.170 4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.980 13.443 5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.597 13.825 3.668 1.00 0.00 H new ATOM 475 N ARG A 36 -10.207 12.881 5.091 1.00 0.00 N ATOM 476 CA ARG A 36 -11.555 13.249 5.609 1.00 0.00 C ATOM 477 C ARG A 36 -11.617 13.290 7.165 1.00 0.00 C ATOM 478 O ARG A 36 -11.105 12.391 7.833 1.00 0.00 O ATOM 479 CB ARG A 36 -12.542 12.192 5.048 1.00 0.00 C ATOM 480 CG ARG A 36 -14.046 12.454 5.321 1.00 0.00 C ATOM 481 CD ARG A 36 -14.935 11.212 5.171 1.00 0.00 C ATOM 482 NE ARG A 36 -15.166 10.870 3.746 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.863 9.829 3.304 1.00 0.00 C ATOM 484 NH1 ARG A 36 -16.378 8.899 4.070 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.036 9.715 2.025 1.00 0.00 N ATOM 0 H ARG A 36 -10.184 11.961 4.652 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.811 14.258 5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.395 12.123 3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.281 11.221 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.158 12.848 6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.400 13.226 4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.468 10.367 5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.892 11.388 5.662 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.754 11.487 3.046 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.255 8.945 5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.902 8.129 3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.642 10.412 1.393 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.566 8.928 1.650 1.00 0.00 H new ATOM 499 N THR A 37 -12.322 14.280 7.735 1.00 0.00 N ATOM 500 CA THR A 37 -12.635 14.330 9.196 1.00 0.00 C ATOM 501 C THR A 37 -13.356 13.039 9.726 1.00 0.00 C ATOM 502 O THR A 37 -14.180 12.429 9.034 1.00 0.00 O ATOM 503 CB THR A 37 -13.412 15.656 9.470 1.00 0.00 C ATOM 504 OG1 THR A 37 -12.623 16.779 9.077 1.00 0.00 O ATOM 505 CG2 THR A 37 -13.785 15.918 10.937 1.00 0.00 C ATOM 0 H THR A 37 -12.695 15.071 7.210 1.00 0.00 H new ATOM 0 HA THR A 37 -11.709 14.337 9.771 1.00 0.00 H new ATOM 0 HB THR A 37 -14.331 15.533 8.896 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.708 16.669 9.410 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.321 16.864 11.013 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.421 15.111 11.300 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.878 15.965 11.540 1.00 0.00 H new ATOM 513 N VAL A 38 -13.023 12.612 10.957 1.00 0.00 N ATOM 514 CA VAL A 38 -13.652 11.419 11.603 1.00 0.00 C ATOM 515 C VAL A 38 -15.149 11.743 11.966 1.00 0.00 C ATOM 516 O VAL A 38 -15.443 12.762 12.597 1.00 0.00 O ATOM 517 CB VAL A 38 -12.788 10.906 12.807 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.377 9.632 13.450 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.323 10.549 12.446 1.00 0.00 C ATOM 0 H VAL A 38 -12.320 13.070 11.536 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.677 10.583 10.903 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.802 11.756 13.489 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.743 9.316 14.279 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.380 9.842 13.820 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.424 8.837 12.706 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.802 10.204 13.339 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.316 9.760 11.694 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.820 11.432 12.051 1.00 0.00 H new ATOM 529 N ALA A 39 -16.085 10.905 11.471 1.00 0.00 N ATOM 530 CA ALA A 39 -17.530 11.267 11.307 1.00 0.00 C ATOM 531 C ALA A 39 -17.911 12.362 10.240 1.00 0.00 C ATOM 532 O ALA A 39 -19.026 12.893 10.263 1.00 0.00 O ATOM 533 CB ALA A 39 -18.223 11.475 12.672 1.00 0.00 C ATOM 0 H ALA A 39 -15.871 9.954 11.170 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.944 10.379 10.830 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.269 11.736 12.513 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.163 10.556 13.254 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.726 12.280 13.213 1.00 0.00 H new ATOM 539 N GLY A 40 -17.053 12.646 9.242 1.00 0.00 N ATOM 540 CA GLY A 40 -17.270 13.739 8.256 1.00 0.00 C ATOM 541 C GLY A 40 -18.069 13.379 6.987 1.00 0.00 C ATOM 542 O GLY A 40 -17.629 13.656 5.870 1.00 0.00 O ATOM 0 H GLY A 40 -16.187 12.128 9.091 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.785 14.556 8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.295 14.118 7.948 1.00 0.00 H new ATOM 546 N VAL A 41 -19.264 12.812 7.183 1.00 0.00 N ATOM 547 CA VAL A 41 -20.327 12.754 6.132 1.00 0.00 C ATOM 548 C VAL A 41 -21.664 13.192 6.810 1.00 0.00 C ATOM 549 O VAL A 41 -22.304 12.403 7.517 1.00 0.00 O ATOM 550 CB VAL A 41 -20.448 11.364 5.407 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.555 11.356 4.324 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.149 10.900 4.712 1.00 0.00 C ATOM 0 H VAL A 41 -19.537 12.378 8.065 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.060 13.432 5.321 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.688 10.680 6.221 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -21.597 10.373 3.854 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.517 11.579 4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.331 12.110 3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.316 9.934 4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.859 11.631 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.354 10.807 5.452 1.00 0.00 H new ATOM 562 N ASP A 42 -22.121 14.429 6.538 1.00 0.00 N ATOM 563 CA ASP A 42 -23.450 14.922 7.004 1.00 0.00 C ATOM 564 C ASP A 42 -24.595 14.291 6.144 1.00 0.00 C ATOM 565 O ASP A 42 -24.791 14.643 4.977 1.00 0.00 O ATOM 566 CB ASP A 42 -23.479 16.475 6.958 1.00 0.00 C ATOM 567 CG ASP A 42 -22.526 17.181 7.925 1.00 0.00 C ATOM 568 OD1 ASP A 42 -23.090 17.392 9.152 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.383 17.507 7.621 1.00 0.00 O ATOM 0 H ASP A 42 -21.594 15.114 5.997 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.613 14.614 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.242 16.795 5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.495 16.808 7.169 1.00 0.00 H new ATOM 574 N GLY A 43 -25.289 13.299 6.718 1.00 0.00 N ATOM 575 CA GLY A 43 -26.070 12.314 5.922 1.00 0.00 C ATOM 576 C GLY A 43 -26.073 10.887 6.512 1.00 0.00 C ATOM 577 O GLY A 43 -27.145 10.304 6.683 1.00 0.00 O ATOM 0 H GLY A 43 -25.332 13.149 7.726 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.099 12.664 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.664 12.277 4.911 1.00 0.00 H new ATOM 581 N PHE A 44 -24.889 10.325 6.825 1.00 0.00 N ATOM 582 CA PHE A 44 -24.791 9.042 7.574 1.00 0.00 C ATOM 583 C PHE A 44 -24.850 9.293 9.121 1.00 0.00 C ATOM 584 O PHE A 44 -24.109 10.120 9.664 1.00 0.00 O ATOM 585 CB PHE A 44 -23.495 8.311 7.122 1.00 0.00 C ATOM 586 CG PHE A 44 -23.339 6.885 7.685 1.00 0.00 C ATOM 587 CD1 PHE A 44 -23.925 5.788 7.044 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.666 6.688 8.895 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.842 4.518 7.609 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.593 5.422 9.466 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.177 4.337 8.819 1.00 0.00 C ATOM 0 H PHE A 44 -23.987 10.731 6.575 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.642 8.399 7.349 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.481 8.262 6.033 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.633 8.905 7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.444 5.927 6.107 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.199 7.526 9.390 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.293 3.674 7.109 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.085 5.281 10.408 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.114 3.352 9.257 1.00 0.00 H new ATOM 601 N ASN A 45 -25.701 8.532 9.835 1.00 0.00 N ATOM 602 CA ASN A 45 -25.792 8.604 11.319 1.00 0.00 C ATOM 603 C ASN A 45 -24.678 7.743 12.007 1.00 0.00 C ATOM 604 O ASN A 45 -24.864 6.556 12.284 1.00 0.00 O ATOM 605 CB ASN A 45 -27.237 8.195 11.713 1.00 0.00 C ATOM 606 CG ASN A 45 -27.601 8.466 13.168 1.00 0.00 C ATOM 607 OD1 ASN A 45 -27.993 9.562 13.550 1.00 0.00 O ATOM 608 ND2 ASN A 45 -27.481 7.493 14.027 1.00 0.00 N ATOM 0 H ASN A 45 -26.339 7.857 9.414 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.605 9.617 11.677 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -27.939 8.728 11.072 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.367 7.132 11.512 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -27.713 7.647 15.008 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -27.155 6.577 13.718 1.00 0.00 H new ATOM 615 N TYR A 46 -23.535 8.375 12.311 1.00 0.00 N ATOM 616 CA TYR A 46 -22.386 7.710 12.986 1.00 0.00 C ATOM 617 C TYR A 46 -22.623 7.400 14.505 1.00 0.00 C ATOM 618 O TYR A 46 -23.413 8.070 15.179 1.00 0.00 O ATOM 619 CB TYR A 46 -21.135 8.623 12.805 1.00 0.00 C ATOM 620 CG TYR A 46 -20.561 8.725 11.381 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.668 7.757 10.915 1.00 0.00 C ATOM 622 CD2 TYR A 46 -20.913 9.792 10.546 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.119 7.862 9.641 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.376 9.886 9.264 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.470 8.929 8.817 1.00 0.00 C ATOM 626 OH TYR A 46 -18.894 9.054 7.582 1.00 0.00 O ATOM 0 H TYR A 46 -23.371 9.359 12.101 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.245 6.735 12.519 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.394 9.627 13.142 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.348 8.258 13.465 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.402 6.923 11.547 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.603 10.545 10.897 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.421 7.116 9.291 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.663 10.702 8.617 1.00 0.00 H new ATOM 0 HH TYR A 46 -18.553 9.966 7.471 1.00 0.00 H new ATOM 636 N SER A 47 -21.886 6.417 15.067 1.00 0.00 N ATOM 637 CA SER A 47 -21.861 6.190 16.545 1.00 0.00 C ATOM 638 C SER A 47 -21.217 7.370 17.346 1.00 0.00 C ATOM 639 O SER A 47 -20.254 7.994 16.890 1.00 0.00 O ATOM 640 CB SER A 47 -21.209 4.821 16.891 1.00 0.00 C ATOM 641 OG SER A 47 -19.776 4.836 16.868 1.00 0.00 O ATOM 0 H SER A 47 -21.304 5.770 14.535 1.00 0.00 H new ATOM 0 HA SER A 47 -22.901 6.157 16.869 1.00 0.00 H new ATOM 0 HB2 SER A 47 -21.543 4.511 17.881 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.566 4.071 16.185 1.00 0.00 H new ATOM 0 HG SER A 47 -19.431 4.270 17.590 1.00 0.00 H new ATOM 647 N ASP A 48 -21.731 7.658 18.557 1.00 0.00 N ATOM 648 CA ASP A 48 -21.196 8.751 19.430 1.00 0.00 C ATOM 649 C ASP A 48 -19.641 8.756 19.699 1.00 0.00 C ATOM 650 O ASP A 48 -19.068 9.840 19.566 1.00 0.00 O ATOM 651 CB ASP A 48 -22.033 8.858 20.733 1.00 0.00 C ATOM 652 CG ASP A 48 -23.476 9.319 20.520 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.577 10.671 20.403 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.428 8.551 20.434 1.00 0.00 O ATOM 0 H ASP A 48 -22.519 7.154 18.965 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.319 9.659 18.840 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -22.044 7.885 21.225 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.539 9.553 21.412 1.00 0.00 H new ATOM 659 N PRO A 49 -18.903 7.639 19.981 1.00 0.00 N ATOM 660 CA PRO A 49 -17.410 7.621 19.950 1.00 0.00 C ATOM 661 C PRO A 49 -16.675 7.959 18.614 1.00 0.00 C ATOM 662 O PRO A 49 -15.592 8.543 18.659 1.00 0.00 O ATOM 663 CB PRO A 49 -17.077 6.202 20.452 1.00 0.00 C ATOM 664 CG PRO A 49 -18.346 5.703 21.143 1.00 0.00 C ATOM 665 CD PRO A 49 -19.484 6.343 20.365 1.00 0.00 C ATOM 0 HA PRO A 49 -17.037 8.446 20.557 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.798 5.549 19.625 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.235 6.218 21.143 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.410 4.615 21.116 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.368 5.998 22.192 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.768 5.750 19.496 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.379 6.462 20.976 1.00 0.00 H new ATOM 673 N MET A 50 -17.252 7.627 17.443 1.00 0.00 N ATOM 674 CA MET A 50 -16.821 8.210 16.137 1.00 0.00 C ATOM 675 C MET A 50 -17.120 9.741 15.977 1.00 0.00 C ATOM 676 O MET A 50 -16.250 10.480 15.509 1.00 0.00 O ATOM 677 CB MET A 50 -17.454 7.333 15.024 1.00 0.00 C ATOM 678 CG MET A 50 -16.920 7.568 13.597 1.00 0.00 C ATOM 679 SD MET A 50 -15.225 6.981 13.424 1.00 0.00 S ATOM 680 CE MET A 50 -15.498 5.288 12.878 1.00 0.00 C ATOM 0 H MET A 50 -18.019 6.959 17.364 1.00 0.00 H new ATOM 0 HA MET A 50 -15.733 8.184 16.069 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.299 6.285 15.281 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.530 7.504 15.021 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.559 7.055 12.879 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.964 8.631 13.361 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.566 4.875 12.493 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.842 4.686 13.719 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.252 5.277 12.091 1.00 0.00 H new ATOM 690 N LYS A 51 -18.311 10.222 16.386 1.00 0.00 N ATOM 691 CA LYS A 51 -18.643 11.681 16.415 1.00 0.00 C ATOM 692 C LYS A 51 -17.762 12.535 17.388 1.00 0.00 C ATOM 693 O LYS A 51 -17.225 13.564 16.971 1.00 0.00 O ATOM 694 CB LYS A 51 -20.162 11.884 16.683 1.00 0.00 C ATOM 695 CG LYS A 51 -21.125 11.294 15.621 1.00 0.00 C ATOM 696 CD LYS A 51 -22.612 11.670 15.797 1.00 0.00 C ATOM 697 CE LYS A 51 -23.268 11.076 17.054 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.708 11.392 17.089 1.00 0.00 N ATOM 0 H LYS A 51 -19.073 9.624 16.706 1.00 0.00 H new ATOM 0 HA LYS A 51 -18.397 12.064 15.424 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -20.403 11.440 17.649 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.356 12.953 16.766 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.798 11.624 14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.037 10.208 15.639 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.699 12.756 15.834 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.166 11.336 14.920 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.127 9.995 17.068 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.782 11.472 17.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.133 10.982 17.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.837 12.424 17.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.172 10.993 16.248 1.00 0.00 H new ATOM 711 N ALA A 52 -17.578 12.102 18.649 1.00 0.00 N ATOM 712 CA ALA A 52 -16.633 12.747 19.601 1.00 0.00 C ATOM 713 C ALA A 52 -15.137 12.257 19.565 1.00 0.00 C ATOM 714 O ALA A 52 -14.434 12.380 20.573 1.00 0.00 O ATOM 715 CB ALA A 52 -17.301 12.550 20.980 1.00 0.00 C ATOM 0 H ALA A 52 -18.073 11.301 19.042 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.493 13.792 19.325 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.676 12.995 21.754 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -18.279 13.031 20.983 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -17.420 11.485 21.178 1.00 0.00 H new ATOM 721 N HIS A 53 -14.612 11.770 18.419 1.00 0.00 N ATOM 722 CA HIS A 53 -13.192 11.327 18.301 1.00 0.00 C ATOM 723 C HIS A 53 -12.161 12.505 18.193 1.00 0.00 C ATOM 724 O HIS A 53 -11.283 12.617 19.052 1.00 0.00 O ATOM 725 CB HIS A 53 -13.109 10.300 17.135 1.00 0.00 C ATOM 726 CG HIS A 53 -11.814 9.490 17.093 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.751 9.774 16.247 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.538 8.358 17.879 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.902 8.762 16.616 1.00 0.00 C ATOM 730 NE2 HIS A 53 -10.283 7.864 17.579 1.00 0.00 N ATOM 0 H HIS A 53 -15.147 11.671 17.556 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.889 10.841 19.228 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.950 9.612 17.214 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.220 10.832 16.190 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.210 7.935 18.612 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.933 8.673 16.148 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.784 7.062 17.963 1.00 0.00 H new ATOM 738 N GLY A 54 -12.250 13.354 17.150 1.00 0.00 N ATOM 739 CA GLY A 54 -11.287 14.468 16.935 1.00 0.00 C ATOM 740 C GLY A 54 -10.058 14.100 16.082 1.00 0.00 C ATOM 741 O GLY A 54 -9.016 13.704 16.607 1.00 0.00 O ATOM 0 H GLY A 54 -12.978 13.294 16.438 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.810 15.295 16.456 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.945 14.827 17.906 1.00 0.00 H new ATOM 745 N GLY A 55 -10.189 14.270 14.765 1.00 0.00 N ATOM 746 CA GLY A 55 -9.094 13.976 13.807 1.00 0.00 C ATOM 747 C GLY A 55 -9.533 13.864 12.331 1.00 0.00 C ATOM 748 O GLY A 55 -10.709 14.017 11.985 1.00 0.00 O ATOM 0 H GLY A 55 -11.043 14.611 14.325 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.340 14.759 13.888 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.616 13.042 14.100 1.00 0.00 H new ATOM 752 N ASP A 56 -8.560 13.559 11.458 1.00 0.00 N ATOM 753 CA ASP A 56 -8.814 13.250 10.018 1.00 0.00 C ATOM 754 C ASP A 56 -8.149 11.895 9.604 1.00 0.00 C ATOM 755 O ASP A 56 -7.165 11.434 10.197 1.00 0.00 O ATOM 756 CB ASP A 56 -8.346 14.422 9.103 1.00 0.00 C ATOM 757 CG ASP A 56 -9.227 15.685 9.111 1.00 0.00 C ATOM 758 OD1 ASP A 56 -9.580 16.265 10.134 1.00 0.00 O ATOM 759 OD2 ASP A 56 -9.594 16.093 7.857 1.00 0.00 O ATOM 0 H ASP A 56 -7.574 13.516 11.717 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.890 13.138 9.883 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.337 14.707 9.400 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.285 14.054 8.079 1.00 0.00 H new ATOM 764 N TRP A 57 -8.691 11.258 8.549 1.00 0.00 N ATOM 765 CA TRP A 57 -8.296 9.882 8.136 1.00 0.00 C ATOM 766 C TRP A 57 -7.000 9.857 7.265 1.00 0.00 C ATOM 767 O TRP A 57 -7.022 9.717 6.038 1.00 0.00 O ATOM 768 CB TRP A 57 -9.512 9.189 7.456 1.00 0.00 C ATOM 769 CG TRP A 57 -10.613 8.678 8.398 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.943 9.148 8.453 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.529 7.691 9.370 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.698 8.461 9.422 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.799 7.578 9.988 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.434 6.915 9.839 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.980 6.712 11.090 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.636 6.069 10.927 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.888 5.977 11.550 1.00 0.00 C ATOM 0 H TRP A 57 -9.411 11.672 7.957 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.028 9.310 9.024 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.960 9.893 6.755 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.143 8.347 6.870 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.333 9.938 7.828 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.683 8.586 9.653 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.467 6.980 9.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.945 6.621 11.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.814 5.474 11.297 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -11.009 5.325 12.402 1.00 0.00 H new ATOM 788 N THR A 58 -5.857 9.960 7.952 1.00 0.00 N ATOM 789 CA THR A 58 -4.499 9.819 7.350 1.00 0.00 C ATOM 790 C THR A 58 -4.116 8.322 7.046 1.00 0.00 C ATOM 791 O THR A 58 -4.672 7.427 7.696 1.00 0.00 O ATOM 792 CB THR A 58 -3.451 10.489 8.303 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.474 9.913 9.605 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.605 12.010 8.477 1.00 0.00 C ATOM 0 H THR A 58 -5.834 10.146 8.955 1.00 0.00 H new ATOM 0 HA THR A 58 -4.501 10.325 6.384 1.00 0.00 H new ATOM 0 HB THR A 58 -2.504 10.300 7.797 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.806 10.355 10.170 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.834 12.379 9.154 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.502 12.499 7.508 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.588 12.231 8.892 1.00 0.00 H new ATOM 802 N PRO A 59 -3.162 7.970 6.125 1.00 0.00 N ATOM 803 CA PRO A 59 -2.695 6.557 5.937 1.00 0.00 C ATOM 804 C PRO A 59 -2.237 5.772 7.211 1.00 0.00 C ATOM 805 O PRO A 59 -2.689 4.650 7.447 1.00 0.00 O ATOM 806 CB PRO A 59 -1.593 6.711 4.869 1.00 0.00 C ATOM 807 CG PRO A 59 -1.170 8.180 4.891 1.00 0.00 C ATOM 808 CD PRO A 59 -2.446 8.933 5.260 1.00 0.00 C ATOM 0 HA PRO A 59 -3.524 5.913 5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.747 6.060 5.088 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.965 6.429 3.884 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.379 8.356 5.620 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.786 8.498 3.922 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.228 9.863 5.785 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.030 9.195 4.378 1.00 0.00 H new ATOM 816 N GLU A 60 -1.409 6.412 8.050 1.00 0.00 N ATOM 817 CA GLU A 60 -1.117 5.965 9.446 1.00 0.00 C ATOM 818 C GLU A 60 -2.344 5.668 10.387 1.00 0.00 C ATOM 819 O GLU A 60 -2.387 4.595 10.998 1.00 0.00 O ATOM 820 CB GLU A 60 -0.042 6.902 10.066 1.00 0.00 C ATOM 821 CG GLU A 60 -0.476 8.360 10.361 1.00 0.00 C ATOM 822 CD GLU A 60 0.652 9.273 10.830 1.00 0.00 C ATOM 823 OE1 GLU A 60 0.954 9.084 12.149 1.00 0.00 O ATOM 824 OE2 GLU A 60 1.211 10.084 10.098 1.00 0.00 O ATOM 0 H GLU A 60 -0.912 7.264 7.789 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.716 4.955 9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.303 6.454 10.998 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.814 6.932 9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.918 8.784 9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.256 8.347 11.122 1.00 0.00 H new ATOM 831 N ALA A 61 -3.343 6.570 10.477 1.00 0.00 N ATOM 832 CA ALA A 61 -4.629 6.293 11.179 1.00 0.00 C ATOM 833 C ALA A 61 -5.547 5.207 10.523 1.00 0.00 C ATOM 834 O ALA A 61 -6.051 4.330 11.231 1.00 0.00 O ATOM 835 CB ALA A 61 -5.353 7.643 11.344 1.00 0.00 C ATOM 0 H ALA A 61 -3.290 7.505 10.072 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.391 5.840 12.141 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.303 7.486 11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.732 8.319 11.931 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.537 8.080 10.362 1.00 0.00 H new ATOM 841 N LEU A 62 -5.729 5.232 9.186 1.00 0.00 N ATOM 842 CA LEU A 62 -6.402 4.143 8.423 1.00 0.00 C ATOM 843 C LEU A 62 -5.755 2.728 8.567 1.00 0.00 C ATOM 844 O LEU A 62 -6.495 1.787 8.846 1.00 0.00 O ATOM 845 CB LEU A 62 -6.517 4.553 6.925 1.00 0.00 C ATOM 846 CG LEU A 62 -7.521 5.683 6.576 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.242 6.236 5.170 1.00 0.00 C ATOM 848 CD2 LEU A 62 -8.983 5.202 6.649 1.00 0.00 C ATOM 0 H LEU A 62 -5.416 6.005 8.599 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.390 4.033 8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.529 4.860 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.792 3.667 6.352 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.382 6.469 7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.956 7.028 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.230 6.638 5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.342 5.435 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.650 6.026 6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.133 4.385 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.202 4.854 7.659 1.00 0.00 H new ATOM 860 N GLN A 63 -4.425 2.540 8.425 1.00 0.00 N ATOM 861 CA GLN A 63 -3.776 1.213 8.672 1.00 0.00 C ATOM 862 C GLN A 63 -3.896 0.634 10.124 1.00 0.00 C ATOM 863 O GLN A 63 -4.101 -0.573 10.280 1.00 0.00 O ATOM 864 CB GLN A 63 -2.335 1.184 8.099 1.00 0.00 C ATOM 865 CG GLN A 63 -1.232 1.916 8.906 1.00 0.00 C ATOM 866 CD GLN A 63 0.168 1.890 8.279 1.00 0.00 C ATOM 867 OE1 GLN A 63 0.430 1.327 7.221 1.00 0.00 O ATOM 868 NE2 GLN A 63 1.130 2.492 8.934 1.00 0.00 N ATOM 0 H GLN A 63 -3.777 3.276 8.144 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.377 0.499 8.110 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.037 0.141 7.990 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.362 1.614 7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.533 2.955 9.040 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.175 1.470 9.899 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.929 2.965 9.815 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.080 2.488 8.563 1.00 0.00 H new ATOM 877 N GLU A 64 -3.821 1.466 11.178 1.00 0.00 N ATOM 878 CA GLU A 64 -4.178 1.057 12.564 1.00 0.00 C ATOM 879 C GLU A 64 -5.699 0.725 12.775 1.00 0.00 C ATOM 880 O GLU A 64 -6.009 -0.316 13.360 1.00 0.00 O ATOM 881 CB GLU A 64 -3.642 2.160 13.516 1.00 0.00 C ATOM 882 CG GLU A 64 -2.106 2.386 13.494 1.00 0.00 C ATOM 883 CD GLU A 64 -1.267 1.297 14.159 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.238 1.426 15.518 1.00 0.00 O ATOM 885 OE2 GLU A 64 -0.692 0.413 13.531 1.00 0.00 O ATOM 0 H GLU A 64 -3.514 2.436 11.103 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.705 0.101 12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.132 3.100 13.264 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.939 1.909 14.535 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.786 2.483 12.456 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.890 3.335 13.984 1.00 0.00 H new ATOM 892 N PHE A 65 -6.638 1.548 12.260 1.00 0.00 N ATOM 893 CA PHE A 65 -8.094 1.225 12.237 1.00 0.00 C ATOM 894 C PHE A 65 -8.494 -0.009 11.356 1.00 0.00 C ATOM 895 O PHE A 65 -9.284 -0.836 11.805 1.00 0.00 O ATOM 896 CB PHE A 65 -8.807 2.544 11.831 1.00 0.00 C ATOM 897 CG PHE A 65 -10.346 2.507 11.847 1.00 0.00 C ATOM 898 CD1 PHE A 65 -11.059 2.620 13.047 1.00 0.00 C ATOM 899 CD2 PHE A 65 -11.048 2.359 10.647 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.450 2.569 13.045 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.439 2.312 10.651 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.140 2.412 11.847 1.00 0.00 C ATOM 0 H PHE A 65 -6.416 2.454 11.848 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.414 0.885 13.222 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.475 3.336 12.502 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.480 2.818 10.828 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.527 2.747 13.978 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.509 2.281 9.714 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.994 2.651 13.974 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.976 2.197 9.721 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.219 2.368 11.846 1.00 0.00 H new ATOM 912 N LEU A 66 -7.950 -0.180 10.139 1.00 0.00 N ATOM 913 CA LEU A 66 -8.091 -1.448 9.362 1.00 0.00 C ATOM 914 C LEU A 66 -7.313 -2.691 9.922 1.00 0.00 C ATOM 915 O LEU A 66 -7.673 -3.816 9.576 1.00 0.00 O ATOM 916 CB LEU A 66 -7.760 -1.183 7.865 1.00 0.00 C ATOM 917 CG LEU A 66 -8.606 -0.118 7.110 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.107 0.039 5.663 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.112 -0.429 7.115 1.00 0.00 C ATOM 0 H LEU A 66 -7.406 0.538 9.662 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.134 -1.743 9.473 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.713 -0.885 7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.856 -2.127 7.329 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.473 0.820 7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.710 0.788 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.064 0.356 5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.193 -0.915 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.646 0.351 6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.286 -1.391 6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.472 -0.468 8.143 1.00 0.00 H new ATOM 931 N THR A 67 -6.308 -2.526 10.807 1.00 0.00 N ATOM 932 CA THR A 67 -5.797 -3.630 11.678 1.00 0.00 C ATOM 933 C THR A 67 -6.808 -4.007 12.819 1.00 0.00 C ATOM 934 O THR A 67 -7.187 -5.175 12.920 1.00 0.00 O ATOM 935 CB THR A 67 -4.375 -3.298 12.241 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.493 -2.846 11.220 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.670 -4.509 12.876 1.00 0.00 C ATOM 0 H THR A 67 -5.826 -1.638 10.945 1.00 0.00 H new ATOM 0 HA THR A 67 -5.701 -4.515 11.049 1.00 0.00 H new ATOM 0 HB THR A 67 -4.566 -2.530 12.990 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.785 -1.967 10.901 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.690 -4.207 13.245 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.270 -4.886 13.705 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.550 -5.293 12.129 1.00 0.00 H new ATOM 945 N ASN A 68 -7.219 -3.047 13.673 1.00 0.00 N ATOM 946 CA ASN A 68 -8.212 -3.280 14.754 1.00 0.00 C ATOM 947 C ASN A 68 -9.125 -2.005 14.864 1.00 0.00 C ATOM 948 O ASN A 68 -8.669 -1.007 15.442 1.00 0.00 O ATOM 949 CB ASN A 68 -7.451 -3.628 16.066 1.00 0.00 C ATOM 950 CG ASN A 68 -8.331 -4.032 17.261 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.495 -3.667 17.398 1.00 0.00 O ATOM 952 ND2 ASN A 68 -7.793 -4.774 18.198 1.00 0.00 N ATOM 0 H ASN A 68 -6.875 -2.087 13.637 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.867 -4.125 14.543 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.758 -4.443 15.857 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.851 -2.766 16.356 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.340 -5.036 19.018 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -6.827 -5.090 18.107 1.00 0.00 H new ATOM 959 N PRO A 69 -10.406 -1.986 14.383 1.00 0.00 N ATOM 960 CA PRO A 69 -11.290 -0.789 14.498 1.00 0.00 C ATOM 961 C PRO A 69 -11.571 -0.211 15.921 1.00 0.00 C ATOM 962 O PRO A 69 -11.521 1.007 16.109 1.00 0.00 O ATOM 963 CB PRO A 69 -12.561 -1.225 13.741 1.00 0.00 C ATOM 964 CG PRO A 69 -12.081 -2.285 12.752 1.00 0.00 C ATOM 965 CD PRO A 69 -10.965 -3.025 13.492 1.00 0.00 C ATOM 0 HA PRO A 69 -10.788 0.083 14.079 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.308 -1.630 14.423 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -13.023 -0.383 13.225 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -12.889 -2.962 12.473 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.713 -1.831 11.832 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.350 -3.875 14.056 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.214 -3.413 12.804 1.00 0.00 H new ATOM 973 N LYS A 70 -11.822 -1.087 16.912 1.00 0.00 N ATOM 974 CA LYS A 70 -12.019 -0.688 18.338 1.00 0.00 C ATOM 975 C LYS A 70 -10.751 -0.262 19.153 1.00 0.00 C ATOM 976 O LYS A 70 -10.892 0.440 20.158 1.00 0.00 O ATOM 977 CB LYS A 70 -12.836 -1.789 19.077 1.00 0.00 C ATOM 978 CG LYS A 70 -14.327 -1.923 18.667 1.00 0.00 C ATOM 979 CD LYS A 70 -14.600 -2.980 17.571 1.00 0.00 C ATOM 980 CE LYS A 70 -16.003 -2.915 16.939 1.00 0.00 C ATOM 981 NZ LYS A 70 -17.073 -3.300 17.881 1.00 0.00 N ATOM 0 H LYS A 70 -11.896 -2.093 16.758 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.575 0.248 18.284 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.347 -2.749 18.911 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.791 -1.589 20.148 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -14.912 -2.176 19.551 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -14.682 -0.954 18.316 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.857 -2.864 16.782 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.457 -3.972 18.000 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.188 -1.903 16.580 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -16.036 -3.572 16.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.995 -3.238 17.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.916 -4.276 18.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -17.063 -2.658 18.699 1.00 0.00 H new ATOM 994 N ALA A 71 -9.528 -0.621 18.728 1.00 0.00 N ATOM 995 CA ALA A 71 -8.281 0.016 19.240 1.00 0.00 C ATOM 996 C ALA A 71 -8.103 1.533 18.888 1.00 0.00 C ATOM 997 O ALA A 71 -7.720 2.313 19.763 1.00 0.00 O ATOM 998 CB ALA A 71 -7.094 -0.838 18.759 1.00 0.00 C ATOM 0 H ALA A 71 -9.366 -1.348 18.031 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.341 0.034 20.328 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.162 -0.400 19.116 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.192 -1.851 19.150 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.086 -0.869 17.669 1.00 0.00 H new ATOM 1004 N VAL A 72 -8.399 1.955 17.642 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.413 3.400 17.251 1.00 0.00 C ATOM 1006 C VAL A 72 -9.741 4.116 17.684 1.00 0.00 C ATOM 1007 O VAL A 72 -9.662 5.109 18.414 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.023 3.570 15.740 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -8.124 5.025 15.218 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.588 3.082 15.436 1.00 0.00 C ATOM 0 H VAL A 72 -8.634 1.321 16.878 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.640 3.927 17.810 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.760 2.952 15.226 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.838 5.055 14.167 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.149 5.380 15.325 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.456 5.665 15.794 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.372 3.223 14.377 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.876 3.654 16.031 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.503 2.024 15.686 1.00 0.00 H new ATOM 1020 N VAL A 73 -10.933 3.667 17.236 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.235 4.288 17.632 1.00 0.00 C ATOM 1022 C VAL A 73 -12.965 3.286 18.587 1.00 0.00 C ATOM 1023 O VAL A 73 -13.713 2.411 18.135 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.100 4.689 16.384 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.405 5.417 16.785 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.391 5.583 15.339 1.00 0.00 C ATOM 0 H VAL A 73 -11.030 2.876 16.599 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.063 5.227 18.159 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.302 3.722 15.923 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.969 5.674 15.888 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.007 4.764 17.417 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.160 6.327 17.333 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -13.077 5.800 14.520 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.081 6.516 15.809 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.515 5.064 14.950 1.00 0.00 H new ATOM 1036 N LYS A 74 -12.766 3.419 19.913 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.355 2.474 20.905 1.00 0.00 C ATOM 1038 C LYS A 74 -14.883 2.728 21.117 1.00 0.00 C ATOM 1039 O LYS A 74 -15.299 3.765 21.641 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.507 2.516 22.201 1.00 0.00 C ATOM 1041 CG LYS A 74 -12.812 1.359 23.186 1.00 0.00 C ATOM 1042 CD LYS A 74 -11.743 1.142 24.283 1.00 0.00 C ATOM 1043 CE LYS A 74 -10.585 0.184 23.930 1.00 0.00 C ATOM 1044 NZ LYS A 74 -9.645 0.735 22.934 1.00 0.00 N ATOM 0 H LYS A 74 -12.207 4.164 20.328 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.312 1.453 20.525 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.451 2.484 21.934 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.680 3.466 22.706 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.771 1.553 23.666 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.921 0.436 22.617 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.318 2.111 24.543 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.241 0.763 25.175 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.036 -0.060 24.840 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.000 -0.749 23.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.747 0.211 22.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.054 0.643 21.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.470 1.739 23.140 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.707 1.781 20.643 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.161 2.018 20.413 1.00 0.00 C ATOM 1059 C GLY A 75 -17.598 2.554 19.018 1.00 0.00 C ATOM 1060 O GLY A 75 -18.617 3.244 18.893 1.00 0.00 O ATOM 0 H GLY A 75 -15.400 0.837 20.407 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.685 1.079 20.590 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.508 2.724 21.167 1.00 0.00 H new ATOM 1064 N THR A 76 -16.894 2.154 17.948 1.00 0.00 N ATOM 1065 CA THR A 76 -17.418 2.213 16.558 1.00 0.00 C ATOM 1066 C THR A 76 -18.491 1.104 16.303 1.00 0.00 C ATOM 1067 O THR A 76 -18.274 -0.068 16.630 1.00 0.00 O ATOM 1068 CB THR A 76 -16.241 2.151 15.533 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.741 2.300 14.212 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.371 0.880 15.497 1.00 0.00 C ATOM 0 H THR A 76 -15.947 1.780 18.012 1.00 0.00 H new ATOM 0 HA THR A 76 -17.926 3.167 16.418 1.00 0.00 H new ATOM 0 HB THR A 76 -15.599 2.958 15.886 1.00 0.00 H new ATOM 0 HG1 THR A 76 -17.372 3.049 14.184 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.598 0.989 14.736 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.903 0.732 16.470 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.995 0.019 15.259 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.619 1.447 15.652 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.573 0.414 15.130 1.00 0.00 C ATOM 1080 C LYS A 77 -20.153 -0.363 13.821 1.00 0.00 C ATOM 1081 O LYS A 77 -20.984 -1.052 13.222 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.001 1.030 15.085 1.00 0.00 C ATOM 1083 CG LYS A 77 -22.307 2.023 13.940 1.00 0.00 C ATOM 1084 CD LYS A 77 -23.743 2.582 14.012 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.144 3.427 12.791 1.00 0.00 C ATOM 1086 NZ LYS A 77 -24.477 2.578 11.628 1.00 0.00 N ATOM 0 H LYS A 77 -19.901 2.410 15.470 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.551 -0.412 15.841 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.720 0.213 15.024 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.178 1.541 16.031 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.597 2.849 13.980 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.162 1.524 12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.441 1.751 14.112 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -23.841 3.191 14.911 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -25.002 4.050 13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.327 4.100 12.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.329 3.117 10.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.865 1.737 11.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -25.472 2.281 11.688 1.00 0.00 H new ATOM 1099 N MET A 78 -18.872 -0.307 13.403 1.00 0.00 N ATOM 1100 CA MET A 78 -18.333 -1.120 12.286 1.00 0.00 C ATOM 1101 C MET A 78 -18.023 -2.579 12.751 1.00 0.00 C ATOM 1102 O MET A 78 -17.065 -2.824 13.493 1.00 0.00 O ATOM 1103 CB MET A 78 -17.099 -0.372 11.705 1.00 0.00 C ATOM 1104 CG MET A 78 -16.433 -1.100 10.520 1.00 0.00 C ATOM 1105 SD MET A 78 -15.661 0.062 9.317 1.00 0.00 S ATOM 1106 CE MET A 78 -13.962 -0.594 9.472 1.00 0.00 C ATOM 0 H MET A 78 -18.177 0.305 13.830 1.00 0.00 H new ATOM 0 HA MET A 78 -19.070 -1.232 11.491 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.407 0.622 11.382 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.362 -0.236 12.497 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.673 -1.783 10.899 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.178 -1.707 10.006 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.294 -0.033 8.818 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.627 -0.495 10.504 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.950 -1.646 9.186 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.819 -3.550 12.267 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.579 -4.992 12.536 1.00 0.00 C ATOM 1118 C ALA A 79 -17.499 -5.605 11.582 1.00 0.00 C ATOM 1119 O ALA A 79 -17.794 -6.296 10.602 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.955 -5.684 12.482 1.00 0.00 C ATOM 0 H ALA A 79 -19.637 -3.368 11.686 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.143 -5.147 13.523 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.834 -6.750 12.674 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.610 -5.251 13.238 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.396 -5.541 11.495 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.228 -5.316 11.901 1.00 0.00 N ATOM 1127 CA PHE A 80 -15.053 -5.738 11.099 1.00 0.00 C ATOM 1128 C PHE A 80 -13.897 -6.106 12.082 1.00 0.00 C ATOM 1129 O PHE A 80 -13.526 -5.309 12.951 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.677 -4.579 10.127 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.586 -4.932 9.105 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.918 -5.675 7.969 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.251 -4.572 9.325 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.928 -6.072 7.077 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.260 -4.975 8.432 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.598 -5.744 7.321 1.00 0.00 C ATOM 0 H PHE A 80 -15.977 -4.778 12.730 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.264 -6.618 10.492 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.573 -4.267 9.590 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.344 -3.723 10.714 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.948 -5.942 7.783 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.988 -3.980 10.189 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.192 -6.635 6.194 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.232 -4.692 8.601 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.826 -6.086 6.648 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.302 -7.302 11.928 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.151 -7.730 12.768 1.00 0.00 C ATOM 1148 C ALA A 81 -10.784 -7.091 12.356 1.00 0.00 C ATOM 1149 O ALA A 81 -10.192 -6.372 13.166 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.146 -9.272 12.807 1.00 0.00 C ATOM 0 H ALA A 81 -13.592 -7.992 11.235 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.282 -7.347 13.780 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.311 -9.618 13.417 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.082 -9.628 13.237 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.041 -9.661 11.794 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.287 -7.337 11.128 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.977 -6.790 10.693 1.00 0.00 C ATOM 1158 C GLY A 82 -8.435 -7.288 9.334 1.00 0.00 C ATOM 1159 O GLY A 82 -8.711 -8.402 8.881 1.00 0.00 O ATOM 0 H GLY A 82 -10.762 -7.903 10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.059 -5.704 10.650 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.239 -7.023 11.460 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.574 -6.458 8.731 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.652 -6.871 7.639 1.00 0.00 C ATOM 1165 C LEU A 83 -5.230 -7.145 8.257 1.00 0.00 C ATOM 1166 O LEU A 83 -4.523 -6.167 8.540 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.575 -5.754 6.556 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.806 -5.533 5.644 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.609 -4.266 4.796 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.073 -6.719 4.700 1.00 0.00 C ATOM 0 H LEU A 83 -7.489 -5.473 8.981 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.020 -7.779 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.363 -4.813 7.063 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.720 -5.970 5.915 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.667 -5.431 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.479 -4.117 4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.489 -3.404 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.719 -4.377 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.948 -6.505 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.207 -6.874 4.056 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.253 -7.619 5.288 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.749 -8.406 8.485 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.431 -8.658 9.144 1.00 0.00 C ATOM 1184 C PRO A 84 -2.131 -8.325 8.336 1.00 0.00 C ATOM 1185 O PRO A 84 -1.154 -7.866 8.937 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.551 -10.136 9.562 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.535 -10.759 8.570 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.534 -9.641 8.272 1.00 0.00 C ATOM 0 HA PRO A 84 -3.275 -7.962 9.969 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.583 -10.636 9.522 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.914 -10.227 10.586 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.029 -11.091 7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.030 -11.631 8.996 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -5.913 -9.704 7.252 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.397 -9.687 8.936 1.00 0.00 H new ATOM 1196 N LYS A 85 -2.118 -8.502 7.003 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.954 -8.153 6.146 1.00 0.00 C ATOM 1198 C LYS A 85 -0.843 -6.614 5.887 1.00 0.00 C ATOM 1199 O LYS A 85 -1.749 -5.985 5.328 1.00 0.00 O ATOM 1200 CB LYS A 85 -1.056 -8.907 4.791 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.879 -10.443 4.846 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.996 -11.132 3.470 1.00 0.00 C ATOM 1203 CE LYS A 85 0.223 -10.929 2.551 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.005 -11.601 1.257 1.00 0.00 N ATOM 0 H LYS A 85 -2.907 -8.889 6.484 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.054 -8.458 6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.030 -8.690 4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.304 -8.500 4.116 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.096 -10.672 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.629 -10.862 5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.146 -12.201 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -1.885 -10.755 2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.396 -9.865 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.118 -11.330 3.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.822 -11.460 0.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.149 -12.619 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.849 -11.199 0.801 1.00 0.00 H new ATOM 1217 N ILE A 86 0.328 -6.039 6.212 1.00 0.00 N ATOM 1218 CA ILE A 86 0.732 -4.663 5.765 1.00 0.00 C ATOM 1219 C ILE A 86 0.614 -4.373 4.228 1.00 0.00 C ATOM 1220 O ILE A 86 0.089 -3.326 3.846 1.00 0.00 O ATOM 1221 CB ILE A 86 2.134 -4.294 6.364 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.566 -2.813 6.153 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.298 -5.203 5.882 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.688 -1.753 6.838 1.00 0.00 C ATOM 0 H ILE A 86 1.030 -6.501 6.790 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.018 -3.986 6.175 1.00 0.00 H new ATOM 0 HB ILE A 86 1.963 -4.462 7.427 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.588 -2.698 6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.581 -2.608 5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.230 -4.877 6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.094 -6.236 6.165 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.388 -5.135 4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.082 -0.760 6.623 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.668 -1.828 6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.691 -1.919 7.915 1.00 0.00 H new ATOM 1236 N GLU A 87 1.053 -5.309 3.364 1.00 0.00 N ATOM 1237 CA GLU A 87 0.797 -5.256 1.896 1.00 0.00 C ATOM 1238 C GLU A 87 -0.709 -5.146 1.478 1.00 0.00 C ATOM 1239 O GLU A 87 -1.033 -4.268 0.682 1.00 0.00 O ATOM 1240 CB GLU A 87 1.504 -6.446 1.181 1.00 0.00 C ATOM 1241 CG GLU A 87 3.035 -6.628 1.375 1.00 0.00 C ATOM 1242 CD GLU A 87 3.919 -5.463 0.930 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.859 -4.415 1.804 1.00 0.00 O ATOM 1244 OE2 GLU A 87 4.607 -5.483 -0.086 1.00 0.00 O ATOM 0 H GLU A 87 1.594 -6.124 3.654 1.00 0.00 H new ATOM 0 HA GLU A 87 1.231 -4.314 1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.018 -7.365 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.315 -6.349 0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.226 -6.818 2.431 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.345 -7.520 0.830 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.628 -5.958 2.047 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.103 -5.754 1.867 1.00 0.00 C ATOM 1253 C ASP A 88 -3.662 -4.370 2.353 1.00 0.00 C ATOM 1254 O ASP A 88 -4.435 -3.743 1.622 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.871 -6.935 2.527 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.810 -8.313 1.858 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -2.632 -8.539 1.204 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.726 -9.125 1.931 1.00 0.00 O ATOM 0 H ASP A 88 -1.388 -6.758 2.632 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.272 -5.737 0.790 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.499 -7.044 3.546 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.920 -6.648 2.600 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.248 -3.874 3.537 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.545 -2.481 3.989 1.00 0.00 C ATOM 1265 C ARG A 89 -2.989 -1.354 3.050 1.00 0.00 C ATOM 1266 O ARG A 89 -3.769 -0.509 2.604 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.084 -2.280 5.461 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.699 -3.251 6.503 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.514 -2.848 7.977 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.091 -2.860 8.432 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.464 -3.898 8.987 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -1.992 -5.084 9.116 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.252 -3.726 9.425 1.00 0.00 N ATOM 0 H ARG A 89 -2.703 -4.415 4.208 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.628 -2.373 3.931 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.999 -2.378 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.322 -1.259 5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.766 -3.344 6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.260 -4.238 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.924 -1.849 8.125 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.092 -3.526 8.605 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.554 -2.002 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.940 -5.259 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.457 -5.836 9.551 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.196 -2.814 9.340 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.250 -4.503 9.854 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.684 -1.363 2.708 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.102 -0.470 1.666 1.00 0.00 C ATOM 1289 C ALA A 90 -1.717 -0.559 0.226 1.00 0.00 C ATOM 1290 O ALA A 90 -1.937 0.485 -0.394 1.00 0.00 O ATOM 1291 CB ALA A 90 0.416 -0.729 1.668 1.00 0.00 C ATOM 0 H ALA A 90 -1.000 -1.984 3.140 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.355 0.555 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.894 -0.097 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.823 -0.497 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.607 -1.776 1.434 1.00 0.00 H new ATOM 1297 N ASN A 91 -2.050 -1.765 -0.283 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.876 -1.941 -1.514 1.00 0.00 C ATOM 1299 C ASN A 91 -4.278 -1.244 -1.455 1.00 0.00 C ATOM 1300 O ASN A 91 -4.591 -0.426 -2.325 1.00 0.00 O ATOM 1301 CB ASN A 91 -3.049 -3.459 -1.821 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.909 -4.392 -2.225 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -2.098 -5.601 -2.288 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -0.712 -3.959 -2.499 1.00 0.00 N ATOM 0 H ASN A 91 -1.759 -2.646 0.141 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.330 -1.445 -2.316 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.499 -3.898 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.790 -3.524 -2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.023 -4.619 -2.754 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -0.509 -2.960 -2.459 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.108 -1.545 -0.434 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.416 -0.862 -0.219 1.00 0.00 C ATOM 1313 C LEU A 92 -6.310 0.685 0.007 1.00 0.00 C ATOM 1314 O LEU A 92 -7.036 1.431 -0.649 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.177 -1.610 0.914 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.728 -1.557 0.868 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.305 -2.419 1.993 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -9.323 -0.149 1.009 1.00 0.00 C ATOM 0 H LEU A 92 -4.900 -2.260 0.262 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.994 -0.924 -1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -6.872 -2.656 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.851 -1.200 1.870 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.999 -1.926 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.394 -2.380 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.974 -3.450 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.958 -2.041 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -10.411 -0.208 0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -9.020 0.280 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.961 0.482 0.197 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.395 1.184 0.860 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.134 2.651 1.026 1.00 0.00 C ATOM 1332 C ILE A 93 -4.646 3.363 -0.291 1.00 0.00 C ATOM 1333 O ILE A 93 -5.141 4.453 -0.583 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.237 2.857 2.301 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -4.970 2.439 3.617 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.712 4.310 2.468 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -4.062 2.207 4.835 1.00 0.00 C ATOM 0 H ILE A 93 -4.812 0.596 1.456 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.072 3.176 1.207 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.382 2.203 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.696 3.212 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.531 1.525 3.425 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.101 4.375 3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.110 4.581 1.601 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.556 4.994 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.670 1.922 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.352 1.411 4.613 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.519 3.124 5.064 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.767 2.756 -1.116 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.542 3.191 -2.525 1.00 0.00 C ATOM 1351 C ALA A 94 -4.803 3.248 -3.460 1.00 0.00 C ATOM 1352 O ALA A 94 -4.981 4.236 -4.177 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.446 2.272 -3.091 1.00 0.00 C ATOM 0 H ALA A 94 -3.196 1.959 -0.836 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.246 4.240 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.239 2.546 -4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.538 2.381 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.783 1.236 -3.051 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.699 2.241 -3.421 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.064 2.341 -4.020 1.00 0.00 C ATOM 1361 C TYR A 95 -8.001 3.455 -3.427 1.00 0.00 C ATOM 1362 O TYR A 95 -8.649 4.154 -4.206 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.679 0.916 -3.993 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.013 0.738 -4.732 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.066 0.837 -6.127 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.179 0.446 -4.019 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.274 0.658 -6.797 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.381 0.252 -4.694 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.429 0.358 -6.080 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.600 0.111 -6.746 1.00 0.00 O ATOM 0 H TYR A 95 -5.509 1.341 -2.981 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.963 2.697 -5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.955 0.223 -4.421 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.822 0.625 -2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.167 1.053 -6.686 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.147 0.371 -2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.315 0.752 -7.872 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.278 0.019 -4.140 1.00 0.00 H new ATOM 0 HH TYR A 95 -12.401 -0.178 -7.661 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.045 3.665 -2.096 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.684 4.873 -1.484 1.00 0.00 C ATOM 1382 C LEU A 96 -8.038 6.254 -1.866 1.00 0.00 C ATOM 1383 O LEU A 96 -8.772 7.227 -2.029 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.791 4.726 0.062 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.531 3.498 0.651 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.475 3.517 2.189 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -10.990 3.380 0.179 1.00 0.00 C ATOM 0 H LEU A 96 -7.648 3.019 -1.414 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.680 4.902 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.777 4.723 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.282 5.621 0.444 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.006 2.620 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.000 2.647 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.435 3.492 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.950 4.426 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.448 2.499 0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.543 4.270 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.015 3.287 -0.907 1.00 0.00 H new ATOM 1399 N GLU A 97 -6.707 6.351 -2.058 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.057 7.505 -2.757 1.00 0.00 C ATOM 1401 C GLU A 97 -6.448 7.690 -4.269 1.00 0.00 C ATOM 1402 O GLU A 97 -6.641 8.826 -4.704 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.517 7.425 -2.576 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.016 7.667 -1.130 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.508 7.533 -0.958 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -1.843 8.632 -1.421 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -1.967 6.552 -0.454 1.00 0.00 O ATOM 0 H GLU A 97 -6.046 5.642 -1.739 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.450 8.401 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.178 6.442 -2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.050 8.158 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.318 8.666 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.510 6.960 -0.464 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.627 6.608 -5.055 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.405 6.668 -6.331 1.00 0.00 C ATOM 1416 C GLY A 98 -8.939 6.949 -6.290 1.00 0.00 C ATOM 1417 O GLY A 98 -9.531 7.183 -7.345 1.00 0.00 O ATOM 0 H GLY A 98 -6.251 5.685 -4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.950 7.438 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.262 5.717 -6.844 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.581 6.922 -5.113 1.00 0.00 N ATOM 1422 CA GLN A 99 -10.991 7.369 -4.911 1.00 0.00 C ATOM 1423 C GLN A 99 -11.032 8.511 -3.837 1.00 0.00 C ATOM 1424 O GLN A 99 -11.556 8.344 -2.729 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.839 6.128 -4.509 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.930 4.948 -5.517 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.765 5.218 -6.771 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.963 4.958 -6.823 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -12.172 5.741 -7.818 1.00 0.00 N ATOM 0 H GLN A 99 -9.141 6.587 -4.256 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.413 7.786 -5.825 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.437 5.738 -3.574 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.853 6.469 -4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.920 4.677 -5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.349 4.084 -5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.176 5.960 -7.784 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.707 5.928 -8.666 1.00 0.00 H new ATOM 1438 N GLN A 100 -10.444 9.670 -4.173 1.00 0.00 N ATOM 1439 CA GLN A 100 -10.139 10.757 -3.205 1.00 0.00 C ATOM 1440 C GLN A 100 -10.634 12.127 -3.736 1.00 0.00 C ATOM 1441 O GLN A 100 -10.210 12.570 -4.830 1.00 0.00 O ATOM 1442 CB GLN A 100 -8.613 10.732 -2.920 1.00 0.00 C ATOM 1443 CG GLN A 100 -8.154 11.572 -1.699 1.00 0.00 C ATOM 1444 CD GLN A 100 -6.643 11.566 -1.410 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -5.815 10.918 -2.042 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -6.226 12.286 -0.398 1.00 0.00 N ATOM 1447 OXT GLN A 100 -11.439 12.781 -3.033 1.00 0.00 O ATOM 0 H GLN A 100 -10.162 9.889 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.670 10.599 -2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.306 9.698 -2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.089 11.091 -3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.471 12.604 -1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.675 11.206 -0.814 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.892 12.835 0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.236 12.297 -0.154 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.345 0.091 7.313 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.784 3.084 8.940 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.445 1.634 6.177 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.443 -2.844 6.147 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.165 -1.119 8.162 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.304 1.780 7.638 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.644 2.885 8.275 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.792 3.942 8.210 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.803 3.502 7.453 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.202 2.257 7.081 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.554 4.329 7.079 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.907 5.408 8.709 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.664 6.260 7.657 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.763 7.769 7.894 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.773 8.516 6.887 1.00 0.00 O HETATM 1472 O2A HEC A 101 -15.856 8.220 9.058 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.837 -0.420 6.334 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.737 0.269 5.746 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.957 -0.486 4.875 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.424 -1.781 4.971 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.520 -1.726 5.857 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.830 0.004 3.953 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.911 -3.004 4.183 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.514 -3.442 4.649 1.00 0.00 C HETATM 1481 NC HEC A 101 -17.028 -1.645 7.374 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.611 -2.722 6.791 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.493 -3.749 6.796 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.609 -3.235 7.319 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.259 -1.962 7.636 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.375 -5.193 6.283 1.00 0.00 C HETATM 1487 CAC HEC A 101 -20.002 -3.933 7.348 1.00 0.00 C HETATM 1488 CBC HEC A 101 -20.076 -5.227 8.175 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.734 0.914 8.168 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.938 0.290 8.533 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.755 1.045 9.387 1.00 0.00 C HETATM 1492 C3D HEC A 101 -19.074 2.218 9.637 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.876 2.110 8.921 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.114 0.655 9.981 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.533 3.376 10.547 1.00 0.00 C HETATM 1496 CBD HEC A 101 -18.989 3.244 11.987 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.413 4.321 12.993 1.00 0.00 C HETATM 1498 O1D HEC A 101 -20.474 4.960 12.820 1.00 0.00 O HETATM 1499 O2D HEC A 101 -18.693 4.505 13.995 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.822 0.464 9.175 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -21.002 -0.245 10.586 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.485 1.468 10.605 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.170 -5.183 5.212 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.561 -5.699 6.803 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.309 -5.723 6.469 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.227 0.739 3.252 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -11.043 0.462 4.552 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.420 -0.841 3.400 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.859 5.225 6.539 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -12.022 4.616 7.986 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.897 3.731 6.447 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.298 2.275 12.378 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -17.900 3.236 11.938 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.375 -5.957 7.772 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.819 -5.011 9.212 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -21.087 -5.631 8.129 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.809 -2.623 4.504 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.550 -3.708 5.705 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.191 -4.306 4.068 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -15.183 6.104 6.691 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.677 5.867 7.575 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.201 4.323 10.121 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.622 3.404 10.574 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.434 5.438 9.663 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.914 5.823 8.881 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.166 -1.516 8.331 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.152 -3.840 5.812 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.588 2.155 5.750 1.00 0.00 H new HETATM 0 HHA HEC A 101 -16.906 4.002 9.516 1.00 0.00 H new HETATM 0 H2D HEC A 101 -19.257 4.598 14.791 1.00 0.00 H new HETATM 0 H2A HEC A 101 -16.789 8.171 9.354 1.00 0.00 H new