USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=13 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 1 MET N :NH3+ 179:sc= 0 (180deg=-0.00167) USER MOD Set 1.2: A 91 ASN : amide:sc= 0.813 K(o=0.81,f=-4.6!) USER MOD Set 2.1: A 47 SER OG : rot 26:sc= 0.744 USER MOD Set 2.2: A 50 MET CE :methyl 151:sc= -0.0228 (180deg=-0.177) USER MOD Set 2.3: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: A 101 HEC O2D : rot -128:sc= 0.687 USER MOD Set 3.1: A 46 TYR OH : rot -49:sc= 0.377 USER MOD Set 3.2: A 101 HEC O2A : rot -130:sc= 0.356 USER MOD Set 4.1: A 29 HIS : no HD1:sc= -0.0517 X(o=-0.065,f=0.14) USER MOD Set 4.2: A 31 ASN : amide:sc= -0.0132 X(o=-0.065,f=0.14) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 149:sc= 0.14 (180deg=-0.796) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.398 X(o=0.4,f=0) USER MOD Single : A 37 THR OG1 : rot -19:sc= 0.00575 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc=-0.00418 X(o=-0.0042,f=-0.13) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0.776 K(o=0.78,f=-7!) USER MOD Single : A 67 THR OG1 : rot 65:sc= 1.13 USER MOD Single : A 68 ASN : amide:sc= 0.262 K(o=0.26,f=-3.4!) 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+ -172:sc= 1.04 (180deg=0.99) 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 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 100 GLN : amide:sc= 0.985 K(o=0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.702 -3.575 -1.592 1.00 0.00 N ATOM 2 CA MET A 1 2.613 -2.244 -0.941 1.00 0.00 C ATOM 3 C MET A 1 2.263 -1.135 -1.979 1.00 0.00 C ATOM 4 O MET A 1 3.001 -0.899 -2.940 1.00 0.00 O ATOM 5 CB MET A 1 3.923 -1.915 -0.174 1.00 0.00 C ATOM 6 CG MET A 1 4.141 -2.702 1.133 1.00 0.00 C ATOM 7 SD MET A 1 5.698 -2.195 1.885 1.00 0.00 S ATOM 8 CE MET A 1 5.585 -3.093 3.441 1.00 0.00 C ATOM 0 H1 MET A 1 2.953 -4.293 -0.882 1.00 0.00 H new ATOM 0 H2 MET A 1 1.784 -3.815 -2.018 1.00 0.00 H new ATOM 0 H3 MET A 1 3.432 -3.551 -2.333 1.00 0.00 H new ATOM 0 HA MET A 1 1.803 -2.276 -0.212 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.768 -2.103 -0.836 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.930 -0.850 0.058 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.316 -2.520 1.822 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.155 -3.772 0.928 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.473 -2.895 4.041 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.699 -2.767 3.986 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.514 -4.162 3.240 1.00 0.00 H new ATOM 19 N ALA A 2 1.138 -0.431 -1.750 1.00 0.00 N ATOM 20 CA ALA A 2 0.645 0.678 -2.623 1.00 0.00 C ATOM 21 C ALA A 2 0.289 0.368 -4.122 1.00 0.00 C ATOM 22 O ALA A 2 0.443 1.223 -5.000 1.00 0.00 O ATOM 23 CB ALA A 2 1.530 1.929 -2.405 1.00 0.00 C ATOM 0 H ALA A 2 0.532 -0.609 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.370 0.875 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.175 2.741 -3.039 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.477 2.235 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.563 1.693 -2.662 1.00 0.00 H new ATOM 29 N ASP A 3 -0.289 -0.815 -4.398 1.00 0.00 N ATOM 30 CA ASP A 3 -0.812 -1.188 -5.737 1.00 0.00 C ATOM 31 C ASP A 3 -2.381 -1.048 -5.759 1.00 0.00 C ATOM 32 O ASP A 3 -3.050 -1.870 -5.121 1.00 0.00 O ATOM 33 CB ASP A 3 -0.306 -2.623 -6.044 1.00 0.00 C ATOM 34 CG ASP A 3 -0.636 -3.120 -7.452 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.753 -3.494 -7.799 1.00 0.00 O ATOM 36 OD2 ASP A 3 0.442 -3.088 -8.281 1.00 0.00 O ATOM 0 H ASP A 3 -0.410 -1.547 -3.698 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.451 -0.523 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.775 -2.652 -5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.739 -3.311 -5.318 1.00 0.00 H new ATOM 41 N PRO A 4 -3.016 -0.080 -6.489 1.00 0.00 N ATOM 42 CA PRO A 4 -4.500 0.049 -6.524 1.00 0.00 C ATOM 43 C PRO A 4 -5.327 -1.040 -7.286 1.00 0.00 C ATOM 44 O PRO A 4 -6.480 -1.271 -6.917 1.00 0.00 O ATOM 45 CB PRO A 4 -4.706 1.480 -7.050 1.00 0.00 C ATOM 46 CG PRO A 4 -3.411 1.924 -7.721 1.00 0.00 C ATOM 47 CD PRO A 4 -2.310 0.987 -7.223 1.00 0.00 C ATOM 0 HA PRO A 4 -4.912 -0.133 -5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.533 1.510 -7.759 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.962 2.154 -6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -3.501 1.872 -8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.181 2.959 -7.469 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.734 0.579 -8.054 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.608 1.513 -6.576 1.00 0.00 H new ATOM 55 N ALA A 5 -4.760 -1.740 -8.288 1.00 0.00 N ATOM 56 CA ALA A 5 -5.370 -2.974 -8.863 1.00 0.00 C ATOM 57 C ALA A 5 -5.517 -4.175 -7.866 1.00 0.00 C ATOM 58 O ALA A 5 -6.618 -4.716 -7.727 1.00 0.00 O ATOM 59 CB ALA A 5 -4.564 -3.334 -10.126 1.00 0.00 C ATOM 0 H ALA A 5 -3.876 -1.477 -8.724 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.409 -2.760 -9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.980 -4.234 -10.578 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.618 -2.511 -10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.523 -3.511 -9.855 1.00 0.00 H new ATOM 65 N ALA A 6 -4.457 -4.536 -7.112 1.00 0.00 N ATOM 66 CA ALA A 6 -4.592 -5.370 -5.885 1.00 0.00 C ATOM 67 C ALA A 6 -5.500 -4.782 -4.748 1.00 0.00 C ATOM 68 O ALA A 6 -6.309 -5.517 -4.177 1.00 0.00 O ATOM 69 CB ALA A 6 -3.167 -5.682 -5.396 1.00 0.00 C ATOM 0 H ALA A 6 -3.497 -4.266 -7.326 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.135 -6.276 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.217 -6.294 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.626 -6.223 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.647 -4.750 -5.174 1.00 0.00 H new ATOM 75 N GLY A 7 -5.432 -3.466 -4.468 1.00 0.00 N ATOM 76 CA GLY A 7 -6.443 -2.756 -3.635 1.00 0.00 C ATOM 77 C GLY A 7 -7.943 -2.874 -3.996 1.00 0.00 C ATOM 78 O GLY A 7 -8.765 -2.966 -3.085 1.00 0.00 O ATOM 0 H GLY A 7 -4.683 -2.862 -4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.325 -3.105 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.187 -1.696 -3.642 1.00 0.00 H new ATOM 82 N GLU A 8 -8.301 -2.918 -5.291 1.00 0.00 N ATOM 83 CA GLU A 8 -9.675 -3.275 -5.754 1.00 0.00 C ATOM 84 C GLU A 8 -10.199 -4.679 -5.311 1.00 0.00 C ATOM 85 O GLU A 8 -11.357 -4.773 -4.894 1.00 0.00 O ATOM 86 CB GLU A 8 -9.733 -3.095 -7.296 1.00 0.00 C ATOM 87 CG GLU A 8 -11.155 -3.024 -7.921 1.00 0.00 C ATOM 88 CD GLU A 8 -11.774 -4.344 -8.394 1.00 0.00 C ATOM 89 OE1 GLU A 8 -12.362 -5.053 -7.383 1.00 0.00 O ATOM 90 OE2 GLU A 8 -11.760 -4.702 -9.568 1.00 0.00 O ATOM 0 H GLU A 8 -7.656 -2.709 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.362 -2.593 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.198 -2.182 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.195 -3.922 -7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.826 -2.579 -7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.118 -2.343 -8.772 1.00 0.00 H new ATOM 97 N LYS A 9 -9.391 -5.750 -5.428 1.00 0.00 N ATOM 98 CA LYS A 9 -9.719 -7.078 -4.823 1.00 0.00 C ATOM 99 C LYS A 9 -9.691 -7.140 -3.255 1.00 0.00 C ATOM 100 O LYS A 9 -10.583 -7.761 -2.670 1.00 0.00 O ATOM 101 CB LYS A 9 -8.948 -8.226 -5.526 1.00 0.00 C ATOM 102 CG LYS A 9 -7.412 -8.242 -5.388 1.00 0.00 C ATOM 103 CD LYS A 9 -6.769 -9.500 -6.001 1.00 0.00 C ATOM 104 CE LYS A 9 -5.239 -9.501 -5.864 1.00 0.00 C ATOM 105 NZ LYS A 9 -4.684 -10.742 -6.441 1.00 0.00 N ATOM 0 H LYS A 9 -8.505 -5.733 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.778 -7.234 -5.027 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.330 -9.172 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.190 -8.192 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.999 -7.357 -5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.146 -8.182 -4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.175 -10.387 -5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.037 -9.565 -7.056 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.819 -8.633 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.959 -9.421 -4.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.648 -10.737 -6.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.074 -11.564 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.938 -10.801 -7.448 1.00 0.00 H new ATOM 118 N VAL A 10 -8.755 -6.451 -2.563 1.00 0.00 N ATOM 119 CA VAL A 10 -8.844 -6.208 -1.081 1.00 0.00 C ATOM 120 C VAL A 10 -10.136 -5.411 -0.648 1.00 0.00 C ATOM 121 O VAL A 10 -10.780 -5.798 0.332 1.00 0.00 O ATOM 122 CB VAL A 10 -7.514 -5.589 -0.512 1.00 0.00 C ATOM 123 CG1 VAL A 10 -7.514 -5.441 1.030 1.00 0.00 C ATOM 124 CG2 VAL A 10 -6.234 -6.395 -0.849 1.00 0.00 C ATOM 0 H VAL A 10 -7.924 -6.048 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.958 -7.188 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.491 -4.618 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.567 -5.008 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.334 -4.789 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.641 -6.421 1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.366 -5.896 -0.418 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.318 -7.400 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.117 -6.456 -1.931 1.00 0.00 H new ATOM 134 N PHE A 11 -10.562 -4.364 -1.390 1.00 0.00 N ATOM 135 CA PHE A 11 -11.906 -3.727 -1.225 1.00 0.00 C ATOM 136 C PHE A 11 -13.172 -4.642 -1.447 1.00 0.00 C ATOM 137 O PHE A 11 -14.260 -4.275 -0.997 1.00 0.00 O ATOM 138 CB PHE A 11 -11.923 -2.432 -2.094 1.00 0.00 C ATOM 139 CG PHE A 11 -12.929 -1.357 -1.641 1.00 0.00 C ATOM 140 CD1 PHE A 11 -14.238 -1.351 -2.135 1.00 0.00 C ATOM 141 CD2 PHE A 11 -12.548 -0.390 -0.703 1.00 0.00 C ATOM 142 CE1 PHE A 11 -15.165 -0.423 -1.663 1.00 0.00 C ATOM 143 CE2 PHE A 11 -13.472 0.544 -0.242 1.00 0.00 C ATOM 144 CZ PHE A 11 -14.782 0.521 -0.715 1.00 0.00 C ATOM 0 H PHE A 11 -9.994 -3.932 -2.119 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.017 -3.497 -0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.923 -1.997 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.148 -2.707 -3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -14.532 -2.069 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.533 -0.368 -0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -16.180 -0.437 -2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.173 1.287 0.483 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.501 1.237 -0.345 1.00 0.00 H new ATOM 154 N GLY A 12 -13.045 -5.862 -2.011 1.00 0.00 N ATOM 155 CA GLY A 12 -14.002 -6.978 -1.762 1.00 0.00 C ATOM 156 C GLY A 12 -14.456 -7.278 -0.304 1.00 0.00 C ATOM 157 O GLY A 12 -15.640 -7.536 -0.081 1.00 0.00 O ATOM 0 H GLY A 12 -12.286 -6.107 -2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.898 -6.779 -2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.555 -7.889 -2.160 1.00 0.00 H new ATOM 161 N LYS A 13 -13.546 -7.182 0.683 1.00 0.00 N ATOM 162 CA LYS A 13 -13.922 -7.137 2.133 1.00 0.00 C ATOM 163 C LYS A 13 -14.649 -5.840 2.658 1.00 0.00 C ATOM 164 O LYS A 13 -15.170 -5.863 3.774 1.00 0.00 O ATOM 165 CB LYS A 13 -12.645 -7.442 2.972 1.00 0.00 C ATOM 166 CG LYS A 13 -12.147 -8.910 2.920 1.00 0.00 C ATOM 167 CD LYS A 13 -10.856 -9.199 3.718 1.00 0.00 C ATOM 168 CE LYS A 13 -11.009 -9.113 5.248 1.00 0.00 C ATOM 169 NZ LYS A 13 -9.751 -9.505 5.918 1.00 0.00 N ATOM 0 H LYS A 13 -12.541 -7.133 0.516 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.696 -7.895 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.841 -6.792 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.843 -7.180 4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.939 -9.558 3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.979 -9.182 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.501 -10.196 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.086 -8.494 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.280 -8.097 5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.820 -9.764 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.657 -8.983 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.765 -10.527 6.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.945 -9.281 5.301 1.00 0.00 H new ATOM 182 N CYS A 14 -14.698 -4.738 1.890 1.00 0.00 N ATOM 183 CA CYS A 14 -15.453 -3.499 2.239 1.00 0.00 C ATOM 184 C CYS A 14 -16.801 -3.293 1.462 1.00 0.00 C ATOM 185 O CYS A 14 -17.774 -2.814 2.053 1.00 0.00 O ATOM 186 CB CYS A 14 -14.521 -2.285 2.012 1.00 0.00 C ATOM 187 SG CYS A 14 -12.794 -2.568 2.487 1.00 0.00 S ATOM 0 H CYS A 14 -14.212 -4.671 0.996 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.750 -3.601 3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.555 -2.008 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.906 -1.436 2.577 1.00 0.00 H new ATOM 192 N LYS A 15 -16.854 -3.613 0.148 1.00 0.00 N ATOM 193 CA LYS A 15 -17.991 -3.270 -0.761 1.00 0.00 C ATOM 194 C LYS A 15 -19.443 -3.735 -0.404 1.00 0.00 C ATOM 195 O LYS A 15 -20.401 -3.050 -0.769 1.00 0.00 O ATOM 196 CB LYS A 15 -17.587 -3.635 -2.217 1.00 0.00 C ATOM 197 CG LYS A 15 -17.557 -5.138 -2.587 1.00 0.00 C ATOM 198 CD LYS A 15 -17.051 -5.379 -4.026 1.00 0.00 C ATOM 199 CE LYS A 15 -17.109 -6.846 -4.491 1.00 0.00 C ATOM 200 NZ LYS A 15 -18.489 -7.275 -4.794 1.00 0.00 N ATOM 0 H LYS A 15 -16.105 -4.121 -0.323 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.122 -2.197 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.278 -3.134 -2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.597 -3.220 -2.407 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.915 -5.670 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.558 -5.556 -2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.642 -4.771 -4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.021 -5.030 -4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.488 -6.970 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.691 -7.489 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.484 -8.268 -5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.077 -7.181 -3.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.880 -6.679 -5.551 1.00 0.00 H new ATOM 213 N ALA A 16 -19.612 -4.859 0.320 1.00 0.00 N ATOM 214 CA ALA A 16 -20.917 -5.237 0.932 1.00 0.00 C ATOM 215 C ALA A 16 -21.548 -4.217 1.943 1.00 0.00 C ATOM 216 O ALA A 16 -22.768 -4.038 1.936 1.00 0.00 O ATOM 217 CB ALA A 16 -20.706 -6.625 1.569 1.00 0.00 C ATOM 0 H ALA A 16 -18.863 -5.528 0.500 1.00 0.00 H new ATOM 0 HA ALA A 16 -21.665 -5.241 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -21.634 -6.956 2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -20.413 -7.338 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -19.922 -6.564 2.324 1.00 0.00 H new ATOM 223 N CYS A 17 -20.735 -3.550 2.786 1.00 0.00 N ATOM 224 CA CYS A 17 -21.200 -2.426 3.640 1.00 0.00 C ATOM 225 C CYS A 17 -21.027 -0.987 3.031 1.00 0.00 C ATOM 226 O CYS A 17 -21.903 -0.141 3.237 1.00 0.00 O ATOM 227 CB CYS A 17 -20.466 -2.542 4.991 1.00 0.00 C ATOM 228 SG CYS A 17 -20.611 -4.193 5.749 1.00 0.00 S ATOM 0 H CYS A 17 -19.745 -3.768 2.898 1.00 0.00 H new ATOM 0 HA CYS A 17 -22.280 -2.527 3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -19.411 -2.308 4.845 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -20.866 -1.797 5.679 1.00 0.00 H new ATOM 233 N HIS A 18 -19.898 -0.690 2.353 1.00 0.00 N ATOM 234 CA HIS A 18 -19.501 0.681 1.939 1.00 0.00 C ATOM 235 C HIS A 18 -19.501 0.830 0.389 1.00 0.00 C ATOM 236 O HIS A 18 -18.885 0.047 -0.341 1.00 0.00 O ATOM 237 CB HIS A 18 -18.067 0.963 2.457 1.00 0.00 C ATOM 238 CG HIS A 18 -17.960 1.244 3.947 1.00 0.00 C ATOM 239 ND1 HIS A 18 -18.007 2.505 4.481 1.00 0.00 N ATOM 240 CD2 HIS A 18 -17.520 0.339 4.910 1.00 0.00 C ATOM 241 CE1 HIS A 18 -17.480 2.285 5.710 1.00 0.00 C ATOM 242 NE2 HIS A 18 -17.235 0.982 6.121 1.00 0.00 N ATOM 0 H HIS A 18 -19.225 -1.403 2.072 1.00 0.00 H new ATOM 0 HA HIS A 18 -20.220 1.386 2.357 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -17.437 0.106 2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -17.663 1.816 1.913 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -18.346 3.373 4.066 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -17.412 -0.723 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -17.253 3.115 6.363 1.00 0.00 H new ATOM 250 N LYS A 19 -20.136 1.900 -0.099 1.00 0.00 N ATOM 251 CA LYS A 19 -20.291 2.154 -1.558 1.00 0.00 C ATOM 252 C LYS A 19 -19.466 3.406 -1.973 1.00 0.00 C ATOM 253 O LYS A 19 -19.737 4.526 -1.530 1.00 0.00 O ATOM 254 CB LYS A 19 -21.791 2.338 -1.912 1.00 0.00 C ATOM 255 CG LYS A 19 -22.764 1.177 -1.581 1.00 0.00 C ATOM 256 CD LYS A 19 -22.589 -0.061 -2.478 1.00 0.00 C ATOM 257 CE LYS A 19 -23.408 -1.283 -2.034 1.00 0.00 C ATOM 258 NZ LYS A 19 -24.856 -1.111 -2.277 1.00 0.00 N ATOM 0 H LYS A 19 -20.559 2.617 0.491 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.912 1.295 -2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.149 3.230 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.860 2.537 -2.981 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.622 0.883 -0.541 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -23.788 1.538 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -22.872 0.200 -3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.534 -0.334 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -23.056 -2.166 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -23.240 -1.463 -0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -25.364 -1.961 -1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.201 -0.285 -1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -25.023 -0.966 -3.293 1.00 0.00 H new ATOM 271 N LEU A 20 -18.488 3.227 -2.874 1.00 0.00 N ATOM 272 CA LEU A 20 -17.720 4.362 -3.474 1.00 0.00 C ATOM 273 C LEU A 20 -18.539 5.344 -4.379 1.00 0.00 C ATOM 274 O LEU A 20 -18.252 6.543 -4.372 1.00 0.00 O ATOM 275 CB LEU A 20 -16.493 3.783 -4.234 1.00 0.00 C ATOM 276 CG LEU A 20 -15.409 3.086 -3.367 1.00 0.00 C ATOM 277 CD1 LEU A 20 -14.502 2.216 -4.246 1.00 0.00 C ATOM 278 CD2 LEU A 20 -14.554 4.088 -2.574 1.00 0.00 C ATOM 0 H LEU A 20 -18.199 2.309 -3.213 1.00 0.00 H new ATOM 0 HA LEU A 20 -17.411 4.993 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -16.855 3.065 -4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -16.019 4.595 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.936 2.461 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.747 1.734 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.101 1.455 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.012 2.840 -4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -13.813 3.548 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.048 4.762 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.195 4.666 -1.908 1.00 0.00 H new ATOM 290 N ASP A 21 -19.574 4.886 -5.111 1.00 0.00 N ATOM 291 CA ASP A 21 -20.453 5.786 -5.919 1.00 0.00 C ATOM 292 C ASP A 21 -21.568 6.490 -5.061 1.00 0.00 C ATOM 293 O ASP A 21 -22.767 6.316 -5.296 1.00 0.00 O ATOM 294 CB ASP A 21 -21.014 4.973 -7.120 1.00 0.00 C ATOM 295 CG ASP A 21 -19.986 4.561 -8.175 1.00 0.00 C ATOM 296 OD1 ASP A 21 -19.615 5.291 -9.087 1.00 0.00 O ATOM 297 OD2 ASP A 21 -19.525 3.293 -7.985 1.00 0.00 O ATOM 0 H ASP A 21 -19.830 3.900 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.862 6.617 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -21.494 4.073 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -21.790 5.565 -7.606 1.00 0.00 H new ATOM 302 N GLY A 22 -21.156 7.307 -4.070 1.00 0.00 N ATOM 303 CA GLY A 22 -22.072 8.181 -3.277 1.00 0.00 C ATOM 304 C GLY A 22 -23.305 7.602 -2.534 1.00 0.00 C ATOM 305 O GLY A 22 -24.309 8.307 -2.421 1.00 0.00 O ATOM 0 H GLY A 22 -20.179 7.386 -3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -21.460 8.685 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -22.443 8.949 -3.956 1.00 0.00 H new ATOM 309 N ASN A 23 -23.238 6.363 -2.018 1.00 0.00 N ATOM 310 CA ASN A 23 -24.381 5.714 -1.314 1.00 0.00 C ATOM 311 C ASN A 23 -23.983 5.335 0.149 1.00 0.00 C ATOM 312 O ASN A 23 -23.221 4.393 0.387 1.00 0.00 O ATOM 313 CB ASN A 23 -24.873 4.484 -2.132 1.00 0.00 C ATOM 314 CG ASN A 23 -25.827 4.796 -3.290 1.00 0.00 C ATOM 315 OD1 ASN A 23 -27.042 4.732 -3.150 1.00 0.00 O ATOM 316 ND2 ASN A 23 -25.343 5.128 -4.461 1.00 0.00 N ATOM 0 H ASN A 23 -22.403 5.780 -2.071 1.00 0.00 H new ATOM 0 HA ASN A 23 -25.211 6.417 -1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -24.002 3.965 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -25.371 3.793 -1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -25.975 5.328 -5.236 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -24.334 5.187 -4.598 1.00 0.00 H new ATOM 323 N ASP A 24 -24.534 6.055 1.140 1.00 0.00 N ATOM 324 CA ASP A 24 -24.405 5.689 2.579 1.00 0.00 C ATOM 325 C ASP A 24 -25.580 4.786 3.052 1.00 0.00 C ATOM 326 O ASP A 24 -26.744 5.198 2.984 1.00 0.00 O ATOM 327 CB ASP A 24 -24.254 6.947 3.468 1.00 0.00 C ATOM 328 CG ASP A 24 -25.228 8.130 3.342 1.00 0.00 C ATOM 329 OD1 ASP A 24 -26.537 7.743 3.253 1.00 0.00 O ATOM 330 OD2 ASP A 24 -24.852 9.299 3.336 1.00 0.00 O ATOM 0 H ASP A 24 -25.079 6.902 0.979 1.00 0.00 H new ATOM 0 HA ASP A 24 -23.492 5.103 2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -24.292 6.611 4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -23.252 7.340 3.297 1.00 0.00 H new ATOM 335 N GLY A 25 -25.255 3.591 3.554 1.00 0.00 N ATOM 336 CA GLY A 25 -26.280 2.574 3.924 1.00 0.00 C ATOM 337 C GLY A 25 -25.967 1.843 5.234 1.00 0.00 C ATOM 338 O GLY A 25 -26.306 2.326 6.315 1.00 0.00 O ATOM 0 H GLY A 25 -24.294 3.291 3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.250 3.062 4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.363 1.843 3.120 1.00 0.00 H new ATOM 342 N VAL A 26 -25.297 0.688 5.129 1.00 0.00 N ATOM 343 CA VAL A 26 -24.687 -0.003 6.314 1.00 0.00 C ATOM 344 C VAL A 26 -23.415 0.772 6.804 1.00 0.00 C ATOM 345 O VAL A 26 -23.383 1.192 7.962 1.00 0.00 O ATOM 346 CB VAL A 26 -24.432 -1.530 6.049 1.00 0.00 C ATOM 347 CG1 VAL A 26 -23.829 -2.278 7.263 1.00 0.00 C ATOM 348 CG2 VAL A 26 -25.691 -2.321 5.620 1.00 0.00 C ATOM 0 H VAL A 26 -25.154 0.199 4.245 1.00 0.00 H new ATOM 0 HA VAL A 26 -25.406 0.019 7.133 1.00 0.00 H new ATOM 0 HB VAL A 26 -23.718 -1.503 5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -23.680 -3.327 7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -22.871 -1.830 7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -24.510 -2.205 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -25.426 -3.366 5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -26.446 -2.255 6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -26.088 -1.900 4.697 1.00 0.00 H new ATOM 358 N GLY A 27 -22.405 0.983 5.939 1.00 0.00 N ATOM 359 CA GLY A 27 -21.340 1.983 6.185 1.00 0.00 C ATOM 360 C GLY A 27 -21.472 3.313 5.373 1.00 0.00 C ATOM 361 O GLY A 27 -22.162 3.345 4.345 1.00 0.00 O ATOM 0 H GLY A 27 -22.301 0.475 5.061 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -21.330 2.225 7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -20.377 1.529 5.952 1.00 0.00 H new ATOM 365 N PRO A 28 -20.790 4.429 5.762 1.00 0.00 N ATOM 366 CA PRO A 28 -20.747 5.684 4.956 1.00 0.00 C ATOM 367 C PRO A 28 -19.886 5.604 3.652 1.00 0.00 C ATOM 368 O PRO A 28 -18.838 4.955 3.619 1.00 0.00 O ATOM 369 CB PRO A 28 -20.148 6.672 5.978 1.00 0.00 C ATOM 370 CG PRO A 28 -19.261 5.815 6.877 1.00 0.00 C ATOM 371 CD PRO A 28 -20.063 4.535 7.042 1.00 0.00 C ATOM 0 HA PRO A 28 -21.725 5.955 4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.571 7.453 5.482 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -20.930 7.169 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -18.290 5.625 6.420 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.073 6.299 7.836 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -19.417 3.673 7.211 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -20.746 4.593 7.890 1.00 0.00 H new ATOM 379 N HIS A 29 -20.287 6.307 2.583 1.00 0.00 N ATOM 380 CA HIS A 29 -19.570 6.277 1.273 1.00 0.00 C ATOM 381 C HIS A 29 -18.067 6.727 1.310 1.00 0.00 C ATOM 382 O HIS A 29 -17.746 7.869 1.662 1.00 0.00 O ATOM 383 CB HIS A 29 -20.408 7.017 0.194 1.00 0.00 C ATOM 384 CG HIS A 29 -20.923 8.433 0.471 1.00 0.00 C ATOM 385 ND1 HIS A 29 -22.244 8.698 0.797 1.00 0.00 N ATOM 386 CD2 HIS A 29 -20.193 9.624 0.353 1.00 0.00 C ATOM 387 CE1 HIS A 29 -22.195 10.066 0.827 1.00 0.00 C ATOM 388 NE2 HIS A 29 -21.013 10.713 0.584 1.00 0.00 N ATOM 0 H HIS A 29 -21.109 6.911 2.588 1.00 0.00 H new ATOM 0 HA HIS A 29 -19.487 5.226 0.996 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -19.805 7.062 -0.713 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -21.274 6.394 -0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -19.141 9.683 0.116 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -23.088 10.634 1.042 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -20.799 11.710 0.576 1.00 0.00 H new ATOM 396 N LEU A 30 -17.140 5.810 0.970 1.00 0.00 N ATOM 397 CA LEU A 30 -15.665 6.036 1.154 1.00 0.00 C ATOM 398 C LEU A 30 -14.893 6.805 0.018 1.00 0.00 C ATOM 399 O LEU A 30 -13.658 6.791 0.005 1.00 0.00 O ATOM 400 CB LEU A 30 -14.985 4.668 1.472 1.00 0.00 C ATOM 401 CG LEU A 30 -15.389 3.929 2.774 1.00 0.00 C ATOM 402 CD1 LEU A 30 -14.652 2.584 2.872 1.00 0.00 C ATOM 403 CD2 LEU A 30 -15.133 4.743 4.056 1.00 0.00 C ATOM 0 H LEU A 30 -17.371 4.902 0.566 1.00 0.00 H new ATOM 0 HA LEU A 30 -15.594 6.736 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.181 3.997 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.908 4.832 1.504 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.466 3.775 2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.944 2.075 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.912 1.963 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.576 2.758 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.441 4.160 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.071 4.976 4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.706 5.669 4.019 1.00 0.00 H new ATOM 415 N ASN A 31 -15.581 7.527 -0.887 1.00 0.00 N ATOM 416 CA ASN A 31 -14.942 8.318 -1.979 1.00 0.00 C ATOM 417 C ASN A 31 -14.059 9.507 -1.472 1.00 0.00 C ATOM 418 O ASN A 31 -14.534 10.458 -0.841 1.00 0.00 O ATOM 419 CB ASN A 31 -16.016 8.735 -3.022 1.00 0.00 C ATOM 420 CG ASN A 31 -17.248 9.539 -2.558 1.00 0.00 C ATOM 421 OD1 ASN A 31 -17.345 10.048 -1.446 1.00 0.00 O ATOM 422 ND2 ASN A 31 -18.253 9.656 -3.390 1.00 0.00 N ATOM 0 H ASN A 31 -16.599 7.584 -0.889 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.221 7.671 -2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.514 9.320 -3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.380 7.825 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.093 10.162 -3.108 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.196 9.241 -4.320 1.00 0.00 H new ATOM 429 N GLY A 32 -12.739 9.373 -1.663 1.00 0.00 N ATOM 430 CA GLY A 32 -11.740 10.286 -1.051 1.00 0.00 C ATOM 431 C GLY A 32 -11.638 10.325 0.488 1.00 0.00 C ATOM 432 O GLY A 32 -11.433 11.401 1.049 1.00 0.00 O ATOM 0 H GLY A 32 -12.328 8.639 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.759 10.018 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.956 11.297 -1.397 1.00 0.00 H new ATOM 436 N VAL A 33 -11.730 9.167 1.166 1.00 0.00 N ATOM 437 CA VAL A 33 -11.550 9.090 2.654 1.00 0.00 C ATOM 438 C VAL A 33 -10.090 9.339 3.199 1.00 0.00 C ATOM 439 O VAL A 33 -9.946 9.750 4.353 1.00 0.00 O ATOM 440 CB VAL A 33 -12.267 7.820 3.229 1.00 0.00 C ATOM 441 CG1 VAL A 33 -11.509 6.504 2.973 1.00 0.00 C ATOM 442 CG2 VAL A 33 -12.578 7.924 4.741 1.00 0.00 C ATOM 0 H VAL A 33 -11.926 8.269 0.724 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.057 9.965 3.061 1.00 0.00 H new ATOM 0 HB VAL A 33 -13.204 7.791 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.069 5.672 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.397 6.352 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.524 6.555 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.074 7.012 5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.649 8.055 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.231 8.778 4.920 1.00 0.00 H new ATOM 452 N VAL A 34 -9.024 9.138 2.397 1.00 0.00 N ATOM 453 CA VAL A 34 -7.608 9.419 2.799 1.00 0.00 C ATOM 454 C VAL A 34 -7.386 10.970 2.930 1.00 0.00 C ATOM 455 O VAL A 34 -7.420 11.702 1.937 1.00 0.00 O ATOM 456 CB VAL A 34 -6.599 8.726 1.813 1.00 0.00 C ATOM 457 CG1 VAL A 34 -5.120 8.920 2.224 1.00 0.00 C ATOM 458 CG2 VAL A 34 -6.803 7.199 1.654 1.00 0.00 C ATOM 0 H VAL A 34 -9.109 8.775 1.447 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.413 8.986 3.780 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.817 9.227 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.473 8.418 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.884 9.984 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.959 8.494 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.064 6.804 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.684 6.713 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.805 7.004 1.271 1.00 0.00 H new ATOM 468 N GLY A 35 -7.212 11.457 4.171 1.00 0.00 N ATOM 469 CA GLY A 35 -7.315 12.912 4.491 1.00 0.00 C ATOM 470 C GLY A 35 -8.684 13.495 4.947 1.00 0.00 C ATOM 471 O GLY A 35 -8.735 14.685 5.258 1.00 0.00 O ATOM 0 H GLY A 35 -6.998 10.871 4.978 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.589 13.127 5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.001 13.465 3.606 1.00 0.00 H new ATOM 475 N ARG A 36 -9.773 12.709 4.993 1.00 0.00 N ATOM 476 CA ARG A 36 -11.148 13.213 5.281 1.00 0.00 C ATOM 477 C ARG A 36 -11.534 13.047 6.787 1.00 0.00 C ATOM 478 O ARG A 36 -11.042 12.152 7.479 1.00 0.00 O ATOM 479 CB ARG A 36 -12.098 12.432 4.328 1.00 0.00 C ATOM 480 CG ARG A 36 -13.494 13.054 4.064 1.00 0.00 C ATOM 481 CD ARG A 36 -14.341 12.280 3.027 1.00 0.00 C ATOM 482 NE ARG A 36 -14.940 11.058 3.630 1.00 0.00 N ATOM 483 CZ ARG A 36 -15.693 10.169 2.982 1.00 0.00 C ATOM 484 NH1 ARG A 36 -15.904 10.174 1.691 1.00 0.00 N ATOM 485 NH2 ARG A 36 -16.260 9.225 3.669 1.00 0.00 N ATOM 0 H ARG A 36 -9.736 11.702 4.833 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.220 14.286 5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.593 12.312 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.244 11.433 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.043 13.101 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.364 14.080 3.719 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.132 12.925 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.717 12.002 2.178 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.760 10.887 4.619 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.478 10.894 1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.494 9.458 1.268 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.124 9.177 4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.842 8.531 3.199 1.00 0.00 H new ATOM 499 N THR A 37 -12.440 13.900 7.294 1.00 0.00 N ATOM 500 CA THR A 37 -12.778 13.981 8.750 1.00 0.00 C ATOM 501 C THR A 37 -13.290 12.640 9.390 1.00 0.00 C ATOM 502 O THR A 37 -14.051 11.882 8.777 1.00 0.00 O ATOM 503 CB THR A 37 -13.781 15.167 8.935 1.00 0.00 C ATOM 504 OG1 THR A 37 -13.233 16.373 8.408 1.00 0.00 O ATOM 505 CG2 THR A 37 -14.145 15.512 10.389 1.00 0.00 C ATOM 0 H THR A 37 -12.965 14.558 6.718 1.00 0.00 H new ATOM 0 HA THR A 37 -11.858 14.166 9.305 1.00 0.00 H new ATOM 0 HB THR A 37 -14.673 14.814 8.418 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.260 16.284 8.332 1.00 0.00 H new ATOM 0 HG21 THR A 37 -14.845 16.347 10.400 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.606 14.646 10.864 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.242 15.788 10.934 1.00 0.00 H new ATOM 513 N VAL A 38 -12.882 12.374 10.648 1.00 0.00 N ATOM 514 CA VAL A 38 -13.431 11.248 11.466 1.00 0.00 C ATOM 515 C VAL A 38 -14.900 11.597 11.899 1.00 0.00 C ATOM 516 O VAL A 38 -15.142 12.627 12.535 1.00 0.00 O ATOM 517 CB VAL A 38 -12.492 10.899 12.674 1.00 0.00 C ATOM 518 CG1 VAL A 38 -13.007 9.683 13.478 1.00 0.00 C ATOM 519 CG2 VAL A 38 -11.029 10.564 12.290 1.00 0.00 C ATOM 0 H VAL A 38 -12.170 12.922 11.131 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.467 10.340 10.864 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.507 11.818 13.260 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.326 9.478 14.304 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.000 9.901 13.872 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.059 8.811 12.826 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.459 10.337 13.191 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.016 9.700 11.625 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.581 11.419 11.783 1.00 0.00 H new ATOM 529 N ALA A 39 -15.873 10.768 11.469 1.00 0.00 N ATOM 530 CA ALA A 39 -17.298 11.183 11.300 1.00 0.00 C ATOM 531 C ALA A 39 -17.527 12.231 10.152 1.00 0.00 C ATOM 532 O ALA A 39 -17.997 13.349 10.382 1.00 0.00 O ATOM 533 CB ALA A 39 -17.995 11.509 12.641 1.00 0.00 C ATOM 0 H ALA A 39 -15.703 9.792 11.227 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.823 10.301 10.933 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.027 11.804 12.452 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -17.981 10.628 13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.469 12.326 13.135 1.00 0.00 H new ATOM 539 N GLY A 40 -17.203 11.844 8.903 1.00 0.00 N ATOM 540 CA GLY A 40 -17.222 12.769 7.735 1.00 0.00 C ATOM 541 C GLY A 40 -18.081 12.317 6.538 1.00 0.00 C ATOM 542 O GLY A 40 -17.578 12.222 5.417 1.00 0.00 O ATOM 0 H GLY A 40 -16.922 10.892 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.583 13.741 8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.198 12.911 7.390 1.00 0.00 H new ATOM 546 N VAL A 41 -19.380 12.092 6.783 1.00 0.00 N ATOM 547 CA VAL A 41 -20.430 12.038 5.718 1.00 0.00 C ATOM 548 C VAL A 41 -21.700 12.727 6.315 1.00 0.00 C ATOM 549 O VAL A 41 -22.347 12.182 7.216 1.00 0.00 O ATOM 550 CB VAL A 41 -20.723 10.588 5.176 1.00 0.00 C ATOM 551 CG1 VAL A 41 -21.985 10.487 4.286 1.00 0.00 C ATOM 552 CG2 VAL A 41 -19.566 10.023 4.324 1.00 0.00 C ATOM 0 H VAL A 41 -19.748 11.940 7.722 1.00 0.00 H new ATOM 0 HA VAL A 41 -20.078 12.563 4.830 1.00 0.00 H new ATOM 0 HB VAL A 41 -20.863 10.015 6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -22.115 9.457 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -22.859 10.797 4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -21.871 11.136 3.418 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.824 9.022 3.978 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -19.397 10.672 3.465 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.659 9.976 4.927 1.00 0.00 H new ATOM 562 N ASP A 42 -22.106 13.882 5.753 1.00 0.00 N ATOM 563 CA ASP A 42 -23.421 14.514 6.070 1.00 0.00 C ATOM 564 C ASP A 42 -24.572 13.744 5.341 1.00 0.00 C ATOM 565 O ASP A 42 -24.720 13.822 4.117 1.00 0.00 O ATOM 566 CB ASP A 42 -23.393 16.017 5.683 1.00 0.00 C ATOM 567 CG ASP A 42 -22.451 16.885 6.517 1.00 0.00 C ATOM 568 OD1 ASP A 42 -22.992 17.231 7.718 1.00 0.00 O ATOM 569 OD2 ASP A 42 -21.331 17.224 6.150 1.00 0.00 O ATOM 0 H ASP A 42 -21.549 14.404 5.076 1.00 0.00 H new ATOM 0 HA ASP A 42 -23.610 14.453 7.142 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -23.106 16.101 4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -24.403 16.417 5.770 1.00 0.00 H new ATOM 574 N GLY A 43 -25.320 12.932 6.102 1.00 0.00 N ATOM 575 CA GLY A 43 -26.122 11.818 5.525 1.00 0.00 C ATOM 576 C GLY A 43 -26.149 10.530 6.379 1.00 0.00 C ATOM 577 O GLY A 43 -27.225 9.973 6.603 1.00 0.00 O ATOM 0 H GLY A 43 -25.393 13.017 7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -27.146 12.163 5.380 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -25.725 11.576 4.539 1.00 0.00 H new ATOM 581 N PHE A 44 -24.981 10.045 6.840 1.00 0.00 N ATOM 582 CA PHE A 44 -24.898 8.848 7.718 1.00 0.00 C ATOM 583 C PHE A 44 -25.034 9.222 9.233 1.00 0.00 C ATOM 584 O PHE A 44 -24.347 10.117 9.738 1.00 0.00 O ATOM 585 CB PHE A 44 -23.561 8.119 7.397 1.00 0.00 C ATOM 586 CG PHE A 44 -23.429 6.728 8.047 1.00 0.00 C ATOM 587 CD1 PHE A 44 -24.034 5.608 7.466 1.00 0.00 C ATOM 588 CD2 PHE A 44 -22.774 6.591 9.275 1.00 0.00 C ATOM 589 CE1 PHE A 44 -23.993 4.376 8.111 1.00 0.00 C ATOM 590 CE2 PHE A 44 -22.744 5.360 9.925 1.00 0.00 C ATOM 591 CZ PHE A 44 -23.352 4.253 9.341 1.00 0.00 C ATOM 0 H PHE A 44 -24.075 10.461 6.622 1.00 0.00 H new ATOM 0 HA PHE A 44 -25.734 8.177 7.519 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -23.468 8.013 6.316 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -22.731 8.743 7.729 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -24.535 5.700 6.513 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -22.288 7.446 9.722 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -24.459 3.514 7.657 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -22.250 5.265 10.881 1.00 0.00 H new ATOM 0 HZ PHE A 44 -23.327 3.297 9.843 1.00 0.00 H new ATOM 601 N ASN A 45 -25.877 8.475 9.970 1.00 0.00 N ATOM 602 CA ASN A 45 -25.988 8.606 11.449 1.00 0.00 C ATOM 603 C ASN A 45 -24.843 7.820 12.174 1.00 0.00 C ATOM 604 O ASN A 45 -24.938 6.610 12.400 1.00 0.00 O ATOM 605 CB ASN A 45 -27.418 8.146 11.845 1.00 0.00 C ATOM 606 CG ASN A 45 -27.788 8.403 13.310 1.00 0.00 C ATOM 607 OD1 ASN A 45 -27.581 9.480 13.859 1.00 0.00 O ATOM 608 ND2 ASN A 45 -28.367 7.443 13.986 1.00 0.00 N ATOM 0 H ASN A 45 -26.497 7.770 9.571 1.00 0.00 H new ATOM 0 HA ASN A 45 -25.854 9.639 11.770 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -28.139 8.656 11.207 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -27.512 7.079 11.642 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -28.640 7.596 14.957 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -28.545 6.542 13.542 1.00 0.00 H new ATOM 615 N TYR A 46 -23.762 8.528 12.535 1.00 0.00 N ATOM 616 CA TYR A 46 -22.562 7.917 13.169 1.00 0.00 C ATOM 617 C TYR A 46 -22.742 7.530 14.674 1.00 0.00 C ATOM 618 O TYR A 46 -23.547 8.103 15.415 1.00 0.00 O ATOM 619 CB TYR A 46 -21.369 8.908 12.999 1.00 0.00 C ATOM 620 CG TYR A 46 -20.739 8.955 11.600 1.00 0.00 C ATOM 621 CD1 TYR A 46 -19.759 8.024 11.242 1.00 0.00 C ATOM 622 CD2 TYR A 46 -21.131 9.929 10.676 1.00 0.00 C ATOM 623 CE1 TYR A 46 -19.172 8.073 9.980 1.00 0.00 C ATOM 624 CE2 TYR A 46 -20.551 9.968 9.412 1.00 0.00 C ATOM 625 CZ TYR A 46 -19.566 9.047 9.065 1.00 0.00 C ATOM 626 OH TYR A 46 -18.947 9.136 7.847 1.00 0.00 O ATOM 0 H TYR A 46 -23.685 9.536 12.401 1.00 0.00 H new ATOM 0 HA TYR A 46 -22.376 6.970 12.662 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -21.713 9.910 13.257 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -20.594 8.642 13.718 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -19.456 7.264 11.947 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -21.886 10.653 10.944 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -18.411 7.356 9.710 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -20.866 10.715 8.698 1.00 0.00 H new ATOM 0 HH TYR A 46 -17.975 9.133 7.973 1.00 0.00 H new ATOM 636 N SER A 47 -21.902 6.589 15.141 1.00 0.00 N ATOM 637 CA SER A 47 -21.731 6.292 16.587 1.00 0.00 C ATOM 638 C SER A 47 -21.048 7.454 17.373 1.00 0.00 C ATOM 639 O SER A 47 -20.024 7.978 16.919 1.00 0.00 O ATOM 640 CB SER A 47 -20.870 5.008 16.691 1.00 0.00 C ATOM 641 OG SER A 47 -19.528 5.225 16.248 1.00 0.00 O ATOM 0 H SER A 47 -21.321 6.011 14.534 1.00 0.00 H new ATOM 0 HA SER A 47 -22.715 6.162 17.038 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.859 4.662 17.724 1.00 0.00 H new ATOM 0 HB3 SER A 47 -21.325 4.217 16.095 1.00 0.00 H new ATOM 0 HG SER A 47 -19.299 6.172 16.351 1.00 0.00 H new ATOM 647 N ASP A 48 -21.559 7.799 18.568 1.00 0.00 N ATOM 648 CA ASP A 48 -20.972 8.878 19.424 1.00 0.00 C ATOM 649 C ASP A 48 -19.424 8.809 19.710 1.00 0.00 C ATOM 650 O ASP A 48 -18.798 9.860 19.545 1.00 0.00 O ATOM 651 CB ASP A 48 -21.817 9.069 20.711 1.00 0.00 C ATOM 652 CG ASP A 48 -23.217 9.637 20.471 1.00 0.00 C ATOM 653 OD1 ASP A 48 -23.229 10.998 20.454 1.00 0.00 O ATOM 654 OD2 ASP A 48 -24.211 8.942 20.291 1.00 0.00 O ATOM 0 H ASP A 48 -22.380 7.352 18.975 1.00 0.00 H new ATOM 0 HA ASP A 48 -21.036 9.776 18.809 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.910 8.107 21.216 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.280 9.733 21.388 1.00 0.00 H new ATOM 659 N PRO A 49 -18.738 7.667 20.026 1.00 0.00 N ATOM 660 CA PRO A 49 -17.245 7.588 20.016 1.00 0.00 C ATOM 661 C PRO A 49 -16.463 7.919 18.705 1.00 0.00 C ATOM 662 O PRO A 49 -15.332 8.398 18.789 1.00 0.00 O ATOM 663 CB PRO A 49 -16.986 6.152 20.506 1.00 0.00 C ATOM 664 CG PRO A 49 -18.247 5.770 21.281 1.00 0.00 C ATOM 665 CD PRO A 49 -19.375 6.421 20.489 1.00 0.00 C ATOM 0 HA PRO A 49 -16.848 8.392 20.635 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -16.815 5.474 19.670 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -16.102 6.104 21.141 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.370 4.688 21.336 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -18.213 6.139 22.306 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -19.704 5.797 19.658 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -20.251 6.615 21.109 1.00 0.00 H new ATOM 673 N MET A 50 -17.055 7.704 17.515 1.00 0.00 N ATOM 674 CA MET A 50 -16.548 8.302 16.241 1.00 0.00 C ATOM 675 C MET A 50 -16.714 9.860 16.144 1.00 0.00 C ATOM 676 O MET A 50 -15.769 10.549 15.751 1.00 0.00 O ATOM 677 CB MET A 50 -17.223 7.548 15.063 1.00 0.00 C ATOM 678 CG MET A 50 -16.589 7.788 13.679 1.00 0.00 C ATOM 679 SD MET A 50 -14.976 6.995 13.546 1.00 0.00 S ATOM 680 CE MET A 50 -15.451 5.328 13.056 1.00 0.00 C ATOM 0 H MET A 50 -17.885 7.123 17.397 1.00 0.00 H new ATOM 0 HA MET A 50 -15.467 8.170 16.202 1.00 0.00 H new ATOM 0 HB2 MET A 50 -17.198 6.479 15.275 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.272 7.840 15.020 1.00 0.00 H new ATOM 0 HG2 MET A 50 -17.250 7.403 12.903 1.00 0.00 H new ATOM 0 HG3 MET A 50 -16.485 8.859 13.506 1.00 0.00 H new ATOM 0 HE1 MET A 50 -14.655 4.884 12.458 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.618 4.721 13.946 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.368 5.369 12.467 1.00 0.00 H new ATOM 690 N LYS A 51 -17.885 10.412 16.518 1.00 0.00 N ATOM 691 CA LYS A 51 -18.112 11.890 16.592 1.00 0.00 C ATOM 692 C LYS A 51 -17.258 12.632 17.677 1.00 0.00 C ATOM 693 O LYS A 51 -16.652 13.662 17.372 1.00 0.00 O ATOM 694 CB LYS A 51 -19.634 12.170 16.757 1.00 0.00 C ATOM 695 CG LYS A 51 -20.515 11.764 15.549 1.00 0.00 C ATOM 696 CD LYS A 51 -22.028 12.023 15.711 1.00 0.00 C ATOM 697 CE LYS A 51 -22.709 11.125 16.757 1.00 0.00 C ATOM 698 NZ LYS A 51 -24.178 11.221 16.655 1.00 0.00 N ATOM 0 H LYS A 51 -18.702 9.860 16.778 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.758 12.310 15.650 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.991 11.640 17.640 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.773 13.235 16.946 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.164 12.303 14.669 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.365 10.702 15.353 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.180 13.066 15.989 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -22.516 11.876 14.748 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.397 10.091 16.613 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.390 11.418 17.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -24.617 10.607 17.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.474 12.205 16.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.481 10.919 15.707 1.00 0.00 H new ATOM 711 N ALA A 52 -17.160 12.098 18.910 1.00 0.00 N ATOM 712 CA ALA A 52 -16.199 12.583 19.939 1.00 0.00 C ATOM 713 C ALA A 52 -14.682 12.190 19.788 1.00 0.00 C ATOM 714 O ALA A 52 -13.898 12.479 20.697 1.00 0.00 O ATOM 715 CB ALA A 52 -16.789 12.087 21.276 1.00 0.00 C ATOM 0 H ALA A 52 -17.739 11.321 19.227 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.122 13.666 19.843 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.144 12.400 22.097 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.783 12.511 21.415 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.857 10.999 21.262 1.00 0.00 H new ATOM 721 N HIS A 53 -14.239 11.593 18.662 1.00 0.00 N ATOM 722 CA HIS A 53 -12.803 11.277 18.407 1.00 0.00 C ATOM 723 C HIS A 53 -11.927 12.539 18.091 1.00 0.00 C ATOM 724 O HIS A 53 -10.954 12.791 18.807 1.00 0.00 O ATOM 725 CB HIS A 53 -12.759 10.177 17.307 1.00 0.00 C ATOM 726 CG HIS A 53 -11.420 9.457 17.155 1.00 0.00 C ATOM 727 ND1 HIS A 53 -10.428 9.855 16.269 1.00 0.00 N ATOM 728 CD2 HIS A 53 -11.048 8.278 17.823 1.00 0.00 C ATOM 729 CE1 HIS A 53 -9.519 8.854 16.494 1.00 0.00 C ATOM 730 NE2 HIS A 53 -9.801 7.859 17.397 1.00 0.00 N ATOM 0 H HIS A 53 -14.858 11.314 17.901 1.00 0.00 H new ATOM 0 HA HIS A 53 -12.340 10.895 19.317 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -13.528 9.436 17.527 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -13.018 10.632 16.351 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.650 7.772 18.563 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.580 8.848 15.960 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.250 7.046 17.674 1.00 0.00 H new ATOM 738 N GLY A 54 -12.262 13.318 17.041 1.00 0.00 N ATOM 739 CA GLY A 54 -11.515 14.554 16.687 1.00 0.00 C ATOM 740 C GLY A 54 -10.248 14.331 15.844 1.00 0.00 C ATOM 741 O GLY A 54 -9.147 14.195 16.382 1.00 0.00 O ATOM 0 H GLY A 54 -13.045 13.116 16.420 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.183 15.220 16.141 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.235 15.067 17.607 1.00 0.00 H new ATOM 745 N GLY A 55 -10.412 14.328 14.520 1.00 0.00 N ATOM 746 CA GLY A 55 -9.275 14.143 13.587 1.00 0.00 C ATOM 747 C GLY A 55 -9.646 13.991 12.096 1.00 0.00 C ATOM 748 O GLY A 55 -10.795 14.154 11.674 1.00 0.00 O ATOM 0 H GLY A 55 -11.314 14.450 14.061 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.603 14.995 13.690 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.717 13.259 13.895 1.00 0.00 H new ATOM 752 N ASP A 56 -8.624 13.646 11.303 1.00 0.00 N ATOM 753 CA ASP A 56 -8.782 13.290 9.862 1.00 0.00 C ATOM 754 C ASP A 56 -8.128 11.903 9.571 1.00 0.00 C ATOM 755 O ASP A 56 -7.156 11.483 10.213 1.00 0.00 O ATOM 756 CB ASP A 56 -8.164 14.384 8.951 1.00 0.00 C ATOM 757 CG ASP A 56 -8.881 15.733 8.968 1.00 0.00 C ATOM 758 OD1 ASP A 56 -9.970 15.750 8.153 1.00 0.00 O ATOM 759 OD2 ASP A 56 -8.519 16.692 9.641 1.00 0.00 O ATOM 0 H ASP A 56 -7.659 13.602 11.629 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.847 13.227 9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.127 14.539 9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.148 14.013 7.926 1.00 0.00 H new ATOM 764 N TRP A 57 -8.653 11.198 8.557 1.00 0.00 N ATOM 765 CA TRP A 57 -8.223 9.814 8.220 1.00 0.00 C ATOM 766 C TRP A 57 -6.914 9.762 7.370 1.00 0.00 C ATOM 767 O TRP A 57 -6.917 9.504 6.164 1.00 0.00 O ATOM 768 CB TRP A 57 -9.423 9.075 7.560 1.00 0.00 C ATOM 769 CG TRP A 57 -10.484 8.514 8.515 1.00 0.00 C ATOM 770 CD1 TRP A 57 -11.848 8.864 8.515 1.00 0.00 C ATOM 771 CD2 TRP A 57 -10.333 7.600 9.549 1.00 0.00 C ATOM 772 NE1 TRP A 57 -12.557 8.182 9.520 1.00 0.00 N ATOM 773 CE2 TRP A 57 -11.598 7.422 10.160 1.00 0.00 C ATOM 774 CE3 TRP A 57 -9.183 6.960 10.086 1.00 0.00 C ATOM 775 CZ2 TRP A 57 -11.719 6.644 11.333 1.00 0.00 C ATOM 776 CZ3 TRP A 57 -9.325 6.201 11.245 1.00 0.00 C ATOM 777 CH2 TRP A 57 -10.571 6.060 11.869 1.00 0.00 C ATOM 0 H TRP A 57 -9.384 11.560 7.945 1.00 0.00 H new ATOM 0 HA TRP A 57 -7.949 9.292 9.137 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -9.912 9.764 6.872 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -9.031 8.252 6.962 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.294 9.568 7.829 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -13.554 8.236 9.729 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.221 7.060 9.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.680 6.504 11.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -8.460 5.713 11.670 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.644 5.488 12.782 1.00 0.00 H new ATOM 788 N THR A 58 -5.776 9.964 8.046 1.00 0.00 N ATOM 789 CA THR A 58 -4.414 9.833 7.446 1.00 0.00 C ATOM 790 C THR A 58 -4.028 8.347 7.089 1.00 0.00 C ATOM 791 O THR A 58 -4.590 7.429 7.700 1.00 0.00 O ATOM 792 CB THR A 58 -3.363 10.479 8.413 1.00 0.00 C ATOM 793 OG1 THR A 58 -3.362 9.853 9.691 1.00 0.00 O ATOM 794 CG2 THR A 58 -3.531 11.991 8.647 1.00 0.00 C ATOM 0 H THR A 58 -5.759 10.225 9.032 1.00 0.00 H new ATOM 0 HA THR A 58 -4.419 10.365 6.495 1.00 0.00 H new ATOM 0 HB THR A 58 -2.420 10.321 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.693 10.282 10.265 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.757 12.342 9.329 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.443 12.518 7.697 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.512 12.185 9.081 1.00 0.00 H new ATOM 802 N PRO A 59 -3.075 8.030 6.155 1.00 0.00 N ATOM 803 CA PRO A 59 -2.627 6.622 5.896 1.00 0.00 C ATOM 804 C PRO A 59 -2.190 5.760 7.127 1.00 0.00 C ATOM 805 O PRO A 59 -2.664 4.634 7.301 1.00 0.00 O ATOM 806 CB PRO A 59 -1.515 6.816 4.844 1.00 0.00 C ATOM 807 CG PRO A 59 -1.082 8.279 4.933 1.00 0.00 C ATOM 808 CD PRO A 59 -2.354 9.024 5.331 1.00 0.00 C ATOM 0 HA PRO A 59 -3.465 6.008 5.565 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.675 6.150 5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.881 6.580 3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.293 8.416 5.672 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.692 8.637 3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -2.132 9.931 5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.936 9.324 4.460 1.00 0.00 H new ATOM 816 N GLU A 60 -1.349 6.334 8.000 1.00 0.00 N ATOM 817 CA GLU A 60 -1.080 5.802 9.369 1.00 0.00 C ATOM 818 C GLU A 60 -2.329 5.528 10.286 1.00 0.00 C ATOM 819 O GLU A 60 -2.473 4.407 10.781 1.00 0.00 O ATOM 820 CB GLU A 60 0.049 6.632 10.041 1.00 0.00 C ATOM 821 CG GLU A 60 -0.285 8.099 10.406 1.00 0.00 C ATOM 822 CD GLU A 60 0.891 8.872 10.995 1.00 0.00 C ATOM 823 OE1 GLU A 60 1.644 9.478 10.036 1.00 0.00 O ATOM 824 OE2 GLU A 60 1.130 8.942 12.195 1.00 0.00 O ATOM 0 H GLU A 60 -0.828 7.185 7.787 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.727 4.780 9.229 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.353 6.116 10.952 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.911 6.636 9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.635 8.615 9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.107 8.107 11.121 1.00 0.00 H new ATOM 831 N ALA A 61 -3.244 6.503 10.467 1.00 0.00 N ATOM 832 CA ALA A 61 -4.531 6.288 11.188 1.00 0.00 C ATOM 833 C ALA A 61 -5.518 5.258 10.545 1.00 0.00 C ATOM 834 O ALA A 61 -6.046 4.404 11.264 1.00 0.00 O ATOM 835 CB ALA A 61 -5.184 7.670 11.378 1.00 0.00 C ATOM 0 H ALA A 61 -3.120 7.456 10.124 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.295 5.815 12.141 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.132 7.555 11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.521 8.309 11.961 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.362 8.125 10.404 1.00 0.00 H new ATOM 841 N LEU A 62 -5.729 5.293 9.213 1.00 0.00 N ATOM 842 CA LEU A 62 -6.448 4.219 8.470 1.00 0.00 C ATOM 843 C LEU A 62 -5.819 2.795 8.588 1.00 0.00 C ATOM 844 O LEU A 62 -6.558 1.864 8.905 1.00 0.00 O ATOM 845 CB LEU A 62 -6.614 4.624 6.975 1.00 0.00 C ATOM 846 CG LEU A 62 -7.674 5.709 6.666 1.00 0.00 C ATOM 847 CD1 LEU A 62 -7.496 6.237 5.235 1.00 0.00 C ATOM 848 CD2 LEU A 62 -9.114 5.185 6.828 1.00 0.00 C ATOM 0 H LEU A 62 -5.411 6.058 8.619 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.422 4.134 8.952 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.650 4.975 6.608 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.866 3.729 6.405 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.520 6.511 7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.248 6.999 5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.502 6.671 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.611 5.416 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.820 5.984 6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.277 4.351 6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.266 4.849 7.854 1.00 0.00 H new ATOM 860 N GLN A 63 -4.500 2.591 8.381 1.00 0.00 N ATOM 861 CA GLN A 63 -3.858 1.260 8.608 1.00 0.00 C ATOM 862 C GLN A 63 -3.889 0.718 10.087 1.00 0.00 C ATOM 863 O GLN A 63 -4.086 -0.483 10.294 1.00 0.00 O ATOM 864 CB GLN A 63 -2.484 1.200 7.876 1.00 0.00 C ATOM 865 CG GLN A 63 -1.231 1.732 8.617 1.00 0.00 C ATOM 866 CD GLN A 63 -0.580 0.764 9.619 1.00 0.00 C ATOM 867 OE1 GLN A 63 -0.617 -0.458 9.487 1.00 0.00 O ATOM 868 NE2 GLN A 63 0.052 1.277 10.646 1.00 0.00 N ATOM 0 H GLN A 63 -3.858 3.316 8.061 1.00 0.00 H new ATOM 0 HA GLN A 63 -4.497 0.511 8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.295 0.160 7.609 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.580 1.757 6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.484 2.011 7.873 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.507 2.643 9.148 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.090 2.289 10.768 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.505 0.664 11.324 1.00 0.00 H new ATOM 877 N GLU A 64 -3.762 1.587 11.110 1.00 0.00 N ATOM 878 CA GLU A 64 -4.110 1.244 12.522 1.00 0.00 C ATOM 879 C GLU A 64 -5.615 0.852 12.735 1.00 0.00 C ATOM 880 O GLU A 64 -5.890 -0.247 13.228 1.00 0.00 O ATOM 881 CB GLU A 64 -3.670 2.409 13.455 1.00 0.00 C ATOM 882 CG GLU A 64 -2.141 2.612 13.598 1.00 0.00 C ATOM 883 CD GLU A 64 -1.768 3.800 14.482 1.00 0.00 C ATOM 884 OE1 GLU A 64 -1.614 3.725 15.696 1.00 0.00 O ATOM 885 OE2 GLU A 64 -1.620 4.953 13.772 1.00 0.00 O ATOM 0 H GLU A 64 -3.419 2.541 10.993 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.560 0.340 12.782 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.108 3.335 13.082 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.089 2.235 14.446 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.699 1.706 14.013 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.707 2.754 12.608 1.00 0.00 H new ATOM 892 N PHE A 65 -6.582 1.707 12.336 1.00 0.00 N ATOM 893 CA PHE A 65 -8.035 1.376 12.354 1.00 0.00 C ATOM 894 C PHE A 65 -8.467 0.120 11.527 1.00 0.00 C ATOM 895 O PHE A 65 -9.251 -0.682 12.025 1.00 0.00 O ATOM 896 CB PHE A 65 -8.764 2.679 11.928 1.00 0.00 C ATOM 897 CG PHE A 65 -10.302 2.622 11.934 1.00 0.00 C ATOM 898 CD1 PHE A 65 -11.018 2.704 13.134 1.00 0.00 C ATOM 899 CD2 PHE A 65 -10.996 2.480 10.729 1.00 0.00 C ATOM 900 CE1 PHE A 65 -12.410 2.638 13.126 1.00 0.00 C ATOM 901 CE2 PHE A 65 -12.385 2.414 10.727 1.00 0.00 C ATOM 902 CZ PHE A 65 -13.093 2.489 11.922 1.00 0.00 C ATOM 0 H PHE A 65 -6.384 2.646 11.992 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.317 1.058 13.357 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.447 3.483 12.592 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.434 2.946 10.924 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -10.490 2.819 14.069 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.452 2.421 9.798 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.959 2.702 14.054 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -12.917 2.304 9.793 1.00 0.00 H new ATOM 0 HZ PHE A 65 -14.171 2.432 11.916 1.00 0.00 H new ATOM 912 N LEU A 66 -7.964 -0.091 10.303 1.00 0.00 N ATOM 913 CA LEU A 66 -8.183 -1.365 9.557 1.00 0.00 C ATOM 914 C LEU A 66 -7.375 -2.609 10.071 1.00 0.00 C ATOM 915 O LEU A 66 -7.709 -3.726 9.676 1.00 0.00 O ATOM 916 CB LEU A 66 -7.953 -1.112 8.040 1.00 0.00 C ATOM 917 CG LEU A 66 -8.819 -0.018 7.352 1.00 0.00 C ATOM 918 CD1 LEU A 66 -8.386 0.161 5.888 1.00 0.00 C ATOM 919 CD2 LEU A 66 -10.326 -0.305 7.433 1.00 0.00 C ATOM 0 H LEU A 66 -7.402 0.595 9.798 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.218 -1.651 9.747 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.905 -0.849 7.899 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.119 -2.052 7.514 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.648 0.909 7.900 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.000 0.929 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.339 0.461 5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.512 -0.781 5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.876 0.494 6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.542 -1.254 6.943 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.631 -0.358 8.478 1.00 0.00 H new ATOM 931 N THR A 67 -6.379 -2.462 10.970 1.00 0.00 N ATOM 932 CA THR A 67 -5.849 -3.594 11.792 1.00 0.00 C ATOM 933 C THR A 67 -6.860 -4.035 12.911 1.00 0.00 C ATOM 934 O THR A 67 -7.239 -5.207 12.937 1.00 0.00 O ATOM 935 CB THR A 67 -4.428 -3.266 12.353 1.00 0.00 C ATOM 936 OG1 THR A 67 -3.559 -2.771 11.339 1.00 0.00 O ATOM 937 CG2 THR A 67 -3.706 -4.492 12.937 1.00 0.00 C ATOM 0 H THR A 67 -5.918 -1.571 11.153 1.00 0.00 H new ATOM 0 HA THR A 67 -5.738 -4.457 11.136 1.00 0.00 H new ATOM 0 HB THR A 67 -4.619 -2.525 13.129 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.896 -1.912 11.010 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.726 -4.194 13.309 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.295 -4.905 13.756 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.585 -5.247 12.160 1.00 0.00 H new ATOM 945 N ASN A 68 -7.297 -3.127 13.815 1.00 0.00 N ATOM 946 CA ASN A 68 -8.405 -3.406 14.773 1.00 0.00 C ATOM 947 C ASN A 68 -9.291 -2.114 14.931 1.00 0.00 C ATOM 948 O ASN A 68 -8.863 -1.194 15.644 1.00 0.00 O ATOM 949 CB ASN A 68 -7.828 -3.926 16.120 1.00 0.00 C ATOM 950 CG ASN A 68 -8.870 -4.440 17.130 1.00 0.00 C ATOM 951 OD1 ASN A 68 -9.972 -3.920 17.281 1.00 0.00 O ATOM 952 ND2 ASN A 68 -8.550 -5.458 17.889 1.00 0.00 N ATOM 0 H ASN A 68 -6.901 -2.191 13.905 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.052 -4.196 14.393 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.125 -4.731 15.908 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.260 -3.122 16.587 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.210 -5.802 18.586 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -7.640 -5.907 17.783 1.00 0.00 H new ATOM 959 N PRO A 69 -10.523 -1.999 14.346 1.00 0.00 N ATOM 960 CA PRO A 69 -11.353 -0.768 14.489 1.00 0.00 C ATOM 961 C PRO A 69 -12.031 -0.520 15.873 1.00 0.00 C ATOM 962 O PRO A 69 -12.143 0.636 16.292 1.00 0.00 O ATOM 963 CB PRO A 69 -12.325 -0.861 13.300 1.00 0.00 C ATOM 964 CG PRO A 69 -12.350 -2.320 12.852 1.00 0.00 C ATOM 965 CD PRO A 69 -11.052 -2.955 13.352 1.00 0.00 C ATOM 0 HA PRO A 69 -10.727 0.124 14.467 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.322 -0.531 13.591 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.000 -0.214 12.485 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.217 -2.836 13.264 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -12.422 -2.390 11.767 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.236 -3.931 13.801 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.346 -3.108 12.536 1.00 0.00 H new ATOM 973 N LYS A 70 -12.431 -1.587 16.587 1.00 0.00 N ATOM 974 CA LYS A 70 -12.908 -1.510 17.998 1.00 0.00 C ATOM 975 C LYS A 70 -11.862 -1.040 19.065 1.00 0.00 C ATOM 976 O LYS A 70 -12.234 -0.359 20.023 1.00 0.00 O ATOM 977 CB LYS A 70 -13.548 -2.865 18.418 1.00 0.00 C ATOM 978 CG LYS A 70 -14.808 -3.350 17.653 1.00 0.00 C ATOM 979 CD LYS A 70 -14.511 -4.209 16.401 1.00 0.00 C ATOM 980 CE LYS A 70 -15.750 -4.867 15.769 1.00 0.00 C ATOM 981 NZ LYS A 70 -16.230 -6.026 16.545 1.00 0.00 N ATOM 0 H LYS A 70 -12.436 -2.534 16.209 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.649 -0.710 17.992 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.784 -3.637 18.324 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -13.806 -2.798 19.475 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.431 -3.929 18.335 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.391 -2.480 17.350 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.027 -3.582 15.652 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.799 -4.989 16.672 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -16.549 -4.130 15.691 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.511 -5.187 14.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.065 -6.434 16.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.479 -6.743 16.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.485 -5.719 17.505 1.00 0.00 H new ATOM 994 N ALA A 71 -10.577 -1.385 18.904 1.00 0.00 N ATOM 995 CA ALA A 71 -9.468 -0.786 19.695 1.00 0.00 C ATOM 996 C ALA A 71 -9.146 0.717 19.390 1.00 0.00 C ATOM 997 O ALA A 71 -8.986 1.499 20.331 1.00 0.00 O ATOM 998 CB ALA A 71 -8.240 -1.697 19.508 1.00 0.00 C ATOM 0 H ALA A 71 -10.267 -2.083 18.228 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.784 -0.743 20.737 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.399 -1.295 20.073 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.472 -2.699 19.868 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.978 -1.743 18.451 1.00 0.00 H new ATOM 1004 N VAL A 72 -9.051 1.128 18.108 1.00 0.00 N ATOM 1005 CA VAL A 72 -8.746 2.545 17.721 1.00 0.00 C ATOM 1006 C VAL A 72 -9.940 3.536 17.963 1.00 0.00 C ATOM 1007 O VAL A 72 -9.716 4.603 18.545 1.00 0.00 O ATOM 1008 CB VAL A 72 -8.141 2.591 16.271 1.00 0.00 C ATOM 1009 CG1 VAL A 72 -7.880 4.018 15.726 1.00 0.00 C ATOM 1010 CG2 VAL A 72 -6.799 1.829 16.159 1.00 0.00 C ATOM 0 H VAL A 72 -9.180 0.504 17.311 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.979 2.922 18.398 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.919 2.114 15.675 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.463 3.953 14.721 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.818 4.573 15.695 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.175 4.533 16.379 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.428 1.894 15.136 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.071 2.273 16.838 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.952 0.783 16.424 1.00 0.00 H new ATOM 1020 N VAL A 73 -11.175 3.221 17.525 1.00 0.00 N ATOM 1021 CA VAL A 73 -12.387 4.016 17.890 1.00 0.00 C ATOM 1022 C VAL A 73 -13.202 3.143 18.901 1.00 0.00 C ATOM 1023 O VAL A 73 -13.941 2.231 18.510 1.00 0.00 O ATOM 1024 CB VAL A 73 -13.189 4.466 16.622 1.00 0.00 C ATOM 1025 CG1 VAL A 73 -14.440 5.299 16.982 1.00 0.00 C ATOM 1026 CG2 VAL A 73 -12.369 5.315 15.619 1.00 0.00 C ATOM 0 H VAL A 73 -11.370 2.425 16.918 1.00 0.00 H new ATOM 0 HA VAL A 73 -12.126 4.960 18.369 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.463 3.520 16.155 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.961 5.586 16.069 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.106 4.704 17.608 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.137 6.195 17.524 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.998 5.585 14.771 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -12.017 6.221 16.112 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -11.514 4.738 15.267 1.00 0.00 H new ATOM 1036 N LYS A 74 -13.050 3.423 20.210 1.00 0.00 N ATOM 1037 CA LYS A 74 -13.594 2.553 21.289 1.00 0.00 C ATOM 1038 C LYS A 74 -15.138 2.719 21.473 1.00 0.00 C ATOM 1039 O LYS A 74 -15.618 3.703 22.042 1.00 0.00 O ATOM 1040 CB LYS A 74 -12.760 2.822 22.571 1.00 0.00 C ATOM 1041 CG LYS A 74 -12.984 1.794 23.704 1.00 0.00 C ATOM 1042 CD LYS A 74 -12.102 2.075 24.939 1.00 0.00 C ATOM 1043 CE LYS A 74 -12.299 1.089 26.105 1.00 0.00 C ATOM 1044 NZ LYS A 74 -11.718 -0.238 25.816 1.00 0.00 N ATOM 0 H LYS A 74 -12.555 4.246 20.554 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.491 1.501 21.023 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.702 2.830 22.307 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.002 3.817 22.946 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.033 1.807 24.000 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.771 0.793 23.329 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.056 2.053 24.634 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.309 3.084 25.295 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.840 1.497 27.005 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.364 0.981 26.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.874 -0.869 26.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.174 -0.640 24.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.697 -0.140 25.645 1.00 0.00 H new ATOM 1057 N GLY A 75 -15.899 1.746 20.951 1.00 0.00 N ATOM 1058 CA GLY A 75 -17.371 1.882 20.762 1.00 0.00 C ATOM 1059 C GLY A 75 -17.877 2.359 19.374 1.00 0.00 C ATOM 1060 O GLY A 75 -18.909 3.029 19.302 1.00 0.00 O ATOM 0 H GLY A 75 -15.527 0.846 20.647 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.827 0.915 20.971 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.743 2.579 21.513 1.00 0.00 H new ATOM 1064 N THR A 76 -17.209 1.960 18.279 1.00 0.00 N ATOM 1065 CA THR A 76 -17.726 2.134 16.890 1.00 0.00 C ATOM 1066 C THR A 76 -18.821 1.082 16.505 1.00 0.00 C ATOM 1067 O THR A 76 -18.721 -0.100 16.850 1.00 0.00 O ATOM 1068 CB THR A 76 -16.529 2.150 15.883 1.00 0.00 C ATOM 1069 OG1 THR A 76 -16.992 2.469 14.577 1.00 0.00 O ATOM 1070 CG2 THR A 76 -15.697 0.861 15.733 1.00 0.00 C ATOM 0 H THR A 76 -16.296 1.507 18.320 1.00 0.00 H new ATOM 0 HA THR A 76 -18.236 3.096 16.839 1.00 0.00 H new ATOM 0 HB THR A 76 -15.869 2.895 16.328 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.235 2.478 13.955 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.904 1.022 15.002 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.256 0.599 16.695 1.00 0.00 H new ATOM 0 HG23 THR A 76 -16.341 0.049 15.396 1.00 0.00 H new ATOM 1078 N LYS A 77 -19.821 1.494 15.702 1.00 0.00 N ATOM 1079 CA LYS A 77 -20.748 0.532 15.020 1.00 0.00 C ATOM 1080 C LYS A 77 -20.150 -0.346 13.856 1.00 0.00 C ATOM 1081 O LYS A 77 -20.873 -1.193 13.322 1.00 0.00 O ATOM 1082 CB LYS A 77 -22.002 1.312 14.525 1.00 0.00 C ATOM 1083 CG LYS A 77 -23.028 1.700 15.617 1.00 0.00 C ATOM 1084 CD LYS A 77 -24.325 2.333 15.067 1.00 0.00 C ATOM 1085 CE LYS A 77 -24.140 3.711 14.408 1.00 0.00 C ATOM 1086 NZ LYS A 77 -25.436 4.229 13.929 1.00 0.00 N ATOM 0 H LYS A 77 -20.018 2.475 15.502 1.00 0.00 H new ATOM 0 HA LYS A 77 -20.992 -0.209 15.782 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -21.667 2.222 14.028 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -22.510 0.707 13.774 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -23.286 0.810 16.191 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -22.559 2.400 16.308 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -24.764 1.653 14.337 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -25.041 2.429 15.884 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.704 4.408 15.124 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -23.442 3.632 13.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -25.280 5.091 13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -25.899 3.511 13.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -26.044 4.451 14.743 1.00 0.00 H new ATOM 1099 N MET A 78 -18.869 -0.190 13.457 1.00 0.00 N ATOM 1100 CA MET A 78 -18.250 -1.012 12.386 1.00 0.00 C ATOM 1101 C MET A 78 -17.936 -2.471 12.850 1.00 0.00 C ATOM 1102 O MET A 78 -16.960 -2.719 13.565 1.00 0.00 O ATOM 1103 CB MET A 78 -17.010 -0.261 11.829 1.00 0.00 C ATOM 1104 CG MET A 78 -16.355 -0.994 10.640 1.00 0.00 C ATOM 1105 SD MET A 78 -15.609 0.164 9.429 1.00 0.00 S ATOM 1106 CE MET A 78 -13.908 -0.491 9.557 1.00 0.00 C ATOM 0 H MET A 78 -18.237 0.501 13.862 1.00 0.00 H new ATOM 0 HA MET A 78 -18.967 -1.139 11.575 1.00 0.00 H new ATOM 0 HB2 MET A 78 -17.307 0.740 11.515 1.00 0.00 H new ATOM 0 HB3 MET A 78 -16.276 -0.140 12.625 1.00 0.00 H new ATOM 0 HG2 MET A 78 -15.586 -1.670 11.013 1.00 0.00 H new ATOM 0 HG3 MET A 78 -17.103 -1.608 10.138 1.00 0.00 H new ATOM 0 HE1 MET A 78 -13.251 0.070 8.893 1.00 0.00 H new ATOM 0 HE2 MET A 78 -13.556 -0.392 10.584 1.00 0.00 H new ATOM 0 HE3 MET A 78 -13.901 -1.543 9.271 1.00 0.00 H new ATOM 1116 N ALA A 79 -18.740 -3.439 12.372 1.00 0.00 N ATOM 1117 CA ALA A 79 -18.507 -4.884 12.631 1.00 0.00 C ATOM 1118 C ALA A 79 -17.457 -5.509 11.654 1.00 0.00 C ATOM 1119 O ALA A 79 -17.779 -6.230 10.704 1.00 0.00 O ATOM 1120 CB ALA A 79 -19.893 -5.558 12.591 1.00 0.00 C ATOM 0 H ALA A 79 -19.563 -3.251 11.800 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.051 -5.045 13.608 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.783 -6.627 12.776 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -20.532 -5.121 13.358 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -20.344 -5.404 11.611 1.00 0.00 H new ATOM 1126 N PHE A 80 -16.178 -5.204 11.919 1.00 0.00 N ATOM 1127 CA PHE A 80 -15.031 -5.656 11.096 1.00 0.00 C ATOM 1128 C PHE A 80 -13.873 -6.080 12.051 1.00 0.00 C ATOM 1129 O PHE A 80 -13.451 -5.314 12.923 1.00 0.00 O ATOM 1130 CB PHE A 80 -14.641 -4.503 10.123 1.00 0.00 C ATOM 1131 CG PHE A 80 -13.575 -4.872 9.079 1.00 0.00 C ATOM 1132 CD1 PHE A 80 -13.914 -5.693 8.000 1.00 0.00 C ATOM 1133 CD2 PHE A 80 -12.254 -4.432 9.218 1.00 0.00 C ATOM 1134 CE1 PHE A 80 -12.944 -6.085 7.083 1.00 0.00 C ATOM 1135 CE2 PHE A 80 -11.284 -4.822 8.298 1.00 0.00 C ATOM 1136 CZ PHE A 80 -11.627 -5.660 7.240 1.00 0.00 C ATOM 0 H PHE A 80 -15.901 -4.632 12.717 1.00 0.00 H new ATOM 0 HA PHE A 80 -15.277 -6.525 10.486 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -15.538 -4.167 9.602 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -14.278 -3.659 10.709 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.934 -6.025 7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -11.986 -3.787 10.042 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.212 -6.718 6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -10.267 -4.475 8.405 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.870 -5.981 6.540 1.00 0.00 H new ATOM 1146 N ALA A 81 -13.337 -7.297 11.866 1.00 0.00 N ATOM 1147 CA ALA A 81 -12.181 -7.790 12.662 1.00 0.00 C ATOM 1148 C ALA A 81 -10.814 -7.142 12.270 1.00 0.00 C ATOM 1149 O ALA A 81 -10.198 -6.482 13.112 1.00 0.00 O ATOM 1150 CB ALA A 81 -12.199 -9.331 12.591 1.00 0.00 C ATOM 0 H ALA A 81 -13.679 -7.964 11.174 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.288 -7.475 13.700 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.363 -9.731 13.165 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.136 -9.703 13.006 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -12.111 -9.648 11.552 1.00 0.00 H new ATOM 1156 N GLY A 82 -10.351 -7.309 11.016 1.00 0.00 N ATOM 1157 CA GLY A 82 -9.081 -6.694 10.564 1.00 0.00 C ATOM 1158 C GLY A 82 -8.558 -7.139 9.180 1.00 0.00 C ATOM 1159 O GLY A 82 -8.813 -8.246 8.697 1.00 0.00 O ATOM 0 H GLY A 82 -10.829 -7.858 10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.212 -5.612 10.548 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.313 -6.912 11.306 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.734 -6.265 8.591 1.00 0.00 N ATOM 1164 CA LEU A 83 -6.801 -6.619 7.489 1.00 0.00 C ATOM 1165 C LEU A 83 -5.387 -6.916 8.118 1.00 0.00 C ATOM 1166 O LEU A 83 -4.683 -5.951 8.448 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.708 -5.435 6.480 1.00 0.00 C ATOM 1168 CG LEU A 83 -7.933 -5.077 5.604 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.621 -3.826 4.767 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -8.348 -6.216 4.659 1.00 0.00 C ATOM 0 H LEU A 83 -7.687 -5.282 8.860 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.159 -7.498 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.442 -4.543 7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.876 -5.645 5.807 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.764 -4.895 6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.485 -3.576 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.394 -2.991 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.762 -4.023 4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.212 -5.905 4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.521 -6.453 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.606 -7.099 5.244 1.00 0.00 H new ATOM 1182 N PRO A 84 -4.909 -8.182 8.318 1.00 0.00 N ATOM 1183 CA PRO A 84 -3.629 -8.451 9.043 1.00 0.00 C ATOM 1184 C PRO A 84 -2.285 -8.068 8.338 1.00 0.00 C ATOM 1185 O PRO A 84 -1.350 -7.639 9.021 1.00 0.00 O ATOM 1186 CB PRO A 84 -3.758 -9.946 9.390 1.00 0.00 C ATOM 1187 CG PRO A 84 -4.678 -10.532 8.317 1.00 0.00 C ATOM 1188 CD PRO A 84 -5.674 -9.411 8.021 1.00 0.00 C ATOM 0 HA PRO A 84 -3.531 -7.789 9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -2.785 -10.436 9.384 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.178 -10.084 10.386 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.119 -10.814 7.424 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -5.183 -11.430 8.673 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.008 -9.435 6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.564 -9.490 8.645 1.00 0.00 H new ATOM 1196 N LYS A 85 -2.187 -8.168 7.001 1.00 0.00 N ATOM 1197 CA LYS A 85 -0.968 -7.789 6.240 1.00 0.00 C ATOM 1198 C LYS A 85 -0.900 -6.252 5.962 1.00 0.00 C ATOM 1199 O LYS A 85 -1.812 -5.659 5.374 1.00 0.00 O ATOM 1200 CB LYS A 85 -0.942 -8.585 4.907 1.00 0.00 C ATOM 1201 CG LYS A 85 -0.720 -10.110 5.036 1.00 0.00 C ATOM 1202 CD LYS A 85 -0.664 -10.806 3.662 1.00 0.00 C ATOM 1203 CE LYS A 85 -0.413 -12.316 3.785 1.00 0.00 C ATOM 1204 NZ LYS A 85 -0.409 -12.932 2.443 1.00 0.00 N ATOM 0 H LYS A 85 -2.945 -8.512 6.412 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.094 -8.037 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -1.885 -8.417 4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.153 -8.175 4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.209 -10.296 5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.525 -10.544 5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.602 -10.637 3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.126 -10.356 3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.541 -12.496 4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.185 -12.773 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.239 -13.954 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.329 -12.772 1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.344 -12.504 1.867 1.00 0.00 H new ATOM 1217 N ILE A 86 0.236 -5.629 6.325 1.00 0.00 N ATOM 1218 CA ILE A 86 0.591 -4.229 5.912 1.00 0.00 C ATOM 1219 C ILE A 86 0.505 -3.918 4.375 1.00 0.00 C ATOM 1220 O ILE A 86 -0.072 -2.895 3.999 1.00 0.00 O ATOM 1221 CB ILE A 86 1.956 -3.811 6.564 1.00 0.00 C ATOM 1222 CG1 ILE A 86 2.345 -2.316 6.373 1.00 0.00 C ATOM 1223 CG2 ILE A 86 3.166 -4.681 6.127 1.00 0.00 C ATOM 1224 CD1 ILE A 86 1.403 -1.291 7.024 1.00 0.00 C ATOM 0 H ILE A 86 0.944 -6.069 6.913 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.200 -3.590 6.306 1.00 0.00 H new ATOM 0 HB ILE A 86 1.751 -3.984 7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.347 -2.167 6.775 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.396 -2.107 5.304 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.069 -4.325 6.624 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.986 -5.720 6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.294 -4.610 5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.770 -0.284 6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.402 -1.400 6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.368 -1.461 8.100 1.00 0.00 H new ATOM 1236 N GLU A 87 1.028 -4.807 3.505 1.00 0.00 N ATOM 1237 CA GLU A 87 0.826 -4.724 2.031 1.00 0.00 C ATOM 1238 C GLU A 87 -0.660 -4.640 1.542 1.00 0.00 C ATOM 1239 O GLU A 87 -0.979 -3.736 0.770 1.00 0.00 O ATOM 1240 CB GLU A 87 1.672 -5.809 1.307 1.00 0.00 C ATOM 1241 CG GLU A 87 1.288 -7.297 1.527 1.00 0.00 C ATOM 1242 CD GLU A 87 2.175 -8.272 0.760 1.00 0.00 C ATOM 1243 OE1 GLU A 87 3.309 -8.590 1.445 1.00 0.00 O ATOM 1244 OE2 GLU A 87 1.900 -8.722 -0.347 1.00 0.00 O ATOM 0 H GLU A 87 1.600 -5.600 3.795 1.00 0.00 H new ATOM 0 HA GLU A 87 1.202 -3.745 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.629 -5.607 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.710 -5.683 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.345 -7.526 2.591 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.251 -7.445 1.224 1.00 0.00 H new ATOM 1251 N ASP A 88 -1.574 -5.495 2.044 1.00 0.00 N ATOM 1252 CA ASP A 88 -3.046 -5.368 1.802 1.00 0.00 C ATOM 1253 C ASP A 88 -3.685 -4.014 2.271 1.00 0.00 C ATOM 1254 O ASP A 88 -4.449 -3.409 1.514 1.00 0.00 O ATOM 1255 CB ASP A 88 -3.780 -6.585 2.436 1.00 0.00 C ATOM 1256 CG ASP A 88 -3.489 -7.948 1.792 1.00 0.00 C ATOM 1257 OD1 ASP A 88 -2.367 -8.445 1.745 1.00 0.00 O ATOM 1258 OD2 ASP A 88 -4.613 -8.545 1.298 1.00 0.00 O ATOM 0 H ASP A 88 -1.325 -6.294 2.628 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.176 -5.363 0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.512 -6.638 3.491 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.854 -6.403 2.388 1.00 0.00 H new ATOM 1263 N ARG A 89 -3.342 -3.524 3.480 1.00 0.00 N ATOM 1264 CA ARG A 89 -3.709 -2.154 3.949 1.00 0.00 C ATOM 1265 C ARG A 89 -3.167 -0.988 3.052 1.00 0.00 C ATOM 1266 O ARG A 89 -3.963 -0.173 2.580 1.00 0.00 O ATOM 1267 CB ARG A 89 -3.299 -1.983 5.442 1.00 0.00 C ATOM 1268 CG ARG A 89 -3.914 -3.008 6.430 1.00 0.00 C ATOM 1269 CD ARG A 89 -3.812 -2.665 7.926 1.00 0.00 C ATOM 1270 NE ARG A 89 -2.410 -2.594 8.433 1.00 0.00 N ATOM 1271 CZ ARG A 89 -1.733 -3.595 8.989 1.00 0.00 C ATOM 1272 NH1 ARG A 89 -2.164 -4.825 9.048 1.00 0.00 N ATOM 1273 NH2 ARG A 89 -0.575 -3.323 9.510 1.00 0.00 N ATOM 0 H ARG A 89 -2.805 -4.058 4.163 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.792 -2.073 3.857 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.213 -2.046 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.581 -0.981 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -4.967 -3.133 6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.431 -3.971 6.267 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.302 -1.708 8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -4.358 -3.414 8.499 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.929 -1.699 8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -3.073 -5.067 8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.592 -5.545 9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.215 -2.369 9.483 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.025 -4.063 9.946 1.00 0.00 H new ATOM 1287 N ALA A 90 -1.849 -0.934 2.769 1.00 0.00 N ATOM 1288 CA ALA A 90 -1.263 0.006 1.771 1.00 0.00 C ATOM 1289 C ALA A 90 -1.814 -0.079 0.305 1.00 0.00 C ATOM 1290 O ALA A 90 -2.099 0.964 -0.291 1.00 0.00 O ATOM 1291 CB ALA A 90 0.264 -0.195 1.843 1.00 0.00 C ATOM 0 H ALA A 90 -1.158 -1.534 3.219 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.568 1.017 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.752 0.470 1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.614 0.032 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.507 -1.229 1.599 1.00 0.00 H new ATOM 1297 N ASN A 91 -2.010 -1.288 -0.261 1.00 0.00 N ATOM 1298 CA ASN A 91 -2.759 -1.498 -1.539 1.00 0.00 C ATOM 1299 C ASN A 91 -4.214 -0.915 -1.562 1.00 0.00 C ATOM 1300 O ASN A 91 -4.552 -0.167 -2.485 1.00 0.00 O ATOM 1301 CB ASN A 91 -2.757 -3.015 -1.892 1.00 0.00 C ATOM 1302 CG ASN A 91 -1.418 -3.664 -2.267 1.00 0.00 C ATOM 1303 OD1 ASN A 91 -0.416 -3.021 -2.558 1.00 0.00 O ATOM 1304 ND2 ASN A 91 -1.355 -4.973 -2.288 1.00 0.00 N ATOM 0 H ASN A 91 -1.657 -2.153 0.148 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.230 -0.925 -2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.164 -3.557 -1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.446 -3.166 -2.723 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.484 -5.438 -2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.177 -5.527 -2.049 1.00 0.00 H new ATOM 1311 N LEU A 92 -5.057 -1.207 -0.547 1.00 0.00 N ATOM 1312 CA LEU A 92 -6.371 -0.521 -0.361 1.00 0.00 C ATOM 1313 C LEU A 92 -6.306 1.036 -0.193 1.00 0.00 C ATOM 1314 O LEU A 92 -7.108 1.740 -0.809 1.00 0.00 O ATOM 1315 CB LEU A 92 -7.130 -1.233 0.794 1.00 0.00 C ATOM 1316 CG LEU A 92 -8.639 -0.870 0.915 1.00 0.00 C ATOM 1317 CD1 LEU A 92 -9.483 -2.071 1.355 1.00 0.00 C ATOM 1318 CD2 LEU A 92 -8.881 0.276 1.908 1.00 0.00 C ATOM 0 H LEU A 92 -4.857 -1.913 0.161 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.927 -0.619 -1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.041 -2.311 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.637 -0.991 1.736 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.943 -0.555 -0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.529 -1.774 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.383 -2.873 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.138 -2.421 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.948 0.494 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.523 -0.016 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.345 1.165 1.576 1.00 0.00 H new ATOM 1330 N ILE A 93 -5.364 1.579 0.598 1.00 0.00 N ATOM 1331 CA ILE A 93 -5.131 3.053 0.726 1.00 0.00 C ATOM 1332 C ILE A 93 -4.702 3.740 -0.627 1.00 0.00 C ATOM 1333 O ILE A 93 -5.279 4.776 -0.969 1.00 0.00 O ATOM 1334 CB ILE A 93 -4.200 3.288 1.972 1.00 0.00 C ATOM 1335 CG1 ILE A 93 -4.901 2.892 3.315 1.00 0.00 C ATOM 1336 CG2 ILE A 93 -3.661 4.739 2.087 1.00 0.00 C ATOM 1337 CD1 ILE A 93 -3.982 2.750 4.540 1.00 0.00 C ATOM 0 H ILE A 93 -4.735 1.019 1.173 1.00 0.00 H new ATOM 0 HA ILE A 93 -6.065 3.579 0.926 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.347 2.632 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.660 3.641 3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.422 1.946 3.165 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.027 4.823 2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.079 4.982 1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -4.498 5.432 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.577 2.474 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.238 1.977 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.480 3.699 4.730 1.00 0.00 H new ATOM 1349 N ALA A 94 -3.783 3.156 -1.428 1.00 0.00 N ATOM 1350 CA ALA A 94 -3.615 3.522 -2.867 1.00 0.00 C ATOM 1351 C ALA A 94 -4.894 3.453 -3.769 1.00 0.00 C ATOM 1352 O ALA A 94 -5.132 4.384 -4.543 1.00 0.00 O ATOM 1353 CB ALA A 94 -2.476 2.658 -3.434 1.00 0.00 C ATOM 0 H ALA A 94 -3.143 2.429 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.380 4.586 -2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.325 2.899 -4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.558 2.857 -2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.736 1.604 -3.337 1.00 0.00 H new ATOM 1359 N TYR A 95 -5.735 2.402 -3.657 1.00 0.00 N ATOM 1360 CA TYR A 95 -7.088 2.379 -4.290 1.00 0.00 C ATOM 1361 C TYR A 95 -8.062 3.512 -3.815 1.00 0.00 C ATOM 1362 O TYR A 95 -8.660 4.162 -4.668 1.00 0.00 O ATOM 1363 CB TYR A 95 -7.666 0.944 -4.148 1.00 0.00 C ATOM 1364 CG TYR A 95 -9.014 0.683 -4.842 1.00 0.00 C ATOM 1365 CD1 TYR A 95 -9.107 0.696 -6.238 1.00 0.00 C ATOM 1366 CD2 TYR A 95 -10.162 0.437 -4.081 1.00 0.00 C ATOM 1367 CE1 TYR A 95 -10.333 0.481 -6.862 1.00 0.00 C ATOM 1368 CE2 TYR A 95 -11.384 0.211 -4.708 1.00 0.00 C ATOM 1369 CZ TYR A 95 -11.469 0.238 -6.097 1.00 0.00 C ATOM 1370 OH TYR A 95 -12.671 0.032 -6.719 1.00 0.00 O ATOM 0 H TYR A 95 -5.508 1.555 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.975 2.619 -5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.935 0.239 -4.544 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.779 0.724 -3.087 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -8.224 0.874 -6.834 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -10.100 0.422 -3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -10.402 0.503 -7.940 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.266 0.015 -4.117 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.365 -0.125 -6.045 1.00 0.00 H new ATOM 1380 N LEU A 96 -8.188 3.796 -2.506 1.00 0.00 N ATOM 1381 CA LEU A 96 -8.892 5.015 -1.996 1.00 0.00 C ATOM 1382 C LEU A 96 -8.330 6.405 -2.478 1.00 0.00 C ATOM 1383 O LEU A 96 -9.120 7.314 -2.743 1.00 0.00 O ATOM 1384 CB LEU A 96 -8.936 4.951 -0.444 1.00 0.00 C ATOM 1385 CG LEU A 96 -9.724 3.794 0.228 1.00 0.00 C ATOM 1386 CD1 LEU A 96 -9.426 3.778 1.737 1.00 0.00 C ATOM 1387 CD2 LEU A 96 -11.239 3.892 -0.023 1.00 0.00 C ATOM 0 H LEU A 96 -7.813 3.201 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.889 4.981 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.908 4.904 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.356 5.891 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 96 -9.392 2.859 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.979 2.966 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.358 3.629 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.729 4.728 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -11.744 3.060 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.614 4.833 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.434 3.853 -1.095 1.00 0.00 H new ATOM 1399 N GLU A 97 -7.000 6.570 -2.625 1.00 0.00 N ATOM 1400 CA GLU A 97 -6.388 7.728 -3.350 1.00 0.00 C ATOM 1401 C GLU A 97 -6.699 7.805 -4.888 1.00 0.00 C ATOM 1402 O GLU A 97 -6.960 8.902 -5.389 1.00 0.00 O ATOM 1403 CB GLU A 97 -4.856 7.740 -3.081 1.00 0.00 C ATOM 1404 CG GLU A 97 -4.438 8.059 -1.623 1.00 0.00 C ATOM 1405 CD GLU A 97 -2.936 7.967 -1.372 1.00 0.00 C ATOM 1406 OE1 GLU A 97 -2.513 6.682 -1.210 1.00 0.00 O ATOM 1407 OE2 GLU A 97 -2.192 8.940 -1.313 1.00 0.00 O ATOM 0 H GLU A 97 -6.314 5.915 -2.251 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.861 8.624 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.449 6.766 -3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.394 8.474 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.777 9.064 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.951 7.371 -0.951 1.00 0.00 H new ATOM 1414 N GLY A 98 -6.717 6.684 -5.636 1.00 0.00 N ATOM 1415 CA GLY A 98 -7.374 6.631 -6.978 1.00 0.00 C ATOM 1416 C GLY A 98 -8.906 6.892 -7.047 1.00 0.00 C ATOM 1417 O GLY A 98 -9.374 7.593 -7.945 1.00 0.00 O ATOM 0 H GLY A 98 -6.290 5.804 -5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.881 7.360 -7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.182 5.647 -7.406 1.00 0.00 H new ATOM 1421 N GLN A 99 -9.678 6.338 -6.103 1.00 0.00 N ATOM 1422 CA GLN A 99 -11.146 6.562 -5.969 1.00 0.00 C ATOM 1423 C GLN A 99 -11.483 7.803 -5.068 1.00 0.00 C ATOM 1424 O GLN A 99 -12.135 7.706 -4.020 1.00 0.00 O ATOM 1425 CB GLN A 99 -11.774 5.243 -5.430 1.00 0.00 C ATOM 1426 CG GLN A 99 -11.586 3.944 -6.262 1.00 0.00 C ATOM 1427 CD GLN A 99 -12.383 3.859 -7.565 1.00 0.00 C ATOM 1428 OE1 GLN A 99 -13.505 3.367 -7.611 1.00 0.00 O ATOM 1429 NE2 GLN A 99 -11.833 4.323 -8.662 1.00 0.00 N ATOM 0 H GLN A 99 -9.305 5.708 -5.392 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.575 6.804 -6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -11.366 5.063 -4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -12.845 5.409 -5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.527 3.839 -6.500 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.858 3.094 -5.637 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -10.900 4.734 -8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.339 4.273 -9.546 1.00 0.00 H new ATOM 1438 N GLN A 100 -11.040 8.976 -5.536 1.00 0.00 N ATOM 1439 CA GLN A 100 -11.388 10.296 -4.949 1.00 0.00 C ATOM 1440 C GLN A 100 -12.659 10.873 -5.626 1.00 0.00 C ATOM 1441 O GLN A 100 -12.586 11.392 -6.765 1.00 0.00 O ATOM 1442 CB GLN A 100 -10.159 11.246 -5.017 1.00 0.00 C ATOM 1443 CG GLN A 100 -9.125 11.057 -3.879 1.00 0.00 C ATOM 1444 CD GLN A 100 -7.932 12.014 -3.945 1.00 0.00 C ATOM 1445 OE1 GLN A 100 -7.951 13.118 -3.412 1.00 0.00 O ATOM 1446 NE2 GLN A 100 -6.852 11.631 -4.579 1.00 0.00 N ATOM 1447 OXT GLN A 100 -13.743 10.809 -4.999 1.00 0.00 O ATOM 0 H GLN A 100 -10.421 9.047 -6.344 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.636 10.182 -3.894 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.657 11.098 -5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.513 12.277 -4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.628 11.189 -2.921 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.755 10.032 -3.907 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.821 10.715 -5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.041 12.248 -4.625 1.00 0.00 H new TER 1456 GLN A 100 HETATM 1457 FE HEC A 101 -16.353 0.171 7.449 1.00 0.00 FE HETATM 1458 CHA HEC A 101 -16.868 3.130 9.115 1.00 0.00 C HETATM 1459 CHB HEC A 101 -13.490 1.799 6.339 1.00 0.00 C HETATM 1460 CHC HEC A 101 -15.378 -2.725 6.244 1.00 0.00 C HETATM 1461 CHD HEC A 101 -19.144 -1.118 8.275 1.00 0.00 C HETATM 1462 NA HEC A 101 -15.353 1.880 7.799 1.00 0.00 N HETATM 1463 C1A HEC A 101 -15.722 2.968 8.450 1.00 0.00 C HETATM 1464 C2A HEC A 101 -14.896 4.046 8.403 1.00 0.00 C HETATM 1465 C3A HEC A 101 -13.896 3.641 7.639 1.00 0.00 C HETATM 1466 C4A HEC A 101 -14.263 2.393 7.251 1.00 0.00 C HETATM 1467 CMA HEC A 101 -12.650 4.479 7.278 1.00 0.00 C HETATM 1468 CAA HEC A 101 -14.990 5.465 9.026 1.00 0.00 C HETATM 1469 CBA HEC A 101 -15.600 6.502 8.050 1.00 0.00 C HETATM 1470 CGA HEC A 101 -15.714 7.954 8.539 1.00 0.00 C HETATM 1471 O1A HEC A 101 -15.558 8.229 9.753 1.00 0.00 O HETATM 1472 O2A HEC A 101 -15.956 8.841 7.691 1.00 0.00 O HETATM 1473 NB HEC A 101 -14.832 -0.290 6.467 1.00 0.00 N HETATM 1474 C1B HEC A 101 -13.748 0.434 5.890 1.00 0.00 C HETATM 1475 C2B HEC A 101 -12.949 -0.289 5.009 1.00 0.00 C HETATM 1476 C3B HEC A 101 -13.384 -1.596 5.087 1.00 0.00 C HETATM 1477 C4B HEC A 101 -14.483 -1.582 5.973 1.00 0.00 C HETATM 1478 CMB HEC A 101 -11.839 0.242 4.093 1.00 0.00 C HETATM 1479 CAB HEC A 101 -12.833 -2.795 4.277 1.00 0.00 C HETATM 1480 CBB HEC A 101 -11.411 -3.192 4.698 1.00 0.00 C HETATM 1481 NC HEC A 101 -16.995 -1.581 7.485 1.00 0.00 N HETATM 1482 C1C HEC A 101 -16.550 -2.639 6.888 1.00 0.00 C HETATM 1483 C2C HEC A 101 -17.407 -3.688 6.877 1.00 0.00 C HETATM 1484 C3C HEC A 101 -18.536 -3.208 7.405 1.00 0.00 C HETATM 1485 C4C HEC A 101 -18.218 -1.931 7.740 1.00 0.00 C HETATM 1486 CMC HEC A 101 -17.265 -5.117 6.332 1.00 0.00 C HETATM 1487 CAC HEC A 101 -19.919 -3.927 7.408 1.00 0.00 C HETATM 1488 CBC HEC A 101 -19.991 -5.244 8.197 1.00 0.00 C HETATM 1489 ND HEC A 101 -17.763 0.948 8.312 1.00 0.00 N HETATM 1490 C1D HEC A 101 -18.952 0.290 8.666 1.00 0.00 C HETATM 1491 C2D HEC A 101 -19.789 1.014 9.530 1.00 0.00 C HETATM 1492 C3D HEC A 101 -19.137 2.200 9.796 1.00 0.00 C HETATM 1493 C4D HEC A 101 -17.936 2.131 9.081 1.00 0.00 C HETATM 1494 CMD HEC A 101 -21.149 0.581 10.091 1.00 0.00 C HETATM 1495 CAD HEC A 101 -19.652 3.367 10.655 1.00 0.00 C HETATM 1496 CBD HEC A 101 -19.216 3.266 12.129 1.00 0.00 C HETATM 1497 CGD HEC A 101 -19.614 4.475 12.971 1.00 0.00 C HETATM 1498 O1D HEC A 101 -20.826 4.728 13.146 1.00 0.00 O HETATM 1499 O2D HEC A 101 -18.713 5.185 13.462 1.00 0.00 O HETATM 0 HMD3 HEC A 101 -21.841 0.401 9.268 1.00 0.00 H new HETATM 0 HMD2 HEC A 101 -21.029 -0.334 10.671 1.00 0.00 H new HETATM 0 HMD1 HEC A 101 -21.545 1.368 10.733 1.00 0.00 H new HETATM 0 HMC3 HEC A 101 -17.072 -5.080 5.260 1.00 0.00 H new HETATM 0 HMC2 HEC A 101 -16.436 -5.617 6.833 1.00 0.00 H new HETATM 0 HMC1 HEC A 101 -18.186 -5.670 6.516 1.00 0.00 H new HETATM 0 HMB3 HEC A 101 -12.257 0.974 3.402 1.00 0.00 H new HETATM 0 HMB2 HEC A 101 -11.064 0.714 4.697 1.00 0.00 H new HETATM 0 HMB1 HEC A 101 -11.406 -0.584 3.529 1.00 0.00 H new HETATM 0 HMA3 HEC A 101 -12.959 5.383 6.754 1.00 0.00 H new HETATM 0 HMA2 HEC A 101 -12.118 4.752 8.190 1.00 0.00 H new HETATM 0 HMA1 HEC A 101 -11.992 3.894 6.635 1.00 0.00 H new HETATM 0 HBD2 HEC A 101 -19.654 2.369 12.567 1.00 0.00 H new HETATM 0 HBD1 HEC A 101 -18.133 3.146 12.171 1.00 0.00 H new HETATM 0 HBC3 HEC A 101 -19.280 -5.957 7.780 1.00 0.00 H new HETATM 0 HBC2 HEC A 101 -19.746 -5.056 9.242 1.00 0.00 H new HETATM 0 HBC1 HEC A 101 -20.999 -5.654 8.129 1.00 0.00 H new HETATM 0 HBB3 HEC A 101 -10.737 -2.349 4.545 1.00 0.00 H new HETATM 0 HBB2 HEC A 101 -11.408 -3.472 5.751 1.00 0.00 H new HETATM 0 HBB1 HEC A 101 -11.076 -4.037 4.097 1.00 0.00 H new HETATM 0 HBA2 HEC A 101 -15.001 6.500 7.139 1.00 0.00 H new HETATM 0 HBA1 HEC A 101 -16.598 6.160 7.776 1.00 0.00 H new HETATM 0 HAD2 HEC A 101 -19.289 4.306 10.238 1.00 0.00 H new HETATM 0 HAD1 HEC A 101 -20.740 3.396 10.605 1.00 0.00 H new HETATM 0 HAA2 HEC A 101 -15.596 5.422 9.931 1.00 0.00 H new HETATM 0 HAA1 HEC A 101 -13.995 5.794 9.325 1.00 0.00 H new HETATM 0 HHD HEC A 101 -20.135 -1.542 8.436 1.00 0.00 H new HETATM 0 HHC HEC A 101 -15.063 -3.709 5.895 1.00 0.00 H new HETATM 0 HHB HEC A 101 -12.646 2.346 5.919 1.00 0.00 H new HETATM 0 HHA HEC A 101 -17.013 4.037 9.703 1.00 0.00 H new HETATM 0 H2D HEC A 101 -18.865 5.287 14.425 1.00 0.00 H new HETATM 0 H2A HEC A 101 -15.315 9.575 7.793 1.00 0.00 H new