USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 813 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 25 SER OG : rot 28:sc= 0.965 USER MOD Set 1.2: A 84 THR OG1 : rot -41:sc= 1.14 USER MOD Single : A 1 SER N :NH3+ 153:sc= 0.241 (180deg=0.00882) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0952 USER MOD Single : A 3 THR OG1 : rot -30:sc= 0.696 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 162:sc= 0.227 USER MOD Single : A 19 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.05) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0785 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 1.22 K(o=1.2,f=-0.027) USER MOD Single : A 33 SER OG : rot -135:sc= 0.887 USER MOD Single : A 35 MET CE :methyl -153:sc= -2.1 (180deg=-4.63!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -130:sc= -0.658 (180deg=-1.5) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.416 USER MOD Single : A 41 SER OG : rot -45:sc= 0.00782 USER MOD Single : A 42 GLN :FLIP amide:sc= -1.55 F(o=-4.8!,f=-1.5) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.55) USER MOD Single : A 54 GLN : amide:sc= -1.91 K(o=-1.9,f=-5!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.72 X(o=-2.7,f=-2.6) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.309 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -91:sc= 0.994 USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0503) USER MOD Single : A 91 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.42) USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= -0.0138 (180deg=-0.187) USER MOD Single : A 103 GLN : amide:sc= -5.45 K(o=-5.5,f=-7.6!) USER MOD Single : A 105 MET CE :methyl 179:sc= -4.32! (180deg=-4.37!) USER MOD Single : A 107 GLN : amide:sc= -3.61 K(o=-3.6,f=-6.3!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.915 0.814 -3.184 1.00 0.00 N ATOM 2 CA SER A 1 4.163 -0.289 -2.263 1.00 0.00 C ATOM 3 C SER A 1 3.903 -1.631 -2.939 1.00 0.00 C ATOM 4 O SER A 1 3.717 -1.702 -4.155 1.00 0.00 O ATOM 5 CB SER A 1 3.281 -0.151 -1.020 1.00 0.00 C ATOM 6 OG SER A 1 3.111 1.209 -0.664 1.00 0.00 O ATOM 0 H1 SER A 1 3.648 1.663 -2.645 1.00 0.00 H new ATOM 0 H2 SER A 1 4.777 1.009 -3.732 1.00 0.00 H new ATOM 0 H3 SER A 1 3.143 0.558 -3.832 1.00 0.00 H new ATOM 0 HA SER A 1 5.210 -0.251 -1.963 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.308 -0.605 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.731 -0.694 -0.189 1.00 0.00 H new ATOM 0 HG SER A 1 2.542 1.270 0.132 1.00 0.00 H new ATOM 12 N LEU A 2 3.892 -2.695 -2.144 1.00 0.00 N ATOM 13 CA LEU A 2 3.654 -4.037 -2.664 1.00 0.00 C ATOM 14 C LEU A 2 2.393 -4.642 -2.055 1.00 0.00 C ATOM 15 O LEU A 2 2.003 -4.299 -0.938 1.00 0.00 O ATOM 16 CB LEU A 2 4.856 -4.938 -2.375 1.00 0.00 C ATOM 17 CG LEU A 2 4.936 -6.232 -3.185 1.00 0.00 C ATOM 18 CD1 LEU A 2 5.350 -5.940 -4.619 1.00 0.00 C ATOM 19 CD2 LEU A 2 5.905 -7.209 -2.536 1.00 0.00 C ATOM 0 H LEU A 2 4.045 -2.655 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 2 3.514 -3.962 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.766 -4.365 -2.554 1.00 0.00 H new ATOM 0 HB3 LEU A 2 4.845 -5.196 -1.316 1.00 0.00 H new ATOM 0 HG LEU A 2 3.947 -6.690 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.402 -6.873 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.618 -5.278 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.328 -5.459 -4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.949 -8.124 -3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.897 -6.760 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 2 5.564 -7.444 -1.528 1.00 0.00 H new ATOM 31 N THR A 3 1.760 -5.547 -2.795 1.00 0.00 N ATOM 32 CA THR A 3 0.545 -6.201 -2.328 1.00 0.00 C ATOM 33 C THR A 3 -0.477 -5.180 -1.840 1.00 0.00 C ATOM 34 O THR A 3 -1.145 -5.391 -0.828 1.00 0.00 O ATOM 35 CB THR A 3 0.843 -7.196 -1.190 1.00 0.00 C ATOM 36 OG1 THR A 3 1.046 -6.488 0.038 1.00 0.00 O ATOM 37 CG2 THR A 3 2.074 -8.030 -1.510 1.00 0.00 C ATOM 0 H THR A 3 2.069 -5.843 -3.721 1.00 0.00 H new ATOM 0 HA THR A 3 0.134 -6.745 -3.178 1.00 0.00 H new ATOM 0 HB THR A 3 -0.012 -7.864 -1.087 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.420 -5.603 -0.153 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.265 -8.725 -0.693 1.00 0.00 H new ATOM 0 HG22 THR A 3 1.905 -8.589 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.935 -7.374 -1.637 1.00 0.00 H new ATOM 45 N ASP A 4 -0.593 -4.073 -2.566 1.00 0.00 N ATOM 46 CA ASP A 4 -1.535 -3.019 -2.208 1.00 0.00 C ATOM 47 C ASP A 4 -2.960 -3.414 -2.582 1.00 0.00 C ATOM 48 O ASP A 4 -3.793 -3.666 -1.711 1.00 0.00 O ATOM 49 CB ASP A 4 -1.156 -1.710 -2.902 1.00 0.00 C ATOM 50 CG ASP A 4 -1.870 -0.512 -2.307 1.00 0.00 C ATOM 51 OD1 ASP A 4 -3.078 -0.348 -2.575 1.00 0.00 O ATOM 52 OD2 ASP A 4 -1.219 0.262 -1.573 1.00 0.00 O ATOM 0 H ASP A 4 -0.046 -3.883 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.489 -2.875 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.079 -1.561 -2.828 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -1.395 -1.782 -3.963 1.00 0.00 H new ATOM 57 N ILE A 5 -3.232 -3.464 -3.881 1.00 0.00 N ATOM 58 CA ILE A 5 -4.557 -3.828 -4.370 1.00 0.00 C ATOM 59 C ILE A 5 -4.922 -5.251 -3.962 1.00 0.00 C ATOM 60 O ILE A 5 -6.099 -5.597 -3.859 1.00 0.00 O ATOM 61 CB ILE A 5 -4.644 -3.708 -5.903 1.00 0.00 C ATOM 62 CG1 ILE A 5 -6.067 -3.340 -6.328 1.00 0.00 C ATOM 63 CG2 ILE A 5 -4.208 -5.008 -6.562 1.00 0.00 C ATOM 64 CD1 ILE A 5 -6.303 -1.849 -6.424 1.00 0.00 C ATOM 0 H ILE A 5 -2.554 -3.257 -4.614 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.262 -3.130 -3.918 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.971 -2.915 -6.229 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.278 -3.796 -7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.772 -3.766 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.275 -4.907 -7.645 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.179 -5.231 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.858 -5.819 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.332 -1.663 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.124 -1.389 -5.452 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.622 -1.420 -7.159 1.00 0.00 H new ATOM 76 N LEU A 6 -3.904 -6.073 -3.728 1.00 0.00 N ATOM 77 CA LEU A 6 -4.117 -7.460 -3.328 1.00 0.00 C ATOM 78 C LEU A 6 -3.694 -7.680 -1.879 1.00 0.00 C ATOM 79 O LEU A 6 -3.365 -6.731 -1.167 1.00 0.00 O ATOM 80 CB LEU A 6 -3.338 -8.402 -4.247 1.00 0.00 C ATOM 81 CG LEU A 6 -4.170 -9.419 -5.028 1.00 0.00 C ATOM 82 CD1 LEU A 6 -4.897 -8.742 -6.180 1.00 0.00 C ATOM 83 CD2 LEU A 6 -3.289 -10.548 -5.541 1.00 0.00 C ATOM 0 H LEU A 6 -2.924 -5.803 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.182 -7.677 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.776 -7.799 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.610 -8.945 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.915 -9.844 -4.355 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.484 -9.482 -6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.559 -7.970 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.169 -8.289 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.898 -11.262 -6.094 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.521 -10.140 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.815 -11.052 -4.698 1.00 0.00 H new ATOM 95 N SER A 7 -3.703 -8.938 -1.450 1.00 0.00 N ATOM 96 CA SER A 7 -3.323 -9.282 -0.085 1.00 0.00 C ATOM 97 C SER A 7 -1.942 -9.931 -0.054 1.00 0.00 C ATOM 98 O SER A 7 -1.602 -10.768 -0.890 1.00 0.00 O ATOM 99 CB SER A 7 -4.356 -10.226 0.533 1.00 0.00 C ATOM 100 OG SER A 7 -4.599 -9.899 1.890 1.00 0.00 O ATOM 0 H SER A 7 -3.969 -9.735 -2.028 1.00 0.00 H new ATOM 0 HA SER A 7 -3.288 -8.362 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.288 -10.170 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.002 -11.254 0.461 1.00 0.00 H new ATOM 0 HG SER A 7 -5.264 -10.516 2.261 1.00 0.00 H new ATOM 106 N PRO A 8 -1.126 -9.536 0.934 1.00 0.00 N ATOM 107 CA PRO A 8 0.231 -10.066 1.100 1.00 0.00 C ATOM 108 C PRO A 8 0.233 -11.523 1.548 1.00 0.00 C ATOM 109 O PRO A 8 1.264 -12.194 1.504 1.00 0.00 O ATOM 110 CB PRO A 8 0.831 -9.171 2.187 1.00 0.00 C ATOM 111 CG PRO A 8 -0.342 -8.673 2.959 1.00 0.00 C ATOM 112 CD PRO A 8 -1.465 -8.542 1.967 1.00 0.00 C ATOM 0 HA PRO A 8 0.790 -10.056 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.517 -9.729 2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.398 -8.347 1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.606 -9.366 3.758 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.122 -7.714 3.428 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.432 -8.752 2.425 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.520 -7.535 1.553 1.00 0.00 H new ATOM 120 N SER A 9 -0.927 -12.007 1.979 1.00 0.00 N ATOM 121 CA SER A 9 -1.058 -13.385 2.439 1.00 0.00 C ATOM 122 C SER A 9 -1.520 -14.294 1.304 1.00 0.00 C ATOM 123 O SER A 9 -2.070 -15.370 1.541 1.00 0.00 O ATOM 124 CB SER A 9 -2.044 -13.464 3.605 1.00 0.00 C ATOM 125 OG SER A 9 -1.727 -14.542 4.469 1.00 0.00 O ATOM 0 H SER A 9 -1.790 -11.465 2.019 1.00 0.00 H new ATOM 0 HA SER A 9 -0.079 -13.724 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.027 -12.528 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.057 -13.587 3.221 1.00 0.00 H new ATOM 0 HG SER A 9 -2.371 -14.570 5.207 1.00 0.00 H new ATOM 131 N ASP A 10 -1.292 -13.854 0.072 1.00 0.00 N ATOM 132 CA ASP A 10 -1.683 -14.628 -1.101 1.00 0.00 C ATOM 133 C ASP A 10 -0.495 -14.838 -2.035 1.00 0.00 C ATOM 134 O ASP A 10 -0.211 -15.961 -2.451 1.00 0.00 O ATOM 135 CB ASP A 10 -2.817 -13.924 -1.848 1.00 0.00 C ATOM 136 CG ASP A 10 -3.929 -13.475 -0.921 1.00 0.00 C ATOM 137 OD1 ASP A 10 -4.066 -14.065 0.171 1.00 0.00 O ATOM 138 OD2 ASP A 10 -4.664 -12.534 -1.288 1.00 0.00 O ATOM 0 H ASP A 10 -0.838 -12.966 -0.141 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.032 -15.603 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.418 -13.059 -2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.225 -14.598 -2.601 1.00 0.00 H new ATOM 143 N ILE A 11 0.193 -13.749 -2.361 1.00 0.00 N ATOM 144 CA ILE A 11 1.350 -13.814 -3.245 1.00 0.00 C ATOM 145 C ILE A 11 2.454 -14.679 -2.645 1.00 0.00 C ATOM 146 O ILE A 11 3.345 -15.146 -3.353 1.00 0.00 O ATOM 147 CB ILE A 11 1.914 -12.412 -3.539 1.00 0.00 C ATOM 148 CG1 ILE A 11 0.829 -11.517 -4.141 1.00 0.00 C ATOM 149 CG2 ILE A 11 3.110 -12.507 -4.475 1.00 0.00 C ATOM 150 CD1 ILE A 11 0.775 -10.136 -3.527 1.00 0.00 C ATOM 0 H ILE A 11 -0.031 -12.812 -2.026 1.00 0.00 H new ATOM 0 HA ILE A 11 1.008 -14.262 -4.178 1.00 0.00 H new ATOM 0 HB ILE A 11 2.246 -11.967 -2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.001 -11.423 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.140 -12.000 -4.015 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.497 -11.508 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.888 -13.112 -4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.802 -12.969 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.017 -9.557 -4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.572 -10.220 -2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.731 -9.634 -3.676 1.00 0.00 H new ATOM 162 N ALA A 12 2.386 -14.889 -1.335 1.00 0.00 N ATOM 163 CA ALA A 12 3.377 -15.701 -0.639 1.00 0.00 C ATOM 164 C ALA A 12 3.148 -17.186 -0.896 1.00 0.00 C ATOM 165 O ALA A 12 4.080 -17.988 -0.831 1.00 0.00 O ATOM 166 CB ALA A 12 3.342 -15.411 0.854 1.00 0.00 C ATOM 0 H ALA A 12 1.655 -14.508 -0.734 1.00 0.00 H new ATOM 0 HA ALA A 12 4.362 -15.439 -1.026 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.087 -16.024 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.562 -14.357 1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.352 -15.644 1.247 1.00 0.00 H new ATOM 172 N ALA A 13 1.903 -17.547 -1.188 1.00 0.00 N ATOM 173 CA ALA A 13 1.553 -18.936 -1.457 1.00 0.00 C ATOM 174 C ALA A 13 2.116 -19.395 -2.797 1.00 0.00 C ATOM 175 O ALA A 13 2.190 -20.592 -3.073 1.00 0.00 O ATOM 176 CB ALA A 13 0.042 -19.115 -1.428 1.00 0.00 C ATOM 0 H ALA A 13 1.120 -16.896 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 13 1.996 -19.554 -0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.205 -20.157 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.339 -18.836 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.414 -18.480 -2.187 1.00 0.00 H new ATOM 182 N ALA A 14 2.512 -18.435 -3.627 1.00 0.00 N ATOM 183 CA ALA A 14 3.069 -18.741 -4.939 1.00 0.00 C ATOM 184 C ALA A 14 4.593 -18.782 -4.891 1.00 0.00 C ATOM 185 O ALA A 14 5.224 -19.593 -5.571 1.00 0.00 O ATOM 186 CB ALA A 14 2.598 -17.721 -5.964 1.00 0.00 C ATOM 0 H ALA A 14 2.457 -17.439 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 14 2.714 -19.728 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.022 -17.962 -6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.510 -17.743 -6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.924 -16.725 -5.663 1.00 0.00 H new ATOM 192 N LEU A 15 5.179 -17.903 -4.086 1.00 0.00 N ATOM 193 CA LEU A 15 6.630 -17.838 -3.951 1.00 0.00 C ATOM 194 C LEU A 15 7.196 -19.182 -3.506 1.00 0.00 C ATOM 195 O LEU A 15 8.341 -19.516 -3.811 1.00 0.00 O ATOM 196 CB LEU A 15 7.020 -16.750 -2.948 1.00 0.00 C ATOM 197 CG LEU A 15 6.776 -15.308 -3.394 1.00 0.00 C ATOM 198 CD1 LEU A 15 7.261 -14.332 -2.333 1.00 0.00 C ATOM 199 CD2 LEU A 15 7.463 -15.037 -4.724 1.00 0.00 C ATOM 0 H LEU A 15 4.672 -17.225 -3.517 1.00 0.00 H new ATOM 0 HA LEU A 15 7.051 -17.593 -4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.469 -16.922 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.078 -16.863 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 15 5.703 -15.166 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.079 -13.311 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.723 -14.510 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.329 -14.475 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.278 -14.006 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.536 -15.198 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.068 -15.713 -5.482 1.00 0.00 H new ATOM 211 N ARG A 16 6.386 -19.950 -2.785 1.00 0.00 N ATOM 212 CA ARG A 16 6.806 -21.259 -2.299 1.00 0.00 C ATOM 213 C ARG A 16 6.450 -22.352 -3.303 1.00 0.00 C ATOM 214 O ARG A 16 7.031 -23.437 -3.287 1.00 0.00 O ATOM 215 CB ARG A 16 6.152 -21.559 -0.949 1.00 0.00 C ATOM 216 CG ARG A 16 6.813 -22.699 -0.192 1.00 0.00 C ATOM 217 CD ARG A 16 6.132 -24.028 -0.478 1.00 0.00 C ATOM 218 NE ARG A 16 5.063 -24.312 0.476 1.00 0.00 N ATOM 219 CZ ARG A 16 4.171 -25.283 0.313 1.00 0.00 C ATOM 220 NH1 ARG A 16 4.221 -26.060 -0.760 1.00 0.00 N ATOM 221 NH2 ARG A 16 3.228 -25.479 1.226 1.00 0.00 N ATOM 0 H ARG A 16 5.435 -19.689 -2.524 1.00 0.00 H new ATOM 0 HA ARG A 16 7.889 -21.242 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.181 -20.660 -0.333 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.102 -21.802 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.865 -22.761 -0.471 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.779 -22.494 0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.722 -24.015 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.871 -24.829 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 16 4.998 -23.733 1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.946 -25.913 -1.463 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.535 -26.805 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.188 -24.884 2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.543 -26.225 1.100 1.00 0.00 H new ATOM 235 N ASP A 17 5.491 -22.057 -4.174 1.00 0.00 N ATOM 236 CA ASP A 17 5.058 -23.014 -5.186 1.00 0.00 C ATOM 237 C ASP A 17 5.750 -22.747 -6.519 1.00 0.00 C ATOM 238 O ASP A 17 5.284 -23.185 -7.571 1.00 0.00 O ATOM 239 CB ASP A 17 3.540 -22.949 -5.363 1.00 0.00 C ATOM 240 CG ASP A 17 2.957 -24.262 -5.848 1.00 0.00 C ATOM 241 OD1 ASP A 17 2.646 -25.122 -4.997 1.00 0.00 O ATOM 242 OD2 ASP A 17 2.812 -24.429 -7.077 1.00 0.00 O ATOM 0 H ASP A 17 4.999 -21.164 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 17 5.335 -24.013 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.078 -22.678 -4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.293 -22.161 -6.074 1.00 0.00 H new ATOM 247 N CYS A 18 6.864 -22.024 -6.466 1.00 0.00 N ATOM 248 CA CYS A 18 7.620 -21.696 -7.670 1.00 0.00 C ATOM 249 C CYS A 18 9.114 -21.628 -7.372 1.00 0.00 C ATOM 250 O CYS A 18 9.877 -21.014 -8.117 1.00 0.00 O ATOM 251 CB CYS A 18 7.142 -20.365 -8.250 1.00 0.00 C ATOM 252 SG CYS A 18 7.684 -18.915 -7.315 1.00 0.00 S ATOM 0 H CYS A 18 7.263 -21.654 -5.603 1.00 0.00 H new ATOM 0 HA CYS A 18 7.450 -22.485 -8.403 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.501 -20.278 -9.275 1.00 0.00 H new ATOM 0 HB3 CYS A 18 6.053 -20.370 -8.293 1.00 0.00 H new ATOM 0 HG CYS A 18 7.580 -17.855 -8.060 1.00 0.00 H new ATOM 258 N GLN A 19 9.523 -22.262 -6.278 1.00 0.00 N ATOM 259 CA GLN A 19 10.926 -22.271 -5.881 1.00 0.00 C ATOM 260 C GLN A 19 11.781 -22.994 -6.917 1.00 0.00 C ATOM 261 O GLN A 19 12.988 -22.773 -7.003 1.00 0.00 O ATOM 262 CB GLN A 19 11.087 -22.940 -4.514 1.00 0.00 C ATOM 263 CG GLN A 19 10.538 -24.357 -4.462 1.00 0.00 C ATOM 264 CD GLN A 19 10.278 -24.830 -3.045 1.00 0.00 C ATOM 265 OE1 GLN A 19 10.754 -25.888 -2.635 1.00 0.00 O ATOM 266 NE2 GLN A 19 9.519 -24.045 -2.289 1.00 0.00 N ATOM 0 H GLN A 19 8.904 -22.776 -5.651 1.00 0.00 H new ATOM 0 HA GLN A 19 11.265 -21.237 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.144 -22.959 -4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.581 -22.335 -3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.611 -24.405 -5.033 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.244 -25.034 -4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.145 -23.176 -2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.310 -24.311 -1.327 1.00 0.00 H new ATOM 275 N ALA A 20 11.146 -23.858 -7.702 1.00 0.00 N ATOM 276 CA ALA A 20 11.848 -24.612 -8.733 1.00 0.00 C ATOM 277 C ALA A 20 12.280 -23.703 -9.879 1.00 0.00 C ATOM 278 O ALA A 20 11.749 -22.608 -10.069 1.00 0.00 O ATOM 279 CB ALA A 20 10.968 -25.738 -9.254 1.00 0.00 C ATOM 0 H ALA A 20 10.147 -24.053 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 20 12.745 -25.042 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.505 -26.293 -10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.713 -26.409 -8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.055 -25.320 -9.678 1.00 0.00 H new ATOM 285 N PRO A 21 13.268 -24.163 -10.660 1.00 0.00 N ATOM 286 CA PRO A 21 13.794 -23.407 -11.801 1.00 0.00 C ATOM 287 C PRO A 21 12.794 -23.319 -12.949 1.00 0.00 C ATOM 288 O PRO A 21 12.195 -24.321 -13.341 1.00 0.00 O ATOM 289 CB PRO A 21 15.024 -24.212 -12.224 1.00 0.00 C ATOM 290 CG PRO A 21 14.748 -25.600 -11.757 1.00 0.00 C ATOM 291 CD PRO A 21 13.948 -25.459 -10.492 1.00 0.00 C ATOM 0 HA PRO A 21 14.015 -22.373 -11.537 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.166 -24.179 -13.304 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.932 -23.815 -11.770 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.194 -26.162 -12.509 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.676 -26.142 -11.574 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.235 -26.275 -10.375 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.588 -25.466 -9.609 1.00 0.00 H new ATOM 299 N ASP A 22 12.618 -22.116 -13.483 1.00 0.00 N ATOM 300 CA ASP A 22 11.691 -21.898 -14.588 1.00 0.00 C ATOM 301 C ASP A 22 10.283 -22.348 -14.213 1.00 0.00 C ATOM 302 O ASP A 22 9.467 -22.656 -15.081 1.00 0.00 O ATOM 303 CB ASP A 22 12.165 -22.647 -15.834 1.00 0.00 C ATOM 304 CG ASP A 22 11.432 -22.208 -17.087 1.00 0.00 C ATOM 305 OD1 ASP A 22 10.764 -21.154 -17.045 1.00 0.00 O ATOM 306 OD2 ASP A 22 11.527 -22.919 -18.109 1.00 0.00 O ATOM 0 H ASP A 22 13.105 -21.276 -13.169 1.00 0.00 H new ATOM 0 HA ASP A 22 11.666 -20.830 -14.804 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.235 -22.485 -15.967 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.020 -23.717 -15.688 1.00 0.00 H new ATOM 311 N SER A 23 10.005 -22.385 -12.913 1.00 0.00 N ATOM 312 CA SER A 23 8.697 -22.803 -12.423 1.00 0.00 C ATOM 313 C SER A 23 7.821 -21.593 -12.114 1.00 0.00 C ATOM 314 O SER A 23 6.603 -21.712 -11.978 1.00 0.00 O ATOM 315 CB SER A 23 8.851 -23.668 -11.170 1.00 0.00 C ATOM 316 OG SER A 23 7.615 -23.808 -10.491 1.00 0.00 O ATOM 0 H SER A 23 10.668 -22.131 -12.181 1.00 0.00 H new ATOM 0 HA SER A 23 8.214 -23.390 -13.204 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.230 -24.651 -11.448 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.587 -23.219 -10.503 1.00 0.00 H new ATOM 0 HG SER A 23 7.740 -24.366 -9.695 1.00 0.00 H new ATOM 322 N PHE A 24 8.450 -20.428 -12.003 1.00 0.00 N ATOM 323 CA PHE A 24 7.730 -19.194 -11.709 1.00 0.00 C ATOM 324 C PHE A 24 7.404 -18.435 -12.992 1.00 0.00 C ATOM 325 O PHE A 24 8.189 -18.434 -13.941 1.00 0.00 O ATOM 326 CB PHE A 24 8.554 -18.307 -10.774 1.00 0.00 C ATOM 327 CG PHE A 24 7.842 -17.053 -10.356 1.00 0.00 C ATOM 328 CD1 PHE A 24 6.521 -17.095 -9.942 1.00 0.00 C ATOM 329 CD2 PHE A 24 8.495 -15.830 -10.377 1.00 0.00 C ATOM 330 CE1 PHE A 24 5.863 -15.942 -9.556 1.00 0.00 C ATOM 331 CE2 PHE A 24 7.842 -14.675 -9.992 1.00 0.00 C ATOM 332 CZ PHE A 24 6.524 -14.730 -9.582 1.00 0.00 C ATOM 0 H PHE A 24 9.457 -20.312 -12.112 1.00 0.00 H new ATOM 0 HA PHE A 24 6.794 -19.458 -11.216 1.00 0.00 H new ATOM 0 HB2 PHE A 24 8.819 -18.878 -9.884 1.00 0.00 H new ATOM 0 HB3 PHE A 24 9.487 -18.038 -11.270 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.999 -18.040 -9.920 1.00 0.00 H new ATOM 0 HD2 PHE A 24 9.525 -15.780 -10.698 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.833 -15.989 -9.234 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.362 -13.729 -10.012 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.012 -13.827 -9.283 1.00 0.00 H new ATOM 342 N SER A 25 6.242 -17.792 -13.014 1.00 0.00 N ATOM 343 CA SER A 25 5.809 -17.032 -14.181 1.00 0.00 C ATOM 344 C SER A 25 4.714 -16.038 -13.807 1.00 0.00 C ATOM 345 O SER A 25 4.018 -16.191 -12.803 1.00 0.00 O ATOM 346 CB SER A 25 5.305 -17.978 -15.273 1.00 0.00 C ATOM 347 OG SER A 25 6.385 -18.561 -15.981 1.00 0.00 O ATOM 0 H SER A 25 5.582 -17.782 -12.236 1.00 0.00 H new ATOM 0 HA SER A 25 6.666 -16.475 -14.560 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.694 -18.762 -14.826 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.665 -17.431 -15.965 1.00 0.00 H new ATOM 0 HG SER A 25 7.171 -18.608 -15.398 1.00 0.00 H new ATOM 353 N PRO A 26 4.556 -14.994 -14.634 1.00 0.00 N ATOM 354 CA PRO A 26 3.547 -13.954 -14.413 1.00 0.00 C ATOM 355 C PRO A 26 2.128 -14.467 -14.632 1.00 0.00 C ATOM 356 O PRO A 26 1.200 -14.081 -13.921 1.00 0.00 O ATOM 357 CB PRO A 26 3.899 -12.891 -15.457 1.00 0.00 C ATOM 358 CG PRO A 26 4.604 -13.638 -16.535 1.00 0.00 C ATOM 359 CD PRO A 26 5.350 -14.749 -15.850 1.00 0.00 C ATOM 0 HA PRO A 26 3.560 -13.585 -13.388 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.004 -12.398 -15.837 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.535 -12.114 -15.032 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.896 -14.034 -17.262 1.00 0.00 H new ATOM 0 HG3 PRO A 26 5.288 -12.986 -17.078 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.410 -15.639 -16.477 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.373 -14.458 -15.610 1.00 0.00 H new ATOM 367 N LYS A 27 1.966 -15.341 -15.620 1.00 0.00 N ATOM 368 CA LYS A 27 0.660 -15.909 -15.933 1.00 0.00 C ATOM 369 C LYS A 27 0.448 -17.226 -15.192 1.00 0.00 C ATOM 370 O LYS A 27 -0.157 -18.158 -15.722 1.00 0.00 O ATOM 371 CB LYS A 27 0.525 -16.133 -17.441 1.00 0.00 C ATOM 372 CG LYS A 27 1.523 -17.133 -17.998 1.00 0.00 C ATOM 373 CD LYS A 27 1.040 -17.731 -19.309 1.00 0.00 C ATOM 374 CE LYS A 27 -0.035 -18.783 -19.079 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.424 -19.464 -20.345 1.00 0.00 N ATOM 0 H LYS A 27 2.723 -15.671 -16.218 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.103 -15.202 -15.608 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.485 -16.480 -17.660 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.653 -15.180 -17.954 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.484 -16.642 -18.153 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.686 -17.929 -17.272 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.646 -16.940 -19.948 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.881 -18.179 -19.838 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.327 -19.523 -18.365 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.913 -18.314 -18.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.158 -20.173 -20.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.794 -18.762 -21.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.408 -19.933 -20.757 1.00 0.00 H new ATOM 389 N LYS A 28 0.949 -17.295 -13.963 1.00 0.00 N ATOM 390 CA LYS A 28 0.812 -18.496 -13.148 1.00 0.00 C ATOM 391 C LYS A 28 0.395 -18.143 -11.724 1.00 0.00 C ATOM 392 O LYS A 28 -0.424 -18.833 -11.117 1.00 0.00 O ATOM 393 CB LYS A 28 2.130 -19.275 -13.126 1.00 0.00 C ATOM 394 CG LYS A 28 2.217 -20.353 -14.192 1.00 0.00 C ATOM 395 CD LYS A 28 1.470 -21.609 -13.777 1.00 0.00 C ATOM 396 CE LYS A 28 0.993 -22.400 -14.986 1.00 0.00 C ATOM 397 NZ LYS A 28 2.125 -23.042 -15.710 1.00 0.00 N ATOM 0 H LYS A 28 1.454 -16.533 -13.510 1.00 0.00 H new ATOM 0 HA LYS A 28 0.035 -19.119 -13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.957 -18.577 -13.258 1.00 0.00 H new ATOM 0 HB3 LYS A 28 2.254 -19.735 -12.145 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.804 -19.975 -15.127 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.263 -20.596 -14.380 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.120 -22.235 -13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.615 -21.337 -13.158 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.287 -23.165 -14.664 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.457 -21.737 -15.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.759 -23.571 -16.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.786 -22.310 -16.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.622 -23.694 -15.070 1.00 0.00 H new ATOM 411 N PHE A 29 0.961 -17.062 -11.197 1.00 0.00 N ATOM 412 CA PHE A 29 0.647 -16.617 -9.845 1.00 0.00 C ATOM 413 C PHE A 29 -0.591 -15.724 -9.840 1.00 0.00 C ATOM 414 O PHE A 29 -1.220 -15.523 -8.801 1.00 0.00 O ATOM 415 CB PHE A 29 1.835 -15.863 -9.244 1.00 0.00 C ATOM 416 CG PHE A 29 1.862 -14.404 -9.601 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.286 -13.992 -10.854 1.00 0.00 C ATOM 418 CD2 PHE A 29 1.463 -13.446 -8.683 1.00 0.00 C ATOM 419 CE1 PHE A 29 2.313 -12.650 -11.184 1.00 0.00 C ATOM 420 CE2 PHE A 29 1.487 -12.102 -9.008 1.00 0.00 C ATOM 421 CZ PHE A 29 1.911 -11.704 -10.261 1.00 0.00 C ATOM 0 H PHE A 29 1.640 -16.478 -11.686 1.00 0.00 H new ATOM 0 HA PHE A 29 0.441 -17.499 -9.238 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.807 -15.963 -8.159 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.760 -16.329 -9.583 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.599 -14.727 -11.581 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.129 -13.752 -7.703 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.648 -12.341 -12.163 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.175 -11.365 -8.283 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.928 -10.655 -10.519 1.00 0.00 H new ATOM 431 N PHE A 30 -0.933 -15.192 -11.008 1.00 0.00 N ATOM 432 CA PHE A 30 -2.094 -14.319 -11.139 1.00 0.00 C ATOM 433 C PHE A 30 -3.333 -14.967 -10.528 1.00 0.00 C ATOM 434 O PHE A 30 -4.218 -14.280 -10.020 1.00 0.00 O ATOM 435 CB PHE A 30 -2.349 -13.992 -12.612 1.00 0.00 C ATOM 436 CG PHE A 30 -2.953 -15.131 -13.383 1.00 0.00 C ATOM 437 CD1 PHE A 30 -2.204 -16.258 -13.680 1.00 0.00 C ATOM 438 CD2 PHE A 30 -4.270 -15.075 -13.811 1.00 0.00 C ATOM 439 CE1 PHE A 30 -2.757 -17.309 -14.389 1.00 0.00 C ATOM 440 CE2 PHE A 30 -4.828 -16.122 -14.520 1.00 0.00 C ATOM 441 CZ PHE A 30 -4.070 -17.239 -14.810 1.00 0.00 C ATOM 0 H PHE A 30 -0.423 -15.350 -11.877 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.886 -13.395 -10.600 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.012 -13.129 -12.675 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.408 -13.705 -13.081 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.176 -16.317 -13.354 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.867 -14.203 -13.588 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.163 -18.183 -14.613 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.856 -16.066 -14.847 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.504 -18.057 -15.366 1.00 0.00 H new ATOM 451 N GLN A 31 -3.388 -16.294 -10.584 1.00 0.00 N ATOM 452 CA GLN A 31 -4.519 -17.035 -10.037 1.00 0.00 C ATOM 453 C GLN A 31 -4.288 -17.375 -8.569 1.00 0.00 C ATOM 454 O GLN A 31 -5.233 -17.451 -7.783 1.00 0.00 O ATOM 455 CB GLN A 31 -4.752 -18.316 -10.839 1.00 0.00 C ATOM 456 CG GLN A 31 -3.773 -19.430 -10.505 1.00 0.00 C ATOM 457 CD GLN A 31 -3.567 -20.392 -11.658 1.00 0.00 C ATOM 458 OE1 GLN A 31 -4.525 -20.943 -12.201 1.00 0.00 O ATOM 459 NE2 GLN A 31 -2.312 -20.600 -12.039 1.00 0.00 N ATOM 0 H GLN A 31 -2.663 -16.878 -11.002 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.404 -16.403 -10.110 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.767 -18.669 -10.657 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.680 -18.087 -11.902 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.814 -18.994 -10.225 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.138 -19.981 -9.638 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.548 -20.122 -11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.112 -21.237 -12.810 1.00 0.00 H new ATOM 468 N ILE A 32 -3.026 -17.580 -8.205 1.00 0.00 N ATOM 469 CA ILE A 32 -2.672 -17.912 -6.831 1.00 0.00 C ATOM 470 C ILE A 32 -2.886 -16.719 -5.905 1.00 0.00 C ATOM 471 O ILE A 32 -3.698 -16.775 -4.981 1.00 0.00 O ATOM 472 CB ILE A 32 -1.208 -18.376 -6.723 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.994 -19.655 -7.534 1.00 0.00 C ATOM 474 CG2 ILE A 32 -0.827 -18.595 -5.266 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.419 -19.815 -8.050 1.00 0.00 C ATOM 0 H ILE A 32 -2.232 -17.522 -8.843 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.326 -18.728 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.565 -17.597 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.245 -20.515 -6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.683 -19.659 -8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.211 -18.923 -5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.945 -17.662 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.474 -19.357 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.497 -20.744 -8.616 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.667 -18.974 -8.697 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.112 -19.843 -7.209 1.00 0.00 H new ATOM 487 N SER A 33 -2.152 -15.641 -6.160 1.00 0.00 N ATOM 488 CA SER A 33 -2.259 -14.434 -5.348 1.00 0.00 C ATOM 489 C SER A 33 -3.684 -13.887 -5.373 1.00 0.00 C ATOM 490 O SER A 33 -4.250 -13.551 -4.334 1.00 0.00 O ATOM 491 CB SER A 33 -1.283 -13.368 -5.849 1.00 0.00 C ATOM 492 OG SER A 33 -1.382 -13.206 -7.253 1.00 0.00 O ATOM 0 H SER A 33 -1.477 -15.578 -6.922 1.00 0.00 H new ATOM 0 HA SER A 33 -2.006 -14.694 -4.320 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.491 -12.419 -5.355 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.264 -13.649 -5.583 1.00 0.00 H new ATOM 0 HG SER A 33 -0.483 -13.173 -7.643 1.00 0.00 H new ATOM 498 N GLY A 34 -4.257 -13.801 -6.570 1.00 0.00 N ATOM 499 CA GLY A 34 -5.610 -13.295 -6.709 1.00 0.00 C ATOM 500 C GLY A 34 -5.688 -12.100 -7.638 1.00 0.00 C ATOM 501 O GLY A 34 -6.580 -11.261 -7.508 1.00 0.00 O ATOM 0 H GLY A 34 -3.809 -14.073 -7.445 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.255 -14.088 -7.087 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.993 -13.014 -5.728 1.00 0.00 H new ATOM 505 N MET A 35 -4.752 -12.020 -8.578 1.00 0.00 N ATOM 506 CA MET A 35 -4.719 -10.918 -9.532 1.00 0.00 C ATOM 507 C MET A 35 -5.761 -11.117 -10.629 1.00 0.00 C ATOM 508 O MET A 35 -6.127 -10.172 -11.328 1.00 0.00 O ATOM 509 CB MET A 35 -3.326 -10.793 -10.152 1.00 0.00 C ATOM 510 CG MET A 35 -2.281 -10.245 -9.194 1.00 0.00 C ATOM 511 SD MET A 35 -1.058 -9.209 -10.019 1.00 0.00 S ATOM 512 CE MET A 35 -0.663 -10.220 -11.444 1.00 0.00 C ATOM 0 H MET A 35 -4.006 -12.705 -8.699 1.00 0.00 H new ATOM 0 HA MET A 35 -4.953 -9.999 -8.995 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.005 -11.773 -10.505 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.383 -10.143 -11.025 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.776 -9.665 -8.415 1.00 0.00 H new ATOM 0 HG3 MET A 35 -1.775 -11.075 -8.701 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.351 -9.998 -11.778 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.734 -11.274 -11.174 1.00 0.00 H new ATOM 0 HE3 MET A 35 -1.365 -10.004 -12.249 1.00 0.00 H new ATOM 522 N SER A 36 -6.233 -12.351 -10.773 1.00 0.00 N ATOM 523 CA SER A 36 -7.230 -12.674 -11.788 1.00 0.00 C ATOM 524 C SER A 36 -8.447 -11.763 -11.663 1.00 0.00 C ATOM 525 O SER A 36 -9.092 -11.429 -12.657 1.00 0.00 O ATOM 526 CB SER A 36 -7.659 -14.137 -11.664 1.00 0.00 C ATOM 527 OG SER A 36 -8.413 -14.349 -10.483 1.00 0.00 O ATOM 0 H SER A 36 -5.942 -13.143 -10.200 1.00 0.00 H new ATOM 0 HA SER A 36 -6.779 -12.517 -12.768 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.252 -14.420 -12.534 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.778 -14.778 -11.657 1.00 0.00 H new ATOM 0 HG SER A 36 -8.677 -15.291 -10.428 1.00 0.00 H new ATOM 533 N LYS A 37 -8.755 -11.363 -10.434 1.00 0.00 N ATOM 534 CA LYS A 37 -9.894 -10.489 -10.176 1.00 0.00 C ATOM 535 C LYS A 37 -9.694 -9.127 -10.832 1.00 0.00 C ATOM 536 O LYS A 37 -10.659 -8.447 -11.182 1.00 0.00 O ATOM 537 CB LYS A 37 -10.099 -10.316 -8.670 1.00 0.00 C ATOM 538 CG LYS A 37 -10.377 -11.619 -7.940 1.00 0.00 C ATOM 539 CD LYS A 37 -11.145 -11.384 -6.650 1.00 0.00 C ATOM 540 CE LYS A 37 -10.243 -10.838 -5.555 1.00 0.00 C ATOM 541 NZ LYS A 37 -11.024 -10.220 -4.448 1.00 0.00 N ATOM 0 H LYS A 37 -8.232 -11.630 -9.600 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.781 -10.953 -10.606 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.211 -9.852 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.929 -9.630 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.947 -12.285 -8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.435 -12.120 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.960 -10.684 -6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.596 -12.319 -6.318 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.626 -11.644 -5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.565 -10.097 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.372 -9.860 -3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.594 -9.434 -4.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.652 -10.933 -4.026 1.00 0.00 H new ATOM 555 N LYS A 38 -8.436 -8.734 -10.999 1.00 0.00 N ATOM 556 CA LYS A 38 -8.108 -7.455 -11.616 1.00 0.00 C ATOM 557 C LYS A 38 -8.734 -7.343 -13.002 1.00 0.00 C ATOM 558 O LYS A 38 -9.456 -8.238 -13.442 1.00 0.00 O ATOM 559 CB LYS A 38 -6.590 -7.286 -11.715 1.00 0.00 C ATOM 560 CG LYS A 38 -5.880 -7.379 -10.376 1.00 0.00 C ATOM 561 CD LYS A 38 -6.499 -6.446 -9.349 1.00 0.00 C ATOM 562 CE LYS A 38 -7.487 -7.178 -8.454 1.00 0.00 C ATOM 563 NZ LYS A 38 -7.475 -6.646 -7.063 1.00 0.00 N ATOM 0 H LYS A 38 -7.626 -9.284 -10.715 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.515 -6.663 -10.988 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.190 -8.049 -12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.369 -6.319 -12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.925 -8.405 -10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.826 -7.132 -10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.713 -6.003 -8.738 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.006 -5.627 -9.859 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.491 -7.086 -8.869 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.245 -8.241 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.381 -7.434 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.672 -5.995 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.363 -6.137 -6.878 1.00 0.00 H new ATOM 577 N SER A 39 -8.451 -6.240 -13.688 1.00 0.00 N ATOM 578 CA SER A 39 -8.988 -6.011 -15.024 1.00 0.00 C ATOM 579 C SER A 39 -8.270 -4.851 -15.707 1.00 0.00 C ATOM 580 O SER A 39 -8.904 -3.936 -16.232 1.00 0.00 O ATOM 581 CB SER A 39 -10.489 -5.724 -14.951 1.00 0.00 C ATOM 582 OG SER A 39 -11.149 -6.160 -16.126 1.00 0.00 O ATOM 0 H SER A 39 -7.853 -5.491 -13.340 1.00 0.00 H new ATOM 0 HA SER A 39 -8.826 -6.914 -15.613 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.916 -6.225 -14.083 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.652 -4.655 -14.814 1.00 0.00 H new ATOM 0 HG SER A 39 -12.107 -5.967 -16.054 1.00 0.00 H new ATOM 588 N SER A 40 -6.941 -4.897 -15.694 1.00 0.00 N ATOM 589 CA SER A 40 -6.135 -3.848 -16.309 1.00 0.00 C ATOM 590 C SER A 40 -6.487 -2.482 -15.728 1.00 0.00 C ATOM 591 O SER A 40 -6.266 -1.450 -16.363 1.00 0.00 O ATOM 592 CB SER A 40 -6.341 -3.840 -17.825 1.00 0.00 C ATOM 593 OG SER A 40 -5.717 -4.959 -18.431 1.00 0.00 O ATOM 0 H SER A 40 -6.400 -5.648 -15.265 1.00 0.00 H new ATOM 0 HA SER A 40 -5.087 -4.055 -16.094 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.407 -3.848 -18.050 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.934 -2.921 -18.246 1.00 0.00 H new ATOM 0 HG SER A 40 -5.865 -4.931 -19.399 1.00 0.00 H new ATOM 599 N SER A 41 -7.036 -2.484 -14.518 1.00 0.00 N ATOM 600 CA SER A 41 -7.422 -1.245 -13.852 1.00 0.00 C ATOM 601 C SER A 41 -6.702 -1.100 -12.515 1.00 0.00 C ATOM 602 O SER A 41 -6.807 -0.068 -11.852 1.00 0.00 O ATOM 603 CB SER A 41 -8.936 -1.209 -13.636 1.00 0.00 C ATOM 604 OG SER A 41 -9.399 0.123 -13.490 1.00 0.00 O ATOM 0 H SER A 41 -7.224 -3.329 -13.979 1.00 0.00 H new ATOM 0 HA SER A 41 -7.133 -0.411 -14.492 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.438 -1.681 -14.480 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.194 -1.786 -12.748 1.00 0.00 H new ATOM 0 HG SER A 41 -8.809 0.609 -12.876 1.00 0.00 H new ATOM 610 N GLN A 42 -5.972 -2.140 -12.127 1.00 0.00 N ATOM 611 CA GLN A 42 -5.235 -2.129 -10.869 1.00 0.00 C ATOM 612 C GLN A 42 -3.812 -2.639 -11.067 1.00 0.00 C ATOM 613 O GLN A 42 -2.976 -2.544 -10.167 1.00 0.00 O ATOM 614 CB GLN A 42 -5.955 -2.984 -9.824 1.00 0.00 C ATOM 615 CG GLN A 42 -7.408 -2.592 -9.613 1.00 0.00 C ATOM 616 CD GLN A 42 -8.376 -3.592 -10.212 1.00 0.00 C ATOM 617 OE1 GLN A 42 -8.048 -4.098 -11.395 1.00 0.00 O flip ATOM 618 NE2 GLN A 42 -9.408 -3.907 -9.618 1.00 0.00 N flip ATOM 0 H GLN A 42 -5.875 -3.001 -12.665 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.186 -1.099 -10.515 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.910 -4.030 -10.129 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.425 -2.906 -8.875 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.603 -2.498 -8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.584 -1.612 -10.056 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.621 -3.493 -8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.050 -4.582 -10.034 1.00 0.00 H new ATOM 627 N LEU A 43 -3.542 -3.179 -12.250 1.00 0.00 N ATOM 628 CA LEU A 43 -2.218 -3.705 -12.567 1.00 0.00 C ATOM 629 C LEU A 43 -1.168 -2.600 -12.520 1.00 0.00 C ATOM 630 O LEU A 43 -0.020 -2.835 -12.142 1.00 0.00 O ATOM 631 CB LEU A 43 -2.225 -4.358 -13.951 1.00 0.00 C ATOM 632 CG LEU A 43 -3.428 -5.248 -14.267 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.230 -5.961 -15.595 1.00 0.00 C ATOM 634 CD2 LEU A 43 -3.656 -6.254 -13.148 1.00 0.00 C ATOM 0 H LEU A 43 -4.222 -3.264 -13.006 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.963 -4.456 -11.819 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.174 -3.570 -14.703 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.319 -4.956 -14.053 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.313 -4.616 -14.346 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.096 -6.590 -15.803 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.117 -5.224 -16.390 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.335 -6.581 -15.545 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.516 -6.879 -13.390 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.772 -6.881 -13.037 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.844 -5.724 -12.215 1.00 0.00 H new ATOM 646 N LYS A 44 -1.569 -1.393 -12.903 1.00 0.00 N ATOM 647 CA LYS A 44 -0.664 -0.249 -12.901 1.00 0.00 C ATOM 648 C LYS A 44 -0.868 0.604 -11.653 1.00 0.00 C ATOM 649 O LYS A 44 -0.189 1.612 -11.462 1.00 0.00 O ATOM 650 CB LYS A 44 -0.883 0.602 -14.154 1.00 0.00 C ATOM 651 CG LYS A 44 -2.264 1.228 -14.231 1.00 0.00 C ATOM 652 CD LYS A 44 -3.200 0.407 -15.103 1.00 0.00 C ATOM 653 CE LYS A 44 -4.166 1.294 -15.874 1.00 0.00 C ATOM 654 NZ LYS A 44 -3.577 1.772 -17.155 1.00 0.00 N ATOM 0 H LYS A 44 -2.515 -1.181 -13.219 1.00 0.00 H new ATOM 0 HA LYS A 44 0.359 -0.626 -12.899 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.133 1.393 -14.182 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.725 -0.018 -15.036 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.682 1.315 -13.228 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.185 2.239 -14.632 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.616 -0.191 -15.803 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.762 -0.289 -14.480 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.082 0.740 -16.080 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.442 2.151 -15.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.266 2.373 -17.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.717 2.322 -16.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.337 0.955 -17.753 1.00 0.00 H new ATOM 668 N GLU A 45 -1.806 0.191 -10.806 1.00 0.00 N ATOM 669 CA GLU A 45 -2.098 0.918 -9.576 1.00 0.00 C ATOM 670 C GLU A 45 -0.982 0.725 -8.553 1.00 0.00 C ATOM 671 O GLU A 45 -0.537 1.681 -7.917 1.00 0.00 O ATOM 672 CB GLU A 45 -3.431 0.454 -8.987 1.00 0.00 C ATOM 673 CG GLU A 45 -4.615 1.303 -9.416 1.00 0.00 C ATOM 674 CD GLU A 45 -4.598 2.686 -8.793 1.00 0.00 C ATOM 675 OE1 GLU A 45 -4.472 2.776 -7.554 1.00 0.00 O ATOM 676 OE2 GLU A 45 -4.711 3.677 -9.544 1.00 0.00 O ATOM 0 H GLU A 45 -2.376 -0.643 -10.949 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.166 1.979 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.609 -0.580 -9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.362 0.466 -7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.615 1.398 -10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.540 0.796 -9.140 1.00 0.00 H new ATOM 683 N ILE A 46 -0.536 -0.517 -8.400 1.00 0.00 N ATOM 684 CA ILE A 46 0.527 -0.836 -7.455 1.00 0.00 C ATOM 685 C ILE A 46 1.901 -0.591 -8.070 1.00 0.00 C ATOM 686 O ILE A 46 2.898 -0.465 -7.359 1.00 0.00 O ATOM 687 CB ILE A 46 0.442 -2.300 -6.984 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.007 -2.671 -6.661 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.333 -2.518 -5.770 1.00 0.00 C ATOM 690 CD1 ILE A 46 -1.686 -3.464 -7.756 1.00 0.00 C ATOM 0 H ILE A 46 -0.894 -1.319 -8.918 1.00 0.00 H new ATOM 0 HA ILE A 46 0.393 -0.178 -6.596 1.00 0.00 H new ATOM 0 HB ILE A 46 0.792 -2.946 -7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.028 -3.250 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.575 -1.759 -6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.262 -3.557 -5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.366 -2.288 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.010 -1.865 -4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.710 -3.692 -7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.697 -2.879 -8.676 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.141 -4.393 -7.923 1.00 0.00 H new ATOM 702 N PHE A 47 1.945 -0.523 -9.396 1.00 0.00 N ATOM 703 CA PHE A 47 3.197 -0.292 -10.108 1.00 0.00 C ATOM 704 C PHE A 47 4.351 -1.028 -9.433 1.00 0.00 C ATOM 705 O PHE A 47 5.445 -0.484 -9.285 1.00 0.00 O ATOM 706 CB PHE A 47 3.501 1.206 -10.175 1.00 0.00 C ATOM 707 CG PHE A 47 3.403 1.897 -8.845 1.00 0.00 C ATOM 708 CD1 PHE A 47 4.510 1.997 -8.018 1.00 0.00 C ATOM 709 CD2 PHE A 47 2.204 2.448 -8.423 1.00 0.00 C ATOM 710 CE1 PHE A 47 4.422 2.632 -6.794 1.00 0.00 C ATOM 711 CE2 PHE A 47 2.110 3.084 -7.200 1.00 0.00 C ATOM 712 CZ PHE A 47 3.221 3.177 -6.384 1.00 0.00 C ATOM 0 H PHE A 47 1.129 -0.624 -9.999 1.00 0.00 H new ATOM 0 HA PHE A 47 3.087 -0.679 -11.121 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.505 1.347 -10.576 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.809 1.678 -10.873 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.452 1.574 -8.334 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.333 2.380 -9.057 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.292 2.702 -6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.169 3.508 -6.882 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.151 3.675 -5.428 1.00 0.00 H new ATOM 722 N ARG A 48 4.097 -2.267 -9.025 1.00 0.00 N ATOM 723 CA ARG A 48 5.112 -3.077 -8.363 1.00 0.00 C ATOM 724 C ARG A 48 5.025 -4.532 -8.813 1.00 0.00 C ATOM 725 O ARG A 48 5.642 -5.414 -8.216 1.00 0.00 O ATOM 726 CB ARG A 48 4.954 -2.991 -6.844 1.00 0.00 C ATOM 727 CG ARG A 48 5.841 -1.939 -6.198 1.00 0.00 C ATOM 728 CD ARG A 48 6.432 -2.437 -4.888 1.00 0.00 C ATOM 729 NE ARG A 48 6.988 -1.349 -4.089 1.00 0.00 N ATOM 730 CZ ARG A 48 8.187 -0.818 -4.305 1.00 0.00 C ATOM 731 NH1 ARG A 48 8.950 -1.273 -5.288 1.00 0.00 N ATOM 732 NH2 ARG A 48 8.624 0.171 -3.535 1.00 0.00 N ATOM 0 H ARG A 48 3.197 -2.732 -9.141 1.00 0.00 H new ATOM 0 HA ARG A 48 6.091 -2.686 -8.642 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.913 -2.771 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.182 -3.964 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.646 -1.670 -6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.261 -1.034 -6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.660 -2.950 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.213 -3.168 -5.098 1.00 0.00 H new ATOM 0 HE ARG A 48 6.426 -0.976 -3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.618 -2.033 -5.882 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.870 -0.863 -5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.040 0.524 -2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.544 0.578 -3.701 1.00 0.00 H new ATOM 746 N ILE A 49 4.255 -4.774 -9.869 1.00 0.00 N ATOM 747 CA ILE A 49 4.088 -6.122 -10.398 1.00 0.00 C ATOM 748 C ILE A 49 4.496 -6.190 -11.866 1.00 0.00 C ATOM 749 O ILE A 49 4.907 -7.241 -12.359 1.00 0.00 O ATOM 750 CB ILE A 49 2.632 -6.605 -10.258 1.00 0.00 C ATOM 751 CG1 ILE A 49 1.710 -5.784 -11.162 1.00 0.00 C ATOM 752 CG2 ILE A 49 2.181 -6.514 -8.809 1.00 0.00 C ATOM 753 CD1 ILE A 49 0.271 -6.249 -11.139 1.00 0.00 C ATOM 0 H ILE A 49 3.738 -4.055 -10.374 1.00 0.00 H new ATOM 0 HA ILE A 49 4.736 -6.774 -9.813 1.00 0.00 H new ATOM 0 HB ILE A 49 2.579 -7.648 -10.569 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.751 -4.739 -10.855 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.082 -5.831 -12.185 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.150 -6.859 -8.726 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.823 -7.138 -8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.246 -5.479 -8.472 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.325 -5.622 -11.802 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.218 -7.285 -11.474 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.119 -6.176 -10.124 1.00 0.00 H new ATOM 765 N LEU A 50 4.381 -5.063 -12.559 1.00 0.00 N ATOM 766 CA LEU A 50 4.739 -4.993 -13.971 1.00 0.00 C ATOM 767 C LEU A 50 6.197 -4.578 -14.143 1.00 0.00 C ATOM 768 O LEU A 50 7.029 -5.368 -14.591 1.00 0.00 O ATOM 769 CB LEU A 50 3.827 -4.006 -14.702 1.00 0.00 C ATOM 770 CG LEU A 50 2.351 -4.038 -14.305 1.00 0.00 C ATOM 771 CD1 LEU A 50 1.674 -2.723 -14.660 1.00 0.00 C ATOM 772 CD2 LEU A 50 1.642 -5.203 -14.979 1.00 0.00 C ATOM 0 H LEU A 50 4.043 -4.185 -12.166 1.00 0.00 H new ATOM 0 HA LEU A 50 4.609 -5.986 -14.402 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.206 -2.998 -14.534 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.899 -4.199 -15.772 1.00 0.00 H new ATOM 0 HG LEU A 50 2.288 -4.176 -13.226 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.624 -2.764 -14.370 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.165 -1.906 -14.130 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.747 -2.554 -15.734 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.593 -5.210 -14.685 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.715 -5.096 -16.061 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.110 -6.139 -14.675 1.00 0.00 H new ATOM 784 N ASP A 51 6.499 -3.336 -13.783 1.00 0.00 N ATOM 785 CA ASP A 51 7.858 -2.817 -13.894 1.00 0.00 C ATOM 786 C ASP A 51 8.172 -1.868 -12.742 1.00 0.00 C ATOM 787 O ASP A 51 7.306 -1.559 -11.925 1.00 0.00 O ATOM 788 CB ASP A 51 8.043 -2.096 -15.230 1.00 0.00 C ATOM 789 CG ASP A 51 7.093 -0.926 -15.394 1.00 0.00 C ATOM 790 OD1 ASP A 51 5.866 -1.145 -15.320 1.00 0.00 O ATOM 791 OD2 ASP A 51 7.576 0.207 -15.597 1.00 0.00 O ATOM 0 H ASP A 51 5.822 -2.670 -13.412 1.00 0.00 H new ATOM 0 HA ASP A 51 8.548 -3.659 -13.846 1.00 0.00 H new ATOM 0 HB2 ASP A 51 9.070 -1.740 -15.308 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.888 -2.803 -16.045 1.00 0.00 H new ATOM 796 N ASN A 52 9.419 -1.409 -12.683 1.00 0.00 N ATOM 797 CA ASN A 52 9.848 -0.496 -11.630 1.00 0.00 C ATOM 798 C ASN A 52 10.639 0.672 -12.212 1.00 0.00 C ATOM 799 O ASN A 52 11.504 1.241 -11.547 1.00 0.00 O ATOM 800 CB ASN A 52 10.700 -1.239 -10.599 1.00 0.00 C ATOM 801 CG ASN A 52 10.164 -1.086 -9.189 1.00 0.00 C ATOM 802 OD1 ASN A 52 9.632 -0.037 -8.825 1.00 0.00 O ATOM 803 ND2 ASN A 52 10.303 -2.135 -8.386 1.00 0.00 N ATOM 0 H ASN A 52 10.149 -1.655 -13.352 1.00 0.00 H new ATOM 0 HA ASN A 52 8.958 -0.101 -11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.738 -2.297 -10.858 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.723 -0.864 -10.639 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.962 -2.091 -7.426 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.750 -2.985 -8.730 1.00 0.00 H new ATOM 810 N ASP A 53 10.334 1.024 -13.456 1.00 0.00 N ATOM 811 CA ASP A 53 11.014 2.125 -14.127 1.00 0.00 C ATOM 812 C ASP A 53 10.006 3.093 -14.741 1.00 0.00 C ATOM 813 O ASP A 53 10.124 4.308 -14.584 1.00 0.00 O ATOM 814 CB ASP A 53 11.950 1.590 -15.211 1.00 0.00 C ATOM 815 CG ASP A 53 11.232 0.708 -16.214 1.00 0.00 C ATOM 816 OD1 ASP A 53 11.020 -0.485 -15.911 1.00 0.00 O ATOM 817 OD2 ASP A 53 10.880 1.211 -17.301 1.00 0.00 O ATOM 0 H ASP A 53 9.620 0.563 -14.020 1.00 0.00 H new ATOM 0 HA ASP A 53 11.602 2.663 -13.383 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.412 2.428 -15.734 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.755 1.023 -14.744 1.00 0.00 H new ATOM 822 N GLN A 54 9.018 2.545 -15.440 1.00 0.00 N ATOM 823 CA GLN A 54 7.991 3.360 -16.079 1.00 0.00 C ATOM 824 C GLN A 54 8.620 4.456 -16.934 1.00 0.00 C ATOM 825 O GLN A 54 8.046 5.532 -17.102 1.00 0.00 O ATOM 826 CB GLN A 54 7.075 3.983 -15.024 1.00 0.00 C ATOM 827 CG GLN A 54 6.528 2.978 -14.023 1.00 0.00 C ATOM 828 CD GLN A 54 5.604 1.961 -14.663 1.00 0.00 C ATOM 829 OE1 GLN A 54 5.415 1.956 -15.880 1.00 0.00 O ATOM 830 NE2 GLN A 54 5.022 1.092 -13.845 1.00 0.00 N ATOM 0 H GLN A 54 8.906 1.541 -15.579 1.00 0.00 H new ATOM 0 HA GLN A 54 7.400 2.713 -16.727 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.626 4.755 -14.487 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.241 4.476 -15.524 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.358 2.458 -13.545 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.990 3.509 -13.238 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.207 1.132 -12.843 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.390 0.384 -14.219 1.00 0.00 H new ATOM 839 N SER A 55 9.802 4.174 -17.472 1.00 0.00 N ATOM 840 CA SER A 55 10.511 5.138 -18.306 1.00 0.00 C ATOM 841 C SER A 55 10.113 4.984 -19.771 1.00 0.00 C ATOM 842 O SER A 55 9.629 5.925 -20.397 1.00 0.00 O ATOM 843 CB SER A 55 12.023 4.960 -18.155 1.00 0.00 C ATOM 844 OG SER A 55 12.710 6.162 -18.455 1.00 0.00 O ATOM 0 H SER A 55 10.289 3.287 -17.346 1.00 0.00 H new ATOM 0 HA SER A 55 10.236 6.140 -17.976 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.256 4.649 -17.137 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.367 4.166 -18.818 1.00 0.00 H new ATOM 0 HG SER A 55 13.674 6.023 -18.349 1.00 0.00 H new ATOM 850 N GLY A 56 10.322 3.787 -20.312 1.00 0.00 N ATOM 851 CA GLY A 56 9.980 3.530 -21.699 1.00 0.00 C ATOM 852 C GLY A 56 9.553 2.095 -21.934 1.00 0.00 C ATOM 853 O GLY A 56 8.605 1.835 -22.676 1.00 0.00 O ATOM 0 H GLY A 56 10.722 2.991 -19.815 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.175 4.200 -22.002 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.839 3.758 -22.330 1.00 0.00 H new ATOM 857 N PHE A 57 10.254 1.159 -21.302 1.00 0.00 N ATOM 858 CA PHE A 57 9.943 -0.258 -21.449 1.00 0.00 C ATOM 859 C PHE A 57 10.608 -1.077 -20.347 1.00 0.00 C ATOM 860 O PHE A 57 11.462 -0.576 -19.615 1.00 0.00 O ATOM 861 CB PHE A 57 10.398 -0.763 -22.820 1.00 0.00 C ATOM 862 CG PHE A 57 11.804 -0.367 -23.168 1.00 0.00 C ATOM 863 CD1 PHE A 57 12.067 0.854 -23.767 1.00 0.00 C ATOM 864 CD2 PHE A 57 12.864 -1.217 -22.896 1.00 0.00 C ATOM 865 CE1 PHE A 57 13.360 1.221 -24.088 1.00 0.00 C ATOM 866 CE2 PHE A 57 14.160 -0.855 -23.214 1.00 0.00 C ATOM 867 CZ PHE A 57 14.408 0.365 -23.812 1.00 0.00 C ATOM 0 H PHE A 57 11.041 1.356 -20.684 1.00 0.00 H new ATOM 0 HA PHE A 57 8.863 -0.378 -21.366 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.319 -1.850 -22.843 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.721 -0.378 -23.583 1.00 0.00 H new ATOM 0 HD1 PHE A 57 11.252 1.527 -23.986 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.676 -2.173 -22.430 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.551 2.176 -24.554 1.00 0.00 H new ATOM 0 HE2 PHE A 57 14.978 -1.526 -22.995 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.419 0.649 -24.063 1.00 0.00 H new ATOM 877 N ILE A 58 10.210 -2.340 -20.234 1.00 0.00 N ATOM 878 CA ILE A 58 10.767 -3.229 -19.222 1.00 0.00 C ATOM 879 C ILE A 58 11.991 -3.968 -19.753 1.00 0.00 C ATOM 880 O ILE A 58 12.205 -4.044 -20.963 1.00 0.00 O ATOM 881 CB ILE A 58 9.727 -4.259 -18.743 1.00 0.00 C ATOM 882 CG1 ILE A 58 8.342 -3.615 -18.656 1.00 0.00 C ATOM 883 CG2 ILE A 58 10.135 -4.836 -17.396 1.00 0.00 C ATOM 884 CD1 ILE A 58 7.263 -4.564 -18.183 1.00 0.00 C ATOM 0 H ILE A 58 9.504 -2.771 -20.831 1.00 0.00 H new ATOM 0 HA ILE A 58 11.061 -2.603 -18.379 1.00 0.00 H new ATOM 0 HB ILE A 58 9.683 -5.073 -19.467 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.388 -2.763 -17.978 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.068 -3.227 -19.637 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.390 -5.562 -17.071 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.104 -5.327 -17.489 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.204 -4.033 -16.662 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.308 -4.040 -18.145 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.189 -5.404 -18.874 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.514 -4.933 -17.188 1.00 0.00 H new ATOM 896 N GLU A 59 12.789 -4.512 -18.840 1.00 0.00 N ATOM 897 CA GLU A 59 13.991 -5.246 -19.218 1.00 0.00 C ATOM 898 C GLU A 59 14.341 -6.295 -18.166 1.00 0.00 C ATOM 899 O GLU A 59 13.760 -6.318 -17.082 1.00 0.00 O ATOM 900 CB GLU A 59 15.166 -4.284 -19.405 1.00 0.00 C ATOM 901 CG GLU A 59 16.198 -4.771 -20.408 1.00 0.00 C ATOM 902 CD GLU A 59 17.098 -3.657 -20.907 1.00 0.00 C ATOM 903 OE1 GLU A 59 17.016 -2.537 -20.360 1.00 0.00 O ATOM 904 OE2 GLU A 59 17.885 -3.905 -21.844 1.00 0.00 O ATOM 0 H GLU A 59 12.625 -4.459 -17.835 1.00 0.00 H new ATOM 0 HA GLU A 59 13.793 -5.754 -20.162 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.784 -3.316 -19.730 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.653 -4.127 -18.443 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.809 -5.547 -19.947 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.688 -5.228 -21.256 1.00 0.00 H new ATOM 911 N GLU A 60 15.294 -7.162 -18.497 1.00 0.00 N ATOM 912 CA GLU A 60 15.720 -8.214 -17.581 1.00 0.00 C ATOM 913 C GLU A 60 16.253 -7.620 -16.281 1.00 0.00 C ATOM 914 O GLU A 60 16.266 -8.282 -15.243 1.00 0.00 O ATOM 915 CB GLU A 60 16.793 -9.086 -18.235 1.00 0.00 C ATOM 916 CG GLU A 60 16.289 -9.879 -19.429 1.00 0.00 C ATOM 917 CD GLU A 60 17.400 -10.253 -20.392 1.00 0.00 C ATOM 918 OE1 GLU A 60 17.932 -9.346 -21.066 1.00 0.00 O ATOM 919 OE2 GLU A 60 17.736 -11.453 -20.472 1.00 0.00 O ATOM 0 H GLU A 60 15.785 -7.156 -19.391 1.00 0.00 H new ATOM 0 HA GLU A 60 14.853 -8.832 -17.349 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.620 -8.452 -18.554 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.190 -9.777 -17.492 1.00 0.00 H new ATOM 0 HG2 GLU A 60 15.798 -10.786 -19.077 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.537 -9.294 -19.958 1.00 0.00 H new ATOM 926 N ASP A 61 16.694 -6.368 -16.346 1.00 0.00 N ATOM 927 CA ASP A 61 17.228 -5.684 -15.174 1.00 0.00 C ATOM 928 C ASP A 61 16.122 -5.382 -14.169 1.00 0.00 C ATOM 929 O ASP A 61 16.391 -4.982 -13.037 1.00 0.00 O ATOM 930 CB ASP A 61 17.926 -4.388 -15.589 1.00 0.00 C ATOM 931 CG ASP A 61 18.884 -3.881 -14.529 1.00 0.00 C ATOM 932 OD1 ASP A 61 19.427 -4.714 -13.773 1.00 0.00 O ATOM 933 OD2 ASP A 61 19.091 -2.652 -14.454 1.00 0.00 O ATOM 0 H ASP A 61 16.692 -5.807 -17.198 1.00 0.00 H new ATOM 0 HA ASP A 61 17.954 -6.343 -14.698 1.00 0.00 H new ATOM 0 HB2 ASP A 61 18.471 -4.554 -16.518 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.176 -3.624 -15.792 1.00 0.00 H new ATOM 938 N GLU A 62 14.876 -5.574 -14.592 1.00 0.00 N ATOM 939 CA GLU A 62 13.729 -5.320 -13.729 1.00 0.00 C ATOM 940 C GLU A 62 12.940 -6.603 -13.481 1.00 0.00 C ATOM 941 O GLU A 62 11.732 -6.565 -13.242 1.00 0.00 O ATOM 942 CB GLU A 62 12.818 -4.260 -14.352 1.00 0.00 C ATOM 943 CG GLU A 62 13.240 -2.835 -14.038 1.00 0.00 C ATOM 944 CD GLU A 62 13.080 -2.488 -12.571 1.00 0.00 C ATOM 945 OE1 GLU A 62 12.726 -3.390 -11.783 1.00 0.00 O ATOM 946 OE2 GLU A 62 13.308 -1.314 -12.211 1.00 0.00 O ATOM 0 H GLU A 62 14.636 -5.904 -15.527 1.00 0.00 H new ATOM 0 HA GLU A 62 14.101 -4.952 -12.773 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.803 -4.396 -15.433 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.799 -4.415 -13.997 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.281 -2.696 -14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.647 -2.144 -14.637 1.00 0.00 H new ATOM 953 N LEU A 63 13.630 -7.736 -13.540 1.00 0.00 N ATOM 954 CA LEU A 63 12.995 -9.031 -13.323 1.00 0.00 C ATOM 955 C LEU A 63 13.725 -9.821 -12.241 1.00 0.00 C ATOM 956 O LEU A 63 13.101 -10.395 -11.348 1.00 0.00 O ATOM 957 CB LEU A 63 12.968 -9.833 -14.625 1.00 0.00 C ATOM 958 CG LEU A 63 12.533 -9.068 -15.876 1.00 0.00 C ATOM 959 CD1 LEU A 63 12.549 -9.980 -17.092 1.00 0.00 C ATOM 960 CD2 LEU A 63 11.150 -8.464 -15.677 1.00 0.00 C ATOM 0 H LEU A 63 14.630 -7.784 -13.736 1.00 0.00 H new ATOM 0 HA LEU A 63 11.972 -8.855 -12.991 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.965 -10.238 -14.799 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.298 -10.682 -14.491 1.00 0.00 H new ATOM 0 HG LEU A 63 13.241 -8.257 -16.047 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.237 -9.418 -17.972 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.558 -10.364 -17.246 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.864 -10.813 -16.931 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.856 -7.923 -16.577 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.431 -9.259 -15.480 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.171 -7.777 -14.831 1.00 0.00 H new ATOM 972 N LYS A 64 15.051 -9.844 -12.326 1.00 0.00 N ATOM 973 CA LYS A 64 15.867 -10.560 -11.353 1.00 0.00 C ATOM 974 C LYS A 64 15.647 -10.010 -9.948 1.00 0.00 C ATOM 975 O LYS A 64 16.087 -10.603 -8.962 1.00 0.00 O ATOM 976 CB LYS A 64 17.348 -10.458 -11.726 1.00 0.00 C ATOM 977 CG LYS A 64 17.795 -9.044 -12.058 1.00 0.00 C ATOM 978 CD LYS A 64 19.287 -8.864 -11.831 1.00 0.00 C ATOM 979 CE LYS A 64 19.838 -7.702 -12.643 1.00 0.00 C ATOM 980 NZ LYS A 64 20.779 -8.162 -13.701 1.00 0.00 N ATOM 0 H LYS A 64 15.583 -9.375 -13.059 1.00 0.00 H new ATOM 0 HA LYS A 64 15.566 -11.608 -11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 64 17.949 -10.836 -10.899 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.544 -11.103 -12.583 1.00 0.00 H new ATOM 0 HG2 LYS A 64 17.554 -8.820 -13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 64 17.244 -8.333 -11.443 1.00 0.00 H new ATOM 0 HD2 LYS A 64 19.477 -8.691 -10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.811 -9.780 -12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 64 19.014 -7.157 -13.102 1.00 0.00 H new ATOM 0 HE3 LYS A 64 20.350 -7.006 -11.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 21.133 -7.341 -14.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.579 -8.660 -13.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 20.284 -8.807 -14.350 1.00 0.00 H new ATOM 994 N TYR A 65 14.962 -8.875 -9.862 1.00 0.00 N ATOM 995 CA TYR A 65 14.684 -8.245 -8.577 1.00 0.00 C ATOM 996 C TYR A 65 13.189 -8.264 -8.273 1.00 0.00 C ATOM 997 O TYR A 65 12.663 -7.355 -7.631 1.00 0.00 O ATOM 998 CB TYR A 65 15.199 -6.805 -8.570 1.00 0.00 C ATOM 999 CG TYR A 65 16.698 -6.698 -8.401 1.00 0.00 C ATOM 1000 CD1 TYR A 65 17.276 -6.693 -7.138 1.00 0.00 C ATOM 1001 CD2 TYR A 65 17.536 -6.602 -9.505 1.00 0.00 C ATOM 1002 CE1 TYR A 65 18.645 -6.595 -6.979 1.00 0.00 C ATOM 1003 CE2 TYR A 65 18.906 -6.505 -9.356 1.00 0.00 C ATOM 1004 CZ TYR A 65 19.455 -6.502 -8.091 1.00 0.00 C ATOM 1005 OH TYR A 65 20.819 -6.405 -7.938 1.00 0.00 O ATOM 0 H TYR A 65 14.589 -8.372 -10.667 1.00 0.00 H new ATOM 0 HA TYR A 65 15.201 -8.813 -7.803 1.00 0.00 H new ATOM 0 HB2 TYR A 65 14.912 -6.321 -9.503 1.00 0.00 H new ATOM 0 HB3 TYR A 65 14.711 -6.258 -7.764 1.00 0.00 H new ATOM 0 HD1 TYR A 65 16.644 -6.767 -6.265 1.00 0.00 H new ATOM 0 HD2 TYR A 65 17.109 -6.603 -10.497 1.00 0.00 H new ATOM 0 HE1 TYR A 65 19.078 -6.591 -5.990 1.00 0.00 H new ATOM 0 HE2 TYR A 65 19.543 -6.432 -10.225 1.00 0.00 H new ATOM 0 HH TYR A 65 21.244 -6.349 -8.819 1.00 0.00 H new ATOM 1015 N PHE A 66 12.511 -9.307 -8.739 1.00 0.00 N ATOM 1016 CA PHE A 66 11.076 -9.447 -8.518 1.00 0.00 C ATOM 1017 C PHE A 66 10.791 -9.995 -7.123 1.00 0.00 C ATOM 1018 O PHE A 66 10.254 -9.292 -6.265 1.00 0.00 O ATOM 1019 CB PHE A 66 10.463 -10.368 -9.575 1.00 0.00 C ATOM 1020 CG PHE A 66 8.964 -10.292 -9.640 1.00 0.00 C ATOM 1021 CD1 PHE A 66 8.339 -9.338 -10.426 1.00 0.00 C ATOM 1022 CD2 PHE A 66 8.181 -11.175 -8.914 1.00 0.00 C ATOM 1023 CE1 PHE A 66 6.960 -9.266 -10.488 1.00 0.00 C ATOM 1024 CE2 PHE A 66 6.802 -11.108 -8.972 1.00 0.00 C ATOM 1025 CZ PHE A 66 6.190 -10.151 -9.759 1.00 0.00 C ATOM 0 H PHE A 66 12.932 -10.068 -9.272 1.00 0.00 H new ATOM 0 HA PHE A 66 10.623 -8.459 -8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.874 -10.112 -10.551 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.758 -11.396 -9.365 1.00 0.00 H new ATOM 0 HD1 PHE A 66 8.936 -8.642 -10.997 1.00 0.00 H new ATOM 0 HD2 PHE A 66 8.654 -11.924 -8.296 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.485 -8.518 -11.106 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.203 -11.803 -8.403 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.112 -10.095 -9.804 1.00 0.00 H new ATOM 1035 N LEU A 67 11.154 -11.254 -6.903 1.00 0.00 N ATOM 1036 CA LEU A 67 10.937 -11.898 -5.612 1.00 0.00 C ATOM 1037 C LEU A 67 11.580 -11.093 -4.488 1.00 0.00 C ATOM 1038 O LEU A 67 11.160 -11.177 -3.334 1.00 0.00 O ATOM 1039 CB LEU A 67 11.506 -13.318 -5.627 1.00 0.00 C ATOM 1040 CG LEU A 67 11.179 -14.158 -6.862 1.00 0.00 C ATOM 1041 CD1 LEU A 67 11.763 -15.556 -6.727 1.00 0.00 C ATOM 1042 CD2 LEU A 67 9.674 -14.226 -7.079 1.00 0.00 C ATOM 0 H LEU A 67 11.600 -11.849 -7.601 1.00 0.00 H new ATOM 0 HA LEU A 67 9.863 -11.945 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.590 -13.255 -5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.139 -13.845 -4.746 1.00 0.00 H new ATOM 0 HG LEU A 67 11.630 -13.680 -7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.520 -16.139 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.846 -15.489 -6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.342 -16.043 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.461 -14.828 -7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.201 -14.679 -6.208 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.281 -13.219 -7.222 1.00 0.00 H new ATOM 1054 N GLN A 68 12.599 -10.312 -4.833 1.00 0.00 N ATOM 1055 CA GLN A 68 13.298 -9.491 -3.852 1.00 0.00 C ATOM 1056 C GLN A 68 12.312 -8.660 -3.036 1.00 0.00 C ATOM 1057 O GLN A 68 12.580 -8.315 -1.885 1.00 0.00 O ATOM 1058 CB GLN A 68 14.304 -8.572 -4.548 1.00 0.00 C ATOM 1059 CG GLN A 68 15.391 -8.049 -3.623 1.00 0.00 C ATOM 1060 CD GLN A 68 16.777 -8.173 -4.224 1.00 0.00 C ATOM 1061 OE1 GLN A 68 17.562 -7.224 -4.203 1.00 0.00 O ATOM 1062 NE2 GLN A 68 17.086 -9.346 -4.764 1.00 0.00 N ATOM 0 H GLN A 68 12.958 -10.231 -5.784 1.00 0.00 H new ATOM 0 HA GLN A 68 13.833 -10.156 -3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 68 14.769 -9.114 -5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 68 13.771 -7.727 -4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 68 15.192 -7.003 -3.390 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.357 -8.597 -2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 68 16.405 -10.105 -4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 68 18.005 -9.488 -5.184 1.00 0.00 H new ATOM 1071 N ARG A 69 11.172 -8.342 -3.640 1.00 0.00 N ATOM 1072 CA ARG A 69 10.148 -7.550 -2.971 1.00 0.00 C ATOM 1073 C ARG A 69 9.222 -8.442 -2.148 1.00 0.00 C ATOM 1074 O ARG A 69 9.256 -8.422 -0.918 1.00 0.00 O ATOM 1075 CB ARG A 69 9.333 -6.759 -3.996 1.00 0.00 C ATOM 1076 CG ARG A 69 10.069 -5.556 -4.563 1.00 0.00 C ATOM 1077 CD ARG A 69 10.046 -4.383 -3.596 1.00 0.00 C ATOM 1078 NE ARG A 69 11.108 -4.475 -2.598 1.00 0.00 N ATOM 1079 CZ ARG A 69 12.366 -4.117 -2.829 1.00 0.00 C ATOM 1080 NH1 ARG A 69 12.718 -3.646 -4.017 1.00 0.00 N ATOM 1081 NH2 ARG A 69 13.276 -4.230 -1.869 1.00 0.00 N ATOM 0 H ARG A 69 10.934 -8.621 -4.592 1.00 0.00 H new ATOM 0 HA ARG A 69 10.646 -6.853 -2.298 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.053 -7.422 -4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.408 -6.421 -3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.101 -5.829 -4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.612 -5.260 -5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.152 -3.452 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.079 -4.346 -3.094 1.00 0.00 H new ATOM 0 HE ARG A 69 10.871 -4.834 -1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 69 12.022 -3.558 -4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.685 -3.372 -4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.009 -4.592 -0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.242 -3.955 -2.047 1.00 0.00 H new ATOM 1095 N PHE A 70 8.396 -9.223 -2.836 1.00 0.00 N ATOM 1096 CA PHE A 70 7.460 -10.121 -2.170 1.00 0.00 C ATOM 1097 C PHE A 70 8.177 -10.982 -1.134 1.00 0.00 C ATOM 1098 O PHE A 70 7.873 -10.921 0.056 1.00 0.00 O ATOM 1099 CB PHE A 70 6.759 -11.014 -3.196 1.00 0.00 C ATOM 1100 CG PHE A 70 6.035 -10.246 -4.264 1.00 0.00 C ATOM 1101 CD1 PHE A 70 4.743 -9.792 -4.054 1.00 0.00 C ATOM 1102 CD2 PHE A 70 6.646 -9.978 -5.478 1.00 0.00 C ATOM 1103 CE1 PHE A 70 4.074 -9.084 -5.034 1.00 0.00 C ATOM 1104 CE2 PHE A 70 5.982 -9.270 -6.462 1.00 0.00 C ATOM 1105 CZ PHE A 70 4.694 -8.824 -6.241 1.00 0.00 C ATOM 0 H PHE A 70 8.356 -9.252 -3.855 1.00 0.00 H new ATOM 0 HA PHE A 70 6.714 -9.514 -1.658 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.498 -11.664 -3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.049 -11.659 -2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.253 -9.994 -3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.652 -10.326 -5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.068 -8.734 -4.857 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.470 -9.066 -7.403 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.172 -8.273 -7.010 1.00 0.00 H new ATOM 1115 N GLU A 71 9.130 -11.785 -1.598 1.00 0.00 N ATOM 1116 CA GLU A 71 9.889 -12.660 -0.713 1.00 0.00 C ATOM 1117 C GLU A 71 10.465 -11.877 0.464 1.00 0.00 C ATOM 1118 O GLU A 71 10.423 -10.647 0.484 1.00 0.00 O ATOM 1119 CB GLU A 71 11.018 -13.348 -1.483 1.00 0.00 C ATOM 1120 CG GLU A 71 11.417 -14.695 -0.905 1.00 0.00 C ATOM 1121 CD GLU A 71 11.629 -15.749 -1.975 1.00 0.00 C ATOM 1122 OE1 GLU A 71 12.687 -15.719 -2.637 1.00 0.00 O ATOM 1123 OE2 GLU A 71 10.735 -16.604 -2.149 1.00 0.00 O ATOM 0 H GLU A 71 9.394 -11.847 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 71 9.209 -13.419 -0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.709 -13.484 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.890 -12.694 -1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.333 -14.581 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.644 -15.033 -0.215 1.00 0.00 H new ATOM 1130 N SER A 72 11.001 -12.599 1.442 1.00 0.00 N ATOM 1131 CA SER A 72 11.581 -11.973 2.625 1.00 0.00 C ATOM 1132 C SER A 72 12.765 -11.089 2.245 1.00 0.00 C ATOM 1133 O SER A 72 12.996 -10.046 2.856 1.00 0.00 O ATOM 1134 CB SER A 72 12.028 -13.041 3.626 1.00 0.00 C ATOM 1135 OG SER A 72 12.485 -12.451 4.830 1.00 0.00 O ATOM 0 H SER A 72 11.046 -13.618 1.439 1.00 0.00 H new ATOM 0 HA SER A 72 10.817 -11.349 3.088 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.198 -13.714 3.839 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.823 -13.644 3.188 1.00 0.00 H new ATOM 0 HG SER A 72 12.763 -13.154 5.454 1.00 0.00 H new ATOM 1141 N GLY A 73 13.512 -11.514 1.231 1.00 0.00 N ATOM 1142 CA GLY A 73 14.663 -10.750 0.786 1.00 0.00 C ATOM 1143 C GLY A 73 15.479 -11.485 -0.258 1.00 0.00 C ATOM 1144 O GLY A 73 16.660 -11.763 -0.050 1.00 0.00 O ATOM 0 H GLY A 73 13.341 -12.374 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.326 -9.798 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.297 -10.521 1.643 1.00 0.00 H new ATOM 1148 N ALA A 74 14.848 -11.803 -1.383 1.00 0.00 N ATOM 1149 CA ALA A 74 15.524 -12.511 -2.464 1.00 0.00 C ATOM 1150 C ALA A 74 16.803 -11.791 -2.876 1.00 0.00 C ATOM 1151 O ALA A 74 17.100 -10.703 -2.384 1.00 0.00 O ATOM 1152 CB ALA A 74 14.593 -12.663 -3.658 1.00 0.00 C ATOM 0 H ALA A 74 13.870 -11.582 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 74 15.797 -13.502 -2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 74 15.110 -13.193 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.709 -13.228 -3.361 1.00 0.00 H new ATOM 0 HB3 ALA A 74 14.292 -11.677 -4.012 1.00 0.00 H new ATOM 1158 N ARG A 75 17.557 -12.406 -3.782 1.00 0.00 N ATOM 1159 CA ARG A 75 18.806 -11.824 -4.259 1.00 0.00 C ATOM 1160 C ARG A 75 18.787 -11.665 -5.776 1.00 0.00 C ATOM 1161 O ARG A 75 19.047 -10.582 -6.301 1.00 0.00 O ATOM 1162 CB ARG A 75 19.991 -12.696 -3.842 1.00 0.00 C ATOM 1163 CG ARG A 75 19.656 -14.175 -3.746 1.00 0.00 C ATOM 1164 CD ARG A 75 20.856 -14.990 -3.289 1.00 0.00 C ATOM 1165 NE ARG A 75 20.466 -16.106 -2.431 1.00 0.00 N ATOM 1166 CZ ARG A 75 19.831 -17.186 -2.873 1.00 0.00 C ATOM 1167 NH1 ARG A 75 19.518 -17.296 -4.157 1.00 0.00 N ATOM 1168 NH2 ARG A 75 19.510 -18.159 -2.031 1.00 0.00 N ATOM 0 H ARG A 75 17.325 -13.307 -4.200 1.00 0.00 H new ATOM 0 HA ARG A 75 18.913 -10.837 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.800 -12.562 -4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 75 20.361 -12.353 -2.876 1.00 0.00 H new ATOM 0 HG2 ARG A 75 18.831 -14.318 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 75 19.318 -14.536 -4.717 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.388 -15.372 -4.160 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.549 -14.344 -2.750 1.00 0.00 H new ATOM 0 HE ARG A 75 20.694 -16.053 -1.438 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.765 -16.550 -4.808 1.00 0.00 H new ATOM 0 HH12 ARG A 75 19.030 -18.126 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 75 19.751 -18.079 -1.043 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.022 -18.988 -2.371 1.00 0.00 H new ATOM 1182 N VAL A 76 18.477 -12.751 -6.477 1.00 0.00 N ATOM 1183 CA VAL A 76 18.423 -12.732 -7.934 1.00 0.00 C ATOM 1184 C VAL A 76 17.714 -13.969 -8.473 1.00 0.00 C ATOM 1185 O VAL A 76 17.654 -15.004 -7.808 1.00 0.00 O ATOM 1186 CB VAL A 76 19.834 -12.655 -8.546 1.00 0.00 C ATOM 1187 CG1 VAL A 76 20.214 -11.210 -8.832 1.00 0.00 C ATOM 1188 CG2 VAL A 76 20.851 -13.310 -7.624 1.00 0.00 C ATOM 0 H VAL A 76 18.259 -13.656 -6.059 1.00 0.00 H new ATOM 0 HA VAL A 76 17.862 -11.842 -8.219 1.00 0.00 H new ATOM 0 HB VAL A 76 19.831 -13.199 -9.491 1.00 0.00 H new ATOM 0 HG11 VAL A 76 21.214 -11.175 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.500 -10.778 -9.534 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.200 -10.639 -7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.843 -13.246 -8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 76 20.854 -12.797 -6.662 1.00 0.00 H new ATOM 0 HG23 VAL A 76 20.586 -14.357 -7.476 1.00 0.00 H new ATOM 1198 N LEU A 77 17.177 -13.856 -9.683 1.00 0.00 N ATOM 1199 CA LEU A 77 16.472 -14.965 -10.315 1.00 0.00 C ATOM 1200 C LEU A 77 17.317 -15.590 -11.420 1.00 0.00 C ATOM 1201 O LEU A 77 18.354 -15.049 -11.805 1.00 0.00 O ATOM 1202 CB LEU A 77 15.136 -14.487 -10.887 1.00 0.00 C ATOM 1203 CG LEU A 77 14.013 -14.262 -9.874 1.00 0.00 C ATOM 1204 CD1 LEU A 77 13.187 -13.043 -10.255 1.00 0.00 C ATOM 1205 CD2 LEU A 77 13.130 -15.497 -9.774 1.00 0.00 C ATOM 0 H LEU A 77 17.217 -13.007 -10.246 1.00 0.00 H new ATOM 0 HA LEU A 77 16.284 -15.723 -9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.307 -13.553 -11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.795 -15.218 -11.620 1.00 0.00 H new ATOM 0 HG LEU A 77 14.461 -14.081 -8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.393 -12.898 -9.523 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.827 -12.161 -10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.748 -13.195 -11.241 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.336 -15.319 -9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.690 -15.710 -10.748 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.730 -16.348 -9.453 1.00 0.00 H new ATOM 1217 N THR A 78 16.866 -16.733 -11.928 1.00 0.00 N ATOM 1218 CA THR A 78 17.580 -17.432 -12.990 1.00 0.00 C ATOM 1219 C THR A 78 17.354 -16.759 -14.339 1.00 0.00 C ATOM 1220 O THR A 78 16.727 -15.703 -14.419 1.00 0.00 O ATOM 1221 CB THR A 78 17.144 -18.906 -13.084 1.00 0.00 C ATOM 1222 OG1 THR A 78 15.827 -18.993 -13.641 1.00 0.00 O ATOM 1223 CG2 THR A 78 17.164 -19.565 -11.713 1.00 0.00 C ATOM 0 H THR A 78 16.010 -17.194 -11.621 1.00 0.00 H new ATOM 0 HA THR A 78 18.640 -17.390 -12.739 1.00 0.00 H new ATOM 0 HB THR A 78 17.848 -19.429 -13.732 1.00 0.00 H new ATOM 0 HG1 THR A 78 15.558 -19.934 -13.699 1.00 0.00 H new ATOM 0 HG21 THR A 78 16.852 -20.605 -11.805 1.00 0.00 H new ATOM 0 HG22 THR A 78 18.173 -19.523 -11.304 1.00 0.00 H new ATOM 0 HG23 THR A 78 16.480 -19.039 -11.046 1.00 0.00 H new ATOM 1231 N ALA A 79 17.868 -17.378 -15.397 1.00 0.00 N ATOM 1232 CA ALA A 79 17.719 -16.840 -16.743 1.00 0.00 C ATOM 1233 C ALA A 79 16.430 -17.332 -17.392 1.00 0.00 C ATOM 1234 O ALA A 79 16.188 -17.092 -18.575 1.00 0.00 O ATOM 1235 CB ALA A 79 18.920 -17.218 -17.598 1.00 0.00 C ATOM 0 H ALA A 79 18.391 -18.252 -15.348 1.00 0.00 H new ATOM 0 HA ALA A 79 17.666 -15.754 -16.669 1.00 0.00 H new ATOM 0 HB1 ALA A 79 18.796 -16.810 -18.601 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.827 -16.812 -17.151 1.00 0.00 H new ATOM 0 HB3 ALA A 79 18.998 -18.304 -17.655 1.00 0.00 H new ATOM 1241 N SER A 80 15.606 -18.023 -16.610 1.00 0.00 N ATOM 1242 CA SER A 80 14.343 -18.553 -17.111 1.00 0.00 C ATOM 1243 C SER A 80 13.160 -17.864 -16.437 1.00 0.00 C ATOM 1244 O SER A 80 12.275 -17.333 -17.106 1.00 0.00 O ATOM 1245 CB SER A 80 14.270 -20.063 -16.875 1.00 0.00 C ATOM 1246 OG SER A 80 15.101 -20.761 -17.787 1.00 0.00 O ATOM 0 H SER A 80 15.790 -18.229 -15.628 1.00 0.00 H new ATOM 0 HA SER A 80 14.294 -18.357 -18.182 1.00 0.00 H new ATOM 0 HB2 SER A 80 14.574 -20.290 -15.853 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.240 -20.402 -16.983 1.00 0.00 H new ATOM 0 HG SER A 80 15.039 -21.724 -17.615 1.00 0.00 H new ATOM 1252 N GLU A 81 13.153 -17.879 -15.107 1.00 0.00 N ATOM 1253 CA GLU A 81 12.079 -17.257 -14.342 1.00 0.00 C ATOM 1254 C GLU A 81 11.886 -15.802 -14.760 1.00 0.00 C ATOM 1255 O GLU A 81 10.772 -15.278 -14.731 1.00 0.00 O ATOM 1256 CB GLU A 81 12.380 -17.333 -12.844 1.00 0.00 C ATOM 1257 CG GLU A 81 11.958 -18.645 -12.205 1.00 0.00 C ATOM 1258 CD GLU A 81 12.147 -18.649 -10.700 1.00 0.00 C ATOM 1259 OE1 GLU A 81 11.444 -17.880 -10.011 1.00 0.00 O ATOM 1260 OE2 GLU A 81 12.999 -19.420 -10.212 1.00 0.00 O ATOM 0 H GLU A 81 13.879 -18.315 -14.538 1.00 0.00 H new ATOM 0 HA GLU A 81 11.158 -17.802 -14.548 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.449 -17.190 -12.689 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.872 -16.512 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.910 -18.837 -12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 81 12.535 -19.460 -12.642 1.00 0.00 H new ATOM 1267 N THR A 82 12.979 -15.154 -15.149 1.00 0.00 N ATOM 1268 CA THR A 82 12.932 -13.760 -15.572 1.00 0.00 C ATOM 1269 C THR A 82 12.657 -13.647 -17.067 1.00 0.00 C ATOM 1270 O THR A 82 11.982 -12.721 -17.517 1.00 0.00 O ATOM 1271 CB THR A 82 14.248 -13.029 -15.247 1.00 0.00 C ATOM 1272 OG1 THR A 82 15.352 -13.722 -15.839 1.00 0.00 O ATOM 1273 CG2 THR A 82 14.454 -12.928 -13.743 1.00 0.00 C ATOM 0 H THR A 82 13.909 -15.573 -15.180 1.00 0.00 H new ATOM 0 HA THR A 82 12.118 -13.290 -15.019 1.00 0.00 H new ATOM 0 HB THR A 82 14.189 -12.021 -15.658 1.00 0.00 H new ATOM 0 HG1 THR A 82 15.709 -14.374 -15.201 1.00 0.00 H new ATOM 0 HG21 THR A 82 15.390 -12.408 -13.538 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.627 -12.375 -13.299 1.00 0.00 H new ATOM 0 HG23 THR A 82 14.493 -13.929 -13.313 1.00 0.00 H new ATOM 1281 N LYS A 83 13.183 -14.596 -17.833 1.00 0.00 N ATOM 1282 CA LYS A 83 12.993 -14.605 -19.279 1.00 0.00 C ATOM 1283 C LYS A 83 11.544 -14.919 -19.635 1.00 0.00 C ATOM 1284 O LYS A 83 11.121 -14.740 -20.778 1.00 0.00 O ATOM 1285 CB LYS A 83 13.924 -15.631 -19.930 1.00 0.00 C ATOM 1286 CG LYS A 83 13.692 -15.802 -21.421 1.00 0.00 C ATOM 1287 CD LYS A 83 13.815 -14.480 -22.160 1.00 0.00 C ATOM 1288 CE LYS A 83 13.553 -14.647 -23.649 1.00 0.00 C ATOM 1289 NZ LYS A 83 14.639 -15.415 -24.320 1.00 0.00 N ATOM 0 H LYS A 83 13.745 -15.369 -17.477 1.00 0.00 H new ATOM 0 HA LYS A 83 13.235 -13.612 -19.659 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.958 -15.328 -19.764 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.791 -16.594 -19.437 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.414 -16.513 -21.823 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.701 -16.223 -21.590 1.00 0.00 H new ATOM 0 HD2 LYS A 83 13.108 -13.762 -21.744 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.813 -14.069 -22.009 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.602 -15.159 -23.795 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.461 -13.665 -24.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.486 -15.406 -25.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 15.558 -14.979 -24.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.632 -16.397 -23.977 1.00 0.00 H new ATOM 1303 N THR A 84 10.785 -15.387 -18.649 1.00 0.00 N ATOM 1304 CA THR A 84 9.383 -15.726 -18.859 1.00 0.00 C ATOM 1305 C THR A 84 8.466 -14.643 -18.300 1.00 0.00 C ATOM 1306 O THR A 84 7.309 -14.904 -17.972 1.00 0.00 O ATOM 1307 CB THR A 84 9.026 -17.073 -18.203 1.00 0.00 C ATOM 1308 OG1 THR A 84 7.668 -17.417 -18.498 1.00 0.00 O ATOM 1309 CG2 THR A 84 9.222 -17.010 -16.696 1.00 0.00 C ATOM 0 H THR A 84 11.118 -15.540 -17.697 1.00 0.00 H new ATOM 0 HA THR A 84 9.235 -15.804 -19.936 1.00 0.00 H new ATOM 0 HB THR A 84 9.690 -17.836 -18.608 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.106 -16.616 -18.434 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.964 -17.973 -16.255 1.00 0.00 H new ATOM 0 HG22 THR A 84 10.263 -16.777 -16.474 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.580 -16.235 -16.278 1.00 0.00 H new ATOM 1317 N PHE A 85 8.991 -13.427 -18.196 1.00 0.00 N ATOM 1318 CA PHE A 85 8.219 -12.303 -17.676 1.00 0.00 C ATOM 1319 C PHE A 85 7.852 -11.332 -18.794 1.00 0.00 C ATOM 1320 O PHE A 85 6.674 -11.085 -19.056 1.00 0.00 O ATOM 1321 CB PHE A 85 9.011 -11.572 -16.590 1.00 0.00 C ATOM 1322 CG PHE A 85 8.391 -11.674 -15.225 1.00 0.00 C ATOM 1323 CD1 PHE A 85 8.511 -12.837 -14.481 1.00 0.00 C ATOM 1324 CD2 PHE A 85 7.690 -10.608 -14.687 1.00 0.00 C ATOM 1325 CE1 PHE A 85 7.941 -12.933 -13.225 1.00 0.00 C ATOM 1326 CE2 PHE A 85 7.118 -10.698 -13.432 1.00 0.00 C ATOM 1327 CZ PHE A 85 7.245 -11.862 -12.700 1.00 0.00 C ATOM 0 H PHE A 85 9.947 -13.194 -18.464 1.00 0.00 H new ATOM 0 HA PHE A 85 7.299 -12.696 -17.243 1.00 0.00 H new ATOM 0 HB2 PHE A 85 10.022 -11.979 -16.553 1.00 0.00 H new ATOM 0 HB3 PHE A 85 9.100 -10.520 -16.862 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.055 -13.677 -14.886 1.00 0.00 H new ATOM 0 HD2 PHE A 85 7.589 -9.695 -15.255 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.040 -13.845 -12.655 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.573 -9.859 -13.025 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.801 -11.935 -11.718 1.00 0.00 H new ATOM 1337 N LEU A 86 8.869 -10.784 -19.450 1.00 0.00 N ATOM 1338 CA LEU A 86 8.655 -9.839 -20.541 1.00 0.00 C ATOM 1339 C LEU A 86 8.222 -10.562 -21.812 1.00 0.00 C ATOM 1340 O LEU A 86 7.100 -10.386 -22.287 1.00 0.00 O ATOM 1341 CB LEU A 86 9.931 -9.038 -20.806 1.00 0.00 C ATOM 1342 CG LEU A 86 10.661 -8.511 -19.570 1.00 0.00 C ATOM 1343 CD1 LEU A 86 11.654 -7.427 -19.959 1.00 0.00 C ATOM 1344 CD2 LEU A 86 9.666 -7.983 -18.547 1.00 0.00 C ATOM 0 H LEU A 86 9.849 -10.977 -19.246 1.00 0.00 H new ATOM 0 HA LEU A 86 7.859 -9.156 -20.245 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.620 -9.667 -21.370 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.678 -8.190 -21.443 1.00 0.00 H new ATOM 0 HG LEU A 86 11.212 -9.336 -19.118 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.164 -7.064 -19.067 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.387 -7.837 -20.654 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.124 -6.602 -20.435 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.204 -7.612 -17.674 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.087 -7.172 -18.988 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.994 -8.786 -18.245 1.00 0.00 H new ATOM 1356 N ALA A 87 9.118 -11.379 -22.356 1.00 0.00 N ATOM 1357 CA ALA A 87 8.827 -12.132 -23.569 1.00 0.00 C ATOM 1358 C ALA A 87 7.576 -12.987 -23.398 1.00 0.00 C ATOM 1359 O ALA A 87 6.937 -13.372 -24.377 1.00 0.00 O ATOM 1360 CB ALA A 87 10.016 -13.004 -23.947 1.00 0.00 C ATOM 0 H ALA A 87 10.051 -11.536 -21.976 1.00 0.00 H new ATOM 0 HA ALA A 87 8.642 -11.420 -24.373 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.785 -13.561 -24.855 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.889 -12.374 -24.120 1.00 0.00 H new ATOM 0 HB3 ALA A 87 10.227 -13.702 -23.137 1.00 0.00 H new ATOM 1366 N ALA A 88 7.231 -13.279 -22.148 1.00 0.00 N ATOM 1367 CA ALA A 88 6.055 -14.087 -21.849 1.00 0.00 C ATOM 1368 C ALA A 88 4.821 -13.543 -22.561 1.00 0.00 C ATOM 1369 O ALA A 88 4.202 -14.237 -23.368 1.00 0.00 O ATOM 1370 CB ALA A 88 5.820 -14.141 -20.347 1.00 0.00 C ATOM 0 H ALA A 88 7.749 -12.968 -21.326 1.00 0.00 H new ATOM 0 HA ALA A 88 6.236 -15.098 -22.213 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.939 -14.748 -20.138 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.689 -14.583 -19.858 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.664 -13.132 -19.967 1.00 0.00 H new ATOM 1376 N ALA A 89 4.467 -12.299 -22.255 1.00 0.00 N ATOM 1377 CA ALA A 89 3.307 -11.663 -22.867 1.00 0.00 C ATOM 1378 C ALA A 89 3.358 -11.773 -24.387 1.00 0.00 C ATOM 1379 O ALA A 89 2.634 -12.568 -24.986 1.00 0.00 O ATOM 1380 CB ALA A 89 3.221 -10.204 -22.443 1.00 0.00 C ATOM 0 H ALA A 89 4.967 -11.712 -21.587 1.00 0.00 H new ATOM 0 HA ALA A 89 2.414 -12.184 -22.522 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.350 -9.741 -22.907 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.128 -10.145 -21.359 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.123 -9.679 -22.759 1.00 0.00 H new ATOM 1386 N ASP A 90 4.217 -10.969 -25.004 1.00 0.00 N ATOM 1387 CA ASP A 90 4.363 -10.976 -26.455 1.00 0.00 C ATOM 1388 C ASP A 90 5.736 -10.454 -26.866 1.00 0.00 C ATOM 1389 O ASP A 90 6.544 -10.067 -26.020 1.00 0.00 O ATOM 1390 CB ASP A 90 3.267 -10.128 -27.104 1.00 0.00 C ATOM 1391 CG ASP A 90 2.015 -10.930 -27.400 1.00 0.00 C ATOM 1392 OD1 ASP A 90 2.136 -12.143 -27.669 1.00 0.00 O ATOM 1393 OD2 ASP A 90 0.913 -10.344 -27.362 1.00 0.00 O ATOM 0 H ASP A 90 4.823 -10.304 -24.522 1.00 0.00 H new ATOM 0 HA ASP A 90 4.267 -12.006 -26.799 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.016 -9.297 -26.444 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.646 -9.696 -28.030 1.00 0.00 H new ATOM 1398 N HIS A 91 5.996 -10.447 -28.170 1.00 0.00 N ATOM 1399 CA HIS A 91 7.272 -9.973 -28.693 1.00 0.00 C ATOM 1400 C HIS A 91 7.069 -9.163 -29.970 1.00 0.00 C ATOM 1401 O HIS A 91 7.612 -9.500 -31.022 1.00 0.00 O ATOM 1402 CB HIS A 91 8.205 -11.153 -28.966 1.00 0.00 C ATOM 1403 CG HIS A 91 7.588 -12.219 -29.819 1.00 0.00 C ATOM 1404 ND1 HIS A 91 6.724 -13.173 -29.323 1.00 0.00 N ATOM 1405 CD2 HIS A 91 7.713 -12.478 -31.141 1.00 0.00 C ATOM 1406 CE1 HIS A 91 6.346 -13.973 -30.304 1.00 0.00 C ATOM 1407 NE2 HIS A 91 6.932 -13.572 -31.418 1.00 0.00 N ATOM 0 H HIS A 91 5.340 -10.764 -28.883 1.00 0.00 H new ATOM 0 HA HIS A 91 7.727 -9.326 -27.942 1.00 0.00 H new ATOM 0 HB2 HIS A 91 9.108 -10.786 -29.454 1.00 0.00 H new ATOM 0 HB3 HIS A 91 8.511 -11.591 -28.016 1.00 0.00 H new ATOM 0 HD2 HIS A 91 8.316 -11.926 -31.847 1.00 0.00 H new ATOM 0 HE1 HIS A 91 5.672 -14.812 -30.211 1.00 0.00 H new ATOM 0 HE2 HIS A 91 6.822 -14.005 -32.335 1.00 0.00 H new ATOM 1415 N ASP A 92 6.285 -8.096 -29.869 1.00 0.00 N ATOM 1416 CA ASP A 92 6.010 -7.238 -31.016 1.00 0.00 C ATOM 1417 C ASP A 92 7.307 -6.801 -31.690 1.00 0.00 C ATOM 1418 O ASP A 92 7.346 -6.583 -32.900 1.00 0.00 O ATOM 1419 CB ASP A 92 5.208 -6.010 -30.581 1.00 0.00 C ATOM 1420 CG ASP A 92 5.200 -4.920 -31.635 1.00 0.00 C ATOM 1421 OD1 ASP A 92 4.969 -5.242 -32.819 1.00 0.00 O ATOM 1422 OD2 ASP A 92 5.425 -3.746 -31.275 1.00 0.00 O ATOM 0 H ASP A 92 5.828 -7.804 -29.005 1.00 0.00 H new ATOM 0 HA ASP A 92 5.423 -7.810 -31.734 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.182 -6.308 -30.363 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.628 -5.614 -29.656 1.00 0.00 H new ATOM 1427 N GLY A 93 8.367 -6.673 -30.897 1.00 0.00 N ATOM 1428 CA GLY A 93 9.650 -6.262 -31.435 1.00 0.00 C ATOM 1429 C GLY A 93 10.797 -7.097 -30.901 1.00 0.00 C ATOM 1430 O GLY A 93 11.333 -7.951 -31.607 1.00 0.00 O ATOM 0 H GLY A 93 8.359 -6.847 -29.892 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.625 -6.337 -32.522 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.824 -5.214 -31.192 1.00 0.00 H new ATOM 1434 N ASP A 94 11.177 -6.849 -29.653 1.00 0.00 N ATOM 1435 CA ASP A 94 12.268 -7.584 -29.025 1.00 0.00 C ATOM 1436 C ASP A 94 11.829 -8.173 -27.688 1.00 0.00 C ATOM 1437 O ASP A 94 12.609 -8.831 -27.002 1.00 0.00 O ATOM 1438 CB ASP A 94 13.476 -6.668 -28.820 1.00 0.00 C ATOM 1439 CG ASP A 94 14.688 -7.122 -29.610 1.00 0.00 C ATOM 1440 OD1 ASP A 94 14.882 -8.348 -29.746 1.00 0.00 O ATOM 1441 OD2 ASP A 94 15.440 -6.251 -30.094 1.00 0.00 O ATOM 0 H ASP A 94 10.745 -6.144 -29.056 1.00 0.00 H new ATOM 0 HA ASP A 94 12.550 -8.403 -29.687 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.213 -5.653 -29.116 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.728 -6.636 -27.760 1.00 0.00 H new ATOM 1446 N GLY A 95 10.572 -7.932 -27.325 1.00 0.00 N ATOM 1447 CA GLY A 95 10.051 -8.445 -26.072 1.00 0.00 C ATOM 1448 C GLY A 95 9.814 -7.350 -25.051 1.00 0.00 C ATOM 1449 O GLY A 95 9.754 -7.612 -23.849 1.00 0.00 O ATOM 0 H GLY A 95 9.906 -7.391 -27.877 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.115 -8.971 -26.260 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.750 -9.174 -25.663 1.00 0.00 H new ATOM 1453 N LYS A 96 9.682 -6.117 -25.528 1.00 0.00 N ATOM 1454 CA LYS A 96 9.451 -4.976 -24.649 1.00 0.00 C ATOM 1455 C LYS A 96 7.975 -4.862 -24.283 1.00 0.00 C ATOM 1456 O LYS A 96 7.125 -5.526 -24.877 1.00 0.00 O ATOM 1457 CB LYS A 96 9.923 -3.685 -25.321 1.00 0.00 C ATOM 1458 CG LYS A 96 11.434 -3.535 -25.358 1.00 0.00 C ATOM 1459 CD LYS A 96 12.024 -4.138 -26.622 1.00 0.00 C ATOM 1460 CE LYS A 96 11.803 -3.235 -27.825 1.00 0.00 C ATOM 1461 NZ LYS A 96 12.642 -2.006 -27.758 1.00 0.00 N ATOM 0 H LYS A 96 9.731 -5.882 -26.519 1.00 0.00 H new ATOM 0 HA LYS A 96 10.023 -5.132 -23.734 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.538 -3.654 -26.340 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.495 -2.833 -24.793 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.697 -2.479 -25.301 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.870 -4.020 -24.485 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.092 -4.305 -26.482 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.570 -5.112 -26.808 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.035 -3.783 -28.738 1.00 0.00 H new ATOM 0 HE3 LYS A 96 10.751 -2.954 -27.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.675 -1.556 -28.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.232 -1.343 -27.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.606 -2.260 -27.462 1.00 0.00 H new ATOM 1475 N ILE A 97 7.677 -4.015 -23.303 1.00 0.00 N ATOM 1476 CA ILE A 97 6.303 -3.812 -22.861 1.00 0.00 C ATOM 1477 C ILE A 97 5.989 -2.328 -22.705 1.00 0.00 C ATOM 1478 O ILE A 97 6.872 -1.523 -22.411 1.00 0.00 O ATOM 1479 CB ILE A 97 6.032 -4.525 -21.523 1.00 0.00 C ATOM 1480 CG1 ILE A 97 6.559 -5.961 -21.569 1.00 0.00 C ATOM 1481 CG2 ILE A 97 4.543 -4.512 -21.209 1.00 0.00 C ATOM 1482 CD1 ILE A 97 5.872 -6.824 -22.604 1.00 0.00 C ATOM 0 H ILE A 97 8.369 -3.459 -22.800 1.00 0.00 H new ATOM 0 HA ILE A 97 5.658 -4.239 -23.629 1.00 0.00 H new ATOM 0 HB ILE A 97 6.556 -3.991 -20.731 1.00 0.00 H new ATOM 0 HG12 ILE A 97 7.629 -5.940 -21.777 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.434 -6.417 -20.587 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.367 -5.019 -20.261 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.195 -3.481 -21.139 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.999 -5.026 -22.002 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.296 -7.828 -22.580 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.805 -6.875 -22.385 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.019 -6.391 -23.594 1.00 0.00 H new ATOM 1494 N GLY A 98 4.724 -1.972 -22.904 1.00 0.00 N ATOM 1495 CA GLY A 98 4.314 -0.585 -22.780 1.00 0.00 C ATOM 1496 C GLY A 98 2.974 -0.436 -22.088 1.00 0.00 C ATOM 1497 O GLY A 98 2.051 0.170 -22.632 1.00 0.00 O ATOM 0 H GLY A 98 3.975 -2.620 -23.149 1.00 0.00 H new ATOM 0 HA2 GLY A 98 5.071 -0.034 -22.222 1.00 0.00 H new ATOM 0 HA3 GLY A 98 4.259 -0.136 -23.772 1.00 0.00 H new ATOM 1501 N ALA A 99 2.866 -0.991 -20.885 1.00 0.00 N ATOM 1502 CA ALA A 99 1.629 -0.916 -20.118 1.00 0.00 C ATOM 1503 C ALA A 99 0.435 -1.359 -20.957 1.00 0.00 C ATOM 1504 O ALA A 99 -0.615 -0.718 -20.945 1.00 0.00 O ATOM 1505 CB ALA A 99 1.416 0.498 -19.597 1.00 0.00 C ATOM 0 H ALA A 99 3.620 -1.497 -20.421 1.00 0.00 H new ATOM 0 HA ALA A 99 1.715 -1.595 -19.269 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.488 0.539 -19.026 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.251 0.779 -18.954 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.356 1.190 -20.437 1.00 0.00 H new ATOM 1511 N GLU A 100 0.604 -2.459 -21.684 1.00 0.00 N ATOM 1512 CA GLU A 100 -0.461 -2.985 -22.530 1.00 0.00 C ATOM 1513 C GLU A 100 -0.324 -4.496 -22.700 1.00 0.00 C ATOM 1514 O GLU A 100 -1.319 -5.219 -22.726 1.00 0.00 O ATOM 1515 CB GLU A 100 -0.439 -2.303 -23.900 1.00 0.00 C ATOM 1516 CG GLU A 100 -0.888 -0.852 -23.865 1.00 0.00 C ATOM 1517 CD GLU A 100 -1.149 -0.289 -25.248 1.00 0.00 C ATOM 1518 OE1 GLU A 100 -0.181 0.146 -25.905 1.00 0.00 O ATOM 1519 OE2 GLU A 100 -2.324 -0.283 -25.673 1.00 0.00 O ATOM 0 H GLU A 100 1.467 -3.002 -21.704 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.414 -2.776 -22.043 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.572 -2.352 -24.305 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -1.083 -2.857 -24.583 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.795 -0.771 -23.266 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.125 -0.251 -23.370 1.00 0.00 H new ATOM 1526 N GLU A 101 0.915 -4.963 -22.815 1.00 0.00 N ATOM 1527 CA GLU A 101 1.181 -6.387 -22.983 1.00 0.00 C ATOM 1528 C GLU A 101 1.042 -7.127 -21.656 1.00 0.00 C ATOM 1529 O GLU A 101 0.291 -8.096 -21.549 1.00 0.00 O ATOM 1530 CB GLU A 101 2.584 -6.601 -23.555 1.00 0.00 C ATOM 1531 CG GLU A 101 2.818 -5.891 -24.877 1.00 0.00 C ATOM 1532 CD GLU A 101 3.996 -6.459 -25.645 1.00 0.00 C ATOM 1533 OE1 GLU A 101 4.425 -7.587 -25.324 1.00 0.00 O ATOM 1534 OE2 GLU A 101 4.488 -5.775 -26.567 1.00 0.00 O ATOM 0 H GLU A 101 1.750 -4.377 -22.795 1.00 0.00 H new ATOM 0 HA GLU A 101 0.446 -6.788 -23.681 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.320 -6.252 -22.830 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.752 -7.669 -23.691 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.920 -5.967 -25.489 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.988 -4.831 -24.690 1.00 0.00 H new ATOM 1541 N PHE A 102 1.772 -6.663 -20.647 1.00 0.00 N ATOM 1542 CA PHE A 102 1.733 -7.281 -19.327 1.00 0.00 C ATOM 1543 C PHE A 102 0.319 -7.246 -18.752 1.00 0.00 C ATOM 1544 O PHE A 102 -0.030 -8.048 -17.887 1.00 0.00 O ATOM 1545 CB PHE A 102 2.699 -6.570 -18.378 1.00 0.00 C ATOM 1546 CG PHE A 102 3.380 -7.496 -17.410 1.00 0.00 C ATOM 1547 CD1 PHE A 102 2.664 -8.101 -16.390 1.00 0.00 C ATOM 1548 CD2 PHE A 102 4.735 -7.761 -17.521 1.00 0.00 C ATOM 1549 CE1 PHE A 102 3.287 -8.954 -15.498 1.00 0.00 C ATOM 1550 CE2 PHE A 102 5.363 -8.613 -16.633 1.00 0.00 C ATOM 1551 CZ PHE A 102 4.639 -9.209 -15.619 1.00 0.00 C ATOM 0 H PHE A 102 2.398 -5.861 -20.718 1.00 0.00 H new ATOM 0 HA PHE A 102 2.039 -8.322 -19.432 1.00 0.00 H new ATOM 0 HB2 PHE A 102 3.456 -6.051 -18.965 1.00 0.00 H new ATOM 0 HB3 PHE A 102 2.153 -5.810 -17.819 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.607 -7.904 -16.290 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.307 -7.296 -18.311 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.717 -9.420 -14.708 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.420 -8.813 -16.732 1.00 0.00 H new ATOM 0 HZ PHE A 102 5.129 -9.873 -14.922 1.00 0.00 H new ATOM 1561 N GLN A 103 -0.488 -6.309 -19.240 1.00 0.00 N ATOM 1562 CA GLN A 103 -1.862 -6.168 -18.774 1.00 0.00 C ATOM 1563 C GLN A 103 -2.754 -7.252 -19.371 1.00 0.00 C ATOM 1564 O GLN A 103 -3.500 -7.919 -18.655 1.00 0.00 O ATOM 1565 CB GLN A 103 -2.407 -4.786 -19.138 1.00 0.00 C ATOM 1566 CG GLN A 103 -2.020 -3.699 -18.148 1.00 0.00 C ATOM 1567 CD GLN A 103 -0.525 -3.634 -17.907 1.00 0.00 C ATOM 1568 OE1 GLN A 103 -0.066 -3.682 -16.766 1.00 0.00 O ATOM 1569 NE2 GLN A 103 0.244 -3.525 -18.984 1.00 0.00 N ATOM 0 H GLN A 103 -0.214 -5.637 -19.957 1.00 0.00 H new ATOM 0 HA GLN A 103 -1.864 -6.278 -17.690 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.043 -4.510 -20.128 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.494 -4.838 -19.201 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -2.366 -2.735 -18.520 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.529 -3.877 -17.201 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.179 -3.489 -19.911 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.258 -3.478 -18.884 1.00 0.00 H new ATOM 1578 N GLU A 104 -2.670 -7.422 -20.687 1.00 0.00 N ATOM 1579 CA GLU A 104 -3.471 -8.425 -21.379 1.00 0.00 C ATOM 1580 C GLU A 104 -3.042 -9.834 -20.981 1.00 0.00 C ATOM 1581 O GLU A 104 -3.763 -10.803 -21.213 1.00 0.00 O ATOM 1582 CB GLU A 104 -3.347 -8.252 -22.895 1.00 0.00 C ATOM 1583 CG GLU A 104 -2.162 -8.988 -23.496 1.00 0.00 C ATOM 1584 CD GLU A 104 -1.593 -8.283 -24.713 1.00 0.00 C ATOM 1585 OE1 GLU A 104 -2.326 -7.481 -25.329 1.00 0.00 O ATOM 1586 OE2 GLU A 104 -0.417 -8.534 -25.049 1.00 0.00 O ATOM 0 H GLU A 104 -2.056 -6.879 -21.294 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.512 -8.285 -21.088 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.262 -8.606 -23.369 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.259 -7.190 -23.125 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.382 -9.090 -22.742 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.469 -9.996 -23.775 1.00 0.00 H new ATOM 1593 N MET A 105 -1.861 -9.938 -20.380 1.00 0.00 N ATOM 1594 CA MET A 105 -1.335 -11.228 -19.948 1.00 0.00 C ATOM 1595 C MET A 105 -2.072 -11.729 -18.710 1.00 0.00 C ATOM 1596 O MET A 105 -2.452 -12.898 -18.632 1.00 0.00 O ATOM 1597 CB MET A 105 0.163 -11.121 -19.655 1.00 0.00 C ATOM 1598 CG MET A 105 0.733 -12.340 -18.949 1.00 0.00 C ATOM 1599 SD MET A 105 2.507 -12.526 -19.208 1.00 0.00 S ATOM 1600 CE MET A 105 3.064 -10.841 -18.967 1.00 0.00 C ATOM 0 H MET A 105 -1.251 -9.145 -20.181 1.00 0.00 H new ATOM 0 HA MET A 105 -1.490 -11.943 -20.756 1.00 0.00 H new ATOM 0 HB2 MET A 105 0.698 -10.971 -20.593 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.343 -10.239 -19.041 1.00 0.00 H new ATOM 0 HG2 MET A 105 0.532 -12.263 -17.880 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.222 -13.234 -19.306 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.147 -10.797 -19.078 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.597 -10.194 -19.709 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.787 -10.506 -17.967 1.00 0.00 H new ATOM 1610 N VAL A 106 -2.271 -10.838 -17.744 1.00 0.00 N ATOM 1611 CA VAL A 106 -2.964 -11.189 -16.510 1.00 0.00 C ATOM 1612 C VAL A 106 -4.474 -11.218 -16.717 1.00 0.00 C ATOM 1613 O VAL A 106 -5.173 -12.050 -16.139 1.00 0.00 O ATOM 1614 CB VAL A 106 -2.630 -10.200 -15.378 1.00 0.00 C ATOM 1615 CG1 VAL A 106 -3.289 -10.635 -14.078 1.00 0.00 C ATOM 1616 CG2 VAL A 106 -1.124 -10.076 -15.206 1.00 0.00 C ATOM 0 H VAL A 106 -1.962 -9.867 -17.792 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.620 -12.184 -16.226 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.024 -9.220 -15.647 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.042 -9.924 -13.289 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.370 -10.668 -14.211 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.928 -11.625 -13.800 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.906 -9.373 -14.402 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.704 -11.051 -14.959 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.680 -9.715 -16.134 1.00 0.00 H new ATOM 1626 N GLN A 107 -4.970 -10.305 -17.545 1.00 0.00 N ATOM 1627 CA GLN A 107 -6.398 -10.225 -17.827 1.00 0.00 C ATOM 1628 C GLN A 107 -6.766 -11.100 -19.021 1.00 0.00 C ATOM 1629 O GLN A 107 -7.920 -11.130 -19.450 1.00 0.00 O ATOM 1630 CB GLN A 107 -6.807 -8.776 -18.097 1.00 0.00 C ATOM 1631 CG GLN A 107 -6.328 -7.801 -17.034 1.00 0.00 C ATOM 1632 CD GLN A 107 -6.357 -8.397 -15.640 1.00 0.00 C ATOM 1633 OE1 GLN A 107 -5.354 -8.383 -14.925 1.00 0.00 O ATOM 1634 NE2 GLN A 107 -7.509 -8.925 -15.245 1.00 0.00 N ATOM 0 H GLN A 107 -4.404 -9.610 -18.032 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.936 -10.589 -16.952 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -6.410 -8.469 -19.065 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -7.893 -8.721 -18.166 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.312 -7.484 -17.268 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.953 -6.909 -17.057 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.315 -8.915 -15.870 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -7.588 -9.340 -14.317 1.00 0.00 H new ATOM 1643 N SER A 108 -5.778 -11.812 -19.554 1.00 0.00 N ATOM 1644 CA SER A 108 -5.997 -12.685 -20.701 1.00 0.00 C ATOM 1645 C SER A 108 -7.184 -13.612 -20.460 1.00 0.00 C ATOM 1646 O SER A 108 -7.668 -14.270 -21.380 1.00 0.00 O ATOM 1647 CB SER A 108 -4.741 -13.510 -20.989 1.00 0.00 C ATOM 1648 OG SER A 108 -4.901 -14.850 -20.557 1.00 0.00 O ATOM 0 H SER A 108 -4.818 -11.801 -19.210 1.00 0.00 H new ATOM 0 HA SER A 108 -6.217 -12.059 -21.565 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.528 -13.492 -22.058 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.884 -13.062 -20.485 1.00 0.00 H new ATOM 0 HG SER A 108 -4.086 -15.357 -20.754 1.00 0.00 H new TER 1654 SER A 108