USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 392 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 7 THR OG1 : rot -175:sc= -0.787 USER MOD Set 1.2: B 12 THR OG1 : rot -66:sc= 0.117 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.025 X(o=-0.025,f=-0.011) USER MOD Single : A 16 THR OG1 : rot -170:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.9!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -1.33 X(o=-1.3,f=-1.7) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= -0.0954 K(o=-0.095,f=-1.7!) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.0204 X(o=-0.02,f=-0.13) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HE2:sc= -5.04! C(o=-5!,f=-7.4!) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 6 19.008 8.148 -16.983 1.00 0.00 N ATOM 70 CA PHE A 6 18.693 7.850 -15.595 1.00 0.00 C ATOM 71 C PHE A 6 18.156 6.424 -15.451 1.00 0.00 C ATOM 72 O PHE A 6 17.158 6.067 -16.074 1.00 0.00 O ATOM 73 CB PHE A 6 17.608 8.836 -15.161 1.00 0.00 C ATOM 74 CG PHE A 6 18.095 10.282 -15.043 1.00 0.00 C ATOM 75 CD1 PHE A 6 18.109 11.087 -16.140 1.00 0.00 C ATOM 76 CD2 PHE A 6 18.512 10.763 -13.842 1.00 0.00 C ATOM 77 CE1 PHE A 6 18.561 12.429 -16.031 1.00 0.00 C ATOM 78 CE2 PHE A 6 18.963 12.106 -13.732 1.00 0.00 C ATOM 79 CZ PHE A 6 18.978 12.911 -14.830 1.00 0.00 C ATOM 0 HA PHE A 6 19.590 7.937 -14.982 1.00 0.00 H new ATOM 0 HB2 PHE A 6 16.788 8.797 -15.878 1.00 0.00 H new ATOM 0 HB3 PHE A 6 17.206 8.519 -14.199 1.00 0.00 H new ATOM 0 HD1 PHE A 6 17.776 10.705 -17.094 1.00 0.00 H new ATOM 0 HD2 PHE A 6 18.501 10.124 -12.971 1.00 0.00 H new ATOM 0 HE1 PHE A 6 18.573 13.067 -16.902 1.00 0.00 H new ATOM 0 HE2 PHE A 6 19.294 12.488 -12.778 1.00 0.00 H new ATOM 0 HZ PHE A 6 19.321 13.932 -14.747 1.00 0.00 H new ATOM 88 N THR A 7 18.843 5.648 -14.624 1.00 0.00 N ATOM 89 CA THR A 7 18.447 4.271 -14.389 1.00 0.00 C ATOM 90 C THR A 7 18.195 4.034 -12.897 1.00 0.00 C ATOM 91 O THR A 7 19.137 3.907 -12.118 1.00 0.00 O ATOM 92 CB THR A 7 19.531 3.362 -14.972 1.00 0.00 C ATOM 93 OG1 THR A 7 19.193 2.064 -14.489 1.00 0.00 O ATOM 94 CG2 THR A 7 20.910 3.635 -14.372 1.00 0.00 C ATOM 0 H THR A 7 19.671 5.948 -14.109 1.00 0.00 H new ATOM 0 HA THR A 7 17.505 4.041 -14.887 1.00 0.00 H new ATOM 0 HB THR A 7 19.573 3.496 -16.053 1.00 0.00 H new ATOM 0 HG1 THR A 7 19.844 1.412 -14.821 1.00 0.00 H new ATOM 0 HG21 THR A 7 21.642 2.963 -14.821 1.00 0.00 H new ATOM 0 HG22 THR A 7 21.196 4.668 -14.572 1.00 0.00 H new ATOM 0 HG23 THR A 7 20.878 3.469 -13.295 1.00 0.00 H new ATOM 102 N VAL A 8 16.918 3.984 -12.547 1.00 0.00 N ATOM 103 CA VAL A 8 16.531 3.767 -11.163 1.00 0.00 C ATOM 104 C VAL A 8 15.455 2.680 -11.104 1.00 0.00 C ATOM 105 O VAL A 8 14.587 2.614 -11.975 1.00 0.00 O ATOM 106 CB VAL A 8 16.083 5.086 -10.531 1.00 0.00 C ATOM 107 CG1 VAL A 8 15.489 4.854 -9.140 1.00 0.00 C ATOM 108 CG2 VAL A 8 17.240 6.086 -10.474 1.00 0.00 C ATOM 0 H VAL A 8 16.139 4.090 -13.197 1.00 0.00 H new ATOM 0 HA VAL A 8 17.382 3.416 -10.579 1.00 0.00 H new ATOM 0 HB VAL A 8 15.302 5.512 -11.161 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.179 5.808 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.626 4.193 -9.219 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.239 4.395 -8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.896 7.015 -10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.051 5.670 -9.877 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.598 6.286 -11.484 1.00 0.00 H new ATOM 132 N GLY A 10 15.447 -0.027 -11.977 1.00 0.00 N ATOM 133 CA GLY A 10 15.764 -1.008 -13.000 1.00 0.00 C ATOM 134 C GLY A 10 15.203 -0.582 -14.359 1.00 0.00 C ATOM 135 O GLY A 10 15.430 -1.251 -15.366 1.00 0.00 O ATOM 0 HA2 GLY A 10 16.845 -1.129 -13.070 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.352 -1.977 -12.720 1.00 0.00 H new ATOM 139 N ARG A 11 14.481 0.529 -14.344 1.00 0.00 N ATOM 140 CA ARG A 11 13.888 1.051 -15.562 1.00 0.00 C ATOM 141 C ARG A 11 14.758 2.169 -16.141 1.00 0.00 C ATOM 142 O ARG A 11 14.987 3.183 -15.486 1.00 0.00 O ATOM 143 CB ARG A 11 12.481 1.595 -15.300 1.00 0.00 C ATOM 144 CG ARG A 11 12.493 2.620 -14.163 1.00 0.00 C ATOM 145 CD ARG A 11 11.078 3.118 -13.860 1.00 0.00 C ATOM 146 NE ARG A 11 10.943 3.416 -12.416 1.00 0.00 N ATOM 147 CZ ARG A 11 9.952 4.163 -11.887 1.00 0.00 C ATOM 148 NH1 ARG A 11 8.997 4.694 -12.680 1.00 0.00 N ATOM 149 NH2 ARG A 11 9.929 4.364 -10.582 1.00 0.00 N ATOM 0 H ARG A 11 14.294 1.082 -13.507 1.00 0.00 H new ATOM 0 HA ARG A 11 13.822 0.230 -16.276 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.091 2.057 -16.207 1.00 0.00 H new ATOM 0 HB3 ARG A 11 11.811 0.774 -15.047 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.924 2.171 -13.268 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.129 3.463 -14.435 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.866 4.013 -14.445 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.348 2.364 -14.154 1.00 0.00 H new ATOM 0 HE ARG A 11 11.643 3.032 -11.781 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.022 4.531 -13.687 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.251 5.258 -12.272 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.653 3.957 -9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.187 4.926 -10.166 1.00 0.00 H new ATOM 159 N THR A 12 15.219 1.944 -17.362 1.00 0.00 N ATOM 160 CA THR A 12 16.060 2.918 -18.036 1.00 0.00 C ATOM 161 C THR A 12 15.202 3.902 -18.833 1.00 0.00 C ATOM 162 O THR A 12 14.274 3.498 -19.530 1.00 0.00 O ATOM 163 CB THR A 12 17.070 2.157 -18.897 1.00 0.00 C ATOM 164 OG1 THR A 12 17.985 1.604 -17.953 1.00 0.00 O ATOM 165 CG2 THR A 12 17.932 3.089 -19.751 1.00 0.00 C ATOM 0 H THR A 12 15.026 1.101 -17.903 1.00 0.00 H new ATOM 0 HA THR A 12 16.614 3.524 -17.320 1.00 0.00 H new ATOM 0 HB THR A 12 16.541 1.458 -19.545 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.674 1.092 -18.426 1.00 0.00 H new ATOM 0 HG21 THR A 12 18.631 2.498 -20.342 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.292 3.668 -20.417 1.00 0.00 H new ATOM 0 HG23 THR A 12 18.488 3.767 -19.103 1.00 0.00 H new ATOM 173 N ALA A 13 15.544 5.176 -18.703 1.00 0.00 N ATOM 174 CA ALA A 13 14.816 6.221 -19.403 1.00 0.00 C ATOM 175 C ALA A 13 15.794 7.317 -19.832 1.00 0.00 C ATOM 176 O ALA A 13 16.683 7.694 -19.071 1.00 0.00 O ATOM 177 CB ALA A 13 13.699 6.755 -18.505 1.00 0.00 C ATOM 0 H ALA A 13 16.315 5.508 -18.124 1.00 0.00 H new ATOM 0 HA ALA A 13 14.348 5.825 -20.304 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.153 7.539 -19.030 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.016 5.944 -18.253 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.131 7.163 -17.591 1.00 0.00 H new ATOM 183 N LEU A 14 15.595 7.799 -21.050 1.00 0.00 N ATOM 184 CA LEU A 14 16.448 8.843 -21.590 1.00 0.00 C ATOM 185 C LEU A 14 15.589 10.051 -21.972 1.00 0.00 C ATOM 186 O LEU A 14 14.365 10.006 -21.857 1.00 0.00 O ATOM 187 CB LEU A 14 17.295 8.302 -22.743 1.00 0.00 C ATOM 188 CG LEU A 14 18.206 7.119 -22.408 1.00 0.00 C ATOM 189 CD1 LEU A 14 17.637 5.814 -22.970 1.00 0.00 C ATOM 190 CD2 LEU A 14 19.635 7.374 -22.886 1.00 0.00 C ATOM 0 H LEU A 14 14.855 7.485 -21.678 1.00 0.00 H new ATOM 0 HA LEU A 14 17.158 9.181 -20.836 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.626 8.003 -23.550 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.913 9.114 -23.126 1.00 0.00 H new ATOM 0 HG LEU A 14 18.245 7.014 -21.324 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.303 4.989 -22.718 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.653 5.631 -22.539 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.549 5.892 -24.054 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.261 6.518 -22.635 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.637 7.521 -23.966 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.028 8.266 -22.398 1.00 0.00 H new ATOM 201 N ASN A 15 16.263 11.100 -22.420 1.00 0.00 N ATOM 202 CA ASN A 15 15.576 12.315 -22.820 1.00 0.00 C ATOM 203 C ASN A 15 15.679 12.478 -24.338 1.00 0.00 C ATOM 204 O ASN A 15 16.766 12.704 -24.870 1.00 0.00 O ATOM 205 CB ASN A 15 16.210 13.546 -22.168 1.00 0.00 C ATOM 206 CG ASN A 15 15.250 14.193 -21.169 1.00 0.00 C ATOM 207 OD1 ASN A 15 14.154 14.611 -21.502 1.00 0.00 O ATOM 208 ND2 ASN A 15 15.723 14.254 -19.926 1.00 0.00 N ATOM 0 H ASN A 15 17.278 11.133 -22.515 1.00 0.00 H new ATOM 0 HA ASN A 15 14.536 12.234 -22.504 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.131 13.259 -21.660 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.482 14.269 -22.937 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.158 14.670 -19.185 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.650 13.885 -19.714 1.00 0.00 H new ATOM 214 N THR A 16 14.534 12.358 -24.993 1.00 0.00 N ATOM 215 CA THR A 16 14.481 12.487 -26.440 1.00 0.00 C ATOM 216 C THR A 16 13.856 13.829 -26.830 1.00 0.00 C ATOM 217 O THR A 16 12.634 13.957 -26.879 1.00 0.00 O ATOM 218 CB THR A 16 13.727 11.280 -26.996 1.00 0.00 C ATOM 219 OG1 THR A 16 14.654 10.204 -26.873 1.00 0.00 O ATOM 220 CG2 THR A 16 13.479 11.387 -28.502 1.00 0.00 C ATOM 0 H THR A 16 13.635 12.173 -24.548 1.00 0.00 H new ATOM 0 HA THR A 16 15.480 12.489 -26.875 1.00 0.00 H new ATOM 0 HB THR A 16 12.774 11.178 -26.477 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.311 9.420 -27.351 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.940 10.504 -28.846 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.886 12.278 -28.711 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.433 11.456 -29.024 1.00 0.00 H new ATOM 242 N ALA A 18 12.448 16.852 -26.116 1.00 0.00 N ATOM 243 CA ALA A 18 11.802 17.537 -25.009 1.00 0.00 C ATOM 244 C ALA A 18 10.742 16.619 -24.396 1.00 0.00 C ATOM 245 O ALA A 18 9.865 17.079 -23.666 1.00 0.00 O ATOM 246 CB ALA A 18 11.215 18.862 -25.500 1.00 0.00 C ATOM 0 HA ALA A 18 12.525 17.772 -24.228 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.731 19.375 -24.669 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.013 19.488 -25.898 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.482 18.667 -26.283 1.00 0.00 H new ATOM 252 N VAL A 19 10.856 15.339 -24.717 1.00 0.00 N ATOM 253 CA VAL A 19 9.918 14.353 -24.208 1.00 0.00 C ATOM 254 C VAL A 19 10.654 13.392 -23.273 1.00 0.00 C ATOM 255 O VAL A 19 11.873 13.472 -23.127 1.00 0.00 O ATOM 256 CB VAL A 19 9.224 13.642 -25.371 1.00 0.00 C ATOM 257 CG1 VAL A 19 8.458 14.638 -26.244 1.00 0.00 C ATOM 258 CG2 VAL A 19 10.228 12.843 -26.203 1.00 0.00 C ATOM 0 H VAL A 19 11.584 14.962 -25.324 1.00 0.00 H new ATOM 0 HA VAL A 19 9.133 14.836 -23.626 1.00 0.00 H new ATOM 0 HB VAL A 19 8.503 12.940 -24.952 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.974 14.107 -27.063 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.702 15.143 -25.642 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.151 15.375 -26.649 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.708 12.347 -27.023 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.984 13.517 -26.607 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.709 12.094 -25.573 1.00 0.00 H new ATOM 268 N GLN A 20 9.882 12.504 -22.663 1.00 0.00 N ATOM 269 CA GLN A 20 10.445 11.527 -21.746 1.00 0.00 C ATOM 270 C GLN A 20 10.243 10.111 -22.289 1.00 0.00 C ATOM 271 O GLN A 20 9.120 9.713 -22.592 1.00 0.00 O ATOM 272 CB GLN A 20 9.835 11.671 -20.350 1.00 0.00 C ATOM 273 CG GLN A 20 10.385 12.909 -19.637 1.00 0.00 C ATOM 274 CD GLN A 20 11.876 12.750 -19.338 1.00 0.00 C ATOM 275 OE1 GLN A 20 12.513 11.779 -19.713 1.00 0.00 O ATOM 276 NE2 GLN A 20 12.399 13.757 -18.642 1.00 0.00 N ATOM 0 H GLN A 20 8.871 12.441 -22.786 1.00 0.00 H new ATOM 0 HA GLN A 20 11.516 11.713 -21.660 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.750 11.744 -20.429 1.00 0.00 H new ATOM 0 HB3 GLN A 20 10.053 10.780 -19.760 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.227 13.791 -20.257 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.839 13.071 -18.708 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.811 14.541 -18.359 1.00 0.00 H new ATOM 0 HE22 GLN A 20 13.388 13.745 -18.392 1.00 0.00 H new ATOM 283 N LYS A 21 11.350 9.389 -22.394 1.00 0.00 N ATOM 284 CA LYS A 21 11.308 8.025 -22.896 1.00 0.00 C ATOM 285 C LYS A 21 11.694 7.062 -21.771 1.00 0.00 C ATOM 286 O LYS A 21 12.876 6.843 -21.513 1.00 0.00 O ATOM 287 CB LYS A 21 12.177 7.889 -24.146 1.00 0.00 C ATOM 288 CG LYS A 21 11.333 7.495 -25.360 1.00 0.00 C ATOM 289 CD LYS A 21 12.143 7.606 -26.652 1.00 0.00 C ATOM 290 CE LYS A 21 11.959 6.363 -27.523 1.00 0.00 C ATOM 291 NZ LYS A 21 12.593 6.559 -28.848 1.00 0.00 N ATOM 0 H LYS A 21 12.280 9.722 -22.140 1.00 0.00 H new ATOM 0 HA LYS A 21 10.297 7.763 -23.208 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.687 8.832 -24.343 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.949 7.139 -23.977 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.972 6.474 -25.240 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.455 8.138 -25.421 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.831 8.492 -27.206 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.199 7.734 -26.414 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.398 5.497 -27.028 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.897 6.154 -27.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.459 5.705 -29.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.156 7.373 -29.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.610 6.736 -28.723 1.00 0.00 H new ATOM 300 N TRP A 22 10.672 6.512 -21.130 1.00 0.00 N ATOM 301 CA TRP A 22 10.889 5.576 -20.040 1.00 0.00 C ATOM 302 C TRP A 22 10.451 4.188 -20.512 1.00 0.00 C ATOM 303 O TRP A 22 9.293 3.992 -20.883 1.00 0.00 O ATOM 304 CB TRP A 22 10.162 6.033 -18.774 1.00 0.00 C ATOM 305 CG TRP A 22 10.889 7.137 -18.003 1.00 0.00 C ATOM 306 CD1 TRP A 22 11.061 8.417 -18.360 1.00 0.00 C ATOM 307 CD2 TRP A 22 11.540 7.005 -16.721 1.00 0.00 C ATOM 308 NE1 TRP A 22 11.771 9.118 -17.408 1.00 0.00 N ATOM 309 CE2 TRP A 22 12.072 8.231 -16.379 1.00 0.00 C ATOM 310 CE3 TRP A 22 11.674 5.887 -15.879 1.00 0.00 C ATOM 311 CZ2 TRP A 22 12.774 8.457 -15.188 1.00 0.00 C ATOM 312 CZ3 TRP A 22 12.379 6.129 -14.695 1.00 0.00 C ATOM 313 CH2 TRP A 22 12.921 7.357 -14.335 1.00 0.00 C ATOM 0 H TRP A 22 9.692 6.697 -21.345 1.00 0.00 H new ATOM 0 HA TRP A 22 11.945 5.535 -19.772 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.168 6.388 -19.046 1.00 0.00 H new ATOM 0 HB3 TRP A 22 10.025 5.175 -18.116 1.00 0.00 H new ATOM 0 HD1 TRP A 22 10.690 8.846 -19.279 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.028 10.104 -17.450 1.00 0.00 H new ATOM 0 HE3 TRP A 22 11.265 4.918 -16.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 13.180 9.427 -14.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 12.511 5.303 -14.012 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.453 7.462 -13.401 1.00 0.00 H new ATOM 323 N HIS A 23 11.398 3.263 -20.483 1.00 0.00 N ATOM 324 CA HIS A 23 11.124 1.898 -20.905 1.00 0.00 C ATOM 325 C HIS A 23 11.391 0.940 -19.744 1.00 0.00 C ATOM 326 O HIS A 23 12.482 0.935 -19.175 1.00 0.00 O ATOM 327 CB HIS A 23 11.923 1.547 -22.160 1.00 0.00 C ATOM 328 CG HIS A 23 13.353 2.034 -22.134 1.00 0.00 C ATOM 329 ND1 HIS A 23 14.409 1.237 -21.727 1.00 0.00 N ATOM 330 CD2 HIS A 23 13.889 3.243 -22.470 1.00 0.00 C ATOM 331 CE1 HIS A 23 15.525 1.946 -21.817 1.00 0.00 C ATOM 332 NE2 HIS A 23 15.200 3.189 -22.277 1.00 0.00 N ATOM 0 H HIS A 23 12.356 3.430 -20.174 1.00 0.00 H new ATOM 0 HA HIS A 23 10.073 1.801 -21.176 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.921 0.465 -22.289 1.00 0.00 H new ATOM 0 HB3 HIS A 23 11.421 1.972 -23.029 1.00 0.00 H new ATOM 0 HD1 HIS A 23 14.340 0.269 -21.412 1.00 0.00 H new ATOM 0 HD2 HIS A 23 13.339 4.099 -22.832 1.00 0.00 H new ATOM 0 HE1 HIS A 23 16.518 1.601 -21.570 1.00 0.00 H new ATOM 339 N PHE A 24 10.376 0.150 -19.425 1.00 0.00 N ATOM 340 CA PHE A 24 10.488 -0.813 -18.341 1.00 0.00 C ATOM 341 C PHE A 24 10.177 -2.229 -18.831 1.00 0.00 C ATOM 342 O PHE A 24 9.047 -2.521 -19.219 1.00 0.00 O ATOM 343 CB PHE A 24 9.457 -0.414 -17.282 1.00 0.00 C ATOM 344 CG PHE A 24 9.933 -0.622 -15.842 1.00 0.00 C ATOM 345 CD1 PHE A 24 10.750 -1.666 -15.541 1.00 0.00 C ATOM 346 CD2 PHE A 24 9.538 0.238 -14.866 1.00 0.00 C ATOM 347 CE1 PHE A 24 11.192 -1.858 -14.204 1.00 0.00 C ATOM 348 CE2 PHE A 24 9.979 0.045 -13.530 1.00 0.00 C ATOM 349 CZ PHE A 24 10.796 -0.999 -13.228 1.00 0.00 C ATOM 0 H PHE A 24 9.472 0.157 -19.898 1.00 0.00 H new ATOM 0 HA PHE A 24 11.503 -0.810 -17.943 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.197 0.635 -17.420 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.546 -0.992 -17.440 1.00 0.00 H new ATOM 0 HD1 PHE A 24 11.063 -2.349 -16.317 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.889 1.067 -15.107 1.00 0.00 H new ATOM 0 HE1 PHE A 24 11.842 -2.686 -13.964 1.00 0.00 H new ATOM 0 HE2 PHE A 24 9.665 0.727 -12.754 1.00 0.00 H new ATOM 0 HZ PHE A 24 11.131 -1.146 -12.212 1.00 0.00 H new ATOM 358 N VAL A 25 11.199 -3.069 -18.797 1.00 0.00 N ATOM 359 CA VAL A 25 11.050 -4.448 -19.230 1.00 0.00 C ATOM 360 C VAL A 25 11.536 -5.383 -18.123 1.00 0.00 C ATOM 361 O VAL A 25 12.739 -5.538 -17.918 1.00 0.00 O ATOM 362 CB VAL A 25 11.783 -4.661 -20.557 1.00 0.00 C ATOM 363 CG1 VAL A 25 11.672 -6.115 -21.018 1.00 0.00 C ATOM 364 CG2 VAL A 25 11.261 -3.704 -21.632 1.00 0.00 C ATOM 0 H VAL A 25 12.135 -2.822 -18.476 1.00 0.00 H new ATOM 0 HA VAL A 25 10.000 -4.679 -19.411 1.00 0.00 H new ATOM 0 HB VAL A 25 12.838 -4.440 -20.395 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.201 -6.239 -21.963 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.113 -6.770 -20.267 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.622 -6.375 -21.154 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.798 -3.876 -22.565 1.00 0.00 H new ATOM 0 HG22 VAL A 25 10.197 -3.879 -21.789 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.416 -2.675 -21.309 1.00 0.00 H new ATOM 374 N LEU A 26 10.575 -5.985 -17.436 1.00 0.00 N ATOM 375 CA LEU A 26 10.890 -6.900 -16.353 1.00 0.00 C ATOM 376 C LEU A 26 10.179 -8.233 -16.596 1.00 0.00 C ATOM 377 O LEU A 26 9.233 -8.575 -15.888 1.00 0.00 O ATOM 378 CB LEU A 26 10.560 -6.265 -15.001 1.00 0.00 C ATOM 379 CG LEU A 26 11.493 -6.630 -13.843 1.00 0.00 C ATOM 380 CD1 LEU A 26 12.694 -5.684 -13.787 1.00 0.00 C ATOM 381 CD2 LEU A 26 10.731 -6.669 -12.517 1.00 0.00 C ATOM 0 H LEU A 26 9.578 -5.856 -17.609 1.00 0.00 H new ATOM 0 HA LEU A 26 11.960 -7.107 -16.328 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.567 -5.181 -15.119 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.544 -6.549 -14.727 1.00 0.00 H new ATOM 0 HG LEU A 26 11.882 -7.633 -14.020 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.340 -5.965 -12.956 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.253 -5.750 -14.720 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.345 -4.661 -13.645 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.417 -6.931 -11.711 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.295 -5.690 -12.319 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.938 -7.414 -12.575 1.00 0.00 H new ATOM 406 N GLY A 28 7.688 -10.329 -17.956 1.00 0.00 N ATOM 407 CA GLY A 28 6.352 -10.203 -18.512 1.00 0.00 C ATOM 408 C GLY A 28 5.739 -8.845 -18.164 1.00 0.00 C ATOM 409 O GLY A 28 4.727 -8.452 -18.742 1.00 0.00 O ATOM 0 HA2 GLY A 28 6.392 -10.321 -19.595 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.717 -11.002 -18.128 1.00 0.00 H new ATOM 413 N TYR A 29 6.379 -8.166 -17.224 1.00 0.00 N ATOM 414 CA TYR A 29 5.910 -6.860 -16.793 1.00 0.00 C ATOM 415 C TYR A 29 6.556 -5.746 -17.618 1.00 0.00 C ATOM 416 O TYR A 29 7.667 -5.310 -17.318 1.00 0.00 O ATOM 417 CB TYR A 29 6.345 -6.716 -15.333 1.00 0.00 C ATOM 418 CG TYR A 29 5.326 -7.250 -14.324 1.00 0.00 C ATOM 419 CD1 TYR A 29 4.919 -8.566 -14.386 1.00 0.00 C ATOM 420 CD2 TYR A 29 4.814 -6.413 -13.353 1.00 0.00 C ATOM 421 CE1 TYR A 29 3.960 -9.069 -13.436 1.00 0.00 C ATOM 422 CE2 TYR A 29 3.855 -6.916 -12.404 1.00 0.00 C ATOM 423 CZ TYR A 29 3.475 -8.219 -12.492 1.00 0.00 C ATOM 424 OH TYR A 29 2.570 -8.693 -11.596 1.00 0.00 O ATOM 0 H TYR A 29 7.219 -8.496 -16.748 1.00 0.00 H new ATOM 0 HA TYR A 29 4.830 -6.780 -16.917 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.290 -7.242 -15.193 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.532 -5.663 -15.122 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.319 -9.220 -15.147 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.132 -5.382 -13.305 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.634 -10.098 -13.473 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.446 -6.273 -11.639 1.00 0.00 H new ATOM 0 HH TYR A 29 2.312 -7.975 -10.981 1.00 0.00 H new ATOM 433 N LYS A 30 5.834 -5.316 -18.642 1.00 0.00 N ATOM 434 CA LYS A 30 6.321 -4.260 -19.513 1.00 0.00 C ATOM 435 C LYS A 30 5.562 -2.966 -19.214 1.00 0.00 C ATOM 436 O LYS A 30 4.368 -2.866 -19.490 1.00 0.00 O ATOM 437 CB LYS A 30 6.245 -4.696 -20.977 1.00 0.00 C ATOM 438 CG LYS A 30 7.608 -5.171 -21.481 1.00 0.00 C ATOM 439 CD LYS A 30 7.454 -6.314 -22.486 1.00 0.00 C ATOM 440 CE LYS A 30 8.631 -6.350 -23.461 1.00 0.00 C ATOM 441 NZ LYS A 30 8.151 -6.232 -24.857 1.00 0.00 N ATOM 0 H LYS A 30 4.914 -5.681 -18.888 1.00 0.00 H new ATOM 0 HA LYS A 30 7.375 -4.061 -19.319 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.515 -5.498 -21.083 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.897 -3.865 -21.590 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.136 -4.340 -21.948 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.216 -5.502 -20.639 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.388 -7.263 -21.955 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.523 -6.193 -23.039 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.321 -5.537 -23.237 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.185 -7.281 -23.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.963 -6.258 -25.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.510 -7.022 -25.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.643 -5.332 -24.974 1.00 0.00 H new ATOM 450 N CYS A 31 6.286 -2.008 -18.654 1.00 0.00 N ATOM 451 CA CYS A 31 5.696 -0.725 -18.315 1.00 0.00 C ATOM 452 C CYS A 31 6.440 0.365 -19.089 1.00 0.00 C ATOM 453 O CYS A 31 7.359 0.990 -18.561 1.00 0.00 O ATOM 454 CB CYS A 31 5.720 -0.471 -16.806 1.00 0.00 C ATOM 455 SG CYS A 31 4.150 -0.838 -15.940 1.00 0.00 S ATOM 0 H CYS A 31 7.276 -2.095 -18.427 1.00 0.00 H new ATOM 0 HA CYS A 31 4.644 -0.719 -18.601 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.512 -1.074 -16.363 1.00 0.00 H new ATOM 0 HB3 CYS A 31 5.979 0.573 -16.632 1.00 0.00 H new ATOM 459 N GLU A 32 6.014 0.562 -20.330 1.00 0.00 N ATOM 460 CA GLU A 32 6.627 1.566 -21.181 1.00 0.00 C ATOM 461 C GLU A 32 5.663 2.732 -21.406 1.00 0.00 C ATOM 462 O GLU A 32 4.480 2.521 -21.670 1.00 0.00 O ATOM 463 CB GLU A 32 7.072 0.957 -22.511 1.00 0.00 C ATOM 464 CG GLU A 32 8.058 -0.192 -22.287 1.00 0.00 C ATOM 465 CD GLU A 32 8.049 -1.160 -23.473 1.00 0.00 C ATOM 466 OE1 GLU A 32 7.875 -0.730 -24.622 1.00 0.00 O ATOM 467 OE2 GLU A 32 8.234 -2.399 -23.165 1.00 0.00 O ATOM 0 H GLU A 32 5.252 0.042 -20.765 1.00 0.00 H new ATOM 0 HA GLU A 32 7.515 1.948 -20.678 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.202 0.593 -23.057 1.00 0.00 H new ATOM 0 HB3 GLU A 32 7.538 1.725 -23.129 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.062 0.208 -22.147 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.797 -0.727 -21.374 1.00 0.00 H new ATOM 473 N ILE A 33 6.205 3.936 -21.293 1.00 0.00 N ATOM 474 CA ILE A 33 5.407 5.136 -21.482 1.00 0.00 C ATOM 475 C ILE A 33 6.111 6.060 -22.476 1.00 0.00 C ATOM 476 O ILE A 33 7.333 6.201 -22.440 1.00 0.00 O ATOM 477 CB ILE A 33 5.106 5.796 -20.135 1.00 0.00 C ATOM 478 CG1 ILE A 33 6.368 6.418 -19.534 1.00 0.00 C ATOM 479 CG2 ILE A 33 4.443 4.807 -19.174 1.00 0.00 C ATOM 480 CD1 ILE A 33 6.081 7.816 -18.980 1.00 0.00 C ATOM 0 H ILE A 33 7.186 4.106 -21.073 1.00 0.00 H new ATOM 0 HA ILE A 33 4.437 4.885 -21.912 1.00 0.00 H new ATOM 0 HB ILE A 33 4.396 6.606 -20.304 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.749 5.779 -18.738 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.146 6.477 -20.295 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.240 5.303 -18.225 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.507 4.452 -19.605 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.109 3.961 -19.006 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.995 8.235 -18.559 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.723 8.460 -19.784 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.320 7.750 -18.202 1.00 0.00 H new ATOM 491 N LEU A 34 5.311 6.667 -23.340 1.00 0.00 N ATOM 492 CA LEU A 34 5.843 7.574 -24.343 1.00 0.00 C ATOM 493 C LEU A 34 5.306 8.984 -24.085 1.00 0.00 C ATOM 494 O LEU A 34 4.685 9.584 -24.961 1.00 0.00 O ATOM 495 CB LEU A 34 5.547 7.052 -25.750 1.00 0.00 C ATOM 496 CG LEU A 34 4.316 6.153 -25.886 1.00 0.00 C ATOM 497 CD1 LEU A 34 4.541 4.806 -25.197 1.00 0.00 C ATOM 498 CD2 LEU A 34 3.063 6.861 -25.371 1.00 0.00 C ATOM 0 H LEU A 34 4.298 6.549 -23.366 1.00 0.00 H new ATOM 0 HA LEU A 34 6.929 7.627 -24.270 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.423 7.907 -26.415 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.418 6.498 -26.101 1.00 0.00 H new ATOM 0 HG LEU A 34 4.157 5.948 -26.945 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.651 4.187 -25.309 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.393 4.302 -25.653 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.739 4.968 -24.138 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.202 6.201 -25.479 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.195 7.116 -24.320 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.897 7.771 -25.947 1.00 0.00 H new ATOM 509 N ALA A 35 5.563 9.470 -22.880 1.00 0.00 N ATOM 510 CA ALA A 35 5.112 10.798 -22.497 1.00 0.00 C ATOM 511 C ALA A 35 6.324 11.661 -22.144 1.00 0.00 C ATOM 512 O ALA A 35 7.405 11.477 -22.703 1.00 0.00 O ATOM 513 CB ALA A 35 4.119 10.684 -21.338 1.00 0.00 C ATOM 0 H ALA A 35 6.078 8.969 -22.156 1.00 0.00 H new ATOM 0 HA ALA A 35 4.593 11.282 -23.325 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.780 11.679 -21.050 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.263 10.085 -21.650 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.606 10.206 -20.488 1.00 0.00 H new ATOM 571 N LYS B 5 -15.267 -10.001 -16.452 1.00 0.00 N ATOM 572 CA LYS B 5 -14.236 -8.977 -16.462 1.00 0.00 C ATOM 573 C LYS B 5 -13.911 -8.571 -15.024 1.00 0.00 C ATOM 574 O LYS B 5 -14.799 -8.524 -14.172 1.00 0.00 O ATOM 575 CB LYS B 5 -14.653 -7.805 -17.352 1.00 0.00 C ATOM 576 CG LYS B 5 -13.536 -6.765 -17.451 1.00 0.00 C ATOM 577 CD LYS B 5 -14.110 -5.348 -17.512 1.00 0.00 C ATOM 578 CE LYS B 5 -13.806 -4.693 -18.862 1.00 0.00 C ATOM 579 NZ LYS B 5 -14.613 -5.318 -19.934 1.00 0.00 N ATOM 0 HA LYS B 5 -13.317 -9.368 -16.898 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -14.903 -8.171 -18.348 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -15.553 -7.340 -16.949 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -12.873 -6.856 -16.591 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -12.934 -6.956 -18.339 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -15.188 -5.381 -17.354 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -13.688 -4.745 -16.708 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -14.021 -3.626 -18.812 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -12.745 -4.794 -19.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -14.395 -4.862 -20.843 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -14.388 -6.332 -19.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -15.624 -5.200 -19.721 1.00 0.00 H new ATOM 588 N PHE B 6 -12.637 -8.290 -14.795 1.00 0.00 N ATOM 589 CA PHE B 6 -12.185 -7.889 -13.473 1.00 0.00 C ATOM 590 C PHE B 6 -11.637 -6.461 -13.491 1.00 0.00 C ATOM 591 O PHE B 6 -10.544 -6.216 -14.003 1.00 0.00 O ATOM 592 CB PHE B 6 -11.059 -8.849 -13.076 1.00 0.00 C ATOM 593 CG PHE B 6 -10.914 -9.045 -11.567 1.00 0.00 C ATOM 594 CD1 PHE B 6 -11.942 -9.566 -10.845 1.00 0.00 C ATOM 595 CD2 PHE B 6 -9.755 -8.696 -10.944 1.00 0.00 C ATOM 596 CE1 PHE B 6 -11.805 -9.748 -9.444 1.00 0.00 C ATOM 597 CE2 PHE B 6 -9.619 -8.878 -9.543 1.00 0.00 C ATOM 598 CZ PHE B 6 -10.648 -9.400 -8.822 1.00 0.00 C ATOM 0 H PHE B 6 -11.903 -8.332 -15.502 1.00 0.00 H new ATOM 0 HA PHE B 6 -13.017 -7.922 -12.769 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -11.240 -9.818 -13.542 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -10.117 -8.473 -13.476 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -12.863 -9.841 -11.338 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -8.939 -8.280 -11.516 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -12.621 -10.164 -8.872 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -8.699 -8.602 -9.049 1.00 0.00 H new ATOM 0 HZ PHE B 6 -10.545 -9.538 -7.756 1.00 0.00 H new ATOM 607 N THR B 7 -12.419 -5.555 -12.926 1.00 0.00 N ATOM 608 CA THR B 7 -12.027 -4.157 -12.870 1.00 0.00 C ATOM 609 C THR B 7 -11.858 -3.708 -11.418 1.00 0.00 C ATOM 610 O THR B 7 -12.823 -3.296 -10.776 1.00 0.00 O ATOM 611 CB THR B 7 -13.067 -3.341 -13.642 1.00 0.00 C ATOM 612 OG1 THR B 7 -12.762 -3.594 -15.010 1.00 0.00 O ATOM 613 CG2 THR B 7 -12.862 -1.833 -13.486 1.00 0.00 C ATOM 0 H THR B 7 -13.324 -5.761 -12.502 1.00 0.00 H new ATOM 0 HA THR B 7 -11.056 -4.000 -13.341 1.00 0.00 H new ATOM 0 HB THR B 7 -14.066 -3.608 -13.298 1.00 0.00 H new ATOM 0 HG1 THR B 7 -13.337 -3.043 -15.581 1.00 0.00 H new ATOM 0 HG21 THR B 7 -13.626 -1.301 -14.053 1.00 0.00 H new ATOM 0 HG22 THR B 7 -12.938 -1.562 -12.433 1.00 0.00 H new ATOM 0 HG23 THR B 7 -11.876 -1.559 -13.861 1.00 0.00 H new ATOM 621 N VAL B 8 -10.624 -3.802 -10.943 1.00 0.00 N ATOM 622 CA VAL B 8 -10.317 -3.410 -9.577 1.00 0.00 C ATOM 623 C VAL B 8 -9.575 -2.072 -9.589 1.00 0.00 C ATOM 624 O VAL B 8 -8.383 -2.023 -9.888 1.00 0.00 O ATOM 625 CB VAL B 8 -9.532 -4.523 -8.878 1.00 0.00 C ATOM 626 CG1 VAL B 8 -8.350 -4.981 -9.735 1.00 0.00 C ATOM 627 CG2 VAL B 8 -9.064 -4.075 -7.492 1.00 0.00 C ATOM 0 H VAL B 8 -9.826 -4.143 -11.479 1.00 0.00 H new ATOM 0 HA VAL B 8 -11.234 -3.268 -9.005 1.00 0.00 H new ATOM 0 HB VAL B 8 -10.200 -5.374 -8.747 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -7.809 -5.772 -9.216 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -8.717 -5.359 -10.689 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -7.681 -4.139 -9.911 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -8.509 -4.884 -7.016 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -8.420 -3.201 -7.590 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -9.930 -3.820 -6.880 1.00 0.00 H new ATOM 651 N GLY B 10 -8.343 0.692 -11.142 1.00 0.00 N ATOM 652 CA GLY B 10 -8.006 1.154 -12.478 1.00 0.00 C ATOM 653 C GLY B 10 -7.299 0.056 -13.275 1.00 0.00 C ATOM 654 O GLY B 10 -6.757 0.315 -14.349 1.00 0.00 O ATOM 0 HA2 GLY B 10 -8.912 1.461 -13.000 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -7.363 2.032 -12.412 1.00 0.00 H new ATOM 658 N ARG B 11 -7.330 -1.147 -12.722 1.00 0.00 N ATOM 659 CA ARG B 11 -6.699 -2.285 -13.369 1.00 0.00 C ATOM 660 C ARG B 11 -7.759 -3.192 -13.999 1.00 0.00 C ATOM 661 O ARG B 11 -8.542 -3.823 -13.291 1.00 0.00 O ATOM 662 CB ARG B 11 -5.872 -3.097 -12.371 1.00 0.00 C ATOM 663 CG ARG B 11 -4.566 -2.377 -12.027 1.00 0.00 C ATOM 664 CD ARG B 11 -4.804 -1.268 -11.002 1.00 0.00 C ATOM 665 NE ARG B 11 -4.370 0.035 -11.555 1.00 0.00 N ATOM 666 CZ ARG B 11 -4.003 1.093 -10.801 1.00 0.00 C ATOM 667 NH1 ARG B 11 -4.014 1.011 -9.453 1.00 0.00 N ATOM 668 NH2 ARG B 11 -3.632 2.208 -11.401 1.00 0.00 N ATOM 0 H ARG B 11 -7.782 -1.359 -11.833 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.037 -1.900 -14.145 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -6.451 -3.262 -11.462 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -5.651 -4.079 -12.790 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -3.845 -3.093 -11.632 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.131 -1.953 -12.932 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -5.861 -1.226 -10.738 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -4.255 -1.485 -10.086 1.00 0.00 H new ATOM 0 HE ARG B 11 -4.347 0.140 -12.569 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -4.301 0.145 -8.997 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -3.735 1.815 -8.891 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -3.626 2.261 -12.420 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -3.352 3.017 -10.846 1.00 0.00 H new ATOM 678 N THR B 12 -7.748 -3.227 -15.324 1.00 0.00 N ATOM 679 CA THR B 12 -8.699 -4.046 -16.057 1.00 0.00 C ATOM 680 C THR B 12 -8.011 -5.298 -16.606 1.00 0.00 C ATOM 681 O THR B 12 -7.229 -5.217 -17.552 1.00 0.00 O ATOM 682 CB THR B 12 -9.333 -3.175 -17.143 1.00 0.00 C ATOM 683 OG1 THR B 12 -10.222 -2.322 -16.428 1.00 0.00 O ATOM 684 CG2 THR B 12 -10.250 -3.974 -18.072 1.00 0.00 C ATOM 0 H THR B 12 -7.097 -2.702 -15.908 1.00 0.00 H new ATOM 0 HA THR B 12 -9.494 -4.409 -15.406 1.00 0.00 H new ATOM 0 HB THR B 12 -8.548 -2.697 -17.730 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.944 -2.856 -16.036 1.00 0.00 H new ATOM 0 HG21 THR B 12 -10.674 -3.309 -18.824 1.00 0.00 H new ATOM 0 HG22 THR B 12 -9.675 -4.759 -18.564 1.00 0.00 H new ATOM 0 HG23 THR B 12 -11.054 -4.424 -17.490 1.00 0.00 H new ATOM 692 N ALA B 13 -8.329 -6.427 -15.990 1.00 0.00 N ATOM 693 CA ALA B 13 -7.752 -7.694 -16.405 1.00 0.00 C ATOM 694 C ALA B 13 -8.876 -8.685 -16.714 1.00 0.00 C ATOM 695 O ALA B 13 -9.925 -8.659 -16.071 1.00 0.00 O ATOM 696 CB ALA B 13 -6.807 -8.206 -15.316 1.00 0.00 C ATOM 0 H ALA B 13 -8.979 -6.491 -15.207 1.00 0.00 H new ATOM 0 HA ALA B 13 -7.164 -7.568 -17.314 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -6.374 -9.157 -15.627 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -6.010 -7.480 -15.155 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -7.363 -8.347 -14.389 1.00 0.00 H new ATOM 702 N LEU B 14 -8.620 -9.535 -17.698 1.00 0.00 N ATOM 703 CA LEU B 14 -9.598 -10.531 -18.099 1.00 0.00 C ATOM 704 C LEU B 14 -8.968 -11.923 -18.007 1.00 0.00 C ATOM 705 O LEU B 14 -7.745 -12.057 -18.034 1.00 0.00 O ATOM 706 CB LEU B 14 -10.161 -10.202 -19.483 1.00 0.00 C ATOM 707 CG LEU B 14 -11.578 -10.705 -19.768 1.00 0.00 C ATOM 708 CD1 LEU B 14 -12.615 -9.623 -19.463 1.00 0.00 C ATOM 709 CD2 LEU B 14 -11.697 -11.226 -21.202 1.00 0.00 C ATOM 0 H LEU B 14 -7.749 -9.554 -18.229 1.00 0.00 H new ATOM 0 HA LEU B 14 -10.452 -10.521 -17.422 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -10.149 -9.120 -19.610 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -9.491 -10.619 -20.235 1.00 0.00 H new ATOM 0 HG LEU B 14 -11.783 -11.544 -19.103 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -13.613 -10.006 -19.674 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -12.549 -9.342 -18.412 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -12.423 -8.749 -20.085 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -12.714 -11.577 -21.378 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -11.464 -10.423 -21.901 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -10.998 -12.049 -21.349 1.00 0.00 H new ATOM 720 N ASN B 15 -9.831 -12.922 -17.900 1.00 0.00 N ATOM 721 CA ASN B 15 -9.374 -14.298 -17.805 1.00 0.00 C ATOM 722 C ASN B 15 -9.866 -15.081 -19.024 1.00 0.00 C ATOM 723 O ASN B 15 -10.927 -15.702 -18.980 1.00 0.00 O ATOM 724 CB ASN B 15 -9.931 -14.977 -16.551 1.00 0.00 C ATOM 725 CG ASN B 15 -9.133 -14.573 -15.310 1.00 0.00 C ATOM 726 OD1 ASN B 15 -8.017 -14.088 -15.387 1.00 0.00 O ATOM 727 ND2 ASN B 15 -9.767 -14.801 -14.162 1.00 0.00 N ATOM 0 H ASN B 15 -10.844 -12.806 -17.877 1.00 0.00 H new ATOM 0 HA ASN B 15 -8.285 -14.289 -17.758 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -10.978 -14.704 -16.420 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -9.897 -16.060 -16.673 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -9.318 -14.567 -13.276 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -10.701 -15.210 -14.168 1.00 0.00 H new ATOM 733 N THR B 16 -9.072 -15.023 -20.082 1.00 0.00 N ATOM 734 CA THR B 16 -9.413 -15.720 -21.312 1.00 0.00 C ATOM 735 C THR B 16 -8.341 -16.757 -21.653 1.00 0.00 C ATOM 736 O THR B 16 -7.150 -16.493 -21.508 1.00 0.00 O ATOM 737 CB THR B 16 -9.616 -14.671 -22.408 1.00 0.00 C ATOM 738 OG1 THR B 16 -9.972 -15.435 -23.557 1.00 0.00 O ATOM 739 CG2 THR B 16 -8.309 -13.983 -22.808 1.00 0.00 C ATOM 0 H THR B 16 -8.194 -14.505 -20.114 1.00 0.00 H new ATOM 0 HA THR B 16 -10.340 -16.283 -21.204 1.00 0.00 H new ATOM 0 HB THR B 16 -10.331 -13.922 -22.067 1.00 0.00 H new ATOM 0 HG1 THR B 16 -10.124 -14.833 -24.316 1.00 0.00 H new ATOM 0 HG21 THR B 16 -8.508 -13.248 -23.588 1.00 0.00 H new ATOM 0 HG22 THR B 16 -7.881 -13.483 -21.940 1.00 0.00 H new ATOM 0 HG23 THR B 16 -7.606 -14.727 -23.182 1.00 0.00 H new ATOM 761 N ALA B 18 -7.660 -19.123 -20.081 1.00 0.00 N ATOM 762 CA ALA B 18 -7.181 -19.655 -18.815 1.00 0.00 C ATOM 763 C ALA B 18 -5.864 -18.970 -18.445 1.00 0.00 C ATOM 764 O ALA B 18 -5.117 -19.468 -17.604 1.00 0.00 O ATOM 765 CB ALA B 18 -7.037 -21.175 -18.923 1.00 0.00 C ATOM 0 HA ALA B 18 -7.895 -19.450 -18.017 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -6.678 -21.575 -17.975 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -8.005 -21.616 -19.160 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -6.325 -21.418 -19.712 1.00 0.00 H new ATOM 771 N VAL B 19 -5.620 -17.839 -19.090 1.00 0.00 N ATOM 772 CA VAL B 19 -4.407 -17.080 -18.839 1.00 0.00 C ATOM 773 C VAL B 19 -4.768 -15.767 -18.141 1.00 0.00 C ATOM 774 O VAL B 19 -5.910 -15.317 -18.208 1.00 0.00 O ATOM 775 CB VAL B 19 -3.641 -16.872 -20.146 1.00 0.00 C ATOM 776 CG1 VAL B 19 -4.200 -15.682 -20.927 1.00 0.00 C ATOM 777 CG2 VAL B 19 -2.143 -16.699 -19.881 1.00 0.00 C ATOM 0 H VAL B 19 -6.242 -17.430 -19.787 1.00 0.00 H new ATOM 0 HA VAL B 19 -3.742 -17.630 -18.173 1.00 0.00 H new ATOM 0 HB VAL B 19 -3.773 -17.765 -20.757 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -3.637 -15.557 -21.852 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -5.249 -15.862 -21.162 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -4.113 -14.778 -20.324 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -1.621 -16.553 -20.826 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.985 -15.831 -19.241 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -1.756 -17.590 -19.387 1.00 0.00 H new ATOM 787 N GLN B 20 -3.771 -15.187 -17.488 1.00 0.00 N ATOM 788 CA GLN B 20 -3.967 -13.935 -16.780 1.00 0.00 C ATOM 789 C GLN B 20 -3.564 -12.755 -17.665 1.00 0.00 C ATOM 790 O GLN B 20 -2.383 -12.568 -17.956 1.00 0.00 O ATOM 791 CB GLN B 20 -3.191 -13.923 -15.461 1.00 0.00 C ATOM 792 CG GLN B 20 -4.142 -13.859 -14.265 1.00 0.00 C ATOM 793 CD GLN B 20 -4.044 -15.129 -13.418 1.00 0.00 C ATOM 794 OE1 GLN B 20 -2.974 -15.562 -13.023 1.00 0.00 O ATOM 795 NE2 GLN B 20 -5.217 -15.700 -13.160 1.00 0.00 N ATOM 0 H GLN B 20 -2.824 -15.563 -17.435 1.00 0.00 H new ATOM 0 HA GLN B 20 -5.026 -13.838 -16.541 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -2.573 -14.818 -15.391 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -2.516 -13.067 -15.440 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -3.903 -12.990 -13.652 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -5.166 -13.730 -14.616 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -6.076 -15.286 -13.521 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -5.257 -16.552 -12.601 1.00 0.00 H new ATOM 802 N LYS B 21 -4.567 -11.988 -18.067 1.00 0.00 N ATOM 803 CA LYS B 21 -4.330 -10.832 -18.914 1.00 0.00 C ATOM 804 C LYS B 21 -4.667 -9.558 -18.136 1.00 0.00 C ATOM 805 O LYS B 21 -5.838 -9.236 -17.942 1.00 0.00 O ATOM 806 CB LYS B 21 -5.095 -10.966 -20.233 1.00 0.00 C ATOM 807 CG LYS B 21 -4.662 -9.891 -21.231 1.00 0.00 C ATOM 808 CD LYS B 21 -4.575 -10.461 -22.648 1.00 0.00 C ATOM 809 CE LYS B 21 -5.048 -9.437 -23.681 1.00 0.00 C ATOM 810 NZ LYS B 21 -5.276 -10.089 -24.990 1.00 0.00 N ATOM 0 H LYS B 21 -5.545 -12.145 -17.822 1.00 0.00 H new ATOM 0 HA LYS B 21 -3.277 -10.771 -19.188 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -4.921 -11.954 -20.659 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -6.166 -10.883 -20.046 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -5.372 -9.064 -21.211 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -3.693 -9.487 -20.938 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.547 -10.753 -22.864 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -5.184 -11.362 -22.719 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -5.968 -8.964 -23.338 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -4.304 -8.647 -23.786 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -5.597 -9.380 -25.680 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -4.390 -10.519 -25.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -6.002 -10.827 -24.889 1.00 0.00 H new ATOM 819 N TRP B 22 -3.619 -8.868 -17.710 1.00 0.00 N ATOM 820 CA TRP B 22 -3.788 -7.637 -16.958 1.00 0.00 C ATOM 821 C TRP B 22 -3.304 -6.478 -17.830 1.00 0.00 C ATOM 822 O TRP B 22 -2.117 -6.380 -18.134 1.00 0.00 O ATOM 823 CB TRP B 22 -3.067 -7.714 -15.611 1.00 0.00 C ATOM 824 CG TRP B 22 -3.776 -8.587 -14.574 1.00 0.00 C ATOM 825 CD1 TRP B 22 -4.113 -9.879 -14.675 1.00 0.00 C ATOM 826 CD2 TRP B 22 -4.223 -8.174 -13.265 1.00 0.00 C ATOM 827 NE1 TRP B 22 -4.743 -10.329 -13.532 1.00 0.00 N ATOM 828 CE2 TRP B 22 -4.811 -9.260 -12.647 1.00 0.00 C ATOM 829 CE3 TRP B 22 -4.133 -6.927 -12.624 1.00 0.00 C ATOM 830 CZ2 TRP B 22 -5.356 -9.206 -11.358 1.00 0.00 C ATOM 831 CZ3 TRP B 22 -4.681 -6.890 -11.336 1.00 0.00 C ATOM 832 CH2 TRP B 22 -5.278 -7.973 -10.701 1.00 0.00 C ATOM 0 H TRP B 22 -2.649 -9.139 -17.872 1.00 0.00 H new ATOM 0 HA TRP B 22 -4.838 -7.474 -16.717 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -2.061 -8.102 -15.771 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -2.960 -6.706 -15.210 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -3.917 -10.492 -15.542 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -5.094 -11.272 -13.367 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -3.677 -6.065 -13.088 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -5.812 -10.069 -10.896 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -4.637 -5.954 -10.798 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -5.680 -7.863 -9.705 1.00 0.00 H new ATOM 842 N HIS B 23 -4.249 -5.629 -18.209 1.00 0.00 N ATOM 843 CA HIS B 23 -3.932 -4.481 -19.041 1.00 0.00 C ATOM 844 C HIS B 23 -4.222 -3.193 -18.268 1.00 0.00 C ATOM 845 O HIS B 23 -5.294 -3.042 -17.685 1.00 0.00 O ATOM 846 CB HIS B 23 -4.679 -4.554 -20.374 1.00 0.00 C ATOM 847 CG HIS B 23 -6.112 -5.015 -20.251 1.00 0.00 C ATOM 848 ND1 HIS B 23 -6.456 -6.328 -19.983 1.00 0.00 N ATOM 849 CD2 HIS B 23 -7.282 -4.323 -20.360 1.00 0.00 C ATOM 850 CE1 HIS B 23 -7.779 -6.412 -19.938 1.00 0.00 C ATOM 851 NE2 HIS B 23 -8.289 -5.169 -20.171 1.00 0.00 N ATOM 0 H HIS B 23 -5.233 -5.714 -17.955 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.870 -4.486 -19.286 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -4.664 -3.570 -20.842 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -4.146 -5.232 -21.041 1.00 0.00 H new ATOM 0 HD1 HIS B 23 -5.804 -7.100 -19.844 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -7.374 -3.267 -20.565 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -8.352 -7.308 -19.750 1.00 0.00 H new ATOM 858 N PHE B 24 -3.247 -2.295 -18.290 1.00 0.00 N ATOM 859 CA PHE B 24 -3.384 -1.024 -17.600 1.00 0.00 C ATOM 860 C PHE B 24 -3.253 0.147 -18.575 1.00 0.00 C ATOM 861 O PHE B 24 -2.226 0.298 -19.236 1.00 0.00 O ATOM 862 CB PHE B 24 -2.252 -0.948 -16.574 1.00 0.00 C ATOM 863 CG PHE B 24 -2.124 -2.193 -15.694 1.00 0.00 C ATOM 864 CD1 PHE B 24 -3.219 -2.697 -15.066 1.00 0.00 C ATOM 865 CD2 PHE B 24 -0.914 -2.797 -15.540 1.00 0.00 C ATOM 866 CE1 PHE B 24 -3.101 -3.853 -14.249 1.00 0.00 C ATOM 867 CE2 PHE B 24 -0.796 -3.952 -14.724 1.00 0.00 C ATOM 868 CZ PHE B 24 -1.892 -4.455 -14.096 1.00 0.00 C ATOM 0 H PHE B 24 -2.359 -2.423 -18.775 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.365 -0.960 -17.129 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.310 -0.788 -17.099 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -2.412 -0.079 -15.935 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.179 -2.218 -15.188 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -0.044 -2.397 -16.039 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.971 -4.253 -13.750 1.00 0.00 H new ATOM 0 HE2 PHE B 24 0.164 -4.431 -14.602 1.00 0.00 H new ATOM 0 HZ PHE B 24 -1.802 -5.334 -13.475 1.00 0.00 H new ATOM 877 N VAL B 25 -4.307 0.948 -18.635 1.00 0.00 N ATOM 878 CA VAL B 25 -4.323 2.100 -19.519 1.00 0.00 C ATOM 879 C VAL B 25 -4.510 3.372 -18.688 1.00 0.00 C ATOM 880 O VAL B 25 -5.585 3.604 -18.137 1.00 0.00 O ATOM 881 CB VAL B 25 -5.398 1.923 -20.591 1.00 0.00 C ATOM 882 CG1 VAL B 25 -5.071 0.742 -21.506 1.00 0.00 C ATOM 883 CG2 VAL B 25 -6.782 1.761 -19.959 1.00 0.00 C ATOM 0 H VAL B 25 -5.157 0.821 -18.085 1.00 0.00 H new ATOM 0 HA VAL B 25 -3.372 2.191 -20.044 1.00 0.00 H new ATOM 0 HB VAL B 25 -5.413 2.825 -21.202 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -5.852 0.638 -22.259 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -4.114 0.916 -21.997 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -5.014 -0.172 -20.914 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -7.528 1.637 -20.744 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -6.786 0.884 -19.312 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -7.019 2.647 -19.370 1.00 0.00 H new ATOM 893 N LEU B 26 -3.447 4.162 -18.623 1.00 0.00 N ATOM 894 CA LEU B 26 -3.481 5.402 -17.869 1.00 0.00 C ATOM 895 C LEU B 26 -3.086 6.562 -18.787 1.00 0.00 C ATOM 896 O LEU B 26 -2.011 7.137 -18.635 1.00 0.00 O ATOM 897 CB LEU B 26 -2.616 5.290 -16.612 1.00 0.00 C ATOM 898 CG LEU B 26 -2.485 6.562 -15.773 1.00 0.00 C ATOM 899 CD1 LEU B 26 -3.786 6.865 -15.029 1.00 0.00 C ATOM 900 CD2 LEU B 26 -1.288 6.469 -14.823 1.00 0.00 C ATOM 0 H LEU B 26 -2.557 3.966 -19.081 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.491 5.605 -17.514 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.028 4.503 -15.981 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.617 4.970 -16.909 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.299 7.399 -16.446 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -3.665 7.774 -14.440 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.593 7.003 -15.749 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.029 6.034 -14.367 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.216 7.386 -14.237 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.421 5.620 -14.153 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.374 6.336 -15.401 1.00 0.00 H new ATOM 925 N GLY B 28 -1.528 8.043 -21.586 1.00 0.00 N ATOM 926 CA GLY B 28 -0.461 7.731 -22.521 1.00 0.00 C ATOM 927 C GLY B 28 0.423 6.602 -21.988 1.00 0.00 C ATOM 928 O GLY B 28 1.283 6.091 -22.706 1.00 0.00 O ATOM 0 HA2 GLY B 28 -0.887 7.441 -23.481 1.00 0.00 H new ATOM 0 HA3 GLY B 28 0.145 8.620 -22.697 1.00 0.00 H new ATOM 932 N TYR B 29 0.180 6.244 -20.737 1.00 0.00 N ATOM 933 CA TYR B 29 0.944 5.184 -20.100 1.00 0.00 C ATOM 934 C TYR B 29 0.344 3.812 -20.414 1.00 0.00 C ATOM 935 O TYR B 29 -0.809 3.543 -20.082 1.00 0.00 O ATOM 936 CB TYR B 29 0.843 5.438 -18.595 1.00 0.00 C ATOM 937 CG TYR B 29 1.730 6.583 -18.097 1.00 0.00 C ATOM 938 CD1 TYR B 29 1.671 7.817 -18.710 1.00 0.00 C ATOM 939 CD2 TYR B 29 2.588 6.378 -17.035 1.00 0.00 C ATOM 940 CE1 TYR B 29 2.504 8.893 -18.241 1.00 0.00 C ATOM 941 CE2 TYR B 29 3.422 7.455 -16.567 1.00 0.00 C ATOM 942 CZ TYR B 29 3.339 8.659 -17.193 1.00 0.00 C ATOM 943 OH TYR B 29 4.126 9.676 -16.750 1.00 0.00 O ATOM 0 H TYR B 29 -0.535 6.669 -20.146 1.00 0.00 H new ATOM 0 HA TYR B 29 1.974 5.186 -20.456 1.00 0.00 H new ATOM 0 HB2 TYR B 29 -0.194 5.659 -18.343 1.00 0.00 H new ATOM 0 HB3 TYR B 29 1.113 4.525 -18.064 1.00 0.00 H new ATOM 0 HD1 TYR B 29 1.000 7.976 -19.541 1.00 0.00 H new ATOM 0 HD2 TYR B 29 2.634 5.411 -16.556 1.00 0.00 H new ATOM 0 HE1 TYR B 29 2.467 9.865 -18.711 1.00 0.00 H new ATOM 0 HE2 TYR B 29 4.098 7.309 -15.737 1.00 0.00 H new ATOM 0 HH TYR B 29 4.669 9.365 -15.996 1.00 0.00 H new ATOM 952 N LYS B 30 1.155 2.979 -21.051 1.00 0.00 N ATOM 953 CA LYS B 30 0.717 1.641 -21.414 1.00 0.00 C ATOM 954 C LYS B 30 1.524 0.612 -20.619 1.00 0.00 C ATOM 955 O LYS B 30 2.703 0.395 -20.896 1.00 0.00 O ATOM 956 CB LYS B 30 0.795 1.445 -22.931 1.00 0.00 C ATOM 957 CG LYS B 30 -0.534 0.927 -23.485 1.00 0.00 C ATOM 958 CD LYS B 30 -0.753 1.406 -24.920 1.00 0.00 C ATOM 959 CE LYS B 30 -0.755 0.228 -25.897 1.00 0.00 C ATOM 960 NZ LYS B 30 0.233 0.448 -26.977 1.00 0.00 N ATOM 0 H LYS B 30 2.111 3.204 -21.325 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.331 1.498 -21.150 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.050 2.390 -23.411 1.00 0.00 H new ATOM 0 HB3 LYS B 30 1.592 0.741 -23.170 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.544 -0.163 -23.456 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.354 1.270 -22.854 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.700 1.941 -24.988 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.032 2.111 -25.196 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -0.521 -0.694 -25.365 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.750 0.105 -26.326 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 0.218 -0.361 -27.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -0.007 1.317 -27.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.183 0.543 -26.564 1.00 0.00 H new ATOM 969 N CYS B 31 0.857 0.009 -19.646 1.00 0.00 N ATOM 970 CA CYS B 31 1.499 -0.991 -18.809 1.00 0.00 C ATOM 971 C CYS B 31 0.774 -2.323 -19.011 1.00 0.00 C ATOM 972 O CYS B 31 -0.353 -2.497 -18.549 1.00 0.00 O ATOM 973 CB CYS B 31 1.517 -0.570 -17.339 1.00 0.00 C ATOM 974 SG CYS B 31 2.885 0.557 -16.880 1.00 0.00 S ATOM 0 H CYS B 31 -0.120 0.193 -19.419 1.00 0.00 H new ATOM 0 HA CYS B 31 2.543 -1.098 -19.102 1.00 0.00 H new ATOM 0 HB2 CYS B 31 0.570 -0.084 -17.103 1.00 0.00 H new ATOM 0 HB3 CYS B 31 1.579 -1.465 -16.720 1.00 0.00 H new ATOM 978 N GLU B 32 1.450 -3.228 -19.705 1.00 0.00 N ATOM 979 CA GLU B 32 0.885 -4.540 -19.974 1.00 0.00 C ATOM 980 C GLU B 32 1.725 -5.627 -19.303 1.00 0.00 C ATOM 981 O GLU B 32 2.949 -5.635 -19.423 1.00 0.00 O ATOM 982 CB GLU B 32 0.768 -4.788 -21.478 1.00 0.00 C ATOM 983 CG GLU B 32 -0.643 -4.471 -21.979 1.00 0.00 C ATOM 984 CD GLU B 32 -0.864 -5.032 -23.385 1.00 0.00 C ATOM 985 OE1 GLU B 32 -0.815 -6.255 -23.581 1.00 0.00 O ATOM 986 OE2 GLU B 32 -1.095 -4.147 -24.295 1.00 0.00 O ATOM 0 H GLU B 32 2.383 -3.078 -20.089 1.00 0.00 H new ATOM 0 HA GLU B 32 -0.120 -4.574 -19.554 1.00 0.00 H new ATOM 0 HB2 GLU B 32 1.493 -4.172 -22.009 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.011 -5.827 -21.699 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -1.379 -4.893 -21.295 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -0.797 -3.392 -21.986 1.00 0.00 H new ATOM 992 N ILE B 33 1.033 -6.520 -18.610 1.00 0.00 N ATOM 993 CA ILE B 33 1.700 -7.612 -17.919 1.00 0.00 C ATOM 994 C ILE B 33 0.947 -8.916 -18.187 1.00 0.00 C ATOM 995 O ILE B 33 -0.281 -8.956 -18.106 1.00 0.00 O ATOM 996 CB ILE B 33 1.859 -7.287 -16.433 1.00 0.00 C ATOM 997 CG1 ILE B 33 0.501 -7.269 -15.727 1.00 0.00 C ATOM 998 CG2 ILE B 33 2.624 -5.978 -16.235 1.00 0.00 C ATOM 999 CD1 ILE B 33 0.669 -7.382 -14.211 1.00 0.00 C ATOM 0 H ILE B 33 0.018 -6.510 -18.512 1.00 0.00 H new ATOM 0 HA ILE B 33 2.712 -7.744 -18.303 1.00 0.00 H new ATOM 0 HB ILE B 33 2.451 -8.078 -15.973 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.027 -6.347 -15.970 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.113 -8.093 -16.091 1.00 0.00 H new ATOM 0 HG21 ILE B 33 2.722 -5.772 -15.169 1.00 0.00 H new ATOM 0 HG22 ILE B 33 3.615 -6.065 -16.681 1.00 0.00 H new ATOM 0 HG23 ILE B 33 2.081 -5.163 -16.714 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.311 -7.367 -13.734 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.175 -8.317 -13.970 1.00 0.00 H new ATOM 0 HD13 ILE B 33 1.263 -6.543 -13.847 1.00 0.00 H new ATOM 1010 N LEU B 34 1.712 -9.950 -18.500 1.00 0.00 N ATOM 1011 CA LEU B 34 1.131 -11.253 -18.781 1.00 0.00 C ATOM 1012 C LEU B 34 1.552 -12.240 -17.689 1.00 0.00 C ATOM 1013 O LEU B 34 2.742 -12.478 -17.489 1.00 0.00 O ATOM 1014 CB LEU B 34 1.494 -11.709 -20.195 1.00 0.00 C ATOM 1015 CG LEU B 34 0.360 -12.330 -21.012 1.00 0.00 C ATOM 1016 CD1 LEU B 34 -0.754 -11.314 -21.264 1.00 0.00 C ATOM 1017 CD2 LEU B 34 0.890 -12.934 -22.314 1.00 0.00 C ATOM 0 H LEU B 34 2.729 -9.913 -18.566 1.00 0.00 H new ATOM 0 HA LEU B 34 0.043 -11.197 -18.759 1.00 0.00 H new ATOM 0 HB2 LEU B 34 1.882 -10.851 -20.743 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.304 -12.435 -20.124 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.073 -13.145 -20.431 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.548 -11.781 -21.847 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.157 -10.972 -20.311 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.353 -10.463 -21.814 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.064 -13.369 -22.876 1.00 0.00 H new ATOM 0 HD22 LEU B 34 1.364 -12.154 -22.910 1.00 0.00 H new ATOM 0 HD23 LEU B 34 1.621 -13.710 -22.084 1.00 0.00 H new ATOM 1028 N ALA B 35 0.553 -12.787 -17.013 1.00 0.00 N ATOM 1029 CA ALA B 35 0.805 -13.741 -15.948 1.00 0.00 C ATOM 1030 C ALA B 35 0.129 -15.071 -16.291 1.00 0.00 C ATOM 1031 O ALA B 35 -0.961 -15.091 -16.859 1.00 0.00 O ATOM 1032 CB ALA B 35 0.313 -13.164 -14.618 1.00 0.00 C ATOM 0 H ALA B 35 -0.433 -12.587 -17.183 1.00 0.00 H new ATOM 0 HA ALA B 35 1.874 -13.930 -15.847 1.00 0.00 H new ATOM 0 HB1 ALA B 35 0.502 -13.880 -13.818 1.00 0.00 H new ATOM 0 HB2 ALA B 35 0.843 -12.235 -14.406 1.00 0.00 H new ATOM 0 HB3 ALA B 35 -0.757 -12.965 -14.681 1.00 0.00 H new