USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1062 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: B 39 MET CE :methyl -172:sc= -8.45! (180deg=-8.72!) USER MOD Set 1.2: B 59 MET CE :methyl -133:sc= -19.8! (180deg=-22.4!) USER MOD Set 2.1: B 29 THR OG1 : rot 180:sc= 0.0617 USER MOD Set 2.2: B 70 GLN :FLIP amide:sc= -1.56! C(o=-3.4!,f=-1.5!) USER MOD Set 3.1: A 39 MET CE :methyl -174:sc= -8.21! (180deg=-8.63!) USER MOD Set 3.2: A 59 MET CE :methyl -135:sc= -20.2! (180deg=-22.7!) USER MOD Set 4.1: A 29 THR OG1 : rot 180:sc= 0.06 USER MOD Set 4.2: A 70 GLN :FLIP amide:sc= -1.72! C(o=-3.2!,f=-1.7!) USER MOD Single : A 4 THR OG1 : rot -167:sc= 0.345 USER MOD Single : A 6 THR OG1 : rot -130:sc= -1.02 USER MOD Single : A 9 CYS SG : rot -46:sc= -3.12 USER MOD Single : A 12 SER OG : rot 80:sc= 1.13 USER MOD Single : A 18 GLN :FLIP amide:sc= -3.21! C(o=-4.4!,f=-3.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 0:sc= -0.136 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.00135 X(o=0.0014,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -64:sc= 1.15 USER MOD Single : A 60 MET CE :methyl -155:sc= -10.3! (180deg=-14.1!) USER MOD Single : A 74 GLN :FLIP amide:sc= -4.47! F(o=-5.4,f=-4.5!) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.143 F(o=-1.1,f=-0.14) USER MOD Single : A 87 CYS SG : rot -159:sc= -1.57 USER MOD Single : A 88 HIS : no HE2:sc= -2.23 X(o=-2.2,f=-1.9) USER MOD Single : A 90 SER OG : rot -109:sc= -2.01 USER MOD Single : B 4 THR OG1 : rot -168:sc= 0.366 USER MOD Single : B 6 THR OG1 : rot -130:sc= -1.02 USER MOD Single : B 9 CYS SG : rot -46:sc= -3.04 USER MOD Single : B 12 SER OG : rot 86:sc= 1.1 USER MOD Single : B 18 GLN :FLIP amide:sc= -3.05! C(o=-4.5!,f=-3!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 TYR OH : rot 0:sc= -0.154 USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0.00169 USER MOD Single : B 40 ASN : amide:sc= 0.00061 X(o=0.00061,f=0) USER MOD Single : B 41 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot -60:sc= 1.19 USER MOD Single : B 60 MET CE :methyl -146:sc= -10.4! (180deg=-14!) USER MOD Single : B 74 GLN :FLIP amide:sc= -4.53! F(o=-5.6,f=-4.5!) USER MOD Single : B 78 ASN :FLIP amide:sc= -0.139 F(o=-1.1,f=-0.14) USER MOD Single : B 87 CYS SG : rot -159:sc= -1.66 USER MOD Single : B 88 HIS : no HE2:sc= -2.21 X(o=-2.2,f=-1.9) USER MOD Single : B 90 SER OG : rot -109:sc= -2.02 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 7.851 -5.448 14.736 1.00 0.00 N ATOM 52 CA THR A 4 8.376 -4.117 14.447 1.00 0.00 C ATOM 53 C THR A 4 7.268 -3.176 14.004 1.00 0.00 C ATOM 54 O THR A 4 6.252 -3.598 13.449 1.00 0.00 O ATOM 55 CB THR A 4 9.474 -4.194 13.379 1.00 0.00 C ATOM 56 OG1 THR A 4 9.683 -2.927 12.779 1.00 0.00 O ATOM 57 CG2 THR A 4 9.175 -5.184 12.271 1.00 0.00 C ATOM 0 HA THR A 4 8.809 -3.719 15.365 1.00 0.00 H new ATOM 0 HB THR A 4 10.363 -4.532 13.911 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.233 -3.033 11.975 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.995 -5.184 11.553 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.064 -6.182 12.695 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.251 -4.899 11.767 1.00 0.00 H new ATOM 65 N GLU A 5 7.478 -1.896 14.268 1.00 0.00 N ATOM 66 CA GLU A 5 6.519 -0.858 13.924 1.00 0.00 C ATOM 67 C GLU A 5 5.975 -1.041 12.508 1.00 0.00 C ATOM 68 O GLU A 5 4.763 -1.026 12.294 1.00 0.00 O ATOM 69 CB GLU A 5 7.197 0.497 14.064 1.00 0.00 C ATOM 70 CG GLU A 5 6.325 1.556 14.718 1.00 0.00 C ATOM 71 CD GLU A 5 6.073 1.277 16.187 1.00 0.00 C ATOM 72 OE1 GLU A 5 5.251 0.386 16.489 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.697 1.949 17.034 1.00 0.00 O ATOM 0 H GLU A 5 8.319 -1.547 14.727 1.00 0.00 H new ATOM 0 HA GLU A 5 5.669 -0.923 14.603 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.108 0.378 14.650 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.497 0.846 13.076 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.803 2.530 14.614 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.371 1.611 14.193 1.00 0.00 H new ATOM 80 N THR A 6 6.873 -1.233 11.548 1.00 0.00 N ATOM 81 CA THR A 6 6.470 -1.441 10.163 1.00 0.00 C ATOM 82 C THR A 6 5.642 -2.713 10.050 1.00 0.00 C ATOM 83 O THR A 6 4.655 -2.765 9.322 1.00 0.00 O ATOM 84 CB THR A 6 7.698 -1.534 9.257 1.00 0.00 C ATOM 85 OG1 THR A 6 8.768 -0.766 9.780 1.00 0.00 O ATOM 86 CG2 THR A 6 7.435 -1.056 7.847 1.00 0.00 C ATOM 0 H THR A 6 7.881 -1.249 11.703 1.00 0.00 H new ATOM 0 HA THR A 6 5.866 -0.591 9.844 1.00 0.00 H new ATOM 0 HB THR A 6 7.954 -2.593 9.224 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.130 -0.188 9.077 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.346 -1.148 7.256 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.648 -1.662 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.121 -0.012 7.869 1.00 0.00 H new ATOM 94 N GLU A 7 6.042 -3.736 10.794 1.00 0.00 N ATOM 95 CA GLU A 7 5.332 -5.010 10.784 1.00 0.00 C ATOM 96 C GLU A 7 3.843 -4.788 11.033 1.00 0.00 C ATOM 97 O GLU A 7 3.001 -5.536 10.537 1.00 0.00 O ATOM 98 CB GLU A 7 5.910 -5.946 11.849 1.00 0.00 C ATOM 99 CG GLU A 7 6.418 -7.265 11.288 1.00 0.00 C ATOM 100 CD GLU A 7 5.702 -8.465 11.876 1.00 0.00 C ATOM 101 OE1 GLU A 7 4.476 -8.375 12.097 1.00 0.00 O ATOM 102 OE2 GLU A 7 6.368 -9.494 12.117 1.00 0.00 O ATOM 0 H GLU A 7 6.853 -3.709 11.412 1.00 0.00 H new ATOM 0 HA GLU A 7 5.458 -5.471 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.728 -5.439 12.361 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.143 -6.150 12.597 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.293 -7.267 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.486 -7.352 11.485 1.00 0.00 H new ATOM 109 N ARG A 8 3.531 -3.742 11.790 1.00 0.00 N ATOM 110 CA ARG A 8 2.147 -3.402 12.093 1.00 0.00 C ATOM 111 C ARG A 8 1.501 -2.664 10.921 1.00 0.00 C ATOM 112 O ARG A 8 0.288 -2.725 10.733 1.00 0.00 O ATOM 113 CB ARG A 8 2.075 -2.545 13.360 1.00 0.00 C ATOM 114 CG ARG A 8 1.402 -3.245 14.530 1.00 0.00 C ATOM 115 CD ARG A 8 0.600 -2.271 15.379 1.00 0.00 C ATOM 116 NE ARG A 8 1.226 -2.035 16.679 1.00 0.00 N ATOM 117 CZ ARG A 8 0.923 -1.009 17.471 1.00 0.00 C ATOM 118 NH1 ARG A 8 0.006 -0.124 17.102 1.00 0.00 N ATOM 119 NH2 ARG A 8 1.539 -0.870 18.637 1.00 0.00 N ATOM 0 H ARG A 8 4.219 -3.114 12.205 1.00 0.00 H new ATOM 0 HA ARG A 8 1.597 -4.328 12.262 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.085 -2.257 13.652 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.533 -1.626 13.137 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.744 -4.029 14.156 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.158 -3.730 15.148 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.499 -1.325 14.848 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.407 -2.662 15.527 1.00 0.00 H new ATOM 0 HE ARG A 8 1.936 -2.695 16.997 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.472 -0.228 16.207 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.221 0.660 17.714 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.244 -1.549 18.926 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.308 -0.084 19.245 1.00 0.00 H new ATOM 132 N CYS A 9 2.321 -1.959 10.139 1.00 0.00 N ATOM 133 CA CYS A 9 1.820 -1.205 8.993 1.00 0.00 C ATOM 134 C CYS A 9 1.475 -2.131 7.829 1.00 0.00 C ATOM 135 O CYS A 9 0.453 -1.954 7.166 1.00 0.00 O ATOM 136 CB CYS A 9 2.843 -0.142 8.555 1.00 0.00 C ATOM 137 SG CYS A 9 4.190 -0.745 7.505 1.00 0.00 S ATOM 0 H CYS A 9 3.329 -1.896 10.279 1.00 0.00 H new ATOM 0 HA CYS A 9 0.905 -0.699 9.300 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.315 0.648 8.021 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.276 0.311 9.447 1.00 0.00 H new ATOM 0 HG CYS A 9 4.676 -1.840 8.009 1.00 0.00 H new ATOM 143 N ILE A 10 2.329 -3.118 7.586 1.00 0.00 N ATOM 144 CA ILE A 10 2.111 -4.066 6.504 1.00 0.00 C ATOM 145 C ILE A 10 0.912 -4.961 6.786 1.00 0.00 C ATOM 146 O ILE A 10 0.006 -5.078 5.965 1.00 0.00 O ATOM 147 CB ILE A 10 3.343 -4.964 6.287 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.622 -4.130 6.241 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.192 -5.770 5.009 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.526 -4.347 7.427 1.00 0.00 C ATOM 0 H ILE A 10 3.179 -3.282 8.125 1.00 0.00 H new ATOM 0 HA ILE A 10 1.926 -3.475 5.607 1.00 0.00 H new ATOM 0 HB ILE A 10 3.415 -5.653 7.129 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.169 -4.369 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.356 -3.074 6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.071 -6.400 4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.303 -6.397 5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.093 -5.092 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.414 -3.723 7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.996 -4.080 8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.822 -5.395 7.472 1.00 0.00 H new ATOM 162 N GLU A 11 0.926 -5.606 7.945 1.00 0.00 N ATOM 163 CA GLU A 11 -0.144 -6.519 8.332 1.00 0.00 C ATOM 164 C GLU A 11 -1.522 -5.875 8.206 1.00 0.00 C ATOM 165 O GLU A 11 -2.519 -6.570 8.014 1.00 0.00 O ATOM 166 CB GLU A 11 0.075 -7.007 9.767 1.00 0.00 C ATOM 167 CG GLU A 11 0.225 -8.515 9.876 1.00 0.00 C ATOM 168 CD GLU A 11 -0.371 -9.071 11.153 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.615 -9.094 11.268 1.00 0.00 O ATOM 170 OE2 GLU A 11 0.406 -9.483 12.041 1.00 0.00 O ATOM 0 H GLU A 11 1.670 -5.514 8.637 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.113 -7.366 7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.967 -6.530 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.765 -6.687 10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.257 -8.987 9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.283 -8.775 9.830 1.00 0.00 H new ATOM 177 N SER A 12 -1.582 -4.557 8.332 1.00 0.00 N ATOM 178 CA SER A 12 -2.856 -3.854 8.247 1.00 0.00 C ATOM 179 C SER A 12 -3.384 -3.787 6.810 1.00 0.00 C ATOM 180 O SER A 12 -4.504 -4.213 6.544 1.00 0.00 O ATOM 181 CB SER A 12 -2.718 -2.445 8.821 1.00 0.00 C ATOM 182 OG SER A 12 -2.069 -2.469 10.080 1.00 0.00 O ATOM 0 H SER A 12 -0.773 -3.957 8.492 1.00 0.00 H new ATOM 0 HA SER A 12 -3.580 -4.419 8.835 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.153 -1.821 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.704 -1.993 8.925 1.00 0.00 H new ATOM 0 HG SER A 12 -1.101 -2.544 9.948 1.00 0.00 H new ATOM 188 N LEU A 13 -2.587 -3.245 5.889 1.00 0.00 N ATOM 189 CA LEU A 13 -3.004 -3.118 4.496 1.00 0.00 C ATOM 190 C LEU A 13 -3.239 -4.476 3.831 1.00 0.00 C ATOM 191 O LEU A 13 -4.053 -4.600 2.916 1.00 0.00 O ATOM 192 CB LEU A 13 -1.961 -2.324 3.723 1.00 0.00 C ATOM 193 CG LEU A 13 -2.228 -0.823 3.659 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.596 -0.549 3.067 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.126 -0.186 5.030 1.00 0.00 C ATOM 0 H LEU A 13 -1.651 -2.888 6.084 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.957 -2.590 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.985 -2.487 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.906 -2.714 2.707 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.466 -0.381 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.768 0.527 3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.645 -0.959 2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.361 -1.017 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.322 0.883 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.859 -0.640 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.124 -0.343 5.430 1.00 0.00 H new ATOM 207 N ILE A 14 -2.536 -5.496 4.287 1.00 0.00 N ATOM 208 CA ILE A 14 -2.698 -6.819 3.732 1.00 0.00 C ATOM 209 C ILE A 14 -4.043 -7.387 4.085 1.00 0.00 C ATOM 210 O ILE A 14 -4.655 -8.113 3.313 1.00 0.00 O ATOM 211 CB ILE A 14 -1.693 -7.796 4.328 1.00 0.00 C ATOM 212 CG1 ILE A 14 -0.284 -7.260 4.237 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.816 -9.143 3.661 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.598 -7.830 5.313 1.00 0.00 C ATOM 0 H ILE A 14 -1.850 -5.430 5.039 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.567 -6.709 2.656 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.920 -7.918 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.134 -7.499 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.302 -6.173 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.092 -9.832 4.096 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.823 -9.532 3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.622 -9.039 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.603 -7.421 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.194 -7.568 6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.637 -8.915 5.215 1.00 0.00 H new ATOM 226 N ALA A 15 -4.442 -7.102 5.301 1.00 0.00 N ATOM 227 CA ALA A 15 -5.657 -7.633 5.850 1.00 0.00 C ATOM 228 C ALA A 15 -6.889 -6.907 5.357 1.00 0.00 C ATOM 229 O ALA A 15 -7.946 -7.517 5.188 1.00 0.00 O ATOM 230 CB ALA A 15 -5.536 -7.626 7.351 1.00 0.00 C ATOM 0 H ALA A 15 -3.928 -6.492 5.937 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.792 -8.658 5.504 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.449 -8.026 7.792 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.688 -8.242 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.383 -6.604 7.699 1.00 0.00 H new ATOM 236 N VAL A 16 -6.754 -5.622 5.078 1.00 0.00 N ATOM 237 CA VAL A 16 -7.862 -4.863 4.554 1.00 0.00 C ATOM 238 C VAL A 16 -8.389 -5.563 3.314 1.00 0.00 C ATOM 239 O VAL A 16 -9.595 -5.637 3.079 1.00 0.00 O ATOM 240 CB VAL A 16 -7.419 -3.442 4.161 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.819 -2.713 5.341 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.410 -3.502 3.035 1.00 0.00 C ATOM 0 H VAL A 16 -5.893 -5.091 5.206 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.632 -4.793 5.323 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.302 -2.896 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.515 -1.712 5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.559 -2.639 6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.949 -3.261 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.104 -2.491 2.766 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.538 -4.071 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.860 -3.988 2.169 1.00 0.00 H new ATOM 252 N PHE A 17 -7.448 -6.054 2.509 1.00 0.00 N ATOM 253 CA PHE A 17 -7.787 -6.731 1.264 1.00 0.00 C ATOM 254 C PHE A 17 -8.186 -8.203 1.428 1.00 0.00 C ATOM 255 O PHE A 17 -9.251 -8.601 0.957 1.00 0.00 O ATOM 256 CB PHE A 17 -6.653 -6.585 0.242 1.00 0.00 C ATOM 257 CG PHE A 17 -5.585 -7.645 0.300 1.00 0.00 C ATOM 258 CD1 PHE A 17 -5.829 -8.927 -0.169 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.329 -7.352 0.806 1.00 0.00 C ATOM 260 CE1 PHE A 17 -4.844 -9.895 -0.131 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.340 -8.318 0.848 1.00 0.00 C ATOM 262 CZ PHE A 17 -3.599 -9.591 0.379 1.00 0.00 C ATOM 0 H PHE A 17 -6.448 -5.995 2.698 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.681 -6.229 0.894 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.087 -6.586 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.182 -5.612 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.802 -9.172 -0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.120 -6.358 1.172 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.049 -10.889 -0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.366 -8.077 1.247 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.828 -10.347 0.412 1.00 0.00 H new ATOM 272 N GLN A 18 -7.331 -9.025 2.046 1.00 0.00 N ATOM 273 CA GLN A 18 -7.636 -10.451 2.177 1.00 0.00 C ATOM 274 C GLN A 18 -8.879 -10.684 3.007 1.00 0.00 C ATOM 275 O GLN A 18 -9.556 -11.700 2.845 1.00 0.00 O ATOM 276 CB GLN A 18 -6.453 -11.244 2.739 1.00 0.00 C ATOM 277 CG GLN A 18 -5.640 -10.492 3.765 1.00 0.00 C ATOM 278 CD GLN A 18 -5.896 -10.970 5.163 1.00 0.00 C ATOM 279 OE1 GLN A 18 -6.884 -10.364 5.790 1.00 0.00 O flip ATOM 280 NE2 GLN A 18 -5.220 -11.864 5.673 1.00 0.00 N flip ATOM 0 H GLN A 18 -6.442 -8.735 2.454 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.830 -10.819 1.170 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.827 -12.163 3.190 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.800 -11.535 1.916 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.580 -10.602 3.535 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.872 -9.429 3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.466 -12.299 5.142 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.414 -12.169 6.627 1.00 0.00 H new ATOM 289 N LYS A 19 -9.206 -9.738 3.878 1.00 0.00 N ATOM 290 CA LYS A 19 -10.402 -9.868 4.690 1.00 0.00 C ATOM 291 C LYS A 19 -11.587 -10.129 3.766 1.00 0.00 C ATOM 292 O LYS A 19 -12.320 -11.104 3.931 1.00 0.00 O ATOM 293 CB LYS A 19 -10.623 -8.590 5.507 1.00 0.00 C ATOM 294 CG LYS A 19 -11.947 -8.549 6.254 1.00 0.00 C ATOM 295 CD LYS A 19 -11.792 -9.028 7.687 1.00 0.00 C ATOM 296 CE LYS A 19 -11.563 -7.866 8.639 1.00 0.00 C ATOM 297 NZ LYS A 19 -10.565 -8.199 9.693 1.00 0.00 N ATOM 0 H LYS A 19 -8.668 -8.886 4.037 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.295 -10.698 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.810 -8.486 6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.569 -7.731 4.838 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.337 -7.531 6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.677 -9.172 5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.685 -9.576 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.955 -9.723 7.751 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.220 -6.998 8.076 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.507 -7.589 9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.438 -7.380 10.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.903 -9.011 10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.656 -8.438 9.247 1.00 0.00 H new ATOM 311 N TYR A 20 -11.722 -9.276 2.757 1.00 0.00 N ATOM 312 CA TYR A 20 -12.760 -9.427 1.753 1.00 0.00 C ATOM 313 C TYR A 20 -12.324 -10.450 0.708 1.00 0.00 C ATOM 314 O TYR A 20 -13.145 -11.118 0.080 1.00 0.00 O ATOM 315 CB TYR A 20 -13.079 -8.080 1.105 1.00 0.00 C ATOM 316 CG TYR A 20 -14.196 -7.337 1.802 1.00 0.00 C ATOM 317 CD1 TYR A 20 -13.961 -6.627 2.972 1.00 0.00 C ATOM 318 CD2 TYR A 20 -15.489 -7.354 1.293 1.00 0.00 C ATOM 319 CE1 TYR A 20 -14.984 -5.954 3.616 1.00 0.00 C ATOM 320 CE2 TYR A 20 -16.515 -6.683 1.930 1.00 0.00 C ATOM 321 CZ TYR A 20 -16.257 -5.985 3.091 1.00 0.00 C ATOM 322 OH TYR A 20 -17.277 -5.316 3.728 1.00 0.00 O ATOM 0 H TYR A 20 -11.118 -8.467 2.615 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.670 -9.789 2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.182 -7.461 1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.353 -8.241 0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -12.964 -6.600 3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -15.695 -7.901 0.385 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.785 -5.407 4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -17.514 -6.705 1.521 1.00 0.00 H new ATOM 0 HH TYR A 20 -16.928 -4.876 4.531 1.00 0.00 H new ATOM 332 N ALA A 21 -11.005 -10.535 0.524 1.00 0.00 N ATOM 333 CA ALA A 21 -10.396 -11.436 -0.448 1.00 0.00 C ATOM 334 C ALA A 21 -10.176 -12.836 0.124 1.00 0.00 C ATOM 335 O ALA A 21 -9.362 -13.601 -0.393 1.00 0.00 O ATOM 336 CB ALA A 21 -9.075 -10.837 -0.916 1.00 0.00 C ATOM 0 H ALA A 21 -10.330 -9.978 1.048 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.078 -11.545 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.611 -11.503 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.259 -9.867 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.409 -10.712 -0.062 1.00 0.00 H new ATOM 342 N GLY A 22 -10.900 -13.171 1.190 1.00 0.00 N ATOM 343 CA GLY A 22 -10.758 -14.481 1.798 1.00 0.00 C ATOM 344 C GLY A 22 -11.069 -15.607 0.830 1.00 0.00 C ATOM 345 O GLY A 22 -11.016 -15.422 -0.386 1.00 0.00 O ATOM 0 H GLY A 22 -11.580 -12.559 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.740 -14.597 2.170 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.422 -14.552 2.659 1.00 0.00 H new ATOM 419 N VAL A 28 -5.468 -16.179 -5.344 1.00 0.00 N ATOM 420 CA VAL A 28 -5.211 -15.039 -4.474 1.00 0.00 C ATOM 421 C VAL A 28 -5.761 -13.752 -5.086 1.00 0.00 C ATOM 422 O VAL A 28 -5.024 -12.976 -5.695 1.00 0.00 O ATOM 423 CB VAL A 28 -3.701 -14.874 -4.202 1.00 0.00 C ATOM 424 CG1 VAL A 28 -2.936 -14.690 -5.504 1.00 0.00 C ATOM 425 CG2 VAL A 28 -3.449 -13.710 -3.253 1.00 0.00 C ATOM 0 HA VAL A 28 -5.719 -15.231 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.338 -15.784 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.874 -14.576 -5.289 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.085 -15.562 -6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.300 -13.800 -6.017 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.378 -13.611 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.829 -12.790 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.959 -13.895 -2.307 1.00 0.00 H new ATOM 435 N THR A 29 -7.061 -13.535 -4.920 1.00 0.00 N ATOM 436 CA THR A 29 -7.712 -12.347 -5.456 1.00 0.00 C ATOM 437 C THR A 29 -8.957 -11.995 -4.656 1.00 0.00 C ATOM 438 O THR A 29 -9.512 -12.829 -3.940 1.00 0.00 O ATOM 439 CB THR A 29 -8.090 -12.563 -6.917 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.665 -13.843 -7.107 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.912 -12.440 -7.852 1.00 0.00 C ATOM 0 H THR A 29 -7.685 -14.167 -4.418 1.00 0.00 H new ATOM 0 HA THR A 29 -7.006 -11.520 -5.382 1.00 0.00 H new ATOM 0 HB THR A 29 -8.808 -11.778 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.901 -13.959 -8.051 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.243 -12.604 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.481 -11.443 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.160 -13.185 -7.590 1.00 0.00 H new ATOM 449 N LEU A 30 -9.394 -10.751 -4.796 1.00 0.00 N ATOM 450 CA LEU A 30 -10.582 -10.271 -4.103 1.00 0.00 C ATOM 451 C LEU A 30 -11.680 -9.928 -5.119 1.00 0.00 C ATOM 452 O LEU A 30 -12.152 -10.804 -5.837 1.00 0.00 O ATOM 453 CB LEU A 30 -10.228 -9.056 -3.230 1.00 0.00 C ATOM 454 CG LEU A 30 -11.219 -8.724 -2.102 1.00 0.00 C ATOM 455 CD1 LEU A 30 -11.460 -7.225 -2.033 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.538 -9.466 -2.283 1.00 0.00 C ATOM 0 H LEU A 30 -8.941 -10.053 -5.386 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.961 -11.056 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.247 -9.226 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.138 -8.183 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.777 -9.054 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.164 -7.006 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.517 -6.713 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.872 -6.879 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.215 -9.208 -1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.989 -9.181 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.355 -10.540 -2.276 1.00 0.00 H new ATOM 468 N SER A 31 -12.076 -8.657 -5.186 1.00 0.00 N ATOM 469 CA SER A 31 -13.099 -8.217 -6.123 1.00 0.00 C ATOM 470 C SER A 31 -13.339 -6.722 -5.968 1.00 0.00 C ATOM 471 O SER A 31 -13.523 -6.226 -4.856 1.00 0.00 O ATOM 472 CB SER A 31 -14.405 -8.986 -5.912 1.00 0.00 C ATOM 473 OG SER A 31 -15.347 -8.677 -6.924 1.00 0.00 O ATOM 0 H SER A 31 -11.699 -7.914 -4.598 1.00 0.00 H new ATOM 0 HA SER A 31 -12.746 -8.420 -7.134 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.204 -10.057 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.822 -8.740 -4.935 1.00 0.00 H new ATOM 0 HG SER A 31 -16.172 -9.182 -6.768 1.00 0.00 H new ATOM 479 N LYS A 32 -13.320 -6.004 -7.085 1.00 0.00 N ATOM 480 CA LYS A 32 -13.521 -4.560 -7.069 1.00 0.00 C ATOM 481 C LYS A 32 -14.763 -4.191 -6.259 1.00 0.00 C ATOM 482 O LYS A 32 -14.787 -3.173 -5.569 1.00 0.00 O ATOM 483 CB LYS A 32 -13.650 -4.037 -8.502 1.00 0.00 C ATOM 484 CG LYS A 32 -13.930 -2.546 -8.590 1.00 0.00 C ATOM 485 CD LYS A 32 -14.122 -2.102 -10.032 1.00 0.00 C ATOM 486 CE LYS A 32 -15.400 -2.670 -10.628 1.00 0.00 C ATOM 487 NZ LYS A 32 -15.182 -3.204 -12.001 1.00 0.00 N ATOM 0 H LYS A 32 -13.167 -6.398 -8.013 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.656 -4.096 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.729 -4.256 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.452 -4.578 -9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -14.823 -2.307 -8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.104 -1.992 -8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.152 -1.013 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.268 -2.423 -10.629 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -15.779 -3.465 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -16.164 -1.893 -10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.077 -3.582 -12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.845 -2.440 -12.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.472 -3.963 -11.970 1.00 0.00 H new ATOM 501 N THR A 33 -15.792 -5.030 -6.350 1.00 0.00 N ATOM 502 CA THR A 33 -17.034 -4.803 -5.629 1.00 0.00 C ATOM 503 C THR A 33 -16.860 -5.102 -4.141 1.00 0.00 C ATOM 504 O THR A 33 -17.297 -4.332 -3.292 1.00 0.00 O ATOM 505 CB THR A 33 -18.149 -5.664 -6.234 1.00 0.00 C ATOM 506 OG1 THR A 33 -18.834 -4.952 -7.249 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.183 -6.130 -5.230 1.00 0.00 C ATOM 0 H THR A 33 -15.786 -5.876 -6.920 1.00 0.00 H new ATOM 0 HA THR A 33 -17.311 -3.753 -5.725 1.00 0.00 H new ATOM 0 HB THR A 33 -17.639 -6.542 -6.630 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.541 -5.517 -7.625 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.937 -6.733 -5.737 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.698 -6.729 -4.459 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.660 -5.264 -4.770 1.00 0.00 H new ATOM 515 N GLU A 34 -16.218 -6.220 -3.819 1.00 0.00 N ATOM 516 CA GLU A 34 -16.003 -6.582 -2.423 1.00 0.00 C ATOM 517 C GLU A 34 -15.278 -5.459 -1.692 1.00 0.00 C ATOM 518 O GLU A 34 -15.458 -5.266 -0.489 1.00 0.00 O ATOM 519 CB GLU A 34 -15.217 -7.885 -2.310 1.00 0.00 C ATOM 520 CG GLU A 34 -16.102 -9.090 -2.048 1.00 0.00 C ATOM 521 CD GLU A 34 -15.375 -10.406 -2.245 1.00 0.00 C ATOM 522 OE1 GLU A 34 -14.805 -10.612 -3.338 1.00 0.00 O ATOM 523 OE2 GLU A 34 -15.375 -11.231 -1.307 1.00 0.00 O ATOM 0 H GLU A 34 -15.842 -6.884 -4.496 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.977 -6.734 -1.957 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -14.657 -8.046 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.488 -7.795 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.484 -9.040 -1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.965 -9.053 -2.713 1.00 0.00 H new ATOM 530 N PHE A 35 -14.471 -4.707 -2.435 1.00 0.00 N ATOM 531 CA PHE A 35 -13.739 -3.587 -1.864 1.00 0.00 C ATOM 532 C PHE A 35 -14.701 -2.450 -1.538 1.00 0.00 C ATOM 533 O PHE A 35 -14.451 -1.647 -0.639 1.00 0.00 O ATOM 534 CB PHE A 35 -12.660 -3.104 -2.835 1.00 0.00 C ATOM 535 CG PHE A 35 -11.384 -2.695 -2.155 1.00 0.00 C ATOM 536 CD1 PHE A 35 -10.541 -3.649 -1.607 1.00 0.00 C ATOM 537 CD2 PHE A 35 -11.028 -1.359 -2.065 1.00 0.00 C ATOM 538 CE1 PHE A 35 -9.367 -3.277 -0.980 1.00 0.00 C ATOM 539 CE2 PHE A 35 -9.855 -0.981 -1.439 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.024 -1.942 -0.896 1.00 0.00 C ATOM 0 H PHE A 35 -14.309 -4.854 -3.431 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.254 -3.916 -0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.444 -3.898 -3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.046 -2.259 -3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -10.804 -4.694 -1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.674 -0.605 -2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.719 -4.029 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.589 0.064 -1.374 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.107 -1.649 -0.406 1.00 0.00 H new ATOM 550 N LEU A 36 -15.812 -2.395 -2.274 1.00 0.00 N ATOM 551 CA LEU A 36 -16.825 -1.370 -2.065 1.00 0.00 C ATOM 552 C LEU A 36 -17.297 -1.366 -0.633 1.00 0.00 C ATOM 553 O LEU A 36 -17.216 -0.360 0.071 1.00 0.00 O ATOM 554 CB LEU A 36 -18.036 -1.639 -2.952 1.00 0.00 C ATOM 555 CG LEU A 36 -18.068 -0.851 -4.239 1.00 0.00 C ATOM 556 CD1 LEU A 36 -18.192 0.630 -3.927 1.00 0.00 C ATOM 557 CD2 LEU A 36 -16.823 -1.146 -5.058 1.00 0.00 C ATOM 0 H LEU A 36 -16.030 -3.053 -3.022 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.374 -0.409 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.063 -2.702 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.940 -1.418 -2.385 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.934 -1.147 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.215 1.197 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -19.112 0.809 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.338 0.949 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.853 -0.574 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.937 -0.866 -4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.784 -2.210 -5.290 1.00 0.00 H new ATOM 569 N SER A 37 -17.815 -2.507 -0.223 1.00 0.00 N ATOM 570 CA SER A 37 -18.338 -2.659 1.119 1.00 0.00 C ATOM 571 C SER A 37 -17.281 -2.296 2.157 1.00 0.00 C ATOM 572 O SER A 37 -17.562 -1.580 3.118 1.00 0.00 O ATOM 573 CB SER A 37 -18.834 -4.088 1.344 1.00 0.00 C ATOM 574 OG SER A 37 -19.633 -4.527 0.259 1.00 0.00 O ATOM 0 H SER A 37 -17.885 -3.344 -0.802 1.00 0.00 H new ATOM 0 HA SER A 37 -19.180 -1.976 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.982 -4.757 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.411 -4.135 2.267 1.00 0.00 H new ATOM 0 HG SER A 37 -19.936 -5.444 0.426 1.00 0.00 H new ATOM 580 N PHE A 38 -16.061 -2.786 1.950 1.00 0.00 N ATOM 581 CA PHE A 38 -14.959 -2.501 2.863 1.00 0.00 C ATOM 582 C PHE A 38 -14.738 -0.997 2.978 1.00 0.00 C ATOM 583 O PHE A 38 -14.254 -0.503 3.995 1.00 0.00 O ATOM 584 CB PHE A 38 -13.674 -3.177 2.382 1.00 0.00 C ATOM 585 CG PHE A 38 -12.523 -3.011 3.332 1.00 0.00 C ATOM 586 CD1 PHE A 38 -11.715 -1.886 3.272 1.00 0.00 C ATOM 587 CD2 PHE A 38 -12.249 -3.978 4.286 1.00 0.00 C ATOM 588 CE1 PHE A 38 -10.656 -1.730 4.146 1.00 0.00 C ATOM 589 CE2 PHE A 38 -11.191 -3.826 5.164 1.00 0.00 C ATOM 590 CZ PHE A 38 -10.394 -2.700 5.093 1.00 0.00 C ATOM 0 H PHE A 38 -15.812 -3.381 1.160 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.220 -2.897 3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.864 -4.240 2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -13.397 -2.766 1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -11.915 -1.123 2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -12.869 -4.861 4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.033 -0.849 4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -10.988 -4.586 5.904 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.567 -2.579 5.777 1.00 0.00 H new ATOM 600 N MET A 39 -15.102 -0.275 1.923 1.00 0.00 N ATOM 601 CA MET A 39 -14.953 1.173 1.893 1.00 0.00 C ATOM 602 C MET A 39 -16.005 1.841 2.771 1.00 0.00 C ATOM 603 O MET A 39 -15.686 2.481 3.768 1.00 0.00 O ATOM 604 CB MET A 39 -15.073 1.683 0.454 1.00 0.00 C ATOM 605 CG MET A 39 -13.992 2.676 0.064 1.00 0.00 C ATOM 606 SD MET A 39 -12.602 1.894 -0.775 1.00 0.00 S ATOM 607 CE MET A 39 -11.354 1.975 0.504 1.00 0.00 C ATOM 0 H MET A 39 -15.504 -0.673 1.074 1.00 0.00 H new ATOM 0 HA MET A 39 -13.967 1.426 2.282 1.00 0.00 H new ATOM 0 HB2 MET A 39 -15.035 0.833 -0.227 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.048 2.152 0.325 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.422 3.438 -0.586 1.00 0.00 H new ATOM 0 HG3 MET A 39 -13.632 3.185 0.958 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.401 1.627 0.105 1.00 0.00 H new ATOM 0 HE2 MET A 39 -11.250 3.005 0.846 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.649 1.342 1.341 1.00 0.00 H new ATOM 617 N ASN A 40 -17.265 1.688 2.386 1.00 0.00 N ATOM 618 CA ASN A 40 -18.372 2.281 3.126 1.00 0.00 C ATOM 619 C ASN A 40 -18.386 1.838 4.591 1.00 0.00 C ATOM 620 O ASN A 40 -19.016 2.482 5.430 1.00 0.00 O ATOM 621 CB ASN A 40 -19.701 1.913 2.462 1.00 0.00 C ATOM 622 CG ASN A 40 -19.820 2.478 1.058 1.00 0.00 C ATOM 623 OD1 ASN A 40 -20.108 3.661 0.876 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.600 1.633 0.055 1.00 0.00 N ATOM 0 H ASN A 40 -17.547 1.156 1.562 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.236 3.362 3.108 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.797 0.828 2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.524 2.285 3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.668 1.958 -0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.364 0.660 0.250 1.00 0.00 H new ATOM 631 N THR A 41 -17.708 0.734 4.895 1.00 0.00 N ATOM 632 CA THR A 41 -17.676 0.216 6.261 1.00 0.00 C ATOM 633 C THR A 41 -16.411 0.618 7.011 1.00 0.00 C ATOM 634 O THR A 41 -16.405 0.664 8.241 1.00 0.00 O ATOM 635 CB THR A 41 -17.787 -1.310 6.252 1.00 0.00 C ATOM 636 OG1 THR A 41 -18.019 -1.805 7.559 1.00 0.00 O ATOM 637 CG2 THR A 41 -16.558 -2.008 5.711 1.00 0.00 C ATOM 0 H THR A 41 -17.177 0.184 4.220 1.00 0.00 H new ATOM 0 HA THR A 41 -18.528 0.655 6.781 1.00 0.00 H new ATOM 0 HB THR A 41 -18.624 -1.527 5.589 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.088 -2.782 7.531 1.00 0.00 H new ATOM 0 HG21 THR A 41 -16.712 -3.087 5.736 1.00 0.00 H new ATOM 0 HG22 THR A 41 -16.382 -1.690 4.683 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.694 -1.750 6.323 1.00 0.00 H new ATOM 645 N GLU A 42 -15.329 0.863 6.282 1.00 0.00 N ATOM 646 CA GLU A 42 -14.061 1.204 6.923 1.00 0.00 C ATOM 647 C GLU A 42 -13.423 2.460 6.329 1.00 0.00 C ATOM 648 O GLU A 42 -12.894 3.298 7.058 1.00 0.00 O ATOM 649 CB GLU A 42 -13.103 0.014 6.808 1.00 0.00 C ATOM 650 CG GLU A 42 -13.802 -1.343 6.872 1.00 0.00 C ATOM 651 CD GLU A 42 -13.178 -2.273 7.895 1.00 0.00 C ATOM 652 OE1 GLU A 42 -12.142 -2.895 7.579 1.00 0.00 O ATOM 653 OE2 GLU A 42 -13.724 -2.377 9.013 1.00 0.00 O ATOM 0 H GLU A 42 -15.301 0.833 5.263 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.264 1.423 7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.557 0.088 5.868 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.367 0.072 7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.854 -1.194 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.766 -1.813 5.889 1.00 0.00 H new ATOM 660 N LEU A 43 -13.477 2.590 5.009 1.00 0.00 N ATOM 661 CA LEU A 43 -12.905 3.749 4.331 1.00 0.00 C ATOM 662 C LEU A 43 -14.006 4.555 3.657 1.00 0.00 C ATOM 663 O LEU A 43 -13.908 4.914 2.484 1.00 0.00 O ATOM 664 CB LEU A 43 -11.867 3.304 3.298 1.00 0.00 C ATOM 665 CG LEU A 43 -10.450 3.117 3.845 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.509 2.653 2.745 1.00 0.00 C ATOM 667 CD2 LEU A 43 -9.947 4.410 4.470 1.00 0.00 C ATOM 0 H LEU A 43 -13.910 1.908 4.386 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.410 4.378 5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.197 2.364 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.836 4.041 2.495 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.477 2.349 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.506 2.526 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.860 1.703 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.485 3.397 1.949 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.938 4.260 4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.935 5.198 3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.607 4.700 5.288 1.00 0.00 H new ATOM 679 N ALA A 44 -15.064 4.817 4.414 1.00 0.00 N ATOM 680 CA ALA A 44 -16.207 5.560 3.908 1.00 0.00 C ATOM 681 C ALA A 44 -15.982 7.062 4.014 1.00 0.00 C ATOM 682 O ALA A 44 -16.404 7.823 3.146 1.00 0.00 O ATOM 683 CB ALA A 44 -17.460 5.147 4.662 1.00 0.00 C ATOM 0 H ALA A 44 -15.152 4.523 5.387 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.333 5.324 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -18.315 5.705 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.633 4.080 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.332 5.359 5.724 1.00 0.00 H new ATOM 689 N ALA A 45 -15.306 7.484 5.076 1.00 0.00 N ATOM 690 CA ALA A 45 -15.017 8.900 5.282 1.00 0.00 C ATOM 691 C ALA A 45 -14.332 9.501 4.056 1.00 0.00 C ATOM 692 O ALA A 45 -14.374 10.712 3.839 1.00 0.00 O ATOM 693 CB ALA A 45 -14.154 9.086 6.521 1.00 0.00 C ATOM 0 H ALA A 45 -14.948 6.869 5.807 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.961 9.424 5.431 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.946 10.146 6.663 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.681 8.699 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -13.216 8.546 6.395 1.00 0.00 H new ATOM 699 N PHE A 46 -13.702 8.642 3.258 1.00 0.00 N ATOM 700 CA PHE A 46 -13.006 9.075 2.054 1.00 0.00 C ATOM 701 C PHE A 46 -13.952 9.084 0.854 1.00 0.00 C ATOM 702 O PHE A 46 -13.778 9.864 -0.082 1.00 0.00 O ATOM 703 CB PHE A 46 -11.818 8.152 1.773 1.00 0.00 C ATOM 704 CG PHE A 46 -10.730 8.226 2.810 1.00 0.00 C ATOM 705 CD1 PHE A 46 -11.004 7.982 4.148 1.00 0.00 C ATOM 706 CD2 PHE A 46 -9.432 8.542 2.445 1.00 0.00 C ATOM 707 CE1 PHE A 46 -10.003 8.051 5.099 1.00 0.00 C ATOM 708 CE2 PHE A 46 -8.427 8.613 3.392 1.00 0.00 C ATOM 709 CZ PHE A 46 -8.715 8.367 4.721 1.00 0.00 C ATOM 0 H PHE A 46 -13.661 7.637 3.427 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.642 10.090 2.215 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.176 7.124 1.709 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -11.397 8.404 0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.011 7.735 4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -9.202 8.735 1.408 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.230 7.858 6.137 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -7.419 8.860 3.094 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.932 8.422 5.463 1.00 0.00 H new ATOM 719 N THR A 47 -14.952 8.207 0.890 1.00 0.00 N ATOM 720 CA THR A 47 -15.929 8.103 -0.191 1.00 0.00 C ATOM 721 C THR A 47 -17.353 8.083 0.363 1.00 0.00 C ATOM 722 O THR A 47 -18.168 7.245 -0.024 1.00 0.00 O ATOM 723 CB THR A 47 -15.667 6.837 -1.009 1.00 0.00 C ATOM 724 OG1 THR A 47 -16.727 6.597 -1.917 1.00 0.00 O ATOM 725 CG2 THR A 47 -15.503 5.600 -0.153 1.00 0.00 C ATOM 0 H THR A 47 -15.107 7.556 1.659 1.00 0.00 H new ATOM 0 HA THR A 47 -15.825 8.976 -0.835 1.00 0.00 H new ATOM 0 HB THR A 47 -14.732 7.021 -1.538 1.00 0.00 H new ATOM 0 HG1 THR A 47 -17.552 6.422 -1.418 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.320 4.737 -0.793 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.660 5.735 0.524 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.411 5.436 0.427 1.00 0.00 H new ATOM 841 N VAL A 55 -9.959 10.366 -5.550 1.00 0.00 N ATOM 842 CA VAL A 55 -9.316 9.345 -4.723 1.00 0.00 C ATOM 843 C VAL A 55 -10.024 7.998 -4.875 1.00 0.00 C ATOM 844 O VAL A 55 -9.396 6.982 -5.172 1.00 0.00 O ATOM 845 CB VAL A 55 -9.253 9.765 -3.221 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.676 11.212 -3.034 1.00 0.00 C ATOM 847 CG2 VAL A 55 -10.091 8.855 -2.325 1.00 0.00 C ATOM 0 HA VAL A 55 -8.290 9.242 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.211 9.660 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.621 11.473 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.012 11.862 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.699 11.340 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.013 9.190 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.134 8.893 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.726 7.831 -2.403 1.00 0.00 H new ATOM 857 N LEU A 56 -11.333 8.006 -4.656 1.00 0.00 N ATOM 858 CA LEU A 56 -12.148 6.823 -4.746 1.00 0.00 C ATOM 859 C LEU A 56 -12.087 6.201 -6.136 1.00 0.00 C ATOM 860 O LEU A 56 -11.845 5.003 -6.283 1.00 0.00 O ATOM 861 CB LEU A 56 -13.579 7.233 -4.401 1.00 0.00 C ATOM 862 CG LEU A 56 -14.673 6.260 -4.798 1.00 0.00 C ATOM 863 CD1 LEU A 56 -15.007 6.377 -6.280 1.00 0.00 C ATOM 864 CD2 LEU A 56 -14.266 4.846 -4.453 1.00 0.00 C ATOM 0 H LEU A 56 -11.854 8.847 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.781 6.066 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.638 7.393 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.784 8.191 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 56 -15.572 6.513 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.794 5.667 -6.533 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.348 7.389 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -14.118 6.159 -6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -15.060 4.158 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.351 4.590 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.093 4.769 -3.380 1.00 0.00 H new ATOM 876 N ASP A 57 -12.325 7.018 -7.147 1.00 0.00 N ATOM 877 CA ASP A 57 -12.316 6.557 -8.525 1.00 0.00 C ATOM 878 C ASP A 57 -10.915 6.154 -8.975 1.00 0.00 C ATOM 879 O ASP A 57 -10.760 5.330 -9.874 1.00 0.00 O ATOM 880 CB ASP A 57 -12.884 7.640 -9.437 1.00 0.00 C ATOM 881 CG ASP A 57 -12.931 7.214 -10.891 1.00 0.00 C ATOM 882 OD1 ASP A 57 -13.735 6.317 -11.221 1.00 0.00 O ATOM 883 OD2 ASP A 57 -12.166 7.779 -11.700 1.00 0.00 O ATOM 0 H ASP A 57 -12.528 8.012 -7.038 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.944 5.669 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.890 7.898 -9.105 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.277 8.541 -9.346 1.00 0.00 H new ATOM 888 N ARG A 58 -9.895 6.735 -8.350 1.00 0.00 N ATOM 889 CA ARG A 58 -8.513 6.424 -8.703 1.00 0.00 C ATOM 890 C ARG A 58 -8.242 4.934 -8.542 1.00 0.00 C ATOM 891 O ARG A 58 -7.462 4.349 -9.294 1.00 0.00 O ATOM 892 CB ARG A 58 -7.546 7.219 -7.821 1.00 0.00 C ATOM 893 CG ARG A 58 -6.566 8.076 -8.608 1.00 0.00 C ATOM 894 CD ARG A 58 -5.196 8.100 -7.948 1.00 0.00 C ATOM 895 NE ARG A 58 -4.272 9.003 -8.629 1.00 0.00 N ATOM 896 CZ ARG A 58 -3.576 8.675 -9.715 1.00 0.00 C ATOM 897 NH1 ARG A 58 -3.705 7.469 -10.256 1.00 0.00 N ATOM 898 NH2 ARG A 58 -2.751 9.555 -10.264 1.00 0.00 N ATOM 0 H ARG A 58 -9.998 7.420 -7.601 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.358 6.702 -9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.121 7.860 -7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.986 6.525 -7.194 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.476 7.689 -9.623 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.951 9.093 -8.687 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.301 8.407 -6.907 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.779 7.093 -7.942 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.153 9.942 -8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.340 6.788 -9.839 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.169 7.223 -11.088 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.649 10.484 -9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.218 9.304 -11.096 1.00 0.00 H new ATOM 911 N MET A 59 -8.892 4.323 -7.559 1.00 0.00 N ATOM 912 CA MET A 59 -8.721 2.902 -7.304 1.00 0.00 C ATOM 913 C MET A 59 -9.460 2.076 -8.349 1.00 0.00 C ATOM 914 O MET A 59 -8.878 1.214 -9.005 1.00 0.00 O ATOM 915 CB MET A 59 -9.213 2.569 -5.887 1.00 0.00 C ATOM 916 CG MET A 59 -10.651 2.074 -5.796 1.00 0.00 C ATOM 917 SD MET A 59 -11.075 1.379 -4.183 1.00 0.00 S ATOM 918 CE MET A 59 -9.991 2.305 -3.111 1.00 0.00 C ATOM 0 H MET A 59 -9.542 4.791 -6.927 1.00 0.00 H new ATOM 0 HA MET A 59 -7.662 2.651 -7.374 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.557 1.809 -5.462 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.113 3.460 -5.267 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.326 2.901 -6.015 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.815 1.317 -6.563 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.517 1.628 -2.401 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.225 2.800 -3.708 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.568 3.054 -2.569 1.00 0.00 H new ATOM 928 N MET A 60 -10.748 2.353 -8.498 1.00 0.00 N ATOM 929 CA MET A 60 -11.573 1.637 -9.464 1.00 0.00 C ATOM 930 C MET A 60 -11.059 1.855 -10.879 1.00 0.00 C ATOM 931 O MET A 60 -11.028 0.931 -11.691 1.00 0.00 O ATOM 932 CB MET A 60 -13.031 2.083 -9.358 1.00 0.00 C ATOM 933 CG MET A 60 -13.861 1.181 -8.463 1.00 0.00 C ATOM 934 SD MET A 60 -14.815 2.097 -7.244 1.00 0.00 S ATOM 935 CE MET A 60 -13.619 2.146 -5.921 1.00 0.00 C ATOM 0 H MET A 60 -11.244 3.067 -7.964 1.00 0.00 H new ATOM 0 HA MET A 60 -11.515 0.573 -9.236 1.00 0.00 H new ATOM 0 HB2 MET A 60 -13.067 3.102 -8.972 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.473 2.104 -10.354 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.539 0.590 -9.079 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.203 0.480 -7.950 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.135 2.259 -4.968 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.045 1.219 -5.915 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.945 2.989 -6.071 1.00 0.00 H new ATOM 1083 N GLN A 70 -10.532 -10.588 -11.828 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.488 -10.564 -10.370 1.00 0.00 C ATOM 1085 C GLN A 70 -9.538 -9.484 -9.869 1.00 0.00 C ATOM 1086 O GLN A 70 -8.778 -8.905 -10.645 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.057 -11.931 -9.830 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.223 -12.804 -9.397 1.00 0.00 C ATOM 1089 CD GLN A 70 -11.859 -12.313 -8.115 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.723 -11.310 -8.229 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -11.581 -12.832 -7.034 1.00 0.00 N flip ATOM 0 HA GLN A 70 -11.490 -10.335 -10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.487 -12.454 -10.598 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.388 -11.784 -8.982 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.973 -12.824 -10.188 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.876 -13.828 -9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.911 -13.600 -6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.020 -12.494 -6.178 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.581 -9.223 -8.566 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.716 -8.220 -7.968 1.00 0.00 C ATOM 1102 C LEU A 71 -7.252 -8.681 -8.077 1.00 0.00 C ATOM 1103 O LEU A 71 -6.848 -9.128 -9.148 1.00 0.00 O ATOM 1104 CB LEU A 71 -9.161 -7.949 -6.518 1.00 0.00 C ATOM 1105 CG LEU A 71 -9.878 -6.609 -6.264 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -8.917 -5.587 -5.678 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.527 -6.067 -7.532 1.00 0.00 C ATOM 0 H LEU A 71 -10.204 -9.692 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.794 -7.273 -8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.824 -8.756 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.281 -7.994 -5.876 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.672 -6.796 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.444 -4.648 -5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.522 -5.959 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.095 -5.420 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.022 -5.121 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.763 -5.908 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.261 -6.784 -7.900 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.461 -8.590 -6.996 1.00 0.00 N ATOM 1120 CA ASP A 72 -5.050 -9.020 -7.032 1.00 0.00 C ATOM 1121 C ASP A 72 -4.255 -8.393 -5.891 1.00 0.00 C ATOM 1122 O ASP A 72 -4.710 -7.447 -5.251 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.379 -8.655 -8.367 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.001 -9.271 -8.516 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -2.918 -10.448 -8.923 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -2.006 -8.574 -8.225 1.00 0.00 O ATOM 0 H ASP A 72 -6.768 -8.227 -6.094 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.051 -10.104 -6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.012 -8.987 -9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.298 -7.571 -8.444 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.061 -8.935 -5.648 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.185 -8.454 -4.583 1.00 0.00 C ATOM 1133 C PHE A 73 -2.067 -6.928 -4.574 1.00 0.00 C ATOM 1134 O PHE A 73 -2.351 -6.288 -3.559 1.00 0.00 O ATOM 1135 CB PHE A 73 -0.804 -9.113 -4.699 1.00 0.00 C ATOM 1136 CG PHE A 73 0.216 -8.311 -5.460 1.00 0.00 C ATOM 1137 CD1 PHE A 73 0.937 -7.308 -4.831 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.451 -8.558 -6.803 1.00 0.00 C ATOM 1139 CE1 PHE A 73 1.873 -6.568 -5.527 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.386 -7.821 -7.505 1.00 0.00 C ATOM 1141 CZ PHE A 73 2.098 -6.824 -6.865 1.00 0.00 C ATOM 0 H PHE A 73 -2.677 -9.715 -6.181 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.634 -8.738 -3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.422 -9.302 -3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.919 -10.082 -5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.765 -7.103 -3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.103 -9.336 -7.307 1.00 0.00 H new ATOM 0 HE1 PHE A 73 2.428 -5.790 -5.025 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.560 -8.024 -8.551 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.829 -6.246 -7.411 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.651 -6.339 -5.692 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.514 -4.892 -5.756 1.00 0.00 C ATOM 1153 C GLN A 74 -2.868 -4.238 -5.958 1.00 0.00 C ATOM 1154 O GLN A 74 -3.111 -3.148 -5.453 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.551 -4.462 -6.865 1.00 0.00 C ATOM 1156 CG GLN A 74 -0.226 -2.969 -6.848 1.00 0.00 C ATOM 1157 CD GLN A 74 -0.063 -2.407 -5.441 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.540 -1.181 -5.226 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.490 -3.066 -4.560 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.407 -6.833 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.096 -4.562 -4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.376 -5.028 -6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.984 -4.720 -7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.692 -2.797 -7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.020 -2.425 -7.360 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.841 -4.001 -4.767 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.597 -2.677 -3.623 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.757 -4.911 -6.687 1.00 0.00 N ATOM 1169 CA GLU A 75 -5.090 -4.380 -6.930 1.00 0.00 C ATOM 1170 C GLU A 75 -5.679 -3.823 -5.640 1.00 0.00 C ATOM 1171 O GLU A 75 -6.434 -2.851 -5.660 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.998 -5.465 -7.508 1.00 0.00 C ATOM 1173 CG GLU A 75 -6.585 -5.090 -8.854 1.00 0.00 C ATOM 1174 CD GLU A 75 -6.747 -6.276 -9.787 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -5.756 -7.005 -9.998 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -7.863 -6.469 -10.313 1.00 0.00 O ATOM 0 H GLU A 75 -3.577 -5.819 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.016 -3.570 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.430 -6.390 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.809 -5.664 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.557 -4.621 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.944 -4.347 -9.329 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.310 -4.433 -4.517 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.787 -3.976 -3.222 1.00 0.00 C ATOM 1185 C PHE A 76 -4.979 -2.774 -2.743 1.00 0.00 C ATOM 1186 O PHE A 76 -5.538 -1.725 -2.422 1.00 0.00 O ATOM 1187 CB PHE A 76 -5.700 -5.078 -2.167 1.00 0.00 C ATOM 1188 CG PHE A 76 -5.842 -6.484 -2.682 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -7.017 -6.901 -3.281 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -4.810 -7.397 -2.531 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -7.160 -8.203 -3.723 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -4.949 -8.700 -2.975 1.00 0.00 C ATOM 1193 CZ PHE A 76 -6.125 -9.102 -3.570 1.00 0.00 C ATOM 0 H PHE A 76 -4.686 -5.239 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.832 -3.693 -3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.741 -4.992 -1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -6.475 -4.904 -1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.831 -6.202 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.888 -7.088 -2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.083 -8.517 -4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.137 -9.401 -2.855 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.236 -10.119 -3.916 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.657 -2.938 -2.690 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.772 -1.870 -2.243 1.00 0.00 C ATOM 1205 C LEU A 77 -2.881 -0.660 -3.163 1.00 0.00 C ATOM 1206 O LEU A 77 -2.783 0.480 -2.715 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.325 -2.368 -2.169 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.889 -2.847 -0.781 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.422 -3.619 -0.857 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.764 -1.668 0.169 1.00 0.00 C ATOM 0 H LEU A 77 -3.179 -3.800 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.080 -1.564 -1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.199 -3.186 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.661 -1.565 -2.488 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.653 -3.523 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.709 -3.948 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.296 -4.488 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.201 -2.974 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.454 -2.024 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.022 -0.968 -0.215 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.727 -1.165 0.253 1.00 0.00 H new ATOM 1222 N ASN A 78 -3.108 -0.914 -4.445 1.00 0.00 N ATOM 1223 CA ASN A 78 -3.260 0.157 -5.418 1.00 0.00 C ATOM 1224 C ASN A 78 -4.596 0.851 -5.197 1.00 0.00 C ATOM 1225 O ASN A 78 -4.714 2.066 -5.348 1.00 0.00 O ATOM 1226 CB ASN A 78 -3.165 -0.396 -6.853 1.00 0.00 C ATOM 1227 CG ASN A 78 -4.201 0.192 -7.795 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -5.270 -0.557 -8.036 1.00 0.00 O flip ATOM 1229 ND2 ASN A 78 -4.040 1.304 -8.298 1.00 0.00 N flip ATOM 0 H ASN A 78 -3.191 -1.853 -4.834 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.455 0.880 -5.285 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.169 -0.193 -7.248 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.283 -1.479 -6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.202 1.844 -8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.745 1.685 -8.929 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.604 0.061 -4.836 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.930 0.592 -4.596 1.00 0.00 C ATOM 1238 C LEU A 79 -6.931 1.517 -3.381 1.00 0.00 C ATOM 1239 O LEU A 79 -7.285 2.691 -3.488 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.934 -0.552 -4.400 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.827 -0.881 -5.610 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -8.051 -0.831 -6.915 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -9.453 -2.252 -5.439 1.00 0.00 C ATOM 0 H LEU A 79 -5.521 -0.947 -4.705 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.230 1.174 -5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.381 -1.451 -4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.577 -0.304 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.609 -0.123 -5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.717 -1.069 -7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.640 0.169 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.238 -1.557 -6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.083 -2.475 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.667 -3.003 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.060 -2.265 -4.533 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.516 0.993 -2.230 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.461 1.793 -1.014 1.00 0.00 C ATOM 1257 C ILE A 80 -5.279 2.750 -1.059 1.00 0.00 C ATOM 1258 O ILE A 80 -5.399 3.919 -0.692 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.392 0.931 0.261 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -6.768 1.774 1.478 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -5.012 0.339 0.443 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.624 2.618 2.006 1.00 0.00 C ATOM 0 H ILE A 80 -6.215 0.025 -2.116 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.390 2.362 -0.970 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.101 0.109 0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.600 2.427 1.215 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.120 1.115 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.992 -0.265 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.769 -0.288 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.280 1.142 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.962 3.190 2.870 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.799 1.969 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.287 3.302 1.227 1.00 0.00 H new ATOM 1274 N GLY A 81 -4.138 2.253 -1.534 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.960 3.092 -1.643 1.00 0.00 C ATOM 1276 C GLY A 81 -3.271 4.357 -2.409 1.00 0.00 C ATOM 1277 O GLY A 81 -2.981 5.461 -1.951 1.00 0.00 O ATOM 0 H GLY A 81 -4.011 1.289 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.595 3.345 -0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.163 2.544 -2.145 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.894 4.191 -3.574 1.00 0.00 N ATOM 1282 CA GLY A 82 -4.270 5.339 -4.379 1.00 0.00 C ATOM 1283 C GLY A 82 -5.054 6.358 -3.569 1.00 0.00 C ATOM 1284 O GLY A 82 -4.884 7.564 -3.745 1.00 0.00 O ATOM 0 H GLY A 82 -4.144 3.286 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.374 5.808 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.870 5.009 -5.227 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.904 5.872 -2.665 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.692 6.759 -1.814 1.00 0.00 C ATOM 1290 C LEU A 83 -5.777 7.595 -0.929 1.00 0.00 C ATOM 1291 O LEU A 83 -5.943 8.809 -0.820 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.657 5.962 -0.938 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.280 4.741 -1.607 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.343 4.126 -0.711 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.860 5.116 -2.961 1.00 0.00 C ATOM 0 H LEU A 83 -6.063 4.877 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.269 7.418 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.126 5.636 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.457 6.625 -0.610 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.500 3.996 -1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.776 3.256 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.891 3.820 0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.125 4.860 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.301 4.234 -3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.628 5.878 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.068 5.505 -3.601 1.00 0.00 H new ATOM 1307 N ALA A 84 -4.810 6.935 -0.294 1.00 0.00 N ATOM 1308 CA ALA A 84 -3.871 7.627 0.585 1.00 0.00 C ATOM 1309 C ALA A 84 -3.166 8.761 -0.141 1.00 0.00 C ATOM 1310 O ALA A 84 -2.785 9.764 0.462 1.00 0.00 O ATOM 1311 CB ALA A 84 -2.829 6.659 1.109 1.00 0.00 C ATOM 0 H ALA A 84 -4.657 5.929 -0.371 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.445 8.041 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.136 7.189 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.320 5.864 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.280 6.227 0.272 1.00 0.00 H new ATOM 1317 N VAL A 85 -2.979 8.582 -1.437 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.297 9.576 -2.253 1.00 0.00 C ATOM 1319 C VAL A 85 -3.247 10.655 -2.737 1.00 0.00 C ATOM 1320 O VAL A 85 -2.821 11.724 -3.171 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.578 8.948 -3.468 1.00 0.00 C ATOM 1322 CG1 VAL A 85 -0.109 9.307 -3.428 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.742 7.434 -3.508 1.00 0.00 C ATOM 0 H VAL A 85 -3.290 7.757 -1.949 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.547 10.027 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.035 9.350 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.397 8.864 -4.285 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.002 10.391 -3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.334 8.926 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.221 7.034 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.322 6.998 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.801 7.184 -3.573 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.530 10.365 -2.672 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.539 11.302 -3.115 1.00 0.00 C ATOM 1335 C ALA A 86 -6.420 11.767 -1.960 1.00 0.00 C ATOM 1336 O ALA A 86 -7.417 12.457 -2.166 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.363 10.641 -4.191 1.00 0.00 C ATOM 0 H ALA A 86 -4.899 9.484 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.053 12.192 -3.514 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.130 11.333 -4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.718 10.366 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.837 9.746 -3.788 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.044 11.387 -0.741 1.00 0.00 N ATOM 1344 CA CYS A 87 -6.803 11.766 0.441 1.00 0.00 C ATOM 1345 C CYS A 87 -5.879 11.990 1.635 1.00 0.00 C ATOM 1346 O CYS A 87 -6.051 12.949 2.388 1.00 0.00 O ATOM 1347 CB CYS A 87 -7.842 10.692 0.772 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.553 11.260 0.640 1.00 0.00 S ATOM 0 H CYS A 87 -5.219 10.818 -0.549 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.318 12.703 0.227 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.699 9.844 0.103 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.667 10.331 1.786 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.326 10.474 1.329 1.00 0.00 H new ATOM 1354 N HIS A 88 -4.899 11.105 1.809 1.00 0.00 N ATOM 1355 CA HIS A 88 -3.962 11.231 2.921 1.00 0.00 C ATOM 1356 C HIS A 88 -2.803 12.154 2.556 1.00 0.00 C ATOM 1357 O HIS A 88 -2.708 12.632 1.426 1.00 0.00 O ATOM 1358 CB HIS A 88 -3.425 9.861 3.335 1.00 0.00 C ATOM 1359 CG HIS A 88 -4.230 9.202 4.410 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -4.015 9.424 5.754 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -5.255 8.320 4.337 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -4.872 8.708 6.459 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -5.636 8.030 5.623 1.00 0.00 N ATOM 0 H HIS A 88 -4.735 10.302 1.201 1.00 0.00 H new ATOM 0 HA HIS A 88 -4.502 11.666 3.762 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.400 9.210 2.461 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -2.397 9.972 3.679 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -3.305 10.044 6.143 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.692 7.919 3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -4.937 8.682 7.537 1.00 0.00 H new ATOM 1372 N GLU A 89 -1.924 12.400 3.524 1.00 0.00 N ATOM 1373 CA GLU A 89 -0.771 13.264 3.308 1.00 0.00 C ATOM 1374 C GLU A 89 0.257 12.584 2.411 1.00 0.00 C ATOM 1375 O GLU A 89 0.994 11.701 2.852 1.00 0.00 O ATOM 1376 CB GLU A 89 -0.130 13.643 4.645 1.00 0.00 C ATOM 1377 CG GLU A 89 0.960 14.694 4.522 1.00 0.00 C ATOM 1378 CD GLU A 89 1.385 15.254 5.865 1.00 0.00 C ATOM 1379 OE1 GLU A 89 0.532 15.847 6.558 1.00 0.00 O ATOM 1380 OE2 GLU A 89 2.572 15.101 6.223 1.00 0.00 O ATOM 0 H GLU A 89 -1.990 12.012 4.465 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.117 14.171 2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.904 14.012 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.290 12.748 5.103 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.826 14.257 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.605 15.508 3.889 1.00 0.00 H new ATOM 1387 N SER A 90 0.301 13.001 1.150 1.00 0.00 N ATOM 1388 CA SER A 90 1.237 12.432 0.188 1.00 0.00 C ATOM 1389 C SER A 90 1.242 13.239 -1.106 1.00 0.00 C ATOM 1390 O SER A 90 2.285 13.719 -1.545 1.00 0.00 O ATOM 1391 CB SER A 90 0.874 10.974 -0.104 1.00 0.00 C ATOM 1392 OG SER A 90 -0.483 10.714 0.207 1.00 0.00 O ATOM 0 H SER A 90 -0.301 13.732 0.770 1.00 0.00 H new ATOM 0 HA SER A 90 2.237 12.470 0.621 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.058 10.754 -1.156 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.517 10.313 0.477 1.00 0.00 H new ATOM 0 HG SER A 90 -0.533 10.147 1.005 1.00 0.00 H new ATOM 1398 N PHE A 91 0.067 13.383 -1.711 1.00 0.00 N ATOM 1399 CA PHE A 91 -0.067 14.132 -2.955 1.00 0.00 C ATOM 1400 C PHE A 91 -1.119 15.228 -2.820 1.00 0.00 C ATOM 1401 O PHE A 91 -0.909 16.362 -3.250 1.00 0.00 O ATOM 1402 CB PHE A 91 -0.436 13.190 -4.104 1.00 0.00 C ATOM 1403 CG PHE A 91 0.591 13.149 -5.199 1.00 0.00 C ATOM 1404 CD1 PHE A 91 0.985 14.312 -5.842 1.00 0.00 C ATOM 1405 CD2 PHE A 91 1.162 11.948 -5.587 1.00 0.00 C ATOM 1406 CE1 PHE A 91 1.930 14.278 -6.849 1.00 0.00 C ATOM 1407 CE2 PHE A 91 2.107 11.907 -6.594 1.00 0.00 C ATOM 1408 CZ PHE A 91 2.491 13.073 -7.226 1.00 0.00 C ATOM 0 H PHE A 91 -0.806 12.990 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 91 0.892 14.601 -3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.574 12.184 -3.708 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.392 13.501 -4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.548 15.256 -5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.865 11.033 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.230 15.192 -7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.545 10.964 -6.886 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.229 13.043 -8.014 1.00 0.00 H new ATOM 1418 N VAL A 92 -2.253 14.880 -2.220 1.00 0.00 N ATOM 1419 CA VAL A 92 -3.340 15.832 -2.028 1.00 0.00 C ATOM 1420 C VAL A 92 -3.011 16.834 -0.924 1.00 0.00 C ATOM 1421 O VAL A 92 -3.548 17.941 -0.898 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.660 15.113 -1.684 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -4.520 14.318 -0.394 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -5.805 16.110 -1.584 1.00 0.00 C ATOM 0 H VAL A 92 -2.443 13.945 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.462 16.367 -2.970 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.888 14.414 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.463 13.819 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.733 13.573 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.264 14.992 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.727 15.582 -1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.587 16.838 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.923 16.625 -2.537 1.00 0.00 H new ATOM 1638 N THR B 4 -10.591 5.474 12.167 1.00 0.00 N ATOM 1639 CA THR B 4 -11.031 4.132 11.796 1.00 0.00 C ATOM 1640 C THR B 4 -9.849 3.183 11.681 1.00 0.00 C ATOM 1641 O THR B 4 -8.725 3.591 11.390 1.00 0.00 O ATOM 1642 CB THR B 4 -11.819 4.169 10.482 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.873 2.883 9.889 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.244 5.124 9.456 1.00 0.00 C ATOM 0 HA THR B 4 -11.687 3.762 12.584 1.00 0.00 H new ATOM 0 HB THR B 4 -12.813 4.519 10.759 1.00 0.00 H new ATOM 0 HG1 THR B 4 -12.215 2.959 8.974 1.00 0.00 H new ATOM 0 HG21 THR B 4 -11.853 5.097 8.552 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.241 6.136 9.862 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.223 4.827 9.215 1.00 0.00 H new ATOM 1652 N GLU B 5 -10.125 1.911 11.923 1.00 0.00 N ATOM 1653 CA GLU B 5 -9.114 0.866 11.869 1.00 0.00 C ATOM 1654 C GLU B 5 -8.226 1.005 10.634 1.00 0.00 C ATOM 1655 O GLU B 5 -6.999 0.989 10.737 1.00 0.00 O ATOM 1656 CB GLU B 5 -9.812 -0.487 11.876 1.00 0.00 C ATOM 1657 CG GLU B 5 -9.140 -1.521 12.764 1.00 0.00 C ATOM 1658 CD GLU B 5 -9.269 -1.193 14.239 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -8.549 -0.289 14.712 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -10.091 -1.841 14.921 1.00 0.00 O ATOM 0 H GLU B 5 -11.057 1.574 12.163 1.00 0.00 H new ATOM 0 HA GLU B 5 -8.465 0.956 12.740 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.842 -0.352 12.207 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.853 -0.869 10.856 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -9.580 -2.500 12.573 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -8.084 -1.589 12.501 1.00 0.00 H new ATOM 1667 N THR B 6 -8.850 1.163 9.471 1.00 0.00 N ATOM 1668 CA THR B 6 -8.106 1.327 8.228 1.00 0.00 C ATOM 1669 C THR B 6 -7.271 2.599 8.288 1.00 0.00 C ATOM 1670 O THR B 6 -6.131 2.631 7.834 1.00 0.00 O ATOM 1671 CB THR B 6 -9.062 1.386 7.036 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.233 0.631 7.294 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.450 0.864 5.756 1.00 0.00 C ATOM 0 H THR B 6 -9.864 1.181 9.364 1.00 0.00 H new ATOM 0 HA THR B 6 -7.445 0.470 8.101 1.00 0.00 H new ATOM 0 HB THR B 6 -9.297 2.442 6.904 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.406 0.029 6.541 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.180 0.933 4.949 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.572 1.459 5.504 1.00 0.00 H new ATOM 0 HG23 THR B 6 -8.156 -0.177 5.891 1.00 0.00 H new ATOM 1681 N GLU B 7 -7.843 3.643 8.873 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.148 4.919 9.003 1.00 0.00 C ATOM 1683 C GLU B 7 -5.774 4.711 9.631 1.00 0.00 C ATOM 1684 O GLU B 7 -4.829 5.447 9.343 1.00 0.00 O ATOM 1685 CB GLU B 7 -7.975 5.887 9.855 1.00 0.00 C ATOM 1686 CG GLU B 7 -8.317 7.184 9.140 1.00 0.00 C ATOM 1687 CD GLU B 7 -7.771 8.405 9.853 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -6.644 8.329 10.383 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -8.473 9.439 9.882 1.00 0.00 O ATOM 0 H GLU B 7 -8.785 3.633 9.265 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.018 5.348 8.009 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -8.899 5.394 10.158 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.424 6.118 10.766 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -7.918 7.152 8.126 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -9.400 7.272 9.054 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.669 3.692 10.477 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.409 3.368 11.132 1.00 0.00 C ATOM 1698 C ARG B 8 -3.490 2.595 10.188 1.00 0.00 C ATOM 1699 O ARG B 8 -2.268 2.655 10.312 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.666 2.552 12.402 1.00 0.00 C ATOM 1701 CG ARG B 8 -4.311 3.292 13.682 1.00 0.00 C ATOM 1702 CD ARG B 8 -3.757 2.349 14.739 1.00 0.00 C ATOM 1703 NE ARG B 8 -4.694 2.152 15.842 1.00 0.00 N ATOM 1704 CZ ARG B 8 -4.608 1.154 16.719 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -3.631 0.261 16.624 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -5.500 1.049 17.694 1.00 0.00 N ATOM 0 H ARG B 8 -6.443 3.076 10.725 1.00 0.00 H new ATOM 0 HA ARG B 8 -3.916 4.301 11.404 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.718 2.269 12.435 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.089 1.629 12.354 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -3.576 4.066 13.463 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -5.197 3.794 14.070 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -3.528 1.386 14.282 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -2.820 2.749 15.126 1.00 0.00 H new ATOM 0 HE ARG B 8 -5.459 2.818 15.947 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -2.941 0.337 15.876 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -3.570 -0.502 17.299 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -6.253 1.733 17.773 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -5.434 0.284 18.366 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.086 1.863 9.246 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.313 1.074 8.290 1.00 0.00 C ATOM 1721 C CYS B 9 -2.678 1.963 7.224 1.00 0.00 C ATOM 1722 O CYS B 9 -1.522 1.768 6.848 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.194 -0.008 7.640 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.227 0.556 6.264 1.00 0.00 S ATOM 0 H CYS B 9 -5.097 1.801 9.126 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.509 0.582 8.837 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.550 -0.811 7.283 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -4.841 -0.435 8.407 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.820 1.665 6.593 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.438 2.939 6.739 1.00 0.00 N ATOM 1731 CA ILE B 10 -2.947 3.852 5.719 1.00 0.00 C ATOM 1732 C ILE B 10 -1.856 4.760 6.267 1.00 0.00 C ATOM 1733 O ILE B 10 -0.770 4.855 5.701 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.080 4.737 5.166 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.308 3.896 4.822 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -3.604 5.502 3.942 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.484 4.149 5.731 1.00 0.00 C ATOM 0 H ILE B 10 -4.397 3.116 7.038 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.541 3.233 4.919 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.362 5.452 5.939 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.603 4.102 3.793 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.041 2.840 4.872 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.416 6.123 3.563 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -2.760 6.135 4.214 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.295 4.797 3.170 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.320 3.518 5.429 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.206 3.915 6.759 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -6.777 5.197 5.664 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.162 5.442 7.364 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.222 6.372 7.982 1.00 0.00 C ATOM 1751 C GLU B 11 0.139 5.730 8.232 1.00 0.00 C ATOM 1752 O GLU B 11 1.156 6.422 8.278 1.00 0.00 O ATOM 1753 CB GLU B 11 -1.797 6.904 9.295 1.00 0.00 C ATOM 1754 CG GLU B 11 -1.965 8.415 9.314 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.711 9.015 10.683 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -0.539 9.048 11.109 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -2.687 9.450 11.330 1.00 0.00 O ATOM 0 H GLU B 11 -3.058 5.369 7.846 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.073 7.197 7.286 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.765 6.436 9.475 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.143 6.609 10.115 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.280 8.862 8.593 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -2.975 8.668 8.993 1.00 0.00 H new ATOM 1764 N SER B 12 0.160 4.416 8.411 1.00 0.00 N ATOM 1765 CA SER B 12 1.410 3.717 8.676 1.00 0.00 C ATOM 1766 C SER B 12 2.286 3.606 7.424 1.00 0.00 C ATOM 1767 O SER B 12 3.440 4.027 7.440 1.00 0.00 O ATOM 1768 CB SER B 12 1.125 2.327 9.242 1.00 0.00 C ATOM 1769 OG SER B 12 0.176 2.388 10.291 1.00 0.00 O ATOM 0 H SER B 12 -0.665 3.818 8.378 1.00 0.00 H new ATOM 0 HA SER B 12 1.962 4.304 9.410 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.754 1.677 8.449 1.00 0.00 H new ATOM 0 HB3 SER B 12 2.050 1.884 9.610 1.00 0.00 H new ATOM 0 HG SER B 12 -0.729 2.359 9.916 1.00 0.00 H new ATOM 1775 N LEU B 13 1.748 3.031 6.348 1.00 0.00 N ATOM 1776 CA LEU B 13 2.507 2.861 5.113 1.00 0.00 C ATOM 1777 C LEU B 13 2.909 4.197 4.486 1.00 0.00 C ATOM 1778 O LEU B 13 3.930 4.294 3.805 1.00 0.00 O ATOM 1779 CB LEU B 13 1.692 2.038 4.126 1.00 0.00 C ATOM 1780 CG LEU B 13 1.960 0.536 4.179 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.433 0.250 3.965 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.510 -0.056 5.499 1.00 0.00 C ATOM 0 H LEU B 13 0.792 2.677 6.308 1.00 0.00 H new ATOM 0 HA LEU B 13 3.431 2.338 5.360 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.633 2.212 4.315 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.898 2.395 3.117 1.00 0.00 H new ATOM 0 HG LEU B 13 1.385 0.070 3.378 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.605 -0.826 4.006 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.739 0.629 2.990 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.016 0.740 4.745 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.714 -1.127 5.506 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.051 0.422 6.315 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.440 0.110 5.626 1.00 0.00 H new ATOM 1794 N ILE B 14 2.118 5.229 4.714 1.00 0.00 N ATOM 1795 CA ILE B 14 2.422 6.534 4.176 1.00 0.00 C ATOM 1796 C ILE B 14 3.634 7.119 4.843 1.00 0.00 C ATOM 1797 O ILE B 14 4.425 7.822 4.229 1.00 0.00 O ATOM 1798 CB ILE B 14 1.302 7.525 4.465 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.040 6.981 4.035 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.595 8.851 3.808 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.165 7.581 4.832 1.00 0.00 C ATOM 0 H ILE B 14 1.262 5.185 5.268 1.00 0.00 H new ATOM 0 HA ILE B 14 2.570 6.389 3.106 1.00 0.00 H new ATOM 0 HB ILE B 14 1.253 7.681 5.543 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.194 7.188 2.976 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.048 5.897 4.153 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.787 9.550 4.023 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.532 9.250 4.196 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.678 8.712 2.730 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.114 7.165 4.493 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.025 7.352 5.888 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.173 8.662 4.693 1.00 0.00 H new ATOM 1813 N ALA B 15 3.709 6.873 6.129 1.00 0.00 N ATOM 1814 CA ALA B 15 4.745 7.428 6.952 1.00 0.00 C ATOM 1815 C ALA B 15 6.060 6.692 6.813 1.00 0.00 C ATOM 1816 O ALA B 15 7.127 7.299 6.901 1.00 0.00 O ATOM 1817 CB ALA B 15 4.246 7.468 8.372 1.00 0.00 C ATOM 0 H ALA B 15 3.049 6.280 6.631 1.00 0.00 H new ATOM 0 HA ALA B 15 4.966 8.442 6.619 1.00 0.00 H new ATOM 0 HB1 ALA B 15 5.018 7.887 9.017 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.352 8.089 8.426 1.00 0.00 H new ATOM 0 HB3 ALA B 15 4.006 6.457 8.702 1.00 0.00 H new ATOM 1823 N VAL B 16 5.994 5.398 6.550 1.00 0.00 N ATOM 1824 CA VAL B 16 7.197 4.627 6.351 1.00 0.00 C ATOM 1825 C VAL B 16 8.025 5.290 5.264 1.00 0.00 C ATOM 1826 O VAL B 16 9.252 5.361 5.343 1.00 0.00 O ATOM 1827 CB VAL B 16 6.862 3.192 5.904 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.979 2.500 6.914 1.00 0.00 C ATOM 1829 CG2 VAL B 16 6.173 3.212 4.556 1.00 0.00 C ATOM 0 H VAL B 16 5.126 4.868 6.471 1.00 0.00 H new ATOM 0 HA VAL B 16 7.746 4.585 7.292 1.00 0.00 H new ATOM 0 HB VAL B 16 7.798 2.638 5.825 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.759 1.489 6.572 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.492 2.455 7.875 1.00 0.00 H new ATOM 0 HG13 VAL B 16 5.048 3.056 7.025 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.941 2.192 4.251 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.250 3.788 4.628 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.831 3.671 3.818 1.00 0.00 H new ATOM 1839 N PHE B 17 7.322 5.750 4.231 1.00 0.00 N ATOM 1840 CA PHE B 17 7.971 6.387 3.093 1.00 0.00 C ATOM 1841 C PHE B 17 8.322 7.866 3.305 1.00 0.00 C ATOM 1842 O PHE B 17 9.471 8.253 3.109 1.00 0.00 O ATOM 1843 CB PHE B 17 7.135 6.204 1.820 1.00 0.00 C ATOM 1844 CG PHE B 17 6.090 7.262 1.570 1.00 0.00 C ATOM 1845 CD1 PHE B 17 6.452 8.528 1.137 1.00 0.00 C ATOM 1846 CD2 PHE B 17 4.746 6.979 1.748 1.00 0.00 C ATOM 1847 CE1 PHE B 17 5.494 9.493 0.891 1.00 0.00 C ATOM 1848 CE2 PHE B 17 3.783 7.942 1.506 1.00 0.00 C ATOM 1849 CZ PHE B 17 4.158 9.200 1.077 1.00 0.00 C ATOM 0 H PHE B 17 6.306 5.693 4.161 1.00 0.00 H new ATOM 0 HA PHE B 17 8.927 5.876 2.981 1.00 0.00 H new ATOM 0 HB2 PHE B 17 7.810 6.176 0.964 1.00 0.00 H new ATOM 0 HB3 PHE B 17 6.640 5.234 1.868 1.00 0.00 H new ATOM 0 HD1 PHE B 17 7.496 8.763 0.990 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.447 5.996 2.079 1.00 0.00 H new ATOM 0 HE1 PHE B 17 5.790 10.475 0.554 1.00 0.00 H new ATOM 0 HE2 PHE B 17 2.738 7.710 1.652 1.00 0.00 H new ATOM 0 HZ PHE B 17 3.407 9.953 0.887 1.00 0.00 H new ATOM 1859 N GLN B 18 7.340 8.704 3.658 1.00 0.00 N ATOM 1860 CA GLN B 18 7.606 10.134 3.816 1.00 0.00 C ATOM 1861 C GLN B 18 8.599 10.399 4.928 1.00 0.00 C ATOM 1862 O GLN B 18 9.299 11.412 4.910 1.00 0.00 O ATOM 1863 CB GLN B 18 6.324 10.940 4.032 1.00 0.00 C ATOM 1864 CG GLN B 18 5.272 10.219 4.840 1.00 0.00 C ATOM 1865 CD GLN B 18 5.165 10.742 6.241 1.00 0.00 C ATOM 1866 OE1 GLN B 18 5.959 10.161 7.119 1.00 0.00 O flip ATOM 1867 NE2 GLN B 18 4.386 11.650 6.533 1.00 0.00 N flip ATOM 0 H GLN B 18 6.376 8.423 3.836 1.00 0.00 H new ATOM 0 HA GLN B 18 8.050 10.470 2.879 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.575 11.874 4.534 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.904 11.202 3.061 1.00 0.00 H new ATOM 0 HG2 GLN B 18 4.306 10.318 4.344 1.00 0.00 H new ATOM 0 HG3 GLN B 18 5.507 9.155 4.870 1.00 0.00 H new ATOM 0 HE21 GLN B 18 3.794 12.065 5.814 1.00 0.00 H new ATOM 0 HE22 GLN B 18 4.333 11.987 7.494 1.00 0.00 H new ATOM 1876 N LYS B 19 8.689 9.483 5.883 1.00 0.00 N ATOM 1877 CA LYS B 19 9.640 9.645 6.969 1.00 0.00 C ATOM 1878 C LYS B 19 11.021 9.881 6.370 1.00 0.00 C ATOM 1879 O LYS B 19 11.692 10.864 6.684 1.00 0.00 O ATOM 1880 CB LYS B 19 9.640 8.395 7.856 1.00 0.00 C ATOM 1881 CG LYS B 19 10.729 8.383 8.916 1.00 0.00 C ATOM 1882 CD LYS B 19 10.215 8.907 10.247 1.00 0.00 C ATOM 1883 CE LYS B 19 9.746 7.776 11.146 1.00 0.00 C ATOM 1884 NZ LYS B 19 8.513 8.138 11.899 1.00 0.00 N ATOM 0 H LYS B 19 8.125 8.635 5.927 1.00 0.00 H new ATOM 0 HA LYS B 19 9.362 10.497 7.589 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.670 8.311 8.347 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.754 7.515 7.224 1.00 0.00 H new ATOM 0 HG2 LYS B 19 11.103 7.367 9.043 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.569 8.993 8.583 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.004 9.468 10.748 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.392 9.600 10.073 1.00 0.00 H new ATOM 0 HE2 LYS B 19 9.555 6.888 10.543 1.00 0.00 H new ATOM 0 HE3 LYS B 19 10.538 7.519 11.849 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 8.226 7.339 12.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 8.701 8.970 12.494 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.749 8.358 11.229 1.00 0.00 H new ATOM 1898 N TYR B 20 11.405 8.995 5.456 1.00 0.00 N ATOM 1899 CA TYR B 20 12.666 9.119 4.745 1.00 0.00 C ATOM 1900 C TYR B 20 12.515 10.105 3.592 1.00 0.00 C ATOM 1901 O TYR B 20 13.472 10.756 3.173 1.00 0.00 O ATOM 1902 CB TYR B 20 13.133 7.752 4.244 1.00 0.00 C ATOM 1903 CG TYR B 20 14.034 7.038 5.226 1.00 0.00 C ATOM 1904 CD1 TYR B 20 13.505 6.364 6.321 1.00 0.00 C ATOM 1905 CD2 TYR B 20 15.413 7.043 5.064 1.00 0.00 C ATOM 1906 CE1 TYR B 20 14.326 5.717 7.225 1.00 0.00 C ATOM 1907 CE2 TYR B 20 16.240 6.397 5.962 1.00 0.00 C ATOM 1908 CZ TYR B 20 15.692 5.735 7.041 1.00 0.00 C ATOM 1909 OH TYR B 20 16.513 5.092 7.938 1.00 0.00 O ATOM 0 H TYR B 20 10.854 8.179 5.191 1.00 0.00 H new ATOM 0 HA TYR B 20 13.425 9.501 5.427 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.262 7.129 4.040 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.663 7.879 3.300 1.00 0.00 H new ATOM 0 HD1 TYR B 20 12.435 6.346 6.467 1.00 0.00 H new ATOM 0 HD2 TYR B 20 15.846 7.561 4.221 1.00 0.00 H new ATOM 0 HE1 TYR B 20 13.899 5.200 8.072 1.00 0.00 H new ATOM 0 HE2 TYR B 20 17.311 6.410 5.820 1.00 0.00 H new ATOM 0 HH TYR B 20 15.969 4.678 8.640 1.00 0.00 H new ATOM 1919 N ALA B 21 11.287 10.179 3.075 1.00 0.00 N ATOM 1920 CA ALA B 21 10.949 11.046 1.951 1.00 0.00 C ATOM 1921 C ALA B 21 10.596 12.463 2.403 1.00 0.00 C ATOM 1922 O ALA B 21 9.946 13.207 1.670 1.00 0.00 O ATOM 1923 CB ALA B 21 9.788 10.427 1.181 1.00 0.00 C ATOM 0 H ALA B 21 10.498 9.636 3.427 1.00 0.00 H new ATOM 0 HA ALA B 21 11.824 11.130 1.306 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.527 11.068 0.338 1.00 0.00 H new ATOM 0 HB2 ALA B 21 10.079 9.443 0.813 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.926 10.327 1.841 1.00 0.00 H new ATOM 1929 N GLY B 22 11.027 12.834 3.606 1.00 0.00 N ATOM 1930 CA GLY B 22 10.740 14.163 4.115 1.00 0.00 C ATOM 1931 C GLY B 22 11.291 15.259 3.223 1.00 0.00 C ATOM 1932 O GLY B 22 11.549 15.035 2.040 1.00 0.00 O ATOM 0 H GLY B 22 11.568 12.240 4.235 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.661 14.286 4.212 1.00 0.00 H new ATOM 0 HA3 GLY B 22 11.164 14.265 5.114 1.00 0.00 H new ATOM 2006 N VAL B 28 7.452 15.609 -4.190 1.00 0.00 N ATOM 2007 CA VAL B 28 6.977 14.495 -3.378 1.00 0.00 C ATOM 2008 C VAL B 28 7.659 13.192 -3.787 1.00 0.00 C ATOM 2009 O VAL B 28 7.100 12.394 -4.539 1.00 0.00 O ATOM 2010 CB VAL B 28 5.448 14.332 -3.493 1.00 0.00 C ATOM 2011 CG1 VAL B 28 5.039 14.106 -4.942 1.00 0.00 C ATOM 2012 CG2 VAL B 28 4.956 13.198 -2.604 1.00 0.00 C ATOM 0 HA VAL B 28 7.229 14.720 -2.342 1.00 0.00 H new ATOM 0 HB VAL B 28 4.980 15.254 -3.149 1.00 0.00 H new ATOM 0 HG11 VAL B 28 3.956 13.993 -5.001 1.00 0.00 H new ATOM 0 HG12 VAL B 28 5.349 14.960 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.519 13.203 -5.319 1.00 0.00 H new ATOM 0 HG21 VAL B 28 3.875 13.102 -2.702 1.00 0.00 H new ATOM 0 HG22 VAL B 28 5.432 12.265 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL B 28 5.209 13.414 -1.566 1.00 0.00 H new ATOM 2022 N THR B 29 8.874 12.986 -3.288 1.00 0.00 N ATOM 2023 CA THR B 29 9.635 11.785 -3.601 1.00 0.00 C ATOM 2024 C THR B 29 10.634 11.463 -2.501 1.00 0.00 C ATOM 2025 O THR B 29 10.990 12.322 -1.695 1.00 0.00 O ATOM 2026 CB THR B 29 10.373 11.954 -4.924 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.983 13.230 -5.003 1.00 0.00 O ATOM 2028 CG2 THR B 29 9.473 11.796 -6.125 1.00 0.00 C ATOM 0 H THR B 29 9.352 13.637 -2.665 1.00 0.00 H new ATOM 0 HA THR B 29 8.929 10.958 -3.682 1.00 0.00 H new ATOM 0 HB THR B 29 11.123 11.163 -4.943 1.00 0.00 H new ATOM 0 HG1 THR B 29 11.452 13.316 -5.859 1.00 0.00 H new ATOM 0 HG21 THR B 29 10.056 11.927 -7.036 1.00 0.00 H new ATOM 0 HG22 THR B 29 9.029 10.801 -6.118 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.683 12.546 -6.089 1.00 0.00 H new ATOM 2036 N LEU B 30 11.086 10.218 -2.485 1.00 0.00 N ATOM 2037 CA LEU B 30 12.057 9.765 -1.496 1.00 0.00 C ATOM 2038 C LEU B 30 13.375 9.393 -2.187 1.00 0.00 C ATOM 2039 O LEU B 30 14.019 10.248 -2.790 1.00 0.00 O ATOM 2040 CB LEU B 30 11.487 8.577 -0.703 1.00 0.00 C ATOM 2041 CG LEU B 30 12.156 8.285 0.649 1.00 0.00 C ATOM 2042 CD1 LEU B 30 12.365 6.789 0.826 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.481 9.027 0.788 1.00 0.00 C ATOM 0 H LEU B 30 10.795 9.499 -3.148 1.00 0.00 H new ATOM 0 HA LEU B 30 12.260 10.573 -0.793 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.426 8.758 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.561 7.683 -1.323 1.00 0.00 H new ATOM 0 HG LEU B 30 11.490 8.643 1.434 1.00 0.00 H new ATOM 0 HD11 LEU B 30 12.840 6.599 1.789 1.00 0.00 H new ATOM 0 HD12 LEU B 30 11.402 6.280 0.790 1.00 0.00 H new ATOM 0 HD13 LEU B 30 13.004 6.414 0.026 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.927 8.798 1.756 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.158 8.714 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU B 30 13.306 10.100 0.714 1.00 0.00 H new ATOM 2055 N SER B 31 13.770 8.123 -2.110 1.00 0.00 N ATOM 2056 CA SER B 31 14.996 7.657 -2.741 1.00 0.00 C ATOM 2057 C SER B 31 15.182 6.168 -2.482 1.00 0.00 C ATOM 2058 O SER B 31 15.076 5.709 -1.344 1.00 0.00 O ATOM 2059 CB SER B 31 16.209 8.437 -2.228 1.00 0.00 C ATOM 2060 OG SER B 31 17.377 8.100 -2.957 1.00 0.00 O ATOM 0 H SER B 31 13.253 7.398 -1.613 1.00 0.00 H new ATOM 0 HA SER B 31 14.913 7.826 -3.815 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.020 9.507 -2.313 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.362 8.223 -1.170 1.00 0.00 H new ATOM 0 HG SER B 31 18.137 8.613 -2.612 1.00 0.00 H new ATOM 2066 N LYS B 32 15.446 5.416 -3.542 1.00 0.00 N ATOM 2067 CA LYS B 32 15.630 3.974 -3.430 1.00 0.00 C ATOM 2068 C LYS B 32 16.624 3.636 -2.319 1.00 0.00 C ATOM 2069 O LYS B 32 16.466 2.641 -1.612 1.00 0.00 O ATOM 2070 CB LYS B 32 16.118 3.405 -4.765 1.00 0.00 C ATOM 2071 CG LYS B 32 16.406 1.913 -4.731 1.00 0.00 C ATOM 2072 CD LYS B 32 16.957 1.424 -6.061 1.00 0.00 C ATOM 2073 CE LYS B 32 18.347 1.978 -6.330 1.00 0.00 C ATOM 2074 NZ LYS B 32 18.488 2.467 -7.730 1.00 0.00 N ATOM 0 H LYS B 32 15.538 5.780 -4.490 1.00 0.00 H new ATOM 0 HA LYS B 32 14.670 3.523 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS B 32 15.366 3.602 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS B 32 17.023 3.933 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS B 32 17.121 1.697 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS B 32 15.492 1.370 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS B 32 16.993 0.335 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS B 32 16.284 1.722 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS B 32 18.553 2.794 -5.638 1.00 0.00 H new ATOM 0 HE3 LYS B 32 19.090 1.203 -6.139 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 19.449 2.837 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 18.317 1.682 -8.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 17.796 3.224 -7.905 1.00 0.00 H new ATOM 2088 N THR B 33 17.644 4.476 -2.171 1.00 0.00 N ATOM 2089 CA THR B 33 18.661 4.277 -1.150 1.00 0.00 C ATOM 2090 C THR B 33 18.115 4.623 0.234 1.00 0.00 C ATOM 2091 O THR B 33 18.318 3.882 1.190 1.00 0.00 O ATOM 2092 CB THR B 33 19.898 5.123 -1.479 1.00 0.00 C ATOM 2093 OG1 THR B 33 20.815 4.381 -2.262 1.00 0.00 O ATOM 2094 CG2 THR B 33 20.643 5.625 -0.260 1.00 0.00 C ATOM 0 H THR B 33 17.786 5.304 -2.749 1.00 0.00 H new ATOM 0 HA THR B 33 18.949 3.226 -1.138 1.00 0.00 H new ATOM 0 HB THR B 33 19.511 5.986 -2.020 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.597 4.936 -2.464 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.504 6.214 -0.577 1.00 0.00 H new ATOM 0 HG22 THR B 33 19.980 6.246 0.342 1.00 0.00 H new ATOM 0 HG23 THR B 33 20.983 4.776 0.334 1.00 0.00 H new ATOM 2102 N GLU B 34 17.417 5.749 0.345 1.00 0.00 N ATOM 2103 CA GLU B 34 16.854 6.153 1.629 1.00 0.00 C ATOM 2104 C GLU B 34 15.962 5.052 2.186 1.00 0.00 C ATOM 2105 O GLU B 34 15.830 4.898 3.400 1.00 0.00 O ATOM 2106 CB GLU B 34 16.071 7.457 1.494 1.00 0.00 C ATOM 2107 CG GLU B 34 16.865 8.673 1.935 1.00 0.00 C ATOM 2108 CD GLU B 34 16.218 9.979 1.517 1.00 0.00 C ATOM 2109 OE1 GLU B 34 15.947 10.147 0.309 1.00 0.00 O ATOM 2110 OE2 GLU B 34 15.982 10.833 2.397 1.00 0.00 O ATOM 0 H GLU B 34 17.229 6.390 -0.426 1.00 0.00 H new ATOM 0 HA GLU B 34 17.676 6.322 2.324 1.00 0.00 H new ATOM 0 HB2 GLU B 34 15.766 7.586 0.455 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.159 7.390 2.088 1.00 0.00 H new ATOM 0 HG2 GLU B 34 16.973 8.657 3.019 1.00 0.00 H new ATOM 0 HG3 GLU B 34 17.869 8.619 1.514 1.00 0.00 H new ATOM 2117 N PHE B 35 15.369 4.274 1.288 1.00 0.00 N ATOM 2118 CA PHE B 35 14.510 3.169 1.687 1.00 0.00 C ATOM 2119 C PHE B 35 15.353 2.046 2.285 1.00 0.00 C ATOM 2120 O PHE B 35 14.878 1.272 3.115 1.00 0.00 O ATOM 2121 CB PHE B 35 13.713 2.650 0.490 1.00 0.00 C ATOM 2122 CG PHE B 35 12.304 2.259 0.834 1.00 0.00 C ATOM 2123 CD1 PHE B 35 11.353 3.226 1.119 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.931 0.925 0.874 1.00 0.00 C ATOM 2125 CE1 PHE B 35 10.056 2.869 1.437 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.636 0.562 1.192 1.00 0.00 C ATOM 2127 CZ PHE B 35 9.697 1.536 1.474 1.00 0.00 C ATOM 0 H PHE B 35 15.468 4.389 0.279 1.00 0.00 H new ATOM 0 HA PHE B 35 13.807 3.526 2.440 1.00 0.00 H new ATOM 0 HB2 PHE B 35 13.690 3.419 -0.282 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.228 1.788 0.067 1.00 0.00 H new ATOM 0 HD1 PHE B 35 11.628 4.270 1.092 1.00 0.00 H new ATOM 0 HD2 PHE B 35 12.661 0.160 0.654 1.00 0.00 H new ATOM 0 HE1 PHE B 35 9.324 3.632 1.656 1.00 0.00 H new ATOM 0 HE2 PHE B 35 10.358 -0.481 1.220 1.00 0.00 H new ATOM 0 HZ PHE B 35 8.684 1.255 1.723 1.00 0.00 H new ATOM 2137 N LEU B 36 16.614 1.974 1.858 1.00 0.00 N ATOM 2138 CA LEU B 36 17.537 0.959 2.352 1.00 0.00 C ATOM 2139 C LEU B 36 17.627 1.003 3.856 1.00 0.00 C ATOM 2140 O LEU B 36 17.365 0.019 4.547 1.00 0.00 O ATOM 2141 CB LEU B 36 18.934 1.205 1.794 1.00 0.00 C ATOM 2142 CG LEU B 36 19.289 0.376 0.584 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.325 -1.094 0.965 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.296 0.640 -0.534 1.00 0.00 C ATOM 0 H LEU B 36 17.018 2.609 1.170 1.00 0.00 H new ATOM 0 HA LEU B 36 17.161 -0.012 2.031 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.025 2.259 1.534 1.00 0.00 H new ATOM 0 HB3 LEU B 36 19.663 1.007 2.579 1.00 0.00 H new ATOM 0 HG LEU B 36 20.279 0.656 0.222 1.00 0.00 H new ATOM 0 HD11 LEU B 36 19.582 -1.691 0.090 1.00 0.00 H new ATOM 0 HD12 LEU B 36 20.073 -1.250 1.742 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.346 -1.398 1.337 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.559 0.038 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.293 0.376 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.322 1.696 -0.802 1.00 0.00 H new ATOM 2156 N SER B 37 18.029 2.160 4.348 1.00 0.00 N ATOM 2157 CA SER B 37 18.192 2.357 5.773 1.00 0.00 C ATOM 2158 C SER B 37 16.905 2.024 6.518 1.00 0.00 C ATOM 2159 O SER B 37 16.927 1.340 7.541 1.00 0.00 O ATOM 2160 CB SER B 37 18.621 3.794 6.071 1.00 0.00 C ATOM 2161 OG SER B 37 19.672 4.203 5.212 1.00 0.00 O ATOM 0 H SER B 37 18.249 2.978 3.779 1.00 0.00 H new ATOM 0 HA SER B 37 18.973 1.681 6.120 1.00 0.00 H new ATOM 0 HB2 SER B 37 17.769 4.463 5.952 1.00 0.00 H new ATOM 0 HB3 SER B 37 18.945 3.872 7.109 1.00 0.00 H new ATOM 0 HG SER B 37 19.926 5.126 5.422 1.00 0.00 H new ATOM 2167 N PHE B 38 15.779 2.501 5.990 1.00 0.00 N ATOM 2168 CA PHE B 38 14.481 2.240 6.602 1.00 0.00 C ATOM 2169 C PHE B 38 14.232 0.740 6.704 1.00 0.00 C ATOM 2170 O PHE B 38 13.501 0.278 7.581 1.00 0.00 O ATOM 2171 CB PHE B 38 13.363 2.896 5.788 1.00 0.00 C ATOM 2172 CG PHE B 38 12.007 2.756 6.418 1.00 0.00 C ATOM 2173 CD1 PHE B 38 11.237 1.627 6.191 1.00 0.00 C ATOM 2174 CD2 PHE B 38 11.503 3.752 7.239 1.00 0.00 C ATOM 2175 CE1 PHE B 38 9.990 1.493 6.770 1.00 0.00 C ATOM 2176 CE2 PHE B 38 10.257 3.624 7.822 1.00 0.00 C ATOM 2177 CZ PHE B 38 9.499 2.494 7.587 1.00 0.00 C ATOM 0 H PHE B 38 15.741 3.068 5.143 1.00 0.00 H new ATOM 0 HA PHE B 38 14.485 2.667 7.605 1.00 0.00 H new ATOM 0 HB2 PHE B 38 13.589 3.955 5.661 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.341 2.453 4.792 1.00 0.00 H new ATOM 0 HD1 PHE B 38 11.616 0.842 5.554 1.00 0.00 H new ATOM 0 HD2 PHE B 38 12.091 4.639 7.425 1.00 0.00 H new ATOM 0 HE1 PHE B 38 9.400 0.608 6.585 1.00 0.00 H new ATOM 0 HE2 PHE B 38 9.876 4.407 8.461 1.00 0.00 H new ATOM 0 HZ PHE B 38 8.524 2.392 8.041 1.00 0.00 H new ATOM 2187 N MET B 39 14.849 -0.014 5.801 1.00 0.00 N ATOM 2188 CA MET B 39 14.706 -1.462 5.782 1.00 0.00 C ATOM 2189 C MET B 39 15.497 -2.098 6.919 1.00 0.00 C ATOM 2190 O MET B 39 14.932 -2.706 7.821 1.00 0.00 O ATOM 2191 CB MET B 39 15.187 -2.017 4.438 1.00 0.00 C ATOM 2192 CG MET B 39 14.237 -3.027 3.816 1.00 0.00 C ATOM 2193 SD MET B 39 13.110 -2.278 2.626 1.00 0.00 S ATOM 2194 CE MET B 39 11.577 -2.323 3.548 1.00 0.00 C ATOM 0 H MET B 39 15.456 0.358 5.070 1.00 0.00 H new ATOM 0 HA MET B 39 13.652 -1.706 5.916 1.00 0.00 H new ATOM 0 HB2 MET B 39 15.328 -1.189 3.743 1.00 0.00 H new ATOM 0 HB3 MET B 39 16.161 -2.486 4.577 1.00 0.00 H new ATOM 0 HG2 MET B 39 14.815 -3.807 3.321 1.00 0.00 H new ATOM 0 HG3 MET B 39 13.659 -3.510 4.604 1.00 0.00 H new ATOM 0 HE1 MET B 39 10.753 -2.026 2.899 1.00 0.00 H new ATOM 0 HE2 MET B 39 11.403 -3.334 3.916 1.00 0.00 H new ATOM 0 HE3 MET B 39 11.640 -1.636 4.392 1.00 0.00 H new ATOM 2204 N ASN B 40 16.813 -1.952 6.864 1.00 0.00 N ATOM 2205 CA ASN B 40 17.694 -2.516 7.881 1.00 0.00 C ATOM 2206 C ASN B 40 17.335 -2.027 9.284 1.00 0.00 C ATOM 2207 O ASN B 40 17.727 -2.639 10.278 1.00 0.00 O ATOM 2208 CB ASN B 40 19.149 -2.164 7.564 1.00 0.00 C ATOM 2209 CG ASN B 40 19.620 -2.773 6.256 1.00 0.00 C ATOM 2210 OD1 ASN B 40 19.939 -3.960 6.192 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.666 -1.962 5.205 1.00 0.00 N ATOM 0 H ASN B 40 17.298 -1.446 6.123 1.00 0.00 H new ATOM 0 HA ASN B 40 17.564 -3.598 7.865 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.256 -1.080 7.516 1.00 0.00 H new ATOM 0 HB3 ASN B 40 19.789 -2.512 8.375 1.00 0.00 H new ATOM 0 HD21 ASN B 40 19.975 -2.317 4.300 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.392 -0.984 5.303 1.00 0.00 H new ATOM 2218 N THR B 41 16.608 -0.914 9.370 1.00 0.00 N ATOM 2219 CA THR B 41 16.230 -0.354 10.666 1.00 0.00 C ATOM 2220 C THR B 41 14.814 -0.736 11.081 1.00 0.00 C ATOM 2221 O THR B 41 14.494 -0.742 12.269 1.00 0.00 O ATOM 2222 CB THR B 41 16.346 1.172 10.636 1.00 0.00 C ATOM 2223 OG1 THR B 41 16.240 1.710 11.942 1.00 0.00 O ATOM 2224 CG2 THR B 41 15.298 1.847 9.777 1.00 0.00 C ATOM 0 H THR B 41 16.271 -0.386 8.565 1.00 0.00 H new ATOM 0 HA THR B 41 16.918 -0.774 11.400 1.00 0.00 H new ATOM 0 HB THR B 41 17.325 1.371 10.201 1.00 0.00 H new ATOM 0 HG1 THR B 41 16.318 2.686 11.901 1.00 0.00 H new ATOM 0 HG21 THR B 41 15.445 2.927 9.805 1.00 0.00 H new ATOM 0 HG22 THR B 41 15.388 1.495 8.749 1.00 0.00 H new ATOM 0 HG23 THR B 41 14.305 1.605 10.157 1.00 0.00 H new ATOM 2232 N GLU B 42 13.951 -1.010 10.109 1.00 0.00 N ATOM 2233 CA GLU B 42 12.562 -1.334 10.415 1.00 0.00 C ATOM 2234 C GLU B 42 12.091 -2.612 9.719 1.00 0.00 C ATOM 2235 O GLU B 42 11.390 -3.428 10.317 1.00 0.00 O ATOM 2236 CB GLU B 42 11.669 -0.153 10.023 1.00 0.00 C ATOM 2237 CG GLU B 42 12.335 1.208 10.220 1.00 0.00 C ATOM 2238 CD GLU B 42 11.474 2.167 11.019 1.00 0.00 C ATOM 2239 OE1 GLU B 42 10.557 2.777 10.428 1.00 0.00 O ATOM 2240 OE2 GLU B 42 11.717 2.310 12.236 1.00 0.00 O ATOM 0 H GLU B 42 14.183 -1.015 9.116 1.00 0.00 H new ATOM 0 HA GLU B 42 12.491 -1.518 11.487 1.00 0.00 H new ATOM 0 HB2 GLU B 42 11.379 -0.259 8.978 1.00 0.00 H new ATOM 0 HB3 GLU B 42 10.753 -0.189 10.613 1.00 0.00 H new ATOM 0 HG2 GLU B 42 13.289 1.071 10.729 1.00 0.00 H new ATOM 0 HG3 GLU B 42 12.553 1.646 9.246 1.00 0.00 H new ATOM 2247 N LEU B 43 12.479 -2.785 8.462 1.00 0.00 N ATOM 2248 CA LEU B 43 12.093 -3.967 7.698 1.00 0.00 C ATOM 2249 C LEU B 43 13.327 -4.789 7.354 1.00 0.00 C ATOM 2250 O LEU B 43 13.530 -5.186 6.206 1.00 0.00 O ATOM 2251 CB LEU B 43 11.355 -3.559 6.421 1.00 0.00 C ATOM 2252 CG LEU B 43 9.846 -3.361 6.582 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.219 -2.937 5.264 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.195 -4.635 7.100 1.00 0.00 C ATOM 0 H LEU B 43 13.061 -2.123 7.949 1.00 0.00 H new ATOM 0 HA LEU B 43 11.422 -4.574 8.306 1.00 0.00 H new ATOM 0 HB2 LEU B 43 11.790 -2.632 6.048 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.527 -4.321 5.660 1.00 0.00 H new ATOM 0 HG LEU B 43 9.678 -2.568 7.311 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.146 -2.801 5.399 1.00 0.00 H new ATOM 0 HD12 LEU B 43 9.665 -1.999 4.934 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.396 -3.707 4.513 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.122 -4.477 7.209 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.373 -5.447 6.395 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.623 -4.895 8.068 1.00 0.00 H new ATOM 2266 N ALA B 44 14.155 -5.023 8.363 1.00 0.00 N ATOM 2267 CA ALA B 44 15.386 -5.777 8.190 1.00 0.00 C ATOM 2268 C ALA B 44 15.137 -7.275 8.284 1.00 0.00 C ATOM 2269 O ALA B 44 15.762 -8.062 7.577 1.00 0.00 O ATOM 2270 CB ALA B 44 16.407 -5.335 9.224 1.00 0.00 C ATOM 0 H ALA B 44 13.993 -4.698 9.316 1.00 0.00 H new ATOM 0 HA ALA B 44 15.777 -5.575 7.193 1.00 0.00 H new ATOM 0 HB1 ALA B 44 17.328 -5.902 9.091 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.614 -4.272 9.100 1.00 0.00 H new ATOM 0 HB3 ALA B 44 16.012 -5.513 10.224 1.00 0.00 H new ATOM 2276 N ALA B 45 14.209 -7.667 9.151 1.00 0.00 N ATOM 2277 CA ALA B 45 13.872 -9.075 9.321 1.00 0.00 C ATOM 2278 C ALA B 45 13.519 -9.719 7.982 1.00 0.00 C ATOM 2279 O ALA B 45 13.611 -10.936 7.821 1.00 0.00 O ATOM 2280 CB ALA B 45 12.720 -9.225 10.305 1.00 0.00 C ATOM 0 H ALA B 45 13.678 -7.031 9.746 1.00 0.00 H new ATOM 0 HA ALA B 45 14.745 -9.589 9.722 1.00 0.00 H new ATOM 0 HB1 ALA B 45 12.478 -10.281 10.423 1.00 0.00 H new ATOM 0 HB2 ALA B 45 13.009 -8.809 11.270 1.00 0.00 H new ATOM 0 HB3 ALA B 45 11.847 -8.693 9.927 1.00 0.00 H new ATOM 2286 N PHE B 46 13.117 -8.888 7.023 1.00 0.00 N ATOM 2287 CA PHE B 46 12.750 -9.364 5.694 1.00 0.00 C ATOM 2288 C PHE B 46 13.971 -9.406 4.777 1.00 0.00 C ATOM 2289 O PHE B 46 14.038 -10.217 3.854 1.00 0.00 O ATOM 2290 CB PHE B 46 11.676 -8.453 5.091 1.00 0.00 C ATOM 2291 CG PHE B 46 10.360 -8.499 5.819 1.00 0.00 C ATOM 2292 CD1 PHE B 46 10.284 -8.210 7.173 1.00 0.00 C ATOM 2293 CD2 PHE B 46 9.196 -8.832 5.145 1.00 0.00 C ATOM 2294 CE1 PHE B 46 9.075 -8.253 7.839 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.984 -8.877 5.806 1.00 0.00 C ATOM 2296 CZ PHE B 46 7.922 -8.588 7.155 1.00 0.00 C ATOM 0 H PHE B 46 13.037 -7.878 7.144 1.00 0.00 H new ATOM 0 HA PHE B 46 12.354 -10.375 5.788 1.00 0.00 H new ATOM 0 HB2 PHE B 46 12.043 -7.427 5.089 1.00 0.00 H new ATOM 0 HB3 PHE B 46 11.515 -8.736 4.051 1.00 0.00 H new ATOM 0 HD1 PHE B 46 11.182 -7.948 7.714 1.00 0.00 H new ATOM 0 HD2 PHE B 46 9.237 -9.059 4.090 1.00 0.00 H new ATOM 0 HE1 PHE B 46 9.031 -8.025 8.894 1.00 0.00 H new ATOM 0 HE2 PHE B 46 7.085 -9.138 5.268 1.00 0.00 H new ATOM 0 HZ PHE B 46 6.975 -8.624 7.674 1.00 0.00 H new ATOM 2306 N THR B 47 14.932 -8.524 5.039 1.00 0.00 N ATOM 2307 CA THR B 47 16.151 -8.451 4.240 1.00 0.00 C ATOM 2308 C THR B 47 17.388 -8.407 5.137 1.00 0.00 C ATOM 2309 O THR B 47 18.278 -7.579 4.944 1.00 0.00 O ATOM 2310 CB THR B 47 16.113 -7.214 3.341 1.00 0.00 C ATOM 2311 OG1 THR B 47 17.371 -6.999 2.726 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.742 -5.950 4.086 1.00 0.00 C ATOM 0 H THR B 47 14.889 -7.848 5.801 1.00 0.00 H new ATOM 0 HA THR B 47 16.209 -9.345 3.619 1.00 0.00 H new ATOM 0 HB THR B 47 15.344 -7.419 2.597 1.00 0.00 H new ATOM 0 HG1 THR B 47 18.054 -6.868 3.416 1.00 0.00 H new ATOM 0 HG21 THR B 47 15.732 -5.109 3.393 1.00 0.00 H new ATOM 0 HG22 THR B 47 14.753 -6.066 4.530 1.00 0.00 H new ATOM 0 HG23 THR B 47 16.473 -5.764 4.873 1.00 0.00 H new ATOM 2428 N VAL B 55 11.736 -10.910 -2.389 1.00 0.00 N ATOM 2429 CA VAL B 55 10.908 -9.866 -1.788 1.00 0.00 C ATOM 2430 C VAL B 55 11.636 -8.522 -1.796 1.00 0.00 C ATOM 2431 O VAL B 55 11.110 -7.518 -2.276 1.00 0.00 O ATOM 2432 CB VAL B 55 10.462 -10.238 -0.337 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.818 -11.676 -0.002 1.00 0.00 C ATOM 2434 CG2 VAL B 55 11.048 -9.296 0.713 1.00 0.00 C ATOM 0 HA VAL B 55 10.008 -9.779 -2.397 1.00 0.00 H new ATOM 0 HB VAL B 55 9.378 -10.128 -0.312 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.495 -11.904 1.014 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.318 -12.347 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL B 55 11.897 -11.811 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL B 55 10.707 -9.598 1.703 1.00 0.00 H new ATOM 0 HG22 VAL B 55 12.136 -9.340 0.674 1.00 0.00 H new ATOM 0 HG23 VAL B 55 10.719 -8.277 0.511 1.00 0.00 H new ATOM 2444 N LEU B 56 12.847 -8.518 -1.251 1.00 0.00 N ATOM 2445 CA LEU B 56 13.663 -7.335 -1.168 1.00 0.00 C ATOM 2446 C LEU B 56 13.961 -6.756 -2.547 1.00 0.00 C ATOM 2447 O LEU B 56 13.769 -5.566 -2.790 1.00 0.00 O ATOM 2448 CB LEU B 56 14.956 -7.728 -0.457 1.00 0.00 C ATOM 2449 CG LEU B 56 16.119 -6.763 -0.593 1.00 0.00 C ATOM 2450 CD1 LEU B 56 16.819 -6.926 -1.937 1.00 0.00 C ATOM 2451 CD2 LEU B 56 15.644 -5.340 -0.409 1.00 0.00 C ATOM 0 H LEU B 56 13.285 -9.349 -0.853 1.00 0.00 H new ATOM 0 HA LEU B 56 13.135 -6.557 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.738 -7.854 0.604 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.272 -8.700 -0.835 1.00 0.00 H new ATOM 0 HG LEU B 56 16.843 -6.994 0.188 1.00 0.00 H new ATOM 0 HD11 LEU B 56 17.647 -6.221 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU B 56 17.200 -7.943 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU B 56 16.111 -6.731 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU B 56 16.489 -4.659 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU B 56 14.897 -5.105 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU B 56 15.204 -5.229 0.582 1.00 0.00 H new ATOM 2463 N ASP B 57 14.444 -7.606 -3.437 1.00 0.00 N ATOM 2464 CA ASP B 57 14.790 -7.190 -4.787 1.00 0.00 C ATOM 2465 C ASP B 57 13.551 -6.807 -5.591 1.00 0.00 C ATOM 2466 O ASP B 57 13.634 -6.013 -6.526 1.00 0.00 O ATOM 2467 CB ASP B 57 15.566 -8.299 -5.487 1.00 0.00 C ATOM 2468 CG ASP B 57 15.985 -7.920 -6.894 1.00 0.00 C ATOM 2469 OD1 ASP B 57 16.851 -7.031 -7.036 1.00 0.00 O ATOM 2470 OD2 ASP B 57 15.448 -8.513 -7.853 1.00 0.00 O ATOM 0 H ASP B 57 14.607 -8.595 -3.248 1.00 0.00 H new ATOM 0 HA ASP B 57 15.419 -6.302 -4.719 1.00 0.00 H new ATOM 0 HB2 ASP B 57 16.452 -8.542 -4.901 1.00 0.00 H new ATOM 0 HB3 ASP B 57 14.952 -9.199 -5.525 1.00 0.00 H new ATOM 2475 N ARG B 58 12.404 -7.373 -5.227 1.00 0.00 N ATOM 2476 CA ARG B 58 11.159 -7.079 -5.930 1.00 0.00 C ATOM 2477 C ARG B 58 10.862 -5.584 -5.893 1.00 0.00 C ATOM 2478 O ARG B 58 10.301 -5.028 -6.838 1.00 0.00 O ATOM 2479 CB ARG B 58 9.995 -7.848 -5.301 1.00 0.00 C ATOM 2480 CG ARG B 58 9.245 -8.735 -6.282 1.00 0.00 C ATOM 2481 CD ARG B 58 7.752 -8.742 -5.994 1.00 0.00 C ATOM 2482 NE ARG B 58 7.027 -9.671 -6.858 1.00 0.00 N ATOM 2483 CZ ARG B 58 6.633 -9.381 -8.096 1.00 0.00 C ATOM 2484 NH1 ARG B 58 6.900 -8.193 -8.625 1.00 0.00 N ATOM 2485 NH2 ARG B 58 5.971 -10.282 -8.809 1.00 0.00 N ATOM 0 H ARG B 58 12.310 -8.033 -4.455 1.00 0.00 H new ATOM 0 HA ARG B 58 11.275 -7.392 -6.968 1.00 0.00 H new ATOM 0 HB2 ARG B 58 10.376 -8.464 -4.487 1.00 0.00 H new ATOM 0 HB3 ARG B 58 9.296 -7.136 -4.862 1.00 0.00 H new ATOM 0 HG2 ARG B 58 9.419 -8.384 -7.299 1.00 0.00 H new ATOM 0 HG3 ARG B 58 9.633 -9.752 -6.225 1.00 0.00 H new ATOM 0 HD2 ARG B 58 7.586 -9.014 -4.951 1.00 0.00 H new ATOM 0 HD3 ARG B 58 7.353 -7.737 -6.129 1.00 0.00 H new ATOM 0 HE ARG B 58 6.810 -10.597 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG B 58 7.410 -7.496 -8.082 1.00 0.00 H new ATOM 0 HH12 ARG B 58 6.595 -7.977 -9.574 1.00 0.00 H new ATOM 0 HH21 ARG B 58 5.764 -11.197 -8.409 1.00 0.00 H new ATOM 0 HH22 ARG B 58 5.669 -10.060 -9.758 1.00 0.00 H new ATOM 2498 N MET B 59 11.243 -4.941 -4.797 1.00 0.00 N ATOM 2499 CA MET B 59 11.017 -3.511 -4.640 1.00 0.00 C ATOM 2500 C MET B 59 12.002 -2.717 -5.488 1.00 0.00 C ATOM 2501 O MET B 59 11.610 -1.879 -6.299 1.00 0.00 O ATOM 2502 CB MET B 59 11.134 -3.133 -3.156 1.00 0.00 C ATOM 2503 CG MET B 59 12.503 -2.629 -2.718 1.00 0.00 C ATOM 2504 SD MET B 59 12.504 -1.879 -1.073 1.00 0.00 S ATOM 2505 CE MET B 59 11.179 -2.775 -0.283 1.00 0.00 C ATOM 0 H MET B 59 11.709 -5.386 -4.006 1.00 0.00 H new ATOM 0 HA MET B 59 10.013 -3.266 -4.985 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.394 -2.364 -2.935 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.877 -4.005 -2.555 1.00 0.00 H new ATOM 0 HG2 MET B 59 13.208 -3.460 -2.730 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.861 -1.897 -3.442 1.00 0.00 H new ATOM 0 HE1 MET B 59 10.521 -2.074 0.231 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.610 -3.321 -1.035 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.595 -3.478 0.439 1.00 0.00 H new ATOM 2515 N MET B 60 13.284 -2.993 -5.295 1.00 0.00 N ATOM 2516 CA MET B 60 14.331 -2.306 -6.041 1.00 0.00 C ATOM 2517 C MET B 60 14.193 -2.572 -7.533 1.00 0.00 C ATOM 2518 O MET B 60 14.375 -1.675 -8.355 1.00 0.00 O ATOM 2519 CB MET B 60 15.711 -2.741 -5.553 1.00 0.00 C ATOM 2520 CG MET B 60 16.290 -1.809 -4.505 1.00 0.00 C ATOM 2521 SD MET B 60 16.898 -2.681 -3.055 1.00 0.00 S ATOM 2522 CE MET B 60 15.404 -2.692 -2.080 1.00 0.00 C ATOM 0 H MET B 60 13.625 -3.687 -4.629 1.00 0.00 H new ATOM 0 HA MET B 60 14.222 -1.235 -5.870 1.00 0.00 H new ATOM 0 HB2 MET B 60 15.643 -3.747 -5.139 1.00 0.00 H new ATOM 0 HB3 MET B 60 16.392 -2.791 -6.403 1.00 0.00 H new ATOM 0 HG2 MET B 60 17.105 -1.235 -4.946 1.00 0.00 H new ATOM 0 HG3 MET B 60 15.526 -1.094 -4.199 1.00 0.00 H new ATOM 0 HE1 MET B 60 15.659 -2.611 -1.023 1.00 0.00 H new ATOM 0 HE2 MET B 60 14.776 -1.849 -2.367 1.00 0.00 H new ATOM 0 HE3 MET B 60 14.864 -3.623 -2.253 1.00 0.00 H new ATOM 2670 N GLN B 70 13.978 9.832 -8.984 1.00 0.00 N ATOM 2671 CA GLN B 70 13.565 9.855 -7.586 1.00 0.00 C ATOM 2672 C GLN B 70 12.513 8.789 -7.309 1.00 0.00 C ATOM 2673 O GLN B 70 11.974 8.182 -8.234 1.00 0.00 O ATOM 2674 CB GLN B 70 13.016 11.236 -7.219 1.00 0.00 C ATOM 2675 CG GLN B 70 14.037 12.127 -6.530 1.00 0.00 C ATOM 2676 CD GLN B 70 14.323 11.681 -5.113 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.184 10.678 -4.971 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 13.781 12.234 -4.156 1.00 0.00 N flip ATOM 0 HA GLN B 70 14.440 9.642 -6.972 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.664 11.731 -8.124 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.152 11.114 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.964 12.125 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.671 13.154 -6.519 1.00 0.00 H new ATOM 0 HE21 GLN B 70 13.126 13.000 -4.313 1.00 0.00 H new ATOM 0 HE22 GLN B 70 13.987 11.926 -3.206 1.00 0.00 H new ATOM 2687 N LEU B 71 12.221 8.569 -6.030 1.00 0.00 N ATOM 2688 CA LEU B 71 11.229 7.583 -5.641 1.00 0.00 C ATOM 2689 C LEU B 71 9.843 8.033 -6.134 1.00 0.00 C ATOM 2690 O LEU B 71 9.727 8.444 -7.286 1.00 0.00 O ATOM 2691 CB LEU B 71 11.288 7.361 -4.118 1.00 0.00 C ATOM 2692 CG LEU B 71 11.911 6.032 -3.646 1.00 0.00 C ATOM 2693 CD1 LEU B 71 10.828 5.024 -3.293 1.00 0.00 C ATOM 2694 CD2 LEU B 71 12.860 5.453 -4.689 1.00 0.00 C ATOM 0 H LEU B 71 12.658 9.061 -5.251 1.00 0.00 H new ATOM 0 HA LEU B 71 11.438 6.620 -6.107 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.853 8.181 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.274 7.423 -3.724 1.00 0.00 H new ATOM 0 HG LEU B 71 12.494 6.245 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.290 4.094 -2.963 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.205 5.424 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.211 4.831 -4.170 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.279 4.517 -4.320 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.314 5.267 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.666 6.161 -4.880 1.00 0.00 H new ATOM 2706 N ASP B 72 8.802 7.974 -5.288 1.00 0.00 N ATOM 2707 CA ASP B 72 7.448 8.397 -5.698 1.00 0.00 C ATOM 2708 C ASP B 72 6.386 7.804 -4.778 1.00 0.00 C ATOM 2709 O ASP B 72 6.659 6.880 -4.012 1.00 0.00 O ATOM 2710 CB ASP B 72 7.139 7.987 -7.146 1.00 0.00 C ATOM 2711 CG ASP B 72 5.847 8.592 -7.660 1.00 0.00 C ATOM 2712 OD1 ASP B 72 5.876 9.755 -8.114 1.00 0.00 O ATOM 2713 OD2 ASP B 72 4.807 7.901 -7.611 1.00 0.00 O ATOM 0 H ASP B 72 8.867 7.642 -4.326 1.00 0.00 H new ATOM 0 HA ASP B 72 7.426 9.484 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.962 8.295 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP B 72 7.077 6.900 -7.207 1.00 0.00 H new ATOM 2718 N PHE B 73 5.172 8.348 -4.864 1.00 0.00 N ATOM 2719 CA PHE B 73 4.051 7.897 -4.042 1.00 0.00 C ATOM 2720 C PHE B 73 3.928 6.372 -4.014 1.00 0.00 C ATOM 2721 O PHE B 73 3.942 5.767 -2.941 1.00 0.00 O ATOM 2722 CB PHE B 73 2.748 8.548 -4.528 1.00 0.00 C ATOM 2723 CG PHE B 73 1.953 7.717 -5.497 1.00 0.00 C ATOM 2724 CD1 PHE B 73 1.091 6.732 -5.040 1.00 0.00 C ATOM 2725 CD2 PHE B 73 2.069 7.920 -6.863 1.00 0.00 C ATOM 2726 CE1 PHE B 73 0.360 5.966 -5.928 1.00 0.00 C ATOM 2727 CE2 PHE B 73 1.341 7.157 -7.755 1.00 0.00 C ATOM 2728 CZ PHE B 73 0.485 6.179 -7.288 1.00 0.00 C ATOM 0 H PHE B 73 4.940 9.109 -5.502 1.00 0.00 H new ATOM 0 HA PHE B 73 4.244 8.212 -3.016 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.123 8.769 -3.662 1.00 0.00 H new ATOM 0 HB3 PHE B 73 2.988 9.501 -4.999 1.00 0.00 H new ATOM 0 HD1 PHE B 73 0.990 6.561 -3.978 1.00 0.00 H new ATOM 0 HD2 PHE B 73 2.736 8.684 -7.234 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -0.308 5.202 -5.560 1.00 0.00 H new ATOM 0 HE2 PHE B 73 1.441 7.325 -8.817 1.00 0.00 H new ATOM 0 HZ PHE B 73 -0.086 5.582 -7.984 1.00 0.00 H new ATOM 2738 N GLN B 74 3.809 5.746 -5.182 1.00 0.00 N ATOM 2739 CA GLN B 74 3.686 4.298 -5.232 1.00 0.00 C ATOM 2740 C GLN B 74 5.045 3.643 -5.061 1.00 0.00 C ATOM 2741 O GLN B 74 5.147 2.572 -4.476 1.00 0.00 O ATOM 2742 CB GLN B 74 3.037 3.828 -6.535 1.00 0.00 C ATOM 2743 CG GLN B 74 2.710 2.335 -6.554 1.00 0.00 C ATOM 2744 CD GLN B 74 2.192 1.818 -5.218 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.594 0.601 -4.849 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 1.437 2.503 -4.527 1.00 0.00 N flip ATOM 0 H GLN B 74 3.795 6.211 -6.090 1.00 0.00 H new ATOM 0 HA GLN B 74 3.037 3.998 -4.409 1.00 0.00 H new ATOM 0 HB2 GLN B 74 2.120 4.394 -6.699 1.00 0.00 H new ATOM 0 HB3 GLN B 74 3.705 4.055 -7.366 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.964 2.143 -7.325 1.00 0.00 H new ATOM 0 HG3 GLN B 74 3.605 1.777 -6.830 1.00 0.00 H new ATOM 0 HE21 GLN B 74 1.154 3.429 -4.846 1.00 0.00 H new ATOM 0 HE22 GLN B 74 1.095 2.144 -3.636 1.00 0.00 H new ATOM 2755 N GLU B 75 6.093 4.296 -5.561 1.00 0.00 N ATOM 2756 CA GLU B 75 7.440 3.763 -5.439 1.00 0.00 C ATOM 2757 C GLU B 75 7.680 3.250 -4.024 1.00 0.00 C ATOM 2758 O GLU B 75 8.411 2.282 -3.819 1.00 0.00 O ATOM 2759 CB GLU B 75 8.472 4.833 -5.801 1.00 0.00 C ATOM 2760 CG GLU B 75 9.380 4.417 -6.941 1.00 0.00 C ATOM 2761 CD GLU B 75 9.780 5.572 -7.839 1.00 0.00 C ATOM 2762 OE1 GLU B 75 8.878 6.290 -8.318 1.00 0.00 O ATOM 2763 OE2 GLU B 75 10.994 5.753 -8.069 1.00 0.00 O ATOM 0 H GLU B 75 6.032 5.189 -6.051 1.00 0.00 H new ATOM 0 HA GLU B 75 7.548 2.930 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.954 5.753 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU B 75 9.079 5.057 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU B 75 10.279 3.956 -6.531 1.00 0.00 H new ATOM 0 HG3 GLU B 75 8.876 3.658 -7.539 1.00 0.00 H new ATOM 2770 N PHE B 76 7.040 3.895 -3.052 1.00 0.00 N ATOM 2771 CA PHE B 76 7.169 3.481 -1.665 1.00 0.00 C ATOM 2772 C PHE B 76 6.260 2.292 -1.368 1.00 0.00 C ATOM 2773 O PHE B 76 6.715 1.256 -0.883 1.00 0.00 O ATOM 2774 CB PHE B 76 6.820 4.616 -0.703 1.00 0.00 C ATOM 2775 CG PHE B 76 7.095 6.005 -1.210 1.00 0.00 C ATOM 2776 CD1 PHE B 76 8.385 6.409 -1.502 1.00 0.00 C ATOM 2777 CD2 PHE B 76 6.063 6.919 -1.357 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.642 7.696 -1.935 1.00 0.00 C ATOM 2779 CE2 PHE B 76 6.314 8.207 -1.792 1.00 0.00 C ATOM 2780 CZ PHE B 76 7.605 8.595 -2.080 1.00 0.00 C ATOM 0 H PHE B 76 6.432 4.700 -3.201 1.00 0.00 H new ATOM 0 HA PHE B 76 8.211 3.198 -1.516 1.00 0.00 H new ATOM 0 HB2 PHE B 76 5.762 4.543 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE B 76 7.378 4.469 0.222 1.00 0.00 H new ATOM 0 HD1 PHE B 76 9.201 5.711 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE B 76 5.050 6.621 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE B 76 9.654 7.998 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE B 76 5.500 8.908 -1.906 1.00 0.00 H new ATOM 0 HZ PHE B 76 7.805 9.601 -2.419 1.00 0.00 H new ATOM 2790 N LEU B 77 4.969 2.453 -1.661 1.00 0.00 N ATOM 2791 CA LEU B 77 3.995 1.396 -1.420 1.00 0.00 C ATOM 2792 C LEU B 77 4.330 0.157 -2.241 1.00 0.00 C ATOM 2793 O LEU B 77 4.115 -0.969 -1.797 1.00 0.00 O ATOM 2794 CB LEU B 77 2.579 1.890 -1.732 1.00 0.00 C ATOM 2795 CG LEU B 77 1.806 2.411 -0.518 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.561 3.174 -0.949 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.438 1.263 0.406 1.00 0.00 C ATOM 0 H LEU B 77 4.577 3.304 -2.064 1.00 0.00 H new ATOM 0 HA LEU B 77 4.037 1.124 -0.365 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.641 2.684 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU B 77 2.014 1.074 -2.183 1.00 0.00 H new ATOM 0 HG LEU B 77 2.450 3.102 0.025 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.031 3.533 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.851 4.023 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.091 2.513 -1.520 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.889 1.649 1.265 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.815 0.548 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU B 77 2.346 0.767 0.749 1.00 0.00 H new ATOM 2809 N ASN B 78 4.877 0.371 -3.431 1.00 0.00 N ATOM 2810 CA ASN B 78 5.267 -0.731 -4.299 1.00 0.00 C ATOM 2811 C ASN B 78 6.500 -1.411 -3.721 1.00 0.00 C ATOM 2812 O ASN B 78 6.647 -2.630 -3.798 1.00 0.00 O ATOM 2813 CB ASN B 78 5.543 -0.224 -5.726 1.00 0.00 C ATOM 2814 CG ASN B 78 6.783 -0.838 -6.354 1.00 0.00 C ATOM 2815 OD1 ASN B 78 7.881 -0.093 -6.340 1.00 0.00 O flip ATOM 2816 ND2 ASN B 78 6.752 -1.966 -6.846 1.00 0.00 N flip ATOM 0 H ASN B 78 5.060 1.297 -3.816 1.00 0.00 H new ATOM 0 HA ASN B 78 4.452 -1.453 -4.354 1.00 0.00 H new ATOM 0 HB2 ASN B 78 4.680 -0.443 -6.355 1.00 0.00 H new ATOM 0 HB3 ASN B 78 5.655 0.860 -5.703 1.00 0.00 H new ATOM 0 HD21 ASN B 78 5.885 -2.504 -6.835 1.00 0.00 H new ATOM 0 HD22 ASN B 78 7.593 -2.363 -7.265 1.00 0.00 H new ATOM 2823 N LEU B 79 7.387 -0.606 -3.142 1.00 0.00 N ATOM 2824 CA LEU B 79 8.605 -1.125 -2.554 1.00 0.00 C ATOM 2825 C LEU B 79 8.292 -2.009 -1.350 1.00 0.00 C ATOM 2826 O LEU B 79 8.657 -3.183 -1.326 1.00 0.00 O ATOM 2827 CB LEU B 79 9.531 0.030 -2.146 1.00 0.00 C ATOM 2828 CG LEU B 79 10.703 0.324 -3.098 1.00 0.00 C ATOM 2829 CD1 LEU B 79 10.286 0.229 -4.555 1.00 0.00 C ATOM 2830 CD2 LEU B 79 11.271 1.703 -2.817 1.00 0.00 C ATOM 0 H LEU B 79 7.280 0.406 -3.071 1.00 0.00 H new ATOM 0 HA LEU B 79 9.114 -1.736 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.930 0.935 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.937 -0.188 -1.158 1.00 0.00 H new ATOM 0 HG LEU B 79 11.467 -0.432 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU B 79 11.143 0.444 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.921 -0.776 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU B 79 9.495 0.951 -4.755 1.00 0.00 H new ATOM 0 HD21 LEU B 79 12.100 1.900 -3.497 1.00 0.00 H new ATOM 0 HD22 LEU B 79 10.494 2.453 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.627 1.747 -1.788 1.00 0.00 H new ATOM 2842 N ILE B 80 7.599 -1.449 -0.360 1.00 0.00 N ATOM 2843 CA ILE B 80 7.234 -2.211 0.826 1.00 0.00 C ATOM 2844 C ILE B 80 6.097 -3.174 0.512 1.00 0.00 C ATOM 2845 O ILE B 80 6.115 -4.330 0.936 1.00 0.00 O ATOM 2846 CB ILE B 80 6.845 -1.308 2.014 1.00 0.00 C ATOM 2847 CG1 ILE B 80 6.895 -2.111 3.313 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.467 -0.717 1.820 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.650 -2.942 3.560 1.00 0.00 C ATOM 0 H ILE B 80 7.283 -0.479 -0.357 1.00 0.00 H new ATOM 0 HA ILE B 80 8.119 -2.774 1.122 1.00 0.00 H new ATOM 0 HB ILE B 80 7.559 -0.487 2.069 1.00 0.00 H new ATOM 0 HG12 ILE B 80 7.763 -2.770 3.290 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.037 -1.426 4.149 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.219 -0.085 2.673 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.452 -0.119 0.909 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.735 -1.520 1.739 1.00 0.00 H new ATOM 0 HD11 ILE B 80 5.755 -3.485 4.499 1.00 0.00 H new ATOM 0 HD12 ILE B 80 4.780 -2.287 3.615 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.518 -3.652 2.743 1.00 0.00 H new ATOM 2861 N GLY B 81 5.118 -2.697 -0.254 1.00 0.00 N ATOM 2862 CA GLY B 81 4.002 -3.544 -0.632 1.00 0.00 C ATOM 2863 C GLY B 81 4.494 -4.831 -1.253 1.00 0.00 C ATOM 2864 O GLY B 81 4.092 -5.922 -0.848 1.00 0.00 O ATOM 0 H GLY B 81 5.079 -1.745 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.395 -3.767 0.245 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.361 -3.016 -1.338 1.00 0.00 H new ATOM 2868 N GLY B 82 5.394 -4.700 -2.225 1.00 0.00 N ATOM 2869 CA GLY B 82 5.959 -5.872 -2.870 1.00 0.00 C ATOM 2870 C GLY B 82 6.506 -6.861 -1.855 1.00 0.00 C ATOM 2871 O GLY B 82 6.382 -8.073 -2.029 1.00 0.00 O ATOM 0 H GLY B 82 5.740 -3.807 -2.576 1.00 0.00 H new ATOM 0 HA2 GLY B 82 5.195 -6.358 -3.477 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.757 -5.566 -3.547 1.00 0.00 H new ATOM 2875 N LEU B 83 7.099 -6.343 -0.779 1.00 0.00 N ATOM 2876 CA LEU B 83 7.640 -7.199 0.272 1.00 0.00 C ATOM 2877 C LEU B 83 6.526 -8.009 0.922 1.00 0.00 C ATOM 2878 O LEU B 83 6.653 -9.219 1.108 1.00 0.00 O ATOM 2879 CB LEU B 83 8.353 -6.370 1.339 1.00 0.00 C ATOM 2880 CG LEU B 83 9.130 -5.168 0.813 1.00 0.00 C ATOM 2881 CD1 LEU B 83 9.933 -4.520 1.930 1.00 0.00 C ATOM 2882 CD2 LEU B 83 10.036 -5.585 -0.337 1.00 0.00 C ATOM 0 H LEU B 83 7.215 -5.343 -0.615 1.00 0.00 H new ATOM 0 HA LEU B 83 8.360 -7.876 -0.187 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.613 -6.018 2.058 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.041 -7.019 1.881 1.00 0.00 H new ATOM 0 HG LEU B 83 8.419 -4.432 0.438 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.481 -3.664 1.535 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.257 -4.186 2.718 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.637 -5.244 2.339 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.584 -4.716 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.742 -6.339 0.011 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.432 -5.998 -1.145 1.00 0.00 H new ATOM 2894 N ALA B 84 5.432 -7.333 1.268 1.00 0.00 N ATOM 2895 CA ALA B 84 4.298 -8.001 1.899 1.00 0.00 C ATOM 2896 C ALA B 84 3.795 -9.161 1.054 1.00 0.00 C ATOM 2897 O ALA B 84 3.269 -10.145 1.572 1.00 0.00 O ATOM 2898 CB ALA B 84 3.161 -7.021 2.109 1.00 0.00 C ATOM 0 H ALA B 84 5.308 -6.331 1.123 1.00 0.00 H new ATOM 0 HA ALA B 84 4.641 -8.387 2.859 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.322 -7.533 2.580 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.496 -6.207 2.751 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.846 -6.618 1.147 1.00 0.00 H new ATOM 2904 N VAL B 85 3.946 -9.025 -0.251 1.00 0.00 N ATOM 2905 CA VAL B 85 3.491 -10.048 -1.182 1.00 0.00 C ATOM 2906 C VAL B 85 4.528 -11.137 -1.372 1.00 0.00 C ATOM 2907 O VAL B 85 4.222 -12.222 -1.866 1.00 0.00 O ATOM 2908 CB VAL B 85 3.108 -9.461 -2.560 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.675 -9.825 -2.883 1.00 0.00 C ATOM 2910 CG2 VAL B 85 3.282 -7.949 -2.605 1.00 0.00 C ATOM 0 H VAL B 85 4.381 -8.215 -0.693 1.00 0.00 H new ATOM 0 HA VAL B 85 2.598 -10.482 -0.732 1.00 0.00 H new ATOM 0 HB VAL B 85 3.779 -9.889 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL B 85 1.405 -9.411 -3.855 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.572 -10.910 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL B 85 1.015 -9.416 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL B 85 3.002 -7.580 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.646 -7.487 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL B 85 4.323 -7.697 -2.406 1.00 0.00 H new ATOM 2920 N ALA B 86 5.753 -10.841 -0.992 1.00 0.00 N ATOM 2921 CA ALA B 86 6.837 -11.787 -1.133 1.00 0.00 C ATOM 2922 C ALA B 86 7.392 -12.209 0.224 1.00 0.00 C ATOM 2923 O ALA B 86 8.408 -12.901 0.300 1.00 0.00 O ATOM 2924 CB ALA B 86 7.911 -11.157 -1.983 1.00 0.00 C ATOM 0 H ALA B 86 6.023 -9.947 -0.581 1.00 0.00 H new ATOM 0 HA ALA B 86 6.466 -12.692 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.739 -11.856 -2.101 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.502 -10.910 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.270 -10.248 -1.501 1.00 0.00 H new ATOM 2930 N CYS B 87 6.721 -11.792 1.293 1.00 0.00 N ATOM 2931 CA CYS B 87 7.151 -12.130 2.642 1.00 0.00 C ATOM 2932 C CYS B 87 5.952 -12.320 3.567 1.00 0.00 C ATOM 2933 O CYS B 87 5.923 -13.252 4.369 1.00 0.00 O ATOM 2934 CB CYS B 87 8.075 -11.042 3.192 1.00 0.00 C ATOM 2935 SG CYS B 87 9.763 -11.606 3.518 1.00 0.00 S ATOM 0 H CYS B 87 5.878 -11.220 1.250 1.00 0.00 H new ATOM 0 HA CYS B 87 7.699 -13.071 2.597 1.00 0.00 H new ATOM 0 HB2 CYS B 87 8.110 -10.216 2.482 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.649 -10.651 4.116 1.00 0.00 H new ATOM 0 HG CYS B 87 10.338 -10.794 4.355 1.00 0.00 H new ATOM 2941 N HIS B 88 4.964 -11.434 3.456 1.00 0.00 N ATOM 2942 CA HIS B 88 3.774 -11.529 4.296 1.00 0.00 C ATOM 2943 C HIS B 88 2.742 -12.466 3.679 1.00 0.00 C ATOM 2944 O HIS B 88 2.936 -12.980 2.577 1.00 0.00 O ATOM 2945 CB HIS B 88 3.155 -10.148 4.515 1.00 0.00 C ATOM 2946 CG HIS B 88 3.662 -9.450 5.739 1.00 0.00 C ATOM 2947 ND1 HIS B 88 3.111 -9.631 6.990 1.00 0.00 N ATOM 2948 CD2 HIS B 88 4.677 -8.567 5.900 1.00 0.00 C ATOM 2949 CE1 HIS B 88 3.762 -8.888 7.867 1.00 0.00 C ATOM 2950 NE2 HIS B 88 4.717 -8.234 7.231 1.00 0.00 N ATOM 0 H HIS B 88 4.963 -10.652 2.801 1.00 0.00 H new ATOM 0 HA HIS B 88 4.081 -11.936 5.260 1.00 0.00 H new ATOM 0 HB2 HIS B 88 3.357 -9.526 3.643 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.072 -10.252 4.589 1.00 0.00 H new ATOM 0 HD1 HIS B 88 2.324 -10.243 7.205 1.00 0.00 H new ATOM 0 HD2 HIS B 88 5.332 -8.195 5.126 1.00 0.00 H new ATOM 0 HE1 HIS B 88 3.549 -8.826 8.924 1.00 0.00 H new ATOM 2959 N GLU B 89 1.646 -12.685 4.398 1.00 0.00 N ATOM 2960 CA GLU B 89 0.582 -13.561 3.922 1.00 0.00 C ATOM 2961 C GLU B 89 -0.182 -12.915 2.772 1.00 0.00 C ATOM 2962 O GLU B 89 -1.002 -12.021 2.982 1.00 0.00 O ATOM 2963 CB GLU B 89 -0.379 -13.898 5.064 1.00 0.00 C ATOM 2964 CG GLU B 89 -1.407 -14.958 4.701 1.00 0.00 C ATOM 2965 CD GLU B 89 -2.164 -15.477 5.909 1.00 0.00 C ATOM 2966 OE1 GLU B 89 -1.517 -16.041 6.816 1.00 0.00 O ATOM 2967 OE2 GLU B 89 -3.401 -15.318 5.947 1.00 0.00 O ATOM 0 H GLU B 89 1.472 -12.268 5.312 1.00 0.00 H new ATOM 0 HA GLU B 89 1.039 -14.481 3.558 1.00 0.00 H new ATOM 0 HB2 GLU B 89 0.197 -14.242 5.923 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.898 -12.990 5.371 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -2.115 -14.541 3.985 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -0.906 -15.790 4.206 1.00 0.00 H new ATOM 2974 N SER B 90 0.097 -13.371 1.557 1.00 0.00 N ATOM 2975 CA SER B 90 -0.561 -12.838 0.370 1.00 0.00 C ATOM 2976 C SER B 90 -0.239 -13.685 -0.856 1.00 0.00 C ATOM 2977 O SER B 90 -1.139 -14.185 -1.532 1.00 0.00 O ATOM 2978 CB SER B 90 -0.130 -11.388 0.132 1.00 0.00 C ATOM 2979 OG SER B 90 1.104 -11.112 0.771 1.00 0.00 O ATOM 0 H SER B 90 0.775 -14.109 1.367 1.00 0.00 H new ATOM 0 HA SER B 90 -1.638 -12.867 0.536 1.00 0.00 H new ATOM 0 HB2 SER B 90 -0.038 -11.204 -0.938 1.00 0.00 H new ATOM 0 HB3 SER B 90 -0.897 -10.711 0.508 1.00 0.00 H new ATOM 0 HG SER B 90 0.951 -10.519 1.536 1.00 0.00 H new ATOM 2985 N PHE B 91 1.050 -13.844 -1.137 1.00 0.00 N ATOM 2986 CA PHE B 91 1.493 -14.632 -2.282 1.00 0.00 C ATOM 2987 C PHE B 91 2.472 -15.719 -1.848 1.00 0.00 C ATOM 2988 O PHE B 91 2.373 -16.868 -2.281 1.00 0.00 O ATOM 2989 CB PHE B 91 2.147 -13.727 -3.329 1.00 0.00 C ATOM 2990 CG PHE B 91 1.434 -13.725 -4.651 1.00 0.00 C ATOM 2991 CD1 PHE B 91 1.211 -14.910 -5.333 1.00 0.00 C ATOM 2992 CD2 PHE B 91 0.986 -12.539 -5.209 1.00 0.00 C ATOM 2993 CE1 PHE B 91 0.555 -14.912 -6.549 1.00 0.00 C ATOM 2994 CE2 PHE B 91 0.329 -12.534 -6.425 1.00 0.00 C ATOM 2995 CZ PHE B 91 0.113 -13.722 -7.095 1.00 0.00 C ATOM 0 H PHE B 91 1.807 -13.437 -0.587 1.00 0.00 H new ATOM 0 HA PHE B 91 0.618 -15.111 -2.722 1.00 0.00 H new ATOM 0 HB2 PHE B 91 2.184 -12.708 -2.944 1.00 0.00 H new ATOM 0 HB3 PHE B 91 3.177 -14.048 -3.482 1.00 0.00 H new ATOM 0 HD1 PHE B 91 1.554 -15.843 -4.910 1.00 0.00 H new ATOM 0 HD2 PHE B 91 1.152 -11.608 -4.688 1.00 0.00 H new ATOM 0 HE1 PHE B 91 0.388 -15.842 -7.072 1.00 0.00 H new ATOM 0 HE2 PHE B 91 -0.015 -11.603 -6.850 1.00 0.00 H new ATOM 0 HZ PHE B 91 -0.401 -13.721 -8.045 1.00 0.00 H new ATOM 3005 N VAL B 92 3.417 -15.348 -0.990 1.00 0.00 N ATOM 3006 CA VAL B 92 4.415 -16.288 -0.497 1.00 0.00 C ATOM 3007 C VAL B 92 3.811 -17.256 0.519 1.00 0.00 C ATOM 3008 O VAL B 92 4.318 -18.360 0.717 1.00 0.00 O ATOM 3009 CB VAL B 92 5.607 -15.553 0.149 1.00 0.00 C ATOM 3010 CG1 VAL B 92 5.146 -14.717 1.334 1.00 0.00 C ATOM 3011 CG2 VAL B 92 6.685 -16.542 0.570 1.00 0.00 C ATOM 0 H VAL B 92 3.512 -14.401 -0.622 1.00 0.00 H new ATOM 0 HA VAL B 92 4.770 -16.852 -1.359 1.00 0.00 H new ATOM 0 HB VAL B 92 6.036 -14.880 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL B 92 6.003 -14.207 1.775 1.00 0.00 H new ATOM 0 HG12 VAL B 92 4.418 -13.979 0.997 1.00 0.00 H new ATOM 0 HG13 VAL B 92 4.687 -15.365 2.080 1.00 0.00 H new ATOM 0 HG21 VAL B 92 7.517 -16.003 1.023 1.00 0.00 H new ATOM 0 HG22 VAL B 92 6.271 -17.245 1.293 1.00 0.00 H new ATOM 0 HG23 VAL B 92 7.040 -17.087 -0.304 1.00 0.00 H new