USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 572 hydrogens (96 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 17 HIS HE2 : A 17 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 130 HEC HAC : A 130 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 HEC HAB : A 130 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAC : A 153 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAB : A 153 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAC : A 166 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAB : A 166 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 23 LYS NZ :NH3+ 156:sc= 0.669 (180deg=-1.82!) USER MOD Set 1.2: A 153 HEC O2D : rot 131:sc= 0.597 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -169:sc= 0.84 (180deg=-0.0581) USER MOD Set 2.2: A 166 HEC O2A : rot 177:sc= 0.227 USER MOD Set 3.1: A 36 LYS NZ :NH3+ 154:sc= 1.1 (180deg=0.778) USER MOD Set 3.2: A 130 HEC O2A : rot -140:sc= 0.762 USER MOD Set 4.1: A 5 THR OG1 : rot -59:sc= 0.699 USER MOD Set 4.2: A 14 THR OG1 : rot 180:sc= 0.631 USER MOD Single : A 1 ALA N :NH3+ 178:sc= 1.15 (180deg=0.998) USER MOD Single : A 6 TYR OH : rot -54:sc= 1.23 USER MOD Single : A 8 ASN : amide:sc= 0.999 K(o=1,f=-3.4!) USER MOD Single : A 12 ASN : amide:sc= -0.325 K(o=-0.33,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0.812 (180deg=0.122) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -119:sc= 0.766 USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 0.831 (180deg=0.148!) USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.158) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -39:sc= 0.887 USER MOD Single : A 56 ASN : amide:sc= 1.12 K(o=1.1,f=-0.023) USER MOD Single : A 57 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.033) USER MOD Single : A 60 THR OG1 : rot 77:sc= 1.09 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 0.279! (180deg=-2.21!) USER MOD Single : A 130 HEC O2D : rot 166:sc= 0 USER MOD Single : A 153 HEC O2A : rot 179:sc= 0 USER MOD Single : A 166 HEC O2D : rot 172:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.457 -7.447 -3.408 1.00 10.00 N ATOM 2 CA ALA A 1 -10.742 -7.357 -1.953 1.00 10.00 C ATOM 3 C ALA A 1 -9.836 -8.255 -1.078 1.00 10.00 C ATOM 4 O ALA A 1 -10.108 -8.426 0.106 1.00 10.00 O ATOM 5 CB ALA A 1 -12.218 -7.690 -1.709 1.00 10.00 C ATOM 0 H1 ALA A 1 -11.125 -6.845 -3.930 1.00 10.00 H new ATOM 0 H2 ALA A 1 -9.485 -7.127 -3.592 1.00 10.00 H new ATOM 0 H3 ALA A 1 -10.562 -8.433 -3.722 1.00 10.00 H new ATOM 0 HA ALA A 1 -10.521 -6.334 -1.649 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -12.434 -7.626 -0.643 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -12.845 -6.981 -2.250 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -12.426 -8.700 -2.061 1.00 10.00 H new ATOM 13 N ASP A 2 -8.792 -8.851 -1.663 1.00 10.00 N ATOM 14 CA ASP A 2 -8.284 -10.144 -1.243 1.00 10.00 C ATOM 15 C ASP A 2 -6.903 -10.400 -1.885 1.00 10.00 C ATOM 16 O ASP A 2 -6.789 -11.074 -2.901 1.00 10.00 O ATOM 17 CB ASP A 2 -9.347 -11.175 -1.687 1.00 10.00 C ATOM 18 CG ASP A 2 -9.783 -11.091 -3.157 1.00 10.00 C ATOM 19 OD1 ASP A 2 -9.849 -9.957 -3.699 1.00 10.00 O ATOM 20 OD2 ASP A 2 -10.125 -12.160 -3.697 1.00 10.00 O ATOM 0 H ASP A 2 -8.279 -8.441 -2.444 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.128 -10.207 -0.166 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -8.957 -12.175 -1.500 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -10.229 -11.054 -1.058 1.00 10.00 H new ATOM 25 N VAL A 3 -5.846 -9.835 -1.287 1.00 10.00 N ATOM 26 CA VAL A 3 -4.456 -9.965 -1.735 1.00 10.00 C ATOM 27 C VAL A 3 -4.279 -9.589 -3.219 1.00 10.00 C ATOM 28 O VAL A 3 -4.088 -10.433 -4.091 1.00 10.00 O ATOM 29 CB VAL A 3 -3.907 -11.347 -1.340 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.409 -11.477 -1.655 1.00 10.00 C ATOM 31 CG2 VAL A 3 -4.089 -11.595 0.166 1.00 10.00 C ATOM 0 H VAL A 3 -5.939 -9.257 -0.452 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.839 -9.232 -1.216 1.00 10.00 H new ATOM 0 HB VAL A 3 -4.468 -12.079 -1.921 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.060 -12.467 -1.361 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.249 -11.338 -2.724 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.854 -10.718 -1.103 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.694 -12.578 0.423 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.553 -10.830 0.728 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -5.149 -11.553 0.416 1.00 10.00 H new ATOM 41 N VAL A 4 -4.351 -8.285 -3.505 1.00 10.00 N ATOM 42 CA VAL A 4 -4.403 -7.753 -4.866 1.00 10.00 C ATOM 43 C VAL A 4 -3.000 -7.398 -5.393 1.00 10.00 C ATOM 44 O VAL A 4 -2.418 -6.385 -5.010 1.00 10.00 O ATOM 45 CB VAL A 4 -5.357 -6.544 -4.907 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.519 -6.024 -6.343 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.744 -6.913 -4.361 1.00 10.00 C ATOM 0 H VAL A 4 -4.375 -7.562 -2.786 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.791 -8.524 -5.532 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.916 -5.767 -4.282 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.197 -5.170 -6.347 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.548 -5.717 -6.731 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.928 -6.815 -6.972 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.395 -6.040 -4.402 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.171 -7.714 -4.965 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.651 -7.248 -3.328 1.00 10.00 H new ATOM 57 N THR A 5 -2.448 -8.206 -6.301 1.00 10.00 N ATOM 58 CA THR A 5 -1.185 -7.887 -6.972 1.00 10.00 C ATOM 59 C THR A 5 -1.367 -6.886 -8.115 1.00 10.00 C ATOM 60 O THR A 5 -2.021 -7.176 -9.112 1.00 10.00 O ATOM 61 CB THR A 5 -0.480 -9.165 -7.440 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.037 -9.874 -6.312 1.00 10.00 O ATOM 63 CG2 THR A 5 0.796 -8.866 -8.215 1.00 10.00 C ATOM 0 H THR A 5 -2.860 -9.093 -6.590 1.00 10.00 H new ATOM 0 HA THR A 5 -0.543 -7.397 -6.240 1.00 10.00 H new ATOM 0 HB THR A 5 -1.195 -9.707 -8.059 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.571 -9.310 -5.789 1.00 10.00 H new ATOM 0 HG21 THR A 5 1.261 -9.802 -8.526 1.00 10.00 H new ATOM 0 HG22 THR A 5 0.556 -8.270 -9.095 1.00 10.00 H new ATOM 0 HG23 THR A 5 1.486 -8.312 -7.579 1.00 10.00 H new ATOM 71 N TYR A 6 -0.723 -5.722 -7.988 1.00 10.00 N ATOM 72 CA TYR A 6 -0.567 -4.760 -9.073 1.00 10.00 C ATOM 73 C TYR A 6 0.632 -5.162 -9.924 1.00 10.00 C ATOM 74 O TYR A 6 1.761 -5.026 -9.460 1.00 10.00 O ATOM 75 CB TYR A 6 -0.350 -3.358 -8.490 1.00 10.00 C ATOM 76 CG TYR A 6 -1.637 -2.604 -8.238 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.680 -3.201 -7.505 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.774 -1.284 -8.698 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.821 -2.453 -7.171 1.00 10.00 C ATOM 80 CE2 TYR A 6 -2.905 -0.533 -8.347 1.00 10.00 C ATOM 81 CZ TYR A 6 -3.934 -1.118 -7.595 1.00 10.00 C ATOM 82 OH TYR A 6 -4.978 -0.350 -7.191 1.00 10.00 O ATOM 0 H TYR A 6 -0.291 -5.421 -7.114 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.465 -4.750 -9.691 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.201 -3.444 -7.553 1.00 10.00 H new ATOM 0 HB3 TYR A 6 0.272 -2.781 -9.174 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.603 -4.234 -7.199 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.008 -0.847 -9.322 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.611 -2.904 -6.589 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -2.984 0.499 -8.657 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.820 -0.806 -7.400 1.00 10.00 H new ATOM 92 N GLU A 7 0.377 -5.669 -11.129 1.00 10.00 N ATOM 93 CA GLU A 7 1.377 -6.104 -12.099 1.00 10.00 C ATOM 94 C GLU A 7 1.753 -4.985 -13.082 1.00 10.00 C ATOM 95 O GLU A 7 0.949 -4.596 -13.925 1.00 10.00 O ATOM 96 CB GLU A 7 0.862 -7.370 -12.794 1.00 10.00 C ATOM 97 CG GLU A 7 0.520 -8.417 -11.731 1.00 10.00 C ATOM 98 CD GLU A 7 0.338 -9.819 -12.283 1.00 10.00 C ATOM 99 OE1 GLU A 7 -0.625 -10.015 -13.053 1.00 10.00 O ATOM 100 OE2 GLU A 7 1.181 -10.663 -11.904 1.00 10.00 O ATOM 0 H GLU A 7 -0.576 -5.793 -11.470 1.00 10.00 H new ATOM 0 HA GLU A 7 2.308 -6.345 -11.585 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.019 -7.139 -13.392 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.618 -7.759 -13.476 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.312 -8.432 -10.982 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -0.395 -8.117 -11.221 1.00 10.00 H new ATOM 107 N ASN A 8 2.977 -4.457 -12.948 1.00 10.00 N ATOM 108 CA ASN A 8 3.432 -3.226 -13.597 1.00 10.00 C ATOM 109 C ASN A 8 4.814 -3.442 -14.227 1.00 10.00 C ATOM 110 O ASN A 8 5.553 -4.338 -13.813 1.00 10.00 O ATOM 111 CB ASN A 8 3.466 -2.075 -12.574 1.00 10.00 C ATOM 112 CG ASN A 8 2.636 -2.369 -11.331 1.00 10.00 C ATOM 113 OD1 ASN A 8 1.427 -2.188 -11.308 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.264 -2.925 -10.304 1.00 10.00 N ATOM 0 H ASN A 8 3.696 -4.889 -12.368 1.00 10.00 H new ATOM 0 HA ASN A 8 2.735 -2.959 -14.391 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.498 -1.886 -12.280 1.00 10.00 H new ATOM 0 HB3 ASN A 8 3.097 -1.164 -13.045 1.00 10.00 H new ATOM 0 HD21 ASN A 8 2.738 -3.209 -9.478 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.273 -3.068 -10.340 1.00 10.00 H new ATOM 121 N ALA A 9 5.198 -2.609 -15.195 1.00 10.00 N ATOM 122 CA ALA A 9 6.442 -2.772 -15.946 1.00 10.00 C ATOM 123 C ALA A 9 7.690 -2.693 -15.055 1.00 10.00 C ATOM 124 O ALA A 9 8.728 -3.264 -15.381 1.00 10.00 O ATOM 125 CB ALA A 9 6.495 -1.725 -17.059 1.00 10.00 C ATOM 0 H ALA A 9 4.651 -1.797 -15.481 1.00 10.00 H new ATOM 0 HA ALA A 9 6.446 -3.773 -16.378 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.420 -1.841 -17.623 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.644 -1.860 -17.726 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.459 -0.727 -16.622 1.00 10.00 H new ATOM 131 N ALA A 10 7.586 -2.000 -13.917 1.00 10.00 N ATOM 132 CA ALA A 10 8.659 -1.899 -12.932 1.00 10.00 C ATOM 133 C ALA A 10 8.785 -3.136 -12.025 1.00 10.00 C ATOM 134 O ALA A 10 9.722 -3.196 -11.232 1.00 10.00 O ATOM 135 CB ALA A 10 8.440 -0.634 -12.095 1.00 10.00 C ATOM 0 H ALA A 10 6.743 -1.489 -13.654 1.00 10.00 H new ATOM 0 HA ALA A 10 9.601 -1.843 -13.477 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.235 -0.546 -11.354 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.452 0.240 -12.746 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.477 -0.695 -11.588 1.00 10.00 H new ATOM 141 N GLY A 11 7.841 -4.085 -12.089 1.00 10.00 N ATOM 142 CA GLY A 11 7.728 -5.184 -11.127 1.00 10.00 C ATOM 143 C GLY A 11 6.356 -5.173 -10.465 1.00 10.00 C ATOM 144 O GLY A 11 5.770 -4.101 -10.306 1.00 10.00 O ATOM 0 H GLY A 11 7.128 -4.109 -12.818 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.887 -6.136 -11.633 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.505 -5.093 -10.368 1.00 10.00 H new ATOM 148 N ASN A 12 5.840 -6.337 -10.055 1.00 10.00 N ATOM 149 CA ASN A 12 4.623 -6.369 -9.245 1.00 10.00 C ATOM 150 C ASN A 12 4.900 -6.102 -7.761 1.00 10.00 C ATOM 151 O ASN A 12 6.049 -6.166 -7.325 1.00 10.00 O ATOM 152 CB ASN A 12 3.744 -7.589 -9.536 1.00 10.00 C ATOM 153 CG ASN A 12 4.256 -8.922 -9.002 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.111 -8.978 -8.130 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.745 -10.028 -9.526 1.00 10.00 N ATOM 0 H ASN A 12 6.239 -7.252 -10.267 1.00 10.00 H new ATOM 0 HA ASN A 12 4.007 -5.526 -9.559 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.754 -7.408 -9.117 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.622 -7.675 -10.616 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.065 -10.941 -9.202 1.00 10.00 H new ATOM 0 HD22 ASN A 12 3.032 -9.966 -10.253 1.00 10.00 H new ATOM 162 N VAL A 13 3.847 -5.727 -7.023 1.00 10.00 N ATOM 163 CA VAL A 13 3.971 -5.156 -5.673 1.00 10.00 C ATOM 164 C VAL A 13 3.216 -5.881 -4.542 1.00 10.00 C ATOM 165 O VAL A 13 3.723 -5.941 -3.425 1.00 10.00 O ATOM 166 CB VAL A 13 3.718 -3.641 -5.717 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.424 -3.302 -6.436 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.674 -3.014 -4.320 1.00 10.00 C ATOM 0 H VAL A 13 2.883 -5.811 -7.345 1.00 10.00 H new ATOM 0 HA VAL A 13 5.004 -5.334 -5.376 1.00 10.00 H new ATOM 0 HB VAL A 13 4.562 -3.225 -6.267 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.285 -2.221 -6.444 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.470 -3.669 -7.461 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.587 -3.772 -5.920 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.493 -1.943 -4.408 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.872 -3.472 -3.741 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.626 -3.181 -3.816 1.00 10.00 H new ATOM 178 N THR A 14 2.014 -6.414 -4.795 1.00 10.00 N ATOM 179 CA THR A 14 1.169 -7.075 -3.786 1.00 10.00 C ATOM 180 C THR A 14 0.610 -6.112 -2.728 1.00 10.00 C ATOM 181 O THR A 14 1.266 -5.736 -1.761 1.00 10.00 O ATOM 182 CB THR A 14 1.825 -8.350 -3.221 1.00 10.00 C ATOM 183 OG1 THR A 14 1.566 -9.398 -4.131 1.00 10.00 O ATOM 184 CG2 THR A 14 1.266 -8.810 -1.870 1.00 10.00 C ATOM 0 H THR A 14 1.592 -6.399 -5.723 1.00 10.00 H new ATOM 0 HA THR A 14 0.277 -7.424 -4.306 1.00 10.00 H new ATOM 0 HB THR A 14 2.880 -8.117 -3.080 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.973 -10.226 -3.801 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.786 -9.713 -1.550 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.413 -8.024 -1.129 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.201 -9.020 -1.969 1.00 10.00 H new ATOM 192 N PHE A 15 -0.655 -5.728 -2.925 1.00 10.00 N ATOM 193 CA PHE A 15 -1.469 -5.026 -1.942 1.00 10.00 C ATOM 194 C PHE A 15 -2.252 -6.065 -1.143 1.00 10.00 C ATOM 195 O PHE A 15 -3.298 -6.538 -1.604 1.00 10.00 O ATOM 196 CB PHE A 15 -2.501 -4.120 -2.629 1.00 10.00 C ATOM 197 CG PHE A 15 -2.045 -2.877 -3.356 1.00 10.00 C ATOM 198 CD1 PHE A 15 -0.851 -2.862 -4.102 1.00 10.00 C ATOM 199 CD2 PHE A 15 -2.992 -1.853 -3.543 1.00 10.00 C ATOM 200 CE1 PHE A 15 -0.629 -1.853 -5.047 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.770 -0.851 -4.498 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.585 -0.851 -5.248 1.00 10.00 C ATOM 0 H PHE A 15 -1.150 -5.904 -3.799 1.00 10.00 H new ATOM 0 HA PHE A 15 -0.812 -4.425 -1.313 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.046 -4.734 -3.346 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.216 -3.807 -1.868 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.107 -3.629 -3.945 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.893 -1.839 -2.948 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.284 -1.848 -5.623 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.510 -0.081 -4.656 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.410 -0.077 -5.981 1.00 10.00 H new ATOM 212 N ASP A 16 -1.817 -6.394 0.072 1.00 10.00 N ATOM 213 CA ASP A 16 -2.664 -7.226 0.897 1.00 10.00 C ATOM 214 C ASP A 16 -3.893 -6.417 1.319 1.00 10.00 C ATOM 215 O ASP A 16 -3.805 -5.494 2.123 1.00 10.00 O ATOM 216 CB ASP A 16 -1.932 -7.789 2.106 1.00 10.00 C ATOM 217 CG ASP A 16 -0.536 -8.292 1.822 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.403 -9.130 0.909 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.350 -7.822 2.566 1.00 10.00 O ATOM 0 H ASP A 16 -0.928 -6.111 0.484 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.975 -8.090 0.309 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.876 -7.016 2.872 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -2.521 -8.607 2.521 1.00 10.00 H new ATOM 224 N HIS A 17 -5.059 -6.786 0.803 1.00 10.00 N ATOM 225 CA HIS A 17 -6.279 -6.511 1.539 1.00 10.00 C ATOM 226 C HIS A 17 -6.268 -7.358 2.819 1.00 10.00 C ATOM 227 O HIS A 17 -6.132 -6.828 3.917 1.00 10.00 O ATOM 228 CB HIS A 17 -7.492 -6.766 0.638 1.00 10.00 C ATOM 229 CG HIS A 17 -8.045 -5.484 0.078 1.00 10.00 C ATOM 230 ND1 HIS A 17 -7.403 -4.713 -0.859 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.909 -4.665 0.757 1.00 10.00 C ATOM 232 CE1 HIS A 17 -7.855 -3.456 -0.723 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.767 -3.361 0.266 1.00 10.00 N ATOM 0 H HIS A 17 -5.182 -7.260 -0.092 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.344 -5.465 1.840 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.206 -7.427 -0.180 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.267 -7.279 1.207 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -6.710 -5.036 -1.534 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -9.586 -4.974 1.540 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -7.529 -2.624 -1.330 1.00 10.00 H new ATOM 241 N LYS A 18 -6.352 -8.683 2.664 1.00 10.00 N ATOM 242 CA LYS A 18 -6.545 -9.643 3.730 1.00 10.00 C ATOM 243 C LYS A 18 -5.428 -9.543 4.784 1.00 10.00 C ATOM 244 O LYS A 18 -5.684 -9.150 5.914 1.00 10.00 O ATOM 245 CB LYS A 18 -6.717 -11.043 3.096 1.00 10.00 C ATOM 246 CG LYS A 18 -7.693 -11.956 3.856 1.00 10.00 C ATOM 247 CD LYS A 18 -7.060 -12.612 5.086 1.00 10.00 C ATOM 248 CE LYS A 18 -6.324 -13.917 4.744 1.00 10.00 C ATOM 249 NZ LYS A 18 -5.668 -14.470 5.947 1.00 10.00 N ATOM 0 H LYS A 18 -6.283 -9.125 1.747 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.454 -9.428 4.291 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.068 -10.926 2.071 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.743 -11.530 3.046 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -8.560 -11.373 4.167 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -8.056 -12.733 3.182 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.361 -11.914 5.546 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -7.836 -12.819 5.823 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.029 -14.644 4.340 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -5.580 -13.730 3.970 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -5.321 -15.429 5.743 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -4.868 -13.862 6.217 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -6.353 -14.508 6.729 1.00 10.00 H new ATOM 263 N ALA A 19 -4.182 -9.872 4.427 1.00 10.00 N ATOM 264 CA ALA A 19 -3.109 -10.028 5.411 1.00 10.00 C ATOM 265 C ALA A 19 -2.796 -8.740 6.187 1.00 10.00 C ATOM 266 O ALA A 19 -2.707 -8.765 7.414 1.00 10.00 O ATOM 267 CB ALA A 19 -1.853 -10.586 4.740 1.00 10.00 C ATOM 0 H ALA A 19 -3.893 -10.035 3.463 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.468 -10.740 6.154 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -1.063 -10.697 5.482 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -2.077 -11.558 4.300 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.523 -9.901 3.959 1.00 10.00 H new ATOM 273 N HIS A 20 -2.659 -7.604 5.492 1.00 10.00 N ATOM 274 CA HIS A 20 -2.555 -6.314 6.171 1.00 10.00 C ATOM 275 C HIS A 20 -3.799 -6.098 7.060 1.00 10.00 C ATOM 276 O HIS A 20 -3.658 -5.867 8.261 1.00 10.00 O ATOM 277 CB HIS A 20 -2.344 -5.149 5.181 1.00 10.00 C ATOM 278 CG HIS A 20 -0.923 -4.830 4.731 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.087 -5.643 3.998 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.295 -3.605 4.816 1.00 10.00 C ATOM 281 CE1 HIS A 20 0.993 -4.926 3.661 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.940 -3.674 4.152 1.00 10.00 N ATOM 0 H HIS A 20 -2.618 -7.555 4.474 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.669 -6.328 6.806 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.935 -5.359 4.290 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.759 -4.249 5.634 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.260 -6.618 3.755 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.690 -2.732 5.314 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.810 -5.307 3.066 1.00 10.00 H new ATOM 290 N ALA A 21 -5.021 -6.210 6.515 1.00 10.00 N ATOM 291 CA ALA A 21 -6.256 -6.025 7.284 1.00 10.00 C ATOM 292 C ALA A 21 -6.324 -6.849 8.571 1.00 10.00 C ATOM 293 O ALA A 21 -6.737 -6.329 9.604 1.00 10.00 O ATOM 294 CB ALA A 21 -7.482 -6.354 6.439 1.00 10.00 C ATOM 0 H ALA A 21 -5.177 -6.431 5.532 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.248 -4.973 7.567 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.384 -6.208 7.034 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.511 -5.698 5.569 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.429 -7.392 6.109 1.00 10.00 H new ATOM 300 N GLU A 22 -5.922 -8.119 8.525 1.00 10.00 N ATOM 301 CA GLU A 22 -5.902 -8.994 9.691 1.00 10.00 C ATOM 302 C GLU A 22 -5.149 -8.392 10.896 1.00 10.00 C ATOM 303 O GLU A 22 -5.445 -8.745 12.035 1.00 10.00 O ATOM 304 CB GLU A 22 -5.347 -10.363 9.273 1.00 10.00 C ATOM 305 CG GLU A 22 -6.362 -11.144 8.438 1.00 10.00 C ATOM 306 CD GLU A 22 -5.870 -12.524 8.044 1.00 10.00 C ATOM 307 OE1 GLU A 22 -4.753 -12.620 7.489 1.00 10.00 O ATOM 308 OE2 GLU A 22 -6.667 -13.486 8.105 1.00 10.00 O ATOM 0 H GLU A 22 -5.599 -8.571 7.669 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.925 -9.115 10.047 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -4.430 -10.226 8.700 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.085 -10.938 10.161 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -7.289 -11.243 9.002 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.596 -10.577 7.537 1.00 10.00 H new ATOM 315 N LYS A 23 -4.199 -7.476 10.660 1.00 10.00 N ATOM 316 CA LYS A 23 -3.471 -6.757 11.699 1.00 10.00 C ATOM 317 C LYS A 23 -3.857 -5.265 11.792 1.00 10.00 C ATOM 318 O LYS A 23 -3.802 -4.684 12.872 1.00 10.00 O ATOM 319 CB LYS A 23 -1.977 -6.972 11.430 1.00 10.00 C ATOM 320 CG LYS A 23 -1.598 -8.415 11.806 1.00 10.00 C ATOM 321 CD LYS A 23 -0.146 -8.782 11.468 1.00 10.00 C ATOM 322 CE LYS A 23 0.863 -7.870 12.175 1.00 10.00 C ATOM 323 NZ LYS A 23 2.237 -8.391 12.036 1.00 10.00 N ATOM 0 H LYS A 23 -3.914 -7.213 9.717 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.738 -7.152 12.679 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.754 -6.787 10.379 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.385 -6.265 12.011 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.759 -8.556 12.875 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.267 -9.103 11.289 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.041 -9.817 11.753 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.002 -8.717 10.390 1.00 10.00 H new ATOM 0 HE2 LYS A 23 0.807 -6.866 11.755 1.00 10.00 H new ATOM 0 HE3 LYS A 23 0.607 -7.788 13.231 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 2.917 -7.611 12.142 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 2.413 -9.106 12.770 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 2.351 -8.824 11.097 1.00 10.00 H new ATOM 337 N LEU A 24 -4.242 -4.637 10.675 1.00 10.00 N ATOM 338 CA LEU A 24 -4.527 -3.203 10.566 1.00 10.00 C ATOM 339 C LEU A 24 -6.015 -2.826 10.730 1.00 10.00 C ATOM 340 O LEU A 24 -6.334 -1.669 10.989 1.00 10.00 O ATOM 341 CB LEU A 24 -3.998 -2.705 9.216 1.00 10.00 C ATOM 342 CG LEU A 24 -2.478 -2.801 9.014 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.128 -2.041 7.731 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.687 -2.173 10.168 1.00 10.00 C ATOM 0 H LEU A 24 -4.368 -5.131 9.792 1.00 10.00 H new ATOM 0 HA LEU A 24 -4.021 -2.716 11.400 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.487 -3.273 8.424 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.296 -1.664 9.092 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.211 -3.857 8.963 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.053 -2.091 7.560 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.651 -2.491 6.887 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.431 -0.999 7.831 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.619 -2.270 9.972 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.946 -1.118 10.255 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.933 -2.685 11.098 1.00 10.00 H new ATOM 356 N GLY A 25 -6.941 -3.772 10.567 1.00 10.00 N ATOM 357 CA GLY A 25 -8.358 -3.588 10.880 1.00 10.00 C ATOM 358 C GLY A 25 -9.151 -2.690 9.925 1.00 10.00 C ATOM 359 O GLY A 25 -10.098 -2.043 10.360 1.00 10.00 O ATOM 0 H GLY A 25 -6.724 -4.702 10.208 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.834 -4.568 10.903 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.436 -3.173 11.885 1.00 10.00 H new ATOM 363 N CYS A 26 -8.785 -2.672 8.636 1.00 10.00 N ATOM 364 CA CYS A 26 -9.365 -1.874 7.540 1.00 10.00 C ATOM 365 C CYS A 26 -9.174 -0.358 7.718 1.00 10.00 C ATOM 366 O CYS A 26 -8.614 0.300 6.841 1.00 10.00 O ATOM 367 CB CYS A 26 -10.828 -2.177 7.315 1.00 10.00 C ATOM 368 SG CYS A 26 -11.275 -3.937 7.220 1.00 10.00 S ATOM 0 H CYS A 26 -8.019 -3.258 8.304 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.804 -2.177 6.656 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.401 -1.721 8.122 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.140 -1.693 6.389 1.00 10.00 H new ATOM 373 N ASP A 27 -9.655 0.180 8.843 1.00 10.00 N ATOM 374 CA ASP A 27 -9.653 1.571 9.270 1.00 10.00 C ATOM 375 C ASP A 27 -8.329 2.269 8.940 1.00 10.00 C ATOM 376 O ASP A 27 -8.299 3.329 8.318 1.00 10.00 O ATOM 377 CB ASP A 27 -9.952 1.558 10.773 1.00 10.00 C ATOM 378 CG ASP A 27 -9.967 2.959 11.354 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.030 3.604 11.239 1.00 10.00 O ATOM 380 OD2 ASP A 27 -8.912 3.342 11.902 1.00 10.00 O ATOM 0 H ASP A 27 -10.099 -0.413 9.544 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.408 2.147 8.736 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -10.916 1.081 10.948 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -9.202 0.958 11.288 1.00 10.00 H new ATOM 385 N ALA A 28 -7.228 1.585 9.262 1.00 10.00 N ATOM 386 CA ALA A 28 -5.859 1.964 8.927 1.00 10.00 C ATOM 387 C ALA A 28 -5.647 2.517 7.504 1.00 10.00 C ATOM 388 O ALA A 28 -4.759 3.343 7.296 1.00 10.00 O ATOM 389 CB ALA A 28 -5.017 0.710 9.101 1.00 10.00 C ATOM 0 H ALA A 28 -7.272 0.712 9.788 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.579 2.787 9.584 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.977 0.934 8.863 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -5.087 0.365 10.133 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.383 -0.069 8.432 1.00 10.00 H new ATOM 395 N CYS A 29 -6.412 2.030 6.521 1.00 10.00 N ATOM 396 CA CYS A 29 -6.343 2.453 5.120 1.00 10.00 C ATOM 397 C CYS A 29 -7.632 3.153 4.651 1.00 10.00 C ATOM 398 O CYS A 29 -7.757 3.511 3.480 1.00 10.00 O ATOM 399 CB CYS A 29 -6.127 1.237 4.264 1.00 10.00 C ATOM 400 SG CYS A 29 -4.526 0.398 4.523 1.00 10.00 S ATOM 0 H CYS A 29 -7.116 1.310 6.684 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.523 3.165 5.029 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.930 0.526 4.457 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.204 1.528 3.216 1.00 10.00 H new ATOM 405 N HIS A 30 -8.621 3.299 5.531 1.00 10.00 N ATOM 406 CA HIS A 30 -9.991 3.600 5.165 1.00 10.00 C ATOM 407 C HIS A 30 -10.705 4.353 6.292 1.00 10.00 C ATOM 408 O HIS A 30 -11.319 3.730 7.152 1.00 10.00 O ATOM 409 CB HIS A 30 -10.694 2.270 4.846 1.00 10.00 C ATOM 410 CG HIS A 30 -10.320 1.615 3.548 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.418 2.173 2.301 1.00 10.00 N ATOM 412 CD2 HIS A 30 -10.039 0.293 3.373 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.173 1.204 1.394 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.932 0.028 1.997 1.00 10.00 N ATOM 0 H HIS A 30 -8.482 3.208 6.537 1.00 10.00 H new ATOM 0 HA HIS A 30 -10.015 4.251 4.291 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.485 1.570 5.655 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.770 2.444 4.844 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.637 3.148 2.095 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.918 -0.433 4.163 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.171 1.354 0.325 1.00 10.00 H new ATOM 422 N GLU A 31 -10.663 5.688 6.239 1.00 10.00 N ATOM 423 CA GLU A 31 -11.237 6.585 7.229 1.00 10.00 C ATOM 424 C GLU A 31 -12.739 6.339 7.471 1.00 10.00 C ATOM 425 O GLU A 31 -13.602 6.989 6.878 1.00 10.00 O ATOM 426 CB GLU A 31 -10.961 8.034 6.794 1.00 10.00 C ATOM 427 CG GLU A 31 -9.473 8.419 6.907 1.00 10.00 C ATOM 428 CD GLU A 31 -8.992 8.663 8.337 1.00 10.00 C ATOM 429 OE1 GLU A 31 -9.857 8.763 9.234 1.00 10.00 O ATOM 430 OE2 GLU A 31 -7.758 8.781 8.490 1.00 10.00 O ATOM 0 H GLU A 31 -10.209 6.186 5.473 1.00 10.00 H new ATOM 0 HA GLU A 31 -10.760 6.388 8.189 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.289 8.168 5.763 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -11.554 8.712 7.407 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -8.870 7.626 6.464 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.297 9.320 6.319 1.00 10.00 H new ATOM 437 N GLY A 32 -13.060 5.368 8.328 1.00 10.00 N ATOM 438 CA GLY A 32 -14.422 4.950 8.639 1.00 10.00 C ATOM 439 C GLY A 32 -15.076 4.177 7.486 1.00 10.00 C ATOM 440 O GLY A 32 -15.371 2.990 7.612 1.00 10.00 O ATOM 0 H GLY A 32 -12.355 4.836 8.839 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.412 4.325 9.532 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.024 5.828 8.871 1.00 10.00 H new ATOM 444 N THR A 33 -15.316 4.853 6.360 1.00 10.00 N ATOM 445 CA THR A 33 -15.998 4.285 5.194 1.00 10.00 C ATOM 446 C THR A 33 -14.987 3.747 4.172 1.00 10.00 C ATOM 447 O THR A 33 -14.232 4.534 3.600 1.00 10.00 O ATOM 448 CB THR A 33 -16.901 5.340 4.538 1.00 10.00 C ATOM 449 OG1 THR A 33 -17.847 5.792 5.481 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.686 4.755 3.359 1.00 10.00 C ATOM 0 H THR A 33 -15.038 5.826 6.230 1.00 10.00 H new ATOM 0 HA THR A 33 -16.614 3.453 5.536 1.00 10.00 H new ATOM 0 HB THR A 33 -16.259 6.147 4.186 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.425 6.467 5.067 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.314 5.530 2.920 1.00 10.00 H new ATOM 0 HG22 THR A 33 -16.990 4.383 2.607 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.313 3.936 3.710 1.00 10.00 H new ATOM 458 N PRO A 34 -14.959 2.434 3.895 1.00 10.00 N ATOM 459 CA PRO A 34 -14.088 1.877 2.874 1.00 10.00 C ATOM 460 C PRO A 34 -14.643 2.141 1.467 1.00 10.00 C ATOM 461 O PRO A 34 -15.847 2.056 1.237 1.00 10.00 O ATOM 462 CB PRO A 34 -14.025 0.386 3.189 1.00 10.00 C ATOM 463 CG PRO A 34 -15.415 0.103 3.760 1.00 10.00 C ATOM 464 CD PRO A 34 -15.739 1.383 4.531 1.00 10.00 C ATOM 0 HA PRO A 34 -13.097 2.332 2.882 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.825 -0.208 2.297 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -13.238 0.157 3.907 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -16.143 -0.089 2.972 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -15.413 -0.771 4.412 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.805 1.606 4.489 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.476 1.283 5.584 1.00 10.00 H new ATOM 472 N ALA A 35 -13.751 2.451 0.523 1.00 10.00 N ATOM 473 CA ALA A 35 -14.065 2.754 -0.872 1.00 10.00 C ATOM 474 C ALA A 35 -12.771 2.697 -1.694 1.00 10.00 C ATOM 475 O ALA A 35 -11.686 2.816 -1.120 1.00 10.00 O ATOM 476 CB ALA A 35 -14.697 4.148 -0.962 1.00 10.00 C ATOM 0 H ALA A 35 -12.751 2.499 0.719 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.773 2.025 -1.266 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.931 4.375 -2.002 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.612 4.171 -0.370 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.997 4.890 -0.578 1.00 10.00 H new ATOM 482 N LYS A 36 -12.851 2.497 -3.014 1.00 10.00 N ATOM 483 CA LYS A 36 -11.657 2.519 -3.861 1.00 10.00 C ATOM 484 C LYS A 36 -10.932 3.870 -3.841 1.00 10.00 C ATOM 485 O LYS A 36 -11.549 4.932 -3.905 1.00 10.00 O ATOM 486 CB LYS A 36 -11.977 2.065 -5.290 1.00 10.00 C ATOM 487 CG LYS A 36 -13.063 2.917 -5.966 1.00 10.00 C ATOM 488 CD LYS A 36 -13.584 2.197 -7.221 1.00 10.00 C ATOM 489 CE LYS A 36 -15.070 2.497 -7.482 1.00 10.00 C ATOM 490 NZ LYS A 36 -15.858 1.246 -7.507 1.00 10.00 N ATOM 0 H LYS A 36 -13.722 2.320 -3.514 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.961 1.799 -3.431 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.067 2.105 -5.889 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -12.300 1.024 -5.270 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.883 3.095 -5.271 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -12.657 3.892 -6.237 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -12.995 2.503 -8.086 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -13.446 1.122 -7.106 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -15.454 3.160 -6.706 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -15.179 3.021 -8.432 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -16.843 1.451 -7.244 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -15.833 0.839 -8.464 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -15.453 0.567 -6.831 1.00 10.00 H new ATOM 504 N ILE A 37 -9.602 3.803 -3.759 1.00 10.00 N ATOM 505 CA ILE A 37 -8.684 4.933 -3.774 1.00 10.00 C ATOM 506 C ILE A 37 -7.810 4.777 -5.023 1.00 10.00 C ATOM 507 O ILE A 37 -7.370 3.667 -5.318 1.00 10.00 O ATOM 508 CB ILE A 37 -7.836 4.900 -2.487 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.728 5.053 -1.238 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.769 6.007 -2.507 1.00 10.00 C ATOM 511 CD1 ILE A 37 -8.017 4.646 0.058 1.00 10.00 C ATOM 0 H ILE A 37 -9.115 2.910 -3.676 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.205 5.890 -3.806 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.336 3.932 -2.443 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.055 6.090 -1.157 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.624 4.445 -1.361 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.183 5.964 -1.589 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.111 5.863 -3.364 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.255 6.980 -2.582 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.695 4.776 0.901 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.713 3.601 -0.006 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -7.136 5.272 0.202 1.00 10.00 H new ATOM 523 N ALA A 38 -7.552 5.857 -5.767 1.00 10.00 N ATOM 524 CA ALA A 38 -6.654 5.773 -6.914 1.00 10.00 C ATOM 525 C ALA A 38 -5.196 5.629 -6.470 1.00 10.00 C ATOM 526 O ALA A 38 -4.589 6.563 -5.940 1.00 10.00 O ATOM 527 CB ALA A 38 -6.833 6.966 -7.842 1.00 10.00 C ATOM 0 H ALA A 38 -7.946 6.782 -5.597 1.00 10.00 H new ATOM 0 HA ALA A 38 -6.917 4.876 -7.474 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.151 6.875 -8.687 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.860 6.993 -8.206 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -6.617 7.886 -7.298 1.00 10.00 H new ATOM 533 N ILE A 39 -4.668 4.423 -6.652 1.00 10.00 N ATOM 534 CA ILE A 39 -3.291 4.070 -6.359 1.00 10.00 C ATOM 535 C ILE A 39 -2.454 4.024 -7.634 1.00 10.00 C ATOM 536 O ILE A 39 -2.545 3.089 -8.428 1.00 10.00 O ATOM 537 CB ILE A 39 -3.230 2.754 -5.591 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.088 2.823 -4.322 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.766 2.457 -5.247 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.680 3.898 -3.306 1.00 10.00 C ATOM 0 H ILE A 39 -5.209 3.641 -7.020 1.00 10.00 H new ATOM 0 HA ILE A 39 -2.862 4.844 -5.723 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.630 1.950 -6.208 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.124 2.998 -4.614 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.056 1.851 -3.829 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.705 1.518 -4.697 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.185 2.378 -6.166 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.366 3.264 -4.633 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.351 3.861 -2.448 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.657 3.717 -2.976 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.742 4.881 -3.772 1.00 10.00 H new ATOM 552 N ASP A 40 -1.613 5.040 -7.776 1.00 10.00 N ATOM 553 CA ASP A 40 -0.761 5.290 -8.919 1.00 10.00 C ATOM 554 C ASP A 40 0.661 5.557 -8.414 1.00 10.00 C ATOM 555 O ASP A 40 0.870 5.806 -7.221 1.00 10.00 O ATOM 556 CB ASP A 40 -1.286 6.556 -9.629 1.00 10.00 C ATOM 557 CG ASP A 40 -2.785 6.558 -9.897 1.00 10.00 C ATOM 558 OD1 ASP A 40 -3.530 6.865 -8.940 1.00 10.00 O ATOM 559 OD2 ASP A 40 -3.150 6.325 -11.067 1.00 10.00 O ATOM 0 H ASP A 40 -1.505 5.750 -7.051 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.760 4.440 -9.601 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.038 7.426 -9.022 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -0.761 6.669 -10.577 1.00 10.00 H new ATOM 564 N LYS A 41 1.611 5.685 -9.339 1.00 10.00 N ATOM 565 CA LYS A 41 2.916 6.328 -9.170 1.00 10.00 C ATOM 566 C LYS A 41 2.876 7.831 -8.786 1.00 10.00 C ATOM 567 O LYS A 41 3.731 8.610 -9.202 1.00 10.00 O ATOM 568 CB LYS A 41 3.774 6.038 -10.418 1.00 10.00 C ATOM 569 CG LYS A 41 3.139 6.424 -11.770 1.00 10.00 C ATOM 570 CD LYS A 41 3.968 5.803 -12.910 1.00 10.00 C ATOM 571 CE LYS A 41 3.181 5.633 -14.221 1.00 10.00 C ATOM 572 NZ LYS A 41 3.820 4.662 -15.146 1.00 10.00 N ATOM 0 H LYS A 41 1.484 5.321 -10.283 1.00 10.00 H new ATOM 0 HA LYS A 41 3.384 5.885 -8.291 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.721 6.569 -10.317 1.00 10.00 H new ATOM 0 HB3 LYS A 41 4.006 4.973 -10.437 1.00 10.00 H new ATOM 0 HG2 LYS A 41 2.109 6.069 -11.817 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.108 7.508 -11.875 1.00 10.00 H new ATOM 0 HD2 LYS A 41 4.839 6.430 -13.098 1.00 10.00 H new ATOM 0 HD3 LYS A 41 4.339 4.829 -12.590 1.00 10.00 H new ATOM 0 HE2 LYS A 41 2.168 5.300 -13.993 1.00 10.00 H new ATOM 0 HE3 LYS A 41 3.094 6.600 -14.717 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 3.364 4.719 -16.079 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 4.831 4.886 -15.241 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.713 3.699 -14.767 1.00 10.00 H new ATOM 586 N LYS A 42 1.925 8.220 -7.930 1.00 10.00 N ATOM 587 CA LYS A 42 1.809 9.474 -7.199 1.00 10.00 C ATOM 588 C LYS A 42 1.403 9.129 -5.758 1.00 10.00 C ATOM 589 O LYS A 42 2.219 9.179 -4.840 1.00 10.00 O ATOM 590 CB LYS A 42 0.737 10.366 -7.844 1.00 10.00 C ATOM 591 CG LYS A 42 1.215 11.085 -9.107 1.00 10.00 C ATOM 592 CD LYS A 42 0.046 11.926 -9.644 1.00 10.00 C ATOM 593 CE LYS A 42 0.491 12.821 -10.806 1.00 10.00 C ATOM 594 NZ LYS A 42 -0.645 13.598 -11.348 1.00 10.00 N ATOM 0 H LYS A 42 1.144 7.600 -7.715 1.00 10.00 H new ATOM 0 HA LYS A 42 2.755 10.016 -7.216 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -0.131 9.755 -8.091 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.408 11.108 -7.116 1.00 10.00 H new ATOM 0 HG2 LYS A 42 2.071 11.721 -8.883 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.542 10.364 -9.856 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.756 11.267 -9.976 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -0.360 12.543 -8.842 1.00 10.00 H new ATOM 0 HE2 LYS A 42 1.271 13.502 -10.466 1.00 10.00 H new ATOM 0 HE3 LYS A 42 0.925 12.207 -11.596 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -0.314 14.195 -12.133 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.378 12.946 -11.693 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -1.042 14.200 -10.599 1.00 10.00 H new ATOM 608 N SER A 43 0.142 8.729 -5.571 1.00 10.00 N ATOM 609 CA SER A 43 -0.427 8.281 -4.306 1.00 10.00 C ATOM 610 C SER A 43 0.455 7.222 -3.635 1.00 10.00 C ATOM 611 O SER A 43 0.906 7.426 -2.510 1.00 10.00 O ATOM 612 CB SER A 43 -1.850 7.772 -4.581 1.00 10.00 C ATOM 613 OG SER A 43 -1.896 7.123 -5.840 1.00 10.00 O ATOM 0 H SER A 43 -0.536 8.709 -6.333 1.00 10.00 H new ATOM 0 HA SER A 43 -0.473 9.110 -3.600 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.157 7.082 -3.795 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.553 8.605 -4.566 1.00 10.00 H new ATOM 0 HG SER A 43 -2.526 7.591 -6.426 1.00 10.00 H new ATOM 619 N ALA A 44 0.771 6.131 -4.343 1.00 10.00 N ATOM 620 CA ALA A 44 1.626 5.066 -3.817 1.00 10.00 C ATOM 621 C ALA A 44 3.025 5.534 -3.394 1.00 10.00 C ATOM 622 O ALA A 44 3.726 4.819 -2.678 1.00 10.00 O ATOM 623 CB ALA A 44 1.800 3.980 -4.878 1.00 10.00 C ATOM 0 H ALA A 44 0.441 5.964 -5.294 1.00 10.00 H new ATOM 0 HA ALA A 44 1.120 4.697 -2.925 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.437 3.187 -4.486 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.826 3.567 -5.139 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.262 4.410 -5.767 1.00 10.00 H new ATOM 629 N HIS A 45 3.466 6.691 -3.901 1.00 10.00 N ATOM 630 CA HIS A 45 4.818 7.206 -3.741 1.00 10.00 C ATOM 631 C HIS A 45 4.901 8.369 -2.738 1.00 10.00 C ATOM 632 O HIS A 45 5.939 8.549 -2.103 1.00 10.00 O ATOM 633 CB HIS A 45 5.339 7.637 -5.120 1.00 10.00 C ATOM 634 CG HIS A 45 5.467 6.549 -6.165 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.784 6.770 -7.488 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.617 5.207 -5.933 1.00 10.00 C ATOM 637 CE1 HIS A 45 6.153 5.590 -8.019 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.072 4.604 -7.114 1.00 10.00 N ATOM 0 H HIS A 45 2.868 7.309 -4.450 1.00 10.00 H new ATOM 0 HA HIS A 45 5.440 6.412 -3.328 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.674 8.408 -5.510 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.318 8.098 -4.986 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.746 7.665 -7.976 1.00 10.00 H new ATOM 0 HD2 HIS A 45 5.419 4.700 -5.000 1.00 10.00 H new ATOM 0 HE1 HIS A 45 6.473 5.455 -9.042 1.00 10.00 H new ATOM 646 N LYS A 46 3.823 9.140 -2.575 1.00 10.00 N ATOM 647 CA LYS A 46 3.759 10.250 -1.629 1.00 10.00 C ATOM 648 C LYS A 46 3.513 9.743 -0.202 1.00 10.00 C ATOM 649 O LYS A 46 4.409 9.771 0.643 1.00 10.00 O ATOM 650 CB LYS A 46 2.650 11.231 -2.058 1.00 10.00 C ATOM 651 CG LYS A 46 3.055 12.061 -3.277 1.00 10.00 C ATOM 652 CD LYS A 46 1.885 12.887 -3.838 1.00 10.00 C ATOM 653 CE LYS A 46 1.310 13.918 -2.850 1.00 10.00 C ATOM 654 NZ LYS A 46 0.147 13.399 -2.094 1.00 10.00 N ATOM 0 H LYS A 46 2.961 9.007 -3.104 1.00 10.00 H new ATOM 0 HA LYS A 46 4.717 10.771 -1.633 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.742 10.673 -2.286 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.415 11.898 -1.228 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.870 12.730 -3.003 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.434 11.398 -4.055 1.00 10.00 H new ATOM 0 HD2 LYS A 46 2.220 13.408 -4.735 1.00 10.00 H new ATOM 0 HD3 LYS A 46 1.088 12.208 -4.142 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.089 14.217 -2.149 1.00 10.00 H new ATOM 0 HE3 LYS A 46 1.013 14.813 -3.397 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -0.466 14.191 -1.813 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -0.391 12.741 -2.693 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 0.480 12.900 -1.244 1.00 10.00 H new ATOM 668 N ASP A 47 2.270 9.335 0.055 1.00 10.00 N ATOM 669 CA ASP A 47 1.656 9.261 1.363 1.00 10.00 C ATOM 670 C ASP A 47 0.898 7.940 1.550 1.00 10.00 C ATOM 671 O ASP A 47 1.203 7.178 2.468 1.00 10.00 O ATOM 672 CB ASP A 47 0.759 10.501 1.501 1.00 10.00 C ATOM 673 CG ASP A 47 0.013 10.891 0.232 1.00 10.00 C ATOM 674 OD1 ASP A 47 -0.254 9.998 -0.601 1.00 10.00 O ATOM 675 OD2 ASP A 47 -0.166 12.110 0.039 1.00 10.00 O ATOM 0 H ASP A 47 1.639 9.034 -0.688 1.00 10.00 H new ATOM 0 HA ASP A 47 2.404 9.264 2.156 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.032 10.320 2.293 1.00 10.00 H new ATOM 0 HB3 ASP A 47 1.373 11.344 1.819 1.00 10.00 H new ATOM 680 N ALA A 48 -0.064 7.647 0.671 1.00 10.00 N ATOM 681 CA ALA A 48 -0.727 6.347 0.632 1.00 10.00 C ATOM 682 C ALA A 48 0.319 5.222 0.612 1.00 10.00 C ATOM 683 O ALA A 48 1.225 5.220 -0.221 1.00 10.00 O ATOM 684 CB ALA A 48 -1.671 6.261 -0.569 1.00 10.00 C ATOM 0 H ALA A 48 -0.403 8.305 -0.031 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.331 6.228 1.531 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.156 5.285 -0.581 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.428 7.042 -0.493 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.102 6.395 -1.489 1.00 10.00 H new ATOM 690 N CYS A 49 0.239 4.312 1.590 1.00 10.00 N ATOM 691 CA CYS A 49 1.214 3.245 1.840 1.00 10.00 C ATOM 692 C CYS A 49 2.535 3.788 2.382 1.00 10.00 C ATOM 693 O CYS A 49 2.928 3.456 3.504 1.00 10.00 O ATOM 694 CB CYS A 49 1.406 2.351 0.636 1.00 10.00 C ATOM 695 SG CYS A 49 -0.239 1.826 0.055 1.00 10.00 S ATOM 0 H CYS A 49 -0.536 4.298 2.253 1.00 10.00 H new ATOM 0 HA CYS A 49 0.795 2.615 2.624 1.00 10.00 H new ATOM 0 HB2 CYS A 49 1.937 2.884 -0.153 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.012 1.484 0.898 1.00 10.00 H new ATOM 700 N LYS A 50 3.214 4.634 1.602 1.00 10.00 N ATOM 701 CA LYS A 50 4.456 5.273 2.000 1.00 10.00 C ATOM 702 C LYS A 50 4.463 5.791 3.442 1.00 10.00 C ATOM 703 O LYS A 50 5.291 5.330 4.214 1.00 10.00 O ATOM 704 CB LYS A 50 4.792 6.377 1.000 1.00 10.00 C ATOM 705 CG LYS A 50 5.389 5.776 -0.276 1.00 10.00 C ATOM 706 CD LYS A 50 6.918 5.912 -0.365 1.00 10.00 C ATOM 707 CE LYS A 50 7.647 5.148 0.751 1.00 10.00 C ATOM 708 NZ LYS A 50 9.118 5.217 0.599 1.00 10.00 N ATOM 0 H LYS A 50 2.906 4.893 0.665 1.00 10.00 H new ATOM 0 HA LYS A 50 5.232 4.508 1.985 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.893 6.943 0.757 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.499 7.077 1.445 1.00 10.00 H new ATOM 0 HG2 LYS A 50 5.123 4.720 -0.329 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.939 6.262 -1.141 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.256 5.543 -1.333 1.00 10.00 H new ATOM 0 HD3 LYS A 50 7.188 6.967 -0.314 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.363 5.561 1.719 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.330 4.105 0.744 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 9.552 4.379 1.036 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 9.362 5.246 -0.412 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 9.475 6.075 1.066 1.00 10.00 H new ATOM 722 N THR A 51 3.598 6.732 3.825 1.00 10.00 N ATOM 723 CA THR A 51 3.657 7.377 5.150 1.00 10.00 C ATOM 724 C THR A 51 3.575 6.370 6.301 1.00 10.00 C ATOM 725 O THR A 51 4.394 6.408 7.222 1.00 10.00 O ATOM 726 CB THR A 51 2.579 8.465 5.289 1.00 10.00 C ATOM 727 OG1 THR A 51 2.929 9.561 4.479 1.00 10.00 O ATOM 728 CG2 THR A 51 2.456 9.005 6.718 1.00 10.00 C ATOM 0 H THR A 51 2.839 7.071 3.234 1.00 10.00 H new ATOM 0 HA THR A 51 4.635 7.854 5.220 1.00 10.00 H new ATOM 0 HB THR A 51 1.634 8.005 5.000 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.246 10.259 4.560 1.00 10.00 H new ATOM 0 HG21 THR A 51 1.680 9.769 6.753 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.194 8.191 7.393 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.407 9.440 7.026 1.00 10.00 H new ATOM 736 N CYS A 52 2.601 5.456 6.243 1.00 10.00 N ATOM 737 CA CYS A 52 2.488 4.374 7.220 1.00 10.00 C ATOM 738 C CYS A 52 3.809 3.610 7.307 1.00 10.00 C ATOM 739 O CYS A 52 4.400 3.493 8.378 1.00 10.00 O ATOM 740 CB CYS A 52 1.347 3.462 6.861 1.00 10.00 C ATOM 741 SG CYS A 52 1.172 2.191 8.147 1.00 10.00 S ATOM 0 H CYS A 52 1.877 5.446 5.525 1.00 10.00 H new ATOM 0 HA CYS A 52 2.277 4.797 8.202 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.423 4.034 6.770 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.530 2.995 5.893 1.00 10.00 H new ATOM 746 N HIS A 53 4.319 3.164 6.159 1.00 10.00 N ATOM 747 CA HIS A 53 5.621 2.527 6.091 1.00 10.00 C ATOM 748 C HIS A 53 6.751 3.383 6.717 1.00 10.00 C ATOM 749 O HIS A 53 7.474 2.901 7.587 1.00 10.00 O ATOM 750 CB HIS A 53 5.861 2.114 4.633 1.00 10.00 C ATOM 751 CG HIS A 53 5.326 0.739 4.348 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.998 -0.390 4.707 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.055 0.363 4.004 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.165 -1.429 4.570 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.955 -1.037 4.143 1.00 10.00 N ATOM 0 H HIS A 53 3.841 3.236 5.261 1.00 10.00 H new ATOM 0 HA HIS A 53 5.635 1.631 6.711 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.385 2.834 3.968 1.00 10.00 H new ATOM 0 HB3 HIS A 53 6.929 2.140 4.419 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.966 -0.436 5.025 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.265 1.025 3.682 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.433 -2.454 4.777 1.00 10.00 H new ATOM 763 N LYS A 54 6.907 4.651 6.321 1.00 10.00 N ATOM 764 CA LYS A 54 7.876 5.583 6.904 1.00 10.00 C ATOM 765 C LYS A 54 7.858 5.555 8.437 1.00 10.00 C ATOM 766 O LYS A 54 8.905 5.458 9.071 1.00 10.00 O ATOM 767 CB LYS A 54 7.640 7.005 6.415 1.00 10.00 C ATOM 768 CG LYS A 54 7.893 7.137 4.917 1.00 10.00 C ATOM 769 CD LYS A 54 8.301 8.585 4.670 1.00 10.00 C ATOM 770 CE LYS A 54 8.187 8.976 3.190 1.00 10.00 C ATOM 771 NZ LYS A 54 8.461 10.416 2.986 1.00 10.00 N ATOM 0 H LYS A 54 6.352 5.065 5.572 1.00 10.00 H new ATOM 0 HA LYS A 54 8.859 5.251 6.571 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.615 7.301 6.638 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.294 7.689 6.956 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.678 6.453 4.595 1.00 10.00 H new ATOM 0 HG3 LYS A 54 6.998 6.885 4.349 1.00 10.00 H new ATOM 0 HD2 LYS A 54 7.672 9.245 5.268 1.00 10.00 H new ATOM 0 HD3 LYS A 54 9.328 8.734 5.005 1.00 10.00 H new ATOM 0 HE2 LYS A 54 8.888 8.384 2.601 1.00 10.00 H new ATOM 0 HE3 LYS A 54 7.187 8.740 2.826 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 8.375 10.646 1.975 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 7.776 10.980 3.529 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 9.424 10.635 3.311 1.00 10.00 H new ATOM 785 N SER A 55 6.661 5.635 9.025 1.00 10.00 N ATOM 786 CA SER A 55 6.494 5.690 10.477 1.00 10.00 C ATOM 787 C SER A 55 6.510 4.315 11.176 1.00 10.00 C ATOM 788 O SER A 55 6.145 4.247 12.349 1.00 10.00 O ATOM 789 CB SER A 55 5.203 6.457 10.789 1.00 10.00 C ATOM 790 OG SER A 55 5.114 6.724 12.175 1.00 10.00 O ATOM 0 H SER A 55 5.783 5.663 8.507 1.00 10.00 H new ATOM 0 HA SER A 55 7.362 6.209 10.884 1.00 10.00 H new ATOM 0 HB2 SER A 55 5.183 7.392 10.229 1.00 10.00 H new ATOM 0 HB3 SER A 55 4.339 5.875 10.468 1.00 10.00 H new ATOM 0 HG SER A 55 5.442 5.950 12.679 1.00 10.00 H new ATOM 796 N ASN A 56 6.908 3.228 10.499 1.00 10.00 N ATOM 797 CA ASN A 56 6.883 1.875 11.073 1.00 10.00 C ATOM 798 C ASN A 56 8.053 0.991 10.612 1.00 10.00 C ATOM 799 O ASN A 56 8.681 0.314 11.422 1.00 10.00 O ATOM 800 CB ASN A 56 5.557 1.192 10.714 1.00 10.00 C ATOM 801 CG ASN A 56 4.377 1.751 11.500 1.00 10.00 C ATOM 802 OD1 ASN A 56 4.101 1.318 12.611 1.00 10.00 O ATOM 803 ND2 ASN A 56 3.639 2.690 10.931 1.00 10.00 N ATOM 0 H ASN A 56 7.255 3.262 9.541 1.00 10.00 H new ATOM 0 HA ASN A 56 6.984 1.992 12.152 1.00 10.00 H new ATOM 0 HB2 ASN A 56 5.368 1.313 9.647 1.00 10.00 H new ATOM 0 HB3 ASN A 56 5.641 0.122 10.904 1.00 10.00 H new ATOM 0 HD21 ASN A 56 2.825 3.065 11.419 1.00 10.00 H new ATOM 0 HD22 ASN A 56 3.884 3.039 10.004 1.00 10.00 H new ATOM 810 N ASN A 57 8.272 0.931 9.299 1.00 10.00 N ATOM 811 CA ASN A 57 9.261 0.135 8.573 1.00 10.00 C ATOM 812 C ASN A 57 8.955 0.242 7.073 1.00 10.00 C ATOM 813 O ASN A 57 7.809 0.076 6.663 1.00 10.00 O ATOM 814 CB ASN A 57 9.282 -1.337 9.019 1.00 10.00 C ATOM 815 CG ASN A 57 7.898 -1.976 9.095 1.00 10.00 C ATOM 816 OD1 ASN A 57 7.384 -2.511 8.122 1.00 10.00 O ATOM 817 ND2 ASN A 57 7.289 -1.948 10.271 1.00 10.00 N ATOM 0 H ASN A 57 7.710 1.490 8.657 1.00 10.00 H new ATOM 0 HA ASN A 57 10.253 0.530 8.793 1.00 10.00 H new ATOM 0 HB2 ASN A 57 9.899 -1.909 8.325 1.00 10.00 H new ATOM 0 HB3 ASN A 57 9.757 -1.404 9.998 1.00 10.00 H new ATOM 0 HD21 ASN A 57 6.371 -2.379 10.380 1.00 10.00 H new ATOM 0 HD22 ASN A 57 7.738 -1.496 11.067 1.00 10.00 H new ATOM 824 N GLY A 58 9.956 0.550 6.245 1.00 10.00 N ATOM 825 CA GLY A 58 9.759 0.784 4.816 1.00 10.00 C ATOM 826 C GLY A 58 10.833 0.110 3.955 1.00 10.00 C ATOM 827 O GLY A 58 12.019 0.305 4.221 1.00 10.00 O ATOM 0 H GLY A 58 10.925 0.644 6.548 1.00 10.00 H new ATOM 0 HA2 GLY A 58 8.777 0.412 4.523 1.00 10.00 H new ATOM 0 HA3 GLY A 58 9.764 1.857 4.623 1.00 10.00 H new ATOM 831 N PRO A 59 10.459 -0.620 2.885 1.00 10.00 N ATOM 832 CA PRO A 59 11.430 -1.202 1.962 1.00 10.00 C ATOM 833 C PRO A 59 12.299 -0.111 1.321 1.00 10.00 C ATOM 834 O PRO A 59 13.491 -0.314 1.093 1.00 10.00 O ATOM 835 CB PRO A 59 10.602 -1.980 0.935 1.00 10.00 C ATOM 836 CG PRO A 59 9.258 -1.259 0.939 1.00 10.00 C ATOM 837 CD PRO A 59 9.102 -0.830 2.395 1.00 10.00 C ATOM 0 HA PRO A 59 12.135 -1.865 2.465 1.00 10.00 H new ATOM 0 HB2 PRO A 59 11.065 -1.960 -0.052 1.00 10.00 H new ATOM 0 HB3 PRO A 59 10.496 -3.028 1.216 1.00 10.00 H new ATOM 0 HG2 PRO A 59 9.257 -0.403 0.264 1.00 10.00 H new ATOM 0 HG3 PRO A 59 8.447 -1.915 0.623 1.00 10.00 H new ATOM 0 HD2 PRO A 59 8.510 0.082 2.474 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.588 -1.595 2.977 1.00 10.00 H new ATOM 845 N THR A 60 11.705 1.067 1.082 1.00 10.00 N ATOM 846 CA THR A 60 12.385 2.327 0.768 1.00 10.00 C ATOM 847 C THR A 60 12.961 2.358 -0.649 1.00 10.00 C ATOM 848 O THR A 60 12.502 3.137 -1.482 1.00 10.00 O ATOM 849 CB THR A 60 13.421 2.686 1.853 1.00 10.00 C ATOM 850 OG1 THR A 60 12.763 2.748 3.102 1.00 10.00 O ATOM 851 CG2 THR A 60 14.052 4.056 1.606 1.00 10.00 C ATOM 0 H THR A 60 10.690 1.169 1.104 1.00 10.00 H new ATOM 0 HA THR A 60 11.629 3.112 0.779 1.00 10.00 H new ATOM 0 HB THR A 60 14.201 1.925 1.833 1.00 10.00 H new ATOM 0 HG1 THR A 60 12.588 1.839 3.425 1.00 10.00 H new ATOM 0 HG21 THR A 60 14.776 4.270 2.392 1.00 10.00 H new ATOM 0 HG22 THR A 60 14.556 4.056 0.640 1.00 10.00 H new ATOM 0 HG23 THR A 60 13.275 4.820 1.610 1.00 10.00 H new ATOM 859 N LYS A 61 13.949 1.504 -0.922 1.00 10.00 N ATOM 860 CA LYS A 61 14.525 1.302 -2.248 1.00 10.00 C ATOM 861 C LYS A 61 13.443 0.914 -3.269 1.00 10.00 C ATOM 862 O LYS A 61 12.620 0.042 -2.988 1.00 10.00 O ATOM 863 CB LYS A 61 15.622 0.230 -2.143 1.00 10.00 C ATOM 864 CG LYS A 61 15.075 -1.146 -1.715 1.00 10.00 C ATOM 865 CD LYS A 61 15.891 -1.769 -0.577 1.00 10.00 C ATOM 866 CE LYS A 61 15.203 -3.061 -0.112 1.00 10.00 C ATOM 867 NZ LYS A 61 15.842 -3.620 1.097 1.00 10.00 N ATOM 0 H LYS A 61 14.380 0.919 -0.206 1.00 10.00 H new ATOM 0 HA LYS A 61 14.966 2.232 -2.606 1.00 10.00 H new ATOM 0 HB2 LYS A 61 16.122 0.133 -3.107 1.00 10.00 H new ATOM 0 HB3 LYS A 61 16.374 0.556 -1.425 1.00 10.00 H new ATOM 0 HG2 LYS A 61 14.037 -1.039 -1.399 1.00 10.00 H new ATOM 0 HG3 LYS A 61 15.079 -1.819 -2.573 1.00 10.00 H new ATOM 0 HD2 LYS A 61 16.905 -1.984 -0.915 1.00 10.00 H new ATOM 0 HD3 LYS A 61 15.974 -1.068 0.253 1.00 10.00 H new ATOM 0 HE2 LYS A 61 14.152 -2.859 0.093 1.00 10.00 H new ATOM 0 HE3 LYS A 61 15.235 -3.799 -0.914 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 15.349 -4.491 1.379 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 16.839 -3.837 0.894 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 15.789 -2.926 1.870 1.00 10.00 H new ATOM 881 N CYS A 62 13.437 1.536 -4.454 1.00 10.00 N ATOM 882 CA CYS A 62 12.417 1.299 -5.480 1.00 10.00 C ATOM 883 C CYS A 62 12.173 -0.202 -5.703 1.00 10.00 C ATOM 884 O CYS A 62 11.076 -0.700 -5.460 1.00 10.00 O ATOM 885 CB CYS A 62 12.783 1.989 -6.773 1.00 10.00 C ATOM 886 SG CYS A 62 13.308 3.723 -6.555 1.00 10.00 S ATOM 0 H CYS A 62 14.142 2.220 -4.728 1.00 10.00 H new ATOM 0 HA CYS A 62 11.483 1.728 -5.119 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.586 1.433 -7.256 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.926 1.960 -7.446 1.00 10.00 H new ATOM 891 N GLY A 63 13.204 -0.956 -6.091 1.00 10.00 N ATOM 892 CA GLY A 63 13.113 -2.406 -6.288 1.00 10.00 C ATOM 893 C GLY A 63 12.505 -3.174 -5.101 1.00 10.00 C ATOM 894 O GLY A 63 11.918 -4.236 -5.281 1.00 10.00 O ATOM 0 H GLY A 63 14.132 -0.576 -6.279 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.513 -2.602 -7.177 1.00 10.00 H new ATOM 0 HA3 GLY A 63 14.111 -2.797 -6.484 1.00 10.00 H new ATOM 898 N GLY A 64 12.593 -2.630 -3.882 1.00 10.00 N ATOM 899 CA GLY A 64 11.963 -3.219 -2.706 1.00 10.00 C ATOM 900 C GLY A 64 10.430 -3.244 -2.781 1.00 10.00 C ATOM 901 O GLY A 64 9.810 -4.114 -2.177 1.00 10.00 O ATOM 0 H GLY A 64 13.104 -1.769 -3.688 1.00 10.00 H new ATOM 0 HA2 GLY A 64 12.329 -4.238 -2.579 1.00 10.00 H new ATOM 0 HA3 GLY A 64 12.267 -2.659 -1.822 1.00 10.00 H new ATOM 905 N CYS A 65 9.816 -2.303 -3.512 1.00 10.00 N ATOM 906 CA CYS A 65 8.361 -2.265 -3.708 1.00 10.00 C ATOM 907 C CYS A 65 7.895 -2.926 -5.015 1.00 10.00 C ATOM 908 O CYS A 65 6.702 -3.157 -5.162 1.00 10.00 O ATOM 909 CB CYS A 65 7.851 -0.845 -3.649 1.00 10.00 C ATOM 910 SG CYS A 65 7.582 -0.260 -1.944 1.00 10.00 S ATOM 0 H CYS A 65 10.314 -1.548 -3.983 1.00 10.00 H new ATOM 0 HA CYS A 65 7.939 -2.849 -2.890 1.00 10.00 H new ATOM 0 HB2 CYS A 65 8.564 -0.187 -4.146 1.00 10.00 H new ATOM 0 HB3 CYS A 65 6.915 -0.777 -4.203 1.00 10.00 H new ATOM 915 N HIS A 66 8.783 -3.206 -5.976 1.00 10.00 N ATOM 916 CA HIS A 66 8.394 -3.724 -7.292 1.00 10.00 C ATOM 917 C HIS A 66 9.413 -4.796 -7.717 1.00 10.00 C ATOM 918 O HIS A 66 10.576 -4.466 -7.945 1.00 10.00 O ATOM 919 CB HIS A 66 8.255 -2.589 -8.341 1.00 10.00 C ATOM 920 CG HIS A 66 8.076 -1.200 -7.810 1.00 10.00 C ATOM 921 ND1 HIS A 66 9.038 -0.584 -7.080 1.00 10.00 N ATOM 922 CD2 HIS A 66 7.119 -0.258 -8.088 1.00 10.00 C ATOM 923 CE1 HIS A 66 8.663 0.671 -6.855 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.501 0.946 -7.454 1.00 10.00 N ATOM 0 H HIS A 66 9.789 -3.080 -5.863 1.00 10.00 H new ATOM 0 HA HIS A 66 7.407 -4.181 -7.227 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.143 -2.600 -8.973 1.00 10.00 H new ATOM 0 HB3 HIS A 66 7.404 -2.820 -8.982 1.00 10.00 H new ATOM 0 HD1 HIS A 66 9.905 -1.013 -6.757 1.00 10.00 H new ATOM 0 HD2 HIS A 66 6.232 -0.409 -8.685 1.00 10.00 H new ATOM 0 HE1 HIS A 66 9.226 1.378 -6.264 1.00 10.00 H new ATOM 932 N ILE A 67 9.009 -6.070 -7.790 1.00 10.00 N ATOM 933 CA ILE A 67 9.965 -7.171 -7.983 1.00 10.00 C ATOM 934 C ILE A 67 10.695 -7.092 -9.333 1.00 10.00 C ATOM 935 O ILE A 67 10.055 -6.980 -10.375 1.00 10.00 O ATOM 936 CB ILE A 67 9.278 -8.543 -7.871 1.00 10.00 C ATOM 937 CG1 ILE A 67 8.315 -8.666 -6.681 1.00 10.00 C ATOM 938 CG2 ILE A 67 10.321 -9.670 -7.816 1.00 10.00 C ATOM 939 CD1 ILE A 67 8.922 -8.273 -5.328 1.00 10.00 C ATOM 0 H ILE A 67 8.035 -6.364 -7.719 1.00 10.00 H new ATOM 0 HA ILE A 67 10.700 -7.062 -7.185 1.00 10.00 H new ATOM 0 HB ILE A 67 8.670 -8.638 -8.771 1.00 10.00 H new ATOM 0 HG12 ILE A 67 7.443 -8.040 -6.869 1.00 10.00 H new ATOM 0 HG13 ILE A 67 7.961 -9.695 -6.621 1.00 10.00 H new ATOM 0 HG21 ILE A 67 9.814 -10.632 -7.737 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.925 -9.652 -8.723 1.00 10.00 H new ATOM 0 HG23 ILE A 67 10.965 -9.527 -6.949 1.00 10.00 H new ATOM 0 HD11 ILE A 67 8.173 -8.390 -4.545 1.00 10.00 H new ATOM 0 HD12 ILE A 67 9.776 -8.915 -5.112 1.00 10.00 H new ATOM 0 HD13 ILE A 67 9.249 -7.234 -5.364 1.00 10.00 H new ATOM 951 N LYS A 68 12.025 -7.207 -9.320 1.00 10.00 N ATOM 952 CA LYS A 68 12.832 -7.268 -10.525 1.00 10.00 C ATOM 953 C LYS A 68 12.635 -8.566 -11.316 1.00 10.00 C ATOM 954 O LYS A 68 12.493 -8.475 -12.558 1.00 10.00 O ATOM 955 CB LYS A 68 14.305 -7.064 -10.127 1.00 10.00 C ATOM 956 CG LYS A 68 15.278 -7.396 -11.269 1.00 10.00 C ATOM 957 CD LYS A 68 15.860 -8.824 -11.170 1.00 10.00 C ATOM 958 CE LYS A 68 15.818 -9.633 -12.478 1.00 10.00 C ATOM 959 NZ LYS A 68 14.450 -10.105 -12.788 1.00 10.00 N ATOM 960 OXT LYS A 68 12.872 -9.664 -10.761 1.00 10.00 O ATOM 0 H LYS A 68 12.571 -7.260 -8.460 1.00 10.00 H new ATOM 0 HA LYS A 68 12.511 -6.475 -11.200 1.00 10.00 H new ATOM 0 HB2 LYS A 68 14.454 -6.030 -9.817 1.00 10.00 H new ATOM 0 HB3 LYS A 68 14.535 -7.691 -9.265 1.00 10.00 H new ATOM 0 HG2 LYS A 68 14.762 -7.285 -12.223 1.00 10.00 H new ATOM 0 HG3 LYS A 68 16.096 -6.675 -11.264 1.00 10.00 H new ATOM 0 HD2 LYS A 68 16.895 -8.756 -10.835 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.312 -9.372 -10.403 1.00 10.00 H new ATOM 0 HE2 LYS A 68 16.185 -9.016 -13.299 1.00 10.00 H new ATOM 0 HE3 LYS A 68 16.488 -10.489 -12.398 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 14.499 -10.879 -13.480 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 13.995 -10.447 -11.917 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 13.894 -9.321 -13.184 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.467 -1.697 1.108 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.297 -0.935 -2.018 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.562 -2.425 1.846 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.365 -3.243 3.784 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.647 -0.080 0.782 1.00 10.00 C HETATM 980 NA HEC A 130 -11.079 -1.706 0.119 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.242 -1.368 -1.169 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.653 -1.375 -1.505 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.297 -1.781 -0.372 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.273 -1.983 0.622 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.795 -1.947 -0.193 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.302 -0.550 -2.599 1.00 10.00 C HETATM 987 CBA HEC A 130 -14.108 -1.227 -3.718 1.00 10.00 C HETATM 988 CGA HEC A 130 -14.792 -0.174 -4.623 1.00 10.00 C HETATM 989 O1A HEC A 130 -15.267 -0.538 -5.725 1.00 10.00 O HETATM 990 O2A HEC A 130 -14.826 1.021 -4.242 1.00 10.00 O HETATM 991 NB HEC A 130 -10.292 -2.613 2.542 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.596 -2.766 2.697 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.881 -3.454 3.934 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.663 -3.750 4.485 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.684 -3.189 3.575 1.00 10.00 C HETATM 996 CMB HEC A 130 -13.256 -3.840 4.451 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.397 -4.544 5.755 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.720 -6.035 5.584 1.00 10.00 C HETATM 999 NC HEC A 130 -7.845 -1.701 2.044 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.548 -2.447 3.099 1.00 10.00 C HETATM 1001 C2C HEC A 130 -6.174 -2.238 3.495 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.730 -1.207 2.718 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.794 -0.940 1.781 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.404 -2.949 4.597 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.450 -0.411 2.901 1.00 10.00 C HETATM 1006 CBC HEC A 130 -3.178 -1.201 2.601 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.660 -0.681 -0.312 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.482 -0.091 -0.235 1.00 10.00 C HETATM 1009 C2D HEC A 130 -7.078 0.408 -1.523 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.112 0.121 -2.364 1.00 10.00 C HETATM 1011 C4D HEC A 130 -9.111 -0.542 -1.554 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.678 0.837 -1.920 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.094 0.243 -3.871 1.00 10.00 C HETATM 1014 CBD HEC A 130 -7.835 -1.134 -4.507 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.126 -1.195 -6.011 1.00 10.00 C HETATM 1016 O1D HEC A 130 -7.207 -1.620 -6.750 1.00 10.00 O HETATM 1017 O2D HEC A 130 -9.265 -0.835 -6.385 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.353 1.656 -1.278 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.994 -0.005 -1.809 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.680 1.169 -2.958 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.898 -2.780 5.554 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.374 -4.018 4.388 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.387 -2.559 4.640 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.862 -2.943 4.578 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.739 -4.506 3.737 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -13.155 -4.348 5.410 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.290 -0.992 -0.368 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -15.167 -2.684 -0.904 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -15.005 -2.284 0.822 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -6.794 -1.410 -4.338 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -8.449 -1.878 -3.999 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -3.119 -2.062 3.267 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.198 -1.543 1.566 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.308 -0.562 2.755 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.772 -6.152 5.326 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -10.103 -6.452 4.788 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -10.514 -6.561 6.516 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -13.449 -1.854 -4.318 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -14.862 -1.883 -3.283 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.045 0.642 -4.223 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.320 0.946 -4.178 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -13.967 0.163 -2.111 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.511 0.027 -3.078 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.829 0.640 0.804 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.958 -3.940 4.517 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.604 -2.509 2.155 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.500 -0.905 -3.089 1.00 10.00 H new HETATM 0 H2D HEC A 130 -9.264 -0.704 -7.356 1.00 10.00 H new HETATM 0 H2A HEC A 130 -15.698 1.410 -4.462 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.426 -2.336 4.035 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.224 -4.807 5.366 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.427 -3.198 0.998 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.311 -0.134 2.734 1.00 10.00 C HETATM 1054 CHD HEC A 153 1.795 -1.130 7.074 1.00 10.00 C HETATM 1055 NA HEC A 153 3.608 -3.685 3.336 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.243 -4.640 4.039 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.056 -5.446 3.150 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.790 -4.991 1.891 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.900 -3.866 2.050 1.00 10.00 C HETATM 1060 CMA HEC A 153 5.286 -5.591 0.588 1.00 10.00 C HETATM 1061 CAA HEC A 153 6.161 -6.425 3.507 1.00 10.00 C HETATM 1062 CBA HEC A 153 7.554 -5.796 3.299 1.00 10.00 C HETATM 1063 CGA HEC A 153 8.748 -6.697 3.665 1.00 10.00 C HETATM 1064 O1A HEC A 153 8.507 -7.811 4.180 1.00 10.00 O HETATM 1065 O2A HEC A 153 9.892 -6.242 3.427 1.00 10.00 O HETATM 1066 NB HEC A 153 1.965 -1.781 2.251 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.496 -2.248 1.124 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.915 -1.582 -0.025 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.944 -0.752 0.472 1.00 10.00 C HETATM 1070 C4B HEC A 153 1.050 -0.876 1.914 1.00 10.00 C HETATM 1071 CMB HEC A 153 2.299 -1.778 -1.482 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.131 0.041 -0.293 1.00 10.00 C HETATM 1073 CBB HEC A 153 -0.193 -0.074 -1.820 1.00 10.00 C HETATM 1074 NC HEC A 153 1.273 -0.932 4.755 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.467 -0.146 4.055 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.220 0.789 4.924 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.233 0.516 6.188 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.180 -0.570 6.032 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.177 1.907 4.527 1.00 10.00 C HETATM 1080 CAC HEC A 153 -0.180 1.163 7.509 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.500 1.946 7.565 1.00 10.00 C HETATM 1082 ND HEC A 153 2.895 -2.866 5.831 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.539 -2.232 6.949 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.044 -2.935 8.105 1.00 10.00 C HETATM 1085 C3D HEC A 153 3.716 -4.018 7.616 1.00 10.00 C HETATM 1086 C4D HEC A 153 3.610 -3.937 6.178 1.00 10.00 C HETATM 1087 CMD HEC A 153 2.821 -2.589 9.569 1.00 10.00 C HETATM 1088 CAD HEC A 153 4.336 -5.136 8.429 1.00 10.00 C HETATM 1089 CBD HEC A 153 3.432 -6.383 8.419 1.00 10.00 C HETATM 1090 CGD HEC A 153 3.460 -7.232 9.698 1.00 10.00 C HETATM 1091 O1D HEC A 153 3.675 -6.688 10.809 1.00 10.00 O HETATM 1092 O2D HEC A 153 3.112 -8.435 9.635 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.213 -1.592 9.771 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 1.754 -2.611 9.789 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.336 -3.316 10.197 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.663 2.611 3.873 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -2.033 1.484 4.002 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.520 2.427 5.421 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 3.349 -1.520 -1.619 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 2.142 -2.819 -1.763 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.682 -1.136 -2.110 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 6.376 -5.579 0.574 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.933 -6.619 0.503 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.906 -5.006 -0.250 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 2.405 -6.064 8.238 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 3.723 -7.014 7.579 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.465 2.770 6.853 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -2.327 1.283 7.312 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.646 2.341 8.570 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 0.751 0.262 -2.249 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -0.369 -1.113 -2.100 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -1.005 0.547 -2.199 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 7.649 -5.503 2.253 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 7.614 -4.884 3.892 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 5.316 -5.388 8.023 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 4.493 -4.803 9.455 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 6.052 -6.737 4.546 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.069 -7.321 2.893 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.687 -0.674 8.058 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.455 0.512 2.305 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.811 -3.434 0.006 1.00 10.00 H new HETATM 0 HHA HEC A 153 4.722 -5.675 5.798 1.00 10.00 H new HETATM 0 H2D HEC A 153 3.786 -8.994 10.075 1.00 10.00 H new HETATM 0 H2A HEC A 153 10.568 -6.893 3.708 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.765 2.784 -7.360 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.407 2.271 -9.600 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.965 3.420 -9.746 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.953 3.806 -5.075 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.884 1.420 -5.016 1.00 10.00 C HETATM 1130 NA HEC A 166 6.708 2.821 -9.246 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.637 2.567 -9.999 1.00 10.00 C HETATM 1132 C2A HEC A 166 5.992 2.641 -11.399 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.327 2.904 -11.437 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.733 3.042 -10.062 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.171 3.110 -12.681 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.115 2.468 -12.619 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.179 1.080 -13.264 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.513 1.038 -14.652 1.00 10.00 C HETATM 1139 O1A HEC A 166 4.343 -0.090 -15.169 1.00 10.00 O HETATM 1140 O2A HEC A 166 4.243 2.144 -15.191 1.00 10.00 O HETATM 1141 NB HEC A 166 8.550 3.530 -7.405 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.291 3.692 -8.492 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.567 4.272 -8.158 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.598 4.339 -6.793 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.276 3.934 -6.362 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.649 4.702 -9.133 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.825 4.561 -5.913 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.150 6.045 -5.712 1.00 10.00 C HETATM 1149 NC HEC A 166 6.909 2.625 -5.463 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.885 3.099 -4.704 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.724 2.661 -3.341 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.607 1.869 -3.333 1.00 10.00 C HETATM 1153 C4C HEC A 166 6.065 1.950 -4.675 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.731 2.856 -2.223 1.00 10.00 C HETATM 1155 CAC HEC A 166 6.200 0.883 -2.246 1.00 10.00 C HETATM 1156 CBC HEC A 166 5.663 1.500 -0.949 1.00 10.00 C HETATM 1157 ND HEC A 166 4.959 2.073 -7.308 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.367 1.562 -6.243 1.00 10.00 C HETATM 1159 C2D HEC A 166 3.015 1.162 -6.570 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.824 1.467 -7.891 1.00 10.00 C HETATM 1161 C4D HEC A 166 4.105 1.994 -8.337 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.972 0.552 -5.646 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.493 1.234 -8.629 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.441 0.981 -10.153 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.404 2.233 -11.069 1.00 10.00 C HETATM 1166 O1D HEC A 166 1.452 3.368 -10.539 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.461 2.054 -12.303 1.00 10.00 O HETATM 0 HMD3 HEC A 166 2.348 -0.389 -5.244 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.765 1.240 -4.826 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 1.055 0.367 -6.205 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.667 2.364 -2.487 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.910 3.921 -2.076 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 8.341 2.423 -1.302 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 11.972 3.842 -9.720 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.254 5.469 -9.800 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.498 5.104 -8.580 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.129 2.215 -13.301 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 7.787 3.960 -13.245 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.204 3.303 -12.392 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.311 0.384 -10.428 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.559 0.377 -10.367 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 6.427 2.140 -0.507 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.775 2.093 -1.169 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 5.405 0.706 -0.248 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.345 6.509 -6.679 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.305 6.541 -5.236 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 13.032 6.142 -5.078 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.221 0.775 -13.356 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.692 0.357 -12.610 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 1.012 0.380 -8.151 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.867 2.104 -8.432 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.082 2.676 -12.339 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.400 3.212 -13.363 1.00 10.00 H new HETATM 0 HHD HEC A 166 4.325 0.854 -4.271 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.570 4.286 -4.316 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.718 3.508 -10.529 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.609 2.254 -10.342 1.00 10.00 H new HETATM 0 H2D HEC A 166 1.304 2.904 -12.764 1.00 10.00 H new HETATM 0 H2A HEC A 166 3.877 1.991 -16.087 1.00 10.00 H new