USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 HIS : no HE2:sc= -0.895 K(o=-0.9,f=-5.1!) USER MOD Set 2.1: A 43 THR OG1 : rot 67:sc= 1.09 USER MOD Set 2.2: A 44 HIS : no HD1:sc= 0.318 K(o=1.1,f=-0.34!) USER MOD Set 2.3: A 49 TYR OH : rot 60:sc= -0.358 USER MOD Set 3.1: A 9 MET CE :methyl 137:sc= -0.0158 (180deg=0) USER MOD Set 3.2: A 42 MET CE :methyl 170:sc= 0 (180deg=-0.11) USER MOD Single : A 10 GLN : amide:sc= -0.037 X(o=-0.037,f=-0.037) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -60:sc= 1.22 USER MOD Single : A 19 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=0) USER MOD Single : A 22 MET CE :methyl 173:sc= -0.0317 (180deg=-0.111) USER MOD Single : A 30 MET CE :methyl 143:sc= -0.0454 (180deg=-0.454) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-3e-05) USER MOD Single : A 50 SER OG : rot 180:sc=-0.00481 USER MOD Single : A 53 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.079) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 57 HIS : no HD1:sc= -0.576 X(o=-0.58,f=-0.22) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0.00175 K(o=0.0017,f=-1.6!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS :FLIP no HD1:sc= -0.571 F(o=-1.8,f=-0.57) USER MOD Single : A 89 MET CE :methyl -175:sc= -0.0348 (180deg=-0.0824) USER MOD Single : A 91 GLN : amide:sc= 0.81 K(o=0.81,f=-5.4!) USER MOD Single : A 92 THR OG1 : rot -66:sc= 0.0477 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 15:sc= 0.382 USER MOD Single : A 101 SER OG : rot 134:sc= 1.23 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0028 USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 6 7.201 30.009 32.595 1.00 1.00 N ATOM 77 CA VAL A 6 6.601 29.085 31.628 1.00 1.00 C ATOM 78 C VAL A 6 5.566 28.089 32.143 1.00 1.00 C ATOM 79 O VAL A 6 5.749 27.407 33.154 1.00 1.00 O ATOM 80 CB VAL A 6 7.668 28.375 30.790 1.00 1.00 C ATOM 81 CG1 VAL A 6 8.554 27.475 31.669 1.00 1.00 C ATOM 82 CG2 VAL A 6 7.089 27.572 29.604 1.00 1.00 C ATOM 0 HA VAL A 6 6.010 29.757 31.006 1.00 1.00 H new ATOM 0 HB VAL A 6 8.280 29.166 30.357 1.00 1.00 H new ATOM 0 HG11 VAL A 6 9.303 26.983 31.048 1.00 1.00 H new ATOM 0 HG12 VAL A 6 9.052 28.082 32.425 1.00 1.00 H new ATOM 0 HG13 VAL A 6 7.936 26.721 32.157 1.00 1.00 H new ATOM 0 HG21 VAL A 6 7.902 27.096 29.055 1.00 1.00 H new ATOM 0 HG22 VAL A 6 6.409 26.808 29.980 1.00 1.00 H new ATOM 0 HG23 VAL A 6 6.547 28.245 28.939 1.00 1.00 H new ATOM 92 N ILE A 7 4.436 27.963 31.425 1.00 1.00 N ATOM 93 CA ILE A 7 3.375 27.019 31.734 1.00 1.00 C ATOM 94 C ILE A 7 3.442 25.923 30.687 1.00 1.00 C ATOM 95 O ILE A 7 3.303 26.191 29.496 1.00 1.00 O ATOM 96 CB ILE A 7 1.983 27.654 31.724 1.00 1.00 C ATOM 97 CG1 ILE A 7 1.951 28.942 32.586 1.00 1.00 C ATOM 98 CG2 ILE A 7 0.953 26.613 32.226 1.00 1.00 C ATOM 99 CD1 ILE A 7 0.609 29.683 32.525 1.00 1.00 C ATOM 0 H ILE A 7 4.242 28.531 30.600 1.00 1.00 H new ATOM 0 HA ILE A 7 3.526 26.639 32.744 1.00 1.00 H new ATOM 0 HB ILE A 7 1.726 27.948 30.706 1.00 1.00 H new ATOM 0 HG12 ILE A 7 2.167 28.682 33.622 1.00 1.00 H new ATOM 0 HG13 ILE A 7 2.743 29.613 32.253 1.00 1.00 H new ATOM 0 HG21 ILE A 7 -0.043 27.056 32.223 1.00 1.00 H new ATOM 0 HG22 ILE A 7 0.965 25.743 31.569 1.00 1.00 H new ATOM 0 HG23 ILE A 7 1.210 26.306 33.240 1.00 1.00 H new ATOM 0 HD11 ILE A 7 0.657 30.574 33.151 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.400 29.973 31.495 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.185 29.029 32.885 1.00 1.00 H new ATOM 111 N GLU A 8 3.692 24.666 31.096 1.00 1.00 N ATOM 112 CA GLU A 8 3.866 23.543 30.188 1.00 1.00 C ATOM 113 C GLU A 8 2.865 22.459 30.530 1.00 1.00 C ATOM 114 O GLU A 8 2.939 21.853 31.599 1.00 1.00 O ATOM 115 CB GLU A 8 5.308 22.982 30.322 1.00 1.00 C ATOM 116 CG GLU A 8 5.642 21.694 29.514 1.00 1.00 C ATOM 117 CD GLU A 8 7.034 21.183 29.837 1.00 1.00 C ATOM 118 OE1 GLU A 8 7.372 21.086 31.047 1.00 1.00 O ATOM 119 OE2 GLU A 8 7.841 20.888 28.912 1.00 1.00 O ATOM 0 H GLU A 8 3.778 24.410 32.080 1.00 1.00 H new ATOM 0 HA GLU A 8 3.704 23.877 29.163 1.00 1.00 H new ATOM 0 HB2 GLU A 8 6.005 23.763 30.018 1.00 1.00 H new ATOM 0 HB3 GLU A 8 5.496 22.779 31.376 1.00 1.00 H new ATOM 0 HG2 GLU A 8 4.908 20.921 29.739 1.00 1.00 H new ATOM 0 HG3 GLU A 8 5.568 21.903 28.447 1.00 1.00 H new ATOM 126 N MET A 9 1.897 22.179 29.635 1.00 1.00 N ATOM 127 CA MET A 9 0.984 21.074 29.852 1.00 1.00 C ATOM 128 C MET A 9 0.357 20.625 28.550 1.00 1.00 C ATOM 129 O MET A 9 0.139 21.410 27.627 1.00 1.00 O ATOM 130 CB MET A 9 -0.107 21.387 30.913 1.00 1.00 C ATOM 131 CG MET A 9 -1.030 22.573 30.587 1.00 1.00 C ATOM 132 SD MET A 9 -1.930 23.174 32.045 1.00 1.00 S ATOM 133 CE MET A 9 -2.922 24.349 31.092 1.00 1.00 C ATOM 0 H MET A 9 1.740 22.702 28.773 1.00 1.00 H new ATOM 0 HA MET A 9 1.581 20.255 30.254 1.00 1.00 H new ATOM 0 HB2 MET A 9 -0.722 20.498 31.049 1.00 1.00 H new ATOM 0 HB3 MET A 9 0.384 21.583 31.866 1.00 1.00 H new ATOM 0 HG2 MET A 9 -0.437 23.387 30.169 1.00 1.00 H new ATOM 0 HG3 MET A 9 -1.745 22.273 29.821 1.00 1.00 H new ATOM 0 HE1 MET A 9 -3.957 24.311 31.432 1.00 1.00 H new ATOM 0 HE2 MET A 9 -2.530 25.356 31.235 1.00 1.00 H new ATOM 0 HE3 MET A 9 -2.877 24.089 30.034 1.00 1.00 H new ATOM 143 N GLN A 10 0.059 19.316 28.446 1.00 1.00 N ATOM 144 CA GLN A 10 -0.514 18.640 27.294 1.00 1.00 C ATOM 145 C GLN A 10 0.291 18.782 26.010 1.00 1.00 C ATOM 146 O GLN A 10 -0.255 18.871 24.913 1.00 1.00 O ATOM 147 CB GLN A 10 -2.000 19.028 27.071 1.00 1.00 C ATOM 148 CG GLN A 10 -2.891 18.882 28.328 1.00 1.00 C ATOM 149 CD GLN A 10 -2.845 17.469 28.902 1.00 1.00 C ATOM 150 OE1 GLN A 10 -2.403 17.243 30.033 1.00 1.00 O ATOM 151 NE2 GLN A 10 -3.298 16.481 28.106 1.00 1.00 N ATOM 0 H GLN A 10 0.227 18.673 29.219 1.00 1.00 H new ATOM 0 HA GLN A 10 -0.469 17.581 27.549 1.00 1.00 H new ATOM 0 HB2 GLN A 10 -2.046 20.061 26.725 1.00 1.00 H new ATOM 0 HB3 GLN A 10 -2.410 18.407 26.275 1.00 1.00 H new ATOM 0 HG2 GLN A 10 -2.565 19.592 29.088 1.00 1.00 H new ATOM 0 HG3 GLN A 10 -3.920 19.137 28.074 1.00 1.00 H new ATOM 0 HE21 GLN A 10 -3.657 16.699 27.177 1.00 1.00 H new ATOM 0 HE22 GLN A 10 -3.282 15.515 28.433 1.00 1.00 H new ATOM 160 N GLY A 11 1.636 18.800 26.110 1.00 1.00 N ATOM 161 CA GLY A 11 2.522 18.958 24.959 1.00 1.00 C ATOM 162 C GLY A 11 2.656 20.377 24.467 1.00 1.00 C ATOM 163 O GLY A 11 3.270 20.622 23.428 1.00 1.00 O ATOM 0 H GLY A 11 2.130 18.705 26.997 1.00 1.00 H new ATOM 0 HA2 GLY A 11 3.511 18.583 25.223 1.00 1.00 H new ATOM 0 HA3 GLY A 11 2.152 18.337 24.143 1.00 1.00 H new ATOM 167 N LEU A 12 2.072 21.348 25.188 1.00 1.00 N ATOM 168 CA LEU A 12 2.019 22.746 24.813 1.00 1.00 C ATOM 169 C LEU A 12 2.703 23.574 25.889 1.00 1.00 C ATOM 170 O LEU A 12 2.413 23.426 27.075 1.00 1.00 O ATOM 171 CB LEU A 12 0.536 23.188 24.706 1.00 1.00 C ATOM 172 CG LEU A 12 0.291 24.587 24.103 1.00 1.00 C ATOM 173 CD1 LEU A 12 0.504 24.602 22.582 1.00 1.00 C ATOM 174 CD2 LEU A 12 -1.125 25.087 24.430 1.00 1.00 C ATOM 0 H LEU A 12 1.611 21.161 26.078 1.00 1.00 H new ATOM 0 HA LEU A 12 2.520 22.891 23.856 1.00 1.00 H new ATOM 0 HB2 LEU A 12 0.001 22.455 24.102 1.00 1.00 H new ATOM 0 HB3 LEU A 12 0.096 23.161 25.703 1.00 1.00 H new ATOM 0 HG LEU A 12 1.022 25.257 24.556 1.00 1.00 H new ATOM 0 HD11 LEU A 12 0.321 25.606 22.199 1.00 1.00 H new ATOM 0 HD12 LEU A 12 1.529 24.308 22.355 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -0.187 23.903 22.111 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -1.272 26.075 23.994 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -1.859 24.395 24.018 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -1.249 25.146 25.511 1.00 1.00 H new ATOM 186 N SER A 13 3.637 24.470 25.514 1.00 1.00 N ATOM 187 CA SER A 13 4.345 25.314 26.467 1.00 1.00 C ATOM 188 C SER A 13 4.200 26.785 26.136 1.00 1.00 C ATOM 189 O SER A 13 4.396 27.220 25.003 1.00 1.00 O ATOM 190 CB SER A 13 5.845 24.949 26.642 1.00 1.00 C ATOM 191 OG SER A 13 6.607 25.124 25.443 1.00 1.00 O ATOM 0 H SER A 13 3.913 24.620 24.544 1.00 1.00 H new ATOM 0 HA SER A 13 3.862 25.117 27.424 1.00 1.00 H new ATOM 0 HB2 SER A 13 6.274 25.566 27.432 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.925 23.912 26.969 1.00 1.00 H new ATOM 0 HG SER A 13 7.542 24.882 25.611 1.00 1.00 H new ATOM 197 N LEU A 14 3.835 27.605 27.135 1.00 1.00 N ATOM 198 CA LEU A 14 3.584 29.023 26.982 1.00 1.00 C ATOM 199 C LEU A 14 4.414 29.805 27.983 1.00 1.00 C ATOM 200 O LEU A 14 4.357 29.550 29.182 1.00 1.00 O ATOM 201 CB LEU A 14 2.072 29.287 27.181 1.00 1.00 C ATOM 202 CG LEU A 14 1.611 30.760 27.224 1.00 1.00 C ATOM 203 CD1 LEU A 14 0.225 30.895 26.592 1.00 1.00 C ATOM 204 CD2 LEU A 14 1.526 31.327 28.648 1.00 1.00 C ATOM 0 H LEU A 14 3.706 27.278 28.093 1.00 1.00 H new ATOM 0 HA LEU A 14 3.871 29.351 25.983 1.00 1.00 H new ATOM 0 HB2 LEU A 14 1.533 28.788 26.375 1.00 1.00 H new ATOM 0 HB3 LEU A 14 1.766 28.810 28.112 1.00 1.00 H new ATOM 0 HG LEU A 14 2.363 31.323 26.672 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -0.091 31.938 26.627 1.00 1.00 H new ATOM 0 HD12 LEU A 14 0.264 30.563 25.555 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -0.487 30.281 27.143 1.00 1.00 H new ATOM 0 HD21 LEU A 14 1.196 32.365 28.607 1.00 1.00 H new ATOM 0 HD22 LEU A 14 0.814 30.743 29.230 1.00 1.00 H new ATOM 0 HD23 LEU A 14 2.508 31.276 29.119 1.00 1.00 H new ATOM 216 N ASP A 15 5.216 30.781 27.520 1.00 1.00 N ATOM 217 CA ASP A 15 6.084 31.599 28.347 1.00 1.00 C ATOM 218 C ASP A 15 5.522 33.026 28.422 1.00 1.00 C ATOM 219 O ASP A 15 5.580 33.751 27.421 1.00 1.00 O ATOM 220 CB ASP A 15 7.499 31.576 27.707 1.00 1.00 C ATOM 221 CG ASP A 15 8.550 32.322 28.496 1.00 1.00 C ATOM 222 OD1 ASP A 15 9.017 31.792 29.540 1.00 1.00 O ATOM 223 OD2 ASP A 15 8.949 33.437 28.062 1.00 1.00 O ATOM 0 H ASP A 15 5.270 31.019 26.530 1.00 1.00 H new ATOM 0 HA ASP A 15 6.142 31.216 29.366 1.00 1.00 H new ATOM 0 HB2 ASP A 15 7.816 30.540 27.591 1.00 1.00 H new ATOM 0 HB3 ASP A 15 7.440 32.005 26.707 1.00 1.00 H new ATOM 228 N PRO A 16 4.976 33.505 29.547 1.00 1.00 N ATOM 229 CA PRO A 16 4.466 34.869 29.660 1.00 1.00 C ATOM 230 C PRO A 16 5.541 35.936 29.593 1.00 1.00 C ATOM 231 O PRO A 16 5.222 37.073 29.244 1.00 1.00 O ATOM 232 CB PRO A 16 3.747 34.893 31.018 1.00 1.00 C ATOM 233 CG PRO A 16 3.339 33.440 31.249 1.00 1.00 C ATOM 234 CD PRO A 16 4.525 32.675 30.671 1.00 1.00 C ATOM 0 HA PRO A 16 3.814 35.106 28.819 1.00 1.00 H new ATOM 0 HB2 PRO A 16 4.403 35.254 31.810 1.00 1.00 H new ATOM 0 HB3 PRO A 16 2.879 35.552 30.998 1.00 1.00 H new ATOM 0 HG2 PRO A 16 3.191 33.222 32.307 1.00 1.00 H new ATOM 0 HG3 PRO A 16 2.408 33.193 30.739 1.00 1.00 H new ATOM 0 HD2 PRO A 16 5.314 32.545 31.412 1.00 1.00 H new ATOM 0 HD3 PRO A 16 4.233 31.679 30.338 1.00 1.00 H new ATOM 242 N THR A 17 6.799 35.621 29.964 1.00 1.00 N ATOM 243 CA THR A 17 7.919 36.568 29.970 1.00 1.00 C ATOM 244 C THR A 17 8.253 37.085 28.586 1.00 1.00 C ATOM 245 O THR A 17 8.422 38.286 28.370 1.00 1.00 O ATOM 246 CB THR A 17 9.193 35.957 30.556 1.00 1.00 C ATOM 247 OG1 THR A 17 8.982 35.577 31.909 1.00 1.00 O ATOM 248 CG2 THR A 17 10.397 36.911 30.545 1.00 1.00 C ATOM 0 H THR A 17 7.063 34.685 30.272 1.00 1.00 H new ATOM 0 HA THR A 17 7.579 37.393 30.597 1.00 1.00 H new ATOM 0 HB THR A 17 9.417 35.102 29.918 1.00 1.00 H new ATOM 0 HG1 THR A 17 9.804 35.186 32.271 1.00 1.00 H new ATOM 0 HG21 THR A 17 11.263 36.409 30.976 1.00 1.00 H new ATOM 0 HG22 THR A 17 10.620 37.204 29.519 1.00 1.00 H new ATOM 0 HG23 THR A 17 10.163 37.799 31.133 1.00 1.00 H new ATOM 256 N SER A 18 8.327 36.185 27.585 1.00 1.00 N ATOM 257 CA SER A 18 8.680 36.569 26.223 1.00 1.00 C ATOM 258 C SER A 18 7.518 36.536 25.253 1.00 1.00 C ATOM 259 O SER A 18 7.662 36.953 24.105 1.00 1.00 O ATOM 260 CB SER A 18 9.842 35.699 25.672 1.00 1.00 C ATOM 261 OG SER A 18 9.531 34.302 25.613 1.00 1.00 O ATOM 0 H SER A 18 8.145 35.189 27.705 1.00 1.00 H new ATOM 0 HA SER A 18 9.001 37.608 26.299 1.00 1.00 H new ATOM 0 HB2 SER A 18 10.104 36.047 24.673 1.00 1.00 H new ATOM 0 HB3 SER A 18 10.721 35.841 26.300 1.00 1.00 H new ATOM 0 HG SER A 18 9.317 33.976 26.512 1.00 1.00 H new ATOM 267 N HIS A 19 6.327 36.078 25.695 1.00 1.00 N ATOM 268 CA HIS A 19 5.145 35.840 24.870 1.00 1.00 C ATOM 269 C HIS A 19 5.340 34.746 23.831 1.00 1.00 C ATOM 270 O HIS A 19 4.941 34.874 22.677 1.00 1.00 O ATOM 271 CB HIS A 19 4.513 37.088 24.193 1.00 1.00 C ATOM 272 CG HIS A 19 3.851 38.061 25.124 1.00 1.00 C ATOM 273 ND1 HIS A 19 2.839 38.864 24.679 1.00 1.00 N ATOM 274 CD2 HIS A 19 4.049 38.362 26.428 1.00 1.00 C ATOM 275 CE1 HIS A 19 2.418 39.624 25.674 1.00 1.00 C ATOM 276 NE2 HIS A 19 3.138 39.337 26.748 1.00 1.00 N ATOM 0 H HIS A 19 6.167 35.858 26.678 1.00 1.00 H new ATOM 0 HA HIS A 19 4.427 35.506 25.619 1.00 1.00 H new ATOM 0 HB2 HIS A 19 5.292 37.613 23.640 1.00 1.00 H new ATOM 0 HB3 HIS A 19 3.776 36.751 23.464 1.00 1.00 H new ATOM 0 HD2 HIS A 19 4.781 37.921 27.088 1.00 1.00 H new ATOM 0 HE1 HIS A 19 1.624 40.354 25.621 1.00 1.00 H new ATOM 0 HE2 HIS A 19 3.032 39.771 27.665 1.00 1.00 H new ATOM 285 N ARG A 20 5.944 33.618 24.230 1.00 1.00 N ATOM 286 CA ARG A 20 6.280 32.545 23.313 1.00 1.00 C ATOM 287 C ARG A 20 5.427 31.314 23.578 1.00 1.00 C ATOM 288 O ARG A 20 5.315 30.864 24.716 1.00 1.00 O ATOM 289 CB ARG A 20 7.770 32.183 23.498 1.00 1.00 C ATOM 290 CG ARG A 20 8.371 31.301 22.390 1.00 1.00 C ATOM 291 CD ARG A 20 9.770 30.804 22.762 1.00 1.00 C ATOM 292 NE ARG A 20 10.335 30.146 21.551 1.00 1.00 N ATOM 293 CZ ARG A 20 11.304 29.223 21.563 1.00 1.00 C ATOM 294 NH1 ARG A 20 11.873 28.788 22.677 1.00 1.00 N ATOM 295 NH2 ARG A 20 11.700 28.743 20.388 1.00 1.00 N ATOM 0 H ARG A 20 6.209 33.434 25.198 1.00 1.00 H new ATOM 0 HA ARG A 20 6.090 32.880 22.293 1.00 1.00 H new ATOM 0 HB2 ARG A 20 8.347 33.106 23.559 1.00 1.00 H new ATOM 0 HB3 ARG A 20 7.887 31.670 24.453 1.00 1.00 H new ATOM 0 HG2 ARG A 20 7.717 30.448 22.209 1.00 1.00 H new ATOM 0 HG3 ARG A 20 8.421 31.868 21.460 1.00 1.00 H new ATOM 0 HD2 ARG A 20 10.402 31.633 23.080 1.00 1.00 H new ATOM 0 HD3 ARG A 20 9.721 30.102 23.595 1.00 1.00 H new ATOM 0 HE ARG A 20 9.955 30.419 20.645 1.00 1.00 H new ATOM 0 HH11 ARG A 20 11.576 29.159 23.580 1.00 1.00 H new ATOM 0 HH12 ARG A 20 12.608 28.082 22.632 1.00 1.00 H new ATOM 0 HH21 ARG A 20 11.268 29.080 19.528 1.00 1.00 H new ATOM 0 HH22 ARG A 20 12.436 28.038 20.347 1.00 1.00 H new ATOM 309 N VAL A 21 4.799 30.736 22.533 1.00 1.00 N ATOM 310 CA VAL A 21 4.012 29.514 22.634 1.00 1.00 C ATOM 311 C VAL A 21 4.639 28.461 21.730 1.00 1.00 C ATOM 312 O VAL A 21 4.947 28.723 20.566 1.00 1.00 O ATOM 313 CB VAL A 21 2.552 29.701 22.224 1.00 1.00 C ATOM 314 CG1 VAL A 21 1.737 28.426 22.526 1.00 1.00 C ATOM 315 CG2 VAL A 21 1.945 30.887 22.990 1.00 1.00 C ATOM 0 H VAL A 21 4.832 31.119 21.588 1.00 1.00 H new ATOM 0 HA VAL A 21 4.016 29.211 23.681 1.00 1.00 H new ATOM 0 HB VAL A 21 2.516 29.898 21.153 1.00 1.00 H new ATOM 0 HG11 VAL A 21 0.700 28.578 22.227 1.00 1.00 H new ATOM 0 HG12 VAL A 21 2.155 27.587 21.970 1.00 1.00 H new ATOM 0 HG13 VAL A 21 1.779 28.211 23.594 1.00 1.00 H new ATOM 0 HG21 VAL A 21 0.904 31.017 22.694 1.00 1.00 H new ATOM 0 HG22 VAL A 21 1.997 30.693 24.061 1.00 1.00 H new ATOM 0 HG23 VAL A 21 2.503 31.794 22.758 1.00 1.00 H new ATOM 325 N MET A 22 4.849 27.231 22.235 1.00 1.00 N ATOM 326 CA MET A 22 5.355 26.123 21.450 1.00 1.00 C ATOM 327 C MET A 22 4.498 24.891 21.649 1.00 1.00 C ATOM 328 O MET A 22 3.926 24.670 22.714 1.00 1.00 O ATOM 329 CB MET A 22 6.794 25.709 21.846 1.00 1.00 C ATOM 330 CG MET A 22 7.834 26.840 21.801 1.00 1.00 C ATOM 331 SD MET A 22 9.511 26.239 22.151 1.00 1.00 S ATOM 332 CE MET A 22 9.857 25.620 20.481 1.00 1.00 C ATOM 0 H MET A 22 4.666 26.991 23.209 1.00 1.00 H new ATOM 0 HA MET A 22 5.340 26.475 20.418 1.00 1.00 H new ATOM 0 HB2 MET A 22 6.772 25.297 22.855 1.00 1.00 H new ATOM 0 HB3 MET A 22 7.121 24.909 21.182 1.00 1.00 H new ATOM 0 HG2 MET A 22 7.816 27.310 20.818 1.00 1.00 H new ATOM 0 HG3 MET A 22 7.566 27.608 22.527 1.00 1.00 H new ATOM 0 HE1 MET A 22 10.899 25.307 20.418 1.00 1.00 H new ATOM 0 HE2 MET A 22 9.209 24.770 20.267 1.00 1.00 H new ATOM 0 HE3 MET A 22 9.671 26.411 19.754 1.00 1.00 H new ATOM 342 N ALA A 23 4.423 24.030 20.619 1.00 1.00 N ATOM 343 CA ALA A 23 3.853 22.708 20.708 1.00 1.00 C ATOM 344 C ALA A 23 5.004 21.743 20.504 1.00 1.00 C ATOM 345 O ALA A 23 5.568 21.632 19.413 1.00 1.00 O ATOM 346 CB ALA A 23 2.769 22.502 19.628 1.00 1.00 C ATOM 0 H ALA A 23 4.770 24.256 19.687 1.00 1.00 H new ATOM 0 HA ALA A 23 3.367 22.551 21.671 1.00 1.00 H new ATOM 0 HB1 ALA A 23 2.354 21.498 19.716 1.00 1.00 H new ATOM 0 HB2 ALA A 23 1.975 23.236 19.765 1.00 1.00 H new ATOM 0 HB3 ALA A 23 3.212 22.627 18.640 1.00 1.00 H new ATOM 352 N GLY A 24 5.428 21.039 21.573 1.00 1.00 N ATOM 353 CA GLY A 24 6.704 20.327 21.610 1.00 1.00 C ATOM 354 C GLY A 24 7.900 21.207 21.318 1.00 1.00 C ATOM 355 O GLY A 24 8.184 22.154 22.057 1.00 1.00 O ATOM 0 H GLY A 24 4.887 20.953 22.434 1.00 1.00 H new ATOM 0 HA2 GLY A 24 6.829 19.874 22.593 1.00 1.00 H new ATOM 0 HA3 GLY A 24 6.677 19.513 20.885 1.00 1.00 H new ATOM 359 N GLU A 25 8.619 20.917 20.215 1.00 1.00 N ATOM 360 CA GLU A 25 9.727 21.729 19.732 1.00 1.00 C ATOM 361 C GLU A 25 9.351 22.547 18.496 1.00 1.00 C ATOM 362 O GLU A 25 10.218 23.018 17.758 1.00 1.00 O ATOM 363 CB GLU A 25 10.994 20.880 19.447 1.00 1.00 C ATOM 364 CG GLU A 25 10.849 19.812 18.334 1.00 1.00 C ATOM 365 CD GLU A 25 12.199 19.248 17.929 1.00 1.00 C ATOM 366 OE1 GLU A 25 12.832 18.529 18.753 1.00 1.00 O ATOM 367 OE2 GLU A 25 12.632 19.506 16.775 1.00 1.00 O ATOM 0 H GLU A 25 8.435 20.099 19.635 1.00 1.00 H new ATOM 0 HA GLU A 25 9.959 22.425 20.538 1.00 1.00 H new ATOM 0 HB2 GLU A 25 11.807 21.553 19.176 1.00 1.00 H new ATOM 0 HB3 GLU A 25 11.289 20.380 20.369 1.00 1.00 H new ATOM 0 HG2 GLU A 25 10.206 19.005 18.684 1.00 1.00 H new ATOM 0 HG3 GLU A 25 10.362 20.254 17.465 1.00 1.00 H new ATOM 374 N GLU A 26 8.042 22.759 18.239 1.00 1.00 N ATOM 375 CA GLU A 26 7.561 23.569 17.132 1.00 1.00 C ATOM 376 C GLU A 26 6.958 24.882 17.646 1.00 1.00 C ATOM 377 O GLU A 26 5.975 24.837 18.388 1.00 1.00 O ATOM 378 CB GLU A 26 6.473 22.823 16.318 1.00 1.00 C ATOM 379 CG GLU A 26 7.021 21.596 15.550 1.00 1.00 C ATOM 380 CD GLU A 26 5.966 20.989 14.649 1.00 1.00 C ATOM 381 OE1 GLU A 26 5.219 20.085 15.118 1.00 1.00 O ATOM 382 OE2 GLU A 26 5.856 21.418 13.465 1.00 1.00 O ATOM 0 H GLU A 26 7.294 22.363 18.808 1.00 1.00 H new ATOM 0 HA GLU A 26 8.418 23.774 16.491 1.00 1.00 H new ATOM 0 HB2 GLU A 26 5.682 22.497 16.994 1.00 1.00 H new ATOM 0 HB3 GLU A 26 6.021 23.516 15.608 1.00 1.00 H new ATOM 0 HG2 GLU A 26 7.883 21.894 14.953 1.00 1.00 H new ATOM 0 HG3 GLU A 26 7.369 20.846 16.261 1.00 1.00 H new ATOM 389 N PRO A 27 7.468 26.072 17.324 1.00 1.00 N ATOM 390 CA PRO A 27 6.909 27.334 17.805 1.00 1.00 C ATOM 391 C PRO A 27 5.650 27.752 17.053 1.00 1.00 C ATOM 392 O PRO A 27 5.523 27.497 15.851 1.00 1.00 O ATOM 393 CB PRO A 27 8.055 28.335 17.595 1.00 1.00 C ATOM 394 CG PRO A 27 8.827 27.784 16.394 1.00 1.00 C ATOM 395 CD PRO A 27 8.726 26.273 16.596 1.00 1.00 C ATOM 0 HA PRO A 27 6.581 27.266 18.842 1.00 1.00 H new ATOM 0 HB2 PRO A 27 7.676 29.338 17.397 1.00 1.00 H new ATOM 0 HB3 PRO A 27 8.690 28.403 18.478 1.00 1.00 H new ATOM 0 HG2 PRO A 27 8.383 28.097 15.449 1.00 1.00 H new ATOM 0 HG3 PRO A 27 9.863 28.124 16.388 1.00 1.00 H new ATOM 0 HD2 PRO A 27 8.718 25.747 15.642 1.00 1.00 H new ATOM 0 HD3 PRO A 27 9.576 25.893 17.163 1.00 1.00 H new ATOM 403 N LEU A 28 4.688 28.381 17.755 1.00 1.00 N ATOM 404 CA LEU A 28 3.435 28.858 17.195 1.00 1.00 C ATOM 405 C LEU A 28 3.513 30.335 16.837 1.00 1.00 C ATOM 406 O LEU A 28 4.355 31.083 17.339 1.00 1.00 O ATOM 407 CB LEU A 28 2.243 28.682 18.175 1.00 1.00 C ATOM 408 CG LEU A 28 1.654 27.260 18.248 1.00 1.00 C ATOM 409 CD1 LEU A 28 2.569 26.254 18.947 1.00 1.00 C ATOM 410 CD2 LEU A 28 0.297 27.291 18.961 1.00 1.00 C ATOM 0 H LEU A 28 4.775 28.570 18.753 1.00 1.00 H new ATOM 0 HA LEU A 28 3.268 28.254 16.303 1.00 1.00 H new ATOM 0 HB2 LEU A 28 2.569 28.974 19.173 1.00 1.00 H new ATOM 0 HB3 LEU A 28 1.450 29.371 17.884 1.00 1.00 H new ATOM 0 HG LEU A 28 1.541 26.924 17.217 1.00 1.00 H new ATOM 0 HD11 LEU A 28 2.090 25.275 18.961 1.00 1.00 H new ATOM 0 HD12 LEU A 28 3.515 26.187 18.409 1.00 1.00 H new ATOM 0 HD13 LEU A 28 2.756 26.582 19.970 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -0.112 26.282 19.008 1.00 1.00 H new ATOM 0 HD22 LEU A 28 0.426 27.678 19.972 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -0.389 27.935 18.411 1.00 1.00 H new ATOM 422 N GLU A 29 2.600 30.775 15.952 1.00 1.00 N ATOM 423 CA GLU A 29 2.455 32.149 15.505 1.00 1.00 C ATOM 424 C GLU A 29 1.022 32.602 15.777 1.00 1.00 C ATOM 425 O GLU A 29 0.058 32.016 15.279 1.00 1.00 O ATOM 426 CB GLU A 29 2.789 32.242 13.989 1.00 1.00 C ATOM 427 CG GLU A 29 2.632 33.641 13.338 1.00 1.00 C ATOM 428 CD GLU A 29 3.052 33.626 11.880 1.00 1.00 C ATOM 429 OE1 GLU A 29 4.272 33.492 11.591 1.00 1.00 O ATOM 430 OE2 GLU A 29 2.176 33.733 10.976 1.00 1.00 O ATOM 0 H GLU A 29 1.922 30.148 15.519 1.00 1.00 H new ATOM 0 HA GLU A 29 3.143 32.800 16.044 1.00 1.00 H new ATOM 0 HB2 GLU A 29 3.817 31.910 13.844 1.00 1.00 H new ATOM 0 HB3 GLU A 29 2.149 31.541 13.453 1.00 1.00 H new ATOM 0 HG2 GLU A 29 1.594 33.965 13.415 1.00 1.00 H new ATOM 0 HG3 GLU A 29 3.234 34.367 13.884 1.00 1.00 H new ATOM 437 N MET A 30 0.831 33.652 16.603 1.00 1.00 N ATOM 438 CA MET A 30 -0.493 34.149 16.928 1.00 1.00 C ATOM 439 C MET A 30 -0.469 35.606 17.352 1.00 1.00 C ATOM 440 O MET A 30 0.557 36.162 17.751 1.00 1.00 O ATOM 441 CB MET A 30 -1.174 33.315 18.047 1.00 1.00 C ATOM 442 CG MET A 30 -0.500 33.398 19.436 1.00 1.00 C ATOM 443 SD MET A 30 -1.284 32.357 20.707 1.00 1.00 S ATOM 444 CE MET A 30 -0.665 30.777 20.065 1.00 1.00 C ATOM 0 H MET A 30 1.591 34.164 17.051 1.00 1.00 H new ATOM 0 HA MET A 30 -1.072 34.054 16.010 1.00 1.00 H new ATOM 0 HB2 MET A 30 -2.209 33.643 18.143 1.00 1.00 H new ATOM 0 HB3 MET A 30 -1.199 32.271 17.735 1.00 1.00 H new ATOM 0 HG2 MET A 30 0.546 33.107 19.338 1.00 1.00 H new ATOM 0 HG3 MET A 30 -0.513 34.435 19.772 1.00 1.00 H new ATOM 0 HE1 MET A 30 -0.422 30.116 20.897 1.00 1.00 H new ATOM 0 HE2 MET A 30 -1.430 30.312 19.444 1.00 1.00 H new ATOM 0 HE3 MET A 30 0.230 30.952 19.467 1.00 1.00 H new ATOM 454 N GLY A 31 -1.633 36.284 17.258 1.00 1.00 N ATOM 455 CA GLY A 31 -1.804 37.655 17.702 1.00 1.00 C ATOM 456 C GLY A 31 -1.670 37.860 19.200 1.00 1.00 C ATOM 457 O GLY A 31 -1.883 36.935 19.986 1.00 1.00 O ATOM 0 H GLY A 31 -2.481 35.876 16.865 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -1.068 38.280 17.197 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -2.788 38.004 17.388 1.00 1.00 H new ATOM 461 N PRO A 32 -1.371 39.067 19.652 1.00 1.00 N ATOM 462 CA PRO A 32 -1.160 39.364 21.064 1.00 1.00 C ATOM 463 C PRO A 32 -2.433 39.260 21.886 1.00 1.00 C ATOM 464 O PRO A 32 -2.353 38.920 23.067 1.00 1.00 O ATOM 465 CB PRO A 32 -0.572 40.785 21.062 1.00 1.00 C ATOM 466 CG PRO A 32 -0.995 41.387 19.720 1.00 1.00 C ATOM 467 CD PRO A 32 -0.988 40.181 18.791 1.00 1.00 C ATOM 0 HA PRO A 32 -0.495 38.642 21.538 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -0.956 41.372 21.896 1.00 1.00 H new ATOM 0 HB3 PRO A 32 0.513 40.763 21.160 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -1.981 41.848 19.777 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -0.301 42.158 19.386 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -1.690 40.308 17.967 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -0.004 40.024 18.349 1.00 1.00 H new ATOM 475 N THR A 33 -3.616 39.544 21.301 1.00 1.00 N ATOM 476 CA THR A 33 -4.913 39.350 21.958 1.00 1.00 C ATOM 477 C THR A 33 -5.197 37.872 22.175 1.00 1.00 C ATOM 478 O THR A 33 -5.724 37.453 23.206 1.00 1.00 O ATOM 479 CB THR A 33 -6.093 39.986 21.218 1.00 1.00 C ATOM 480 OG1 THR A 33 -5.759 41.294 20.777 1.00 1.00 O ATOM 481 CG2 THR A 33 -7.302 40.148 22.149 1.00 1.00 C ATOM 0 H THR A 33 -3.692 39.916 20.354 1.00 1.00 H new ATOM 0 HA THR A 33 -4.824 39.865 22.915 1.00 1.00 H new ATOM 0 HB THR A 33 -6.327 39.329 20.380 1.00 1.00 H new ATOM 0 HG1 THR A 33 -6.523 41.685 20.305 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.126 40.602 21.599 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.609 39.170 22.521 1.00 1.00 H new ATOM 0 HG23 THR A 33 -7.031 40.787 22.989 1.00 1.00 H new ATOM 489 N GLU A 34 -4.819 37.018 21.198 1.00 1.00 N ATOM 490 CA GLU A 34 -4.909 35.565 21.273 1.00 1.00 C ATOM 491 C GLU A 34 -3.996 35.001 22.351 1.00 1.00 C ATOM 492 O GLU A 34 -4.403 34.138 23.127 1.00 1.00 O ATOM 493 CB GLU A 34 -4.625 34.893 19.899 1.00 1.00 C ATOM 494 CG GLU A 34 -5.871 34.707 18.984 1.00 1.00 C ATOM 495 CD GLU A 34 -6.572 35.992 18.578 1.00 1.00 C ATOM 496 OE1 GLU A 34 -7.225 36.616 19.451 1.00 1.00 O ATOM 497 OE2 GLU A 34 -6.524 36.375 17.379 1.00 1.00 O ATOM 0 H GLU A 34 -4.432 37.344 20.312 1.00 1.00 H new ATOM 0 HA GLU A 34 -5.937 35.329 21.548 1.00 1.00 H new ATOM 0 HB2 GLU A 34 -3.888 35.492 19.365 1.00 1.00 H new ATOM 0 HB3 GLU A 34 -4.175 33.916 20.076 1.00 1.00 H new ATOM 0 HG2 GLU A 34 -5.564 34.179 18.081 1.00 1.00 H new ATOM 0 HG3 GLU A 34 -6.588 34.068 19.499 1.00 1.00 H new ATOM 504 N PHE A 35 -2.754 35.520 22.473 1.00 1.00 N ATOM 505 CA PHE A 35 -1.836 35.165 23.546 1.00 1.00 C ATOM 506 C PHE A 35 -2.398 35.485 24.935 1.00 1.00 C ATOM 507 O PHE A 35 -2.377 34.652 25.842 1.00 1.00 O ATOM 508 CB PHE A 35 -0.476 35.898 23.336 1.00 1.00 C ATOM 509 CG PHE A 35 0.558 35.426 24.329 1.00 1.00 C ATOM 510 CD1 PHE A 35 1.311 34.272 24.075 1.00 1.00 C ATOM 511 CD2 PHE A 35 0.707 36.077 25.568 1.00 1.00 C ATOM 512 CE1 PHE A 35 2.160 33.746 25.059 1.00 1.00 C ATOM 513 CE2 PHE A 35 1.542 35.546 26.560 1.00 1.00 C ATOM 514 CZ PHE A 35 2.251 34.367 26.310 1.00 1.00 C ATOM 0 H PHE A 35 -2.370 36.201 21.818 1.00 1.00 H new ATOM 0 HA PHE A 35 -1.690 34.086 23.505 1.00 1.00 H new ATOM 0 HB2 PHE A 35 -0.117 35.721 22.322 1.00 1.00 H new ATOM 0 HB3 PHE A 35 -0.620 36.973 23.440 1.00 1.00 H new ATOM 0 HD1 PHE A 35 1.237 33.784 23.114 1.00 1.00 H new ATOM 0 HD2 PHE A 35 0.172 36.996 25.756 1.00 1.00 H new ATOM 0 HE1 PHE A 35 2.744 32.861 24.852 1.00 1.00 H new ATOM 0 HE2 PHE A 35 1.638 36.045 27.513 1.00 1.00 H new ATOM 0 HZ PHE A 35 2.869 33.935 27.083 1.00 1.00 H new ATOM 524 N LYS A 36 -2.967 36.695 25.118 1.00 1.00 N ATOM 525 CA LYS A 36 -3.553 37.132 26.374 1.00 1.00 C ATOM 526 C LYS A 36 -4.742 36.279 26.813 1.00 1.00 C ATOM 527 O LYS A 36 -4.881 35.914 27.984 1.00 1.00 O ATOM 528 CB LYS A 36 -3.931 38.631 26.266 1.00 1.00 C ATOM 529 CG LYS A 36 -4.289 39.299 27.605 1.00 1.00 C ATOM 530 CD LYS A 36 -4.312 40.836 27.501 1.00 1.00 C ATOM 531 CE LYS A 36 -4.692 41.534 28.815 1.00 1.00 C ATOM 532 NZ LYS A 36 -4.482 42.989 28.719 1.00 1.00 N ATOM 0 H LYS A 36 -3.026 37.395 24.379 1.00 1.00 H new ATOM 0 HA LYS A 36 -2.805 37.001 27.156 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -3.097 39.171 25.817 1.00 1.00 H new ATOM 0 HB3 LYS A 36 -4.778 38.731 25.587 1.00 1.00 H new ATOM 0 HG2 LYS A 36 -5.265 38.944 27.936 1.00 1.00 H new ATOM 0 HG3 LYS A 36 -3.566 38.999 28.364 1.00 1.00 H new ATOM 0 HD2 LYS A 36 -3.329 41.185 27.184 1.00 1.00 H new ATOM 0 HD3 LYS A 36 -5.020 41.129 26.725 1.00 1.00 H new ATOM 0 HE2 LYS A 36 -5.736 41.328 29.052 1.00 1.00 H new ATOM 0 HE3 LYS A 36 -4.094 41.130 29.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 -4.746 43.438 29.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 -3.481 43.183 28.516 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 -5.071 43.375 27.954 1.00 1.00 H new ATOM 546 N LEU A 37 -5.612 35.896 25.856 1.00 1.00 N ATOM 547 CA LEU A 37 -6.682 34.936 26.061 1.00 1.00 C ATOM 548 C LEU A 37 -6.201 33.519 26.376 1.00 1.00 C ATOM 549 O LEU A 37 -6.687 32.873 27.304 1.00 1.00 O ATOM 550 CB LEU A 37 -7.592 34.929 24.809 1.00 1.00 C ATOM 551 CG LEU A 37 -8.852 34.039 24.884 1.00 1.00 C ATOM 552 CD1 LEU A 37 -9.748 34.374 26.087 1.00 1.00 C ATOM 553 CD2 LEU A 37 -9.652 34.163 23.579 1.00 1.00 C ATOM 0 H LEU A 37 -5.578 36.261 24.904 1.00 1.00 H new ATOM 0 HA LEU A 37 -7.233 35.257 26.945 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -7.908 35.953 24.610 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.996 34.607 23.955 1.00 1.00 H new ATOM 0 HG LEU A 37 -8.514 33.012 25.020 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -10.617 33.717 26.087 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -9.186 34.233 27.010 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -10.077 35.411 26.018 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -10.540 33.534 23.636 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -9.951 35.201 23.433 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -9.033 33.843 22.741 1.00 1.00 H new ATOM 565 N LEU A 38 -5.190 33.005 25.642 1.00 1.00 N ATOM 566 CA LEU A 38 -4.596 31.697 25.876 1.00 1.00 C ATOM 567 C LEU A 38 -3.930 31.580 27.241 1.00 1.00 C ATOM 568 O LEU A 38 -4.105 30.590 27.952 1.00 1.00 O ATOM 569 CB LEU A 38 -3.581 31.360 24.757 1.00 1.00 C ATOM 570 CG LEU A 38 -2.978 29.937 24.800 1.00 1.00 C ATOM 571 CD1 LEU A 38 -4.044 28.828 24.790 1.00 1.00 C ATOM 572 CD2 LEU A 38 -2.010 29.741 23.625 1.00 1.00 C ATOM 0 H LEU A 38 -4.766 33.506 24.861 1.00 1.00 H new ATOM 0 HA LEU A 38 -5.413 30.976 25.861 1.00 1.00 H new ATOM 0 HB2 LEU A 38 -4.073 31.497 23.794 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -2.765 32.081 24.804 1.00 1.00 H new ATOM 0 HG LEU A 38 -2.443 29.852 25.746 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -3.556 27.854 24.822 1.00 1.00 H new ATOM 0 HD12 LEU A 38 -4.691 28.938 25.660 1.00 1.00 H new ATOM 0 HD13 LEU A 38 -4.641 28.905 23.881 1.00 1.00 H new ATOM 0 HD21 LEU A 38 -1.590 28.736 23.663 1.00 1.00 H new ATOM 0 HD22 LEU A 38 -2.546 29.875 22.686 1.00 1.00 H new ATOM 0 HD23 LEU A 38 -1.205 30.473 23.691 1.00 1.00 H new ATOM 584 N HIS A 39 -3.203 32.630 27.677 1.00 1.00 N ATOM 585 CA HIS A 39 -2.635 32.726 29.014 1.00 1.00 C ATOM 586 C HIS A 39 -3.698 32.661 30.103 1.00 1.00 C ATOM 587 O HIS A 39 -3.527 31.974 31.111 1.00 1.00 O ATOM 588 CB HIS A 39 -1.828 34.040 29.179 1.00 1.00 C ATOM 589 CG HIS A 39 -1.126 34.193 30.506 1.00 1.00 C ATOM 590 ND1 HIS A 39 -1.025 35.449 31.088 1.00 1.00 N ATOM 591 CD2 HIS A 39 -0.508 33.264 31.284 1.00 1.00 C ATOM 592 CE1 HIS A 39 -0.350 35.250 32.211 1.00 1.00 C ATOM 593 NE2 HIS A 39 -0.014 33.950 32.374 1.00 1.00 N ATOM 0 H HIS A 39 -2.998 33.440 27.092 1.00 1.00 H new ATOM 0 HA HIS A 39 -1.974 31.866 29.127 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -1.085 34.095 28.383 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -2.504 34.884 29.043 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -0.422 32.205 31.088 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -0.098 36.032 32.912 1.00 1.00 H new ATOM 0 HE2 HIS A 39 0.507 33.552 33.156 1.00 1.00 H new ATOM 601 N PHE A 40 -4.850 33.339 29.907 1.00 1.00 N ATOM 602 CA PHE A 40 -5.972 33.273 30.825 1.00 1.00 C ATOM 603 C PHE A 40 -6.578 31.870 30.933 1.00 1.00 C ATOM 604 O PHE A 40 -6.799 31.364 32.034 1.00 1.00 O ATOM 605 CB PHE A 40 -7.060 34.309 30.422 1.00 1.00 C ATOM 606 CG PHE A 40 -8.064 34.473 31.531 1.00 1.00 C ATOM 607 CD1 PHE A 40 -7.704 35.136 32.715 1.00 1.00 C ATOM 608 CD2 PHE A 40 -9.342 33.899 31.428 1.00 1.00 C ATOM 609 CE1 PHE A 40 -8.599 35.204 33.791 1.00 1.00 C ATOM 610 CE2 PHE A 40 -10.239 33.969 32.500 1.00 1.00 C ATOM 611 CZ PHE A 40 -9.864 34.614 33.685 1.00 1.00 C ATOM 0 H PHE A 40 -5.013 33.944 29.102 1.00 1.00 H new ATOM 0 HA PHE A 40 -5.584 33.519 31.814 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -6.593 35.269 30.201 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -7.564 33.982 29.512 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -6.731 35.597 32.797 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.634 33.400 30.516 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -8.313 35.711 34.701 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -11.220 33.526 32.413 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.551 34.656 34.517 1.00 1.00 H new ATOM 621 N PHE A 41 -6.812 31.179 29.798 1.00 1.00 N ATOM 622 CA PHE A 41 -7.287 29.801 29.804 1.00 1.00 C ATOM 623 C PHE A 41 -6.316 28.798 30.422 1.00 1.00 C ATOM 624 O PHE A 41 -6.714 27.972 31.238 1.00 1.00 O ATOM 625 CB PHE A 41 -7.641 29.318 28.372 1.00 1.00 C ATOM 626 CG PHE A 41 -8.968 29.852 27.904 1.00 1.00 C ATOM 627 CD1 PHE A 41 -10.142 29.651 28.656 1.00 1.00 C ATOM 628 CD2 PHE A 41 -9.070 30.483 26.655 1.00 1.00 C ATOM 629 CE1 PHE A 41 -11.386 30.081 28.175 1.00 1.00 C ATOM 630 CE2 PHE A 41 -10.312 30.903 26.165 1.00 1.00 C ATOM 631 CZ PHE A 41 -11.471 30.709 26.926 1.00 1.00 C ATOM 0 H PHE A 41 -6.675 31.567 28.864 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.175 29.829 30.436 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -6.860 29.634 27.680 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.662 28.228 28.353 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -10.083 29.159 29.616 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -8.180 30.646 26.065 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.277 29.929 28.766 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.376 31.378 25.197 1.00 1.00 H new ATOM 0 HZ PHE A 41 -12.427 31.042 26.551 1.00 1.00 H new ATOM 641 N MET A 42 -5.010 28.857 30.097 1.00 1.00 N ATOM 642 CA MET A 42 -4.008 27.970 30.680 1.00 1.00 C ATOM 643 C MET A 42 -3.814 28.159 32.182 1.00 1.00 C ATOM 644 O MET A 42 -3.594 27.209 32.932 1.00 1.00 O ATOM 645 CB MET A 42 -2.655 28.089 29.943 1.00 1.00 C ATOM 646 CG MET A 42 -2.719 27.515 28.510 1.00 1.00 C ATOM 647 SD MET A 42 -1.136 27.494 27.613 1.00 1.00 S ATOM 648 CE MET A 42 -0.348 26.118 28.501 1.00 1.00 C ATOM 0 H MET A 42 -4.630 29.522 29.424 1.00 1.00 H new ATOM 0 HA MET A 42 -4.402 26.963 30.546 1.00 1.00 H new ATOM 0 HB2 MET A 42 -2.357 29.137 29.900 1.00 1.00 H new ATOM 0 HB3 MET A 42 -1.887 27.563 30.510 1.00 1.00 H new ATOM 0 HG2 MET A 42 -3.103 26.496 28.561 1.00 1.00 H new ATOM 0 HG3 MET A 42 -3.437 28.098 27.934 1.00 1.00 H new ATOM 0 HE1 MET A 42 0.567 25.828 27.984 1.00 1.00 H new ATOM 0 HE2 MET A 42 -0.107 26.431 29.517 1.00 1.00 H new ATOM 0 HE3 MET A 42 -1.030 25.269 28.535 1.00 1.00 H new ATOM 658 N THR A 43 -3.931 29.405 32.675 1.00 1.00 N ATOM 659 CA THR A 43 -3.917 29.687 34.110 1.00 1.00 C ATOM 660 C THR A 43 -5.221 29.313 34.801 1.00 1.00 C ATOM 661 O THR A 43 -5.256 29.188 36.024 1.00 1.00 O ATOM 662 CB THR A 43 -3.607 31.144 34.451 1.00 1.00 C ATOM 663 OG1 THR A 43 -4.409 32.056 33.714 1.00 1.00 O ATOM 664 CG2 THR A 43 -2.144 31.460 34.120 1.00 1.00 C ATOM 0 H THR A 43 -4.037 30.234 32.090 1.00 1.00 H new ATOM 0 HA THR A 43 -3.108 29.058 34.481 1.00 1.00 H new ATOM 0 HB THR A 43 -3.815 31.261 35.515 1.00 1.00 H new ATOM 0 HG1 THR A 43 -5.344 31.970 33.994 1.00 1.00 H new ATOM 0 HG21 THR A 43 -1.932 32.500 34.366 1.00 1.00 H new ATOM 0 HG22 THR A 43 -1.491 30.809 34.701 1.00 1.00 H new ATOM 0 HG23 THR A 43 -1.968 31.295 33.057 1.00 1.00 H new ATOM 672 N HIS A 44 -6.330 29.108 34.054 1.00 1.00 N ATOM 673 CA HIS A 44 -7.633 28.784 34.634 1.00 1.00 C ATOM 674 C HIS A 44 -8.367 27.630 33.931 1.00 1.00 C ATOM 675 O HIS A 44 -9.418 27.870 33.325 1.00 1.00 O ATOM 676 CB HIS A 44 -8.588 30.011 34.615 1.00 1.00 C ATOM 677 CG HIS A 44 -8.095 31.233 35.345 1.00 1.00 C ATOM 678 ND1 HIS A 44 -7.129 32.056 34.838 1.00 1.00 N ATOM 679 CD2 HIS A 44 -8.486 31.771 36.524 1.00 1.00 C ATOM 680 CE1 HIS A 44 -6.925 33.055 35.679 1.00 1.00 C ATOM 681 NE2 HIS A 44 -7.746 32.910 36.705 1.00 1.00 N ATOM 0 H HIS A 44 -6.336 29.165 33.036 1.00 1.00 H new ATOM 0 HA HIS A 44 -7.397 28.478 35.653 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -8.780 30.283 33.577 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -9.543 29.712 35.048 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -9.237 31.378 37.193 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -6.210 33.854 35.550 1.00 1.00 H new ATOM 0 HE2 HIS A 44 -7.817 33.543 37.502 1.00 1.00 H new ATOM 690 N PRO A 45 -7.919 26.375 33.978 1.00 1.00 N ATOM 691 CA PRO A 45 -8.635 25.246 33.390 1.00 1.00 C ATOM 692 C PRO A 45 -9.785 24.772 34.273 1.00 1.00 C ATOM 693 O PRO A 45 -9.821 25.080 35.469 1.00 1.00 O ATOM 694 CB PRO A 45 -7.540 24.168 33.299 1.00 1.00 C ATOM 695 CG PRO A 45 -6.654 24.435 34.519 1.00 1.00 C ATOM 696 CD PRO A 45 -6.665 25.961 34.615 1.00 1.00 C ATOM 0 HA PRO A 45 -9.099 25.493 32.435 1.00 1.00 H new ATOM 0 HB2 PRO A 45 -7.965 23.165 33.326 1.00 1.00 H new ATOM 0 HB3 PRO A 45 -6.975 24.250 32.370 1.00 1.00 H new ATOM 0 HG2 PRO A 45 -7.054 23.970 35.420 1.00 1.00 H new ATOM 0 HG3 PRO A 45 -5.646 24.045 34.380 1.00 1.00 H new ATOM 0 HD2 PRO A 45 -6.622 26.291 35.653 1.00 1.00 H new ATOM 0 HD3 PRO A 45 -5.803 26.394 34.107 1.00 1.00 H new ATOM 704 N GLU A 46 -10.745 24.034 33.675 1.00 1.00 N ATOM 705 CA GLU A 46 -11.908 23.416 34.296 1.00 1.00 C ATOM 706 C GLU A 46 -12.853 24.427 34.944 1.00 1.00 C ATOM 707 O GLU A 46 -13.373 24.229 36.042 1.00 1.00 O ATOM 708 CB GLU A 46 -11.529 22.258 35.266 1.00 1.00 C ATOM 709 CG GLU A 46 -11.177 20.899 34.597 1.00 1.00 C ATOM 710 CD GLU A 46 -12.396 20.106 34.163 1.00 1.00 C ATOM 711 OE1 GLU A 46 -13.337 19.910 34.975 1.00 1.00 O ATOM 712 OE2 GLU A 46 -12.454 19.654 32.987 1.00 1.00 O ATOM 0 H GLU A 46 -10.713 23.849 32.672 1.00 1.00 H new ATOM 0 HA GLU A 46 -12.467 22.964 33.477 1.00 1.00 H new ATOM 0 HB2 GLU A 46 -10.677 22.577 35.866 1.00 1.00 H new ATOM 0 HB3 GLU A 46 -12.360 22.098 35.953 1.00 1.00 H new ATOM 0 HG2 GLU A 46 -10.545 21.083 33.728 1.00 1.00 H new ATOM 0 HG3 GLU A 46 -10.593 20.300 35.295 1.00 1.00 H new ATOM 719 N ARG A 47 -13.104 25.555 34.254 1.00 1.00 N ATOM 720 CA ARG A 47 -13.968 26.603 34.755 1.00 1.00 C ATOM 721 C ARG A 47 -14.663 27.307 33.602 1.00 1.00 C ATOM 722 O ARG A 47 -14.027 27.661 32.610 1.00 1.00 O ATOM 723 CB ARG A 47 -13.113 27.632 35.540 1.00 1.00 C ATOM 724 CG ARG A 47 -13.887 28.802 36.179 1.00 1.00 C ATOM 725 CD ARG A 47 -14.848 28.365 37.283 1.00 1.00 C ATOM 726 NE ARG A 47 -15.550 29.593 37.751 1.00 1.00 N ATOM 727 CZ ARG A 47 -16.201 29.683 38.916 1.00 1.00 C ATOM 728 NH1 ARG A 47 -16.423 28.608 39.664 1.00 1.00 N ATOM 729 NH2 ARG A 47 -16.653 30.869 39.311 1.00 1.00 N ATOM 0 H ARG A 47 -12.707 25.751 33.335 1.00 1.00 H new ATOM 0 HA ARG A 47 -14.721 26.163 35.409 1.00 1.00 H new ATOM 0 HB2 ARG A 47 -12.576 27.104 36.328 1.00 1.00 H new ATOM 0 HB3 ARG A 47 -12.363 28.044 34.864 1.00 1.00 H new ATOM 0 HG2 ARG A 47 -13.175 29.517 36.590 1.00 1.00 H new ATOM 0 HG3 ARG A 47 -14.449 29.322 35.403 1.00 1.00 H new ATOM 0 HD2 ARG A 47 -15.561 27.631 36.907 1.00 1.00 H new ATOM 0 HD3 ARG A 47 -14.307 27.893 38.103 1.00 1.00 H new ATOM 0 HE ARG A 47 -15.533 30.414 37.147 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -16.095 27.694 39.353 1.00 1.00 H new ATOM 0 HH12 ARG A 47 -16.921 28.697 40.550 1.00 1.00 H new ATOM 0 HH21 ARG A 47 -16.501 31.692 38.728 1.00 1.00 H new ATOM 0 HH22 ARG A 47 -17.152 30.956 40.197 1.00 1.00 H new ATOM 743 N VAL A 48 -15.988 27.553 33.694 1.00 1.00 N ATOM 744 CA VAL A 48 -16.708 28.290 32.666 1.00 1.00 C ATOM 745 C VAL A 48 -16.614 29.785 32.917 1.00 1.00 C ATOM 746 O VAL A 48 -16.873 30.281 34.016 1.00 1.00 O ATOM 747 CB VAL A 48 -18.183 27.913 32.544 1.00 1.00 C ATOM 748 CG1 VAL A 48 -18.824 28.568 31.300 1.00 1.00 C ATOM 749 CG2 VAL A 48 -18.320 26.384 32.447 1.00 1.00 C ATOM 0 H VAL A 48 -16.569 27.247 34.474 1.00 1.00 H new ATOM 0 HA VAL A 48 -16.224 28.016 31.729 1.00 1.00 H new ATOM 0 HB VAL A 48 -18.702 28.277 33.431 1.00 1.00 H new ATOM 0 HG11 VAL A 48 -19.874 28.282 31.239 1.00 1.00 H new ATOM 0 HG12 VAL A 48 -18.747 29.652 31.379 1.00 1.00 H new ATOM 0 HG13 VAL A 48 -18.304 28.232 30.403 1.00 1.00 H new ATOM 0 HG21 VAL A 48 -19.373 26.118 32.360 1.00 1.00 H new ATOM 0 HG22 VAL A 48 -17.782 26.025 31.570 1.00 1.00 H new ATOM 0 HG23 VAL A 48 -17.902 25.924 33.342 1.00 1.00 H new ATOM 759 N TYR A 49 -16.245 30.527 31.867 1.00 1.00 N ATOM 760 CA TYR A 49 -16.159 31.970 31.844 1.00 1.00 C ATOM 761 C TYR A 49 -17.076 32.462 30.761 1.00 1.00 C ATOM 762 O TYR A 49 -17.020 32.035 29.607 1.00 1.00 O ATOM 763 CB TYR A 49 -14.727 32.464 31.524 1.00 1.00 C ATOM 764 CG TYR A 49 -13.830 32.206 32.694 1.00 1.00 C ATOM 765 CD1 TYR A 49 -13.881 33.053 33.814 1.00 1.00 C ATOM 766 CD2 TYR A 49 -12.939 31.119 32.699 1.00 1.00 C ATOM 767 CE1 TYR A 49 -13.055 32.822 34.922 1.00 1.00 C ATOM 768 CE2 TYR A 49 -12.109 30.889 33.806 1.00 1.00 C ATOM 769 CZ TYR A 49 -12.169 31.740 34.916 1.00 1.00 C ATOM 770 OH TYR A 49 -11.356 31.498 36.039 1.00 1.00 O ATOM 0 H TYR A 49 -15.989 30.106 30.974 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.434 32.349 32.828 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -14.345 31.952 30.641 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -14.743 33.529 31.294 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -14.563 33.890 33.821 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -12.893 30.458 31.846 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -13.102 33.478 35.779 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -11.423 30.055 33.802 1.00 1.00 H new ATOM 0 HH TYR A 49 -11.921 31.340 36.824 1.00 1.00 H new ATOM 780 N SER A 50 -17.969 33.391 31.126 1.00 1.00 N ATOM 781 CA SER A 50 -18.822 34.075 30.181 1.00 1.00 C ATOM 782 C SER A 50 -18.061 35.118 29.392 1.00 1.00 C ATOM 783 O SER A 50 -16.951 35.522 29.746 1.00 1.00 O ATOM 784 CB SER A 50 -20.067 34.696 30.854 1.00 1.00 C ATOM 785 OG SER A 50 -19.742 35.776 31.732 1.00 1.00 O ATOM 0 H SER A 50 -18.111 33.681 32.093 1.00 1.00 H new ATOM 0 HA SER A 50 -19.175 33.316 29.483 1.00 1.00 H new ATOM 0 HB2 SER A 50 -20.750 35.053 30.084 1.00 1.00 H new ATOM 0 HB3 SER A 50 -20.594 33.924 31.415 1.00 1.00 H new ATOM 0 HG SER A 50 -20.564 36.133 32.129 1.00 1.00 H new ATOM 791 N ARG A 51 -18.638 35.599 28.273 1.00 1.00 N ATOM 792 CA ARG A 51 -18.038 36.634 27.451 1.00 1.00 C ATOM 793 C ARG A 51 -17.837 37.932 28.227 1.00 1.00 C ATOM 794 O ARG A 51 -16.819 38.600 28.074 1.00 1.00 O ATOM 795 CB ARG A 51 -18.853 36.830 26.153 1.00 1.00 C ATOM 796 CG ARG A 51 -18.815 35.570 25.261 1.00 1.00 C ATOM 797 CD ARG A 51 -19.836 35.576 24.121 1.00 1.00 C ATOM 798 NE ARG A 51 -19.695 34.270 23.399 1.00 1.00 N ATOM 799 CZ ARG A 51 -20.401 33.167 23.665 1.00 1.00 C ATOM 800 NH1 ARG A 51 -21.148 33.012 24.751 1.00 1.00 N ATOM 801 NH2 ARG A 51 -20.349 32.165 22.795 1.00 1.00 N ATOM 0 H ARG A 51 -19.538 35.270 27.924 1.00 1.00 H new ATOM 0 HA ARG A 51 -17.039 36.307 27.161 1.00 1.00 H new ATOM 0 HB2 ARG A 51 -19.887 37.067 26.404 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -18.456 37.681 25.599 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -17.816 35.468 24.838 1.00 1.00 H new ATOM 0 HG3 ARG A 51 -18.988 34.692 25.884 1.00 1.00 H new ATOM 0 HD2 ARG A 51 -20.847 35.694 24.510 1.00 1.00 H new ATOM 0 HD3 ARG A 51 -19.654 36.412 23.445 1.00 1.00 H new ATOM 0 HE ARG A 51 -19.008 34.219 22.647 1.00 1.00 H new ATOM 0 HH11 ARG A 51 -21.206 33.761 25.441 1.00 1.00 H new ATOM 0 HH12 ARG A 51 -21.664 32.144 24.896 1.00 1.00 H new ATOM 0 HH21 ARG A 51 -19.781 32.251 21.952 1.00 1.00 H new ATOM 0 HH22 ARG A 51 -20.877 31.310 22.970 1.00 1.00 H new ATOM 815 N GLU A 52 -18.757 38.258 29.158 1.00 1.00 N ATOM 816 CA GLU A 52 -18.604 39.330 30.126 1.00 1.00 C ATOM 817 C GLU A 52 -17.368 39.194 31.022 1.00 1.00 C ATOM 818 O GLU A 52 -16.623 40.163 31.202 1.00 1.00 O ATOM 819 CB GLU A 52 -19.879 39.368 31.004 1.00 1.00 C ATOM 820 CG GLU A 52 -19.918 40.450 32.107 1.00 1.00 C ATOM 821 CD GLU A 52 -21.200 40.352 32.907 1.00 1.00 C ATOM 822 OE1 GLU A 52 -22.291 40.682 32.369 1.00 1.00 O ATOM 823 OE2 GLU A 52 -21.143 39.950 34.099 1.00 1.00 O ATOM 0 H GLU A 52 -19.644 37.762 29.248 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.463 40.255 29.567 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -20.740 39.513 30.351 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -19.998 38.393 31.477 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -19.060 40.333 32.769 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -19.839 41.439 31.656 1.00 1.00 H new ATOM 830 N GLN A 53 -17.068 37.991 31.578 1.00 1.00 N ATOM 831 CA GLN A 53 -15.847 37.789 32.346 1.00 1.00 C ATOM 832 C GLN A 53 -14.588 37.911 31.499 1.00 1.00 C ATOM 833 O GLN A 53 -13.608 38.549 31.885 1.00 1.00 O ATOM 834 CB GLN A 53 -15.836 36.410 33.049 1.00 1.00 C ATOM 835 CG GLN A 53 -17.001 36.183 34.039 1.00 1.00 C ATOM 836 CD GLN A 53 -17.055 37.247 35.131 1.00 1.00 C ATOM 837 OE1 GLN A 53 -16.058 37.566 35.786 1.00 1.00 O ATOM 838 NE2 GLN A 53 -18.250 37.832 35.354 1.00 1.00 N ATOM 0 H GLN A 53 -17.660 37.164 31.501 1.00 1.00 H new ATOM 0 HA GLN A 53 -15.842 38.585 33.091 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -15.865 35.629 32.289 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -14.894 36.298 33.585 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -17.944 36.181 33.492 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -16.897 35.200 34.499 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -19.063 37.556 34.804 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -18.340 38.550 36.073 1.00 1.00 H new ATOM 847 N LEU A 54 -14.603 37.329 30.284 1.00 1.00 N ATOM 848 CA LEU A 54 -13.507 37.421 29.334 1.00 1.00 C ATOM 849 C LEU A 54 -13.223 38.854 28.891 1.00 1.00 C ATOM 850 O LEU A 54 -12.066 39.263 28.807 1.00 1.00 O ATOM 851 CB LEU A 54 -13.739 36.501 28.111 1.00 1.00 C ATOM 852 CG LEU A 54 -13.834 34.996 28.457 1.00 1.00 C ATOM 853 CD1 LEU A 54 -14.186 34.172 27.210 1.00 1.00 C ATOM 854 CD2 LEU A 54 -12.550 34.445 29.100 1.00 1.00 C ATOM 0 H LEU A 54 -15.391 36.778 29.943 1.00 1.00 H new ATOM 0 HA LEU A 54 -12.619 37.073 29.862 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -14.658 36.806 27.611 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -12.926 36.648 27.401 1.00 1.00 H new ATOM 0 HG LEU A 54 -14.631 34.903 29.195 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -14.248 33.117 27.477 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -15.146 34.503 26.814 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -13.414 34.310 26.453 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -12.679 33.385 29.319 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -11.714 34.574 28.412 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -12.346 34.985 30.025 1.00 1.00 H new ATOM 866 N LEU A 55 -14.265 39.681 28.660 1.00 1.00 N ATOM 867 CA LEU A 55 -14.126 41.104 28.393 1.00 1.00 C ATOM 868 C LEU A 55 -13.445 41.884 29.512 1.00 1.00 C ATOM 869 O LEU A 55 -12.589 42.725 29.241 1.00 1.00 O ATOM 870 CB LEU A 55 -15.477 41.762 28.015 1.00 1.00 C ATOM 871 CG LEU A 55 -15.979 41.399 26.597 1.00 1.00 C ATOM 872 CD1 LEU A 55 -17.408 41.916 26.374 1.00 1.00 C ATOM 873 CD2 LEU A 55 -15.058 41.940 25.494 1.00 1.00 C ATOM 0 H LEU A 55 -15.234 39.362 28.657 1.00 1.00 H new ATOM 0 HA LEU A 55 -13.460 41.158 27.532 1.00 1.00 H new ATOM 0 HB2 LEU A 55 -16.231 41.464 28.744 1.00 1.00 H new ATOM 0 HB3 LEU A 55 -15.375 42.845 28.087 1.00 1.00 H new ATOM 0 HG LEU A 55 -15.972 40.311 26.535 1.00 1.00 H new ATOM 0 HD11 LEU A 55 -17.739 41.649 25.370 1.00 1.00 H new ATOM 0 HD12 LEU A 55 -18.076 41.466 27.108 1.00 1.00 H new ATOM 0 HD13 LEU A 55 -17.424 43.000 26.485 1.00 1.00 H new ATOM 0 HD21 LEU A 55 -15.454 41.658 24.518 1.00 1.00 H new ATOM 0 HD22 LEU A 55 -15.005 43.026 25.564 1.00 1.00 H new ATOM 0 HD23 LEU A 55 -14.060 41.520 25.615 1.00 1.00 H new ATOM 885 N ASN A 56 -13.744 41.613 30.802 1.00 1.00 N ATOM 886 CA ASN A 56 -12.965 42.203 31.885 1.00 1.00 C ATOM 887 C ASN A 56 -11.521 41.689 31.937 1.00 1.00 C ATOM 888 O ASN A 56 -10.574 42.469 31.995 1.00 1.00 O ATOM 889 CB ASN A 56 -13.678 41.985 33.250 1.00 1.00 C ATOM 890 CG ASN A 56 -13.076 42.824 34.382 1.00 1.00 C ATOM 891 OD1 ASN A 56 -12.448 43.868 34.179 1.00 1.00 O ATOM 892 ND2 ASN A 56 -13.277 42.366 35.636 1.00 1.00 N ATOM 0 H ASN A 56 -14.504 41.002 31.103 1.00 1.00 H new ATOM 0 HA ASN A 56 -12.903 43.272 31.680 1.00 1.00 H new ATOM 0 HB2 ASN A 56 -14.735 42.232 33.145 1.00 1.00 H new ATOM 0 HB3 ASN A 56 -13.622 40.930 33.518 1.00 1.00 H new ATOM 0 HD21 ASN A 56 -12.908 42.884 36.433 1.00 1.00 H new ATOM 0 HD22 ASN A 56 -13.798 41.502 35.786 1.00 1.00 H new ATOM 899 N HIS A 57 -11.300 40.362 31.874 1.00 1.00 N ATOM 900 CA HIS A 57 -9.960 39.802 31.993 1.00 1.00 C ATOM 901 C HIS A 57 -9.011 40.096 30.839 1.00 1.00 C ATOM 902 O HIS A 57 -7.852 40.452 31.063 1.00 1.00 O ATOM 903 CB HIS A 57 -10.009 38.280 32.246 1.00 1.00 C ATOM 904 CG HIS A 57 -10.519 37.963 33.619 1.00 1.00 C ATOM 905 ND1 HIS A 57 -9.766 38.358 34.712 1.00 1.00 N ATOM 906 CD2 HIS A 57 -11.645 37.320 34.028 1.00 1.00 C ATOM 907 CE1 HIS A 57 -10.447 37.940 35.764 1.00 1.00 C ATOM 908 NE2 HIS A 57 -11.591 37.312 35.404 1.00 1.00 N ATOM 0 H HIS A 57 -12.036 39.668 31.742 1.00 1.00 H new ATOM 0 HA HIS A 57 -9.542 40.323 32.854 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -10.650 37.808 31.502 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -9.012 37.858 32.122 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -12.421 36.902 33.403 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -10.130 38.082 36.787 1.00 1.00 H new ATOM 0 HE2 HIS A 57 -12.284 36.908 36.034 1.00 1.00 H new ATOM 916 N VAL A 58 -9.471 39.974 29.579 1.00 1.00 N ATOM 917 CA VAL A 58 -8.592 40.029 28.418 1.00 1.00 C ATOM 918 C VAL A 58 -8.669 41.376 27.718 1.00 1.00 C ATOM 919 O VAL A 58 -7.657 41.914 27.270 1.00 1.00 O ATOM 920 CB VAL A 58 -8.930 38.888 27.460 1.00 1.00 C ATOM 921 CG1 VAL A 58 -8.099 38.950 26.161 1.00 1.00 C ATOM 922 CG2 VAL A 58 -8.675 37.551 28.188 1.00 1.00 C ATOM 0 H VAL A 58 -10.455 39.836 29.349 1.00 1.00 H new ATOM 0 HA VAL A 58 -7.564 39.910 28.760 1.00 1.00 H new ATOM 0 HB VAL A 58 -9.977 38.978 27.169 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -8.375 38.119 25.512 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -8.296 39.891 25.648 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -7.038 38.884 26.404 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -8.911 36.722 27.520 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -7.628 37.492 28.484 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -9.306 37.493 29.075 1.00 1.00 H new ATOM 932 N TRP A 59 -9.856 42.013 27.653 1.00 1.00 N ATOM 933 CA TRP A 59 -9.999 43.296 26.975 1.00 1.00 C ATOM 934 C TRP A 59 -9.959 44.458 27.963 1.00 1.00 C ATOM 935 O TRP A 59 -9.773 45.611 27.589 1.00 1.00 O ATOM 936 CB TRP A 59 -11.297 43.327 26.127 1.00 1.00 C ATOM 937 CG TRP A 59 -11.186 42.567 24.808 1.00 1.00 C ATOM 938 CD1 TRP A 59 -10.862 43.073 23.577 1.00 1.00 C ATOM 939 CD2 TRP A 59 -11.394 41.151 24.615 1.00 1.00 C ATOM 940 NE1 TRP A 59 -10.857 42.069 22.632 1.00 1.00 N ATOM 941 CE2 TRP A 59 -11.184 40.885 23.246 1.00 1.00 C ATOM 942 CE3 TRP A 59 -11.735 40.127 25.493 1.00 1.00 C ATOM 943 CZ2 TRP A 59 -11.317 39.599 22.740 1.00 1.00 C ATOM 944 CZ3 TRP A 59 -11.885 38.829 24.980 1.00 1.00 C ATOM 945 CH2 TRP A 59 -11.683 38.566 23.618 1.00 1.00 C ATOM 0 H TRP A 59 -10.718 41.654 28.062 1.00 1.00 H new ATOM 0 HA TRP A 59 -9.150 43.413 26.301 1.00 1.00 H new ATOM 0 HB2 TRP A 59 -12.113 42.904 26.712 1.00 1.00 H new ATOM 0 HB3 TRP A 59 -11.559 44.364 25.918 1.00 1.00 H new ATOM 0 HD1 TRP A 59 -10.642 44.111 23.375 1.00 1.00 H new ATOM 0 HE1 TRP A 59 -10.645 42.186 21.641 1.00 1.00 H new ATOM 0 HE3 TRP A 59 -11.881 40.326 26.544 1.00 1.00 H new ATOM 0 HZ2 TRP A 59 -11.143 39.397 21.693 1.00 1.00 H new ATOM 0 HZ3 TRP A 59 -12.160 38.022 25.643 1.00 1.00 H new ATOM 0 HH2 TRP A 59 -11.810 37.562 23.241 1.00 1.00 H new ATOM 956 N GLY A 60 -10.037 44.177 29.273 1.00 1.00 N ATOM 957 CA GLY A 60 -9.716 45.115 30.346 1.00 1.00 C ATOM 958 C GLY A 60 -10.858 45.947 30.853 1.00 1.00 C ATOM 959 O GLY A 60 -10.666 46.796 31.718 1.00 1.00 O ATOM 0 H GLY A 60 -10.334 43.264 29.619 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -9.302 44.552 31.183 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -8.932 45.785 29.994 1.00 1.00 H new ATOM 963 N THR A 61 -12.073 45.744 30.311 1.00 1.00 N ATOM 964 CA THR A 61 -13.332 46.447 30.604 1.00 1.00 C ATOM 965 C THR A 61 -13.384 47.939 30.284 1.00 1.00 C ATOM 966 O THR A 61 -14.451 48.481 30.006 1.00 1.00 O ATOM 967 CB THR A 61 -13.975 46.125 31.967 1.00 1.00 C ATOM 968 OG1 THR A 61 -15.392 46.029 31.872 1.00 1.00 O ATOM 969 CG2 THR A 61 -13.674 47.154 33.062 1.00 1.00 C ATOM 0 H THR A 61 -12.209 45.026 29.600 1.00 1.00 H new ATOM 0 HA THR A 61 -13.972 45.987 29.851 1.00 1.00 H new ATOM 0 HB THR A 61 -13.527 45.171 32.245 1.00 1.00 H new ATOM 0 HG1 THR A 61 -15.766 45.822 32.754 1.00 1.00 H new ATOM 0 HG21 THR A 61 -14.163 46.853 33.988 1.00 1.00 H new ATOM 0 HG22 THR A 61 -12.597 47.211 33.222 1.00 1.00 H new ATOM 0 HG23 THR A 61 -14.047 48.131 32.755 1.00 1.00 H new ATOM 977 N ASN A 62 -12.242 48.665 30.241 1.00 1.00 N ATOM 978 CA ASN A 62 -12.169 50.020 29.710 1.00 1.00 C ATOM 979 C ASN A 62 -12.438 50.041 28.209 1.00 1.00 C ATOM 980 O ASN A 62 -13.181 50.876 27.688 1.00 1.00 O ATOM 981 CB ASN A 62 -10.832 50.738 30.069 1.00 1.00 C ATOM 982 CG ASN A 62 -9.587 50.078 29.472 1.00 1.00 C ATOM 983 OD1 ASN A 62 -9.288 48.905 29.712 1.00 1.00 O ATOM 984 ND2 ASN A 62 -8.839 50.842 28.645 1.00 1.00 N ATOM 0 H ASN A 62 -11.347 48.312 30.579 1.00 1.00 H new ATOM 0 HA ASN A 62 -12.959 50.591 30.198 1.00 1.00 H new ATOM 0 HB2 ASN A 62 -10.883 51.771 29.724 1.00 1.00 H new ATOM 0 HB3 ASN A 62 -10.729 50.769 31.154 1.00 1.00 H new ATOM 0 HD21 ASN A 62 -8.007 50.451 28.204 1.00 1.00 H new ATOM 0 HD22 ASN A 62 -9.107 51.809 28.462 1.00 1.00 H new ATOM 991 N VAL A 63 -11.861 49.065 27.482 1.00 1.00 N ATOM 992 CA VAL A 63 -12.124 48.809 26.080 1.00 1.00 C ATOM 993 C VAL A 63 -13.582 48.455 25.835 1.00 1.00 C ATOM 994 O VAL A 63 -14.199 47.680 26.569 1.00 1.00 O ATOM 995 CB VAL A 63 -11.221 47.710 25.533 1.00 1.00 C ATOM 996 CG1 VAL A 63 -11.457 47.439 24.031 1.00 1.00 C ATOM 997 CG2 VAL A 63 -9.751 48.122 25.756 1.00 1.00 C ATOM 0 H VAL A 63 -11.179 48.420 27.881 1.00 1.00 H new ATOM 0 HA VAL A 63 -11.904 49.734 25.548 1.00 1.00 H new ATOM 0 HB VAL A 63 -11.456 46.788 26.065 1.00 1.00 H new ATOM 0 HG11 VAL A 63 -10.787 46.648 23.694 1.00 1.00 H new ATOM 0 HG12 VAL A 63 -12.491 47.131 23.875 1.00 1.00 H new ATOM 0 HG13 VAL A 63 -11.260 48.347 23.462 1.00 1.00 H new ATOM 0 HG21 VAL A 63 -9.092 47.344 25.369 1.00 1.00 H new ATOM 0 HG22 VAL A 63 -9.552 49.058 25.234 1.00 1.00 H new ATOM 0 HG23 VAL A 63 -9.568 48.255 26.822 1.00 1.00 H new ATOM 1007 N TYR A 64 -14.164 49.034 24.774 1.00 1.00 N ATOM 1008 CA TYR A 64 -15.550 48.817 24.404 1.00 1.00 C ATOM 1009 C TYR A 64 -15.659 48.189 23.028 1.00 1.00 C ATOM 1010 O TYR A 64 -15.197 48.711 22.009 1.00 1.00 O ATOM 1011 CB TYR A 64 -16.480 50.053 24.573 1.00 1.00 C ATOM 1012 CG TYR A 64 -15.969 51.312 23.925 1.00 1.00 C ATOM 1013 CD1 TYR A 64 -15.165 52.207 24.651 1.00 1.00 C ATOM 1014 CD2 TYR A 64 -16.325 51.637 22.605 1.00 1.00 C ATOM 1015 CE1 TYR A 64 -14.697 53.388 24.058 1.00 1.00 C ATOM 1016 CE2 TYR A 64 -15.862 52.820 22.012 1.00 1.00 C ATOM 1017 CZ TYR A 64 -15.036 53.687 22.736 1.00 1.00 C ATOM 1018 OH TYR A 64 -14.536 54.852 22.123 1.00 1.00 O ATOM 0 H TYR A 64 -13.671 49.671 24.149 1.00 1.00 H new ATOM 0 HA TYR A 64 -15.934 48.105 25.135 1.00 1.00 H new ATOM 0 HB2 TYR A 64 -17.458 49.816 24.155 1.00 1.00 H new ATOM 0 HB3 TYR A 64 -16.625 50.240 25.637 1.00 1.00 H new ATOM 0 HD1 TYR A 64 -14.905 51.983 25.675 1.00 1.00 H new ATOM 0 HD2 TYR A 64 -16.961 50.970 22.042 1.00 1.00 H new ATOM 0 HE1 TYR A 64 -14.075 54.066 24.623 1.00 1.00 H new ATOM 0 HE2 TYR A 64 -16.143 53.062 20.998 1.00 1.00 H new ATOM 0 HH TYR A 64 -14.869 54.906 21.203 1.00 1.00 H new ATOM 1028 N VAL A 65 -16.278 47.001 23.012 1.00 1.00 N ATOM 1029 CA VAL A 65 -16.485 46.156 21.853 1.00 1.00 C ATOM 1030 C VAL A 65 -17.755 45.352 22.077 1.00 1.00 C ATOM 1031 O VAL A 65 -18.179 45.094 23.207 1.00 1.00 O ATOM 1032 CB VAL A 65 -15.344 45.183 21.532 1.00 1.00 C ATOM 1033 CG1 VAL A 65 -14.106 45.923 21.013 1.00 1.00 C ATOM 1034 CG2 VAL A 65 -14.929 44.355 22.754 1.00 1.00 C ATOM 0 H VAL A 65 -16.666 46.591 23.861 1.00 1.00 H new ATOM 0 HA VAL A 65 -16.544 46.829 20.998 1.00 1.00 H new ATOM 0 HB VAL A 65 -15.730 44.516 20.761 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -13.317 45.203 20.795 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -14.362 46.467 20.104 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -13.758 46.625 21.770 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -14.118 43.681 22.478 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -14.592 45.022 23.548 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -15.781 43.773 23.106 1.00 1.00 H new ATOM 1044 N GLU A 66 -18.406 44.935 20.977 1.00 1.00 N ATOM 1045 CA GLU A 66 -19.513 44.009 20.973 1.00 1.00 C ATOM 1046 C GLU A 66 -19.110 42.645 21.505 1.00 1.00 C ATOM 1047 O GLU A 66 -17.966 42.208 21.389 1.00 1.00 O ATOM 1048 CB GLU A 66 -20.100 43.850 19.551 1.00 1.00 C ATOM 1049 CG GLU A 66 -20.636 45.165 18.937 1.00 1.00 C ATOM 1050 CD GLU A 66 -21.948 45.612 19.568 1.00 1.00 C ATOM 1051 OE1 GLU A 66 -23.049 45.175 19.281 1.00 1.00 O ATOM 1052 OE2 GLU A 66 -21.803 46.565 20.549 1.00 1.00 O ATOM 0 H GLU A 66 -18.154 45.255 20.042 1.00 1.00 H new ATOM 0 HA GLU A 66 -20.273 44.428 21.632 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -19.330 43.443 18.895 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -20.909 43.121 19.583 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -19.891 45.950 19.062 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -20.780 45.029 17.865 1.00 1.00 H new ATOM 1060 N ASP A 67 -20.060 41.908 22.104 1.00 1.00 N ATOM 1061 CA ASP A 67 -19.778 40.669 22.806 1.00 1.00 C ATOM 1062 C ASP A 67 -19.273 39.550 21.891 1.00 1.00 C ATOM 1063 O ASP A 67 -18.652 38.587 22.333 1.00 1.00 O ATOM 1064 CB ASP A 67 -21.055 40.208 23.547 1.00 1.00 C ATOM 1065 CG ASP A 67 -21.496 41.277 24.516 1.00 1.00 C ATOM 1066 OD1 ASP A 67 -20.764 41.561 25.500 1.00 1.00 O ATOM 1067 OD2 ASP A 67 -22.591 41.863 24.318 1.00 1.00 O ATOM 0 H ASP A 67 -21.047 42.166 22.108 1.00 1.00 H new ATOM 0 HA ASP A 67 -18.971 40.874 23.510 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -21.850 40.004 22.829 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -20.861 39.278 24.081 1.00 1.00 H new ATOM 1072 N ARG A 68 -19.484 39.683 20.566 1.00 1.00 N ATOM 1073 CA ARG A 68 -19.138 38.671 19.597 1.00 1.00 C ATOM 1074 C ARG A 68 -17.782 38.875 18.948 1.00 1.00 C ATOM 1075 O ARG A 68 -17.409 38.108 18.062 1.00 1.00 O ATOM 1076 CB ARG A 68 -20.229 38.581 18.504 1.00 1.00 C ATOM 1077 CG ARG A 68 -21.593 38.109 19.042 1.00 1.00 C ATOM 1078 CD ARG A 68 -21.557 36.684 19.604 1.00 1.00 C ATOM 1079 NE ARG A 68 -22.915 36.369 20.120 1.00 1.00 N ATOM 1080 CZ ARG A 68 -23.153 35.301 20.888 1.00 1.00 C ATOM 1081 NH1 ARG A 68 -22.261 34.329 21.066 1.00 1.00 N ATOM 1082 NH2 ARG A 68 -24.318 35.145 21.507 1.00 1.00 N ATOM 0 H ARG A 68 -19.906 40.514 20.152 1.00 1.00 H new ATOM 0 HA ARG A 68 -19.076 37.736 20.154 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -20.349 39.559 18.038 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -19.897 37.895 17.724 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -21.925 38.793 19.823 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -22.330 38.159 18.240 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -21.268 35.974 18.829 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -20.817 36.605 20.401 1.00 1.00 H new ATOM 0 HE ARG A 68 -23.690 36.987 19.880 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -21.352 34.381 20.607 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -22.487 33.532 21.662 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -25.050 35.847 21.401 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -24.480 34.323 22.089 1.00 1.00 H new ATOM 1096 N THR A 69 -16.943 39.850 19.379 1.00 1.00 N ATOM 1097 CA THR A 69 -15.528 39.767 19.000 1.00 1.00 C ATOM 1098 C THR A 69 -14.803 38.706 19.822 1.00 1.00 C ATOM 1099 O THR A 69 -13.782 38.156 19.410 1.00 1.00 O ATOM 1100 CB THR A 69 -14.803 41.107 18.972 1.00 1.00 C ATOM 1101 OG1 THR A 69 -13.500 41.008 18.407 1.00 1.00 O ATOM 1102 CG2 THR A 69 -14.617 41.746 20.336 1.00 1.00 C ATOM 0 H THR A 69 -17.206 40.651 19.953 1.00 1.00 H new ATOM 0 HA THR A 69 -15.510 39.446 17.959 1.00 1.00 H new ATOM 0 HB THR A 69 -15.462 41.726 18.362 1.00 1.00 H new ATOM 0 HG1 THR A 69 -13.075 41.891 18.409 1.00 1.00 H new ATOM 0 HG21 THR A 69 -14.093 42.695 20.225 1.00 1.00 H new ATOM 0 HG22 THR A 69 -15.592 41.921 20.792 1.00 1.00 H new ATOM 0 HG23 THR A 69 -14.033 41.081 20.973 1.00 1.00 H new ATOM 1110 N VAL A 70 -15.376 38.293 20.978 1.00 1.00 N ATOM 1111 CA VAL A 70 -14.896 37.144 21.735 1.00 1.00 C ATOM 1112 C VAL A 70 -15.005 35.847 20.931 1.00 1.00 C ATOM 1113 O VAL A 70 -14.023 35.126 20.777 1.00 1.00 O ATOM 1114 CB VAL A 70 -15.628 36.988 23.068 1.00 1.00 C ATOM 1115 CG1 VAL A 70 -14.953 35.890 23.915 1.00 1.00 C ATOM 1116 CG2 VAL A 70 -15.608 38.324 23.841 1.00 1.00 C ATOM 0 H VAL A 70 -16.182 38.755 21.399 1.00 1.00 H new ATOM 0 HA VAL A 70 -13.843 37.337 21.942 1.00 1.00 H new ATOM 0 HB VAL A 70 -16.662 36.704 22.870 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -15.481 35.786 24.863 1.00 1.00 H new ATOM 0 HG12 VAL A 70 -14.985 34.943 23.376 1.00 1.00 H new ATOM 0 HG13 VAL A 70 -13.915 36.164 24.106 1.00 1.00 H new ATOM 0 HG21 VAL A 70 -16.132 38.204 24.789 1.00 1.00 H new ATOM 0 HG22 VAL A 70 -14.576 38.619 24.031 1.00 1.00 H new ATOM 0 HG23 VAL A 70 -16.102 39.094 23.249 1.00 1.00 H new ATOM 1126 N ASP A 71 -16.173 35.579 20.309 1.00 1.00 N ATOM 1127 CA ASP A 71 -16.446 34.428 19.456 1.00 1.00 C ATOM 1128 C ASP A 71 -15.504 34.326 18.260 1.00 1.00 C ATOM 1129 O ASP A 71 -14.986 33.255 17.938 1.00 1.00 O ATOM 1130 CB ASP A 71 -17.886 34.518 18.867 1.00 1.00 C ATOM 1131 CG ASP A 71 -18.976 34.457 19.913 1.00 1.00 C ATOM 1132 OD1 ASP A 71 -18.841 35.090 20.986 1.00 1.00 O ATOM 1133 OD2 ASP A 71 -20.031 33.826 19.637 1.00 1.00 O ATOM 0 H ASP A 71 -16.981 36.194 20.399 1.00 1.00 H new ATOM 0 HA ASP A 71 -16.313 33.558 20.099 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -17.983 35.449 18.308 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -18.030 33.704 18.157 1.00 1.00 H new ATOM 1138 N VAL A 72 -15.252 35.465 17.589 1.00 1.00 N ATOM 1139 CA VAL A 72 -14.311 35.609 16.488 1.00 1.00 C ATOM 1140 C VAL A 72 -12.870 35.347 16.916 1.00 1.00 C ATOM 1141 O VAL A 72 -12.130 34.605 16.276 1.00 1.00 O ATOM 1142 CB VAL A 72 -14.482 36.992 15.867 1.00 1.00 C ATOM 1143 CG1 VAL A 72 -13.375 37.322 14.850 1.00 1.00 C ATOM 1144 CG2 VAL A 72 -15.861 37.022 15.173 1.00 1.00 C ATOM 0 H VAL A 72 -15.724 36.340 17.817 1.00 1.00 H new ATOM 0 HA VAL A 72 -14.533 34.851 15.737 1.00 1.00 H new ATOM 0 HB VAL A 72 -14.413 37.744 16.653 1.00 1.00 H new ATOM 0 HG11 VAL A 72 -13.544 38.317 14.438 1.00 1.00 H new ATOM 0 HG12 VAL A 72 -12.405 37.295 15.346 1.00 1.00 H new ATOM 0 HG13 VAL A 72 -13.391 36.588 14.044 1.00 1.00 H new ATOM 0 HG21 VAL A 72 -16.017 37.999 14.717 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -15.897 36.252 14.403 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -16.643 36.836 15.909 1.00 1.00 H new ATOM 1154 N HIS A 73 -12.440 35.890 18.068 1.00 1.00 N ATOM 1155 CA HIS A 73 -11.121 35.628 18.625 1.00 1.00 C ATOM 1156 C HIS A 73 -10.925 34.184 19.086 1.00 1.00 C ATOM 1157 O HIS A 73 -9.863 33.600 18.889 1.00 1.00 O ATOM 1158 CB HIS A 73 -10.832 36.603 19.781 1.00 1.00 C ATOM 1159 CG HIS A 73 -10.440 37.972 19.287 1.00 1.00 C ATOM 1160 ND1 HIS A 73 -9.161 38.223 18.890 1.00 1.00 N ATOM 1161 CD2 HIS A 73 -11.083 39.162 19.282 1.00 1.00 C ATOM 1162 CE1 HIS A 73 -9.005 39.513 18.678 1.00 1.00 C ATOM 1163 NE2 HIS A 73 -10.157 40.108 18.923 1.00 1.00 N ATOM 0 H HIS A 73 -13.006 36.523 18.633 1.00 1.00 H new ATOM 0 HA HIS A 73 -10.408 35.787 17.816 1.00 1.00 H new ATOM 0 HB2 HIS A 73 -11.716 36.686 20.413 1.00 1.00 H new ATOM 0 HB3 HIS A 73 -10.032 36.200 20.402 1.00 1.00 H new ATOM 0 HD1 HIS A 73 -8.434 37.517 18.774 1.00 1.00 H new ATOM 0 HD2 HIS A 73 -12.123 39.334 19.515 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -8.094 39.999 18.360 1.00 1.00 H new ATOM 1172 N ILE A 74 -11.966 33.543 19.654 1.00 1.00 N ATOM 1173 CA ILE A 74 -11.996 32.114 19.961 1.00 1.00 C ATOM 1174 C ILE A 74 -11.800 31.251 18.708 1.00 1.00 C ATOM 1175 O ILE A 74 -11.029 30.291 18.713 1.00 1.00 O ATOM 1176 CB ILE A 74 -13.292 31.777 20.705 1.00 1.00 C ATOM 1177 CG1 ILE A 74 -13.265 32.309 22.161 1.00 1.00 C ATOM 1178 CG2 ILE A 74 -13.630 30.273 20.681 1.00 1.00 C ATOM 1179 CD1 ILE A 74 -12.430 31.476 23.143 1.00 1.00 C ATOM 0 H ILE A 74 -12.827 34.024 19.915 1.00 1.00 H new ATOM 0 HA ILE A 74 -11.155 31.879 20.613 1.00 1.00 H new ATOM 0 HB ILE A 74 -14.089 32.287 20.163 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -12.878 33.328 22.152 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -14.289 32.361 22.532 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -14.559 30.100 21.225 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -13.747 29.943 19.649 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -12.824 29.711 21.152 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -12.474 31.929 24.133 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -12.828 30.462 23.190 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -11.394 31.444 22.804 1.00 1.00 H new ATOM 1191 N ARG A 75 -12.429 31.614 17.567 1.00 1.00 N ATOM 1192 CA ARG A 75 -12.203 30.965 16.280 1.00 1.00 C ATOM 1193 C ARG A 75 -10.756 31.057 15.804 1.00 1.00 C ATOM 1194 O ARG A 75 -10.172 30.083 15.321 1.00 1.00 O ATOM 1195 CB ARG A 75 -13.157 31.564 15.207 1.00 1.00 C ATOM 1196 CG ARG A 75 -13.163 30.846 13.837 1.00 1.00 C ATOM 1197 CD ARG A 75 -12.098 31.295 12.813 1.00 1.00 C ATOM 1198 NE ARG A 75 -12.005 30.258 11.731 1.00 1.00 N ATOM 1199 CZ ARG A 75 -11.463 29.041 11.888 1.00 1.00 C ATOM 1200 NH1 ARG A 75 -10.901 28.630 13.016 1.00 1.00 N ATOM 1201 NH2 ARG A 75 -11.480 28.201 10.860 1.00 1.00 N ATOM 0 H ARG A 75 -13.110 32.372 17.526 1.00 1.00 H new ATOM 0 HA ARG A 75 -12.417 29.906 16.422 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -14.172 31.556 15.605 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -12.885 32.608 15.048 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -13.037 29.778 14.012 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -14.146 30.981 13.386 1.00 1.00 H new ATOM 0 HD2 ARG A 75 -12.366 32.262 12.388 1.00 1.00 H new ATOM 0 HD3 ARG A 75 -11.132 31.419 13.302 1.00 1.00 H new ATOM 0 HE ARG A 75 -12.380 30.495 10.813 1.00 1.00 H new ATOM 0 HH11 ARG A 75 -10.865 29.252 13.824 1.00 1.00 H new ATOM 0 HH12 ARG A 75 -10.505 27.692 13.076 1.00 1.00 H new ATOM 0 HH21 ARG A 75 -11.899 28.487 9.975 1.00 1.00 H new ATOM 0 HH22 ARG A 75 -11.074 27.270 10.955 1.00 1.00 H new ATOM 1215 N ARG A 76 -10.130 32.242 15.937 1.00 1.00 N ATOM 1216 CA ARG A 76 -8.732 32.487 15.617 1.00 1.00 C ATOM 1217 C ARG A 76 -7.763 31.698 16.488 1.00 1.00 C ATOM 1218 O ARG A 76 -6.745 31.186 16.013 1.00 1.00 O ATOM 1219 CB ARG A 76 -8.429 33.997 15.727 1.00 1.00 C ATOM 1220 CG ARG A 76 -9.190 34.816 14.671 1.00 1.00 C ATOM 1221 CD ARG A 76 -9.029 36.325 14.845 1.00 1.00 C ATOM 1222 NE ARG A 76 -9.819 36.938 13.737 1.00 1.00 N ATOM 1223 CZ ARG A 76 -10.107 38.239 13.628 1.00 1.00 C ATOM 1224 NH1 ARG A 76 -9.686 39.150 14.497 1.00 1.00 N ATOM 1225 NH2 ARG A 76 -10.843 38.621 12.588 1.00 1.00 N ATOM 0 H ARG A 76 -10.609 33.074 16.282 1.00 1.00 H new ATOM 0 HA ARG A 76 -8.580 32.142 14.594 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -8.699 34.349 16.723 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -7.358 34.161 15.610 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -8.839 34.532 13.679 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -10.249 34.563 14.719 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -9.399 36.650 15.818 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -7.980 36.617 14.788 1.00 1.00 H new ATOM 0 HE ARG A 76 -10.166 36.316 13.007 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -9.114 38.869 15.294 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -9.934 40.131 14.368 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -11.166 37.930 11.910 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -11.085 39.605 12.468 1.00 1.00 H new ATOM 1239 N LEU A 77 -8.080 31.561 17.792 1.00 1.00 N ATOM 1240 CA LEU A 77 -7.354 30.737 18.739 1.00 1.00 C ATOM 1241 C LEU A 77 -7.360 29.251 18.379 1.00 1.00 C ATOM 1242 O LEU A 77 -6.319 28.595 18.413 1.00 1.00 O ATOM 1243 CB LEU A 77 -7.904 30.963 20.170 1.00 1.00 C ATOM 1244 CG LEU A 77 -7.086 30.312 21.308 1.00 1.00 C ATOM 1245 CD1 LEU A 77 -5.631 30.806 21.344 1.00 1.00 C ATOM 1246 CD2 LEU A 77 -7.759 30.570 22.666 1.00 1.00 C ATOM 0 H LEU A 77 -8.875 32.042 18.213 1.00 1.00 H new ATOM 0 HA LEU A 77 -6.311 31.050 18.697 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -7.959 32.036 20.354 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -8.923 30.579 20.213 1.00 1.00 H new ATOM 0 HG LEU A 77 -7.062 29.241 21.108 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -5.101 30.317 22.162 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -5.142 30.566 20.400 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -5.617 31.885 21.496 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -7.171 30.105 23.458 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -7.821 31.644 22.843 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -8.762 30.144 22.662 1.00 1.00 H new ATOM 1258 N ARG A 78 -8.514 28.683 17.944 1.00 1.00 N ATOM 1259 CA ARG A 78 -8.550 27.332 17.402 1.00 1.00 C ATOM 1260 C ARG A 78 -7.631 27.115 16.210 1.00 1.00 C ATOM 1261 O ARG A 78 -6.878 26.146 16.164 1.00 1.00 O ATOM 1262 CB ARG A 78 -9.962 26.968 16.898 1.00 1.00 C ATOM 1263 CG ARG A 78 -11.032 26.894 17.990 1.00 1.00 C ATOM 1264 CD ARG A 78 -12.413 26.701 17.367 1.00 1.00 C ATOM 1265 NE ARG A 78 -13.375 26.626 18.503 1.00 1.00 N ATOM 1266 CZ ARG A 78 -14.435 27.432 18.655 1.00 1.00 C ATOM 1267 NH1 ARG A 78 -14.768 28.336 17.742 1.00 1.00 N ATOM 1268 NH2 ARG A 78 -15.178 27.320 19.750 1.00 1.00 N ATOM 0 H ARG A 78 -9.420 29.151 17.965 1.00 1.00 H new ATOM 0 HA ARG A 78 -8.226 26.711 18.237 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -10.270 27.705 16.157 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -9.914 26.005 16.389 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -10.813 26.069 18.668 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -11.018 27.807 18.585 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -12.659 27.529 16.702 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -12.446 25.791 16.768 1.00 1.00 H new ATOM 0 HE ARG A 78 -13.216 25.912 19.214 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -14.211 28.433 16.893 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -15.581 28.934 17.889 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -14.939 26.628 20.460 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -15.988 27.926 19.881 1.00 1.00 H new ATOM 1282 N LYS A 79 -7.622 28.038 15.227 1.00 1.00 N ATOM 1283 CA LYS A 79 -6.767 27.916 14.058 1.00 1.00 C ATOM 1284 C LYS A 79 -5.276 27.909 14.393 1.00 1.00 C ATOM 1285 O LYS A 79 -4.491 27.136 13.842 1.00 1.00 O ATOM 1286 CB LYS A 79 -7.092 29.007 13.015 1.00 1.00 C ATOM 1287 CG LYS A 79 -6.430 28.743 11.655 1.00 1.00 C ATOM 1288 CD LYS A 79 -7.017 29.601 10.526 1.00 1.00 C ATOM 1289 CE LYS A 79 -6.455 29.212 9.155 1.00 1.00 C ATOM 1290 NZ LYS A 79 -7.141 29.951 8.088 1.00 1.00 N ATOM 0 H LYS A 79 -8.205 28.875 15.232 1.00 1.00 H new ATOM 0 HA LYS A 79 -6.987 26.940 13.626 1.00 1.00 H new ATOM 0 HB2 LYS A 79 -8.172 29.067 12.883 1.00 1.00 H new ATOM 0 HB3 LYS A 79 -6.763 29.975 13.393 1.00 1.00 H new ATOM 0 HG2 LYS A 79 -5.360 28.938 11.734 1.00 1.00 H new ATOM 0 HG3 LYS A 79 -6.544 27.689 11.400 1.00 1.00 H new ATOM 0 HD2 LYS A 79 -8.102 29.494 10.516 1.00 1.00 H new ATOM 0 HD3 LYS A 79 -6.802 30.652 10.721 1.00 1.00 H new ATOM 0 HE2 LYS A 79 -5.386 29.422 9.121 1.00 1.00 H new ATOM 0 HE3 LYS A 79 -6.575 28.140 8.998 1.00 1.00 H new ATOM 0 HZ1 LYS A 79 -6.747 29.675 7.166 1.00 1.00 H new ATOM 0 HZ2 LYS A 79 -8.157 29.730 8.111 1.00 1.00 H new ATOM 0 HZ3 LYS A 79 -7.005 30.972 8.230 1.00 1.00 H new ATOM 1304 N ALA A 80 -4.857 28.741 15.366 1.00 1.00 N ATOM 1305 CA ALA A 80 -3.507 28.761 15.893 1.00 1.00 C ATOM 1306 C ALA A 80 -3.060 27.448 16.549 1.00 1.00 C ATOM 1307 O ALA A 80 -1.912 27.023 16.390 1.00 1.00 O ATOM 1308 CB ALA A 80 -3.376 29.920 16.901 1.00 1.00 C ATOM 0 H ALA A 80 -5.471 29.426 15.807 1.00 1.00 H new ATOM 0 HA ALA A 80 -2.846 28.901 15.038 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -2.363 29.941 17.302 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -3.587 30.864 16.399 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -4.085 29.775 17.716 1.00 1.00 H new ATOM 1314 N LEU A 81 -3.958 26.761 17.291 1.00 1.00 N ATOM 1315 CA LEU A 81 -3.619 25.580 18.056 1.00 1.00 C ATOM 1316 C LEU A 81 -3.897 24.283 17.297 1.00 1.00 C ATOM 1317 O LEU A 81 -3.570 23.194 17.775 1.00 1.00 O ATOM 1318 CB LEU A 81 -4.471 25.559 19.348 1.00 1.00 C ATOM 1319 CG LEU A 81 -4.194 26.693 20.356 1.00 1.00 C ATOM 1320 CD1 LEU A 81 -5.307 26.729 21.414 1.00 1.00 C ATOM 1321 CD2 LEU A 81 -2.829 26.538 21.041 1.00 1.00 C ATOM 0 H LEU A 81 -4.940 27.027 17.364 1.00 1.00 H new ATOM 0 HA LEU A 81 -2.551 25.631 18.266 1.00 1.00 H new ATOM 0 HB2 LEU A 81 -5.523 25.598 19.067 1.00 1.00 H new ATOM 0 HB3 LEU A 81 -4.311 24.605 19.851 1.00 1.00 H new ATOM 0 HG LEU A 81 -4.177 27.631 19.801 1.00 1.00 H new ATOM 0 HD11 LEU A 81 -5.108 27.531 22.124 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.266 26.905 20.927 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -5.338 25.776 21.942 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -2.678 27.359 21.742 1.00 1.00 H new ATOM 0 HD22 LEU A 81 -2.798 25.591 21.580 1.00 1.00 H new ATOM 0 HD23 LEU A 81 -2.040 26.554 20.289 1.00 1.00 H new ATOM 1333 N GLU A 82 -4.490 24.361 16.091 1.00 1.00 N ATOM 1334 CA GLU A 82 -4.819 23.222 15.247 1.00 1.00 C ATOM 1335 C GLU A 82 -3.638 22.376 14.737 1.00 1.00 C ATOM 1336 O GLU A 82 -3.766 21.146 14.782 1.00 1.00 O ATOM 1337 CB GLU A 82 -5.761 23.666 14.097 1.00 1.00 C ATOM 1338 CG GLU A 82 -6.375 22.496 13.290 1.00 1.00 C ATOM 1339 CD GLU A 82 -7.395 22.985 12.265 1.00 1.00 C ATOM 1340 OE1 GLU A 82 -8.185 23.903 12.416 1.00 1.00 O ATOM 1341 OE2 GLU A 82 -7.372 22.248 11.115 1.00 1.00 O ATOM 0 H GLU A 82 -4.758 25.252 15.674 1.00 1.00 H new ATOM 0 HA GLU A 82 -5.336 22.526 15.907 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -6.569 24.267 14.516 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -5.205 24.310 13.416 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -5.581 21.951 12.780 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -6.855 21.796 13.974 1.00 1.00 H new ATOM 1349 N PRO A 83 -2.476 22.873 14.284 1.00 1.00 N ATOM 1350 CA PRO A 83 -1.344 22.026 13.892 1.00 1.00 C ATOM 1351 C PRO A 83 -0.844 21.079 14.970 1.00 1.00 C ATOM 1352 O PRO A 83 -0.528 19.930 14.664 1.00 1.00 O ATOM 1353 CB PRO A 83 -0.260 23.022 13.456 1.00 1.00 C ATOM 1354 CG PRO A 83 -1.060 24.213 12.927 1.00 1.00 C ATOM 1355 CD PRO A 83 -2.268 24.264 13.861 1.00 1.00 C ATOM 0 HA PRO A 83 -1.645 21.338 13.102 1.00 1.00 H new ATOM 0 HB2 PRO A 83 0.381 23.308 14.290 1.00 1.00 H new ATOM 0 HB3 PRO A 83 0.387 22.600 12.687 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -0.482 25.136 12.966 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -1.359 24.068 11.889 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -2.079 24.913 14.716 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -3.147 24.657 13.350 1.00 1.00 H new ATOM 1363 N GLY A 84 -0.780 21.531 16.238 1.00 1.00 N ATOM 1364 CA GLY A 84 -0.437 20.682 17.377 1.00 1.00 C ATOM 1365 C GLY A 84 -1.591 19.888 17.942 1.00 1.00 C ATOM 1366 O GLY A 84 -1.422 19.122 18.888 1.00 1.00 O ATOM 0 H GLY A 84 -0.967 22.501 16.493 1.00 1.00 H new ATOM 0 HA2 GLY A 84 0.348 19.990 17.073 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -0.023 21.308 18.167 1.00 1.00 H new ATOM 1370 N GLY A 85 -2.816 20.062 17.403 1.00 1.00 N ATOM 1371 CA GLY A 85 -4.000 19.312 17.821 1.00 1.00 C ATOM 1372 C GLY A 85 -4.649 19.793 19.093 1.00 1.00 C ATOM 1373 O GLY A 85 -5.511 19.126 19.657 1.00 1.00 O ATOM 0 H GLY A 85 -3.004 20.735 16.660 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -4.737 19.351 17.019 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -3.722 18.266 17.947 1.00 1.00 H new ATOM 1377 N HIS A 86 -4.240 20.961 19.616 1.00 1.00 N ATOM 1378 CA HIS A 86 -4.639 21.421 20.939 1.00 1.00 C ATOM 1379 C HIS A 86 -5.826 22.383 20.917 1.00 1.00 C ATOM 1380 O HIS A 86 -6.297 22.820 21.964 1.00 1.00 O ATOM 1381 CB HIS A 86 -3.440 22.053 21.693 1.00 1.00 C ATOM 1382 CG HIS A 86 -2.245 21.127 21.809 1.00 1.00 C ATOM 1383 ND1 HIS A 86 -0.976 21.249 21.343 1.00 1.00 N flip ATOM 1384 CD2 HIS A 86 -2.303 19.927 22.463 1.00 1.00 C flip ATOM 1385 CE1 HIS A 86 -0.298 20.120 21.723 1.00 1.00 C flip ATOM 1386 NE2 HIS A 86 -1.119 19.338 22.401 1.00 1.00 N flip ATOM 0 H HIS A 86 -3.622 21.608 19.125 1.00 1.00 H new ATOM 0 HA HIS A 86 -4.972 20.533 21.477 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -3.136 22.964 21.177 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -3.762 22.345 22.693 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -3.177 19.524 22.953 1.00 1.00 H new ATOM 0 HE1 HIS A 86 0.737 19.905 21.504 1.00 1.00 H new ATOM 0 HE2 HIS A 86 -0.881 18.433 22.808 1.00 1.00 H new ATOM 1395 N ASP A 87 -6.378 22.704 19.726 1.00 1.00 N ATOM 1396 CA ASP A 87 -7.561 23.524 19.499 1.00 1.00 C ATOM 1397 C ASP A 87 -8.832 23.027 20.181 1.00 1.00 C ATOM 1398 O ASP A 87 -9.691 23.789 20.630 1.00 1.00 O ATOM 1399 CB ASP A 87 -7.799 23.650 17.962 1.00 1.00 C ATOM 1400 CG ASP A 87 -8.100 22.339 17.255 1.00 1.00 C ATOM 1401 OD1 ASP A 87 -7.316 21.373 17.410 1.00 1.00 O ATOM 1402 OD2 ASP A 87 -9.134 22.257 16.541 1.00 1.00 O ATOM 0 H ASP A 87 -5.975 22.370 18.851 1.00 1.00 H new ATOM 0 HA ASP A 87 -7.353 24.491 19.957 1.00 1.00 H new ATOM 0 HB2 ASP A 87 -8.628 24.337 17.792 1.00 1.00 H new ATOM 0 HB3 ASP A 87 -6.915 24.098 17.507 1.00 1.00 H new ATOM 1407 N ARG A 88 -8.968 21.700 20.271 1.00 1.00 N ATOM 1408 CA ARG A 88 -10.189 21.017 20.625 1.00 1.00 C ATOM 1409 C ARG A 88 -10.347 20.813 22.124 1.00 1.00 C ATOM 1410 O ARG A 88 -11.346 20.264 22.584 1.00 1.00 O ATOM 1411 CB ARG A 88 -10.209 19.675 19.858 1.00 1.00 C ATOM 1412 CG ARG A 88 -9.001 18.749 20.120 1.00 1.00 C ATOM 1413 CD ARG A 88 -8.631 17.839 18.937 1.00 1.00 C ATOM 1414 NE ARG A 88 -8.083 18.714 17.851 1.00 1.00 N ATOM 1415 CZ ARG A 88 -7.655 18.298 16.653 1.00 1.00 C ATOM 1416 NH1 ARG A 88 -7.590 17.029 16.289 1.00 1.00 N ATOM 1417 NH2 ARG A 88 -7.234 19.236 15.808 1.00 1.00 N ATOM 0 H ARG A 88 -8.195 21.060 20.090 1.00 1.00 H new ATOM 0 HA ARG A 88 -11.041 21.635 20.340 1.00 1.00 H new ATOM 0 HB2 ARG A 88 -11.121 19.139 20.120 1.00 1.00 H new ATOM 0 HB3 ARG A 88 -10.259 19.886 18.790 1.00 1.00 H new ATOM 0 HG2 ARG A 88 -8.137 19.362 20.375 1.00 1.00 H new ATOM 0 HG3 ARG A 88 -9.217 18.126 20.988 1.00 1.00 H new ATOM 0 HD2 ARG A 88 -7.893 17.097 19.240 1.00 1.00 H new ATOM 0 HD3 ARG A 88 -9.506 17.293 18.585 1.00 1.00 H new ATOM 0 HE ARG A 88 -8.032 19.715 18.041 1.00 1.00 H new ATOM 0 HH11 ARG A 88 -7.877 16.297 16.939 1.00 1.00 H new ATOM 0 HH12 ARG A 88 -7.253 16.782 15.358 1.00 1.00 H new ATOM 0 HH21 ARG A 88 -7.248 20.217 16.087 1.00 1.00 H new ATOM 0 HH22 ARG A 88 -6.897 18.974 14.882 1.00 1.00 H new ATOM 1431 N MET A 89 -9.411 21.357 22.936 1.00 1.00 N ATOM 1432 CA MET A 89 -9.539 21.372 24.384 1.00 1.00 C ATOM 1433 C MET A 89 -10.266 22.616 24.879 1.00 1.00 C ATOM 1434 O MET A 89 -10.557 22.764 26.068 1.00 1.00 O ATOM 1435 CB MET A 89 -8.163 21.348 25.084 1.00 1.00 C ATOM 1436 CG MET A 89 -7.296 20.122 24.745 1.00 1.00 C ATOM 1437 SD MET A 89 -6.016 19.771 25.994 1.00 1.00 S ATOM 1438 CE MET A 89 -5.011 21.252 25.695 1.00 1.00 C ATOM 0 H MET A 89 -8.555 21.792 22.593 1.00 1.00 H new ATOM 0 HA MET A 89 -10.108 20.476 24.631 1.00 1.00 H new ATOM 0 HB2 MET A 89 -7.616 22.251 24.813 1.00 1.00 H new ATOM 0 HB3 MET A 89 -8.317 21.381 26.162 1.00 1.00 H new ATOM 0 HG2 MET A 89 -7.940 19.249 24.641 1.00 1.00 H new ATOM 0 HG3 MET A 89 -6.816 20.282 23.779 1.00 1.00 H new ATOM 0 HE1 MET A 89 -4.106 21.206 26.300 1.00 1.00 H new ATOM 0 HE2 MET A 89 -4.740 21.301 24.640 1.00 1.00 H new ATOM 0 HE3 MET A 89 -5.583 22.140 25.965 1.00 1.00 H new ATOM 1448 N VAL A 90 -10.607 23.534 23.950 1.00 1.00 N ATOM 1449 CA VAL A 90 -11.499 24.651 24.203 1.00 1.00 C ATOM 1450 C VAL A 90 -12.928 24.157 24.058 1.00 1.00 C ATOM 1451 O VAL A 90 -13.346 23.668 23.008 1.00 1.00 O ATOM 1452 CB VAL A 90 -11.257 25.829 23.261 1.00 1.00 C ATOM 1453 CG1 VAL A 90 -12.181 27.013 23.628 1.00 1.00 C ATOM 1454 CG2 VAL A 90 -9.781 26.267 23.352 1.00 1.00 C ATOM 0 H VAL A 90 -10.257 23.506 22.992 1.00 1.00 H new ATOM 0 HA VAL A 90 -11.308 25.019 25.211 1.00 1.00 H new ATOM 0 HB VAL A 90 -11.482 25.518 22.241 1.00 1.00 H new ATOM 0 HG11 VAL A 90 -11.996 27.844 22.947 1.00 1.00 H new ATOM 0 HG12 VAL A 90 -13.222 26.701 23.545 1.00 1.00 H new ATOM 0 HG13 VAL A 90 -11.977 27.330 24.651 1.00 1.00 H new ATOM 0 HG21 VAL A 90 -9.609 27.108 22.680 1.00 1.00 H new ATOM 0 HG22 VAL A 90 -9.553 26.568 24.375 1.00 1.00 H new ATOM 0 HG23 VAL A 90 -9.137 25.436 23.066 1.00 1.00 H new ATOM 1464 N GLN A 91 -13.722 24.272 25.129 1.00 1.00 N ATOM 1465 CA GLN A 91 -15.063 23.750 25.215 1.00 1.00 C ATOM 1466 C GLN A 91 -16.053 24.896 25.189 1.00 1.00 C ATOM 1467 O GLN A 91 -15.779 26.000 25.664 1.00 1.00 O ATOM 1468 CB GLN A 91 -15.271 22.967 26.529 1.00 1.00 C ATOM 1469 CG GLN A 91 -14.288 21.795 26.737 1.00 1.00 C ATOM 1470 CD GLN A 91 -14.588 21.128 28.076 1.00 1.00 C ATOM 1471 OE1 GLN A 91 -13.982 21.430 29.108 1.00 1.00 O ATOM 1472 NE2 GLN A 91 -15.588 20.222 28.080 1.00 1.00 N ATOM 0 H GLN A 91 -13.425 24.749 25.980 1.00 1.00 H new ATOM 0 HA GLN A 91 -15.218 23.081 24.368 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -15.177 23.657 27.367 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -16.289 22.579 26.549 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -14.386 21.073 25.926 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -13.260 22.158 26.719 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -16.071 19.992 27.212 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -15.861 19.767 28.951 1.00 1.00 H new ATOM 1481 N THR A 92 -17.246 24.658 24.619 1.00 1.00 N ATOM 1482 CA THR A 92 -18.229 25.711 24.407 1.00 1.00 C ATOM 1483 C THR A 92 -19.498 25.410 25.144 1.00 1.00 C ATOM 1484 O THR A 92 -20.136 24.377 24.945 1.00 1.00 O ATOM 1485 CB THR A 92 -18.568 25.923 22.945 1.00 1.00 C ATOM 1486 OG1 THR A 92 -17.414 26.417 22.280 1.00 1.00 O ATOM 1487 CG2 THR A 92 -19.671 26.974 22.758 1.00 1.00 C ATOM 0 H THR A 92 -17.545 23.737 24.298 1.00 1.00 H new ATOM 0 HA THR A 92 -17.769 26.623 24.787 1.00 1.00 H new ATOM 0 HB THR A 92 -18.908 24.968 22.544 1.00 1.00 H new ATOM 0 HG1 THR A 92 -17.200 27.312 22.618 1.00 1.00 H new ATOM 0 HG21 THR A 92 -19.882 27.094 21.696 1.00 1.00 H new ATOM 0 HG22 THR A 92 -20.575 26.649 23.273 1.00 1.00 H new ATOM 0 HG23 THR A 92 -19.340 27.926 23.172 1.00 1.00 H new ATOM 1495 N VAL A 93 -19.919 26.352 26.005 1.00 1.00 N ATOM 1496 CA VAL A 93 -21.065 26.199 26.870 1.00 1.00 C ATOM 1497 C VAL A 93 -22.188 27.094 26.362 1.00 1.00 C ATOM 1498 O VAL A 93 -22.129 28.324 26.453 1.00 1.00 O ATOM 1499 CB VAL A 93 -20.692 26.560 28.301 1.00 1.00 C ATOM 1500 CG1 VAL A 93 -21.881 26.282 29.232 1.00 1.00 C ATOM 1501 CG2 VAL A 93 -19.478 25.716 28.739 1.00 1.00 C ATOM 0 H VAL A 93 -19.452 27.253 26.109 1.00 1.00 H new ATOM 0 HA VAL A 93 -21.401 25.162 26.862 1.00 1.00 H new ATOM 0 HB VAL A 93 -20.438 27.618 28.355 1.00 1.00 H new ATOM 0 HG11 VAL A 93 -21.610 26.542 30.255 1.00 1.00 H new ATOM 0 HG12 VAL A 93 -22.736 26.882 28.920 1.00 1.00 H new ATOM 0 HG13 VAL A 93 -22.142 25.225 29.183 1.00 1.00 H new ATOM 0 HG21 VAL A 93 -19.208 25.972 29.764 1.00 1.00 H new ATOM 0 HG22 VAL A 93 -19.732 24.657 28.684 1.00 1.00 H new ATOM 0 HG23 VAL A 93 -18.635 25.921 28.079 1.00 1.00 H new ATOM 1511 N ARG A 94 -23.247 26.486 25.785 1.00 1.00 N ATOM 1512 CA ARG A 94 -24.333 27.191 25.117 1.00 1.00 C ATOM 1513 C ARG A 94 -25.149 28.078 26.056 1.00 1.00 C ATOM 1514 O ARG A 94 -25.765 27.623 27.024 1.00 1.00 O ATOM 1515 CB ARG A 94 -25.288 26.201 24.405 1.00 1.00 C ATOM 1516 CG ARG A 94 -26.457 26.854 23.627 1.00 1.00 C ATOM 1517 CD ARG A 94 -27.406 25.855 22.947 1.00 1.00 C ATOM 1518 NE ARG A 94 -26.613 25.171 21.878 1.00 1.00 N ATOM 1519 CZ ARG A 94 -26.663 25.463 20.571 1.00 1.00 C ATOM 1520 NH1 ARG A 94 -27.647 26.172 20.031 1.00 1.00 N ATOM 1521 NH2 ARG A 94 -25.669 25.064 19.784 1.00 1.00 N ATOM 0 H ARG A 94 -23.362 25.472 25.777 1.00 1.00 H new ATOM 0 HA ARG A 94 -23.850 27.838 24.385 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -24.705 25.595 23.711 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -25.703 25.523 25.150 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -27.033 27.473 24.314 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -26.045 27.519 22.868 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -27.789 25.132 23.668 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -28.268 26.368 22.521 1.00 1.00 H new ATOM 0 HE ARG A 94 -25.984 24.422 22.167 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -28.407 26.519 20.617 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -27.643 26.370 19.030 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -24.884 24.544 20.177 1.00 1.00 H new ATOM 0 HH22 ARG A 94 -25.691 25.278 18.787 1.00 1.00 H new ATOM 1535 N GLY A 95 -25.186 29.392 25.772 1.00 1.00 N ATOM 1536 CA GLY A 95 -25.922 30.386 26.542 1.00 1.00 C ATOM 1537 C GLY A 95 -25.172 30.908 27.728 1.00 1.00 C ATOM 1538 O GLY A 95 -25.686 31.731 28.483 1.00 1.00 O ATOM 0 H GLY A 95 -24.688 29.793 24.977 1.00 1.00 H new ATOM 0 HA2 GLY A 95 -26.178 31.221 25.890 1.00 1.00 H new ATOM 0 HA3 GLY A 95 -26.860 29.947 26.881 1.00 1.00 H new ATOM 1542 N THR A 96 -23.919 30.467 27.918 1.00 1.00 N ATOM 1543 CA THR A 96 -23.131 30.850 29.085 1.00 1.00 C ATOM 1544 C THR A 96 -21.804 31.402 28.639 1.00 1.00 C ATOM 1545 O THR A 96 -21.467 32.540 28.952 1.00 1.00 O ATOM 1546 CB THR A 96 -22.854 29.703 30.052 1.00 1.00 C ATOM 1547 OG1 THR A 96 -24.056 29.038 30.415 1.00 1.00 O ATOM 1548 CG2 THR A 96 -22.246 30.232 31.357 1.00 1.00 C ATOM 0 H THR A 96 -23.434 29.843 27.273 1.00 1.00 H new ATOM 0 HA THR A 96 -23.730 31.591 29.614 1.00 1.00 H new ATOM 0 HB THR A 96 -22.172 29.023 29.541 1.00 1.00 H new ATOM 0 HG1 THR A 96 -23.851 28.306 31.034 1.00 1.00 H new ATOM 0 HG21 THR A 96 -22.056 29.399 32.034 1.00 1.00 H new ATOM 0 HG22 THR A 96 -21.309 30.745 31.140 1.00 1.00 H new ATOM 0 HG23 THR A 96 -22.941 30.929 31.826 1.00 1.00 H new ATOM 1556 N GLY A 97 -21.001 30.636 27.872 1.00 1.00 N ATOM 1557 CA GLY A 97 -19.652 31.081 27.547 1.00 1.00 C ATOM 1558 C GLY A 97 -18.759 29.953 27.135 1.00 1.00 C ATOM 1559 O GLY A 97 -19.159 29.075 26.371 1.00 1.00 O ATOM 0 H GLY A 97 -21.264 29.732 27.480 1.00 1.00 H new ATOM 0 HA2 GLY A 97 -19.699 31.815 26.743 1.00 1.00 H new ATOM 0 HA3 GLY A 97 -19.221 31.584 28.412 1.00 1.00 H new ATOM 1563 N TYR A 98 -17.509 29.955 27.625 1.00 1.00 N ATOM 1564 CA TYR A 98 -16.479 29.040 27.168 1.00 1.00 C ATOM 1565 C TYR A 98 -15.703 28.480 28.351 1.00 1.00 C ATOM 1566 O TYR A 98 -15.752 29.006 29.461 1.00 1.00 O ATOM 1567 CB TYR A 98 -15.482 29.736 26.205 1.00 1.00 C ATOM 1568 CG TYR A 98 -16.176 30.325 25.003 1.00 1.00 C ATOM 1569 CD1 TYR A 98 -16.759 29.491 24.033 1.00 1.00 C ATOM 1570 CD2 TYR A 98 -16.234 31.719 24.820 1.00 1.00 C ATOM 1571 CE1 TYR A 98 -17.326 30.046 22.876 1.00 1.00 C ATOM 1572 CE2 TYR A 98 -16.780 32.266 23.647 1.00 1.00 C ATOM 1573 CZ TYR A 98 -17.292 31.417 22.659 1.00 1.00 C ATOM 1574 OH TYR A 98 -17.821 31.919 21.451 1.00 1.00 O ATOM 0 H TYR A 98 -17.194 30.598 28.352 1.00 1.00 H new ATOM 0 HA TYR A 98 -16.981 28.234 26.633 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -14.952 30.524 26.740 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -14.734 29.015 25.875 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -16.770 28.421 24.179 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -15.855 32.375 25.589 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -17.793 29.401 22.147 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -16.805 33.337 23.508 1.00 1.00 H new ATOM 0 HH TYR A 98 -18.363 31.227 21.019 1.00 1.00 H new ATOM 1584 N ARG A 99 -14.986 27.363 28.135 1.00 1.00 N ATOM 1585 CA ARG A 99 -14.367 26.572 29.181 1.00 1.00 C ATOM 1586 C ARG A 99 -13.130 25.903 28.586 1.00 1.00 C ATOM 1587 O ARG A 99 -13.071 25.672 27.383 1.00 1.00 O ATOM 1588 CB ARG A 99 -15.424 25.529 29.635 1.00 1.00 C ATOM 1589 CG ARG A 99 -15.066 24.544 30.764 1.00 1.00 C ATOM 1590 CD ARG A 99 -16.136 23.442 30.895 1.00 1.00 C ATOM 1591 NE ARG A 99 -16.062 22.836 32.259 1.00 1.00 N ATOM 1592 CZ ARG A 99 -15.160 21.939 32.672 1.00 1.00 C ATOM 1593 NH1 ARG A 99 -14.186 21.478 31.895 1.00 1.00 N ATOM 1594 NH2 ARG A 99 -15.236 21.492 33.924 1.00 1.00 N ATOM 0 H ARG A 99 -14.825 26.987 27.201 1.00 1.00 H new ATOM 0 HA ARG A 99 -14.055 27.165 30.041 1.00 1.00 H new ATOM 0 HB2 ARG A 99 -16.314 26.077 29.946 1.00 1.00 H new ATOM 0 HB3 ARG A 99 -15.702 24.940 28.761 1.00 1.00 H new ATOM 0 HG2 ARG A 99 -14.095 24.091 30.562 1.00 1.00 H new ATOM 0 HG3 ARG A 99 -14.977 25.083 31.707 1.00 1.00 H new ATOM 0 HD2 ARG A 99 -17.128 23.861 30.725 1.00 1.00 H new ATOM 0 HD3 ARG A 99 -15.979 22.676 30.136 1.00 1.00 H new ATOM 0 HE ARG A 99 -16.764 23.134 32.937 1.00 1.00 H new ATOM 0 HH11 ARG A 99 -14.101 21.808 30.934 1.00 1.00 H new ATOM 0 HH12 ARG A 99 -13.523 20.794 32.260 1.00 1.00 H new ATOM 0 HH21 ARG A 99 -15.970 21.834 34.544 1.00 1.00 H new ATOM 0 HH22 ARG A 99 -14.560 20.808 34.263 1.00 1.00 H new ATOM 1608 N PHE A 100 -12.087 25.603 29.382 1.00 1.00 N ATOM 1609 CA PHE A 100 -10.872 24.964 28.902 1.00 1.00 C ATOM 1610 C PHE A 100 -10.585 23.746 29.764 1.00 1.00 C ATOM 1611 O PHE A 100 -10.897 23.740 30.953 1.00 1.00 O ATOM 1612 CB PHE A 100 -9.706 25.987 28.971 1.00 1.00 C ATOM 1613 CG PHE A 100 -8.416 25.494 28.372 1.00 1.00 C ATOM 1614 CD1 PHE A 100 -8.330 25.200 27.002 1.00 1.00 C ATOM 1615 CD2 PHE A 100 -7.266 25.369 29.168 1.00 1.00 C ATOM 1616 CE1 PHE A 100 -7.115 24.794 26.434 1.00 1.00 C ATOM 1617 CE2 PHE A 100 -6.051 24.962 28.605 1.00 1.00 C ATOM 1618 CZ PHE A 100 -5.974 24.676 27.238 1.00 1.00 C ATOM 0 H PHE A 100 -12.075 25.803 30.382 1.00 1.00 H new ATOM 0 HA PHE A 100 -10.987 24.638 27.868 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.007 26.899 28.456 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -9.531 26.252 30.014 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -9.209 25.288 26.380 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -7.320 25.589 30.224 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -7.058 24.573 25.378 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -5.173 24.869 29.226 1.00 1.00 H new ATOM 0 HZ PHE A 100 -5.036 24.365 26.803 1.00 1.00 H new ATOM 1628 N SER A 101 -9.994 22.664 29.217 1.00 1.00 N ATOM 1629 CA SER A 101 -9.685 21.516 30.066 1.00 1.00 C ATOM 1630 C SER A 101 -8.462 20.761 29.591 1.00 1.00 C ATOM 1631 O SER A 101 -8.190 20.657 28.404 1.00 1.00 O ATOM 1632 CB SER A 101 -10.861 20.511 30.171 1.00 1.00 C ATOM 1633 OG SER A 101 -10.604 19.499 31.148 1.00 1.00 O ATOM 0 H SER A 101 -9.734 22.569 28.235 1.00 1.00 H new ATOM 0 HA SER A 101 -9.492 21.945 31.049 1.00 1.00 H new ATOM 0 HB2 SER A 101 -11.775 21.045 30.432 1.00 1.00 H new ATOM 0 HB3 SER A 101 -11.030 20.045 29.200 1.00 1.00 H new ATOM 0 HG SER A 101 -11.398 19.378 31.710 1.00 1.00 H new ATOM 1639 N THR A 102 -7.698 20.179 30.533 1.00 1.00 N ATOM 1640 CA THR A 102 -6.495 19.394 30.272 1.00 1.00 C ATOM 1641 C THR A 102 -6.786 17.905 30.315 1.00 1.00 C ATOM 1642 O THR A 102 -5.897 17.060 30.222 1.00 1.00 O ATOM 1643 CB THR A 102 -5.408 19.682 31.297 1.00 1.00 C ATOM 1644 OG1 THR A 102 -5.907 19.625 32.631 1.00 1.00 O ATOM 1645 CG2 THR A 102 -4.898 21.111 31.075 1.00 1.00 C ATOM 0 H THR A 102 -7.915 20.249 31.527 1.00 1.00 H new ATOM 0 HA THR A 102 -6.155 19.681 29.277 1.00 1.00 H new ATOM 0 HB THR A 102 -4.627 18.932 31.172 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.180 19.813 33.261 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.117 21.336 31.802 1.00 1.00 H new ATOM 0 HG22 THR A 102 -4.492 21.200 30.067 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.721 21.814 31.198 1.00 1.00 H new