USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=14 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 95 TYR OH : rot -15:sc= 1.26 USER MOD Set 1.2: A 99 GLN : amide:sc= 0.928 K(o=2.2,f=-3.1) USER MOD Set 2.1: A 47 SER OG : rot 161:sc= 1.11 USER MOD Set 2.2: A 50 MET CE :methyl 153:sc= -0.115 (180deg=-1.5) USER MOD Set 2.3: A 76 THR OG1 : rot 180:sc= 0.593 USER MOD Set 2.4: A 101 HEC O2D : rot -20:sc= 0.659 USER MOD Set 3.1: A 46 TYR OH : rot 30:sc=0.000899 USER MOD Set 3.2: A 101 HEC O2A : rot 87:sc= 0 USER MOD Set 4.1: A 29 HIS : no HE2:sc= -0.014 X(o=-0.014,f=0.05) USER MOD Set 4.2: A 31 ASN : amide:sc= 0 X(o=-0.014,f=0.05) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0.00349 (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+ 155:sc= 0 (180deg=-0.324) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 37 THR OG1 : rot -75:sc= 0.0148 USER MOD Single : A 45 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.11) USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= 0.284 (180deg=0.17) USER MOD Single : A 53 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.37) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.02 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 67 THR OG1 : rot -107:sc= 0.914 USER MOD Single : A 68 ASN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (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= 0.74 K(o=0.74,f=-4.9!) USER MOD Single : A 100 GLN : amide:sc= 0.627 K(o=0.63,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.607 0.597 -1.659 1.00 0.00 N ATOM 2 CA MET A 1 2.699 0.309 -0.684 1.00 0.00 C ATOM 3 C MET A 1 3.746 -0.748 -1.153 1.00 0.00 C ATOM 4 O MET A 1 4.926 -0.570 -0.849 1.00 0.00 O ATOM 5 CB MET A 1 2.114 -0.036 0.713 1.00 0.00 C ATOM 6 CG MET A 1 1.472 1.142 1.472 1.00 0.00 C ATOM 7 SD MET A 1 0.932 0.583 3.099 1.00 0.00 S ATOM 8 CE MET A 1 0.336 2.143 3.774 1.00 0.00 C ATOM 0 H1 MET A 1 1.085 1.443 -1.355 1.00 0.00 H new ATOM 0 H2 MET A 1 2.017 0.762 -2.600 1.00 0.00 H new ATOM 0 H3 MET A 1 0.957 -0.214 -1.702 1.00 0.00 H new ATOM 0 HA MET A 1 3.271 1.234 -0.612 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.365 -0.818 0.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.911 -0.451 1.329 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.189 1.957 1.575 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.624 1.533 0.909 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.038 1.983 4.785 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.153 2.864 3.800 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.468 2.528 3.146 1.00 0.00 H new ATOM 19 N ALA A 2 3.350 -1.832 -1.847 1.00 0.00 N ATOM 20 CA ALA A 2 4.301 -2.803 -2.458 1.00 0.00 C ATOM 21 C ALA A 2 4.346 -2.681 -4.015 1.00 0.00 C ATOM 22 O ALA A 2 3.833 -3.534 -4.747 1.00 0.00 O ATOM 23 CB ALA A 2 3.879 -4.204 -1.972 1.00 0.00 C ATOM 0 H ALA A 2 2.370 -2.066 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 2 5.324 -2.596 -2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.549 -4.953 -2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.932 -4.243 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.858 -4.408 -2.293 1.00 0.00 H new ATOM 29 N ASP A 3 4.978 -1.611 -4.524 1.00 0.00 N ATOM 30 CA ASP A 3 5.012 -1.304 -5.979 1.00 0.00 C ATOM 31 C ASP A 3 6.455 -1.562 -6.541 1.00 0.00 C ATOM 32 O ASP A 3 7.332 -0.717 -6.327 1.00 0.00 O ATOM 33 CB ASP A 3 4.529 0.153 -6.229 1.00 0.00 C ATOM 34 CG ASP A 3 3.072 0.439 -5.865 1.00 0.00 C ATOM 35 OD1 ASP A 3 2.204 -0.032 -6.802 1.00 0.00 O ATOM 36 OD2 ASP A 3 2.723 1.023 -4.844 1.00 0.00 O ATOM 0 H ASP A 3 5.479 -0.933 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 3 4.329 -1.964 -6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.166 0.830 -5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 3 4.674 0.389 -7.283 1.00 0.00 H new ATOM 41 N PRO A 4 6.763 -2.670 -7.282 1.00 0.00 N ATOM 42 CA PRO A 4 8.138 -2.935 -7.811 1.00 0.00 C ATOM 43 C PRO A 4 8.681 -1.976 -8.927 1.00 0.00 C ATOM 44 O PRO A 4 9.882 -1.700 -8.967 1.00 0.00 O ATOM 45 CB PRO A 4 8.038 -4.414 -8.234 1.00 0.00 C ATOM 46 CG PRO A 4 6.560 -4.673 -8.531 1.00 0.00 C ATOM 47 CD PRO A 4 5.796 -3.744 -7.587 1.00 0.00 C ATOM 0 HA PRO A 4 8.898 -2.731 -7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.652 -4.610 -9.113 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.397 -5.071 -7.442 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.324 -4.458 -9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.299 -5.716 -8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.896 -3.349 -8.058 1.00 0.00 H new ATOM 0 HD3 PRO A 4 5.480 -4.265 -6.683 1.00 0.00 H new ATOM 55 N ALA A 5 7.794 -1.417 -9.770 1.00 0.00 N ATOM 56 CA ALA A 5 8.117 -0.261 -10.657 1.00 0.00 C ATOM 57 C ALA A 5 8.439 1.112 -9.965 1.00 0.00 C ATOM 58 O ALA A 5 9.147 1.933 -10.551 1.00 0.00 O ATOM 59 CB ALA A 5 6.944 -0.132 -11.646 1.00 0.00 C ATOM 0 H ALA A 5 6.833 -1.746 -9.863 1.00 0.00 H new ATOM 0 HA ALA A 5 9.068 -0.486 -11.140 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.128 0.703 -12.322 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.851 -1.052 -12.222 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.021 0.045 -11.094 1.00 0.00 H new ATOM 65 N ALA A 6 7.974 1.354 -8.726 1.00 0.00 N ATOM 66 CA ALA A 6 8.585 2.376 -7.829 1.00 0.00 C ATOM 67 C ALA A 6 9.890 1.923 -7.085 1.00 0.00 C ATOM 68 O ALA A 6 10.813 2.726 -6.934 1.00 0.00 O ATOM 69 CB ALA A 6 7.485 2.833 -6.857 1.00 0.00 C ATOM 0 H ALA A 6 7.180 0.862 -8.316 1.00 0.00 H new ATOM 0 HA ALA A 6 8.943 3.201 -8.444 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.888 3.584 -6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.656 3.261 -7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.130 1.978 -6.282 1.00 0.00 H new ATOM 75 N GLY A 7 10.005 0.652 -6.653 1.00 0.00 N ATOM 76 CA GLY A 7 11.242 0.108 -6.025 1.00 0.00 C ATOM 77 C GLY A 7 12.544 0.045 -6.853 1.00 0.00 C ATOM 78 O GLY A 7 13.623 0.058 -6.263 1.00 0.00 O ATOM 0 H GLY A 7 9.250 -0.030 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.448 0.704 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.020 -0.904 -5.686 1.00 0.00 H new ATOM 82 N GLU A 8 12.449 0.023 -8.191 1.00 0.00 N ATOM 83 CA GLU A 8 13.620 0.245 -9.096 1.00 0.00 C ATOM 84 C GLU A 8 14.324 1.637 -8.979 1.00 0.00 C ATOM 85 O GLU A 8 15.553 1.715 -8.935 1.00 0.00 O ATOM 86 CB GLU A 8 13.225 -0.136 -10.552 1.00 0.00 C ATOM 87 CG GLU A 8 12.188 0.717 -11.330 1.00 0.00 C ATOM 88 CD GLU A 8 12.725 1.946 -12.067 1.00 0.00 C ATOM 89 OE1 GLU A 8 13.728 1.942 -12.774 1.00 0.00 O ATOM 90 OE2 GLU A 8 11.951 3.047 -11.869 1.00 0.00 O ATOM 0 H GLU A 8 11.574 -0.146 -8.686 1.00 0.00 H new ATOM 0 HA GLU A 8 14.409 -0.423 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.141 -0.148 -11.142 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.848 -1.159 -10.527 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.694 0.073 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.424 1.048 -10.627 1.00 0.00 H new ATOM 97 N LYS A 9 13.532 2.714 -8.886 1.00 0.00 N ATOM 98 CA LYS A 9 14.031 4.084 -8.570 1.00 0.00 C ATOM 99 C LYS A 9 14.390 4.345 -7.066 1.00 0.00 C ATOM 100 O LYS A 9 15.350 5.080 -6.817 1.00 0.00 O ATOM 101 CB LYS A 9 13.116 5.160 -9.218 1.00 0.00 C ATOM 102 CG LYS A 9 11.594 5.036 -8.980 1.00 0.00 C ATOM 103 CD LYS A 9 10.794 6.226 -9.541 1.00 0.00 C ATOM 104 CE LYS A 9 9.281 6.039 -9.351 1.00 0.00 C ATOM 105 NZ LYS A 9 8.551 7.212 -9.866 1.00 0.00 N ATOM 0 H LYS A 9 12.523 2.673 -9.026 1.00 0.00 H new ATOM 0 HA LYS A 9 15.012 4.168 -9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.435 6.137 -8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.291 5.147 -10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.235 4.116 -9.440 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.406 4.952 -7.910 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.112 7.143 -9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.015 6.344 -10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.951 5.140 -9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.055 5.897 -8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.529 7.072 -9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.855 8.063 -9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.753 7.329 -10.879 1.00 0.00 H new ATOM 118 N VAL A 10 13.733 3.704 -6.072 1.00 0.00 N ATOM 119 CA VAL A 10 14.276 3.623 -4.669 1.00 0.00 C ATOM 120 C VAL A 10 15.634 2.816 -4.582 1.00 0.00 C ATOM 121 O VAL A 10 16.583 3.302 -3.959 1.00 0.00 O ATOM 122 CB VAL A 10 13.225 3.146 -3.601 1.00 0.00 C ATOM 123 CG1 VAL A 10 13.687 3.464 -2.157 1.00 0.00 C ATOM 124 CG2 VAL A 10 11.806 3.754 -3.713 1.00 0.00 C ATOM 0 H VAL A 10 12.836 3.236 -6.199 1.00 0.00 H new ATOM 0 HA VAL A 10 14.507 4.654 -4.402 1.00 0.00 H new ATOM 0 HB VAL A 10 13.166 2.079 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.933 3.119 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.631 2.958 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 10 13.822 4.540 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.173 3.349 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.865 4.838 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.379 3.504 -4.684 1.00 0.00 H new ATOM 134 N PHE A 11 15.774 1.647 -5.253 1.00 0.00 N ATOM 135 CA PHE A 11 17.103 1.013 -5.528 1.00 0.00 C ATOM 136 C PHE A 11 18.159 1.869 -6.317 1.00 0.00 C ATOM 137 O PHE A 11 19.355 1.620 -6.155 1.00 0.00 O ATOM 138 CB PHE A 11 16.863 -0.377 -6.186 1.00 0.00 C ATOM 139 CG PHE A 11 18.107 -1.286 -6.304 1.00 0.00 C ATOM 140 CD1 PHE A 11 18.680 -1.834 -5.152 1.00 0.00 C ATOM 141 CD2 PHE A 11 18.702 -1.535 -7.547 1.00 0.00 C ATOM 142 CE1 PHE A 11 19.837 -2.604 -5.237 1.00 0.00 C ATOM 143 CE2 PHE A 11 19.843 -2.334 -7.632 1.00 0.00 C ATOM 144 CZ PHE A 11 20.415 -2.860 -6.475 1.00 0.00 C ATOM 0 H PHE A 11 14.984 1.116 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 11 17.587 0.915 -4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 11 16.103 -0.905 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 11 16.454 -0.220 -7.184 1.00 0.00 H new ATOM 0 HD1 PHE A 11 18.222 -1.659 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 11 18.276 -1.107 -8.443 1.00 0.00 H new ATOM 0 HE1 PHE A 11 20.286 -3.003 -4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 11 20.283 -2.545 -8.595 1.00 0.00 H new ATOM 0 HZ PHE A 11 21.307 -3.466 -6.540 1.00 0.00 H new ATOM 154 N GLY A 12 17.772 2.901 -7.089 1.00 0.00 N ATOM 155 CA GLY A 12 18.723 3.935 -7.590 1.00 0.00 C ATOM 156 C GLY A 12 19.639 4.671 -6.569 1.00 0.00 C ATOM 157 O GLY A 12 20.797 4.955 -6.875 1.00 0.00 O ATOM 0 H GLY A 12 16.807 3.049 -7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.368 3.459 -8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 12 18.141 4.692 -8.116 1.00 0.00 H new ATOM 161 N LYS A 13 19.133 4.922 -5.352 1.00 0.00 N ATOM 162 CA LYS A 13 19.971 5.321 -4.177 1.00 0.00 C ATOM 163 C LYS A 13 20.933 4.206 -3.624 1.00 0.00 C ATOM 164 O LYS A 13 22.061 4.509 -3.225 1.00 0.00 O ATOM 165 CB LYS A 13 19.030 5.840 -3.053 1.00 0.00 C ATOM 166 CG LYS A 13 18.250 7.140 -3.367 1.00 0.00 C ATOM 167 CD LYS A 13 17.274 7.584 -2.258 1.00 0.00 C ATOM 168 CE LYS A 13 15.999 6.727 -2.165 1.00 0.00 C ATOM 169 NZ LYS A 13 15.095 7.284 -1.141 1.00 0.00 N ATOM 0 H LYS A 13 18.137 4.859 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 13 20.645 6.102 -4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 13 18.310 5.056 -2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 13 19.626 6.005 -2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 13 18.965 7.943 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.690 6.998 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 13 17.791 7.552 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.990 8.622 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.496 6.701 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.259 5.699 -1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.236 6.701 -1.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.575 7.286 -0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.836 8.258 -1.399 1.00 0.00 H new ATOM 182 N CYS A 14 20.501 2.932 -3.604 1.00 0.00 N ATOM 183 CA CYS A 14 21.376 1.768 -3.306 1.00 0.00 C ATOM 184 C CYS A 14 22.473 1.421 -4.373 1.00 0.00 C ATOM 185 O CYS A 14 23.574 1.005 -3.998 1.00 0.00 O ATOM 186 CB CYS A 14 20.446 0.547 -3.123 1.00 0.00 C ATOM 187 SG CYS A 14 18.918 0.890 -2.208 1.00 0.00 S ATOM 0 H CYS A 14 19.533 2.673 -3.794 1.00 0.00 H new ATOM 0 HA CYS A 14 21.949 2.034 -2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 14 20.185 0.156 -4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 14 20.996 -0.237 -2.604 1.00 0.00 H new ATOM 192 N LYS A 15 22.170 1.535 -5.686 1.00 0.00 N ATOM 193 CA LYS A 15 23.017 0.954 -6.774 1.00 0.00 C ATOM 194 C LYS A 15 24.389 1.617 -7.130 1.00 0.00 C ATOM 195 O LYS A 15 25.175 1.020 -7.870 1.00 0.00 O ATOM 196 CB LYS A 15 22.130 0.657 -8.012 1.00 0.00 C ATOM 197 CG LYS A 15 21.790 1.851 -8.936 1.00 0.00 C ATOM 198 CD LYS A 15 20.697 1.570 -9.994 1.00 0.00 C ATOM 199 CE LYS A 15 21.105 0.701 -11.200 1.00 0.00 C ATOM 200 NZ LYS A 15 21.057 -0.742 -10.898 1.00 0.00 N ATOM 0 H LYS A 15 21.343 2.025 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 15 23.403 0.035 -6.333 1.00 0.00 H new ATOM 0 HB2 LYS A 15 22.629 -0.104 -8.612 1.00 0.00 H new ATOM 0 HB3 LYS A 15 21.194 0.223 -7.661 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.469 2.689 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.699 2.164 -9.449 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.857 1.086 -9.495 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.335 2.527 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.443 0.916 -12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.114 0.970 -11.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.917 -1.277 -11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.951 -1.034 -10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.269 -0.935 -10.248 1.00 0.00 H new ATOM 213 N ALA A 16 24.729 2.780 -6.547 1.00 0.00 N ATOM 214 CA ALA A 16 26.151 3.199 -6.386 1.00 0.00 C ATOM 215 C ALA A 16 27.054 2.241 -5.528 1.00 0.00 C ATOM 216 O ALA A 16 28.240 2.093 -5.831 1.00 0.00 O ATOM 217 CB ALA A 16 26.122 4.631 -5.819 1.00 0.00 C ATOM 0 H ALA A 16 24.052 3.448 -6.179 1.00 0.00 H new ATOM 0 HA ALA A 16 26.633 3.152 -7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 16 27.142 4.988 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 16 25.599 5.287 -6.514 1.00 0.00 H new ATOM 0 HB3 ALA A 16 25.604 4.632 -4.860 1.00 0.00 H new ATOM 223 N CYS A 17 26.494 1.582 -4.494 1.00 0.00 N ATOM 224 CA CYS A 17 27.161 0.470 -3.776 1.00 0.00 C ATOM 225 C CYS A 17 26.778 -0.975 -4.263 1.00 0.00 C ATOM 226 O CYS A 17 27.687 -1.795 -4.412 1.00 0.00 O ATOM 227 CB CYS A 17 26.864 0.665 -2.276 1.00 0.00 C ATOM 228 SG CYS A 17 27.333 2.318 -1.671 1.00 0.00 S ATOM 0 H CYS A 17 25.567 1.803 -4.131 1.00 0.00 H new ATOM 0 HA CYS A 17 28.228 0.521 -3.991 1.00 0.00 H new ATOM 0 HB2 CYS A 17 25.800 0.506 -2.098 1.00 0.00 H new ATOM 0 HB3 CYS A 17 27.400 -0.092 -1.703 1.00 0.00 H new ATOM 233 N HIS A 18 25.480 -1.311 -4.446 1.00 0.00 N ATOM 234 CA HIS A 18 25.012 -2.714 -4.691 1.00 0.00 C ATOM 235 C HIS A 18 24.645 -3.006 -6.185 1.00 0.00 C ATOM 236 O HIS A 18 23.916 -2.240 -6.819 1.00 0.00 O ATOM 237 CB HIS A 18 23.762 -2.994 -3.815 1.00 0.00 C ATOM 238 CG HIS A 18 24.003 -3.169 -2.320 1.00 0.00 C ATOM 239 ND1 HIS A 18 24.364 -4.360 -1.746 1.00 0.00 N ATOM 240 CD2 HIS A 18 23.711 -2.237 -1.323 1.00 0.00 C ATOM 241 CE1 HIS A 18 24.228 -4.066 -0.426 1.00 0.00 C ATOM 242 NE2 HIS A 18 23.764 -2.813 -0.039 1.00 0.00 N ATOM 0 H HIS A 18 24.723 -0.628 -4.430 1.00 0.00 H new ATOM 0 HA HIS A 18 25.846 -3.366 -4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 18 23.058 -2.173 -3.953 1.00 0.00 H new ATOM 0 HB3 HIS A 18 23.278 -3.896 -4.190 1.00 0.00 H new ATOM 0 HD1 HIS A 18 24.656 -5.231 -2.189 1.00 0.00 H new ATOM 0 HD2 HIS A 18 23.473 -1.201 -1.513 1.00 0.00 H new ATOM 0 HE1 HIS A 18 24.480 -4.804 0.321 1.00 0.00 H new ATOM 250 N LYS A 19 25.074 -4.157 -6.736 1.00 0.00 N ATOM 251 CA LYS A 19 24.912 -4.447 -8.200 1.00 0.00 C ATOM 252 C LYS A 19 23.723 -5.379 -8.610 1.00 0.00 C ATOM 253 O LYS A 19 23.119 -5.127 -9.654 1.00 0.00 O ATOM 254 CB LYS A 19 26.258 -4.958 -8.787 1.00 0.00 C ATOM 255 CG LYS A 19 27.433 -3.948 -8.732 1.00 0.00 C ATOM 256 CD LYS A 19 28.742 -4.538 -9.282 1.00 0.00 C ATOM 257 CE LYS A 19 29.911 -3.546 -9.227 1.00 0.00 C ATOM 258 NZ LYS A 19 31.143 -4.196 -9.718 1.00 0.00 N ATOM 0 H LYS A 19 25.531 -4.901 -6.210 1.00 0.00 H new ATOM 0 HA LYS A 19 24.632 -3.490 -8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 19 26.551 -5.860 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 19 26.096 -5.245 -9.826 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.170 -3.058 -9.304 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.587 -3.630 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 19 29.001 -5.430 -8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.588 -4.854 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.685 -2.669 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 19 30.056 -3.197 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 31.932 -3.519 -9.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 31.363 -5.019 -9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 31.003 -4.508 -10.700 1.00 0.00 H new ATOM 271 N LEU A 20 23.455 -6.485 -7.880 1.00 0.00 N ATOM 272 CA LEU A 20 22.550 -7.610 -8.314 1.00 0.00 C ATOM 273 C LEU A 20 23.247 -8.683 -9.203 1.00 0.00 C ATOM 274 O LEU A 20 23.072 -9.884 -8.974 1.00 0.00 O ATOM 275 CB LEU A 20 21.150 -7.237 -8.904 1.00 0.00 C ATOM 276 CG LEU A 20 20.230 -6.348 -8.033 1.00 0.00 C ATOM 277 CD1 LEU A 20 19.099 -5.744 -8.881 1.00 0.00 C ATOM 278 CD2 LEU A 20 19.605 -7.131 -6.869 1.00 0.00 C ATOM 0 H LEU A 20 23.860 -6.638 -6.956 1.00 0.00 H new ATOM 0 HA LEU A 20 22.325 -8.046 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 20 21.309 -6.729 -9.855 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.618 -8.163 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 20 20.858 -5.556 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.463 -5.122 -8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.527 -5.135 -9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.504 -6.546 -9.318 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.967 -6.467 -6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.008 -7.954 -7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.395 -7.528 -6.232 1.00 0.00 H new ATOM 290 N ASP A 21 24.025 -8.263 -10.213 1.00 0.00 N ATOM 291 CA ASP A 21 24.481 -9.161 -11.317 1.00 0.00 C ATOM 292 C ASP A 21 25.761 -9.997 -10.967 1.00 0.00 C ATOM 293 O ASP A 21 26.782 -9.897 -11.660 1.00 0.00 O ATOM 294 CB ASP A 21 24.622 -8.249 -12.570 1.00 0.00 C ATOM 295 CG ASP A 21 24.739 -8.957 -13.923 1.00 0.00 C ATOM 296 OD1 ASP A 21 25.897 -9.674 -14.040 1.00 0.00 O ATOM 297 OD2 ASP A 21 23.889 -8.868 -14.803 1.00 0.00 O ATOM 0 H ASP A 21 24.360 -7.303 -10.299 1.00 0.00 H new ATOM 0 HA ASP A 21 23.754 -9.951 -11.506 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.759 -7.584 -12.607 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.503 -7.621 -12.437 1.00 0.00 H new ATOM 302 N GLY A 22 25.708 -10.819 -9.903 1.00 0.00 N ATOM 303 CA GLY A 22 26.877 -11.637 -9.450 1.00 0.00 C ATOM 304 C GLY A 22 28.196 -10.957 -8.985 1.00 0.00 C ATOM 305 O GLY A 22 29.185 -11.660 -8.776 1.00 0.00 O ATOM 0 H GLY A 22 24.872 -10.943 -9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.531 -12.260 -8.625 1.00 0.00 H new ATOM 0 HA3 GLY A 22 27.135 -12.307 -10.270 1.00 0.00 H new ATOM 309 N ASN A 23 28.217 -9.626 -8.828 1.00 0.00 N ATOM 310 CA ASN A 23 29.419 -8.846 -8.422 1.00 0.00 C ATOM 311 C ASN A 23 29.057 -7.870 -7.251 1.00 0.00 C ATOM 312 O ASN A 23 27.889 -7.603 -6.943 1.00 0.00 O ATOM 313 CB ASN A 23 29.995 -8.074 -9.645 1.00 0.00 C ATOM 314 CG ASN A 23 30.531 -8.893 -10.823 1.00 0.00 C ATOM 315 OD1 ASN A 23 31.710 -9.216 -10.902 1.00 0.00 O ATOM 316 ND2 ASN A 23 29.708 -9.229 -11.787 1.00 0.00 N ATOM 0 H ASN A 23 27.394 -9.043 -8.979 1.00 0.00 H new ATOM 0 HA ASN A 23 30.188 -9.531 -8.064 1.00 0.00 H new ATOM 0 HB2 ASN A 23 29.213 -7.416 -10.024 1.00 0.00 H new ATOM 0 HB3 ASN A 23 30.803 -7.435 -9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 23 30.052 -9.754 -12.591 1.00 0.00 H new ATOM 0 HD22 ASN A 23 28.724 -8.966 -11.732 1.00 0.00 H new ATOM 323 N ASP A 24 30.090 -7.330 -6.590 1.00 0.00 N ATOM 324 CA ASP A 24 29.923 -6.587 -5.304 1.00 0.00 C ATOM 325 C ASP A 24 30.266 -5.073 -5.479 1.00 0.00 C ATOM 326 O ASP A 24 29.358 -4.260 -5.667 1.00 0.00 O ATOM 327 CB ASP A 24 30.661 -7.345 -4.152 1.00 0.00 C ATOM 328 CG ASP A 24 30.306 -8.822 -3.888 1.00 0.00 C ATOM 329 OD1 ASP A 24 29.029 -9.143 -4.245 1.00 0.00 O ATOM 330 OD2 ASP A 24 31.096 -9.629 -3.409 1.00 0.00 O ATOM 0 H ASP A 24 31.056 -7.386 -6.913 1.00 0.00 H new ATOM 0 HA ASP A 24 28.877 -6.571 -4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.731 -7.294 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 24 30.486 -6.793 -3.228 1.00 0.00 H new ATOM 335 N GLY A 25 31.554 -4.687 -5.431 1.00 0.00 N ATOM 336 CA GLY A 25 31.975 -3.261 -5.518 1.00 0.00 C ATOM 337 C GLY A 25 32.189 -2.623 -4.134 1.00 0.00 C ATOM 338 O GLY A 25 33.256 -2.786 -3.540 1.00 0.00 O ATOM 0 H GLY A 25 32.331 -5.340 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 25 32.899 -3.193 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 25 31.219 -2.695 -6.062 1.00 0.00 H new ATOM 342 N VAL A 26 31.160 -1.934 -3.618 1.00 0.00 N ATOM 343 CA VAL A 26 31.097 -1.548 -2.169 1.00 0.00 C ATOM 344 C VAL A 26 30.123 -2.521 -1.427 1.00 0.00 C ATOM 345 O VAL A 26 30.558 -3.227 -0.516 1.00 0.00 O ATOM 346 CB VAL A 26 30.779 -0.027 -1.935 1.00 0.00 C ATOM 347 CG1 VAL A 26 30.762 0.372 -0.438 1.00 0.00 C ATOM 348 CG2 VAL A 26 31.754 0.940 -2.639 1.00 0.00 C ATOM 0 H VAL A 26 30.356 -1.626 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 26 32.091 -1.660 -1.735 1.00 0.00 H new ATOM 0 HB VAL A 26 29.785 0.074 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.537 1.435 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 26 30.000 -0.207 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.738 0.169 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 26 31.463 1.969 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 26 32.766 0.766 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.722 0.769 -3.715 1.00 0.00 H new ATOM 358 N GLY A 27 28.826 -2.550 -1.792 1.00 0.00 N ATOM 359 CA GLY A 27 27.849 -3.486 -1.197 1.00 0.00 C ATOM 360 C GLY A 27 27.697 -4.827 -1.967 1.00 0.00 C ATOM 361 O GLY A 27 27.687 -4.807 -3.202 1.00 0.00 O ATOM 0 H GLY A 27 28.428 -1.933 -2.500 1.00 0.00 H new ATOM 0 HA2 GLY A 27 28.148 -3.701 -0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 27 26.877 -2.996 -1.149 1.00 0.00 H new ATOM 365 N PRO A 28 27.521 -6.007 -1.312 1.00 0.00 N ATOM 366 CA PRO A 28 27.385 -7.302 -2.025 1.00 0.00 C ATOM 367 C PRO A 28 26.054 -7.511 -2.808 1.00 0.00 C ATOM 368 O PRO A 28 25.004 -6.979 -2.440 1.00 0.00 O ATOM 369 CB PRO A 28 27.574 -8.308 -0.876 1.00 0.00 C ATOM 370 CG PRO A 28 27.087 -7.589 0.381 1.00 0.00 C ATOM 371 CD PRO A 28 27.482 -6.136 0.153 1.00 0.00 C ATOM 0 HA PRO A 28 28.104 -7.397 -2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 28 27.002 -9.219 -1.054 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.619 -8.602 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 28 26.010 -7.694 0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.555 -7.993 1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.759 -5.451 0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 28 28.450 -5.910 0.600 1.00 0.00 H new ATOM 379 N HIS A 29 26.100 -8.322 -3.877 1.00 0.00 N ATOM 380 CA HIS A 29 24.919 -8.608 -4.741 1.00 0.00 C ATOM 381 C HIS A 29 23.613 -9.063 -3.994 1.00 0.00 C ATOM 382 O HIS A 29 23.595 -10.057 -3.258 1.00 0.00 O ATOM 383 CB HIS A 29 25.313 -9.580 -5.890 1.00 0.00 C ATOM 384 CG HIS A 29 25.982 -10.918 -5.543 1.00 0.00 C ATOM 385 ND1 HIS A 29 27.339 -11.161 -5.705 1.00 0.00 N ATOM 386 CD2 HIS A 29 25.316 -12.094 -5.176 1.00 0.00 C ATOM 387 CE1 HIS A 29 27.355 -12.511 -5.465 1.00 0.00 C ATOM 388 NE2 HIS A 29 26.199 -13.156 -5.122 1.00 0.00 N ATOM 0 H HIS A 29 26.949 -8.802 -4.175 1.00 0.00 H new ATOM 0 HA HIS A 29 24.633 -7.644 -5.163 1.00 0.00 H new ATOM 0 HB2 HIS A 29 24.409 -9.803 -6.456 1.00 0.00 H new ATOM 0 HB3 HIS A 29 25.984 -9.042 -6.560 1.00 0.00 H new ATOM 0 HD1 HIS A 29 28.101 -10.523 -5.935 1.00 0.00 H new ATOM 0 HD2 HIS A 29 24.259 -12.162 -4.965 1.00 0.00 H new ATOM 0 HE1 HIS A 29 28.279 -13.064 -5.547 1.00 0.00 H new ATOM 396 N LEU A 30 22.518 -8.307 -4.181 1.00 0.00 N ATOM 397 CA LEU A 30 21.230 -8.534 -3.453 1.00 0.00 C ATOM 398 C LEU A 30 20.204 -9.482 -4.169 1.00 0.00 C ATOM 399 O LEU A 30 19.012 -9.464 -3.848 1.00 0.00 O ATOM 400 CB LEU A 30 20.621 -7.140 -3.114 1.00 0.00 C ATOM 401 CG LEU A 30 21.396 -6.206 -2.149 1.00 0.00 C ATOM 402 CD1 LEU A 30 20.560 -4.948 -1.862 1.00 0.00 C ATOM 403 CD2 LEU A 30 21.797 -6.852 -0.810 1.00 0.00 C ATOM 0 H LEU A 30 22.487 -7.523 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 30 21.461 -9.089 -2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 30 20.480 -6.603 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.631 -7.306 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 30 22.326 -5.964 -2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 30 21.108 -4.294 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 30 20.364 -4.420 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 30 19.614 -5.236 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 30 22.334 -6.124 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 30 20.902 -7.178 -0.281 1.00 0.00 H new ATOM 0 HD23 LEU A 30 22.440 -7.712 -0.999 1.00 0.00 H new ATOM 415 N ASN A 31 20.679 -10.348 -5.084 1.00 0.00 N ATOM 416 CA ASN A 31 19.834 -11.289 -5.871 1.00 0.00 C ATOM 417 C ASN A 31 19.043 -12.327 -5.004 1.00 0.00 C ATOM 418 O ASN A 31 19.592 -13.302 -4.480 1.00 0.00 O ATOM 419 CB ASN A 31 20.683 -11.912 -7.016 1.00 0.00 C ATOM 420 CG ASN A 31 21.935 -12.741 -6.694 1.00 0.00 C ATOM 421 OD1 ASN A 31 22.189 -13.195 -5.583 1.00 0.00 O ATOM 422 ND2 ASN A 31 22.776 -12.959 -7.675 1.00 0.00 N ATOM 0 H ASN A 31 21.672 -10.421 -5.306 1.00 0.00 H new ATOM 0 HA ASN A 31 19.027 -10.717 -6.329 1.00 0.00 H new ATOM 0 HB2 ASN A 31 20.018 -12.547 -7.601 1.00 0.00 H new ATOM 0 HB3 ASN A 31 20.996 -11.095 -7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 31 23.625 -13.499 -7.508 1.00 0.00 H new ATOM 0 HD22 ASN A 31 22.581 -12.589 -8.605 1.00 0.00 H new ATOM 429 N GLY A 32 17.751 -12.038 -4.780 1.00 0.00 N ATOM 430 CA GLY A 32 16.921 -12.790 -3.802 1.00 0.00 C ATOM 431 C GLY A 32 17.245 -12.611 -2.304 1.00 0.00 C ATOM 432 O GLY A 32 17.137 -13.579 -1.553 1.00 0.00 O ATOM 0 H GLY A 32 17.251 -11.290 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.880 -12.507 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 32 17.001 -13.851 -4.039 1.00 0.00 H new ATOM 436 N VAL A 33 17.596 -11.392 -1.855 1.00 0.00 N ATOM 437 CA VAL A 33 17.880 -11.112 -0.407 1.00 0.00 C ATOM 438 C VAL A 33 16.660 -11.225 0.583 1.00 0.00 C ATOM 439 O VAL A 33 16.861 -11.555 1.755 1.00 0.00 O ATOM 440 CB VAL A 33 18.734 -9.807 -0.247 1.00 0.00 C ATOM 441 CG1 VAL A 33 17.959 -8.494 -0.484 1.00 0.00 C ATOM 442 CG2 VAL A 33 19.448 -9.722 1.123 1.00 0.00 C ATOM 0 H VAL A 33 17.694 -10.577 -2.461 1.00 0.00 H new ATOM 0 HA VAL A 33 18.490 -11.949 -0.067 1.00 0.00 H new ATOM 0 HB VAL A 33 19.473 -9.900 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.631 -7.646 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.559 -8.485 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.139 -8.422 0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.024 -8.798 1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.706 -9.734 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 33 20.118 -10.574 1.238 1.00 0.00 H new ATOM 452 N VAL A 34 15.416 -10.993 0.121 1.00 0.00 N ATOM 453 CA VAL A 34 14.173 -11.186 0.929 1.00 0.00 C ATOM 454 C VAL A 34 13.936 -12.722 1.166 1.00 0.00 C ATOM 455 O VAL A 34 13.561 -13.455 0.245 1.00 0.00 O ATOM 456 CB VAL A 34 12.953 -10.477 0.237 1.00 0.00 C ATOM 457 CG1 VAL A 34 11.669 -10.550 1.095 1.00 0.00 C ATOM 458 CG2 VAL A 34 13.163 -8.983 -0.112 1.00 0.00 C ATOM 0 H VAL A 34 15.233 -10.664 -0.827 1.00 0.00 H new ATOM 0 HA VAL A 34 14.286 -10.718 1.907 1.00 0.00 H new ATOM 0 HB VAL A 34 12.855 -11.039 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.854 -10.046 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.402 -11.593 1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.844 -10.062 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.263 -8.590 -0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.369 -8.422 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.005 -8.884 -0.797 1.00 0.00 H new ATOM 468 N GLY A 35 14.211 -13.201 2.390 1.00 0.00 N ATOM 469 CA GLY A 35 14.356 -14.662 2.669 1.00 0.00 C ATOM 470 C GLY A 35 15.764 -15.319 2.591 1.00 0.00 C ATOM 471 O GLY A 35 15.842 -16.544 2.694 1.00 0.00 O ATOM 0 H GLY A 35 14.340 -12.608 3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.965 -14.844 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.708 -15.194 1.972 1.00 0.00 H new ATOM 475 N ARG A 36 16.859 -14.553 2.444 1.00 0.00 N ATOM 476 CA ARG A 36 18.257 -15.082 2.446 1.00 0.00 C ATOM 477 C ARG A 36 18.967 -14.756 3.798 1.00 0.00 C ATOM 478 O ARG A 36 18.650 -13.745 4.436 1.00 0.00 O ATOM 479 CB ARG A 36 18.965 -14.407 1.239 1.00 0.00 C ATOM 480 CG ARG A 36 20.307 -15.018 0.767 1.00 0.00 C ATOM 481 CD ARG A 36 20.855 -14.395 -0.538 1.00 0.00 C ATOM 482 NE ARG A 36 21.420 -13.039 -0.306 1.00 0.00 N ATOM 483 CZ ARG A 36 21.916 -12.245 -1.255 1.00 0.00 C ATOM 484 NH1 ARG A 36 21.803 -12.471 -2.540 1.00 0.00 N ATOM 485 NH2 ARG A 36 22.555 -11.176 -0.891 1.00 0.00 N ATOM 0 H ARG A 36 16.811 -13.542 2.319 1.00 0.00 H new ATOM 0 HA ARG A 36 18.284 -16.167 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 36 18.275 -14.417 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 36 19.142 -13.362 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 36 21.049 -14.895 1.556 1.00 0.00 H new ATOM 0 HG3 ARG A 36 20.175 -16.090 0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.625 -15.044 -0.955 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.055 -14.334 -1.276 1.00 0.00 H new ATOM 0 HE ARG A 36 21.429 -12.690 0.652 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.309 -13.300 -2.871 1.00 0.00 H new ATOM 0 HH12 ARG A 36 22.209 -11.818 -3.210 1.00 0.00 H new ATOM 0 HH21 ARG A 36 22.667 -10.961 0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 36 22.945 -10.550 -1.596 1.00 0.00 H new ATOM 499 N THR A 37 19.962 -15.564 4.229 1.00 0.00 N ATOM 500 CA THR A 37 20.708 -15.303 5.503 1.00 0.00 C ATOM 501 C THR A 37 21.344 -13.877 5.613 1.00 0.00 C ATOM 502 O THR A 37 21.785 -13.271 4.627 1.00 0.00 O ATOM 503 CB THR A 37 21.741 -16.423 5.844 1.00 0.00 C ATOM 504 OG1 THR A 37 22.120 -16.337 7.212 1.00 0.00 O ATOM 505 CG2 THR A 37 23.060 -16.337 5.075 1.00 0.00 C ATOM 0 H THR A 37 20.272 -16.396 3.727 1.00 0.00 H new ATOM 0 HA THR A 37 19.931 -15.330 6.267 1.00 0.00 H new ATOM 0 HB THR A 37 21.224 -17.345 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 37 22.730 -15.580 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 37 23.712 -17.156 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.863 -16.408 4.005 1.00 0.00 H new ATOM 0 HG23 THR A 37 23.546 -15.386 5.292 1.00 0.00 H new ATOM 513 N VAL A 38 21.475 -13.407 6.855 1.00 0.00 N ATOM 514 CA VAL A 38 22.327 -12.238 7.186 1.00 0.00 C ATOM 515 C VAL A 38 23.833 -12.682 7.177 1.00 0.00 C ATOM 516 O VAL A 38 24.184 -13.772 7.646 1.00 0.00 O ATOM 517 CB VAL A 38 21.835 -11.585 8.520 1.00 0.00 C ATOM 518 CG1 VAL A 38 22.590 -10.272 8.835 1.00 0.00 C ATOM 519 CG2 VAL A 38 20.310 -11.321 8.581 1.00 0.00 C ATOM 0 H VAL A 38 21.002 -13.815 7.662 1.00 0.00 H new ATOM 0 HA VAL A 38 22.242 -11.452 6.435 1.00 0.00 H new ATOM 0 HB VAL A 38 22.062 -12.334 9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 38 22.217 -9.853 9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 38 23.656 -10.479 8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 38 22.430 -9.558 8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 38 20.057 -10.868 9.539 1.00 0.00 H new ATOM 0 HG22 VAL A 38 20.025 -10.646 7.774 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.773 -12.263 8.473 1.00 0.00 H new ATOM 529 N ALA A 39 24.684 -11.868 6.521 1.00 0.00 N ATOM 530 CA ALA A 39 25.981 -12.324 5.932 1.00 0.00 C ATOM 531 C ALA A 39 25.901 -13.299 4.696 1.00 0.00 C ATOM 532 O ALA A 39 26.823 -14.084 4.451 1.00 0.00 O ATOM 533 CB ALA A 39 26.995 -12.743 7.024 1.00 0.00 C ATOM 0 H ALA A 39 24.501 -10.875 6.379 1.00 0.00 H new ATOM 0 HA ALA A 39 26.382 -11.432 5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 39 27.923 -13.067 6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 39 27.197 -11.895 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 39 26.580 -13.563 7.611 1.00 0.00 H new ATOM 539 N GLY A 40 24.846 -13.211 3.858 1.00 0.00 N ATOM 540 CA GLY A 40 24.597 -14.206 2.778 1.00 0.00 C ATOM 541 C GLY A 40 25.133 -13.903 1.367 1.00 0.00 C ATOM 542 O GLY A 40 24.360 -13.911 0.410 1.00 0.00 O ATOM 0 H GLY A 40 24.151 -12.465 3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.023 -15.157 3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 40 23.519 -14.349 2.700 1.00 0.00 H new ATOM 546 N VAL A 41 26.454 -13.713 1.236 1.00 0.00 N ATOM 547 CA VAL A 41 27.170 -13.793 -0.077 1.00 0.00 C ATOM 548 C VAL A 41 28.542 -14.486 0.215 1.00 0.00 C ATOM 549 O VAL A 41 29.438 -13.882 0.816 1.00 0.00 O ATOM 550 CB VAL A 41 27.297 -12.410 -0.822 1.00 0.00 C ATOM 551 CG1 VAL A 41 28.263 -12.422 -2.029 1.00 0.00 C ATOM 552 CG2 VAL A 41 25.933 -11.904 -1.353 1.00 0.00 C ATOM 0 H VAL A 41 27.067 -13.500 2.023 1.00 0.00 H new ATOM 0 HA VAL A 41 26.592 -14.382 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 41 27.695 -11.749 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 41 28.290 -11.431 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 41 29.263 -12.695 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 41 27.917 -13.149 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 41 26.071 -10.948 -1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 41 25.524 -12.630 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 41 25.242 -11.777 -0.519 1.00 0.00 H new ATOM 562 N ASP A 42 28.717 -15.739 -0.249 1.00 0.00 N ATOM 563 CA ASP A 42 29.997 -16.495 -0.108 1.00 0.00 C ATOM 564 C ASP A 42 31.144 -15.930 -1.012 1.00 0.00 C ATOM 565 O ASP A 42 31.235 -16.260 -2.199 1.00 0.00 O ATOM 566 CB ASP A 42 29.733 -18.017 -0.305 1.00 0.00 C ATOM 567 CG ASP A 42 29.018 -18.521 -1.572 1.00 0.00 C ATOM 568 OD1 ASP A 42 29.596 -18.078 -2.728 1.00 0.00 O ATOM 569 OD2 ASP A 42 28.029 -19.246 -1.530 1.00 0.00 O ATOM 0 H ASP A 42 27.985 -16.261 -0.731 1.00 0.00 H new ATOM 0 HA ASP A 42 30.371 -16.355 0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 42 30.698 -18.521 -0.256 1.00 0.00 H new ATOM 0 HB3 ASP A 42 29.151 -18.358 0.552 1.00 0.00 H new ATOM 574 N GLY A 43 31.978 -15.049 -0.446 1.00 0.00 N ATOM 575 CA GLY A 43 32.865 -14.161 -1.248 1.00 0.00 C ATOM 576 C GLY A 43 33.131 -12.770 -0.631 1.00 0.00 C ATOM 577 O GLY A 43 34.281 -12.328 -0.609 1.00 0.00 O ATOM 0 H GLY A 43 32.066 -14.923 0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.820 -14.665 -1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.421 -14.025 -2.234 1.00 0.00 H new ATOM 581 N PHE A 44 32.084 -12.068 -0.156 1.00 0.00 N ATOM 582 CA PHE A 44 32.237 -10.734 0.483 1.00 0.00 C ATOM 583 C PHE A 44 32.696 -10.826 1.980 1.00 0.00 C ATOM 584 O PHE A 44 32.178 -11.619 2.775 1.00 0.00 O ATOM 585 CB PHE A 44 30.891 -9.973 0.309 1.00 0.00 C ATOM 586 CG PHE A 44 30.933 -8.495 0.746 1.00 0.00 C ATOM 587 CD1 PHE A 44 31.401 -7.507 -0.127 1.00 0.00 C ATOM 588 CD2 PHE A 44 30.569 -8.140 2.049 1.00 0.00 C ATOM 589 CE1 PHE A 44 31.521 -6.189 0.307 1.00 0.00 C ATOM 590 CE2 PHE A 44 30.703 -6.827 2.486 1.00 0.00 C ATOM 591 CZ PHE A 44 31.177 -5.850 1.615 1.00 0.00 C ATOM 0 H PHE A 44 31.120 -12.398 -0.200 1.00 0.00 H new ATOM 0 HA PHE A 44 33.038 -10.180 -0.007 1.00 0.00 H new ATOM 0 HB2 PHE A 44 30.593 -10.021 -0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 44 30.120 -10.487 0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 44 31.670 -7.767 -1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 44 30.181 -8.891 2.721 1.00 0.00 H new ATOM 0 HE1 PHE A 44 31.881 -5.429 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 44 30.440 -6.565 3.500 1.00 0.00 H new ATOM 0 HZ PHE A 44 31.278 -4.829 1.953 1.00 0.00 H new ATOM 601 N ASN A 45 33.630 -9.944 2.371 1.00 0.00 N ATOM 602 CA ASN A 45 34.065 -9.755 3.765 1.00 0.00 C ATOM 603 C ASN A 45 33.040 -8.956 4.641 1.00 0.00 C ATOM 604 O ASN A 45 33.104 -7.730 4.752 1.00 0.00 O ATOM 605 CB ASN A 45 35.498 -9.164 3.705 1.00 0.00 C ATOM 606 CG ASN A 45 35.738 -7.825 2.998 1.00 0.00 C ATOM 607 OD1 ASN A 45 35.698 -6.745 3.576 1.00 0.00 O ATOM 608 ND2 ASN A 45 35.997 -7.866 1.718 1.00 0.00 N ATOM 0 H ASN A 45 34.113 -9.331 1.715 1.00 0.00 H new ATOM 0 HA ASN A 45 34.097 -10.706 4.297 1.00 0.00 H new ATOM 0 HB2 ASN A 45 35.850 -9.058 4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 45 36.136 -9.905 3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 45 36.165 -7.001 1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 45 36.031 -8.763 1.233 1.00 0.00 H new ATOM 615 N TYR A 46 32.092 -9.667 5.273 1.00 0.00 N ATOM 616 CA TYR A 46 31.103 -9.042 6.201 1.00 0.00 C ATOM 617 C TYR A 46 31.695 -8.774 7.630 1.00 0.00 C ATOM 618 O TYR A 46 32.672 -9.407 8.051 1.00 0.00 O ATOM 619 CB TYR A 46 29.829 -9.936 6.282 1.00 0.00 C ATOM 620 CG TYR A 46 28.963 -10.050 5.014 1.00 0.00 C ATOM 621 CD1 TYR A 46 27.940 -9.130 4.767 1.00 0.00 C ATOM 622 CD2 TYR A 46 29.136 -11.129 4.140 1.00 0.00 C ATOM 623 CE1 TYR A 46 27.077 -9.306 3.689 1.00 0.00 C ATOM 624 CE2 TYR A 46 28.286 -11.292 3.050 1.00 0.00 C ATOM 625 CZ TYR A 46 27.242 -10.395 2.839 1.00 0.00 C ATOM 626 OH TYR A 46 26.335 -10.614 1.837 1.00 0.00 O ATOM 0 H TYR A 46 31.980 -10.675 5.166 1.00 0.00 H new ATOM 0 HA TYR A 46 30.839 -8.065 5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 46 30.140 -10.940 6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 46 29.200 -9.555 7.086 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.818 -8.276 5.417 1.00 0.00 H new ATOM 0 HD2 TYR A 46 29.932 -11.838 4.312 1.00 0.00 H new ATOM 0 HE1 TYR A 46 26.281 -8.598 3.513 1.00 0.00 H new ATOM 0 HE2 TYR A 46 28.436 -12.115 2.367 1.00 0.00 H new ATOM 0 HH TYR A 46 25.960 -9.758 1.542 1.00 0.00 H new ATOM 636 N SER A 47 31.086 -7.852 8.405 1.00 0.00 N ATOM 637 CA SER A 47 31.504 -7.593 9.812 1.00 0.00 C ATOM 638 C SER A 47 31.166 -8.749 10.818 1.00 0.00 C ATOM 639 O SER A 47 30.289 -9.588 10.586 1.00 0.00 O ATOM 640 CB SER A 47 30.953 -6.211 10.254 1.00 0.00 C ATOM 641 OG SER A 47 29.534 -6.189 10.435 1.00 0.00 O ATOM 0 H SER A 47 30.307 -7.274 8.089 1.00 0.00 H new ATOM 0 HA SER A 47 32.593 -7.567 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 47 31.434 -5.920 11.188 1.00 0.00 H new ATOM 0 HB3 SER A 47 31.227 -5.465 9.508 1.00 0.00 H new ATOM 0 HG SER A 47 29.286 -5.415 10.983 1.00 0.00 H new ATOM 647 N ASP A 48 31.870 -8.777 11.965 1.00 0.00 N ATOM 648 CA ASP A 48 31.627 -9.779 13.050 1.00 0.00 C ATOM 649 C ASP A 48 30.167 -9.820 13.647 1.00 0.00 C ATOM 650 O ASP A 48 29.633 -10.933 13.696 1.00 0.00 O ATOM 651 CB ASP A 48 32.703 -9.640 14.161 1.00 0.00 C ATOM 652 CG ASP A 48 34.133 -9.967 13.729 1.00 0.00 C ATOM 653 OD1 ASP A 48 34.366 -11.307 13.679 1.00 0.00 O ATOM 654 OD2 ASP A 48 34.972 -9.116 13.452 1.00 0.00 O ATOM 0 H ASP A 48 32.619 -8.118 12.176 1.00 0.00 H new ATOM 0 HA ASP A 48 31.720 -10.749 12.562 1.00 0.00 H new ATOM 0 HB2 ASP A 48 32.680 -8.618 14.541 1.00 0.00 H new ATOM 0 HB3 ASP A 48 32.433 -10.294 14.990 1.00 0.00 H new ATOM 659 N PRO A 49 29.459 -8.721 14.062 1.00 0.00 N ATOM 660 CA PRO A 49 28.012 -8.792 14.427 1.00 0.00 C ATOM 661 C PRO A 49 26.997 -9.091 13.266 1.00 0.00 C ATOM 662 O PRO A 49 25.927 -9.647 13.524 1.00 0.00 O ATOM 663 CB PRO A 49 27.803 -7.437 15.127 1.00 0.00 C ATOM 664 CG PRO A 49 28.778 -6.487 14.433 1.00 0.00 C ATOM 665 CD PRO A 49 29.982 -7.340 14.053 1.00 0.00 C ATOM 0 HA PRO A 49 27.792 -9.660 15.049 1.00 0.00 H new ATOM 0 HB2 PRO A 49 26.774 -7.093 15.024 1.00 0.00 H new ATOM 0 HB3 PRO A 49 28.011 -7.507 16.195 1.00 0.00 H new ATOM 0 HG2 PRO A 49 28.324 -6.035 13.551 1.00 0.00 H new ATOM 0 HG3 PRO A 49 29.069 -5.672 15.095 1.00 0.00 H new ATOM 0 HD2 PRO A 49 30.371 -7.067 13.072 1.00 0.00 H new ATOM 0 HD3 PRO A 49 30.798 -7.218 14.765 1.00 0.00 H new ATOM 673 N MET A 50 27.343 -8.786 11.999 1.00 0.00 N ATOM 674 CA MET A 50 26.634 -9.328 10.804 1.00 0.00 C ATOM 675 C MET A 50 26.709 -10.887 10.647 1.00 0.00 C ATOM 676 O MET A 50 25.671 -11.542 10.518 1.00 0.00 O ATOM 677 CB MET A 50 27.198 -8.560 9.578 1.00 0.00 C ATOM 678 CG MET A 50 26.398 -8.750 8.285 1.00 0.00 C ATOM 679 SD MET A 50 24.767 -8.029 8.500 1.00 0.00 S ATOM 680 CE MET A 50 24.613 -7.067 6.998 1.00 0.00 C ATOM 0 H MET A 50 28.116 -8.162 11.768 1.00 0.00 H new ATOM 0 HA MET A 50 25.562 -9.164 10.911 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.232 -7.497 9.816 1.00 0.00 H new ATOM 0 HB3 MET A 50 28.225 -8.881 9.405 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.913 -8.275 7.450 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.313 -9.810 8.046 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.559 -6.961 6.740 1.00 0.00 H new ATOM 0 HE2 MET A 50 25.050 -6.080 7.151 1.00 0.00 H new ATOM 0 HE3 MET A 50 25.136 -7.573 6.187 1.00 0.00 H new ATOM 690 N LYS A 51 27.921 -11.471 10.703 1.00 0.00 N ATOM 691 CA LYS A 51 28.125 -12.947 10.795 1.00 0.00 C ATOM 692 C LYS A 51 27.499 -13.640 12.055 1.00 0.00 C ATOM 693 O LYS A 51 26.902 -14.710 11.914 1.00 0.00 O ATOM 694 CB LYS A 51 29.654 -13.210 10.687 1.00 0.00 C ATOM 695 CG LYS A 51 30.267 -13.012 9.277 1.00 0.00 C ATOM 696 CD LYS A 51 31.788 -12.771 9.321 1.00 0.00 C ATOM 697 CE LYS A 51 32.436 -12.806 7.928 1.00 0.00 C ATOM 698 NZ LYS A 51 33.802 -12.253 8.000 1.00 0.00 N ATOM 0 H LYS A 51 28.792 -10.941 10.686 1.00 0.00 H new ATOM 0 HA LYS A 51 27.578 -13.409 9.973 1.00 0.00 H new ATOM 0 HB2 LYS A 51 30.169 -12.549 11.384 1.00 0.00 H new ATOM 0 HB3 LYS A 51 29.853 -14.232 11.010 1.00 0.00 H new ATOM 0 HG2 LYS A 51 30.060 -13.892 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 51 29.783 -12.166 8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 51 31.985 -11.804 9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 51 32.253 -13.528 9.952 1.00 0.00 H new ATOM 0 HE2 LYS A 51 32.467 -13.830 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 51 31.837 -12.230 7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 34.335 -12.533 7.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 33.754 -11.215 8.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 34.281 -12.620 8.847 1.00 0.00 H new ATOM 711 N ALA A 52 27.586 -13.034 13.258 1.00 0.00 N ATOM 712 CA ALA A 52 26.834 -13.500 14.458 1.00 0.00 C ATOM 713 C ALA A 52 25.265 -13.424 14.433 1.00 0.00 C ATOM 714 O ALA A 52 24.629 -14.164 15.187 1.00 0.00 O ATOM 715 CB ALA A 52 27.410 -12.734 15.662 1.00 0.00 C ATOM 0 H ALA A 52 28.171 -12.216 13.431 1.00 0.00 H new ATOM 0 HA ALA A 52 26.985 -14.578 14.506 1.00 0.00 H new ATOM 0 HB1 ALA A 52 26.891 -13.040 16.570 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.473 -12.955 15.759 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.275 -11.663 15.510 1.00 0.00 H new ATOM 721 N HIS A 53 24.635 -12.589 13.578 1.00 0.00 N ATOM 722 CA HIS A 53 23.166 -12.650 13.311 1.00 0.00 C ATOM 723 C HIS A 53 22.736 -13.976 12.588 1.00 0.00 C ATOM 724 O HIS A 53 21.974 -14.756 13.167 1.00 0.00 O ATOM 725 CB HIS A 53 22.747 -11.331 12.587 1.00 0.00 C ATOM 726 CG HIS A 53 21.242 -11.021 12.468 1.00 0.00 C ATOM 727 ND1 HIS A 53 20.259 -11.934 12.099 1.00 0.00 N ATOM 728 CD2 HIS A 53 20.678 -9.736 12.595 1.00 0.00 C ATOM 729 CE1 HIS A 53 19.171 -11.101 12.057 1.00 0.00 C ATOM 730 NE2 HIS A 53 19.321 -9.770 12.331 1.00 0.00 N ATOM 0 H HIS A 53 25.117 -11.858 13.054 1.00 0.00 H new ATOM 0 HA HIS A 53 22.612 -12.701 14.248 1.00 0.00 H new ATOM 0 HB2 HIS A 53 23.220 -10.499 13.108 1.00 0.00 H new ATOM 0 HB3 HIS A 53 23.164 -11.355 11.580 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.230 -8.847 12.862 1.00 0.00 H new ATOM 0 HE1 HIS A 53 18.197 -11.496 11.808 1.00 0.00 H new ATOM 0 HE2 HIS A 53 18.631 -9.019 12.339 1.00 0.00 H new ATOM 738 N GLY A 54 23.197 -14.232 11.345 1.00 0.00 N ATOM 739 CA GLY A 54 22.772 -15.427 10.564 1.00 0.00 C ATOM 740 C GLY A 54 21.288 -15.407 10.127 1.00 0.00 C ATOM 741 O GLY A 54 20.839 -14.444 9.506 1.00 0.00 O ATOM 0 H GLY A 54 23.862 -13.632 10.857 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.399 -15.508 9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.950 -16.320 11.163 1.00 0.00 H new ATOM 745 N GLY A 55 20.520 -16.462 10.441 1.00 0.00 N ATOM 746 CA GLY A 55 19.033 -16.440 10.320 1.00 0.00 C ATOM 747 C GLY A 55 18.461 -16.122 8.920 1.00 0.00 C ATOM 748 O GLY A 55 18.747 -16.851 7.968 1.00 0.00 O ATOM 0 H GLY A 55 20.894 -17.347 10.782 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.651 -17.412 10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 55 18.644 -15.703 11.023 1.00 0.00 H new ATOM 752 N ASP A 56 17.688 -15.026 8.797 1.00 0.00 N ATOM 753 CA ASP A 56 17.245 -14.502 7.477 1.00 0.00 C ATOM 754 C ASP A 56 16.937 -12.973 7.482 1.00 0.00 C ATOM 755 O ASP A 56 16.433 -12.408 8.459 1.00 0.00 O ATOM 756 CB ASP A 56 15.973 -15.245 6.963 1.00 0.00 C ATOM 757 CG ASP A 56 16.139 -16.670 6.447 1.00 0.00 C ATOM 758 OD1 ASP A 56 16.994 -16.742 5.392 1.00 0.00 O ATOM 759 OD2 ASP A 56 15.548 -17.638 6.913 1.00 0.00 O ATOM 0 H ASP A 56 17.354 -14.481 9.592 1.00 0.00 H new ATOM 0 HA ASP A 56 18.091 -14.682 6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.247 -15.266 7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.538 -14.648 6.162 1.00 0.00 H new ATOM 764 N TRP A 57 17.109 -12.342 6.304 1.00 0.00 N ATOM 765 CA TRP A 57 16.471 -11.040 5.983 1.00 0.00 C ATOM 766 C TRP A 57 14.982 -11.201 5.544 1.00 0.00 C ATOM 767 O TRP A 57 14.656 -11.268 4.356 1.00 0.00 O ATOM 768 CB TRP A 57 17.320 -10.282 4.918 1.00 0.00 C ATOM 769 CG TRP A 57 18.534 -9.514 5.450 1.00 0.00 C ATOM 770 CD1 TRP A 57 19.863 -9.707 5.021 1.00 0.00 C ATOM 771 CD2 TRP A 57 18.605 -8.624 6.514 1.00 0.00 C ATOM 772 NE1 TRP A 57 20.771 -8.976 5.816 1.00 0.00 N ATOM 773 CE2 TRP A 57 19.971 -8.353 6.759 1.00 0.00 C ATOM 774 CE3 TRP A 57 17.607 -8.136 7.406 1.00 0.00 C ATOM 775 CZ2 TRP A 57 20.356 -7.702 7.951 1.00 0.00 C ATOM 776 CZ3 TRP A 57 18.012 -7.479 8.563 1.00 0.00 C ATOM 777 CH2 TRP A 57 19.367 -7.287 8.844 1.00 0.00 C ATOM 0 H TRP A 57 17.688 -12.713 5.551 1.00 0.00 H new ATOM 0 HA TRP A 57 16.446 -10.440 6.893 1.00 0.00 H new ATOM 0 HB2 TRP A 57 17.667 -11.003 4.178 1.00 0.00 H new ATOM 0 HB3 TRP A 57 16.670 -9.579 4.397 1.00 0.00 H new ATOM 0 HD1 TRP A 57 20.150 -10.334 4.190 1.00 0.00 H new ATOM 0 HE1 TRP A 57 21.785 -8.919 5.718 1.00 0.00 H new ATOM 0 HE3 TRP A 57 16.558 -8.273 7.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 21.399 -7.528 8.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 17.268 -7.112 9.254 1.00 0.00 H new ATOM 0 HH2 TRP A 57 19.654 -6.809 9.769 1.00 0.00 H new ATOM 788 N THR A 58 14.070 -11.218 6.526 1.00 0.00 N ATOM 789 CA THR A 58 12.598 -11.255 6.281 1.00 0.00 C ATOM 790 C THR A 58 12.022 -9.898 5.721 1.00 0.00 C ATOM 791 O THR A 58 12.605 -8.841 6.008 1.00 0.00 O ATOM 792 CB THR A 58 11.852 -11.675 7.594 1.00 0.00 C ATOM 793 OG1 THR A 58 12.095 -10.759 8.656 1.00 0.00 O ATOM 794 CG2 THR A 58 12.182 -13.082 8.120 1.00 0.00 C ATOM 0 H THR A 58 14.318 -11.207 7.515 1.00 0.00 H new ATOM 0 HA THR A 58 12.424 -11.998 5.503 1.00 0.00 H new ATOM 0 HB THR A 58 10.805 -11.671 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.613 -11.052 9.457 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.614 -13.273 9.030 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.918 -13.823 7.366 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.248 -13.148 8.337 1.00 0.00 H new ATOM 802 N PRO A 59 10.856 -9.834 5.001 1.00 0.00 N ATOM 803 CA PRO A 59 10.216 -8.533 4.603 1.00 0.00 C ATOM 804 C PRO A 59 9.646 -7.576 5.722 1.00 0.00 C ATOM 805 O PRO A 59 8.891 -6.649 5.422 1.00 0.00 O ATOM 806 CB PRO A 59 9.133 -9.029 3.619 1.00 0.00 C ATOM 807 CG PRO A 59 8.767 -10.438 4.083 1.00 0.00 C ATOM 808 CD PRO A 59 10.094 -11.024 4.557 1.00 0.00 C ATOM 0 HA PRO A 59 10.966 -7.849 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.262 -8.374 3.633 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.509 -9.039 2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.030 -10.416 4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.337 -11.027 3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.951 -11.736 5.370 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.608 -11.554 3.755 1.00 0.00 H new ATOM 816 N GLU A 60 10.056 -7.771 6.983 1.00 0.00 N ATOM 817 CA GLU A 60 9.809 -6.848 8.127 1.00 0.00 C ATOM 818 C GLU A 60 11.131 -6.527 8.910 1.00 0.00 C ATOM 819 O GLU A 60 11.352 -5.359 9.242 1.00 0.00 O ATOM 820 CB GLU A 60 8.692 -7.398 9.053 1.00 0.00 C ATOM 821 CG GLU A 60 7.275 -7.386 8.425 1.00 0.00 C ATOM 822 CD GLU A 60 6.167 -7.782 9.396 1.00 0.00 C ATOM 823 OE1 GLU A 60 5.664 -6.702 10.064 1.00 0.00 O ATOM 824 OE2 GLU A 60 5.783 -8.937 9.552 1.00 0.00 O ATOM 0 H GLU A 60 10.587 -8.598 7.256 1.00 0.00 H new ATOM 0 HA GLU A 60 9.454 -5.900 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.942 -8.421 9.336 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.675 -6.809 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.067 -6.388 8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.259 -8.067 7.574 1.00 0.00 H new ATOM 831 N ALA A 61 12.051 -7.496 9.150 1.00 0.00 N ATOM 832 CA ALA A 61 13.466 -7.195 9.521 1.00 0.00 C ATOM 833 C ALA A 61 14.250 -6.256 8.540 1.00 0.00 C ATOM 834 O ALA A 61 14.895 -5.315 9.008 1.00 0.00 O ATOM 835 CB ALA A 61 14.194 -8.536 9.736 1.00 0.00 C ATOM 0 H ALA A 61 11.843 -8.493 9.094 1.00 0.00 H new ATOM 0 HA ALA A 61 13.435 -6.605 10.437 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.232 -8.347 10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.704 -9.092 10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.161 -9.119 8.816 1.00 0.00 H new ATOM 841 N LEU A 62 14.124 -6.431 7.205 1.00 0.00 N ATOM 842 CA LEU A 62 14.503 -5.378 6.212 1.00 0.00 C ATOM 843 C LEU A 62 13.756 -4.006 6.335 1.00 0.00 C ATOM 844 O LEU A 62 14.368 -2.980 6.054 1.00 0.00 O ATOM 845 CB LEU A 62 14.340 -5.910 4.762 1.00 0.00 C ATOM 846 CG LEU A 62 15.273 -7.059 4.305 1.00 0.00 C ATOM 847 CD1 LEU A 62 14.774 -7.658 2.983 1.00 0.00 C ATOM 848 CD2 LEU A 62 16.718 -6.561 4.122 1.00 0.00 C ATOM 0 H LEU A 62 13.764 -7.287 6.783 1.00 0.00 H new ATOM 0 HA LEU A 62 15.545 -5.165 6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.310 -6.247 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.482 -5.072 4.080 1.00 0.00 H new ATOM 0 HG LEU A 62 15.260 -7.824 5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.440 -8.464 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.767 -8.051 3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.761 -6.885 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.350 -7.389 3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.739 -5.775 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.089 -6.166 5.068 1.00 0.00 H new ATOM 860 N GLN A 63 12.476 -3.945 6.748 1.00 0.00 N ATOM 861 CA GLN A 63 11.783 -2.646 7.032 1.00 0.00 C ATOM 862 C GLN A 63 12.295 -1.841 8.276 1.00 0.00 C ATOM 863 O GLN A 63 12.233 -0.606 8.265 1.00 0.00 O ATOM 864 CB GLN A 63 10.245 -2.851 7.135 1.00 0.00 C ATOM 865 CG GLN A 63 9.539 -3.383 5.863 1.00 0.00 C ATOM 866 CD GLN A 63 8.022 -3.570 5.988 1.00 0.00 C ATOM 867 OE1 GLN A 63 7.459 -3.820 7.050 1.00 0.00 O ATOM 868 NE2 GLN A 63 7.308 -3.474 4.893 1.00 0.00 N ATOM 0 H GLN A 63 11.892 -4.768 6.896 1.00 0.00 H new ATOM 0 HA GLN A 63 12.040 -2.025 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.046 -3.544 7.953 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.790 -1.898 7.406 1.00 0.00 H new ATOM 0 HG2 GLN A 63 9.738 -2.694 5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.986 -4.340 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.763 -3.267 4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.297 -3.607 4.930 1.00 0.00 H new ATOM 877 N GLU A 64 12.794 -2.518 9.324 1.00 0.00 N ATOM 878 CA GLU A 64 13.611 -1.886 10.397 1.00 0.00 C ATOM 879 C GLU A 64 15.088 -1.604 9.946 1.00 0.00 C ATOM 880 O GLU A 64 15.553 -0.468 10.074 1.00 0.00 O ATOM 881 CB GLU A 64 13.539 -2.781 11.665 1.00 0.00 C ATOM 882 CG GLU A 64 12.147 -2.907 12.334 1.00 0.00 C ATOM 883 CD GLU A 64 12.147 -3.826 13.552 1.00 0.00 C ATOM 884 OE1 GLU A 64 12.021 -5.140 13.211 1.00 0.00 O ATOM 885 OE2 GLU A 64 12.251 -3.430 14.708 1.00 0.00 O ATOM 0 H GLU A 64 12.648 -3.518 9.460 1.00 0.00 H new ATOM 0 HA GLU A 64 13.197 -0.904 10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.883 -3.780 11.399 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.239 -2.388 12.402 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.804 -1.917 12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.432 -3.284 11.602 1.00 0.00 H new ATOM 892 N PHE A 65 15.811 -2.601 9.390 1.00 0.00 N ATOM 893 CA PHE A 65 17.200 -2.434 8.872 1.00 0.00 C ATOM 894 C PHE A 65 17.379 -1.401 7.721 1.00 0.00 C ATOM 895 O PHE A 65 18.314 -0.609 7.791 1.00 0.00 O ATOM 896 CB PHE A 65 17.711 -3.843 8.487 1.00 0.00 C ATOM 897 CG PHE A 65 19.161 -3.976 7.988 1.00 0.00 C ATOM 898 CD1 PHE A 65 20.234 -3.916 8.884 1.00 0.00 C ATOM 899 CD2 PHE A 65 19.401 -4.325 6.655 1.00 0.00 C ATOM 900 CE1 PHE A 65 21.517 -4.260 8.466 1.00 0.00 C ATOM 901 CE2 PHE A 65 20.683 -4.682 6.246 1.00 0.00 C ATOM 902 CZ PHE A 65 21.732 -4.683 7.159 1.00 0.00 C ATOM 0 H PHE A 65 15.452 -3.550 9.284 1.00 0.00 H new ATOM 0 HA PHE A 65 17.801 -1.990 9.665 1.00 0.00 H new ATOM 0 HB2 PHE A 65 17.597 -4.489 9.358 1.00 0.00 H new ATOM 0 HB3 PHE A 65 17.054 -4.236 7.711 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.067 -3.602 9.904 1.00 0.00 H new ATOM 0 HD2 PHE A 65 18.590 -4.318 5.942 1.00 0.00 H new ATOM 0 HE1 PHE A 65 22.345 -4.198 9.157 1.00 0.00 H new ATOM 0 HE2 PHE A 65 20.863 -4.959 5.218 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.714 -5.012 6.853 1.00 0.00 H new ATOM 912 N LEU A 66 16.513 -1.341 6.696 1.00 0.00 N ATOM 913 CA LEU A 66 16.563 -0.231 5.697 1.00 0.00 C ATOM 914 C LEU A 66 16.218 1.216 6.195 1.00 0.00 C ATOM 915 O LEU A 66 16.488 2.162 5.456 1.00 0.00 O ATOM 916 CB LEU A 66 15.759 -0.642 4.432 1.00 0.00 C ATOM 917 CG LEU A 66 16.268 -1.881 3.641 1.00 0.00 C ATOM 918 CD1 LEU A 66 15.400 -2.111 2.392 1.00 0.00 C ATOM 919 CD2 LEU A 66 17.752 -1.761 3.253 1.00 0.00 C ATOM 0 H LEU A 66 15.778 -2.028 6.528 1.00 0.00 H new ATOM 0 HA LEU A 66 17.621 -0.114 5.461 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.729 -0.833 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.740 0.209 3.752 1.00 0.00 H new ATOM 0 HG LEU A 66 16.181 -2.743 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 66 15.768 -2.981 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.367 -2.282 2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.450 -1.233 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.057 -2.651 2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.894 -0.881 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.357 -1.666 4.155 1.00 0.00 H new ATOM 931 N THR A 67 15.705 1.416 7.422 1.00 0.00 N ATOM 932 CA THR A 67 15.590 2.762 8.073 1.00 0.00 C ATOM 933 C THR A 67 16.647 3.046 9.191 1.00 0.00 C ATOM 934 O THR A 67 17.067 4.196 9.326 1.00 0.00 O ATOM 935 CB THR A 67 14.112 2.979 8.491 1.00 0.00 C ATOM 936 OG1 THR A 67 13.344 3.062 7.302 1.00 0.00 O ATOM 937 CG2 THR A 67 13.779 4.268 9.253 1.00 0.00 C ATOM 0 H THR A 67 15.353 0.655 8.004 1.00 0.00 H new ATOM 0 HA THR A 67 15.856 3.527 7.343 1.00 0.00 H new ATOM 0 HB THR A 67 13.899 2.146 9.162 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.063 3.990 7.158 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.714 4.290 9.482 1.00 0.00 H new ATOM 0 HG22 THR A 67 14.350 4.300 10.181 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.036 5.131 8.638 1.00 0.00 H new ATOM 945 N ASN A 68 17.079 2.062 9.994 1.00 0.00 N ATOM 946 CA ASN A 68 18.219 2.208 10.938 1.00 0.00 C ATOM 947 C ASN A 68 19.148 0.942 10.780 1.00 0.00 C ATOM 948 O ASN A 68 19.051 0.021 11.602 1.00 0.00 O ATOM 949 CB ASN A 68 17.659 2.472 12.367 1.00 0.00 C ATOM 950 CG ASN A 68 17.521 3.918 12.861 1.00 0.00 C ATOM 951 OD1 ASN A 68 17.983 4.266 13.941 1.00 0.00 O ATOM 952 ND2 ASN A 68 16.885 4.809 12.145 1.00 0.00 N ATOM 0 H ASN A 68 16.652 1.136 10.014 1.00 0.00 H new ATOM 0 HA ASN A 68 18.852 3.069 10.723 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.673 2.010 12.424 1.00 0.00 H new ATOM 0 HB3 ASN A 68 18.299 1.944 13.073 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.785 5.764 12.490 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.489 4.549 11.241 1.00 0.00 H new ATOM 959 N PRO A 69 20.076 0.856 9.769 1.00 0.00 N ATOM 960 CA PRO A 69 20.962 -0.328 9.555 1.00 0.00 C ATOM 961 C PRO A 69 21.842 -0.782 10.750 1.00 0.00 C ATOM 962 O PRO A 69 21.863 -1.965 11.102 1.00 0.00 O ATOM 963 CB PRO A 69 21.800 0.075 8.316 1.00 0.00 C ATOM 964 CG PRO A 69 20.972 1.116 7.565 1.00 0.00 C ATOM 965 CD PRO A 69 20.121 1.792 8.633 1.00 0.00 C ATOM 0 HA PRO A 69 20.355 -1.224 9.421 1.00 0.00 H new ATOM 0 HB2 PRO A 69 22.764 0.486 8.615 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.004 -0.790 7.685 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.612 1.837 7.056 1.00 0.00 H new ATOM 0 HG3 PRO A 69 20.349 0.649 6.802 1.00 0.00 H new ATOM 0 HD2 PRO A 69 20.555 2.747 8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.119 2.000 8.259 1.00 0.00 H new ATOM 973 N LYS A 70 22.510 0.188 11.394 1.00 0.00 N ATOM 974 CA LYS A 70 23.255 -0.060 12.662 1.00 0.00 C ATOM 975 C LYS A 70 22.431 -0.043 14.003 1.00 0.00 C ATOM 976 O LYS A 70 23.036 -0.059 15.076 1.00 0.00 O ATOM 977 CB LYS A 70 24.531 0.824 12.676 1.00 0.00 C ATOM 978 CG LYS A 70 24.280 2.334 12.862 1.00 0.00 C ATOM 979 CD LYS A 70 25.551 3.195 13.000 1.00 0.00 C ATOM 980 CE LYS A 70 26.346 3.348 11.691 1.00 0.00 C ATOM 981 NZ LYS A 70 27.505 4.236 11.899 1.00 0.00 N ATOM 0 H LYS A 70 22.556 1.153 11.067 1.00 0.00 H new ATOM 0 HA LYS A 70 23.538 -1.112 12.647 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.184 0.479 13.477 1.00 0.00 H new ATOM 0 HB3 LYS A 70 25.068 0.674 11.740 1.00 0.00 H new ATOM 0 HG2 LYS A 70 23.703 2.698 12.012 1.00 0.00 H new ATOM 0 HG3 LYS A 70 23.664 2.478 13.750 1.00 0.00 H new ATOM 0 HD2 LYS A 70 25.270 4.184 13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 70 26.198 2.751 13.757 1.00 0.00 H new ATOM 0 HE2 LYS A 70 26.685 2.371 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 70 25.702 3.755 10.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 28.034 4.331 11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 27.174 5.173 12.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 28.126 3.831 12.628 1.00 0.00 H new ATOM 994 N ALA A 71 21.086 -0.064 13.971 1.00 0.00 N ATOM 995 CA ALA A 71 20.247 -0.492 15.127 1.00 0.00 C ATOM 996 C ALA A 71 19.874 -2.012 15.106 1.00 0.00 C ATOM 997 O ALA A 71 19.971 -2.673 16.141 1.00 0.00 O ATOM 998 CB ALA A 71 19.000 0.409 15.150 1.00 0.00 C ATOM 0 H ALA A 71 20.544 0.212 13.152 1.00 0.00 H new ATOM 0 HA ALA A 71 20.824 -0.375 16.045 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.361 0.124 15.985 1.00 0.00 H new ATOM 0 HB2 ALA A 71 19.305 1.449 15.265 1.00 0.00 H new ATOM 0 HB3 ALA A 71 18.450 0.293 14.216 1.00 0.00 H new ATOM 1004 N VAL A 72 19.467 -2.572 13.944 1.00 0.00 N ATOM 1005 CA VAL A 72 19.232 -4.041 13.775 1.00 0.00 C ATOM 1006 C VAL A 72 20.574 -4.861 13.772 1.00 0.00 C ATOM 1007 O VAL A 72 20.679 -5.838 14.517 1.00 0.00 O ATOM 1008 CB VAL A 72 18.308 -4.284 12.526 1.00 0.00 C ATOM 1009 CG1 VAL A 72 18.127 -5.771 12.150 1.00 0.00 C ATOM 1010 CG2 VAL A 72 16.881 -3.699 12.664 1.00 0.00 C ATOM 0 H VAL A 72 19.291 -2.031 13.098 1.00 0.00 H new ATOM 0 HA VAL A 72 18.696 -4.428 14.642 1.00 0.00 H new ATOM 0 HB VAL A 72 18.858 -3.759 11.745 1.00 0.00 H new ATOM 0 HG11 VAL A 72 17.476 -5.849 11.279 1.00 0.00 H new ATOM 0 HG12 VAL A 72 19.098 -6.208 11.918 1.00 0.00 H new ATOM 0 HG13 VAL A 72 17.679 -6.306 12.987 1.00 0.00 H new ATOM 0 HG21 VAL A 72 16.312 -3.911 11.759 1.00 0.00 H new ATOM 0 HG22 VAL A 72 16.383 -4.153 13.521 1.00 0.00 H new ATOM 0 HG23 VAL A 72 16.942 -2.620 12.809 1.00 0.00 H new ATOM 1020 N VAL A 73 21.582 -4.482 12.960 1.00 0.00 N ATOM 1021 CA VAL A 73 22.956 -5.070 13.051 1.00 0.00 C ATOM 1022 C VAL A 73 23.895 -3.955 13.611 1.00 0.00 C ATOM 1023 O VAL A 73 24.498 -3.202 12.840 1.00 0.00 O ATOM 1024 CB VAL A 73 23.444 -5.632 11.671 1.00 0.00 C ATOM 1025 CG1 VAL A 73 24.877 -6.214 11.717 1.00 0.00 C ATOM 1026 CG2 VAL A 73 22.550 -6.731 11.061 1.00 0.00 C ATOM 0 H VAL A 73 21.482 -3.774 12.232 1.00 0.00 H new ATOM 0 HA VAL A 73 22.962 -5.930 13.720 1.00 0.00 H new ATOM 0 HB VAL A 73 23.401 -4.742 11.044 1.00 0.00 H new ATOM 0 HG11 VAL A 73 25.151 -6.585 10.729 1.00 0.00 H new ATOM 0 HG12 VAL A 73 25.577 -5.435 12.019 1.00 0.00 H new ATOM 0 HG13 VAL A 73 24.914 -7.033 12.435 1.00 0.00 H new ATOM 0 HG21 VAL A 73 22.970 -7.055 10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 73 22.500 -7.580 11.743 1.00 0.00 H new ATOM 0 HG23 VAL A 73 21.547 -6.336 10.899 1.00 0.00 H new ATOM 1036 N LYS A 74 24.057 -3.863 14.943 1.00 0.00 N ATOM 1037 CA LYS A 74 24.951 -2.849 15.580 1.00 0.00 C ATOM 1038 C LYS A 74 26.457 -3.146 15.268 1.00 0.00 C ATOM 1039 O LYS A 74 27.033 -4.132 15.737 1.00 0.00 O ATOM 1040 CB LYS A 74 24.695 -2.824 17.111 1.00 0.00 C ATOM 1041 CG LYS A 74 23.307 -2.307 17.552 1.00 0.00 C ATOM 1042 CD LYS A 74 23.167 -2.267 19.080 1.00 0.00 C ATOM 1043 CE LYS A 74 21.775 -1.780 19.513 1.00 0.00 C ATOM 1044 NZ LYS A 74 21.678 -1.765 20.985 1.00 0.00 N ATOM 0 H LYS A 74 23.585 -4.474 15.609 1.00 0.00 H new ATOM 0 HA LYS A 74 24.723 -1.868 15.164 1.00 0.00 H new ATOM 0 HB2 LYS A 74 24.826 -3.834 17.499 1.00 0.00 H new ATOM 0 HB3 LYS A 74 25.459 -2.202 17.578 1.00 0.00 H new ATOM 0 HG2 LYS A 74 23.147 -1.308 17.147 1.00 0.00 H new ATOM 0 HG3 LYS A 74 22.531 -2.949 17.134 1.00 0.00 H new ATOM 0 HD2 LYS A 74 23.347 -3.262 19.488 1.00 0.00 H new ATOM 0 HD3 LYS A 74 23.929 -1.609 19.498 1.00 0.00 H new ATOM 0 HE2 LYS A 74 21.592 -0.780 19.119 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.007 -2.432 19.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 20.733 -1.434 21.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 21.833 -2.725 21.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.399 -1.125 21.374 1.00 0.00 H new ATOM 1057 N GLY A 75 27.051 -2.310 14.408 1.00 0.00 N ATOM 1058 CA GLY A 75 28.319 -2.649 13.699 1.00 0.00 C ATOM 1059 C GLY A 75 28.213 -3.367 12.325 1.00 0.00 C ATOM 1060 O GLY A 75 29.046 -4.225 12.011 1.00 0.00 O ATOM 0 H GLY A 75 26.682 -1.387 14.177 1.00 0.00 H new ATOM 0 HA2 GLY A 75 28.877 -1.725 13.551 1.00 0.00 H new ATOM 0 HA3 GLY A 75 28.914 -3.278 14.360 1.00 0.00 H new ATOM 1064 N THR A 76 27.264 -2.973 11.459 1.00 0.00 N ATOM 1065 CA THR A 76 27.280 -3.314 10.014 1.00 0.00 C ATOM 1066 C THR A 76 28.325 -2.435 9.260 1.00 0.00 C ATOM 1067 O THR A 76 28.382 -1.214 9.438 1.00 0.00 O ATOM 1068 CB THR A 76 25.836 -3.201 9.432 1.00 0.00 C ATOM 1069 OG1 THR A 76 25.810 -3.699 8.102 1.00 0.00 O ATOM 1070 CG2 THR A 76 25.169 -1.817 9.377 1.00 0.00 C ATOM 0 H THR A 76 26.461 -2.408 11.735 1.00 0.00 H new ATOM 0 HA THR A 76 27.597 -4.347 9.874 1.00 0.00 H new ATOM 0 HB THR A 76 25.263 -3.779 10.158 1.00 0.00 H new ATOM 0 HG1 THR A 76 24.901 -3.627 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 76 24.172 -1.911 8.947 1.00 0.00 H new ATOM 0 HG22 THR A 76 25.093 -1.409 10.385 1.00 0.00 H new ATOM 0 HG23 THR A 76 25.769 -1.148 8.759 1.00 0.00 H new ATOM 1078 N LYS A 77 29.092 -3.038 8.341 1.00 0.00 N ATOM 1079 CA LYS A 77 29.915 -2.285 7.349 1.00 0.00 C ATOM 1080 C LYS A 77 29.131 -1.427 6.273 1.00 0.00 C ATOM 1081 O LYS A 77 29.745 -0.859 5.366 1.00 0.00 O ATOM 1082 CB LYS A 77 30.838 -3.371 6.717 1.00 0.00 C ATOM 1083 CG LYS A 77 32.208 -2.861 6.237 1.00 0.00 C ATOM 1084 CD LYS A 77 33.126 -3.969 5.662 1.00 0.00 C ATOM 1085 CE LYS A 77 33.658 -5.027 6.655 1.00 0.00 C ATOM 1086 NZ LYS A 77 34.561 -4.447 7.671 1.00 0.00 N ATOM 0 H LYS A 77 29.168 -4.051 8.254 1.00 0.00 H new ATOM 0 HA LYS A 77 30.463 -1.490 7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 77 30.998 -4.162 7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 77 30.318 -3.821 5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 77 32.053 -2.099 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 77 32.717 -2.378 7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 77 32.578 -4.488 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 77 33.982 -3.488 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 77 32.816 -5.508 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 77 34.188 -5.804 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 34.890 -5.197 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 35.379 -4.011 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 34.050 -3.724 8.217 1.00 0.00 H new ATOM 1099 N MET A 78 27.789 -1.309 6.380 1.00 0.00 N ATOM 1100 CA MET A 78 26.938 -0.559 5.427 1.00 0.00 C ATOM 1101 C MET A 78 26.859 0.939 5.851 1.00 0.00 C ATOM 1102 O MET A 78 26.147 1.295 6.797 1.00 0.00 O ATOM 1103 CB MET A 78 25.567 -1.297 5.343 1.00 0.00 C ATOM 1104 CG MET A 78 24.502 -0.585 4.482 1.00 0.00 C ATOM 1105 SD MET A 78 23.364 -1.712 3.566 1.00 0.00 S ATOM 1106 CE MET A 78 21.825 -0.820 4.025 1.00 0.00 C ATOM 0 H MET A 78 27.259 -1.737 7.139 1.00 0.00 H new ATOM 0 HA MET A 78 27.354 -0.537 4.420 1.00 0.00 H new ATOM 0 HB2 MET A 78 25.732 -2.296 4.940 1.00 0.00 H new ATOM 0 HB3 MET A 78 25.175 -1.422 6.352 1.00 0.00 H new ATOM 0 HG2 MET A 78 23.908 0.062 5.127 1.00 0.00 H new ATOM 0 HG3 MET A 78 25.008 0.059 3.763 1.00 0.00 H new ATOM 0 HE1 MET A 78 20.967 -1.322 3.579 1.00 0.00 H new ATOM 0 HE2 MET A 78 21.718 -0.814 5.110 1.00 0.00 H new ATOM 0 HE3 MET A 78 21.876 0.206 3.659 1.00 0.00 H new ATOM 1116 N ALA A 79 27.564 1.820 5.115 1.00 0.00 N ATOM 1117 CA ALA A 79 27.516 3.288 5.358 1.00 0.00 C ATOM 1118 C ALA A 79 26.234 3.966 4.763 1.00 0.00 C ATOM 1119 O ALA A 79 26.271 4.698 3.769 1.00 0.00 O ATOM 1120 CB ALA A 79 28.846 3.854 4.825 1.00 0.00 C ATOM 0 H ALA A 79 28.176 1.547 4.346 1.00 0.00 H new ATOM 0 HA ALA A 79 27.423 3.511 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.869 4.933 4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.677 3.395 5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.934 3.635 3.761 1.00 0.00 H new ATOM 1126 N PHE A 80 25.087 3.695 5.407 1.00 0.00 N ATOM 1127 CA PHE A 80 23.752 4.145 4.946 1.00 0.00 C ATOM 1128 C PHE A 80 22.945 4.700 6.163 1.00 0.00 C ATOM 1129 O PHE A 80 22.827 4.054 7.210 1.00 0.00 O ATOM 1130 CB PHE A 80 23.064 2.953 4.224 1.00 0.00 C ATOM 1131 CG PHE A 80 21.716 3.280 3.565 1.00 0.00 C ATOM 1132 CD1 PHE A 80 21.654 4.110 2.440 1.00 0.00 C ATOM 1133 CD2 PHE A 80 20.531 2.771 4.106 1.00 0.00 C ATOM 1134 CE1 PHE A 80 20.424 4.434 1.873 1.00 0.00 C ATOM 1135 CE2 PHE A 80 19.305 3.096 3.541 1.00 0.00 C ATOM 1136 CZ PHE A 80 19.252 3.931 2.431 1.00 0.00 C ATOM 0 H PHE A 80 25.054 3.153 6.270 1.00 0.00 H new ATOM 0 HA PHE A 80 23.819 4.964 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 80 23.741 2.572 3.460 1.00 0.00 H new ATOM 0 HB3 PHE A 80 22.913 2.150 4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 80 22.564 4.501 2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 80 20.570 2.122 4.968 1.00 0.00 H new ATOM 0 HE1 PHE A 80 20.380 5.073 1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 80 18.393 2.700 3.964 1.00 0.00 H new ATOM 0 HZ PHE A 80 18.297 4.191 1.999 1.00 0.00 H new ATOM 1146 N ALA A 81 22.360 5.898 6.004 1.00 0.00 N ATOM 1147 CA ALA A 81 21.567 6.556 7.078 1.00 0.00 C ATOM 1148 C ALA A 81 20.109 6.035 7.295 1.00 0.00 C ATOM 1149 O ALA A 81 19.640 6.050 8.436 1.00 0.00 O ATOM 1150 CB ALA A 81 21.592 8.066 6.771 1.00 0.00 C ATOM 0 H ALA A 81 22.416 6.440 5.142 1.00 0.00 H new ATOM 0 HA ALA A 81 22.034 6.307 8.031 1.00 0.00 H new ATOM 0 HB1 ALA A 81 21.023 8.601 7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 81 22.623 8.421 6.773 1.00 0.00 H new ATOM 0 HB3 ALA A 81 21.148 8.246 5.792 1.00 0.00 H new ATOM 1156 N GLY A 82 19.399 5.609 6.232 1.00 0.00 N ATOM 1157 CA GLY A 82 17.986 5.164 6.348 1.00 0.00 C ATOM 1158 C GLY A 82 16.991 5.686 5.287 1.00 0.00 C ATOM 1159 O GLY A 82 17.012 6.851 4.886 1.00 0.00 O ATOM 0 H GLY A 82 19.774 5.562 5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.972 4.075 6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.618 5.460 7.330 1.00 0.00 H new ATOM 1163 N LEU A 83 16.031 4.824 4.927 1.00 0.00 N ATOM 1164 CA LEU A 83 14.817 5.208 4.158 1.00 0.00 C ATOM 1165 C LEU A 83 13.688 5.818 5.068 1.00 0.00 C ATOM 1166 O LEU A 83 13.426 5.252 6.137 1.00 0.00 O ATOM 1167 CB LEU A 83 14.268 3.955 3.415 1.00 0.00 C ATOM 1168 CG LEU A 83 15.117 3.410 2.238 1.00 0.00 C ATOM 1169 CD1 LEU A 83 14.488 2.137 1.665 1.00 0.00 C ATOM 1170 CD2 LEU A 83 15.238 4.423 1.095 1.00 0.00 C ATOM 0 H LEU A 83 16.066 3.831 5.158 1.00 0.00 H new ATOM 0 HA LEU A 83 15.109 5.983 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 83 14.146 3.154 4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.275 4.194 3.035 1.00 0.00 H new ATOM 0 HG LEU A 83 16.107 3.206 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.098 1.769 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 83 14.434 1.376 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.484 2.358 1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.841 3.997 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 83 14.245 4.662 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.714 5.332 1.463 1.00 0.00 H new ATOM 1182 N PRO A 84 12.965 6.918 4.701 1.00 0.00 N ATOM 1183 CA PRO A 84 11.986 7.572 5.615 1.00 0.00 C ATOM 1184 C PRO A 84 10.568 6.917 5.681 1.00 0.00 C ATOM 1185 O PRO A 84 10.116 6.566 6.775 1.00 0.00 O ATOM 1186 CB PRO A 84 12.015 9.025 5.096 1.00 0.00 C ATOM 1187 CG PRO A 84 12.305 8.918 3.594 1.00 0.00 C ATOM 1188 CD PRO A 84 13.207 7.688 3.462 1.00 0.00 C ATOM 0 HA PRO A 84 12.254 7.475 6.667 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.064 9.526 5.277 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.784 9.608 5.604 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.386 8.799 3.020 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.800 9.815 3.221 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.956 7.104 2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 84 14.255 7.972 3.369 1.00 0.00 H new ATOM 1196 N LYS A 85 9.861 6.745 4.546 1.00 0.00 N ATOM 1197 CA LYS A 85 8.474 6.211 4.528 1.00 0.00 C ATOM 1198 C LYS A 85 8.451 4.653 4.565 1.00 0.00 C ATOM 1199 O LYS A 85 9.335 3.976 4.025 1.00 0.00 O ATOM 1200 CB LYS A 85 7.732 6.716 3.262 1.00 0.00 C ATOM 1201 CG LYS A 85 7.627 8.241 2.999 1.00 0.00 C ATOM 1202 CD LYS A 85 6.812 9.068 4.020 1.00 0.00 C ATOM 1203 CE LYS A 85 7.647 9.630 5.184 1.00 0.00 C ATOM 1204 NZ LYS A 85 6.809 10.469 6.060 1.00 0.00 N ATOM 0 H LYS A 85 10.227 6.969 3.621 1.00 0.00 H new ATOM 0 HA LYS A 85 7.969 6.573 5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.219 6.268 2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.717 6.319 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.637 8.650 2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.185 8.387 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.331 9.896 3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.017 8.442 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.079 8.811 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.478 10.218 4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.387 10.841 6.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.417 11.261 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.031 9.898 6.447 1.00 0.00 H new ATOM 1217 N ILE A 86 7.403 4.069 5.169 1.00 0.00 N ATOM 1218 CA ILE A 86 7.136 2.595 5.072 1.00 0.00 C ATOM 1219 C ILE A 86 6.900 2.063 3.611 1.00 0.00 C ATOM 1220 O ILE A 86 7.381 0.976 3.280 1.00 0.00 O ATOM 1221 CB ILE A 86 6.052 2.159 6.122 1.00 0.00 C ATOM 1222 CG1 ILE A 86 5.978 0.624 6.369 1.00 0.00 C ATOM 1223 CG2 ILE A 86 4.623 2.678 5.816 1.00 0.00 C ATOM 1224 CD1 ILE A 86 7.251 -0.013 6.954 1.00 0.00 C ATOM 0 H ILE A 86 6.721 4.578 5.731 1.00 0.00 H new ATOM 0 HA ILE A 86 8.059 2.084 5.345 1.00 0.00 H new ATOM 0 HB ILE A 86 6.411 2.640 7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.147 0.422 7.045 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.747 0.132 5.424 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.937 2.332 6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.628 3.768 5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.298 2.300 4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.094 -1.083 7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 86 8.086 0.149 6.272 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.476 0.443 7.918 1.00 0.00 H new ATOM 1236 N GLU A 87 6.262 2.862 2.728 1.00 0.00 N ATOM 1237 CA GLU A 87 6.260 2.597 1.262 1.00 0.00 C ATOM 1238 C GLU A 87 7.647 2.641 0.540 1.00 0.00 C ATOM 1239 O GLU A 87 7.822 1.883 -0.411 1.00 0.00 O ATOM 1240 CB GLU A 87 5.187 3.467 0.555 1.00 0.00 C ATOM 1241 CG GLU A 87 5.423 4.999 0.495 1.00 0.00 C ATOM 1242 CD GLU A 87 4.373 5.735 -0.331 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.298 6.113 0.414 1.00 0.00 O ATOM 1244 OE2 GLU A 87 4.485 5.959 -1.532 1.00 0.00 O ATOM 0 H GLU A 87 5.741 3.696 2.999 1.00 0.00 H new ATOM 0 HA GLU A 87 5.990 1.545 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.082 3.104 -0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.234 3.294 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.426 5.400 1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.409 5.192 0.073 1.00 0.00 H new ATOM 1251 N ASP A 88 8.642 3.449 0.974 1.00 0.00 N ATOM 1252 CA ASP A 88 10.014 3.414 0.368 1.00 0.00 C ATOM 1253 C ASP A 88 10.716 2.018 0.475 1.00 0.00 C ATOM 1254 O ASP A 88 11.092 1.437 -0.547 1.00 0.00 O ATOM 1255 CB ASP A 88 10.907 4.548 0.948 1.00 0.00 C ATOM 1256 CG ASP A 88 10.586 5.980 0.531 1.00 0.00 C ATOM 1257 OD1 ASP A 88 10.533 6.134 -0.821 1.00 0.00 O ATOM 1258 OD2 ASP A 88 10.439 6.899 1.330 1.00 0.00 O ATOM 0 H ASP A 88 8.534 4.127 1.729 1.00 0.00 H new ATOM 0 HA ASP A 88 9.878 3.590 -0.699 1.00 0.00 H new ATOM 0 HB2 ASP A 88 10.855 4.495 2.035 1.00 0.00 H new ATOM 0 HB3 ASP A 88 11.940 4.340 0.668 1.00 0.00 H new ATOM 1263 N ARG A 89 10.835 1.465 1.694 1.00 0.00 N ATOM 1264 CA ARG A 89 11.256 0.054 1.906 1.00 0.00 C ATOM 1265 C ARG A 89 10.271 -1.049 1.401 1.00 0.00 C ATOM 1266 O ARG A 89 10.752 -1.976 0.752 1.00 0.00 O ATOM 1267 CB ARG A 89 11.756 -0.168 3.356 1.00 0.00 C ATOM 1268 CG ARG A 89 10.844 0.302 4.518 1.00 0.00 C ATOM 1269 CD ARG A 89 11.402 1.514 5.298 1.00 0.00 C ATOM 1270 NE ARG A 89 10.959 1.409 6.721 1.00 0.00 N ATOM 1271 CZ ARG A 89 10.499 2.389 7.489 1.00 0.00 C ATOM 1272 NH1 ARG A 89 10.203 3.579 7.051 1.00 0.00 N ATOM 1273 NH2 ARG A 89 10.364 2.148 8.760 1.00 0.00 N ATOM 0 H ARG A 89 10.646 1.972 2.559 1.00 0.00 H new ATOM 0 HA ARG A 89 12.102 -0.088 1.233 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.941 -1.234 3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.716 0.337 3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.864 0.560 4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.697 -0.527 5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 89 12.490 1.532 5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.044 2.445 4.858 1.00 0.00 H new ATOM 0 HE ARG A 89 11.016 0.485 7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.321 3.803 6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.853 4.287 7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.609 1.231 9.134 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.013 2.876 9.383 1.00 0.00 H new ATOM 1287 N ALA A 90 8.939 -0.983 1.620 1.00 0.00 N ATOM 1288 CA ALA A 90 7.977 -1.936 0.987 1.00 0.00 C ATOM 1289 C ALA A 90 7.945 -2.005 -0.582 1.00 0.00 C ATOM 1290 O ALA A 90 7.890 -3.107 -1.136 1.00 0.00 O ATOM 1291 CB ALA A 90 6.595 -1.668 1.606 1.00 0.00 C ATOM 0 H ALA A 90 8.500 -0.288 2.224 1.00 0.00 H new ATOM 0 HA ALA A 90 8.337 -2.940 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.863 -2.346 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.641 -1.830 2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.300 -0.638 1.406 1.00 0.00 H new ATOM 1297 N ASN A 91 8.062 -0.868 -1.294 1.00 0.00 N ATOM 1298 CA ASN A 91 8.333 -0.834 -2.765 1.00 0.00 C ATOM 1299 C ASN A 91 9.686 -1.508 -3.185 1.00 0.00 C ATOM 1300 O ASN A 91 9.705 -2.351 -4.086 1.00 0.00 O ATOM 1301 CB ASN A 91 8.266 0.638 -3.276 1.00 0.00 C ATOM 1302 CG ASN A 91 6.904 1.347 -3.257 1.00 0.00 C ATOM 1303 OD1 ASN A 91 5.835 0.753 -3.212 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.886 2.655 -3.327 1.00 0.00 N ATOM 0 H ASN A 91 7.973 0.058 -0.877 1.00 0.00 H new ATOM 0 HA ASN A 91 7.555 -1.433 -3.238 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.959 1.231 -2.679 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.636 0.653 -4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.996 3.153 -3.343 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.762 3.176 -3.366 1.00 0.00 H new ATOM 1311 N LEU A 92 10.804 -1.159 -2.518 1.00 0.00 N ATOM 1312 CA LEU A 92 12.123 -1.835 -2.694 1.00 0.00 C ATOM 1313 C LEU A 92 12.157 -3.367 -2.332 1.00 0.00 C ATOM 1314 O LEU A 92 12.707 -4.165 -3.091 1.00 0.00 O ATOM 1315 CB LEU A 92 13.174 -0.991 -1.912 1.00 0.00 C ATOM 1316 CG LEU A 92 14.584 -0.869 -2.545 1.00 0.00 C ATOM 1317 CD1 LEU A 92 15.449 0.045 -1.672 1.00 0.00 C ATOM 1318 CD2 LEU A 92 15.322 -2.203 -2.711 1.00 0.00 C ATOM 0 H LEU A 92 10.827 -0.399 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 92 12.358 -1.862 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.773 0.014 -1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.284 -1.423 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 92 14.427 -0.465 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 92 16.442 0.135 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.989 1.031 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.532 -0.380 -0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.299 -2.025 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.452 -2.671 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.741 -2.863 -3.355 1.00 0.00 H new ATOM 1330 N ILE A 93 11.533 -3.796 -1.219 1.00 0.00 N ATOM 1331 CA ILE A 93 11.295 -5.238 -0.880 1.00 0.00 C ATOM 1332 C ILE A 93 10.437 -5.995 -1.962 1.00 0.00 C ATOM 1333 O ILE A 93 10.837 -7.085 -2.377 1.00 0.00 O ATOM 1334 CB ILE A 93 10.768 -5.315 0.605 1.00 0.00 C ATOM 1335 CG1 ILE A 93 11.864 -4.917 1.648 1.00 0.00 C ATOM 1336 CG2 ILE A 93 10.173 -6.687 1.010 1.00 0.00 C ATOM 1337 CD1 ILE A 93 11.342 -4.519 3.041 1.00 0.00 C ATOM 0 H ILE A 93 11.171 -3.155 -0.513 1.00 0.00 H new ATOM 0 HA ILE A 93 12.229 -5.798 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 93 9.956 -4.588 0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.552 -5.754 1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.440 -4.084 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.837 -6.646 2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.328 -6.922 0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.935 -7.459 0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.183 -4.262 3.685 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.679 -3.658 2.949 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.794 -5.354 3.476 1.00 0.00 H new ATOM 1349 N ALA A 94 9.323 -5.419 -2.463 1.00 0.00 N ATOM 1350 CA ALA A 94 8.620 -5.930 -3.678 1.00 0.00 C ATOM 1351 C ALA A 94 9.480 -6.051 -4.986 1.00 0.00 C ATOM 1352 O ALA A 94 9.457 -7.100 -5.638 1.00 0.00 O ATOM 1353 CB ALA A 94 7.375 -5.045 -3.877 1.00 0.00 C ATOM 0 H ALA A 94 8.884 -4.597 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 94 8.359 -6.972 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.826 -5.381 -4.757 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.733 -5.118 -2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.684 -4.009 -4.016 1.00 0.00 H new ATOM 1359 N TYR A 95 10.280 -5.020 -5.333 1.00 0.00 N ATOM 1360 CA TYR A 95 11.404 -5.133 -6.312 1.00 0.00 C ATOM 1361 C TYR A 95 12.411 -6.306 -6.041 1.00 0.00 C ATOM 1362 O TYR A 95 12.625 -7.108 -6.945 1.00 0.00 O ATOM 1363 CB TYR A 95 12.049 -3.718 -6.391 1.00 0.00 C ATOM 1364 CG TYR A 95 13.311 -3.591 -7.253 1.00 0.00 C ATOM 1365 CD1 TYR A 95 13.208 -3.415 -8.633 1.00 0.00 C ATOM 1366 CD2 TYR A 95 14.577 -3.700 -6.664 1.00 0.00 C ATOM 1367 CE1 TYR A 95 14.358 -3.345 -9.414 1.00 0.00 C ATOM 1368 CE2 TYR A 95 15.723 -3.653 -7.453 1.00 0.00 C ATOM 1369 CZ TYR A 95 15.613 -3.470 -8.827 1.00 0.00 C ATOM 1370 OH TYR A 95 16.735 -3.462 -9.610 1.00 0.00 O ATOM 0 H TYR A 95 10.172 -4.082 -4.947 1.00 0.00 H new ATOM 0 HA TYR A 95 11.022 -5.431 -7.288 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.302 -3.023 -6.774 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.293 -3.397 -5.378 1.00 0.00 H new ATOM 0 HD1 TYR A 95 12.236 -3.333 -9.096 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.664 -3.821 -5.594 1.00 0.00 H new ATOM 0 HE1 TYR A 95 14.276 -3.193 -10.480 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.697 -3.759 -6.998 1.00 0.00 H new ATOM 0 HH TYR A 95 16.482 -3.603 -10.546 1.00 0.00 H new ATOM 1380 N LEU A 96 12.997 -6.432 -4.839 1.00 0.00 N ATOM 1381 CA LEU A 96 13.917 -7.561 -4.487 1.00 0.00 C ATOM 1382 C LEU A 96 13.295 -9.002 -4.449 1.00 0.00 C ATOM 1383 O LEU A 96 14.007 -9.978 -4.699 1.00 0.00 O ATOM 1384 CB LEU A 96 14.604 -7.221 -3.135 1.00 0.00 C ATOM 1385 CG LEU A 96 15.567 -6.003 -3.111 1.00 0.00 C ATOM 1386 CD1 LEU A 96 15.869 -5.599 -1.659 1.00 0.00 C ATOM 1387 CD2 LEU A 96 16.868 -6.269 -3.887 1.00 0.00 C ATOM 0 H LEU A 96 12.857 -5.767 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 96 14.627 -7.629 -5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 96 13.823 -7.048 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 96 15.163 -8.099 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 96 15.065 -5.178 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 96 16.545 -4.744 -1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 96 14.940 -5.331 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 96 16.336 -6.435 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 96 17.507 -5.387 -3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 96 17.389 -7.118 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 96 16.632 -6.491 -4.928 1.00 0.00 H new ATOM 1399 N GLU A 97 11.987 -9.145 -4.163 1.00 0.00 N ATOM 1400 CA GLU A 97 11.219 -10.397 -4.434 1.00 0.00 C ATOM 1401 C GLU A 97 11.063 -10.745 -5.957 1.00 0.00 C ATOM 1402 O GLU A 97 11.352 -11.880 -6.345 1.00 0.00 O ATOM 1403 CB GLU A 97 9.835 -10.311 -3.725 1.00 0.00 C ATOM 1404 CG GLU A 97 9.881 -10.374 -2.178 1.00 0.00 C ATOM 1405 CD GLU A 97 8.538 -10.141 -1.492 1.00 0.00 C ATOM 1406 OE1 GLU A 97 7.722 -11.232 -1.578 1.00 0.00 O ATOM 1407 OE2 GLU A 97 8.243 -9.096 -0.920 1.00 0.00 O ATOM 0 H GLU A 97 11.426 -8.406 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 97 11.801 -11.222 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.351 -9.380 -4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.208 -11.126 -4.087 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.262 -11.350 -1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.592 -9.630 -1.818 1.00 0.00 H new ATOM 1414 N GLY A 98 10.611 -9.801 -6.808 1.00 0.00 N ATOM 1415 CA GLY A 98 10.512 -10.021 -8.279 1.00 0.00 C ATOM 1416 C GLY A 98 11.831 -10.002 -9.087 1.00 0.00 C ATOM 1417 O GLY A 98 12.143 -10.975 -9.777 1.00 0.00 O ATOM 0 H GLY A 98 10.307 -8.875 -6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.028 -10.984 -8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.852 -9.257 -8.691 1.00 0.00 H new ATOM 1421 N GLN A 99 12.577 -8.889 -9.033 1.00 0.00 N ATOM 1422 CA GLN A 99 13.903 -8.759 -9.693 1.00 0.00 C ATOM 1423 C GLN A 99 15.039 -9.287 -8.765 1.00 0.00 C ATOM 1424 O GLN A 99 15.262 -8.757 -7.670 1.00 0.00 O ATOM 1425 CB GLN A 99 14.112 -7.265 -10.066 1.00 0.00 C ATOM 1426 CG GLN A 99 15.158 -7.055 -11.197 1.00 0.00 C ATOM 1427 CD GLN A 99 15.209 -5.649 -11.796 1.00 0.00 C ATOM 1428 OE1 GLN A 99 16.168 -4.898 -11.638 1.00 0.00 O ATOM 1429 NE2 GLN A 99 14.171 -5.230 -12.483 1.00 0.00 N ATOM 0 H GLN A 99 12.286 -8.049 -8.533 1.00 0.00 H new ATOM 0 HA GLN A 99 13.935 -9.365 -10.598 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.159 -6.839 -10.378 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.431 -6.717 -9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.145 -7.300 -10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.949 -7.764 -11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.369 -5.845 -12.621 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.167 -4.290 -12.879 1.00 0.00 H new ATOM 1438 N GLN A 100 15.731 -10.346 -9.208 1.00 0.00 N ATOM 1439 CA GLN A 100 16.740 -11.047 -8.378 1.00 0.00 C ATOM 1440 C GLN A 100 18.090 -11.064 -9.133 1.00 0.00 C ATOM 1441 O GLN A 100 18.370 -12.004 -9.913 1.00 0.00 O ATOM 1442 CB GLN A 100 16.211 -12.453 -7.977 1.00 0.00 C ATOM 1443 CG GLN A 100 14.957 -12.451 -7.056 1.00 0.00 C ATOM 1444 CD GLN A 100 14.550 -13.819 -6.496 1.00 0.00 C ATOM 1445 OE1 GLN A 100 15.364 -14.663 -6.136 1.00 0.00 O ATOM 1446 NE2 GLN A 100 13.274 -14.074 -6.345 1.00 0.00 N ATOM 1447 OXT GLN A 100 18.900 -10.132 -8.916 1.00 0.00 O ATOM 0 H GLN A 100 15.615 -10.743 -10.140 1.00 0.00 H new ATOM 0 HA GLN A 100 16.916 -10.521 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 100 15.974 -13.007 -8.885 1.00 0.00 H new ATOM 0 HB3 GLN A 100 17.011 -12.995 -7.473 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.142 -11.776 -6.221 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.116 -12.042 -7.616 1.00 0.00 H new ATOM 0 HE21 GLN A 100 12.579 -13.387 -6.637 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.976 -14.959 -5.935 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 23.760 -1.859 1.484 1.00 0.00 FE HETATM 1458 CHA HEC A 101 24.730 -4.760 3.046 1.00 0.00 C HETATM 1459 CHB HEC A 101 20.669 -3.446 1.412 1.00 0.00 C HETATM 1460 CHC HEC A 101 22.498 1.012 0.507 1.00 0.00 C HETATM 1461 CHD HEC A 101 26.688 -0.620 1.327 1.00 0.00 C HETATM 1462 NA HEC A 101 22.896 -3.522 2.213 1.00 0.00 N HETATM 1463 C1A HEC A 101 23.436 -4.592 2.768 1.00 0.00 C HETATM 1464 C2A HEC A 101 22.619 -5.647 3.034 1.00 0.00 C HETATM 1465 C3A HEC A 101 21.436 -5.244 2.607 1.00 0.00 C HETATM 1466 C4A HEC A 101 21.681 -4.023 2.061 1.00 0.00 C HETATM 1467 CMA HEC A 101 20.128 -6.063 2.681 1.00 0.00 C HETATM 1468 CAA HEC A 101 22.887 -7.022 3.685 1.00 0.00 C HETATM 1469 CBA HEC A 101 23.187 -8.166 2.688 1.00 0.00 C HETATM 1470 CGA HEC A 101 23.329 -9.567 3.312 1.00 0.00 C HETATM 1471 O1A HEC A 101 23.629 -9.690 4.524 1.00 0.00 O HETATM 1472 O2A HEC A 101 23.139 -10.560 2.576 1.00 0.00 O HETATM 1473 NB HEC A 101 22.013 -1.395 1.008 1.00 0.00 N HETATM 1474 C1B HEC A 101 20.792 -2.109 0.838 1.00 0.00 C HETATM 1475 C2B HEC A 101 19.767 -1.400 0.219 1.00 0.00 C HETATM 1476 C3B HEC A 101 20.225 -0.105 0.092 1.00 0.00 C HETATM 1477 C4B HEC A 101 21.546 -0.115 0.587 1.00 0.00 C HETATM 1478 CMB HEC A 101 18.436 -1.967 -0.301 1.00 0.00 C HETATM 1479 CAB HEC A 101 19.445 1.092 -0.498 1.00 0.00 C HETATM 1480 CBB HEC A 101 18.193 1.426 0.328 1.00 0.00 C HETATM 1481 NC HEC A 101 24.406 -0.126 1.231 1.00 0.00 N HETATM 1482 C1C HEC A 101 23.812 0.918 0.752 1.00 0.00 C HETATM 1483 C2C HEC A 101 24.638 1.939 0.422 1.00 0.00 C HETATM 1484 C3C HEC A 101 25.868 1.449 0.590 1.00 0.00 C HETATM 1485 C4C HEC A 101 25.653 0.197 1.070 1.00 0.00 C HETATM 1486 CMC HEC A 101 24.338 3.348 -0.117 1.00 0.00 C HETATM 1487 CAC HEC A 101 27.188 2.135 0.132 1.00 0.00 C HETATM 1488 CBC HEC A 101 27.500 3.480 0.810 1.00 0.00 C HETATM 1489 ND HEC A 101 25.358 -2.641 1.897 1.00 0.00 N HETATM 1490 C1D HEC A 101 26.608 -2.004 1.826 1.00 0.00 C HETATM 1491 C2D HEC A 101 27.664 -2.717 2.417 1.00 0.00 C HETATM 1492 C3D HEC A 101 27.112 -3.869 2.933 1.00 0.00 C HETATM 1493 C4D HEC A 101 25.747 -3.795 2.628 1.00 0.00 C HETATM 1494 CMD HEC A 101 29.126 -2.283 2.558 1.00 0.00 C HETATM 1495 CAD HEC A 101 27.813 -4.941 3.800 1.00 0.00 C HETATM 1496 CBD HEC A 101 27.438 -4.828 5.300 1.00 0.00 C HETATM 1497 CGD HEC A 101 28.184 -5.711 6.303 1.00 0.00 C HETATM 1498 O1D HEC A 101 29.264 -6.248 5.982 1.00 0.00 O HETATM 1499 O2D HEC A 101 27.706 -5.838 7.449 1.00 0.00 O HETATM 0 HMD3 HEC A 101 29.552 -2.111 1.569 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 29.178 -1.363 3.140 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 29.691 -3.065 3.065 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 23.812 3.269 -1.069 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 23.716 3.886 0.598 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 25.273 3.889 -0.263 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 18.635 -2.722 -1.062 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 17.886 -2.419 0.524 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 17.842 -1.162 -0.735 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 20.246 -6.989 2.119 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 19.903 -6.297 3.722 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 19.310 -5.482 2.255 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 27.580 -3.790 5.601 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 26.374 -5.044 5.394 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 26.697 4.187 0.603 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 27.586 3.333 1.887 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 28.439 3.874 0.422 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 17.528 0.562 0.346 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 18.486 1.680 1.347 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 17.675 2.273 -0.122 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 22.389 -8.197 1.946 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 24.108 -7.929 2.156 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 27.544 -5.932 3.435 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 28.893 -4.843 3.690 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 23.730 -6.926 4.370 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 22.020 -7.300 4.284 1.00 0.00 H new HETATM 0 HHD HEC A 101 27.686 -0.219 1.149 1.00 0.00 H new HETATM 0 HHC HEC A 101 22.103 1.989 0.229 1.00 0.00 H new HETATM 0 HHB HEC A 101 19.728 -3.985 1.308 1.00 0.00 H new HETATM 0 HHA HEC A 101 25.039 -5.645 3.602 1.00 0.00 H new HETATM 0 H2D HEC A 101 27.093 -5.096 7.632 1.00 0.00 H new HETATM 0 H2A HEC A 101 23.975 -10.797 2.123 1.00 0.00 H new