USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 THR OG1 : rot 116:sc= -1.46! USER MOD Set 1.2: A 88 HIS : no HD1:sc= 0.811 K(o=-0.65,f=-6.7!) USER MOD Set 2.1: A 53 THR OG1 : rot 94:sc= 2.16 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 1 USER MOD Set 2.3: A 81 SER OG : rot 93:sc= 1.17 USER MOD Set 3.1: A 66 GLN : amide:sc= -1.01 K(o=-1.1,f=-5.9!) USER MOD Set 3.2: A 69 ASN : amide:sc= -0.0989 K(o=-1.1,f=-2.2!) USER MOD Set 4.1: A 4 THR OG1 : rot -64:sc= 0.741 USER MOD Set 4.2: A 13 THR OG1 : rot 180:sc= 0.661 USER MOD Set 5.1: A 7 THR OG1 : rot -80:sc= 2.67 USER MOD Set 5.2: A 9 SER OG : rot 35:sc= 1.07 USER MOD Single : A 0 MET CE :methyl -127:sc= -0.694 (180deg=-2.5!) USER MOD Single : A 0 MET N :NH3+ -179:sc= 0.421 (180deg=0.413) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -114:sc= -0.613 (180deg=-1.72!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -82:sc= -4.99! USER MOD Single : A 20 THR OG1 : rot 25:sc= 0.418 USER MOD Single : A 21 TYR OH : rot 81:sc= 0.111 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 175:sc= 0.933 USER MOD Single : A 44 SER OG : rot -52:sc= 0.152 USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 0.859 (180deg=0.145) USER MOD Single : A 56 GLN : amide:sc= -8.36! C(o=-8.4!,f=-5.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -9.68! C(o=-9.7!,f=-17!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 154:sc= -0.305 (180deg=-1.11) USER MOD Single : A 74 THR OG1 : rot -84:sc= 0.96 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= -5.91! USER MOD Single : A 84 THR OG1 : rot -130:sc= -0.517 USER MOD Single : A 86 GLN : amide:sc= -4.54! C(o=-4.5!,f=-3.1!) USER MOD Single : A 89 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.96) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0215 K(o=-0.021,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -14.293 3.443 8.161 1.00 0.00 N ATOM 2 CA MET A 0 -13.201 3.355 7.200 1.00 0.00 C ATOM 3 C MET A 0 -12.539 4.702 6.976 1.00 0.00 C ATOM 4 O MET A 0 -12.938 5.715 7.554 1.00 0.00 O ATOM 5 CB MET A 0 -13.680 2.803 5.855 1.00 0.00 C ATOM 6 CG MET A 0 -15.121 3.106 5.527 1.00 0.00 C ATOM 7 SD MET A 0 -15.530 4.866 5.573 1.00 0.00 S ATOM 8 CE MET A 0 -14.498 5.516 4.261 1.00 0.00 C ATOM 0 H1 MET A 0 -14.709 2.500 8.301 1.00 0.00 H new ATOM 0 H2 MET A 0 -13.929 3.799 9.068 1.00 0.00 H new ATOM 0 H3 MET A 0 -15.021 4.093 7.801 1.00 0.00 H new ATOM 0 HA MET A 0 -12.470 2.669 7.628 1.00 0.00 H new ATOM 0 HB2 MET A 0 -13.048 3.209 5.065 1.00 0.00 H new ATOM 0 HB3 MET A 0 -13.540 1.722 5.851 1.00 0.00 H new ATOM 0 HG2 MET A 0 -15.347 2.717 4.534 1.00 0.00 H new ATOM 0 HG3 MET A 0 -15.763 2.576 6.231 1.00 0.00 H new ATOM 0 HE1 MET A 0 -13.900 6.343 4.644 1.00 0.00 H new ATOM 0 HE2 MET A 0 -13.838 4.730 3.894 1.00 0.00 H new ATOM 0 HE3 MET A 0 -15.127 5.871 3.445 1.00 0.00 H new ATOM 18 N TYR A 1 -11.517 4.688 6.138 1.00 0.00 N ATOM 19 CA TYR A 1 -10.824 5.895 5.737 1.00 0.00 C ATOM 20 C TYR A 1 -10.766 5.950 4.223 1.00 0.00 C ATOM 21 O TYR A 1 -10.798 4.909 3.558 1.00 0.00 O ATOM 22 CB TYR A 1 -9.405 5.915 6.302 1.00 0.00 C ATOM 23 CG TYR A 1 -9.331 5.739 7.804 1.00 0.00 C ATOM 24 CD1 TYR A 1 -9.453 4.481 8.389 1.00 0.00 C ATOM 25 CD2 TYR A 1 -9.137 6.832 8.636 1.00 0.00 C ATOM 26 CE1 TYR A 1 -9.377 4.326 9.760 1.00 0.00 C ATOM 27 CE2 TYR A 1 -9.064 6.682 10.006 1.00 0.00 C ATOM 28 CZ TYR A 1 -9.181 5.428 10.562 1.00 0.00 C ATOM 29 OH TYR A 1 -9.108 5.275 11.929 1.00 0.00 O ATOM 0 H TYR A 1 -11.145 3.837 5.717 1.00 0.00 H new ATOM 0 HA TYR A 1 -11.363 6.759 6.125 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -8.826 5.124 5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.933 6.861 6.035 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -9.609 3.615 7.763 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -9.041 7.817 8.204 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.471 3.344 10.201 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -8.916 7.544 10.639 1.00 0.00 H new ATOM 0 HH TYR A 1 -8.966 6.149 12.349 1.00 0.00 H new ATOM 39 N LYS A 2 -10.679 7.146 3.678 1.00 0.00 N ATOM 40 CA LYS A 2 -10.650 7.314 2.241 1.00 0.00 C ATOM 41 C LYS A 2 -9.222 7.461 1.755 1.00 0.00 C ATOM 42 O LYS A 2 -8.562 8.473 1.995 1.00 0.00 O ATOM 43 CB LYS A 2 -11.496 8.514 1.820 1.00 0.00 C ATOM 44 CG LYS A 2 -12.965 8.345 2.149 1.00 0.00 C ATOM 45 CD LYS A 2 -13.792 9.536 1.699 1.00 0.00 C ATOM 46 CE LYS A 2 -13.758 9.711 0.188 1.00 0.00 C ATOM 47 NZ LYS A 2 -14.697 10.766 -0.267 1.00 0.00 N ATOM 0 H LYS A 2 -10.627 8.015 4.209 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.078 6.424 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.119 9.409 2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.385 8.672 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.342 7.441 1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.082 8.209 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.824 9.406 2.026 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.417 10.440 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.746 9.966 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.012 8.766 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.644 10.855 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.666 10.511 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.439 11.673 0.172 1.00 0.00 H new ATOM 61 N VAL A 3 -8.744 6.425 1.095 1.00 0.00 N ATOM 62 CA VAL A 3 -7.388 6.389 0.605 1.00 0.00 C ATOM 63 C VAL A 3 -7.371 6.460 -0.917 1.00 0.00 C ATOM 64 O VAL A 3 -8.068 5.713 -1.602 1.00 0.00 O ATOM 65 CB VAL A 3 -6.641 5.130 1.129 1.00 0.00 C ATOM 66 CG1 VAL A 3 -7.589 4.229 1.895 1.00 0.00 C ATOM 67 CG2 VAL A 3 -5.953 4.347 0.021 1.00 0.00 C ATOM 0 H VAL A 3 -9.287 5.587 0.885 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.858 7.262 0.986 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.859 5.488 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.048 3.353 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.002 4.774 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.399 3.911 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.449 3.480 0.447 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.695 4.015 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.221 4.985 -0.475 1.00 0.00 H new ATOM 77 N THR A 4 -6.606 7.397 -1.425 1.00 0.00 N ATOM 78 CA THR A 4 -6.449 7.580 -2.847 1.00 0.00 C ATOM 79 C THR A 4 -5.255 6.785 -3.340 1.00 0.00 C ATOM 80 O THR A 4 -4.117 7.170 -3.116 1.00 0.00 O ATOM 81 CB THR A 4 -6.242 9.064 -3.175 1.00 0.00 C ATOM 82 OG1 THR A 4 -7.324 9.837 -2.636 1.00 0.00 O ATOM 83 CG2 THR A 4 -6.154 9.284 -4.673 1.00 0.00 C ATOM 0 H THR A 4 -6.072 8.057 -0.860 1.00 0.00 H new ATOM 0 HA THR A 4 -7.353 7.228 -3.344 1.00 0.00 H new ATOM 0 HB THR A 4 -5.303 9.385 -2.725 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.161 9.579 -3.075 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.007 10.345 -4.877 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.314 8.718 -5.075 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.077 8.948 -5.145 1.00 0.00 H new ATOM 91 N LEU A 5 -5.499 5.680 -4.004 1.00 0.00 N ATOM 92 CA LEU A 5 -4.410 4.868 -4.472 1.00 0.00 C ATOM 93 C LEU A 5 -3.889 5.381 -5.786 1.00 0.00 C ATOM 94 O LEU A 5 -4.650 5.688 -6.702 1.00 0.00 O ATOM 95 CB LEU A 5 -4.806 3.403 -4.587 1.00 0.00 C ATOM 96 CG LEU A 5 -4.813 2.658 -3.257 1.00 0.00 C ATOM 97 CD1 LEU A 5 -6.213 2.218 -2.902 1.00 0.00 C ATOM 98 CD2 LEU A 5 -3.868 1.467 -3.305 1.00 0.00 C ATOM 0 H LEU A 5 -6.430 5.329 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.613 4.935 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.799 3.339 -5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.118 2.903 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.463 3.338 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.197 1.688 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.859 3.092 -2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.594 1.556 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.887 0.948 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.183 0.784 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.855 1.814 -3.509 1.00 0.00 H new ATOM 110 N LYS A 6 -2.582 5.477 -5.862 1.00 0.00 N ATOM 111 CA LYS A 6 -1.926 5.933 -7.055 1.00 0.00 C ATOM 112 C LYS A 6 -1.509 4.731 -7.873 1.00 0.00 C ATOM 113 O LYS A 6 -0.567 4.008 -7.531 1.00 0.00 O ATOM 114 CB LYS A 6 -0.705 6.767 -6.677 1.00 0.00 C ATOM 115 CG LYS A 6 -1.005 7.796 -5.604 1.00 0.00 C ATOM 116 CD LYS A 6 -0.886 9.223 -6.120 1.00 0.00 C ATOM 117 CE LYS A 6 -1.650 9.428 -7.407 1.00 0.00 C ATOM 118 NZ LYS A 6 -0.761 9.442 -8.604 1.00 0.00 N ATOM 0 H LYS A 6 -1.949 5.241 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.603 6.552 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.087 6.105 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.328 7.274 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.012 7.634 -5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -0.319 7.656 -4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.259 9.914 -5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.165 9.463 -6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.389 8.635 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.198 10.369 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.773 10.389 -9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.210 9.204 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.099 8.743 -9.296 1.00 0.00 H new ATOM 132 N THR A 7 -2.237 4.514 -8.941 1.00 0.00 N ATOM 133 CA THR A 7 -1.955 3.427 -9.844 1.00 0.00 C ATOM 134 C THR A 7 -1.207 3.986 -11.038 1.00 0.00 C ATOM 135 O THR A 7 -1.255 5.191 -11.287 1.00 0.00 O ATOM 136 CB THR A 7 -3.252 2.722 -10.320 1.00 0.00 C ATOM 137 OG1 THR A 7 -3.937 3.536 -11.274 1.00 0.00 O ATOM 138 CG2 THR A 7 -4.187 2.434 -9.150 1.00 0.00 C ATOM 0 H THR A 7 -3.039 5.085 -9.208 1.00 0.00 H new ATOM 0 HA THR A 7 -1.355 2.682 -9.322 1.00 0.00 H new ATOM 0 HB THR A 7 -2.962 1.777 -10.780 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.441 4.234 -10.806 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.087 1.940 -9.516 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.683 1.786 -8.433 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.460 3.370 -8.663 1.00 0.00 H new ATOM 146 N PRO A 8 -0.486 3.139 -11.770 1.00 0.00 N ATOM 147 CA PRO A 8 0.233 3.559 -12.976 1.00 0.00 C ATOM 148 C PRO A 8 -0.691 4.220 -14.006 1.00 0.00 C ATOM 149 O PRO A 8 -0.231 4.938 -14.896 1.00 0.00 O ATOM 150 CB PRO A 8 0.815 2.257 -13.513 1.00 0.00 C ATOM 151 CG PRO A 8 0.873 1.343 -12.334 1.00 0.00 C ATOM 152 CD PRO A 8 -0.283 1.716 -11.466 1.00 0.00 C ATOM 0 HA PRO A 8 0.989 4.314 -12.762 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.190 1.842 -14.304 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.806 2.414 -13.939 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.807 0.300 -12.645 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.816 1.457 -11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.168 1.124 -11.698 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.062 1.557 -10.411 1.00 0.00 H new ATOM 160 N SER A 9 -1.994 3.989 -13.869 1.00 0.00 N ATOM 161 CA SER A 9 -2.981 4.607 -14.738 1.00 0.00 C ATOM 162 C SER A 9 -3.525 5.908 -14.135 1.00 0.00 C ATOM 163 O SER A 9 -3.858 6.841 -14.865 1.00 0.00 O ATOM 164 CB SER A 9 -4.114 3.620 -15.011 1.00 0.00 C ATOM 165 OG SER A 9 -4.395 2.834 -13.863 1.00 0.00 O ATOM 0 H SER A 9 -2.389 3.373 -13.158 1.00 0.00 H new ATOM 0 HA SER A 9 -2.497 4.866 -15.680 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.010 4.164 -15.311 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.842 2.970 -15.843 1.00 0.00 H new ATOM 0 HG SER A 9 -4.266 3.375 -13.056 1.00 0.00 H new ATOM 171 N GLY A 10 -3.599 5.976 -12.810 1.00 0.00 N ATOM 172 CA GLY A 10 -4.077 7.182 -12.152 1.00 0.00 C ATOM 173 C GLY A 10 -4.476 6.943 -10.707 1.00 0.00 C ATOM 174 O GLY A 10 -4.368 5.828 -10.203 1.00 0.00 O ATOM 0 H GLY A 10 -3.337 5.219 -12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.298 7.944 -12.188 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.933 7.575 -12.701 1.00 0.00 H new ATOM 178 N ASP A 11 -4.927 7.987 -10.030 1.00 0.00 N ATOM 179 CA ASP A 11 -5.359 7.878 -8.651 1.00 0.00 C ATOM 180 C ASP A 11 -6.841 7.540 -8.558 1.00 0.00 C ATOM 181 O ASP A 11 -7.654 8.001 -9.362 1.00 0.00 O ATOM 182 CB ASP A 11 -5.083 9.182 -7.906 1.00 0.00 C ATOM 183 CG ASP A 11 -5.654 10.401 -8.600 1.00 0.00 C ATOM 184 OD1 ASP A 11 -4.972 10.960 -9.486 1.00 0.00 O ATOM 185 OD2 ASP A 11 -6.783 10.809 -8.258 1.00 0.00 O ATOM 0 H ASP A 11 -5.003 8.926 -10.420 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.793 7.068 -8.190 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.502 9.114 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.006 9.307 -7.794 1.00 0.00 H new ATOM 190 N LYS A 12 -7.174 6.715 -7.583 1.00 0.00 N ATOM 191 CA LYS A 12 -8.561 6.384 -7.288 1.00 0.00 C ATOM 192 C LYS A 12 -8.748 6.269 -5.786 1.00 0.00 C ATOM 193 O LYS A 12 -7.942 5.644 -5.099 1.00 0.00 O ATOM 194 CB LYS A 12 -8.955 5.067 -7.946 1.00 0.00 C ATOM 195 CG LYS A 12 -10.444 4.730 -7.843 1.00 0.00 C ATOM 196 CD LYS A 12 -11.279 5.550 -8.818 1.00 0.00 C ATOM 197 CE LYS A 12 -10.977 5.171 -10.263 1.00 0.00 C ATOM 198 NZ LYS A 12 -11.794 5.952 -11.231 1.00 0.00 N ATOM 0 H LYS A 12 -6.497 6.256 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.196 7.177 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.675 5.103 -8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.380 4.261 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.591 3.668 -8.042 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.789 4.914 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.338 5.394 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.078 6.611 -8.669 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.919 5.336 -10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.167 4.107 -10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.555 5.661 -12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.804 5.775 -11.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.595 6.966 -11.115 1.00 0.00 H new ATOM 212 N THR A 13 -9.805 6.865 -5.287 1.00 0.00 N ATOM 213 CA THR A 13 -10.092 6.841 -3.869 1.00 0.00 C ATOM 214 C THR A 13 -10.967 5.664 -3.508 1.00 0.00 C ATOM 215 O THR A 13 -12.036 5.457 -4.078 1.00 0.00 O ATOM 216 CB THR A 13 -10.768 8.142 -3.433 1.00 0.00 C ATOM 217 OG1 THR A 13 -9.927 9.256 -3.774 1.00 0.00 O ATOM 218 CG2 THR A 13 -11.042 8.142 -1.937 1.00 0.00 C ATOM 0 H THR A 13 -10.487 7.377 -5.846 1.00 0.00 H new ATOM 0 HA THR A 13 -9.143 6.740 -3.343 1.00 0.00 H new ATOM 0 HB THR A 13 -11.722 8.227 -3.953 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.360 10.090 -3.496 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.523 9.079 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.698 7.308 -1.687 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.102 8.039 -1.395 1.00 0.00 H new ATOM 226 N ILE A 14 -10.473 4.895 -2.568 1.00 0.00 N ATOM 227 CA ILE A 14 -11.166 3.746 -2.057 1.00 0.00 C ATOM 228 C ILE A 14 -11.662 4.032 -0.644 1.00 0.00 C ATOM 229 O ILE A 14 -11.312 5.057 -0.049 1.00 0.00 O ATOM 230 CB ILE A 14 -10.218 2.540 -1.998 1.00 0.00 C ATOM 231 CG1 ILE A 14 -9.093 2.806 -1.020 1.00 0.00 C ATOM 232 CG2 ILE A 14 -9.628 2.240 -3.351 1.00 0.00 C ATOM 233 CD1 ILE A 14 -8.535 1.552 -0.389 1.00 0.00 C ATOM 0 H ILE A 14 -9.565 5.056 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.005 3.527 -2.717 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.802 1.680 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.290 3.332 -1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.454 3.469 -0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -8.961 1.381 -3.275 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.429 2.017 -4.056 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.066 3.105 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.733 1.817 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.326 1.036 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.143 0.897 -1.167 1.00 0.00 H new ATOM 245 N GLU A 15 -12.456 3.128 -0.105 1.00 0.00 N ATOM 246 CA GLU A 15 -12.895 3.225 1.277 1.00 0.00 C ATOM 247 C GLU A 15 -12.461 1.978 2.031 1.00 0.00 C ATOM 248 O GLU A 15 -13.130 0.946 1.977 1.00 0.00 O ATOM 249 CB GLU A 15 -14.414 3.385 1.327 1.00 0.00 C ATOM 250 CG GLU A 15 -14.906 4.646 0.633 1.00 0.00 C ATOM 251 CD GLU A 15 -16.406 4.810 0.709 1.00 0.00 C ATOM 252 OE1 GLU A 15 -17.116 4.235 -0.142 1.00 0.00 O ATOM 253 OE2 GLU A 15 -16.887 5.514 1.621 1.00 0.00 O ATOM 0 H GLU A 15 -12.813 2.313 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.442 4.097 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.880 2.516 0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.737 3.401 2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.427 5.514 1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.600 4.622 -0.413 1.00 0.00 H new ATOM 260 N CYS A 16 -11.344 2.073 2.744 1.00 0.00 N ATOM 261 CA CYS A 16 -10.800 0.918 3.427 1.00 0.00 C ATOM 262 C CYS A 16 -11.022 1.019 4.926 1.00 0.00 C ATOM 263 O CYS A 16 -10.580 1.975 5.567 1.00 0.00 O ATOM 264 CB CYS A 16 -9.316 0.760 3.128 1.00 0.00 C ATOM 265 SG CYS A 16 -8.854 -0.942 2.769 1.00 0.00 S ATOM 0 H CYS A 16 -10.806 2.932 2.860 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.325 0.037 3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.052 1.390 2.279 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.738 1.116 3.981 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.688 -1.591 3.883 1.00 0.00 H new ATOM 271 N PRO A 17 -11.751 0.045 5.486 1.00 0.00 N ATOM 272 CA PRO A 17 -12.014 -0.038 6.926 1.00 0.00 C ATOM 273 C PRO A 17 -10.744 -0.133 7.761 1.00 0.00 C ATOM 274 O PRO A 17 -9.681 -0.517 7.269 1.00 0.00 O ATOM 275 CB PRO A 17 -12.809 -1.336 7.068 1.00 0.00 C ATOM 276 CG PRO A 17 -13.412 -1.566 5.732 1.00 0.00 C ATOM 277 CD PRO A 17 -12.411 -1.046 4.746 1.00 0.00 C ATOM 0 HA PRO A 17 -12.529 0.854 7.282 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.163 -2.165 7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.576 -1.247 7.837 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.610 -2.625 5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.364 -1.045 5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.701 -1.817 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.891 -0.684 3.837 1.00 0.00 H new ATOM 285 N ALA A 18 -10.890 0.167 9.044 1.00 0.00 N ATOM 286 CA ALA A 18 -9.779 0.174 9.988 1.00 0.00 C ATOM 287 C ALA A 18 -9.382 -1.241 10.403 1.00 0.00 C ATOM 288 O ALA A 18 -8.607 -1.429 11.339 1.00 0.00 O ATOM 289 CB ALA A 18 -10.145 0.998 11.212 1.00 0.00 C ATOM 0 H ALA A 18 -11.787 0.414 9.462 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.920 0.624 9.491 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.310 0.999 11.913 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.365 2.022 10.909 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.022 0.565 11.693 1.00 0.00 H new ATOM 295 N ASP A 19 -9.948 -2.232 9.731 1.00 0.00 N ATOM 296 CA ASP A 19 -9.645 -3.632 10.018 1.00 0.00 C ATOM 297 C ASP A 19 -9.338 -4.395 8.736 1.00 0.00 C ATOM 298 O ASP A 19 -8.899 -5.540 8.777 1.00 0.00 O ATOM 299 CB ASP A 19 -10.820 -4.312 10.723 1.00 0.00 C ATOM 300 CG ASP A 19 -11.987 -4.583 9.787 1.00 0.00 C ATOM 301 OD1 ASP A 19 -12.863 -3.704 9.653 1.00 0.00 O ATOM 302 OD2 ASP A 19 -12.032 -5.673 9.180 1.00 0.00 O ATOM 0 H ASP A 19 -10.623 -2.095 8.979 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.771 -3.647 10.670 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.482 -5.253 11.158 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.158 -3.683 11.546 1.00 0.00 H new ATOM 307 N THR A 20 -9.559 -3.753 7.604 1.00 0.00 N ATOM 308 CA THR A 20 -9.474 -4.423 6.324 1.00 0.00 C ATOM 309 C THR A 20 -8.391 -3.798 5.454 1.00 0.00 C ATOM 310 O THR A 20 -8.429 -2.602 5.178 1.00 0.00 O ATOM 311 CB THR A 20 -10.834 -4.355 5.605 1.00 0.00 C ATOM 312 OG1 THR A 20 -11.804 -5.135 6.318 1.00 0.00 O ATOM 313 CG2 THR A 20 -10.728 -4.838 4.168 1.00 0.00 C ATOM 0 H THR A 20 -9.800 -2.763 7.547 1.00 0.00 H new ATOM 0 HA THR A 20 -9.211 -5.466 6.499 1.00 0.00 H new ATOM 0 HB THR A 20 -11.152 -3.313 5.584 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.536 -5.210 7.258 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.706 -4.777 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.019 -4.213 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.383 -5.872 4.156 1.00 0.00 H new ATOM 321 N TYR A 21 -7.456 -4.627 4.996 1.00 0.00 N ATOM 322 CA TYR A 21 -6.279 -4.146 4.279 1.00 0.00 C ATOM 323 C TYR A 21 -6.649 -3.520 2.935 1.00 0.00 C ATOM 324 O TYR A 21 -7.593 -3.954 2.270 1.00 0.00 O ATOM 325 CB TYR A 21 -5.253 -5.269 4.098 1.00 0.00 C ATOM 326 CG TYR A 21 -5.822 -6.667 4.184 1.00 0.00 C ATOM 327 CD1 TYR A 21 -6.381 -7.281 3.074 1.00 0.00 C ATOM 328 CD2 TYR A 21 -5.785 -7.377 5.378 1.00 0.00 C ATOM 329 CE1 TYR A 21 -6.890 -8.562 3.151 1.00 0.00 C ATOM 330 CE2 TYR A 21 -6.289 -8.658 5.462 1.00 0.00 C ATOM 331 CZ TYR A 21 -6.842 -9.246 4.347 1.00 0.00 C ATOM 332 OH TYR A 21 -7.336 -10.528 4.422 1.00 0.00 O ATOM 0 H TYR A 21 -7.492 -5.640 5.110 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.825 -3.363 4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.769 -5.148 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.478 -5.160 4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.419 -6.749 2.135 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.354 -6.918 6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.324 -9.026 2.278 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.250 -9.197 6.397 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.666 -11.157 4.081 1.00 0.00 H new ATOM 342 N ILE A 22 -5.867 -2.506 2.560 1.00 0.00 N ATOM 343 CA ILE A 22 -6.171 -1.597 1.452 1.00 0.00 C ATOM 344 C ILE A 22 -6.651 -2.309 0.196 1.00 0.00 C ATOM 345 O ILE A 22 -7.663 -1.917 -0.369 1.00 0.00 O ATOM 346 CB ILE A 22 -4.939 -0.728 1.101 1.00 0.00 C ATOM 347 CG1 ILE A 22 -4.508 0.065 2.341 1.00 0.00 C ATOM 348 CG2 ILE A 22 -5.267 0.214 -0.052 1.00 0.00 C ATOM 349 CD1 ILE A 22 -3.158 0.748 2.243 1.00 0.00 C ATOM 0 H ILE A 22 -4.987 -2.289 3.027 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.990 -0.970 1.804 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.118 -1.373 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.264 0.822 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.492 -0.611 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.391 0.819 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.552 -0.369 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.092 0.866 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.951 1.280 3.172 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.383 0.000 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.168 1.456 1.414 1.00 0.00 H new ATOM 361 N LEU A 23 -5.956 -3.360 -0.225 1.00 0.00 N ATOM 362 CA LEU A 23 -6.216 -3.955 -1.537 1.00 0.00 C ATOM 363 C LEU A 23 -7.656 -4.448 -1.712 1.00 0.00 C ATOM 364 O LEU A 23 -8.120 -4.566 -2.837 1.00 0.00 O ATOM 365 CB LEU A 23 -5.214 -5.065 -1.883 1.00 0.00 C ATOM 366 CG LEU A 23 -4.922 -6.112 -0.806 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.143 -6.959 -0.492 1.00 0.00 C ATOM 368 CD2 LEU A 23 -3.783 -6.994 -1.269 1.00 0.00 C ATOM 0 H LEU A 23 -5.218 -3.815 0.312 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.076 -3.140 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.580 -5.585 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.271 -4.593 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.646 -5.591 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.891 -7.689 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.948 -6.318 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.467 -7.479 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.569 -7.743 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.062 -7.492 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.896 -6.384 -1.437 1.00 0.00 H new ATOM 380 N ASP A 24 -8.365 -4.706 -0.615 1.00 0.00 N ATOM 381 CA ASP A 24 -9.763 -5.145 -0.694 1.00 0.00 C ATOM 382 C ASP A 24 -10.628 -4.022 -1.244 1.00 0.00 C ATOM 383 O ASP A 24 -11.386 -4.193 -2.201 1.00 0.00 O ATOM 384 CB ASP A 24 -10.267 -5.545 0.693 1.00 0.00 C ATOM 385 CG ASP A 24 -11.693 -6.070 0.685 1.00 0.00 C ATOM 386 OD1 ASP A 24 -12.634 -5.251 0.690 1.00 0.00 O ATOM 387 OD2 ASP A 24 -11.877 -7.308 0.692 1.00 0.00 O ATOM 0 H ASP A 24 -8.001 -4.621 0.334 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.823 -6.006 -1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.608 -6.309 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.208 -4.682 1.356 1.00 0.00 H new ATOM 392 N ALA A 25 -10.491 -2.870 -0.626 1.00 0.00 N ATOM 393 CA ALA A 25 -11.171 -1.671 -1.071 1.00 0.00 C ATOM 394 C ALA A 25 -10.532 -1.152 -2.349 1.00 0.00 C ATOM 395 O ALA A 25 -11.192 -0.540 -3.186 1.00 0.00 O ATOM 396 CB ALA A 25 -11.119 -0.630 0.026 1.00 0.00 C ATOM 0 H ALA A 25 -9.906 -2.737 0.199 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.215 -1.899 -1.287 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.630 0.274 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.610 -1.017 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.080 -0.396 0.256 1.00 0.00 H new ATOM 402 N ALA A 26 -9.240 -1.412 -2.484 1.00 0.00 N ATOM 403 CA ALA A 26 -8.480 -0.998 -3.646 1.00 0.00 C ATOM 404 C ALA A 26 -9.082 -1.582 -4.922 1.00 0.00 C ATOM 405 O ALA A 26 -9.371 -0.858 -5.877 1.00 0.00 O ATOM 406 CB ALA A 26 -7.033 -1.421 -3.509 1.00 0.00 C ATOM 0 H ALA A 26 -8.692 -1.917 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.523 0.089 -3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.476 -1.102 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.602 -0.960 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.978 -2.506 -3.418 1.00 0.00 H new ATOM 412 N GLU A 27 -9.299 -2.897 -4.925 1.00 0.00 N ATOM 413 CA GLU A 27 -9.882 -3.569 -6.071 1.00 0.00 C ATOM 414 C GLU A 27 -11.338 -3.163 -6.244 1.00 0.00 C ATOM 415 O GLU A 27 -11.848 -3.113 -7.362 1.00 0.00 O ATOM 416 CB GLU A 27 -9.761 -5.084 -5.932 1.00 0.00 C ATOM 417 CG GLU A 27 -10.164 -5.620 -4.573 1.00 0.00 C ATOM 418 CD GLU A 27 -10.482 -7.099 -4.598 1.00 0.00 C ATOM 419 OE1 GLU A 27 -11.656 -7.450 -4.852 1.00 0.00 O ATOM 420 OE2 GLU A 27 -9.574 -7.920 -4.353 1.00 0.00 O ATOM 0 H GLU A 27 -9.077 -3.513 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.330 -3.265 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.380 -5.558 -6.694 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.730 -5.374 -6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.358 -5.438 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.035 -5.072 -4.215 1.00 0.00 H new ATOM 427 N GLU A 28 -11.996 -2.873 -5.128 1.00 0.00 N ATOM 428 CA GLU A 28 -13.363 -2.368 -5.142 1.00 0.00 C ATOM 429 C GLU A 28 -13.437 -1.090 -5.967 1.00 0.00 C ATOM 430 O GLU A 28 -14.364 -0.878 -6.753 1.00 0.00 O ATOM 431 CB GLU A 28 -13.814 -2.081 -3.713 1.00 0.00 C ATOM 432 CG GLU A 28 -15.237 -2.527 -3.406 1.00 0.00 C ATOM 433 CD GLU A 28 -16.279 -1.783 -4.214 1.00 0.00 C ATOM 434 OE1 GLU A 28 -16.737 -0.716 -3.759 1.00 0.00 O ATOM 435 OE2 GLU A 28 -16.644 -2.260 -5.309 1.00 0.00 O ATOM 0 H GLU A 28 -11.600 -2.980 -4.194 1.00 0.00 H new ATOM 0 HA GLU A 28 -14.017 -3.118 -5.587 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.133 -2.578 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.733 -1.010 -3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.327 -3.595 -3.603 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.436 -2.381 -2.344 1.00 0.00 H new ATOM 442 N ALA A 29 -12.442 -0.245 -5.771 1.00 0.00 N ATOM 443 CA ALA A 29 -12.344 1.026 -6.493 1.00 0.00 C ATOM 444 C ALA A 29 -12.114 0.822 -7.988 1.00 0.00 C ATOM 445 O ALA A 29 -12.496 1.665 -8.800 1.00 0.00 O ATOM 446 CB ALA A 29 -11.236 1.859 -5.910 1.00 0.00 C ATOM 0 H ALA A 29 -11.680 -0.411 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.296 1.545 -6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.167 2.803 -6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.444 2.057 -4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.292 1.321 -5.998 1.00 0.00 H new ATOM 452 N GLY A 30 -11.493 -0.291 -8.352 1.00 0.00 N ATOM 453 CA GLY A 30 -11.322 -0.604 -9.756 1.00 0.00 C ATOM 454 C GLY A 30 -9.874 -0.623 -10.196 1.00 0.00 C ATOM 455 O GLY A 30 -9.587 -0.544 -11.391 1.00 0.00 O ATOM 0 H GLY A 30 -11.107 -0.979 -7.705 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.769 -1.577 -9.961 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.866 0.128 -10.353 1.00 0.00 H new ATOM 459 N LEU A 31 -8.955 -0.723 -9.245 1.00 0.00 N ATOM 460 CA LEU A 31 -7.535 -0.733 -9.574 1.00 0.00 C ATOM 461 C LEU A 31 -7.128 -2.077 -10.156 1.00 0.00 C ATOM 462 O LEU A 31 -7.815 -3.083 -9.969 1.00 0.00 O ATOM 463 CB LEU A 31 -6.683 -0.476 -8.339 1.00 0.00 C ATOM 464 CG LEU A 31 -7.233 0.534 -7.339 1.00 0.00 C ATOM 465 CD1 LEU A 31 -6.197 0.800 -6.276 1.00 0.00 C ATOM 466 CD2 LEU A 31 -7.650 1.828 -8.012 1.00 0.00 C ATOM 0 H LEU A 31 -9.163 -0.798 -8.249 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.371 0.059 -10.305 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.535 -1.424 -7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.701 -0.134 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.127 0.110 -6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.588 1.522 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.958 -0.130 -5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.295 1.200 -6.739 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.036 2.520 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.788 2.274 -8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.426 1.621 -8.749 1.00 0.00 H new ATOM 478 N ASP A 32 -6.000 -2.087 -10.842 1.00 0.00 N ATOM 479 CA ASP A 32 -5.410 -3.324 -11.328 1.00 0.00 C ATOM 480 C ASP A 32 -4.225 -3.689 -10.440 1.00 0.00 C ATOM 481 O ASP A 32 -3.108 -3.911 -10.903 1.00 0.00 O ATOM 482 CB ASP A 32 -4.977 -3.170 -12.786 1.00 0.00 C ATOM 483 CG ASP A 32 -4.542 -4.481 -13.415 1.00 0.00 C ATOM 484 OD1 ASP A 32 -5.417 -5.319 -13.724 1.00 0.00 O ATOM 485 OD2 ASP A 32 -3.328 -4.670 -13.635 1.00 0.00 O ATOM 0 H ASP A 32 -5.470 -1.248 -11.077 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.147 -4.126 -11.286 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.802 -2.753 -13.363 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.156 -2.456 -12.842 1.00 0.00 H new ATOM 490 N LEU A 33 -4.478 -3.690 -9.143 1.00 0.00 N ATOM 491 CA LEU A 33 -3.472 -4.039 -8.161 1.00 0.00 C ATOM 492 C LEU A 33 -3.369 -5.556 -8.051 1.00 0.00 C ATOM 493 O LEU A 33 -4.374 -6.231 -7.831 1.00 0.00 O ATOM 494 CB LEU A 33 -3.853 -3.425 -6.814 1.00 0.00 C ATOM 495 CG LEU A 33 -2.697 -3.061 -5.884 1.00 0.00 C ATOM 496 CD1 LEU A 33 -3.209 -2.161 -4.776 1.00 0.00 C ATOM 497 CD2 LEU A 33 -2.048 -4.305 -5.291 1.00 0.00 C ATOM 0 H LEU A 33 -5.385 -3.449 -8.744 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.501 -3.648 -8.466 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.437 -2.524 -7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.505 -4.125 -6.291 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.938 -2.537 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.386 -1.899 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.628 -1.253 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.981 -2.683 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.229 -4.010 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.789 -4.864 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.661 -4.932 -6.095 1.00 0.00 H new ATOM 509 N PRO A 34 -2.163 -6.108 -8.233 1.00 0.00 N ATOM 510 CA PRO A 34 -1.924 -7.552 -8.124 1.00 0.00 C ATOM 511 C PRO A 34 -2.111 -8.071 -6.699 1.00 0.00 C ATOM 512 O PRO A 34 -1.435 -7.628 -5.772 1.00 0.00 O ATOM 513 CB PRO A 34 -0.461 -7.702 -8.556 1.00 0.00 C ATOM 514 CG PRO A 34 0.146 -6.370 -8.280 1.00 0.00 C ATOM 515 CD PRO A 34 -0.931 -5.373 -8.577 1.00 0.00 C ATOM 0 HA PRO A 34 -2.626 -8.125 -8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.040 -8.491 -7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.383 -7.963 -9.611 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.475 -6.296 -7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.022 -6.200 -8.906 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.820 -4.468 -7.980 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.921 -5.067 -9.623 1.00 0.00 H new ATOM 523 N TYR A 35 -3.019 -9.018 -6.532 1.00 0.00 N ATOM 524 CA TYR A 35 -3.256 -9.635 -5.232 1.00 0.00 C ATOM 525 C TYR A 35 -3.159 -11.152 -5.348 1.00 0.00 C ATOM 526 O TYR A 35 -3.549 -11.730 -6.363 1.00 0.00 O ATOM 527 CB TYR A 35 -4.623 -9.213 -4.667 1.00 0.00 C ATOM 528 CG TYR A 35 -5.722 -9.103 -5.705 1.00 0.00 C ATOM 529 CD1 TYR A 35 -6.201 -10.225 -6.372 1.00 0.00 C ATOM 530 CD2 TYR A 35 -6.274 -7.870 -6.021 1.00 0.00 C ATOM 531 CE1 TYR A 35 -7.198 -10.117 -7.323 1.00 0.00 C ATOM 532 CE2 TYR A 35 -7.268 -7.755 -6.971 1.00 0.00 C ATOM 533 CZ TYR A 35 -7.727 -8.879 -7.619 1.00 0.00 C ATOM 534 OH TYR A 35 -8.713 -8.766 -8.572 1.00 0.00 O ATOM 0 H TYR A 35 -3.608 -9.379 -7.282 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.490 -9.291 -4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.927 -9.934 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.515 -8.251 -4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.787 -11.196 -6.143 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.919 -6.985 -5.514 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.561 -10.998 -7.832 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.684 -6.786 -7.205 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.977 -7.826 -8.660 1.00 0.00 H new ATOM 544 N SER A 36 -2.609 -11.794 -4.326 1.00 0.00 N ATOM 545 CA SER A 36 -2.398 -13.235 -4.374 1.00 0.00 C ATOM 546 C SER A 36 -2.800 -13.920 -3.066 1.00 0.00 C ATOM 547 O SER A 36 -3.695 -14.763 -3.052 1.00 0.00 O ATOM 548 CB SER A 36 -0.929 -13.541 -4.681 1.00 0.00 C ATOM 549 OG SER A 36 -0.463 -12.781 -5.786 1.00 0.00 O ATOM 0 H SER A 36 -2.304 -11.346 -3.462 1.00 0.00 H new ATOM 0 HA SER A 36 -3.034 -13.629 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.319 -13.323 -3.804 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.814 -14.604 -4.893 1.00 0.00 H new ATOM 0 HG SER A 36 0.478 -12.996 -5.958 1.00 0.00 H new ATOM 555 N CYS A 37 -2.138 -13.557 -1.972 1.00 0.00 N ATOM 556 CA CYS A 37 -2.297 -14.276 -0.716 1.00 0.00 C ATOM 557 C CYS A 37 -3.304 -13.611 0.212 1.00 0.00 C ATOM 558 O CYS A 37 -3.919 -14.278 1.046 1.00 0.00 O ATOM 559 CB CYS A 37 -0.951 -14.376 -0.009 1.00 0.00 C ATOM 560 SG CYS A 37 -0.183 -12.768 0.299 1.00 0.00 S ATOM 0 H CYS A 37 -1.489 -12.771 -1.931 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.677 -15.269 -0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.085 -14.895 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.276 -14.984 -0.612 1.00 0.00 H new ATOM 565 N ARG A 38 -3.442 -12.287 0.079 1.00 0.00 N ATOM 566 CA ARG A 38 -4.343 -11.505 0.926 1.00 0.00 C ATOM 567 C ARG A 38 -3.832 -11.448 2.367 1.00 0.00 C ATOM 568 O ARG A 38 -4.595 -11.149 3.285 1.00 0.00 O ATOM 569 CB ARG A 38 -5.768 -12.086 0.892 1.00 0.00 C ATOM 570 CG ARG A 38 -6.627 -11.583 -0.258 1.00 0.00 C ATOM 571 CD ARG A 38 -7.329 -10.289 0.116 1.00 0.00 C ATOM 572 NE ARG A 38 -8.161 -9.755 -0.964 1.00 0.00 N ATOM 573 CZ ARG A 38 -9.297 -9.079 -0.762 1.00 0.00 C ATOM 574 NH1 ARG A 38 -9.795 -8.953 0.460 1.00 0.00 N ATOM 575 NH2 ARG A 38 -9.951 -8.544 -1.784 1.00 0.00 N ATOM 0 H ARG A 38 -2.936 -11.734 -0.613 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.371 -10.490 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.702 -13.172 0.832 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.266 -11.848 1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.005 -11.423 -1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.366 -12.339 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.951 -10.461 0.995 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.583 -9.545 0.394 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.857 -9.907 -1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.311 -9.373 1.254 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.662 -8.436 0.607 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.588 -8.647 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.817 -8.030 -1.622 1.00 0.00 H new ATOM 589 N ALA A 39 -2.539 -11.721 2.563 1.00 0.00 N ATOM 590 CA ALA A 39 -1.976 -11.756 3.913 1.00 0.00 C ATOM 591 C ALA A 39 -0.548 -11.205 3.981 1.00 0.00 C ATOM 592 O ALA A 39 -0.067 -10.865 5.061 1.00 0.00 O ATOM 593 CB ALA A 39 -2.007 -13.177 4.450 1.00 0.00 C ATOM 0 H ALA A 39 -1.873 -11.918 1.816 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.596 -11.107 4.531 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.586 -13.195 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.037 -13.532 4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.420 -13.825 3.799 1.00 0.00 H new ATOM 599 N GLY A 40 0.128 -11.112 2.843 1.00 0.00 N ATOM 600 CA GLY A 40 1.462 -10.536 2.832 1.00 0.00 C ATOM 601 C GLY A 40 2.559 -11.578 2.702 1.00 0.00 C ATOM 602 O GLY A 40 3.595 -11.484 3.367 1.00 0.00 O ATOM 0 H GLY A 40 -0.218 -11.421 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.540 -9.830 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.614 -9.969 3.751 1.00 0.00 H new ATOM 606 N ALA A 41 2.342 -12.560 1.836 1.00 0.00 N ATOM 607 CA ALA A 41 3.322 -13.616 1.607 1.00 0.00 C ATOM 608 C ALA A 41 4.348 -13.194 0.558 1.00 0.00 C ATOM 609 O ALA A 41 5.331 -13.894 0.313 1.00 0.00 O ATOM 610 CB ALA A 41 2.626 -14.902 1.184 1.00 0.00 C ATOM 0 H ALA A 41 1.493 -12.648 1.278 1.00 0.00 H new ATOM 0 HA ALA A 41 3.851 -13.796 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.370 -15.681 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.939 -15.219 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.069 -14.728 0.263 1.00 0.00 H new ATOM 616 N CYS A 42 4.104 -12.051 -0.063 1.00 0.00 N ATOM 617 CA CYS A 42 5.024 -11.483 -1.037 1.00 0.00 C ATOM 618 C CYS A 42 5.086 -9.969 -0.863 1.00 0.00 C ATOM 619 O CYS A 42 4.435 -9.417 0.027 1.00 0.00 O ATOM 620 CB CYS A 42 4.587 -11.852 -2.455 1.00 0.00 C ATOM 621 SG CYS A 42 2.853 -11.489 -2.820 1.00 0.00 S ATOM 0 H CYS A 42 3.265 -11.492 0.093 1.00 0.00 H new ATOM 0 HA CYS A 42 6.021 -11.893 -0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.215 -11.317 -3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.764 -12.916 -2.611 1.00 0.00 H new ATOM 626 N SER A 43 5.873 -9.298 -1.692 1.00 0.00 N ATOM 627 CA SER A 43 6.060 -7.862 -1.551 1.00 0.00 C ATOM 628 C SER A 43 5.910 -7.143 -2.889 1.00 0.00 C ATOM 629 O SER A 43 6.299 -5.984 -3.020 1.00 0.00 O ATOM 630 CB SER A 43 7.441 -7.575 -0.961 1.00 0.00 C ATOM 631 OG SER A 43 7.683 -8.375 0.186 1.00 0.00 O ATOM 0 H SER A 43 6.389 -9.721 -2.464 1.00 0.00 H new ATOM 0 HA SER A 43 5.287 -7.487 -0.880 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.208 -7.768 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.514 -6.521 -0.695 1.00 0.00 H new ATOM 0 HG SER A 43 8.603 -8.236 0.494 1.00 0.00 H new ATOM 637 N SER A 44 5.344 -7.821 -3.879 1.00 0.00 N ATOM 638 CA SER A 44 5.130 -7.214 -5.188 1.00 0.00 C ATOM 639 C SER A 44 3.878 -6.345 -5.176 1.00 0.00 C ATOM 640 O SER A 44 3.724 -5.423 -5.980 1.00 0.00 O ATOM 641 CB SER A 44 5.027 -8.295 -6.262 1.00 0.00 C ATOM 642 OG SER A 44 6.257 -8.988 -6.383 1.00 0.00 O ATOM 0 H SER A 44 5.026 -8.787 -3.802 1.00 0.00 H new ATOM 0 HA SER A 44 5.984 -6.577 -5.420 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.231 -8.995 -6.008 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.761 -7.843 -7.218 1.00 0.00 H new ATOM 0 HG SER A 44 6.985 -8.344 -6.507 1.00 0.00 H new ATOM 648 N CYS A 45 3.000 -6.640 -4.244 1.00 0.00 N ATOM 649 CA CYS A 45 1.776 -5.890 -4.056 1.00 0.00 C ATOM 650 C CYS A 45 1.983 -4.778 -3.037 1.00 0.00 C ATOM 651 O CYS A 45 1.029 -4.151 -2.573 1.00 0.00 O ATOM 652 CB CYS A 45 0.719 -6.867 -3.572 1.00 0.00 C ATOM 653 SG CYS A 45 1.441 -8.479 -3.191 1.00 0.00 S ATOM 0 H CYS A 45 3.115 -7.413 -3.589 1.00 0.00 H new ATOM 0 HA CYS A 45 1.466 -5.421 -4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.230 -6.466 -2.684 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.050 -6.982 -4.336 1.00 0.00 H new ATOM 658 N ALA A 46 3.238 -4.531 -2.686 1.00 0.00 N ATOM 659 CA ALA A 46 3.535 -3.568 -1.646 1.00 0.00 C ATOM 660 C ALA A 46 3.290 -2.146 -2.128 1.00 0.00 C ATOM 661 O ALA A 46 4.032 -1.622 -2.964 1.00 0.00 O ATOM 662 CB ALA A 46 4.968 -3.733 -1.156 1.00 0.00 C ATOM 0 H ALA A 46 4.054 -4.980 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 46 2.862 -3.757 -0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.172 -3.001 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.102 -4.738 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.657 -3.579 -1.987 1.00 0.00 H new ATOM 668 N GLY A 47 2.275 -1.512 -1.550 1.00 0.00 N ATOM 669 CA GLY A 47 1.919 -0.160 -1.921 1.00 0.00 C ATOM 670 C GLY A 47 2.870 0.849 -1.330 1.00 0.00 C ATOM 671 O GLY A 47 3.700 0.507 -0.496 1.00 0.00 O ATOM 0 H GLY A 47 1.688 -1.919 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.920 -0.068 -3.007 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.905 0.055 -1.584 1.00 0.00 H new ATOM 675 N LYS A 48 2.803 2.084 -1.778 1.00 0.00 N ATOM 676 CA LYS A 48 3.640 3.129 -1.218 1.00 0.00 C ATOM 677 C LYS A 48 2.782 4.202 -0.576 1.00 0.00 C ATOM 678 O LYS A 48 1.920 4.784 -1.221 1.00 0.00 O ATOM 679 CB LYS A 48 4.525 3.766 -2.293 1.00 0.00 C ATOM 680 CG LYS A 48 5.756 2.987 -2.688 1.00 0.00 C ATOM 681 CD LYS A 48 5.542 1.495 -2.668 1.00 0.00 C ATOM 682 CE LYS A 48 6.403 0.848 -1.613 1.00 0.00 C ATOM 683 NZ LYS A 48 6.533 -0.616 -1.843 1.00 0.00 N ATOM 0 H LYS A 48 2.181 2.391 -2.526 1.00 0.00 H new ATOM 0 HA LYS A 48 4.280 2.671 -0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.920 3.926 -3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.839 4.748 -1.941 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.066 3.290 -3.688 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.572 3.240 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.492 1.276 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.779 1.075 -3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.391 1.308 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.971 1.026 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.691 -1.097 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.661 -0.978 -2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.338 -0.798 -2.476 1.00 0.00 H new ATOM 697 N VAL A 49 3.024 4.462 0.692 1.00 0.00 N ATOM 698 CA VAL A 49 2.326 5.530 1.378 1.00 0.00 C ATOM 699 C VAL A 49 2.782 6.879 0.809 1.00 0.00 C ATOM 700 O VAL A 49 3.889 7.353 1.071 1.00 0.00 O ATOM 701 CB VAL A 49 2.505 5.453 2.935 1.00 0.00 C ATOM 702 CG1 VAL A 49 2.561 6.837 3.568 1.00 0.00 C ATOM 703 CG2 VAL A 49 1.352 4.687 3.554 1.00 0.00 C ATOM 0 H VAL A 49 3.695 3.952 1.266 1.00 0.00 H new ATOM 0 HA VAL A 49 1.256 5.418 1.201 1.00 0.00 H new ATOM 0 HB VAL A 49 3.449 4.943 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.685 6.739 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.403 7.392 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.635 7.371 3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.486 4.639 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.414 5.194 3.326 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.326 3.676 3.146 1.00 0.00 H new ATOM 713 N ALA A 50 1.945 7.448 -0.047 1.00 0.00 N ATOM 714 CA ALA A 50 2.208 8.746 -0.630 1.00 0.00 C ATOM 715 C ALA A 50 1.761 9.832 0.327 1.00 0.00 C ATOM 716 O ALA A 50 2.387 10.885 0.449 1.00 0.00 O ATOM 717 CB ALA A 50 1.451 8.862 -1.936 1.00 0.00 C ATOM 0 H ALA A 50 1.070 7.022 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 50 3.276 8.859 -0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.643 9.838 -2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.781 8.079 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.383 8.753 -1.748 1.00 0.00 H new ATOM 723 N ALA A 51 0.666 9.542 1.001 1.00 0.00 N ATOM 724 CA ALA A 51 0.052 10.457 1.934 1.00 0.00 C ATOM 725 C ALA A 51 -0.578 9.675 3.066 1.00 0.00 C ATOM 726 O ALA A 51 -0.720 8.456 2.962 1.00 0.00 O ATOM 727 CB ALA A 51 -1.016 11.258 1.225 1.00 0.00 C ATOM 0 H ALA A 51 0.174 8.653 0.913 1.00 0.00 H new ATOM 0 HA ALA A 51 0.810 11.131 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.480 11.949 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.566 11.821 0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.773 10.583 0.827 1.00 0.00 H new ATOM 733 N GLY A 52 -0.964 10.372 4.125 1.00 0.00 N ATOM 734 CA GLY A 52 -1.683 9.742 5.213 1.00 0.00 C ATOM 735 C GLY A 52 -0.904 8.618 5.861 1.00 0.00 C ATOM 736 O GLY A 52 0.324 8.582 5.786 1.00 0.00 O ATOM 0 H GLY A 52 -0.790 11.369 4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.923 10.493 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.630 9.352 4.839 1.00 0.00 H new ATOM 740 N THR A 53 -1.612 7.694 6.496 1.00 0.00 N ATOM 741 CA THR A 53 -0.969 6.563 7.136 1.00 0.00 C ATOM 742 C THR A 53 -1.783 5.294 6.972 1.00 0.00 C ATOM 743 O THR A 53 -2.973 5.332 6.640 1.00 0.00 O ATOM 744 CB THR A 53 -0.748 6.789 8.638 1.00 0.00 C ATOM 745 OG1 THR A 53 -2.004 7.051 9.287 1.00 0.00 O ATOM 746 CG2 THR A 53 0.207 7.942 8.882 1.00 0.00 C ATOM 0 H THR A 53 -2.628 7.708 6.580 1.00 0.00 H new ATOM 0 HA THR A 53 -0.004 6.459 6.641 1.00 0.00 H new ATOM 0 HB THR A 53 -0.306 5.884 9.055 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.372 6.213 9.638 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.345 8.079 9.954 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.168 7.723 8.418 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.205 8.854 8.450 1.00 0.00 H new ATOM 754 N VAL A 54 -1.128 4.180 7.237 1.00 0.00 N ATOM 755 CA VAL A 54 -1.730 2.865 7.156 1.00 0.00 C ATOM 756 C VAL A 54 -1.174 1.998 8.287 1.00 0.00 C ATOM 757 O VAL A 54 -0.184 2.370 8.922 1.00 0.00 O ATOM 758 CB VAL A 54 -1.403 2.188 5.822 1.00 0.00 C ATOM 759 CG1 VAL A 54 -1.926 2.999 4.647 1.00 0.00 C ATOM 760 CG2 VAL A 54 0.091 1.978 5.722 1.00 0.00 C ATOM 0 H VAL A 54 -0.148 4.164 7.519 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.811 2.975 7.239 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.902 1.219 5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.677 2.491 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.008 3.100 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.468 3.988 4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.328 1.496 4.773 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.598 2.941 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.425 1.345 6.544 1.00 0.00 H new ATOM 770 N ASP A 55 -1.792 0.858 8.540 1.00 0.00 N ATOM 771 CA ASP A 55 -1.294 -0.064 9.555 1.00 0.00 C ATOM 772 C ASP A 55 -0.499 -1.199 8.922 1.00 0.00 C ATOM 773 O ASP A 55 -1.070 -2.178 8.456 1.00 0.00 O ATOM 774 CB ASP A 55 -2.453 -0.646 10.367 1.00 0.00 C ATOM 775 CG ASP A 55 -2.001 -1.689 11.375 1.00 0.00 C ATOM 776 OD1 ASP A 55 -1.481 -1.302 12.442 1.00 0.00 O ATOM 777 OD2 ASP A 55 -2.170 -2.900 11.106 1.00 0.00 O ATOM 0 H ASP A 55 -2.637 0.546 8.061 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.636 0.499 10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.965 0.161 10.891 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.178 -1.094 9.687 1.00 0.00 H new ATOM 782 N GLN A 56 0.815 -1.042 8.876 1.00 0.00 N ATOM 783 CA GLN A 56 1.708 -2.112 8.449 1.00 0.00 C ATOM 784 C GLN A 56 2.936 -2.169 9.353 1.00 0.00 C ATOM 785 O GLN A 56 4.077 -2.128 8.891 1.00 0.00 O ATOM 786 CB GLN A 56 2.099 -1.940 6.983 1.00 0.00 C ATOM 787 CG GLN A 56 2.030 -0.513 6.516 1.00 0.00 C ATOM 788 CD GLN A 56 3.108 0.371 7.070 1.00 0.00 C ATOM 789 OE1 GLN A 56 2.991 0.916 8.164 1.00 0.00 O ATOM 790 NE2 GLN A 56 4.142 0.548 6.290 1.00 0.00 N ATOM 0 H GLN A 56 1.291 -0.177 9.131 1.00 0.00 H new ATOM 0 HA GLN A 56 1.182 -3.062 8.537 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.112 -2.315 6.837 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.441 -2.550 6.364 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.086 -0.496 5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.060 -0.099 6.792 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.189 0.071 5.390 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.901 1.164 6.582 1.00 0.00 H new ATOM 799 N SER A 57 2.680 -2.259 10.651 1.00 0.00 N ATOM 800 CA SER A 57 3.734 -2.262 11.654 1.00 0.00 C ATOM 801 C SER A 57 4.430 -3.624 11.713 1.00 0.00 C ATOM 802 O SER A 57 5.569 -3.727 12.169 1.00 0.00 O ATOM 803 CB SER A 57 3.144 -1.899 13.023 1.00 0.00 C ATOM 804 OG SER A 57 4.155 -1.753 14.008 1.00 0.00 O ATOM 0 H SER A 57 1.739 -2.332 11.037 1.00 0.00 H new ATOM 0 HA SER A 57 4.481 -1.518 11.378 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.579 -0.971 12.941 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.442 -2.673 13.334 1.00 0.00 H new ATOM 0 HG SER A 57 3.744 -1.520 14.867 1.00 0.00 H new ATOM 810 N ASP A 58 3.746 -4.664 11.252 1.00 0.00 N ATOM 811 CA ASP A 58 4.330 -6.001 11.212 1.00 0.00 C ATOM 812 C ASP A 58 4.518 -6.454 9.766 1.00 0.00 C ATOM 813 O ASP A 58 4.125 -7.552 9.377 1.00 0.00 O ATOM 814 CB ASP A 58 3.476 -7.006 12.010 1.00 0.00 C ATOM 815 CG ASP A 58 2.071 -7.212 11.461 1.00 0.00 C ATOM 816 OD1 ASP A 58 1.245 -6.277 11.550 1.00 0.00 O ATOM 817 OD2 ASP A 58 1.781 -8.323 10.962 1.00 0.00 O ATOM 0 H ASP A 58 2.790 -4.609 10.902 1.00 0.00 H new ATOM 0 HA ASP A 58 5.311 -5.963 11.686 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.990 -7.967 12.029 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.403 -6.663 13.042 1.00 0.00 H new ATOM 822 N GLN A 59 5.147 -5.596 8.974 1.00 0.00 N ATOM 823 CA GLN A 59 5.356 -5.867 7.559 1.00 0.00 C ATOM 824 C GLN A 59 6.758 -6.435 7.328 1.00 0.00 C ATOM 825 O GLN A 59 7.721 -6.013 7.971 1.00 0.00 O ATOM 826 CB GLN A 59 5.158 -4.583 6.754 1.00 0.00 C ATOM 827 CG GLN A 59 5.115 -4.809 5.255 1.00 0.00 C ATOM 828 CD GLN A 59 4.968 -3.525 4.465 1.00 0.00 C ATOM 829 OE1 GLN A 59 4.365 -2.557 4.922 1.00 0.00 O ATOM 830 NE2 GLN A 59 5.527 -3.507 3.263 1.00 0.00 N ATOM 0 H GLN A 59 5.523 -4.702 9.290 1.00 0.00 H new ATOM 0 HA GLN A 59 4.629 -6.608 7.226 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.230 -4.106 7.068 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.967 -3.890 6.986 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.027 -5.318 4.944 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.283 -5.472 5.017 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.020 -4.330 2.917 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.464 -2.670 2.684 1.00 0.00 H new ATOM 839 N SER A 60 6.863 -7.393 6.410 1.00 0.00 N ATOM 840 CA SER A 60 8.115 -8.104 6.166 1.00 0.00 C ATOM 841 C SER A 60 9.180 -7.189 5.553 1.00 0.00 C ATOM 842 O SER A 60 8.959 -6.583 4.503 1.00 0.00 O ATOM 843 CB SER A 60 7.858 -9.308 5.254 1.00 0.00 C ATOM 844 OG SER A 60 9.005 -10.138 5.151 1.00 0.00 O ATOM 0 H SER A 60 6.089 -7.696 5.819 1.00 0.00 H new ATOM 0 HA SER A 60 8.498 -8.450 7.126 1.00 0.00 H new ATOM 0 HB2 SER A 60 7.022 -9.888 5.643 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.570 -8.959 4.262 1.00 0.00 H new ATOM 0 HG SER A 60 8.808 -10.897 4.564 1.00 0.00 H new ATOM 850 N PHE A 61 10.324 -7.106 6.252 1.00 0.00 N ATOM 851 CA PHE A 61 11.511 -6.295 5.886 1.00 0.00 C ATOM 852 C PHE A 61 11.201 -4.837 5.501 1.00 0.00 C ATOM 853 O PHE A 61 12.091 -4.093 5.088 1.00 0.00 O ATOM 854 CB PHE A 61 12.415 -6.997 4.842 1.00 0.00 C ATOM 855 CG PHE A 61 11.819 -7.260 3.482 1.00 0.00 C ATOM 856 CD1 PHE A 61 11.096 -8.417 3.233 1.00 0.00 C ATOM 857 CD2 PHE A 61 12.015 -6.364 2.445 1.00 0.00 C ATOM 858 CE1 PHE A 61 10.576 -8.669 1.978 1.00 0.00 C ATOM 859 CE2 PHE A 61 11.495 -6.609 1.189 1.00 0.00 C ATOM 860 CZ PHE A 61 10.775 -7.763 0.955 1.00 0.00 C ATOM 0 H PHE A 61 10.459 -7.620 7.123 1.00 0.00 H new ATOM 0 HA PHE A 61 12.082 -6.223 6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 61 13.310 -6.390 4.707 1.00 0.00 H new ATOM 0 HB3 PHE A 61 12.737 -7.951 5.260 1.00 0.00 H new ATOM 0 HD1 PHE A 61 10.938 -9.129 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.582 -5.462 2.620 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.014 -9.574 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.652 -5.898 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.368 -7.957 -0.026 1.00 0.00 H new ATOM 870 N LEU A 62 9.952 -4.435 5.654 1.00 0.00 N ATOM 871 CA LEU A 62 9.555 -3.042 5.597 1.00 0.00 C ATOM 872 C LEU A 62 9.614 -2.490 7.016 1.00 0.00 C ATOM 873 O LEU A 62 8.801 -2.861 7.864 1.00 0.00 O ATOM 874 CB LEU A 62 8.130 -2.965 5.021 1.00 0.00 C ATOM 875 CG LEU A 62 7.531 -1.582 4.706 1.00 0.00 C ATOM 876 CD1 LEU A 62 7.424 -0.688 5.933 1.00 0.00 C ATOM 877 CD2 LEU A 62 8.314 -0.912 3.604 1.00 0.00 C ATOM 0 H LEU A 62 9.176 -5.076 5.823 1.00 0.00 H new ATOM 0 HA LEU A 62 10.213 -2.454 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.114 -3.549 4.101 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.462 -3.461 5.725 1.00 0.00 H new ATOM 0 HG LEU A 62 6.509 -1.745 4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.995 0.272 5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.784 -1.165 6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.416 -0.531 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.880 0.065 3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.350 -0.788 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.278 -1.528 2.706 1.00 0.00 H new ATOM 889 N ASP A 63 10.582 -1.630 7.285 1.00 0.00 N ATOM 890 CA ASP A 63 10.763 -1.105 8.634 1.00 0.00 C ATOM 891 C ASP A 63 10.024 0.212 8.811 1.00 0.00 C ATOM 892 O ASP A 63 9.492 0.758 7.846 1.00 0.00 O ATOM 893 CB ASP A 63 12.239 -0.923 8.965 1.00 0.00 C ATOM 894 CG ASP A 63 12.988 -2.236 9.065 1.00 0.00 C ATOM 895 OD1 ASP A 63 12.790 -2.972 10.057 1.00 0.00 O ATOM 896 OD2 ASP A 63 13.780 -2.542 8.150 1.00 0.00 O ATOM 0 H ASP A 63 11.250 -1.282 6.597 1.00 0.00 H new ATOM 0 HA ASP A 63 10.344 -1.836 9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.704 -0.303 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.331 -0.386 9.909 1.00 0.00 H new ATOM 901 N ASP A 64 10.001 0.727 10.033 1.00 0.00 N ATOM 902 CA ASP A 64 9.271 1.959 10.329 1.00 0.00 C ATOM 903 C ASP A 64 9.770 3.106 9.457 1.00 0.00 C ATOM 904 O ASP A 64 8.977 3.889 8.926 1.00 0.00 O ATOM 905 CB ASP A 64 9.414 2.326 11.805 1.00 0.00 C ATOM 906 CG ASP A 64 8.583 3.536 12.183 1.00 0.00 C ATOM 907 OD1 ASP A 64 7.413 3.358 12.574 1.00 0.00 O ATOM 908 OD2 ASP A 64 9.097 4.670 12.106 1.00 0.00 O ATOM 0 H ASP A 64 10.477 0.315 10.835 1.00 0.00 H new ATOM 0 HA ASP A 64 8.217 1.787 10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.114 1.477 12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.462 2.525 12.027 1.00 0.00 H new ATOM 913 N ALA A 65 11.087 3.174 9.288 1.00 0.00 N ATOM 914 CA ALA A 65 11.707 4.198 8.458 1.00 0.00 C ATOM 915 C ALA A 65 11.165 4.149 7.037 1.00 0.00 C ATOM 916 O ALA A 65 10.977 5.182 6.400 1.00 0.00 O ATOM 917 CB ALA A 65 13.217 4.034 8.448 1.00 0.00 C ATOM 0 H ALA A 65 11.748 2.527 9.718 1.00 0.00 H new ATOM 0 HA ALA A 65 11.462 5.170 8.885 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.663 4.808 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.599 4.124 9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.474 3.053 8.049 1.00 0.00 H new ATOM 923 N GLN A 66 10.900 2.944 6.546 1.00 0.00 N ATOM 924 CA GLN A 66 10.354 2.765 5.217 1.00 0.00 C ATOM 925 C GLN A 66 8.957 3.366 5.105 1.00 0.00 C ATOM 926 O GLN A 66 8.615 3.939 4.082 1.00 0.00 O ATOM 927 CB GLN A 66 10.303 1.286 4.878 1.00 0.00 C ATOM 928 CG GLN A 66 11.650 0.606 4.844 1.00 0.00 C ATOM 929 CD GLN A 66 12.431 0.906 3.586 1.00 0.00 C ATOM 930 OE1 GLN A 66 12.323 1.985 3.005 1.00 0.00 O ATOM 931 NE2 GLN A 66 13.218 -0.058 3.152 1.00 0.00 N ATOM 0 H GLN A 66 11.058 2.075 7.056 1.00 0.00 H new ATOM 0 HA GLN A 66 11.004 3.283 4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.673 0.780 5.609 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.824 1.165 3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.232 0.921 5.710 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.509 -0.471 4.929 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.278 -0.938 3.665 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.768 0.076 2.303 1.00 0.00 H new ATOM 940 N MET A 67 8.144 3.241 6.152 1.00 0.00 N ATOM 941 CA MET A 67 6.813 3.831 6.129 1.00 0.00 C ATOM 942 C MET A 67 6.916 5.349 6.188 1.00 0.00 C ATOM 943 O MET A 67 6.106 6.059 5.595 1.00 0.00 O ATOM 944 CB MET A 67 5.951 3.338 7.285 1.00 0.00 C ATOM 945 CG MET A 67 4.484 3.691 7.097 1.00 0.00 C ATOM 946 SD MET A 67 3.562 3.747 8.645 1.00 0.00 S ATOM 947 CE MET A 67 4.395 5.084 9.502 1.00 0.00 C ATOM 0 H MET A 67 8.380 2.745 7.011 1.00 0.00 H new ATOM 0 HA MET A 67 6.337 3.524 5.198 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.054 2.257 7.378 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.312 3.774 8.217 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.411 4.660 6.603 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.023 2.959 6.434 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.709 5.542 10.215 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.262 4.691 10.034 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.721 5.832 8.779 1.00 0.00 H new ATOM 957 N GLY A 68 7.919 5.838 6.910 1.00 0.00 N ATOM 958 CA GLY A 68 8.210 7.259 6.910 1.00 0.00 C ATOM 959 C GLY A 68 8.681 7.712 5.545 1.00 0.00 C ATOM 960 O GLY A 68 8.445 8.848 5.135 1.00 0.00 O ATOM 0 H GLY A 68 8.536 5.275 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.318 7.817 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.975 7.478 7.655 1.00 0.00 H new ATOM 964 N ASN A 69 9.349 6.800 4.848 1.00 0.00 N ATOM 965 CA ASN A 69 9.753 7.004 3.465 1.00 0.00 C ATOM 966 C ASN A 69 8.552 6.892 2.537 1.00 0.00 C ATOM 967 O ASN A 69 8.583 7.343 1.394 1.00 0.00 O ATOM 968 CB ASN A 69 10.787 5.947 3.075 1.00 0.00 C ATOM 969 CG ASN A 69 12.187 6.268 3.555 1.00 0.00 C ATOM 970 OD1 ASN A 69 12.561 7.430 3.696 1.00 0.00 O ATOM 971 ND2 ASN A 69 12.978 5.234 3.805 1.00 0.00 N ATOM 0 H ASN A 69 9.626 5.895 5.229 1.00 0.00 H new ATOM 0 HA ASN A 69 10.183 8.001 3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.483 4.984 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.798 5.843 1.990 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.934 5.389 4.126 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.631 4.284 3.676 1.00 0.00 H new ATOM 978 N GLY A 70 7.490 6.291 3.047 1.00 0.00 N ATOM 979 CA GLY A 70 6.273 6.147 2.281 1.00 0.00 C ATOM 980 C GLY A 70 6.158 4.792 1.620 1.00 0.00 C ATOM 981 O GLY A 70 5.643 4.681 0.517 1.00 0.00 O ATOM 0 H GLY A 70 7.450 5.897 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.416 6.301 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.235 6.924 1.517 1.00 0.00 H new ATOM 985 N PHE A 71 6.670 3.761 2.269 1.00 0.00 N ATOM 986 CA PHE A 71 6.645 2.419 1.702 1.00 0.00 C ATOM 987 C PHE A 71 5.870 1.467 2.609 1.00 0.00 C ATOM 988 O PHE A 71 6.116 1.410 3.811 1.00 0.00 O ATOM 989 CB PHE A 71 8.079 1.926 1.480 1.00 0.00 C ATOM 990 CG PHE A 71 8.923 2.871 0.658 1.00 0.00 C ATOM 991 CD1 PHE A 71 8.356 3.603 -0.368 1.00 0.00 C ATOM 992 CD2 PHE A 71 10.274 3.022 0.910 1.00 0.00 C ATOM 993 CE1 PHE A 71 9.111 4.467 -1.136 1.00 0.00 C ATOM 994 CE2 PHE A 71 11.043 3.883 0.148 1.00 0.00 C ATOM 995 CZ PHE A 71 10.460 4.605 -0.880 1.00 0.00 C ATOM 0 H PHE A 71 7.108 3.824 3.188 1.00 0.00 H new ATOM 0 HA PHE A 71 6.134 2.447 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.556 1.775 2.448 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.048 0.956 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.301 3.497 -0.573 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.734 2.462 1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.649 5.031 -1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.097 3.992 0.355 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.059 5.274 -1.480 1.00 0.00 H new ATOM 1005 N VAL A 72 4.923 0.731 2.020 1.00 0.00 N ATOM 1006 CA VAL A 72 3.949 -0.064 2.779 1.00 0.00 C ATOM 1007 C VAL A 72 3.548 -1.331 1.988 1.00 0.00 C ATOM 1008 O VAL A 72 4.086 -1.576 0.912 1.00 0.00 O ATOM 1009 CB VAL A 72 2.706 0.813 3.082 1.00 0.00 C ATOM 1010 CG1 VAL A 72 3.102 2.043 3.872 1.00 0.00 C ATOM 1011 CG2 VAL A 72 2.018 1.215 1.786 1.00 0.00 C ATOM 0 H VAL A 72 4.809 0.668 1.008 1.00 0.00 H new ATOM 0 HA VAL A 72 4.397 -0.388 3.718 1.00 0.00 H new ATOM 0 HB VAL A 72 2.008 0.229 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.217 2.646 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.558 1.739 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.817 2.631 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.147 1.830 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.712 1.783 1.166 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.701 0.321 1.250 1.00 0.00 H new ATOM 1021 N LEU A 73 2.684 -2.184 2.553 1.00 0.00 N ATOM 1022 CA LEU A 73 2.188 -3.373 1.833 1.00 0.00 C ATOM 1023 C LEU A 73 0.664 -3.431 1.872 1.00 0.00 C ATOM 1024 O LEU A 73 0.075 -3.272 2.922 1.00 0.00 O ATOM 1025 CB LEU A 73 2.767 -4.656 2.438 1.00 0.00 C ATOM 1026 CG LEU A 73 3.195 -5.737 1.435 1.00 0.00 C ATOM 1027 CD1 LEU A 73 3.939 -6.851 2.150 1.00 0.00 C ATOM 1028 CD2 LEU A 73 1.996 -6.306 0.692 1.00 0.00 C ATOM 0 H LEU A 73 2.314 -2.078 3.498 1.00 0.00 H new ATOM 0 HA LEU A 73 2.513 -3.293 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.631 -4.390 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.024 -5.085 3.110 1.00 0.00 H new ATOM 0 HG LEU A 73 3.858 -5.273 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.237 -7.611 1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.826 -6.443 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.289 -7.299 2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.332 -7.069 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.303 -6.750 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.493 -5.507 0.147 1.00 0.00 H new ATOM 1040 N THR A 74 0.026 -3.699 0.739 1.00 0.00 N ATOM 1041 CA THR A 74 -1.432 -3.649 0.664 1.00 0.00 C ATOM 1042 C THR A 74 -2.099 -4.896 1.257 1.00 0.00 C ATOM 1043 O THR A 74 -3.233 -4.822 1.730 1.00 0.00 O ATOM 1044 CB THR A 74 -1.908 -3.453 -0.785 1.00 0.00 C ATOM 1045 OG1 THR A 74 -1.381 -4.490 -1.618 1.00 0.00 O ATOM 1046 CG2 THR A 74 -1.472 -2.095 -1.314 1.00 0.00 C ATOM 0 H THR A 74 0.489 -3.951 -0.134 1.00 0.00 H new ATOM 0 HA THR A 74 -1.734 -2.791 1.265 1.00 0.00 H new ATOM 0 HB THR A 74 -2.997 -3.499 -0.799 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.478 -4.247 -1.912 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.819 -1.976 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.900 -1.308 -0.693 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.384 -2.026 -1.288 1.00 0.00 H new ATOM 1054 N CYS A 75 -1.406 -6.036 1.227 1.00 0.00 N ATOM 1055 CA CYS A 75 -1.952 -7.282 1.778 1.00 0.00 C ATOM 1056 C CYS A 75 -1.979 -7.273 3.305 1.00 0.00 C ATOM 1057 O CYS A 75 -2.737 -8.023 3.920 1.00 0.00 O ATOM 1058 CB CYS A 75 -1.150 -8.497 1.295 1.00 0.00 C ATOM 1059 SG CYS A 75 -1.660 -9.154 -0.313 1.00 0.00 S ATOM 0 H CYS A 75 -0.471 -6.124 0.830 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.978 -7.355 1.416 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.097 -8.221 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.235 -9.289 2.039 1.00 0.00 H new ATOM 1064 N VAL A 76 -1.165 -6.428 3.916 1.00 0.00 N ATOM 1065 CA VAL A 76 -1.055 -6.412 5.366 1.00 0.00 C ATOM 1066 C VAL A 76 -1.038 -4.970 5.892 1.00 0.00 C ATOM 1067 O VAL A 76 -0.305 -4.624 6.818 1.00 0.00 O ATOM 1068 CB VAL A 76 0.199 -7.207 5.829 1.00 0.00 C ATOM 1069 CG1 VAL A 76 1.487 -6.546 5.359 1.00 0.00 C ATOM 1070 CG2 VAL A 76 0.206 -7.414 7.339 1.00 0.00 C ATOM 0 H VAL A 76 -0.575 -5.749 3.435 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.931 -6.905 5.787 1.00 0.00 H new ATOM 0 HB VAL A 76 0.145 -8.191 5.362 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.341 -7.130 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.494 -6.496 4.270 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.549 -5.538 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.097 -7.973 7.625 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.209 -6.445 7.839 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.683 -7.972 7.634 1.00 0.00 H new ATOM 1080 N ALA A 77 -1.862 -4.123 5.291 1.00 0.00 N ATOM 1081 CA ALA A 77 -1.966 -2.742 5.728 1.00 0.00 C ATOM 1082 C ALA A 77 -3.279 -2.132 5.312 1.00 0.00 C ATOM 1083 O ALA A 77 -3.734 -2.321 4.187 1.00 0.00 O ATOM 1084 CB ALA A 77 -0.839 -1.894 5.179 1.00 0.00 C ATOM 0 H ALA A 77 -2.464 -4.368 4.505 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.902 -2.759 6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.952 -0.868 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.116 -2.291 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.868 -1.912 4.090 1.00 0.00 H new ATOM 1090 N TYR A 78 -3.878 -1.405 6.225 1.00 0.00 N ATOM 1091 CA TYR A 78 -5.043 -0.601 5.924 1.00 0.00 C ATOM 1092 C TYR A 78 -4.849 0.797 6.459 1.00 0.00 C ATOM 1093 O TYR A 78 -4.075 1.002 7.381 1.00 0.00 O ATOM 1094 CB TYR A 78 -6.309 -1.210 6.504 1.00 0.00 C ATOM 1095 CG TYR A 78 -6.152 -1.833 7.867 1.00 0.00 C ATOM 1096 CD1 TYR A 78 -6.033 -1.050 8.998 1.00 0.00 C ATOM 1097 CD2 TYR A 78 -6.129 -3.211 8.013 1.00 0.00 C ATOM 1098 CE1 TYR A 78 -5.892 -1.623 10.247 1.00 0.00 C ATOM 1099 CE2 TYR A 78 -5.996 -3.794 9.252 1.00 0.00 C ATOM 1100 CZ TYR A 78 -5.876 -2.996 10.371 1.00 0.00 C ATOM 1101 OH TYR A 78 -5.729 -3.571 11.614 1.00 0.00 O ATOM 0 H TYR A 78 -3.573 -1.353 7.197 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.158 -0.567 4.841 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.073 -0.435 6.562 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.677 -1.970 5.815 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.050 0.026 8.905 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.217 -3.838 7.138 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.795 -0.998 11.123 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -5.986 -4.870 9.348 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.739 -4.547 11.526 1.00 0.00 H new ATOM 1111 N PRO A 79 -5.555 1.770 5.894 1.00 0.00 N ATOM 1112 CA PRO A 79 -5.397 3.168 6.264 1.00 0.00 C ATOM 1113 C PRO A 79 -5.811 3.410 7.700 1.00 0.00 C ATOM 1114 O PRO A 79 -6.937 3.122 8.086 1.00 0.00 O ATOM 1115 CB PRO A 79 -6.335 3.902 5.306 1.00 0.00 C ATOM 1116 CG PRO A 79 -7.340 2.881 4.912 1.00 0.00 C ATOM 1117 CD PRO A 79 -6.603 1.580 4.889 1.00 0.00 C ATOM 0 HA PRO A 79 -4.362 3.502 6.194 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.807 4.757 5.790 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.797 4.284 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.167 2.851 5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.767 3.107 3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.255 0.744 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.184 1.372 3.905 1.00 0.00 H new ATOM 1125 N THR A 80 -4.887 3.899 8.500 1.00 0.00 N ATOM 1126 CA THR A 80 -5.223 4.317 9.849 1.00 0.00 C ATOM 1127 C THR A 80 -5.661 5.770 9.828 1.00 0.00 C ATOM 1128 O THR A 80 -6.129 6.313 10.828 1.00 0.00 O ATOM 1129 CB THR A 80 -4.040 4.124 10.811 1.00 0.00 C ATOM 1130 OG1 THR A 80 -2.821 4.555 10.183 1.00 0.00 O ATOM 1131 CG2 THR A 80 -3.922 2.664 11.224 1.00 0.00 C ATOM 0 H THR A 80 -3.906 4.017 8.245 1.00 0.00 H new ATOM 0 HA THR A 80 -6.040 3.694 10.213 1.00 0.00 H new ATOM 0 HB THR A 80 -4.216 4.726 11.703 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.072 4.431 10.803 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.079 2.546 11.905 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.839 2.352 11.724 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.763 2.047 10.339 1.00 0.00 H new ATOM 1139 N SER A 81 -5.501 6.383 8.663 1.00 0.00 N ATOM 1140 CA SER A 81 -6.003 7.722 8.402 1.00 0.00 C ATOM 1141 C SER A 81 -6.375 7.831 6.931 1.00 0.00 C ATOM 1142 O SER A 81 -6.131 6.904 6.156 1.00 0.00 O ATOM 1143 CB SER A 81 -4.946 8.773 8.718 1.00 0.00 C ATOM 1144 OG SER A 81 -4.278 8.502 9.942 1.00 0.00 O ATOM 0 H SER A 81 -5.017 5.962 7.870 1.00 0.00 H new ATOM 0 HA SER A 81 -6.872 7.897 9.036 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.218 8.810 7.908 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.415 9.755 8.770 1.00 0.00 H new ATOM 0 HG SER A 81 -3.464 7.987 9.763 1.00 0.00 H new ATOM 1150 N ASP A 82 -6.947 8.961 6.547 1.00 0.00 N ATOM 1151 CA ASP A 82 -7.253 9.220 5.154 1.00 0.00 C ATOM 1152 C ASP A 82 -5.949 9.502 4.430 1.00 0.00 C ATOM 1153 O ASP A 82 -5.175 10.355 4.864 1.00 0.00 O ATOM 1154 CB ASP A 82 -8.192 10.417 5.025 1.00 0.00 C ATOM 1155 CG ASP A 82 -9.545 10.192 5.671 1.00 0.00 C ATOM 1156 OD1 ASP A 82 -10.345 9.400 5.136 1.00 0.00 O ATOM 1157 OD2 ASP A 82 -9.815 10.821 6.719 1.00 0.00 O ATOM 0 H ASP A 82 -7.208 9.714 7.184 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.751 8.355 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.721 11.289 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.335 10.645 3.969 1.00 0.00 H new ATOM 1162 N CYS A 83 -5.686 8.793 3.349 1.00 0.00 N ATOM 1163 CA CYS A 83 -4.357 8.820 2.759 1.00 0.00 C ATOM 1164 C CYS A 83 -4.387 8.679 1.247 1.00 0.00 C ATOM 1165 O CYS A 83 -5.444 8.634 0.627 1.00 0.00 O ATOM 1166 CB CYS A 83 -3.534 7.692 3.375 1.00 0.00 C ATOM 1167 SG CYS A 83 -4.239 6.047 3.147 1.00 0.00 S ATOM 0 H CYS A 83 -6.361 8.200 2.866 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.907 9.790 2.971 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.534 7.709 2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.422 7.881 4.443 1.00 0.00 H new ATOM 0 HG CYS A 83 -3.466 5.163 3.703 1.00 0.00 H new ATOM 1173 N THR A 84 -3.199 8.645 0.676 1.00 0.00 N ATOM 1174 CA THR A 84 -2.999 8.414 -0.738 1.00 0.00 C ATOM 1175 C THR A 84 -1.885 7.402 -0.892 1.00 0.00 C ATOM 1176 O THR A 84 -0.780 7.633 -0.416 1.00 0.00 O ATOM 1177 CB THR A 84 -2.607 9.702 -1.475 1.00 0.00 C ATOM 1178 OG1 THR A 84 -3.721 10.605 -1.526 1.00 0.00 O ATOM 1179 CG2 THR A 84 -2.103 9.387 -2.881 1.00 0.00 C ATOM 0 H THR A 84 -2.330 8.780 1.193 1.00 0.00 H new ATOM 0 HA THR A 84 -3.932 8.053 -1.170 1.00 0.00 H new ATOM 0 HB THR A 84 -1.798 10.182 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.847 10.917 -2.446 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.831 10.314 -3.386 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.230 8.738 -2.818 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.889 8.884 -3.445 1.00 0.00 H new ATOM 1187 N ILE A 85 -2.160 6.289 -1.540 1.00 0.00 N ATOM 1188 CA ILE A 85 -1.244 5.170 -1.515 1.00 0.00 C ATOM 1189 C ILE A 85 -0.929 4.676 -2.916 1.00 0.00 C ATOM 1190 O ILE A 85 -1.797 4.231 -3.650 1.00 0.00 O ATOM 1191 CB ILE A 85 -1.786 3.992 -0.680 1.00 0.00 C ATOM 1192 CG1 ILE A 85 -2.104 4.419 0.773 1.00 0.00 C ATOM 1193 CG2 ILE A 85 -0.797 2.833 -0.710 1.00 0.00 C ATOM 1194 CD1 ILE A 85 -1.134 5.404 1.389 1.00 0.00 C ATOM 0 H ILE A 85 -3.007 6.136 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.332 5.540 -1.047 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.724 3.662 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.102 4.857 0.795 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.134 3.526 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.188 2.006 -0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.651 2.505 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.157 3.158 -0.294 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.448 5.636 2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.135 4.967 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.119 6.319 0.796 1.00 0.00 H new ATOM 1206 N GLN A 86 0.330 4.755 -3.256 1.00 0.00 N ATOM 1207 CA GLN A 86 0.842 4.285 -4.523 1.00 0.00 C ATOM 1208 C GLN A 86 0.781 2.765 -4.574 1.00 0.00 C ATOM 1209 O GLN A 86 0.862 2.105 -3.549 1.00 0.00 O ATOM 1210 CB GLN A 86 2.272 4.762 -4.616 1.00 0.00 C ATOM 1211 CG GLN A 86 2.565 5.715 -5.759 1.00 0.00 C ATOM 1212 CD GLN A 86 4.008 6.180 -5.781 1.00 0.00 C ATOM 1213 OE1 GLN A 86 4.551 6.486 -6.841 1.00 0.00 O ATOM 1214 NE2 GLN A 86 4.644 6.226 -4.621 1.00 0.00 N ATOM 0 H GLN A 86 1.046 5.156 -2.650 1.00 0.00 H new ATOM 0 HA GLN A 86 0.253 4.666 -5.357 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.535 5.253 -3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.922 3.892 -4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.332 5.224 -6.704 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.910 6.582 -5.680 1.00 0.00 H new ATOM 0 HE21 GLN A 86 4.159 5.964 -3.763 1.00 0.00 H new ATOM 0 HE22 GLN A 86 5.619 6.523 -4.585 1.00 0.00 H new ATOM 1223 N THR A 87 0.628 2.210 -5.762 1.00 0.00 N ATOM 1224 CA THR A 87 0.425 0.774 -5.891 1.00 0.00 C ATOM 1225 C THR A 87 1.691 0.000 -6.289 1.00 0.00 C ATOM 1226 O THR A 87 2.357 -0.603 -5.457 1.00 0.00 O ATOM 1227 CB THR A 87 -0.674 0.494 -6.930 1.00 0.00 C ATOM 1228 OG1 THR A 87 -0.381 1.193 -8.149 1.00 0.00 O ATOM 1229 CG2 THR A 87 -2.020 0.943 -6.414 1.00 0.00 C ATOM 0 H THR A 87 0.640 2.722 -6.644 1.00 0.00 H new ATOM 0 HA THR A 87 0.134 0.423 -4.901 1.00 0.00 H new ATOM 0 HB THR A 87 -0.704 -0.579 -7.117 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.217 0.545 -8.866 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.784 0.736 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.256 0.404 -5.497 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.993 2.013 -6.209 1.00 0.00 H new ATOM 1237 N HIS A 88 2.014 0.065 -7.572 1.00 0.00 N ATOM 1238 CA HIS A 88 2.975 -0.848 -8.217 1.00 0.00 C ATOM 1239 C HIS A 88 4.446 -0.552 -7.915 1.00 0.00 C ATOM 1240 O HIS A 88 5.333 -1.054 -8.603 1.00 0.00 O ATOM 1241 CB HIS A 88 2.764 -0.800 -9.725 1.00 0.00 C ATOM 1242 CG HIS A 88 1.539 -1.529 -10.190 1.00 0.00 C ATOM 1243 ND1 HIS A 88 0.255 -1.167 -9.828 1.00 0.00 N ATOM 1244 CD2 HIS A 88 1.409 -2.618 -10.982 1.00 0.00 C ATOM 1245 CE1 HIS A 88 -0.605 -2.007 -10.376 1.00 0.00 C ATOM 1246 NE2 HIS A 88 0.069 -2.895 -11.080 1.00 0.00 N ATOM 0 H HIS A 88 1.618 0.756 -8.210 1.00 0.00 H new ATOM 0 HA HIS A 88 2.775 -1.836 -7.802 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.697 0.241 -10.040 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.638 -1.226 -10.218 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.212 -3.168 -11.451 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.679 -1.972 -10.266 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.340 -3.664 -11.612 1.00 0.00 H new ATOM 1255 N GLN A 89 4.711 0.231 -6.893 1.00 0.00 N ATOM 1256 CA GLN A 89 6.079 0.643 -6.588 1.00 0.00 C ATOM 1257 C GLN A 89 6.701 -0.255 -5.524 1.00 0.00 C ATOM 1258 O GLN A 89 7.420 0.213 -4.645 1.00 0.00 O ATOM 1259 CB GLN A 89 6.136 2.112 -6.172 1.00 0.00 C ATOM 1260 CG GLN A 89 4.781 2.788 -6.198 1.00 0.00 C ATOM 1261 CD GLN A 89 4.351 3.159 -7.606 1.00 0.00 C ATOM 1262 OE1 GLN A 89 5.176 3.478 -8.459 1.00 0.00 O ATOM 1263 NE2 GLN A 89 3.058 3.083 -7.864 1.00 0.00 N ATOM 0 H GLN A 89 4.005 0.599 -6.255 1.00 0.00 H new ATOM 0 HA GLN A 89 6.667 0.535 -7.499 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.552 2.183 -5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.815 2.646 -6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.038 2.125 -5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.813 3.686 -5.581 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.406 2.814 -7.127 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.712 3.293 -8.800 1.00 0.00 H new ATOM 1272 N GLU A 90 6.378 -1.544 -5.590 1.00 0.00 N ATOM 1273 CA GLU A 90 6.905 -2.545 -4.661 1.00 0.00 C ATOM 1274 C GLU A 90 8.398 -2.350 -4.381 1.00 0.00 C ATOM 1275 O GLU A 90 8.818 -2.309 -3.220 1.00 0.00 O ATOM 1276 CB GLU A 90 6.692 -3.943 -5.230 1.00 0.00 C ATOM 1277 CG GLU A 90 7.208 -4.113 -6.652 1.00 0.00 C ATOM 1278 CD GLU A 90 7.118 -5.536 -7.156 1.00 0.00 C ATOM 1279 OE1 GLU A 90 7.934 -6.380 -6.720 1.00 0.00 O ATOM 1280 OE2 GLU A 90 6.239 -5.817 -7.992 1.00 0.00 O ATOM 0 H GLU A 90 5.742 -1.927 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 90 6.364 -2.424 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.188 -4.667 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.627 -4.175 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.640 -3.463 -7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.246 -3.785 -6.696 1.00 0.00 H new ATOM 1287 N GLU A 91 9.161 -2.175 -5.457 1.00 0.00 N ATOM 1288 CA GLU A 91 10.617 -2.040 -5.420 1.00 0.00 C ATOM 1289 C GLU A 91 11.066 -0.988 -4.412 1.00 0.00 C ATOM 1290 O GLU A 91 12.173 -1.051 -3.887 1.00 0.00 O ATOM 1291 CB GLU A 91 11.136 -1.705 -6.822 1.00 0.00 C ATOM 1292 CG GLU A 91 12.645 -1.553 -6.918 1.00 0.00 C ATOM 1293 CD GLU A 91 13.147 -1.800 -8.323 1.00 0.00 C ATOM 1294 OE1 GLU A 91 13.174 -2.975 -8.751 1.00 0.00 O ATOM 1295 OE2 GLU A 91 13.502 -0.828 -9.013 1.00 0.00 O ATOM 0 H GLU A 91 8.777 -2.122 -6.400 1.00 0.00 H new ATOM 0 HA GLU A 91 11.039 -2.991 -5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.818 -2.489 -7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.669 -0.779 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.930 -0.550 -6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.125 -2.252 -6.233 1.00 0.00 H new ATOM 1302 N ALA A 92 10.199 -0.019 -4.161 1.00 0.00 N ATOM 1303 CA ALA A 92 10.547 1.144 -3.359 1.00 0.00 C ATOM 1304 C ALA A 92 11.050 0.747 -1.966 1.00 0.00 C ATOM 1305 O ALA A 92 11.956 1.371 -1.433 1.00 0.00 O ATOM 1306 CB ALA A 92 9.351 2.065 -3.253 1.00 0.00 C ATOM 0 H ALA A 92 9.239 -0.016 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 92 11.364 1.667 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.614 2.935 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.052 2.389 -4.250 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.524 1.535 -2.781 1.00 0.00 H new ATOM 1312 N LEU A 93 10.468 -0.291 -1.377 1.00 0.00 N ATOM 1313 CA LEU A 93 10.914 -0.758 -0.071 1.00 0.00 C ATOM 1314 C LEU A 93 12.198 -1.574 -0.211 1.00 0.00 C ATOM 1315 O LEU A 93 13.041 -1.592 0.686 1.00 0.00 O ATOM 1316 CB LEU A 93 9.808 -1.591 0.596 1.00 0.00 C ATOM 1317 CG LEU A 93 10.120 -3.065 0.828 1.00 0.00 C ATOM 1318 CD1 LEU A 93 10.756 -3.252 2.194 1.00 0.00 C ATOM 1319 CD2 LEU A 93 8.861 -3.905 0.697 1.00 0.00 C ATOM 0 H LEU A 93 9.694 -0.820 -1.778 1.00 0.00 H new ATOM 0 HA LEU A 93 11.126 0.104 0.561 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.570 -1.136 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.911 -1.524 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 93 10.826 -3.399 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.976 -4.308 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.681 -2.677 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.069 -2.905 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.104 -4.954 0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.128 -3.579 1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.446 -3.785 -0.304 1.00 0.00 H new ATOM 1331 N TYR A 94 12.342 -2.236 -1.350 1.00 0.00 N ATOM 1332 CA TYR A 94 13.467 -3.130 -1.580 1.00 0.00 C ATOM 1333 C TYR A 94 14.738 -2.335 -1.866 1.00 0.00 C ATOM 1334 O TYR A 94 15.828 -2.693 -1.418 1.00 0.00 O ATOM 1335 CB TYR A 94 13.143 -4.082 -2.731 1.00 0.00 C ATOM 1336 CG TYR A 94 14.260 -5.036 -3.079 1.00 0.00 C ATOM 1337 CD1 TYR A 94 14.664 -6.023 -2.189 1.00 0.00 C ATOM 1338 CD2 TYR A 94 14.914 -4.945 -4.298 1.00 0.00 C ATOM 1339 CE1 TYR A 94 15.688 -6.894 -2.508 1.00 0.00 C ATOM 1340 CE2 TYR A 94 15.939 -5.811 -4.625 1.00 0.00 C ATOM 1341 CZ TYR A 94 16.322 -6.782 -3.727 1.00 0.00 C ATOM 1342 OH TYR A 94 17.344 -7.646 -4.049 1.00 0.00 O ATOM 0 H TYR A 94 11.691 -2.170 -2.132 1.00 0.00 H new ATOM 0 HA TYR A 94 13.642 -3.719 -0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 94 12.255 -4.659 -2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 94 12.894 -3.494 -3.615 1.00 0.00 H new ATOM 0 HD1 TYR A 94 14.170 -6.111 -1.233 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.617 -4.184 -5.004 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.990 -7.658 -1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.437 -5.727 -5.580 1.00 0.00 H new ATOM 0 HH TYR A 94 17.683 -7.433 -4.944 1.00 0.00 H new ATOM 1352 N GLU A 95 14.585 -1.261 -2.615 1.00 0.00 N ATOM 1353 CA GLU A 95 15.678 -0.335 -2.863 1.00 0.00 C ATOM 1354 C GLU A 95 15.270 1.064 -2.425 1.00 0.00 C ATOM 1355 O GLU A 95 15.729 1.560 -1.395 1.00 0.00 O ATOM 1356 CB GLU A 95 16.065 -0.335 -4.342 1.00 0.00 C ATOM 1357 CG GLU A 95 16.560 -1.679 -4.845 1.00 0.00 C ATOM 1358 CD GLU A 95 17.074 -1.610 -6.268 1.00 0.00 C ATOM 1359 OE1 GLU A 95 17.899 -0.720 -6.561 1.00 0.00 O ATOM 1360 OE2 GLU A 95 16.666 -2.451 -7.096 1.00 0.00 O ATOM 0 H GLU A 95 13.707 -1.005 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 95 16.546 -0.655 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.202 -0.031 -4.934 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.842 0.412 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.355 -2.038 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.749 -2.406 -4.789 1.00 0.00 H new ATOM 1367 N ASN A 96 14.390 1.676 -3.213 1.00 0.00 N ATOM 1368 CA ASN A 96 13.813 2.987 -2.892 1.00 0.00 C ATOM 1369 C ASN A 96 12.911 3.449 -4.004 1.00 0.00 C ATOM 1370 O ASN A 96 11.912 4.132 -3.773 1.00 0.00 O ATOM 1371 CB ASN A 96 14.872 4.070 -2.672 1.00 0.00 C ATOM 1372 CG ASN A 96 14.508 5.001 -1.531 1.00 0.00 C ATOM 1373 OD1 ASN A 96 14.842 4.746 -0.372 1.00 0.00 O ATOM 1374 ND2 ASN A 96 13.834 6.095 -1.849 1.00 0.00 N ATOM 0 H ASN A 96 14.054 1.281 -4.092 1.00 0.00 H new ATOM 0 HA ASN A 96 13.259 2.848 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 96 15.833 3.600 -2.463 1.00 0.00 H new ATOM 0 HB3 ASN A 96 14.993 4.649 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.573 6.762 -1.123 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.576 6.271 -2.820 1.00 0.00 H new ATOM 1381 N LEU A 97 13.275 3.042 -5.202 1.00 0.00 N ATOM 1382 CA LEU A 97 12.690 3.545 -6.431 1.00 0.00 C ATOM 1383 C LEU A 97 12.993 5.018 -6.590 1.00 0.00 C ATOM 1384 O LEU A 97 13.857 5.398 -7.381 1.00 0.00 O ATOM 1385 CB LEU A 97 11.182 3.276 -6.481 1.00 0.00 C ATOM 1386 CG LEU A 97 10.862 1.877 -6.954 1.00 0.00 C ATOM 1387 CD1 LEU A 97 9.371 1.625 -6.942 1.00 0.00 C ATOM 1388 CD2 LEU A 97 11.427 1.635 -8.347 1.00 0.00 C ATOM 0 H LEU A 97 13.999 2.340 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 97 13.139 3.011 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.756 3.428 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.709 3.999 -7.146 1.00 0.00 H new ATOM 0 HG LEU A 97 11.332 1.178 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.171 0.611 -7.287 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.990 1.745 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.876 2.337 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.185 0.622 -8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.992 2.350 -9.045 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.510 1.760 -8.327 1.00 0.00 H new ATOM 1400 N TYR A 98 12.305 5.796 -5.773 1.00 0.00 N ATOM 1401 CA TYR A 98 12.412 7.260 -5.718 1.00 0.00 C ATOM 1402 C TYR A 98 11.077 7.838 -5.260 1.00 0.00 C ATOM 1403 O TYR A 98 11.006 8.955 -4.749 1.00 0.00 O ATOM 1404 CB TYR A 98 12.768 7.871 -7.085 1.00 0.00 C ATOM 1405 CG TYR A 98 12.999 9.366 -7.057 1.00 0.00 C ATOM 1406 CD1 TYR A 98 14.159 9.898 -6.508 1.00 0.00 C ATOM 1407 CD2 TYR A 98 12.057 10.245 -7.575 1.00 0.00 C ATOM 1408 CE1 TYR A 98 14.374 11.263 -6.478 1.00 0.00 C ATOM 1409 CE2 TYR A 98 12.265 11.610 -7.551 1.00 0.00 C ATOM 1410 CZ TYR A 98 13.425 12.114 -7.000 1.00 0.00 C ATOM 1411 OH TYR A 98 13.635 13.477 -6.972 1.00 0.00 O ATOM 0 H TYR A 98 11.632 5.423 -5.104 1.00 0.00 H new ATOM 0 HA TYR A 98 13.212 7.506 -5.020 1.00 0.00 H new ATOM 0 HB2 TYR A 98 13.666 7.383 -7.465 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.964 7.652 -7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 98 14.905 9.234 -6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.146 9.854 -8.004 1.00 0.00 H new ATOM 0 HE1 TYR A 98 15.281 11.660 -6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 98 11.523 12.279 -7.961 1.00 0.00 H new ATOM 0 HH TYR A 98 12.871 13.934 -7.381 1.00 0.00 H new ATOM 1421 N PHE A 99 10.026 7.049 -5.446 1.00 0.00 N ATOM 1422 CA PHE A 99 8.657 7.506 -5.240 1.00 0.00 C ATOM 1423 C PHE A 99 8.330 7.723 -3.763 1.00 0.00 C ATOM 1424 O PHE A 99 7.841 6.819 -3.083 1.00 0.00 O ATOM 1425 CB PHE A 99 7.677 6.498 -5.835 1.00 0.00 C ATOM 1426 CG PHE A 99 7.927 6.180 -7.279 1.00 0.00 C ATOM 1427 CD1 PHE A 99 7.921 7.181 -8.233 1.00 0.00 C ATOM 1428 CD2 PHE A 99 8.152 4.877 -7.684 1.00 0.00 C ATOM 1429 CE1 PHE A 99 8.135 6.889 -9.564 1.00 0.00 C ATOM 1430 CE2 PHE A 99 8.368 4.577 -9.014 1.00 0.00 C ATOM 1431 CZ PHE A 99 8.359 5.585 -9.956 1.00 0.00 C ATOM 0 H PHE A 99 10.098 6.076 -5.743 1.00 0.00 H new ATOM 0 HA PHE A 99 8.561 8.468 -5.744 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.726 5.575 -5.257 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.664 6.887 -5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.747 8.204 -7.932 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.159 4.084 -6.951 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.127 7.680 -10.299 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.544 3.555 -9.317 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.527 5.354 -10.998 1.00 0.00 H new ATOM 1441 N GLN A 100 8.594 8.926 -3.281 1.00 0.00 N ATOM 1442 CA GLN A 100 8.228 9.315 -1.929 1.00 0.00 C ATOM 1443 C GLN A 100 7.526 10.671 -1.948 1.00 0.00 C ATOM 1444 O GLN A 100 8.135 11.678 -1.536 1.00 0.00 O ATOM 1445 CB GLN A 100 9.467 9.351 -1.024 1.00 0.00 C ATOM 1446 CG GLN A 100 10.658 10.077 -1.630 1.00 0.00 C ATOM 1447 CD GLN A 100 11.776 10.297 -0.632 1.00 0.00 C ATOM 1448 OE1 GLN A 100 11.535 10.447 0.567 1.00 0.00 O ATOM 1449 NE2 GLN A 100 13.008 10.315 -1.116 1.00 0.00 N ATOM 1450 OXT GLN A 100 6.370 10.734 -2.425 1.00 0.00 O ATOM 0 H GLN A 100 9.066 9.657 -3.813 1.00 0.00 H new ATOM 0 HA GLN A 100 7.539 8.575 -1.523 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.202 9.833 -0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 100 9.761 8.328 -0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.038 9.502 -2.475 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.331 11.040 -2.022 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.165 10.187 -2.116 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.800 10.457 -0.489 1.00 0.00 H new TER 1459 GLN A 100 HETATM 1460 FE1 FES A 201 1.503 -12.427 -1.218 1.00 0.00 FE HETATM 1461 FE2 FES A 201 0.188 -9.565 -1.610 1.00 0.00 FE HETATM 1462 S1 FES A 201 -0.119 -11.576 -2.428 1.00 0.00 S HETATM 1463 S2 FES A 201 1.652 -10.461 -0.248 1.00 0.00 S