USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 617 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 140 CYS SG : rot 170:sc= -0.518 USER MOD Set 1.2: B 143 CYS SG : rot 180:sc= 0.0225 USER MOD Set 1.3: B 155 HIS : no HD1:sc= -3.03 K(o=-5.4,f=-3.9) USER MOD Set 1.4: B 161 HIS : no HD1:sc= -1.93 K(o=-5.4,f=-6.6) USER MOD Set 2.1: B 129 CYS SG : rot 11:sc= -0.113 USER MOD Set 2.2: B 151 CYS SG : rot -179:sc= -1.27 USER MOD Set 3.1: B 135 SER OG : rot -61:sc= 1.16 USER MOD Set 3.2: B 148 CYS SG : rot -60:sc= -4.08! USER MOD Set 4.1: A 140 CYS SG : rot 180:sc= -1.22 USER MOD Set 4.2: A 143 CYS SG : rot 63:sc= 1.09 USER MOD Set 4.3: A 155 HIS : no HE2:sc= -2.4 K(o=-5.4,f=-12!) USER MOD Set 4.4: A 161 HIS : no HE2:sc= -2.82! C(o=-5.4!,f=-17!) USER MOD Set 5.1: A 129 CYS SG : rot -157:sc= 0.368 USER MOD Set 5.2: A 132 CYS SG : rot 154:sc= 0.532 USER MOD Set 5.3: A 148 CYS SG : rot -48:sc= 1.41 USER MOD Set 5.4: A 151 CYS SG : rot 66:sc= 1.89 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 82:sc= 0.21 USER MOD Single : A 145 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.2) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.0952 X(o=-0.095,f=-0.45) USER MOD Single : A 160 LYS NZ :NH3+ 176:sc= -0.307 (180deg=-0.348) USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 CYS SG : rot 180:sc= 0 USER MOD Single : B 133 LYS NZ :NH3+ -173:sc= 1.17 (180deg=1.01) USER MOD Single : B 145 GLN : amide:sc=-0.00793 X(o=-0.0079,f=-0.067) USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 156 GLN : amide:sc= -0.788 K(o=-0.79,f=-0.056) USER MOD Single : B 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N ALA A 127 74.564 0.204 -10.420 1.00 0.00 N ATOM 137 CA ALA A 127 74.951 -0.530 -9.181 1.00 0.00 C ATOM 138 C ALA A 127 75.643 0.418 -8.196 1.00 0.00 C ATOM 139 O ALA A 127 76.776 0.209 -7.812 1.00 0.00 O ATOM 140 CB ALA A 127 75.921 -1.615 -9.651 1.00 0.00 C ATOM 0 HA ALA A 127 74.088 -0.949 -8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 127 76.253 -2.202 -8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 127 75.419 -2.268 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 127 76.783 -1.150 -10.129 1.00 0.00 H new ATOM 146 N VAL A 128 74.970 1.458 -7.785 1.00 0.00 N ATOM 147 CA VAL A 128 75.593 2.413 -6.826 1.00 0.00 C ATOM 148 C VAL A 128 74.530 3.013 -5.903 1.00 0.00 C ATOM 149 O VAL A 128 73.351 2.980 -6.191 1.00 0.00 O ATOM 150 CB VAL A 128 76.230 3.498 -7.693 1.00 0.00 C ATOM 151 CG1 VAL A 128 77.516 2.956 -8.315 1.00 0.00 C ATOM 152 CG2 VAL A 128 75.258 3.913 -8.799 1.00 0.00 C ATOM 0 H VAL A 128 74.018 1.687 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 128 76.327 1.926 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 128 76.461 4.367 -7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 128 77.974 3.727 -8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 128 78.209 2.667 -7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 128 77.284 2.087 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 128 75.716 4.687 -9.415 1.00 0.00 H new ATOM 0 HG22 VAL A 128 75.022 3.048 -9.419 1.00 0.00 H new ATOM 0 HG23 VAL A 128 74.342 4.300 -8.352 1.00 0.00 H new ATOM 162 N CYS A 129 74.945 3.551 -4.788 1.00 0.00 N ATOM 163 CA CYS A 129 73.968 4.150 -3.830 1.00 0.00 C ATOM 164 C CYS A 129 72.983 5.063 -4.562 1.00 0.00 C ATOM 165 O CYS A 129 73.301 5.651 -5.576 1.00 0.00 O ATOM 166 CB CYS A 129 74.818 4.960 -2.851 1.00 0.00 C ATOM 167 SG CYS A 129 73.800 5.473 -1.444 1.00 0.00 S ATOM 0 H CYS A 129 75.921 3.602 -4.497 1.00 0.00 H new ATOM 0 HA CYS A 129 73.373 3.388 -3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 129 75.661 4.362 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS A 129 75.233 5.835 -3.351 1.00 0.00 H new ATOM 0 HG CYS A 129 74.333 6.516 -0.880 1.00 0.00 H new ATOM 172 N THR A 130 71.791 5.186 -4.049 1.00 0.00 N ATOM 173 CA THR A 130 70.786 6.062 -4.709 1.00 0.00 C ATOM 174 C THR A 130 71.051 7.525 -4.345 1.00 0.00 C ATOM 175 O THR A 130 70.731 8.429 -5.090 1.00 0.00 O ATOM 176 CB THR A 130 69.436 5.606 -4.155 1.00 0.00 C ATOM 177 OG1 THR A 130 68.393 6.122 -4.969 1.00 0.00 O ATOM 178 CG2 THR A 130 69.272 6.120 -2.723 1.00 0.00 C ATOM 0 H THR A 130 71.470 4.718 -3.202 1.00 0.00 H new ATOM 0 HA THR A 130 70.822 5.991 -5.796 1.00 0.00 H new ATOM 0 HB THR A 130 69.391 4.517 -4.155 1.00 0.00 H new ATOM 0 HG1 THR A 130 67.527 5.829 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 130 68.310 5.795 -2.328 1.00 0.00 H new ATOM 0 HG22 THR A 130 70.073 5.723 -2.100 1.00 0.00 H new ATOM 0 HG23 THR A 130 69.316 7.209 -2.720 1.00 0.00 H new ATOM 186 N ARG A 131 71.637 7.759 -3.203 1.00 0.00 N ATOM 187 CA ARG A 131 71.929 9.160 -2.786 1.00 0.00 C ATOM 188 C ARG A 131 73.347 9.547 -3.215 1.00 0.00 C ATOM 189 O ARG A 131 73.556 10.551 -3.866 1.00 0.00 O ATOM 190 CB ARG A 131 71.813 9.148 -1.261 1.00 0.00 C ATOM 191 CG ARG A 131 71.879 10.582 -0.734 1.00 0.00 C ATOM 192 CD ARG A 131 72.673 10.607 0.573 1.00 0.00 C ATOM 193 NE ARG A 131 72.801 12.051 0.914 1.00 0.00 N ATOM 194 CZ ARG A 131 71.733 12.765 1.143 1.00 0.00 C ATOM 195 NH1 ARG A 131 71.127 12.681 2.296 1.00 0.00 N ATOM 196 NH2 ARG A 131 71.269 13.562 0.219 1.00 0.00 N1+ ATOM 0 H ARG A 131 71.927 7.040 -2.540 1.00 0.00 H new ATOM 0 HA ARG A 131 71.250 9.882 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 131 70.875 8.682 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 131 72.618 8.553 -0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 131 72.351 11.231 -1.472 1.00 0.00 H new ATOM 0 HG3 ARG A 131 70.873 10.967 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 131 72.156 10.059 1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 131 73.651 10.141 0.451 1.00 0.00 H new ATOM 0 HE ARG A 131 73.724 12.482 0.969 1.00 0.00 H new ATOM 0 HH11 ARG A 131 71.488 12.057 3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 131 70.292 13.239 2.475 1.00 0.00 H new ATOM 0 HH21 ARG A 131 71.741 13.627 -0.683 1.00 0.00 H new ATOM 0 HH22 ARG A 131 70.434 14.120 0.399 1.00 0.00 H new ATOM 210 N CYS A 132 74.320 8.754 -2.860 1.00 0.00 N ATOM 211 CA CYS A 132 75.722 9.074 -3.254 1.00 0.00 C ATOM 212 C CYS A 132 75.929 8.756 -4.736 1.00 0.00 C ATOM 213 O CYS A 132 76.782 9.319 -5.391 1.00 0.00 O ATOM 214 CB CYS A 132 76.599 8.171 -2.382 1.00 0.00 C ATOM 215 SG CYS A 132 76.085 8.314 -0.652 1.00 0.00 S ATOM 0 H CYS A 132 74.206 7.899 -2.315 1.00 0.00 H new ATOM 0 HA CYS A 132 75.964 10.128 -3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 132 76.515 7.136 -2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 132 77.646 8.454 -2.485 1.00 0.00 H new ATOM 0 HG CYS A 132 76.392 7.222 -0.017 1.00 0.00 H new ATOM 220 N LYS A 133 75.148 7.851 -5.266 1.00 0.00 N ATOM 221 CA LYS A 133 75.280 7.482 -6.706 1.00 0.00 C ATOM 222 C LYS A 133 76.609 6.755 -6.962 1.00 0.00 C ATOM 223 O LYS A 133 76.982 6.504 -8.090 1.00 0.00 O ATOM 224 CB LYS A 133 75.177 8.820 -7.469 1.00 0.00 C ATOM 225 CG LYS A 133 76.530 9.261 -8.052 1.00 0.00 C ATOM 226 CD LYS A 133 76.667 8.733 -9.482 1.00 0.00 C ATOM 227 CE LYS A 133 78.126 8.360 -9.751 1.00 0.00 C ATOM 228 NZ LYS A 133 78.460 9.034 -11.037 1.00 0.00 N1+ ATOM 0 H LYS A 133 74.419 7.349 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 133 74.509 6.786 -7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 133 74.450 8.722 -8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 133 74.804 9.592 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 133 76.603 10.349 -8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 133 77.345 8.883 -7.434 1.00 0.00 H new ATOM 0 HD2 LYS A 133 76.026 7.862 -9.622 1.00 0.00 H new ATOM 0 HD3 LYS A 133 76.337 9.490 -10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 133 78.776 8.701 -8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 133 78.251 7.280 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 79.447 8.827 -11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 77.829 8.685 -11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 78.338 10.062 -10.932 1.00 0.00 H new ATOM 242 N GLU A 134 77.320 6.399 -5.924 1.00 0.00 N ATOM 243 CA GLU A 134 78.611 5.678 -6.118 1.00 0.00 C ATOM 244 C GLU A 134 79.185 5.252 -4.766 1.00 0.00 C ATOM 245 O GLU A 134 78.619 5.526 -3.726 1.00 0.00 O ATOM 246 CB GLU A 134 79.537 6.688 -6.797 1.00 0.00 C ATOM 247 CG GLU A 134 79.942 7.766 -5.791 1.00 0.00 C ATOM 248 CD GLU A 134 80.836 8.798 -6.480 1.00 0.00 C ATOM 249 OE1 GLU A 134 80.563 9.117 -7.626 1.00 0.00 O1- ATOM 250 OE2 GLU A 134 81.777 9.252 -5.852 1.00 0.00 O ATOM 0 H GLU A 134 77.063 6.576 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 134 78.491 4.773 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 134 80.423 6.183 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 134 79.033 7.143 -7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 134 79.054 8.251 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 134 80.470 7.315 -4.951 1.00 0.00 H new ATOM 257 N SER A 135 80.305 4.585 -4.773 1.00 0.00 N ATOM 258 CA SER A 135 80.920 4.141 -3.487 1.00 0.00 C ATOM 259 C SER A 135 79.977 3.192 -2.740 1.00 0.00 C ATOM 260 O SER A 135 79.914 3.196 -1.526 1.00 0.00 O ATOM 261 CB SER A 135 81.134 5.427 -2.687 1.00 0.00 C ATOM 262 OG SER A 135 80.059 5.605 -1.778 1.00 0.00 O ATOM 0 H SER A 135 80.823 4.327 -5.613 1.00 0.00 H new ATOM 0 HA SER A 135 81.851 3.597 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 135 82.078 5.377 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 135 81.199 6.281 -3.362 1.00 0.00 H new ATOM 0 HG SER A 135 80.217 5.066 -0.975 1.00 0.00 H new ATOM 268 N ALA A 136 79.244 2.377 -3.450 1.00 0.00 N ATOM 269 CA ALA A 136 78.312 1.431 -2.769 1.00 0.00 C ATOM 270 C ALA A 136 78.394 0.043 -3.411 1.00 0.00 C ATOM 271 O ALA A 136 78.522 -0.092 -4.612 1.00 0.00 O ATOM 272 CB ALA A 136 76.922 2.031 -2.971 1.00 0.00 C ATOM 0 H ALA A 136 79.250 2.325 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 136 78.555 1.305 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 136 76.177 1.391 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 136 76.886 3.024 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 136 76.710 2.107 -4.037 1.00 0.00 H new ATOM 278 N ASP A 137 78.318 -0.990 -2.617 1.00 0.00 N ATOM 279 CA ASP A 137 78.387 -2.370 -3.176 1.00 0.00 C ATOM 280 C ASP A 137 77.313 -3.252 -2.532 1.00 0.00 C ATOM 281 O ASP A 137 77.425 -4.461 -2.501 1.00 0.00 O ATOM 282 CB ASP A 137 79.783 -2.876 -2.816 1.00 0.00 C ATOM 283 CG ASP A 137 80.085 -4.148 -3.613 1.00 0.00 C ATOM 284 OD1 ASP A 137 80.613 -4.025 -4.706 1.00 0.00 O1- ATOM 285 OD2 ASP A 137 79.783 -5.220 -3.116 1.00 0.00 O ATOM 0 H ASP A 137 78.211 -0.938 -1.604 1.00 0.00 H new ATOM 0 HA ASP A 137 78.214 -2.390 -4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 137 80.527 -2.111 -3.036 1.00 0.00 H new ATOM 0 HB3 ASP A 137 79.843 -3.081 -1.747 1.00 0.00 H new ATOM 290 N PHE A 138 76.273 -2.654 -2.017 1.00 0.00 N ATOM 291 CA PHE A 138 75.193 -3.456 -1.374 1.00 0.00 C ATOM 292 C PHE A 138 73.825 -2.840 -1.681 1.00 0.00 C ATOM 293 O PHE A 138 73.689 -1.641 -1.822 1.00 0.00 O ATOM 294 CB PHE A 138 75.488 -3.387 0.124 1.00 0.00 C ATOM 295 CG PHE A 138 76.338 -4.568 0.527 1.00 0.00 C ATOM 296 CD1 PHE A 138 75.759 -5.837 0.650 1.00 0.00 C ATOM 297 CD2 PHE A 138 77.704 -4.395 0.776 1.00 0.00 C ATOM 298 CE1 PHE A 138 76.547 -6.932 1.023 1.00 0.00 C ATOM 299 CE2 PHE A 138 78.493 -5.490 1.149 1.00 0.00 C ATOM 300 CZ PHE A 138 77.914 -6.759 1.273 1.00 0.00 C ATOM 0 H PHE A 138 76.125 -1.645 -2.014 1.00 0.00 H new ATOM 0 HA PHE A 138 75.168 -4.483 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 138 76.004 -2.457 0.361 1.00 0.00 H new ATOM 0 HB3 PHE A 138 74.556 -3.387 0.689 1.00 0.00 H new ATOM 0 HD1 PHE A 138 74.705 -5.971 0.457 1.00 0.00 H new ATOM 0 HD2 PHE A 138 78.150 -3.416 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 138 76.101 -7.911 1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 138 79.547 -5.356 1.341 1.00 0.00 H new ATOM 0 HZ PHE A 138 78.522 -7.604 1.561 1.00 0.00 H new ATOM 310 N TRP A 139 72.808 -3.652 -1.785 1.00 0.00 N ATOM 311 CA TRP A 139 71.450 -3.113 -2.083 1.00 0.00 C ATOM 312 C TRP A 139 70.431 -3.675 -1.088 1.00 0.00 C ATOM 313 O TRP A 139 70.524 -4.810 -0.663 1.00 0.00 O ATOM 314 CB TRP A 139 71.143 -3.582 -3.507 1.00 0.00 C ATOM 315 CG TRP A 139 69.781 -4.200 -3.561 1.00 0.00 C ATOM 316 CD1 TRP A 139 68.617 -3.542 -3.352 1.00 0.00 C ATOM 317 CD2 TRP A 139 69.422 -5.583 -3.847 1.00 0.00 C ATOM 318 NE1 TRP A 139 67.568 -4.434 -3.488 1.00 0.00 N ATOM 319 CE2 TRP A 139 68.014 -5.705 -3.793 1.00 0.00 C ATOM 320 CE3 TRP A 139 70.175 -6.734 -4.144 1.00 0.00 C ATOM 321 CZ2 TRP A 139 67.374 -6.922 -4.026 1.00 0.00 C ATOM 322 CZ3 TRP A 139 69.535 -7.962 -4.378 1.00 0.00 C ATOM 323 CH2 TRP A 139 68.138 -8.055 -4.319 1.00 0.00 C ATOM 0 H TRP A 139 72.859 -4.665 -1.677 1.00 0.00 H new ATOM 0 HA TRP A 139 71.403 -2.027 -1.998 1.00 0.00 H new ATOM 0 HB2 TRP A 139 71.196 -2.739 -4.196 1.00 0.00 H new ATOM 0 HB3 TRP A 139 71.892 -4.305 -3.830 1.00 0.00 H new ATOM 0 HD1 TRP A 139 68.522 -2.492 -3.117 1.00 0.00 H new ATOM 0 HE1 TRP A 139 66.586 -4.184 -3.377 1.00 0.00 H new ATOM 0 HE3 TRP A 139 71.252 -6.673 -4.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 66.297 -6.988 -3.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 70.123 -8.839 -4.605 1.00 0.00 H new ATOM 0 HH2 TRP A 139 67.652 -9.002 -4.500 1.00 0.00 H new ATOM 334 N CYS A 140 69.458 -2.889 -0.713 1.00 0.00 N ATOM 335 CA CYS A 140 68.434 -3.376 0.255 1.00 0.00 C ATOM 336 C CYS A 140 67.264 -4.026 -0.490 1.00 0.00 C ATOM 337 O CYS A 140 66.657 -3.429 -1.357 1.00 0.00 O ATOM 338 CB CYS A 140 67.966 -2.126 0.998 1.00 0.00 C ATOM 339 SG CYS A 140 68.815 -2.019 2.593 1.00 0.00 S ATOM 0 H CYS A 140 69.328 -1.930 -1.036 1.00 0.00 H new ATOM 0 HA CYS A 140 68.835 -4.129 0.934 1.00 0.00 H new ATOM 0 HB2 CYS A 140 68.174 -1.237 0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 140 66.887 -2.163 1.150 1.00 0.00 H new ATOM 0 HG CYS A 140 68.419 -0.954 3.225 1.00 0.00 H new ATOM 344 N PHE A 141 66.941 -5.246 -0.156 1.00 0.00 N ATOM 345 CA PHE A 141 65.809 -5.934 -0.842 1.00 0.00 C ATOM 346 C PHE A 141 64.477 -5.300 -0.432 1.00 0.00 C ATOM 347 O PHE A 141 63.558 -5.198 -1.220 1.00 0.00 O ATOM 348 CB PHE A 141 65.882 -7.384 -0.364 1.00 0.00 C ATOM 349 CG PHE A 141 65.566 -8.311 -1.513 1.00 0.00 C ATOM 350 CD1 PHE A 141 64.445 -8.071 -2.317 1.00 0.00 C ATOM 351 CD2 PHE A 141 66.391 -9.410 -1.775 1.00 0.00 C ATOM 352 CE1 PHE A 141 64.150 -8.930 -3.382 1.00 0.00 C ATOM 353 CE2 PHE A 141 66.098 -10.269 -2.840 1.00 0.00 C ATOM 354 CZ PHE A 141 64.977 -10.029 -3.644 1.00 0.00 C ATOM 0 H PHE A 141 67.412 -5.796 0.562 1.00 0.00 H new ATOM 0 HA PHE A 141 65.875 -5.857 -1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 141 66.876 -7.599 0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 141 65.177 -7.545 0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 141 63.808 -7.223 -2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 141 67.255 -9.596 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 141 63.285 -8.745 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 141 66.736 -11.117 -3.042 1.00 0.00 H new ATOM 0 HZ PHE A 141 64.750 -10.692 -4.466 1.00 0.00 H new ATOM 364 N GLU A 142 64.365 -4.877 0.798 1.00 0.00 N ATOM 365 CA GLU A 142 63.092 -4.253 1.260 1.00 0.00 C ATOM 366 C GLU A 142 62.982 -2.818 0.738 1.00 0.00 C ATOM 367 O GLU A 142 62.001 -2.443 0.126 1.00 0.00 O ATOM 368 CB GLU A 142 63.179 -4.265 2.786 1.00 0.00 C ATOM 369 CG GLU A 142 62.489 -5.518 3.327 1.00 0.00 C ATOM 370 CD GLU A 142 60.975 -5.295 3.357 1.00 0.00 C ATOM 371 OE1 GLU A 142 60.566 -4.187 3.661 1.00 0.00 O1- ATOM 372 OE2 GLU A 142 60.252 -6.236 3.076 1.00 0.00 O ATOM 0 H GLU A 142 65.100 -4.937 1.503 1.00 0.00 H new ATOM 0 HA GLU A 142 62.214 -4.788 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 142 64.222 -4.247 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 142 62.707 -3.372 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 142 62.728 -6.377 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 142 62.854 -5.743 4.329 1.00 0.00 H new ATOM 379 N CYS A 143 63.978 -2.010 0.979 1.00 0.00 N ATOM 380 CA CYS A 143 63.928 -0.598 0.499 1.00 0.00 C ATOM 381 C CYS A 143 63.969 -0.552 -1.032 1.00 0.00 C ATOM 382 O CYS A 143 63.595 0.431 -1.640 1.00 0.00 O ATOM 383 CB CYS A 143 65.172 0.065 1.090 1.00 0.00 C ATOM 384 SG CYS A 143 65.157 -0.120 2.890 1.00 0.00 S ATOM 0 H CYS A 143 64.825 -2.266 1.487 1.00 0.00 H new ATOM 0 HA CYS A 143 63.012 -0.092 0.804 1.00 0.00 H new ATOM 0 HB2 CYS A 143 66.071 -0.389 0.675 1.00 0.00 H new ATOM 0 HB3 CYS A 143 65.196 1.121 0.823 1.00 0.00 H new ATOM 0 HG CYS A 143 65.212 -1.382 3.197 1.00 0.00 H new ATOM 389 N GLU A 144 64.420 -1.604 -1.658 1.00 0.00 N ATOM 390 CA GLU A 144 64.484 -1.617 -3.147 1.00 0.00 C ATOM 391 C GLU A 144 65.409 -0.505 -3.647 1.00 0.00 C ATOM 392 O GLU A 144 65.232 0.024 -4.726 1.00 0.00 O ATOM 393 CB GLU A 144 63.048 -1.371 -3.609 1.00 0.00 C ATOM 394 CG GLU A 144 62.084 -2.161 -2.721 1.00 0.00 C ATOM 395 CD GLU A 144 60.880 -2.610 -3.551 1.00 0.00 C ATOM 396 OE1 GLU A 144 59.979 -1.808 -3.733 1.00 0.00 O ATOM 397 OE2 GLU A 144 60.880 -3.749 -3.988 1.00 0.00 O1- ATOM 0 H GLU A 144 64.747 -2.456 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 144 64.880 -2.556 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 144 62.816 -0.307 -3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 144 62.932 -1.674 -4.650 1.00 0.00 H new ATOM 0 HG2 GLU A 144 62.591 -3.028 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 144 61.754 -1.544 -1.885 1.00 0.00 H new ATOM 404 N GLN A 145 66.395 -0.148 -2.871 1.00 0.00 N ATOM 405 CA GLN A 145 67.333 0.929 -3.304 1.00 0.00 C ATOM 406 C GLN A 145 68.772 0.551 -2.944 1.00 0.00 C ATOM 407 O GLN A 145 69.010 -0.338 -2.150 1.00 0.00 O ATOM 408 CB GLN A 145 66.894 2.172 -2.530 1.00 0.00 C ATOM 409 CG GLN A 145 66.635 1.798 -1.069 1.00 0.00 C ATOM 410 CD GLN A 145 66.298 3.061 -0.272 1.00 0.00 C ATOM 411 OE1 GLN A 145 65.165 3.502 -0.261 1.00 0.00 O ATOM 412 NE2 GLN A 145 67.241 3.666 0.397 1.00 0.00 N ATOM 0 H GLN A 145 66.593 -0.554 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 145 67.308 1.091 -4.382 1.00 0.00 H new ATOM 0 HB2 GLN A 145 67.664 2.941 -2.589 1.00 0.00 H new ATOM 0 HB3 GLN A 145 65.991 2.591 -2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 145 65.813 1.085 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 145 67.514 1.311 -0.646 1.00 0.00 H new ATOM 0 HE21 GLN A 145 68.191 3.295 0.387 1.00 0.00 H new ATOM 0 HE22 GLN A 145 67.028 4.509 0.930 1.00 0.00 H new ATOM 421 N LEU A 146 69.734 1.218 -3.521 1.00 0.00 N ATOM 422 CA LEU A 146 71.155 0.893 -3.210 1.00 0.00 C ATOM 423 C LEU A 146 71.627 1.691 -1.992 1.00 0.00 C ATOM 424 O LEU A 146 71.035 2.685 -1.622 1.00 0.00 O ATOM 425 CB LEU A 146 71.939 1.301 -4.458 1.00 0.00 C ATOM 426 CG LEU A 146 71.571 0.372 -5.616 1.00 0.00 C ATOM 427 CD1 LEU A 146 70.464 1.015 -6.455 1.00 0.00 C ATOM 428 CD2 LEU A 146 72.802 0.136 -6.494 1.00 0.00 C ATOM 0 H LEU A 146 69.598 1.973 -4.193 1.00 0.00 H new ATOM 0 HA LEU A 146 71.294 -0.161 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 146 71.713 2.335 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 146 73.010 1.248 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 146 71.220 -0.580 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 146 70.202 0.353 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 146 69.586 1.183 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 146 70.815 1.968 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 146 72.539 -0.526 -7.319 1.00 0.00 H new ATOM 0 HD22 LEU A 146 73.154 1.088 -6.891 1.00 0.00 H new ATOM 0 HD23 LEU A 146 73.591 -0.323 -5.898 1.00 0.00 H new ATOM 440 N LEU A 147 72.688 1.261 -1.365 1.00 0.00 N ATOM 441 CA LEU A 147 73.195 1.995 -0.170 1.00 0.00 C ATOM 442 C LEU A 147 74.717 1.864 -0.077 1.00 0.00 C ATOM 443 O LEU A 147 75.267 0.788 -0.215 1.00 0.00 O ATOM 444 CB LEU A 147 72.527 1.315 1.025 1.00 0.00 C ATOM 445 CG LEU A 147 71.091 1.825 1.170 1.00 0.00 C ATOM 446 CD1 LEU A 147 70.397 1.075 2.309 1.00 0.00 C ATOM 447 CD2 LEU A 147 71.110 3.322 1.482 1.00 0.00 C ATOM 0 H LEU A 147 73.225 0.435 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 147 72.968 3.060 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 147 72.527 0.234 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 147 73.090 1.521 1.935 1.00 0.00 H new ATOM 0 HG LEU A 147 70.549 1.655 0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 147 69.374 1.437 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 147 70.383 0.008 2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 147 70.939 1.245 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 147 70.087 3.685 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 147 71.651 3.493 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 147 71.605 3.856 0.671 1.00 0.00 H new ATOM 459 N CYS A 148 75.404 2.947 0.158 1.00 0.00 N ATOM 460 CA CYS A 148 76.890 2.877 0.263 1.00 0.00 C ATOM 461 C CYS A 148 77.292 2.284 1.616 1.00 0.00 C ATOM 462 O CYS A 148 76.510 2.254 2.547 1.00 0.00 O ATOM 463 CB CYS A 148 77.368 4.325 0.141 1.00 0.00 C ATOM 464 SG CYS A 148 76.826 5.269 1.586 1.00 0.00 S ATOM 0 H CYS A 148 75.003 3.876 0.282 1.00 0.00 H new ATOM 0 HA CYS A 148 77.331 2.242 -0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 148 78.455 4.354 0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 148 76.970 4.774 -0.769 1.00 0.00 H new ATOM 0 HG CYS A 148 75.565 5.040 1.806 1.00 0.00 H new ATOM 469 N ALA A 149 78.501 1.806 1.731 1.00 0.00 N ATOM 470 CA ALA A 149 78.950 1.210 3.024 1.00 0.00 C ATOM 471 C ALA A 149 78.612 2.146 4.187 1.00 0.00 C ATOM 472 O ALA A 149 78.402 1.714 5.303 1.00 0.00 O ATOM 473 CB ALA A 149 80.464 1.053 2.882 1.00 0.00 C ATOM 0 H ALA A 149 79.198 1.802 0.986 1.00 0.00 H new ATOM 0 HA ALA A 149 78.459 0.259 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 149 80.872 0.619 3.795 1.00 0.00 H new ATOM 0 HB2 ALA A 149 80.684 0.398 2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 149 80.917 2.030 2.711 1.00 0.00 H new ATOM 479 N LYS A 150 78.556 3.424 3.935 1.00 0.00 N ATOM 480 CA LYS A 150 78.229 4.388 5.026 1.00 0.00 C ATOM 481 C LYS A 150 76.753 4.263 5.417 1.00 0.00 C ATOM 482 O LYS A 150 76.378 4.499 6.547 1.00 0.00 O ATOM 483 CB LYS A 150 78.512 5.769 4.435 1.00 0.00 C ATOM 484 CG LYS A 150 79.656 6.427 5.208 1.00 0.00 C ATOM 485 CD LYS A 150 79.105 7.085 6.474 1.00 0.00 C ATOM 486 CE LYS A 150 79.051 6.054 7.603 1.00 0.00 C ATOM 487 NZ LYS A 150 79.022 6.861 8.855 1.00 0.00 N1+ ATOM 0 H LYS A 150 78.722 3.844 3.021 1.00 0.00 H new ATOM 0 HA LYS A 150 78.813 4.204 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 150 78.775 5.679 3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 150 77.618 6.390 4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 150 80.407 5.682 5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 150 80.150 7.172 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 150 79.736 7.925 6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 150 78.109 7.485 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 150 78.167 5.422 7.519 1.00 0.00 H new ATOM 0 HE3 LYS A 150 79.918 5.394 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 78.984 6.225 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 79.879 7.448 8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 78.182 7.474 8.853 1.00 0.00 H new ATOM 501 N CYS A 151 75.915 3.894 4.488 1.00 0.00 N ATOM 502 CA CYS A 151 74.465 3.754 4.803 1.00 0.00 C ATOM 503 C CYS A 151 74.140 2.303 5.168 1.00 0.00 C ATOM 504 O CYS A 151 73.334 2.036 6.036 1.00 0.00 O ATOM 505 CB CYS A 151 73.742 4.158 3.517 1.00 0.00 C ATOM 506 SG CYS A 151 74.036 5.912 3.182 1.00 0.00 S ATOM 0 H CYS A 151 76.172 3.683 3.524 1.00 0.00 H new ATOM 0 HA CYS A 151 74.165 4.369 5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 151 74.097 3.553 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 151 72.673 3.970 3.614 1.00 0.00 H new ATOM 0 HG CYS A 151 75.294 6.097 2.910 1.00 0.00 H new ATOM 511 N PHE A 152 74.765 1.366 4.510 1.00 0.00 N ATOM 512 CA PHE A 152 74.497 -0.070 4.817 1.00 0.00 C ATOM 513 C PHE A 152 74.892 -0.383 6.263 1.00 0.00 C ATOM 514 O PHE A 152 74.137 -0.976 7.007 1.00 0.00 O ATOM 515 CB PHE A 152 75.374 -0.852 3.839 1.00 0.00 C ATOM 516 CG PHE A 152 75.297 -2.326 4.158 1.00 0.00 C ATOM 517 CD1 PHE A 152 74.053 -2.932 4.372 1.00 0.00 C ATOM 518 CD2 PHE A 152 76.470 -3.086 4.237 1.00 0.00 C ATOM 519 CE1 PHE A 152 73.984 -4.299 4.667 1.00 0.00 C ATOM 520 CE2 PHE A 152 76.399 -4.453 4.531 1.00 0.00 C ATOM 521 CZ PHE A 152 75.156 -5.059 4.746 1.00 0.00 C ATOM 0 H PHE A 152 75.450 1.531 3.773 1.00 0.00 H new ATOM 0 HA PHE A 152 73.443 -0.327 4.714 1.00 0.00 H new ATOM 0 HB2 PHE A 152 75.044 -0.673 2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 152 76.406 -0.508 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 152 73.148 -2.346 4.310 1.00 0.00 H new ATOM 0 HD2 PHE A 152 77.429 -2.618 4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 152 73.025 -4.767 4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 152 77.304 -5.040 4.592 1.00 0.00 H new ATOM 0 HZ PHE A 152 75.101 -6.113 4.973 1.00 0.00 H new ATOM 531 N GLU A 153 76.068 0.011 6.665 1.00 0.00 N ATOM 532 CA GLU A 153 76.512 -0.265 8.062 1.00 0.00 C ATOM 533 C GLU A 153 75.541 0.367 9.062 1.00 0.00 C ATOM 534 O GLU A 153 75.089 -0.271 9.992 1.00 0.00 O ATOM 535 CB GLU A 153 77.894 0.378 8.173 1.00 0.00 C ATOM 536 CG GLU A 153 78.036 1.054 9.539 1.00 0.00 C ATOM 537 CD GLU A 153 79.509 1.379 9.797 1.00 0.00 C ATOM 538 OE1 GLU A 153 80.278 0.449 9.977 1.00 0.00 O1- ATOM 539 OE2 GLU A 153 79.843 2.552 9.806 1.00 0.00 O ATOM 0 H GLU A 153 76.742 0.513 6.087 1.00 0.00 H new ATOM 0 HA GLU A 153 76.541 -1.332 8.283 1.00 0.00 H new ATOM 0 HB2 GLU A 153 78.669 -0.378 8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 153 78.031 1.110 7.377 1.00 0.00 H new ATOM 0 HG2 GLU A 153 77.441 1.967 9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 153 77.655 0.399 10.322 1.00 0.00 H new ATOM 546 N ALA A 154 75.216 1.619 8.879 1.00 0.00 N ATOM 547 CA ALA A 154 74.274 2.291 9.820 1.00 0.00 C ATOM 548 C ALA A 154 72.909 1.599 9.789 1.00 0.00 C ATOM 549 O ALA A 154 72.168 1.619 10.752 1.00 0.00 O ATOM 550 CB ALA A 154 74.159 3.725 9.307 1.00 0.00 C ATOM 0 H ALA A 154 75.562 2.205 8.119 1.00 0.00 H new ATOM 0 HA ALA A 154 74.625 2.253 10.851 1.00 0.00 H new ATOM 0 HB1 ALA A 154 73.480 4.288 9.948 1.00 0.00 H new ATOM 0 HB2 ALA A 154 75.142 4.195 9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 154 73.772 3.717 8.288 1.00 0.00 H new ATOM 556 N HIS A 155 72.571 0.985 8.688 1.00 0.00 N ATOM 557 CA HIS A 155 71.253 0.292 8.594 1.00 0.00 C ATOM 558 C HIS A 155 71.295 -1.026 9.373 1.00 0.00 C ATOM 559 O HIS A 155 70.460 -1.286 10.217 1.00 0.00 O ATOM 560 CB HIS A 155 71.051 0.026 7.103 1.00 0.00 C ATOM 561 CG HIS A 155 69.585 0.096 6.774 1.00 0.00 C ATOM 562 ND1 HIS A 155 68.760 1.089 7.277 1.00 0.00 N ATOM 563 CD2 HIS A 155 68.782 -0.699 5.995 1.00 0.00 C ATOM 564 CE1 HIS A 155 67.521 0.868 6.799 1.00 0.00 C ATOM 565 NE2 HIS A 155 67.480 -0.209 6.012 1.00 0.00 N ATOM 0 H HIS A 155 73.150 0.933 7.850 1.00 0.00 H new ATOM 0 HA HIS A 155 70.442 0.886 9.015 1.00 0.00 H new ATOM 0 HB2 HIS A 155 71.602 0.759 6.514 1.00 0.00 H new ATOM 0 HB3 HIS A 155 71.447 -0.955 6.841 1.00 0.00 H new ATOM 0 HD1 HIS A 155 69.040 1.849 7.897 1.00 0.00 H new ATOM 0 HD2 HIS A 155 69.111 -1.572 5.451 1.00 0.00 H new ATOM 0 HE1 HIS A 155 66.665 1.487 7.025 1.00 0.00 H new ATOM 573 N GLN A 156 72.259 -1.858 9.092 1.00 0.00 N ATOM 574 CA GLN A 156 72.356 -3.161 9.814 1.00 0.00 C ATOM 575 C GLN A 156 72.681 -2.927 11.292 1.00 0.00 C ATOM 576 O GLN A 156 72.399 -3.754 12.137 1.00 0.00 O ATOM 577 CB GLN A 156 73.498 -3.908 9.125 1.00 0.00 C ATOM 578 CG GLN A 156 72.984 -4.546 7.834 1.00 0.00 C ATOM 579 CD GLN A 156 73.644 -5.913 7.642 1.00 0.00 C ATOM 580 OE1 GLN A 156 74.800 -6.094 7.968 1.00 0.00 O ATOM 581 NE2 GLN A 156 72.953 -6.890 7.121 1.00 0.00 N ATOM 0 H GLN A 156 72.984 -1.694 8.394 1.00 0.00 H new ATOM 0 HA GLN A 156 71.422 -3.722 9.782 1.00 0.00 H new ATOM 0 HB2 GLN A 156 74.315 -3.221 8.904 1.00 0.00 H new ATOM 0 HB3 GLN A 156 73.898 -4.675 9.788 1.00 0.00 H new ATOM 0 HG2 GLN A 156 71.900 -4.656 7.877 1.00 0.00 H new ATOM 0 HG3 GLN A 156 73.205 -3.901 6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 156 71.982 -6.739 6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 156 73.384 -7.805 6.988 1.00 0.00 H new ATOM 590 N TRP A 157 73.273 -1.808 11.611 1.00 0.00 N ATOM 591 CA TRP A 157 73.615 -1.526 13.035 1.00 0.00 C ATOM 592 C TRP A 157 72.434 -0.854 13.741 1.00 0.00 C ATOM 593 O TRP A 157 72.203 -1.060 14.916 1.00 0.00 O ATOM 594 CB TRP A 157 74.815 -0.580 12.976 1.00 0.00 C ATOM 595 CG TRP A 157 75.661 -0.773 14.195 1.00 0.00 C ATOM 596 CD1 TRP A 157 76.164 -1.957 14.614 1.00 0.00 C ATOM 597 CD2 TRP A 157 76.109 0.225 15.158 1.00 0.00 C ATOM 598 NE1 TRP A 157 76.893 -1.749 15.771 1.00 0.00 N ATOM 599 CE2 TRP A 157 76.888 -0.420 16.147 1.00 0.00 C ATOM 600 CE3 TRP A 157 75.916 1.614 15.268 1.00 0.00 C ATOM 601 CZ2 TRP A 157 77.457 0.286 17.208 1.00 0.00 C ATOM 602 CZ3 TRP A 157 76.487 2.329 16.335 1.00 0.00 C ATOM 603 CH2 TRP A 157 77.255 1.666 17.302 1.00 0.00 C ATOM 0 H TRP A 157 73.534 -1.078 10.948 1.00 0.00 H new ATOM 0 HA TRP A 157 73.841 -2.435 13.592 1.00 0.00 H new ATOM 0 HB2 TRP A 157 75.402 -0.775 12.078 1.00 0.00 H new ATOM 0 HB3 TRP A 157 74.474 0.454 12.916 1.00 0.00 H new ATOM 0 HD1 TRP A 157 76.020 -2.909 14.125 1.00 0.00 H new ATOM 0 HE1 TRP A 157 77.375 -2.487 16.284 1.00 0.00 H new ATOM 0 HE3 TRP A 157 75.326 2.134 14.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 78.048 -0.230 17.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 76.333 3.395 16.410 1.00 0.00 H new ATOM 0 HH2 TRP A 157 77.691 2.221 18.120 1.00 0.00 H new ATOM 614 N PHE A 158 71.683 -0.054 13.035 1.00 0.00 N ATOM 615 CA PHE A 158 70.518 0.627 13.669 1.00 0.00 C ATOM 616 C PHE A 158 69.318 -0.324 13.723 1.00 0.00 C ATOM 617 O PHE A 158 68.471 -0.221 14.588 1.00 0.00 O ATOM 618 CB PHE A 158 70.213 1.822 12.767 1.00 0.00 C ATOM 619 CG PHE A 158 69.073 2.619 13.355 1.00 0.00 C ATOM 620 CD1 PHE A 158 69.042 2.885 14.730 1.00 0.00 C ATOM 621 CD2 PHE A 158 68.048 3.093 12.527 1.00 0.00 C ATOM 622 CE1 PHE A 158 67.986 3.624 15.276 1.00 0.00 C ATOM 623 CE2 PHE A 158 66.992 3.831 13.074 1.00 0.00 C ATOM 624 CZ PHE A 158 66.961 4.097 14.449 1.00 0.00 C ATOM 0 H PHE A 158 71.825 0.158 12.047 1.00 0.00 H new ATOM 0 HA PHE A 158 70.728 0.936 14.693 1.00 0.00 H new ATOM 0 HB2 PHE A 158 71.097 2.451 12.668 1.00 0.00 H new ATOM 0 HB3 PHE A 158 69.952 1.478 11.766 1.00 0.00 H new ATOM 0 HD1 PHE A 158 69.833 2.520 15.369 1.00 0.00 H new ATOM 0 HD2 PHE A 158 68.072 2.889 11.467 1.00 0.00 H new ATOM 0 HE1 PHE A 158 67.962 3.829 16.336 1.00 0.00 H new ATOM 0 HE2 PHE A 158 66.201 4.196 12.436 1.00 0.00 H new ATOM 0 HZ PHE A 158 66.146 4.667 14.871 1.00 0.00 H new ATOM 634 N LEU A 159 69.241 -1.249 12.806 1.00 0.00 N ATOM 635 CA LEU A 159 68.096 -2.204 12.804 1.00 0.00 C ATOM 636 C LEU A 159 68.465 -3.478 12.039 1.00 0.00 C ATOM 637 O LEU A 159 69.612 -3.706 11.708 1.00 0.00 O ATOM 638 CB LEU A 159 66.949 -1.464 12.105 1.00 0.00 C ATOM 639 CG LEU A 159 67.427 -0.871 10.773 1.00 0.00 C ATOM 640 CD1 LEU A 159 67.545 -1.980 9.724 1.00 0.00 C ATOM 641 CD2 LEU A 159 66.417 0.172 10.292 1.00 0.00 C ATOM 0 H LEU A 159 69.921 -1.385 12.058 1.00 0.00 H new ATOM 0 HA LEU A 159 67.820 -2.512 13.813 1.00 0.00 H new ATOM 0 HB2 LEU A 159 66.120 -2.149 11.928 1.00 0.00 H new ATOM 0 HB3 LEU A 159 66.574 -0.670 12.750 1.00 0.00 H new ATOM 0 HG LEU A 159 68.401 -0.404 10.916 1.00 0.00 H new ATOM 0 HD11 LEU A 159 67.885 -1.553 8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 159 68.262 -2.727 10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 159 66.572 -2.450 9.580 1.00 0.00 H new ATOM 0 HD21 LEU A 159 66.754 0.595 9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 159 65.445 -0.300 10.153 1.00 0.00 H new ATOM 0 HD23 LEU A 159 66.332 0.965 11.034 1.00 0.00 H new ATOM 653 N LYS A 160 67.499 -4.306 11.752 1.00 0.00 N ATOM 654 CA LYS A 160 67.790 -5.564 11.005 1.00 0.00 C ATOM 655 C LYS A 160 67.207 -5.480 9.592 1.00 0.00 C ATOM 656 O LYS A 160 66.006 -5.449 9.405 1.00 0.00 O ATOM 657 CB LYS A 160 67.097 -6.669 11.805 1.00 0.00 C ATOM 658 CG LYS A 160 67.498 -6.560 13.279 1.00 0.00 C ATOM 659 CD LYS A 160 66.336 -5.969 14.080 1.00 0.00 C ATOM 660 CE LYS A 160 66.736 -5.857 15.552 1.00 0.00 C ATOM 661 NZ LYS A 160 67.629 -4.665 15.615 1.00 0.00 N1+ ATOM 0 H LYS A 160 66.520 -4.167 12.002 1.00 0.00 H new ATOM 0 HA LYS A 160 68.859 -5.747 10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 160 66.015 -6.582 11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 160 67.376 -7.647 11.412 1.00 0.00 H new ATOM 0 HG2 LYS A 160 67.760 -7.543 13.669 1.00 0.00 H new ATOM 0 HG3 LYS A 160 68.382 -5.930 13.381 1.00 0.00 H new ATOM 0 HD2 LYS A 160 66.073 -4.987 13.688 1.00 0.00 H new ATOM 0 HD3 LYS A 160 65.453 -6.600 13.979 1.00 0.00 H new ATOM 0 HE2 LYS A 160 65.862 -5.730 16.191 1.00 0.00 H new ATOM 0 HE3 LYS A 160 67.251 -6.756 15.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 67.892 -4.480 16.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 68.487 -4.844 15.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 67.131 -3.837 15.229 1.00 0.00 H new ATOM 675 N HIS A 161 68.047 -5.442 8.593 1.00 0.00 N ATOM 676 CA HIS A 161 67.538 -5.356 7.195 1.00 0.00 C ATOM 677 C HIS A 161 68.216 -6.410 6.315 1.00 0.00 C ATOM 678 O HIS A 161 69.334 -6.815 6.564 1.00 0.00 O ATOM 679 CB HIS A 161 67.906 -3.949 6.725 1.00 0.00 C ATOM 680 CG HIS A 161 66.741 -3.343 5.993 1.00 0.00 C ATOM 681 ND1 HIS A 161 65.926 -2.379 6.567 1.00 0.00 N ATOM 682 CD2 HIS A 161 66.240 -3.555 4.732 1.00 0.00 C ATOM 683 CE1 HIS A 161 64.988 -2.049 5.660 1.00 0.00 C ATOM 684 NE2 HIS A 161 65.134 -2.736 4.524 1.00 0.00 N ATOM 0 H HIS A 161 69.063 -5.467 8.685 1.00 0.00 H new ATOM 0 HA HIS A 161 66.465 -5.539 7.136 1.00 0.00 H new ATOM 0 HB2 HIS A 161 68.175 -3.328 7.579 1.00 0.00 H new ATOM 0 HB3 HIS A 161 68.778 -3.989 6.072 1.00 0.00 H new ATOM 0 HD1 HIS A 161 66.020 -1.991 7.506 1.00 0.00 H new ATOM 0 HD2 HIS A 161 66.643 -4.251 4.011 1.00 0.00 H new ATOM 0 HE1 HIS A 161 64.212 -1.318 5.830 1.00 0.00 H new ATOM 692 N GLU A 162 67.546 -6.856 5.287 1.00 0.00 N ATOM 693 CA GLU A 162 68.151 -7.881 4.390 1.00 0.00 C ATOM 694 C GLU A 162 68.636 -7.225 3.095 1.00 0.00 C ATOM 695 O GLU A 162 67.853 -6.749 2.298 1.00 0.00 O ATOM 696 CB GLU A 162 67.021 -8.870 4.100 1.00 0.00 C ATOM 697 CG GLU A 162 67.545 -10.299 4.251 1.00 0.00 C ATOM 698 CD GLU A 162 67.200 -10.823 5.646 1.00 0.00 C ATOM 699 OE1 GLU A 162 66.026 -10.847 5.976 1.00 0.00 O ATOM 700 OE2 GLU A 162 68.118 -11.190 6.363 1.00 0.00 O1- ATOM 0 H GLU A 162 66.606 -6.555 5.030 1.00 0.00 H new ATOM 0 HA GLU A 162 69.014 -8.370 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 162 66.190 -8.701 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 162 66.638 -8.716 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 162 67.104 -10.942 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 162 68.624 -10.320 4.099 1.00 0.00 H new ATOM 707 N ALA A 163 69.923 -7.195 2.880 1.00 0.00 N ATOM 708 CA ALA A 163 70.455 -6.567 1.636 1.00 0.00 C ATOM 709 C ALA A 163 71.514 -7.468 0.996 1.00 0.00 C ATOM 710 O ALA A 163 72.210 -8.201 1.671 1.00 0.00 O ATOM 711 CB ALA A 163 71.081 -5.250 2.096 1.00 0.00 C ATOM 0 H ALA A 163 70.628 -7.577 3.510 1.00 0.00 H new ATOM 0 HA ALA A 163 69.678 -6.412 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 163 71.497 -4.725 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 163 70.318 -4.629 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 163 71.875 -5.456 2.814 1.00 0.00 H new ATOM 717 N ARG A 164 71.642 -7.417 -0.301 1.00 0.00 N ATOM 718 CA ARG A 164 72.659 -8.267 -0.985 1.00 0.00 C ATOM 719 C ARG A 164 73.742 -7.386 -1.613 1.00 0.00 C ATOM 720 O ARG A 164 73.513 -6.225 -1.892 1.00 0.00 O ATOM 721 CB ARG A 164 71.884 -9.020 -2.067 1.00 0.00 C ATOM 722 CG ARG A 164 70.767 -9.840 -1.416 1.00 0.00 C ATOM 723 CD ARG A 164 71.190 -11.309 -1.337 1.00 0.00 C ATOM 724 NE ARG A 164 69.914 -12.076 -1.350 1.00 0.00 N ATOM 725 CZ ARG A 164 69.880 -13.294 -0.881 1.00 0.00 C ATOM 726 NH1 ARG A 164 70.836 -14.132 -1.172 1.00 0.00 N1+ ATOM 727 NH2 ARG A 164 68.889 -13.674 -0.120 1.00 0.00 N ATOM 0 H ARG A 164 71.087 -6.824 -0.918 1.00 0.00 H new ATOM 0 HA ARG A 164 73.161 -8.948 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 164 71.462 -8.316 -2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 164 72.556 -9.676 -2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 164 70.555 -9.457 -0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 164 69.848 -9.746 -1.995 1.00 0.00 H new ATOM 0 HD2 ARG A 164 71.825 -11.583 -2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 164 71.761 -11.508 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 164 69.067 -11.650 -1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 164 71.610 -13.836 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 164 70.809 -15.083 -0.805 1.00 0.00 H new ATOM 0 HH21 ARG A 164 68.141 -13.019 0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 164 68.863 -14.626 0.246 1.00 0.00 H new ATOM 741 N PRO A 165 74.891 -7.970 -1.815 1.00 0.00 N ATOM 742 CA PRO A 165 76.027 -7.230 -2.416 1.00 0.00 C ATOM 743 C PRO A 165 75.780 -6.992 -3.908 1.00 0.00 C ATOM 744 O PRO A 165 75.251 -7.838 -4.602 1.00 0.00 O ATOM 745 CB PRO A 165 77.214 -8.163 -2.203 1.00 0.00 C ATOM 746 CG PRO A 165 76.618 -9.530 -2.086 1.00 0.00 C ATOM 747 CD PRO A 165 75.237 -9.362 -1.504 1.00 0.00 C ATOM 0 HA PRO A 165 76.180 -6.246 -1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 165 77.914 -8.108 -3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 165 77.769 -7.896 -1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 165 76.569 -10.014 -3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 165 77.231 -10.164 -1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 165 74.528 -10.059 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 165 75.231 -9.545 -0.429 1.00 0.00 H new ATOM 755 N LEU A 166 76.162 -5.848 -4.406 1.00 0.00 N ATOM 756 CA LEU A 166 75.950 -5.557 -5.853 1.00 0.00 C ATOM 757 C LEU A 166 76.950 -6.345 -6.702 1.00 0.00 C ATOM 758 O LEU A 166 76.739 -6.569 -7.878 1.00 0.00 O ATOM 759 CB LEU A 166 76.191 -4.054 -5.993 1.00 0.00 C ATOM 760 CG LEU A 166 75.147 -3.291 -5.176 1.00 0.00 C ATOM 761 CD1 LEU A 166 75.450 -1.792 -5.231 1.00 0.00 C ATOM 762 CD2 LEU A 166 73.755 -3.551 -5.756 1.00 0.00 C ATOM 0 H LEU A 166 76.611 -5.103 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 166 74.954 -5.842 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 166 77.194 -3.802 -5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 166 76.132 -3.762 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 166 75.179 -3.630 -4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 166 74.706 -1.249 -4.649 1.00 0.00 H new ATOM 0 HD12 LEU A 166 76.441 -1.606 -4.817 1.00 0.00 H new ATOM 0 HD13 LEU A 166 75.419 -1.452 -6.266 1.00 0.00 H new ATOM 0 HD21 LEU A 166 73.011 -3.007 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 166 73.723 -3.213 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 166 73.538 -4.618 -5.716 1.00 0.00 H new ATOM 774 N ALA A 167 78.038 -6.770 -6.118 1.00 0.00 N ATOM 775 CA ALA A 167 79.047 -7.544 -6.894 1.00 0.00 C ATOM 776 C ALA A 167 78.376 -8.723 -7.605 1.00 0.00 C ATOM 777 O ALA A 167 77.403 -9.274 -7.130 1.00 0.00 O ATOM 778 CB ALA A 167 80.048 -8.047 -5.853 1.00 0.00 C ATOM 0 H ALA A 167 78.271 -6.614 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 167 79.528 -6.940 -7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 167 80.826 -8.629 -6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 167 80.500 -7.197 -5.342 1.00 0.00 H new ATOM 0 HB3 ALA A 167 79.533 -8.675 -5.126 1.00 0.00 H new ATOM 936 N ALA B 127 89.804 7.442 -3.298 1.00 0.00 N ATOM 937 CA ALA B 127 88.629 7.248 -2.400 1.00 0.00 C ATOM 938 C ALA B 127 87.853 5.992 -2.807 1.00 0.00 C ATOM 939 O ALA B 127 86.639 5.993 -2.862 1.00 0.00 O ATOM 940 CB ALA B 127 87.771 8.497 -2.596 1.00 0.00 C ATOM 0 HA ALA B 127 88.922 7.115 -1.359 1.00 0.00 H new ATOM 0 HB1 ALA B 127 86.883 8.431 -1.967 1.00 0.00 H new ATOM 0 HB2 ALA B 127 88.346 9.381 -2.320 1.00 0.00 H new ATOM 0 HB3 ALA B 127 87.470 8.572 -3.641 1.00 0.00 H new ATOM 946 N VAL B 128 88.543 4.921 -3.090 1.00 0.00 N ATOM 947 CA VAL B 128 87.840 3.668 -3.490 1.00 0.00 C ATOM 948 C VAL B 128 88.672 2.443 -3.106 1.00 0.00 C ATOM 949 O VAL B 128 89.863 2.532 -2.880 1.00 0.00 O ATOM 950 CB VAL B 128 87.682 3.753 -5.007 1.00 0.00 C ATOM 951 CG1 VAL B 128 86.560 4.735 -5.347 1.00 0.00 C ATOM 952 CG2 VAL B 128 88.991 4.231 -5.638 1.00 0.00 C ATOM 0 H VAL B 128 89.561 4.859 -3.062 1.00 0.00 H new ATOM 0 HA VAL B 128 86.877 3.568 -2.989 1.00 0.00 H new ATOM 0 HB VAL B 128 87.435 2.767 -5.400 1.00 0.00 H new ATOM 0 HG11 VAL B 128 86.446 4.797 -6.429 1.00 0.00 H new ATOM 0 HG12 VAL B 128 85.627 4.389 -4.903 1.00 0.00 H new ATOM 0 HG13 VAL B 128 86.807 5.720 -4.951 1.00 0.00 H new ATOM 0 HG21 VAL B 128 88.873 4.290 -6.720 1.00 0.00 H new ATOM 0 HG22 VAL B 128 89.245 5.216 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL B 128 89.789 3.528 -5.398 1.00 0.00 H new ATOM 962 N CYS B 129 88.049 1.300 -3.026 1.00 0.00 N ATOM 963 CA CYS B 129 88.794 0.061 -2.652 1.00 0.00 C ATOM 964 C CYS B 129 90.064 -0.079 -3.490 1.00 0.00 C ATOM 965 O CYS B 129 90.150 0.421 -4.593 1.00 0.00 O ATOM 966 CB CYS B 129 87.829 -1.084 -2.955 1.00 0.00 C ATOM 967 SG CYS B 129 88.505 -2.634 -2.309 1.00 0.00 S ATOM 0 H CYS B 129 87.053 1.168 -3.204 1.00 0.00 H new ATOM 0 HA CYS B 129 89.107 0.073 -1.608 1.00 0.00 H new ATOM 0 HB2 CYS B 129 86.857 -0.883 -2.504 1.00 0.00 H new ATOM 0 HB3 CYS B 129 87.671 -1.165 -4.030 1.00 0.00 H new ATOM 0 HG CYS B 129 89.526 -2.378 -1.546 1.00 0.00 H new ATOM 972 N THR B 130 91.047 -0.766 -2.977 1.00 0.00 N ATOM 973 CA THR B 130 92.306 -0.946 -3.752 1.00 0.00 C ATOM 974 C THR B 130 92.137 -2.094 -4.752 1.00 0.00 C ATOM 975 O THR B 130 92.813 -2.161 -5.759 1.00 0.00 O ATOM 976 CB THR B 130 93.382 -1.279 -2.714 1.00 0.00 C ATOM 977 OG1 THR B 130 94.610 -1.544 -3.377 1.00 0.00 O ATOM 978 CG2 THR B 130 92.964 -2.508 -1.903 1.00 0.00 C ATOM 0 H THR B 130 91.033 -1.209 -2.058 1.00 0.00 H new ATOM 0 HA THR B 130 92.572 -0.057 -4.325 1.00 0.00 H new ATOM 0 HB THR B 130 93.504 -0.432 -2.039 1.00 0.00 H new ATOM 0 HG1 THR B 130 95.300 -1.756 -2.714 1.00 0.00 H new ATOM 0 HG21 THR B 130 93.735 -2.738 -1.167 1.00 0.00 H new ATOM 0 HG22 THR B 130 92.023 -2.304 -1.391 1.00 0.00 H new ATOM 0 HG23 THR B 130 92.836 -3.359 -2.572 1.00 0.00 H new ATOM 986 N ARG B 131 91.228 -2.993 -4.483 1.00 0.00 N ATOM 987 CA ARG B 131 90.997 -4.132 -5.416 1.00 0.00 C ATOM 988 C ARG B 131 89.822 -3.810 -6.340 1.00 0.00 C ATOM 989 O ARG B 131 89.943 -3.844 -7.549 1.00 0.00 O ATOM 990 CB ARG B 131 90.667 -5.322 -4.515 1.00 0.00 C ATOM 991 CG ARG B 131 91.878 -5.648 -3.639 1.00 0.00 C ATOM 992 CD ARG B 131 92.158 -7.150 -3.692 1.00 0.00 C ATOM 993 NE ARG B 131 93.208 -7.305 -4.737 1.00 0.00 N ATOM 994 CZ ARG B 131 94.110 -8.241 -4.623 1.00 0.00 C ATOM 995 NH1 ARG B 131 94.691 -8.450 -3.473 1.00 0.00 N ATOM 996 NH2 ARG B 131 94.430 -8.969 -5.658 1.00 0.00 N1+ ATOM 0 H ARG B 131 90.634 -2.987 -3.654 1.00 0.00 H new ATOM 0 HA ARG B 131 91.859 -4.336 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG B 131 89.804 -5.091 -3.890 1.00 0.00 H new ATOM 0 HB3 ARG B 131 90.399 -6.188 -5.121 1.00 0.00 H new ATOM 0 HG2 ARG B 131 92.750 -5.093 -3.985 1.00 0.00 H new ATOM 0 HG3 ARG B 131 91.690 -5.339 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG B 131 92.502 -7.522 -2.727 1.00 0.00 H new ATOM 0 HD3 ARG B 131 91.259 -7.711 -3.948 1.00 0.00 H new ATOM 0 HE ARG B 131 93.222 -6.679 -5.542 1.00 0.00 H new ATOM 0 HH11 ARG B 131 94.440 -7.882 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG B 131 95.396 -9.182 -3.383 1.00 0.00 H new ATOM 0 HH21 ARG B 131 93.975 -8.806 -6.556 1.00 0.00 H new ATOM 0 HH22 ARG B 131 95.135 -9.701 -5.569 1.00 0.00 H new ATOM 1010 N CYS B 132 88.686 -3.480 -5.784 1.00 0.00 N ATOM 1011 CA CYS B 132 87.514 -3.138 -6.641 1.00 0.00 C ATOM 1012 C CYS B 132 87.754 -1.780 -7.301 1.00 0.00 C ATOM 1013 O CYS B 132 87.270 -1.504 -8.382 1.00 0.00 O ATOM 1014 CB CYS B 132 86.320 -3.078 -5.687 1.00 0.00 C ATOM 1015 SG CYS B 132 85.784 -4.760 -5.287 1.00 0.00 S ATOM 0 H CYS B 132 88.520 -3.433 -4.779 1.00 0.00 H new ATOM 0 HA CYS B 132 87.346 -3.863 -7.437 1.00 0.00 H new ATOM 0 HB2 CYS B 132 86.595 -2.546 -4.776 1.00 0.00 H new ATOM 0 HB3 CYS B 132 85.502 -2.523 -6.146 1.00 0.00 H new ATOM 0 HG CYS B 132 84.771 -4.711 -4.474 1.00 0.00 H new ATOM 1020 N LYS B 133 88.517 -0.939 -6.657 1.00 0.00 N ATOM 1021 CA LYS B 133 88.827 0.401 -7.232 1.00 0.00 C ATOM 1022 C LYS B 133 87.578 1.290 -7.275 1.00 0.00 C ATOM 1023 O LYS B 133 87.586 2.343 -7.879 1.00 0.00 O ATOM 1024 CB LYS B 133 89.390 0.099 -8.637 1.00 0.00 C ATOM 1025 CG LYS B 133 88.416 0.505 -9.755 1.00 0.00 C ATOM 1026 CD LYS B 133 88.748 1.923 -10.233 1.00 0.00 C ATOM 1027 CE LYS B 133 87.485 2.588 -10.782 1.00 0.00 C ATOM 1028 NZ LYS B 133 87.348 3.851 -10.003 1.00 0.00 N1+ ATOM 0 H LYS B 133 88.943 -1.125 -5.749 1.00 0.00 H new ATOM 0 HA LYS B 133 89.543 0.961 -6.631 1.00 0.00 H new ATOM 0 HB2 LYS B 133 90.333 0.629 -8.770 1.00 0.00 H new ATOM 0 HB3 LYS B 133 89.609 -0.966 -8.717 1.00 0.00 H new ATOM 0 HG2 LYS B 133 88.487 -0.196 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS B 133 87.390 0.464 -9.390 1.00 0.00 H new ATOM 0 HD2 LYS B 133 89.151 2.511 -9.408 1.00 0.00 H new ATOM 0 HD3 LYS B 133 89.517 1.887 -11.005 1.00 0.00 H new ATOM 0 HE2 LYS B 133 87.577 2.790 -11.849 1.00 0.00 H new ATOM 0 HE3 LYS B 133 86.613 1.947 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 86.443 4.306 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 87.375 3.636 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 88.130 4.493 -10.242 1.00 0.00 H new ATOM 1042 N GLU B 134 86.509 0.895 -6.631 1.00 0.00 N ATOM 1043 CA GLU B 134 85.283 1.754 -6.652 1.00 0.00 C ATOM 1044 C GLU B 134 84.166 1.144 -5.805 1.00 0.00 C ATOM 1045 O GLU B 134 84.225 -0.002 -5.407 1.00 0.00 O ATOM 1046 CB GLU B 134 84.844 1.806 -8.117 1.00 0.00 C ATOM 1047 CG GLU B 134 84.606 0.384 -8.632 1.00 0.00 C ATOM 1048 CD GLU B 134 84.912 0.323 -10.131 1.00 0.00 C ATOM 1049 OE1 GLU B 134 84.294 1.069 -10.872 1.00 0.00 O1- ATOM 1050 OE2 GLU B 134 85.759 -0.468 -10.511 1.00 0.00 O ATOM 0 H GLU B 134 86.430 0.029 -6.099 1.00 0.00 H new ATOM 0 HA GLU B 134 85.492 2.742 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU B 134 83.933 2.396 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU B 134 85.608 2.299 -8.719 1.00 0.00 H new ATOM 0 HG2 GLU B 134 85.239 -0.320 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU B 134 83.573 0.088 -8.449 1.00 0.00 H new ATOM 1057 N SER B 135 83.140 1.911 -5.545 1.00 0.00 N ATOM 1058 CA SER B 135 81.991 1.401 -4.739 1.00 0.00 C ATOM 1059 C SER B 135 82.417 1.128 -3.295 1.00 0.00 C ATOM 1060 O SER B 135 81.834 0.309 -2.612 1.00 0.00 O ATOM 1061 CB SER B 135 81.565 0.107 -5.435 1.00 0.00 C ATOM 1062 OG SER B 135 81.941 -1.008 -4.641 1.00 0.00 O ATOM 0 H SER B 135 83.048 2.877 -5.859 1.00 0.00 H new ATOM 0 HA SER B 135 81.177 2.124 -4.685 1.00 0.00 H new ATOM 0 HB2 SER B 135 80.487 0.106 -5.594 1.00 0.00 H new ATOM 0 HB3 SER B 135 82.032 0.040 -6.418 1.00 0.00 H new ATOM 0 HG SER B 135 82.914 -1.016 -4.528 1.00 0.00 H new ATOM 1068 N ALA B 136 83.427 1.802 -2.818 1.00 0.00 N ATOM 1069 CA ALA B 136 83.878 1.567 -1.415 1.00 0.00 C ATOM 1070 C ALA B 136 83.463 2.737 -0.519 1.00 0.00 C ATOM 1071 O ALA B 136 82.852 3.687 -0.965 1.00 0.00 O ATOM 1072 CB ALA B 136 85.402 1.477 -1.494 1.00 0.00 C ATOM 0 H ALA B 136 83.958 2.502 -3.335 1.00 0.00 H new ATOM 0 HA ALA B 136 83.436 0.666 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA B 136 85.808 1.304 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA B 136 85.684 0.653 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA B 136 85.801 2.410 -1.892 1.00 0.00 H new ATOM 1078 N ASP B 137 83.799 2.677 0.742 1.00 0.00 N ATOM 1079 CA ASP B 137 83.430 3.790 1.665 1.00 0.00 C ATOM 1080 C ASP B 137 84.129 3.612 3.017 1.00 0.00 C ATOM 1081 O ASP B 137 83.627 4.024 4.043 1.00 0.00 O ATOM 1082 CB ASP B 137 81.914 3.684 1.828 1.00 0.00 C ATOM 1083 CG ASP B 137 81.260 4.986 1.359 1.00 0.00 C ATOM 1084 OD1 ASP B 137 81.434 5.329 0.202 1.00 0.00 O ATOM 1085 OD2 ASP B 137 80.598 5.617 2.167 1.00 0.00 O1- ATOM 0 H ASP B 137 84.312 1.907 1.172 1.00 0.00 H new ATOM 0 HA ASP B 137 83.731 4.763 1.278 1.00 0.00 H new ATOM 0 HB2 ASP B 137 81.533 2.843 1.248 1.00 0.00 H new ATOM 0 HB3 ASP B 137 81.662 3.493 2.871 1.00 0.00 H new ATOM 1090 N PHE B 138 85.284 3.003 3.026 1.00 0.00 N ATOM 1091 CA PHE B 138 86.010 2.800 4.314 1.00 0.00 C ATOM 1092 C PHE B 138 87.512 2.648 4.062 1.00 0.00 C ATOM 1093 O PHE B 138 87.935 2.227 3.003 1.00 0.00 O ATOM 1094 CB PHE B 138 85.434 1.507 4.893 1.00 0.00 C ATOM 1095 CG PHE B 138 84.221 1.826 5.734 1.00 0.00 C ATOM 1096 CD1 PHE B 138 84.377 2.236 7.063 1.00 0.00 C ATOM 1097 CD2 PHE B 138 82.938 1.710 5.184 1.00 0.00 C ATOM 1098 CE1 PHE B 138 83.253 2.532 7.842 1.00 0.00 C ATOM 1099 CE2 PHE B 138 81.814 2.005 5.962 1.00 0.00 C ATOM 1100 CZ PHE B 138 81.970 2.416 7.292 1.00 0.00 C ATOM 0 H PHE B 138 85.756 2.638 2.199 1.00 0.00 H new ATOM 0 HA PHE B 138 85.887 3.645 4.992 1.00 0.00 H new ATOM 0 HB2 PHE B 138 85.162 0.825 4.087 1.00 0.00 H new ATOM 0 HB3 PHE B 138 86.186 1.001 5.498 1.00 0.00 H new ATOM 0 HD1 PHE B 138 85.366 2.324 7.488 1.00 0.00 H new ATOM 0 HD2 PHE B 138 82.817 1.393 4.159 1.00 0.00 H new ATOM 0 HE1 PHE B 138 83.375 2.850 8.867 1.00 0.00 H new ATOM 0 HE2 PHE B 138 80.825 1.916 5.537 1.00 0.00 H new ATOM 0 HZ PHE B 138 81.102 2.643 7.893 1.00 0.00 H new ATOM 1110 N TRP B 139 88.320 2.981 5.030 1.00 0.00 N ATOM 1111 CA TRP B 139 89.795 2.851 4.853 1.00 0.00 C ATOM 1112 C TRP B 139 90.437 2.400 6.167 1.00 0.00 C ATOM 1113 O TRP B 139 90.103 2.883 7.230 1.00 0.00 O ATOM 1114 CB TRP B 139 90.276 4.250 4.451 1.00 0.00 C ATOM 1115 CG TRP B 139 91.089 4.857 5.552 1.00 0.00 C ATOM 1116 CD1 TRP B 139 92.367 4.524 5.855 1.00 0.00 C ATOM 1117 CD2 TRP B 139 90.709 5.906 6.488 1.00 0.00 C ATOM 1118 NE1 TRP B 139 92.788 5.293 6.924 1.00 0.00 N ATOM 1119 CE2 TRP B 139 91.803 6.163 7.348 1.00 0.00 C ATOM 1120 CE3 TRP B 139 89.531 6.651 6.675 1.00 0.00 C ATOM 1121 CZ2 TRP B 139 91.731 7.124 8.357 1.00 0.00 C ATOM 1122 CZ3 TRP B 139 89.455 7.620 7.689 1.00 0.00 C ATOM 1123 CH2 TRP B 139 90.553 7.855 8.528 1.00 0.00 C ATOM 0 H TRP B 139 88.023 3.338 5.938 1.00 0.00 H new ATOM 0 HA TRP B 139 90.064 2.109 4.101 1.00 0.00 H new ATOM 0 HB2 TRP B 139 90.872 4.189 3.541 1.00 0.00 H new ATOM 0 HB3 TRP B 139 89.419 4.887 4.229 1.00 0.00 H new ATOM 0 HD1 TRP B 139 92.960 3.779 5.345 1.00 0.00 H new ATOM 0 HE1 TRP B 139 93.713 5.226 7.348 1.00 0.00 H new ATOM 0 HE3 TRP B 139 88.679 6.477 6.035 1.00 0.00 H new ATOM 0 HZ2 TRP B 139 92.580 7.301 9.001 1.00 0.00 H new ATOM 0 HZ3 TRP B 139 88.546 8.187 7.823 1.00 0.00 H new ATOM 0 HH2 TRP B 139 90.488 8.601 9.306 1.00 0.00 H new ATOM 1134 N CYS B 140 91.354 1.474 6.101 1.00 0.00 N ATOM 1135 CA CYS B 140 92.016 0.987 7.345 1.00 0.00 C ATOM 1136 C CYS B 140 92.891 2.088 7.950 1.00 0.00 C ATOM 1137 O CYS B 140 93.703 2.691 7.277 1.00 0.00 O ATOM 1138 CB CYS B 140 92.876 -0.194 6.896 1.00 0.00 C ATOM 1139 SG CYS B 140 91.948 -1.733 7.115 1.00 0.00 S ATOM 0 H CYS B 140 91.674 1.033 5.239 1.00 0.00 H new ATOM 0 HA CYS B 140 91.295 0.702 8.111 1.00 0.00 H new ATOM 0 HB2 CYS B 140 93.161 -0.074 5.851 1.00 0.00 H new ATOM 0 HB3 CYS B 140 93.798 -0.227 7.476 1.00 0.00 H new ATOM 0 HG CYS B 140 92.586 -2.710 6.541 1.00 0.00 H new ATOM 1144 N PHE B 141 92.734 2.351 9.219 1.00 0.00 N ATOM 1145 CA PHE B 141 93.559 3.409 9.870 1.00 0.00 C ATOM 1146 C PHE B 141 95.015 2.948 9.976 1.00 0.00 C ATOM 1147 O PHE B 141 95.935 3.709 9.745 1.00 0.00 O ATOM 1148 CB PHE B 141 92.949 3.585 11.261 1.00 0.00 C ATOM 1149 CG PHE B 141 93.882 4.407 12.118 1.00 0.00 C ATOM 1150 CD1 PHE B 141 94.615 5.455 11.550 1.00 0.00 C ATOM 1151 CD2 PHE B 141 94.013 4.120 13.483 1.00 0.00 C ATOM 1152 CE1 PHE B 141 95.479 6.216 12.345 1.00 0.00 C ATOM 1153 CE2 PHE B 141 94.876 4.882 14.278 1.00 0.00 C ATOM 1154 CZ PHE B 141 95.610 5.930 13.708 1.00 0.00 C ATOM 0 H PHE B 141 92.070 1.879 9.833 1.00 0.00 H new ATOM 0 HA PHE B 141 93.560 4.341 9.305 1.00 0.00 H new ATOM 0 HB2 PHE B 141 91.979 4.077 11.185 1.00 0.00 H new ATOM 0 HB3 PHE B 141 92.778 2.612 11.721 1.00 0.00 H new ATOM 0 HD1 PHE B 141 94.514 5.676 10.498 1.00 0.00 H new ATOM 0 HD2 PHE B 141 93.448 3.311 13.921 1.00 0.00 H new ATOM 0 HE1 PHE B 141 96.045 7.024 11.906 1.00 0.00 H new ATOM 0 HE2 PHE B 141 94.976 4.662 15.331 1.00 0.00 H new ATOM 0 HZ PHE B 141 96.277 6.517 14.321 1.00 0.00 H new ATOM 1164 N GLU B 142 95.232 1.709 10.321 1.00 0.00 N ATOM 1165 CA GLU B 142 96.629 1.200 10.438 1.00 0.00 C ATOM 1166 C GLU B 142 97.231 0.992 9.046 1.00 0.00 C ATOM 1167 O GLU B 142 98.324 1.438 8.758 1.00 0.00 O ATOM 1168 CB GLU B 142 96.506 -0.136 11.171 1.00 0.00 C ATOM 1169 CG GLU B 142 96.204 0.115 12.650 1.00 0.00 C ATOM 1170 CD GLU B 142 94.739 -0.217 12.936 1.00 0.00 C ATOM 1171 OE1 GLU B 142 94.433 -1.391 13.069 1.00 0.00 O1- ATOM 1172 OE2 GLU B 142 93.947 0.707 13.019 1.00 0.00 O ATOM 0 H GLU B 142 94.503 1.026 10.527 1.00 0.00 H new ATOM 0 HA GLU B 142 97.279 1.896 10.968 1.00 0.00 H new ATOM 0 HB2 GLU B 142 95.713 -0.736 10.724 1.00 0.00 H new ATOM 0 HB3 GLU B 142 97.431 -0.704 11.070 1.00 0.00 H new ATOM 0 HG2 GLU B 142 96.855 -0.497 13.274 1.00 0.00 H new ATOM 0 HG3 GLU B 142 96.408 1.156 12.902 1.00 0.00 H new ATOM 1179 N CYS B 143 96.525 0.315 8.183 1.00 0.00 N ATOM 1180 CA CYS B 143 97.054 0.075 6.810 1.00 0.00 C ATOM 1181 C CYS B 143 96.903 1.335 5.949 1.00 0.00 C ATOM 1182 O CYS B 143 97.502 1.450 4.899 1.00 0.00 O ATOM 1183 CB CYS B 143 96.199 -1.062 6.249 1.00 0.00 C ATOM 1184 SG CYS B 143 96.156 -2.428 7.437 1.00 0.00 S ATOM 0 H CYS B 143 95.604 -0.083 8.369 1.00 0.00 H new ATOM 0 HA CYS B 143 98.115 -0.176 6.818 1.00 0.00 H new ATOM 0 HB2 CYS B 143 95.188 -0.707 6.050 1.00 0.00 H new ATOM 0 HB3 CYS B 143 96.609 -1.405 5.299 1.00 0.00 H new ATOM 0 HG CYS B 143 95.427 -3.394 6.961 1.00 0.00 H new ATOM 1189 N GLU B 144 96.107 2.276 6.381 1.00 0.00 N ATOM 1190 CA GLU B 144 95.922 3.520 5.579 1.00 0.00 C ATOM 1191 C GLU B 144 95.521 3.167 4.145 1.00 0.00 C ATOM 1192 O GLU B 144 95.763 3.916 3.219 1.00 0.00 O ATOM 1193 CB GLU B 144 97.287 4.212 5.599 1.00 0.00 C ATOM 1194 CG GLU B 144 97.655 4.574 7.038 1.00 0.00 C ATOM 1195 CD GLU B 144 96.856 5.803 7.474 1.00 0.00 C ATOM 1196 OE1 GLU B 144 96.296 6.458 6.611 1.00 0.00 O1- ATOM 1197 OE2 GLU B 144 96.818 6.069 8.664 1.00 0.00 O ATOM 0 H GLU B 144 95.578 2.238 7.252 1.00 0.00 H new ATOM 0 HA GLU B 144 95.136 4.159 5.982 1.00 0.00 H new ATOM 0 HB2 GLU B 144 98.046 3.555 5.173 1.00 0.00 H new ATOM 0 HB3 GLU B 144 97.260 5.110 4.982 1.00 0.00 H new ATOM 0 HG2 GLU B 144 97.443 3.735 7.701 1.00 0.00 H new ATOM 0 HG3 GLU B 144 98.723 4.777 7.112 1.00 0.00 H new ATOM 1204 N GLN B 145 94.911 2.030 3.955 1.00 0.00 N ATOM 1205 CA GLN B 145 94.495 1.627 2.580 1.00 0.00 C ATOM 1206 C GLN B 145 92.980 1.771 2.420 1.00 0.00 C ATOM 1207 O GLN B 145 92.252 1.896 3.386 1.00 0.00 O ATOM 1208 CB GLN B 145 94.909 0.160 2.458 1.00 0.00 C ATOM 1209 CG GLN B 145 96.372 0.077 2.017 1.00 0.00 C ATOM 1210 CD GLN B 145 96.971 -1.251 2.483 1.00 0.00 C ATOM 1211 OE1 GLN B 145 98.031 -1.277 3.075 1.00 0.00 O ATOM 1212 NE2 GLN B 145 96.332 -2.362 2.240 1.00 0.00 N ATOM 0 H GLN B 145 94.682 1.362 4.691 1.00 0.00 H new ATOM 0 HA GLN B 145 94.955 2.248 1.811 1.00 0.00 H new ATOM 0 HB2 GLN B 145 94.777 -0.347 3.414 1.00 0.00 H new ATOM 0 HB3 GLN B 145 94.271 -0.350 1.736 1.00 0.00 H new ATOM 0 HG2 GLN B 145 96.441 0.158 0.932 1.00 0.00 H new ATOM 0 HG3 GLN B 145 96.937 0.910 2.436 1.00 0.00 H new ATOM 0 HE21 GLN B 145 95.442 -2.340 1.743 1.00 0.00 H new ATOM 0 HE22 GLN B 145 96.723 -3.253 2.547 1.00 0.00 H new ATOM 1221 N LEU B 146 92.499 1.750 1.207 1.00 0.00 N ATOM 1222 CA LEU B 146 91.031 1.880 0.984 1.00 0.00 C ATOM 1223 C LEU B 146 90.395 0.492 0.890 1.00 0.00 C ATOM 1224 O LEU B 146 91.042 -0.472 0.532 1.00 0.00 O ATOM 1225 CB LEU B 146 90.898 2.627 -0.343 1.00 0.00 C ATOM 1226 CG LEU B 146 91.795 3.867 -0.320 1.00 0.00 C ATOM 1227 CD1 LEU B 146 91.664 4.618 -1.647 1.00 0.00 C ATOM 1228 CD2 LEU B 146 91.370 4.783 0.829 1.00 0.00 C ATOM 0 H LEU B 146 93.059 1.648 0.361 1.00 0.00 H new ATOM 0 HA LEU B 146 90.529 2.407 1.796 1.00 0.00 H new ATOM 0 HB2 LEU B 146 91.181 1.975 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU B 146 89.860 2.918 -0.507 1.00 0.00 H new ATOM 0 HG LEU B 146 92.832 3.562 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU B 146 92.303 5.501 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU B 146 91.968 3.966 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU B 146 90.628 4.923 -1.792 1.00 0.00 H new ATOM 0 HD21 LEU B 146 92.009 5.666 0.846 1.00 0.00 H new ATOM 0 HD22 LEU B 146 90.333 5.088 0.687 1.00 0.00 H new ATOM 0 HD23 LEU B 146 91.465 4.249 1.774 1.00 0.00 H new ATOM 1240 N LEU B 147 89.136 0.378 1.210 1.00 0.00 N ATOM 1241 CA LEU B 147 88.472 -0.954 1.139 1.00 0.00 C ATOM 1242 C LEU B 147 86.998 -0.789 0.769 1.00 0.00 C ATOM 1243 O LEU B 147 86.368 0.195 1.104 1.00 0.00 O ATOM 1244 CB LEU B 147 88.612 -1.546 2.543 1.00 0.00 C ATOM 1245 CG LEU B 147 90.017 -2.131 2.712 1.00 0.00 C ATOM 1246 CD1 LEU B 147 90.197 -2.622 4.149 1.00 0.00 C ATOM 1247 CD2 LEU B 147 90.201 -3.303 1.746 1.00 0.00 C ATOM 0 H LEU B 147 88.540 1.147 1.517 1.00 0.00 H new ATOM 0 HA LEU B 147 88.919 -1.598 0.382 1.00 0.00 H new ATOM 0 HB2 LEU B 147 88.434 -0.776 3.294 1.00 0.00 H new ATOM 0 HB3 LEU B 147 87.862 -2.322 2.699 1.00 0.00 H new ATOM 0 HG LEU B 147 90.758 -1.362 2.496 1.00 0.00 H new ATOM 0 HD11 LEU B 147 91.197 -3.038 4.269 1.00 0.00 H new ATOM 0 HD12 LEU B 147 90.067 -1.787 4.838 1.00 0.00 H new ATOM 0 HD13 LEU B 147 89.456 -3.391 4.366 1.00 0.00 H new ATOM 0 HD21 LEU B 147 91.201 -3.720 1.866 1.00 0.00 H new ATOM 0 HD22 LEU B 147 89.459 -4.072 1.961 1.00 0.00 H new ATOM 0 HD23 LEU B 147 90.074 -2.953 0.721 1.00 0.00 H new ATOM 1259 N CYS B 148 86.450 -1.741 0.073 1.00 0.00 N ATOM 1260 CA CYS B 148 85.021 -1.643 -0.332 1.00 0.00 C ATOM 1261 C CYS B 148 84.119 -2.305 0.712 1.00 0.00 C ATOM 1262 O CYS B 148 84.579 -3.002 1.592 1.00 0.00 O ATOM 1263 CB CYS B 148 84.951 -2.393 -1.657 1.00 0.00 C ATOM 1264 SG CYS B 148 84.180 -1.361 -2.915 1.00 0.00 S ATOM 0 H CYS B 148 86.931 -2.586 -0.235 1.00 0.00 H new ATOM 0 HA CYS B 148 84.683 -0.611 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS B 148 85.954 -2.679 -1.975 1.00 0.00 H new ATOM 0 HB3 CYS B 148 84.381 -3.314 -1.532 1.00 0.00 H new ATOM 0 HG CYS B 148 82.975 -1.049 -2.541 1.00 0.00 H new ATOM 1269 N ALA B 149 82.836 -2.090 0.620 1.00 0.00 N ATOM 1270 CA ALA B 149 81.904 -2.704 1.609 1.00 0.00 C ATOM 1271 C ALA B 149 82.149 -4.212 1.700 1.00 0.00 C ATOM 1272 O ALA B 149 82.134 -4.788 2.770 1.00 0.00 O ATOM 1273 CB ALA B 149 80.504 -2.417 1.065 1.00 0.00 C ATOM 0 H ALA B 149 82.392 -1.516 -0.097 1.00 0.00 H new ATOM 0 HA ALA B 149 82.040 -2.300 2.612 1.00 0.00 H new ATOM 0 HB1 ALA B 149 79.758 -2.838 1.739 1.00 0.00 H new ATOM 0 HB2 ALA B 149 80.357 -1.340 0.989 1.00 0.00 H new ATOM 0 HB3 ALA B 149 80.397 -2.868 0.078 1.00 0.00 H new ATOM 1279 N LYS B 150 82.378 -4.857 0.589 1.00 0.00 N ATOM 1280 CA LYS B 150 82.627 -6.327 0.621 1.00 0.00 C ATOM 1281 C LYS B 150 84.042 -6.612 1.133 1.00 0.00 C ATOM 1282 O LYS B 150 84.347 -7.706 1.565 1.00 0.00 O ATOM 1283 CB LYS B 150 82.475 -6.791 -0.828 1.00 0.00 C ATOM 1284 CG LYS B 150 81.456 -7.932 -0.893 1.00 0.00 C ATOM 1285 CD LYS B 150 82.134 -9.247 -0.502 1.00 0.00 C ATOM 1286 CE LYS B 150 81.365 -9.894 0.652 1.00 0.00 C ATOM 1287 NZ LYS B 150 82.236 -11.012 1.112 1.00 0.00 N1+ ATOM 0 H LYS B 150 82.404 -4.431 -0.338 1.00 0.00 H new ATOM 0 HA LYS B 150 81.938 -6.847 1.286 1.00 0.00 H new ATOM 0 HB2 LYS B 150 82.148 -5.961 -1.455 1.00 0.00 H new ATOM 0 HB3 LYS B 150 83.437 -7.125 -1.217 1.00 0.00 H new ATOM 0 HG2 LYS B 150 80.622 -7.727 -0.222 1.00 0.00 H new ATOM 0 HG3 LYS B 150 81.044 -8.008 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS B 150 82.163 -9.922 -1.357 1.00 0.00 H new ATOM 0 HD3 LYS B 150 83.167 -9.062 -0.207 1.00 0.00 H new ATOM 0 HE2 LYS B 150 81.182 -9.180 1.455 1.00 0.00 H new ATOM 0 HE3 LYS B 150 80.392 -10.260 0.323 1.00 0.00 H new ATOM 0 HZ1 LYS B 150 81.777 -11.506 1.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 150 82.387 -11.679 0.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 150 83.152 -10.632 1.425 1.00 0.00 H new ATOM 1301 N CYS B 151 84.909 -5.635 1.092 1.00 0.00 N ATOM 1302 CA CYS B 151 86.301 -5.853 1.581 1.00 0.00 C ATOM 1303 C CYS B 151 86.414 -5.424 3.047 1.00 0.00 C ATOM 1304 O CYS B 151 86.906 -6.155 3.884 1.00 0.00 O ATOM 1305 CB CYS B 151 87.182 -4.969 0.694 1.00 0.00 C ATOM 1306 SG CYS B 151 86.554 -4.985 -1.006 1.00 0.00 S ATOM 0 H CYS B 151 84.713 -4.697 0.742 1.00 0.00 H new ATOM 0 HA CYS B 151 86.598 -6.901 1.529 1.00 0.00 H new ATOM 0 HB2 CYS B 151 87.193 -3.949 1.078 1.00 0.00 H new ATOM 0 HB3 CYS B 151 88.211 -5.328 0.715 1.00 0.00 H new ATOM 0 HG CYS B 151 87.319 -4.251 -1.758 1.00 0.00 H new ATOM 1311 N PHE B 152 85.960 -4.241 3.363 1.00 0.00 N ATOM 1312 CA PHE B 152 86.038 -3.762 4.773 1.00 0.00 C ATOM 1313 C PHE B 152 85.299 -4.730 5.699 1.00 0.00 C ATOM 1314 O PHE B 152 85.843 -5.210 6.676 1.00 0.00 O ATOM 1315 CB PHE B 152 85.348 -2.397 4.762 1.00 0.00 C ATOM 1316 CG PHE B 152 84.682 -2.157 6.094 1.00 0.00 C ATOM 1317 CD1 PHE B 152 85.460 -1.998 7.248 1.00 0.00 C ATOM 1318 CD2 PHE B 152 83.286 -2.092 6.177 1.00 0.00 C ATOM 1319 CE1 PHE B 152 84.842 -1.775 8.483 1.00 0.00 C ATOM 1320 CE2 PHE B 152 82.668 -1.870 7.413 1.00 0.00 C ATOM 1321 CZ PHE B 152 83.446 -1.711 8.566 1.00 0.00 C ATOM 0 H PHE B 152 85.538 -3.585 2.705 1.00 0.00 H new ATOM 0 HA PHE B 152 87.064 -3.698 5.135 1.00 0.00 H new ATOM 0 HB2 PHE B 152 86.076 -1.611 4.561 1.00 0.00 H new ATOM 0 HB3 PHE B 152 84.609 -2.358 3.962 1.00 0.00 H new ATOM 0 HD1 PHE B 152 86.537 -2.048 7.184 1.00 0.00 H new ATOM 0 HD2 PHE B 152 82.686 -2.213 5.287 1.00 0.00 H new ATOM 0 HE1 PHE B 152 85.442 -1.652 9.373 1.00 0.00 H new ATOM 0 HE2 PHE B 152 81.591 -1.821 7.477 1.00 0.00 H new ATOM 0 HZ PHE B 152 82.969 -1.539 9.520 1.00 0.00 H new ATOM 1331 N GLU B 153 84.064 -5.026 5.398 1.00 0.00 N ATOM 1332 CA GLU B 153 83.295 -5.967 6.259 1.00 0.00 C ATOM 1333 C GLU B 153 84.078 -7.270 6.427 1.00 0.00 C ATOM 1334 O GLU B 153 84.185 -7.805 7.514 1.00 0.00 O ATOM 1335 CB GLU B 153 81.991 -6.210 5.503 1.00 0.00 C ATOM 1336 CG GLU B 153 81.252 -7.393 6.127 1.00 0.00 C ATOM 1337 CD GLU B 153 80.913 -7.071 7.584 1.00 0.00 C ATOM 1338 OE1 GLU B 153 80.642 -5.916 7.868 1.00 0.00 O ATOM 1339 OE2 GLU B 153 80.930 -7.986 8.392 1.00 0.00 O1- ATOM 0 H GLU B 153 83.556 -4.657 4.594 1.00 0.00 H new ATOM 0 HA GLU B 153 83.114 -5.573 7.259 1.00 0.00 H new ATOM 0 HB2 GLU B 153 81.366 -5.318 5.539 1.00 0.00 H new ATOM 0 HB3 GLU B 153 82.200 -6.411 4.452 1.00 0.00 H new ATOM 0 HG2 GLU B 153 80.340 -7.602 5.568 1.00 0.00 H new ATOM 0 HG3 GLU B 153 81.870 -8.290 6.076 1.00 0.00 H new ATOM 1346 N ALA B 154 84.634 -7.779 5.362 1.00 0.00 N ATOM 1347 CA ALA B 154 85.419 -9.041 5.465 1.00 0.00 C ATOM 1348 C ALA B 154 86.551 -8.863 6.478 1.00 0.00 C ATOM 1349 O ALA B 154 86.914 -9.779 7.189 1.00 0.00 O ATOM 1350 CB ALA B 154 85.984 -9.273 4.062 1.00 0.00 C ATOM 0 H ALA B 154 84.579 -7.376 4.427 1.00 0.00 H new ATOM 0 HA ALA B 154 84.815 -9.884 5.801 1.00 0.00 H new ATOM 0 HB1 ALA B 154 86.577 -10.188 4.055 1.00 0.00 H new ATOM 0 HB2 ALA B 154 85.164 -9.367 3.350 1.00 0.00 H new ATOM 0 HB3 ALA B 154 86.614 -8.430 3.780 1.00 0.00 H new ATOM 1356 N HIS B 155 87.106 -7.684 6.553 1.00 0.00 N ATOM 1357 CA HIS B 155 88.211 -7.436 7.523 1.00 0.00 C ATOM 1358 C HIS B 155 87.683 -7.545 8.957 1.00 0.00 C ATOM 1359 O HIS B 155 88.143 -8.353 9.740 1.00 0.00 O ATOM 1360 CB HIS B 155 88.678 -6.010 7.230 1.00 0.00 C ATOM 1361 CG HIS B 155 90.142 -5.882 7.550 1.00 0.00 C ATOM 1362 ND1 HIS B 155 90.807 -6.793 8.355 1.00 0.00 N ATOM 1363 CD2 HIS B 155 91.082 -4.952 7.179 1.00 0.00 C ATOM 1364 CE1 HIS B 155 92.089 -6.395 8.442 1.00 0.00 C ATOM 1365 NE2 HIS B 155 92.311 -5.279 7.745 1.00 0.00 N ATOM 0 H HIS B 155 86.841 -6.880 5.983 1.00 0.00 H new ATOM 0 HA HIS B 155 89.022 -8.158 7.425 1.00 0.00 H new ATOM 0 HB2 HIS B 155 88.502 -5.767 6.182 1.00 0.00 H new ATOM 0 HB3 HIS B 155 88.102 -5.299 7.823 1.00 0.00 H new ATOM 0 HD2 HIS B 155 90.896 -4.098 6.545 1.00 0.00 H new ATOM 0 HE1 HIS B 155 92.847 -6.916 9.008 1.00 0.00 H new ATOM 0 HE2 HIS B 155 93.192 -4.774 7.648 1.00 0.00 H new ATOM 1373 N GLN B 156 86.718 -6.736 9.302 1.00 0.00 N ATOM 1374 CA GLN B 156 86.156 -6.789 10.683 1.00 0.00 C ATOM 1375 C GLN B 156 85.583 -8.180 10.975 1.00 0.00 C ATOM 1376 O GLN B 156 85.359 -8.540 12.114 1.00 0.00 O ATOM 1377 CB GLN B 156 85.045 -5.738 10.698 1.00 0.00 C ATOM 1378 CG GLN B 156 84.838 -5.235 12.127 1.00 0.00 C ATOM 1379 CD GLN B 156 83.817 -4.095 12.124 1.00 0.00 C ATOM 1380 OE1 GLN B 156 82.897 -4.085 12.918 1.00 0.00 O ATOM 1381 NE2 GLN B 156 83.942 -3.127 11.258 1.00 0.00 N ATOM 0 H GLN B 156 86.294 -6.041 8.688 1.00 0.00 H new ATOM 0 HA GLN B 156 86.914 -6.595 11.442 1.00 0.00 H new ATOM 0 HB2 GLN B 156 85.307 -4.907 10.043 1.00 0.00 H new ATOM 0 HB3 GLN B 156 84.119 -6.167 10.314 1.00 0.00 H new ATOM 0 HG2 GLN B 156 84.489 -6.048 12.763 1.00 0.00 H new ATOM 0 HG3 GLN B 156 85.784 -4.889 12.543 1.00 0.00 H new ATOM 0 HE21 GLN B 156 84.714 -3.135 10.592 1.00 0.00 H new ATOM 0 HE22 GLN B 156 83.268 -2.362 11.247 1.00 0.00 H new ATOM 1390 N TRP B 157 85.343 -8.965 9.961 1.00 0.00 N ATOM 1391 CA TRP B 157 84.785 -10.328 10.188 1.00 0.00 C ATOM 1392 C TRP B 157 85.913 -11.362 10.212 1.00 0.00 C ATOM 1393 O TRP B 157 85.913 -12.281 11.006 1.00 0.00 O ATOM 1394 CB TRP B 157 83.853 -10.580 9.003 1.00 0.00 C ATOM 1395 CG TRP B 157 82.620 -11.278 9.477 1.00 0.00 C ATOM 1396 CD1 TRP B 157 82.219 -12.507 9.077 1.00 0.00 C ATOM 1397 CD2 TRP B 157 81.622 -10.813 10.431 1.00 0.00 C ATOM 1398 NE1 TRP B 157 81.038 -12.826 9.724 1.00 0.00 N ATOM 1399 CE2 TRP B 157 80.630 -11.813 10.569 1.00 0.00 C ATOM 1400 CE3 TRP B 157 81.481 -9.632 11.183 1.00 0.00 C ATOM 1401 CZ2 TRP B 157 79.537 -11.648 11.422 1.00 0.00 C ATOM 1402 CZ3 TRP B 157 80.383 -9.462 12.042 1.00 0.00 C ATOM 1403 CH2 TRP B 157 79.413 -10.468 12.161 1.00 0.00 C ATOM 0 H TRP B 157 85.509 -8.721 8.985 1.00 0.00 H new ATOM 0 HA TRP B 157 84.261 -10.405 11.141 1.00 0.00 H new ATOM 0 HB2 TRP B 157 83.589 -9.635 8.528 1.00 0.00 H new ATOM 0 HB3 TRP B 157 84.359 -11.185 8.251 1.00 0.00 H new ATOM 0 HD1 TRP B 157 82.736 -13.136 8.368 1.00 0.00 H new ATOM 0 HE1 TRP B 157 80.531 -13.702 9.593 1.00 0.00 H new ATOM 0 HE3 TRP B 157 82.222 -8.851 11.099 1.00 0.00 H new ATOM 0 HZ2 TRP B 157 78.793 -12.426 11.510 1.00 0.00 H new ATOM 0 HZ3 TRP B 157 80.285 -8.551 12.614 1.00 0.00 H new ATOM 0 HH2 TRP B 157 78.571 -10.331 12.823 1.00 0.00 H new ATOM 1414 N PHE B 158 86.877 -11.216 9.343 1.00 0.00 N ATOM 1415 CA PHE B 158 88.006 -12.189 9.314 1.00 0.00 C ATOM 1416 C PHE B 158 88.864 -12.049 10.573 1.00 0.00 C ATOM 1417 O PHE B 158 89.634 -12.927 10.910 1.00 0.00 O ATOM 1418 CB PHE B 158 88.814 -11.820 8.070 1.00 0.00 C ATOM 1419 CG PHE B 158 88.251 -12.545 6.870 1.00 0.00 C ATOM 1420 CD1 PHE B 158 86.883 -12.466 6.584 1.00 0.00 C ATOM 1421 CD2 PHE B 158 89.097 -13.294 6.043 1.00 0.00 C ATOM 1422 CE1 PHE B 158 86.360 -13.137 5.472 1.00 0.00 C ATOM 1423 CE2 PHE B 158 88.575 -13.965 4.931 1.00 0.00 C ATOM 1424 CZ PHE B 158 87.206 -13.886 4.645 1.00 0.00 C ATOM 0 H PHE B 158 86.931 -10.466 8.653 1.00 0.00 H new ATOM 0 HA PHE B 158 87.658 -13.222 9.284 1.00 0.00 H new ATOM 0 HB2 PHE B 158 88.779 -10.743 7.907 1.00 0.00 H new ATOM 0 HB3 PHE B 158 89.861 -12.087 8.211 1.00 0.00 H new ATOM 0 HD1 PHE B 158 86.231 -11.887 7.221 1.00 0.00 H new ATOM 0 HD2 PHE B 158 90.153 -13.354 6.263 1.00 0.00 H new ATOM 0 HE1 PHE B 158 85.304 -13.077 5.252 1.00 0.00 H new ATOM 0 HE2 PHE B 158 89.227 -14.543 4.294 1.00 0.00 H new ATOM 0 HZ PHE B 158 86.803 -14.403 3.787 1.00 0.00 H new ATOM 1434 N LEU B 159 88.745 -10.954 11.270 1.00 0.00 N ATOM 1435 CA LEU B 159 89.563 -10.767 12.501 1.00 0.00 C ATOM 1436 C LEU B 159 89.139 -9.482 13.224 1.00 0.00 C ATOM 1437 O LEU B 159 87.979 -9.121 13.233 1.00 0.00 O ATOM 1438 CB LEU B 159 90.992 -10.658 11.987 1.00 0.00 C ATOM 1439 CG LEU B 159 91.072 -9.480 11.025 1.00 0.00 C ATOM 1440 CD1 LEU B 159 91.989 -8.400 11.601 1.00 0.00 C ATOM 1441 CD2 LEU B 159 91.624 -9.969 9.695 1.00 0.00 C ATOM 0 H LEU B 159 88.119 -10.182 11.042 1.00 0.00 H new ATOM 0 HA LEU B 159 89.446 -11.579 13.219 1.00 0.00 H new ATOM 0 HB2 LEU B 159 91.683 -10.516 12.818 1.00 0.00 H new ATOM 0 HB3 LEU B 159 91.284 -11.579 11.483 1.00 0.00 H new ATOM 0 HG LEU B 159 90.079 -9.056 10.879 1.00 0.00 H new ATOM 0 HD11 LEU B 159 92.042 -7.560 10.908 1.00 0.00 H new ATOM 0 HD12 LEU B 159 91.592 -8.057 12.557 1.00 0.00 H new ATOM 0 HD13 LEU B 159 92.987 -8.812 11.749 1.00 0.00 H new ATOM 0 HD21 LEU B 159 91.686 -9.134 8.998 1.00 0.00 H new ATOM 0 HD22 LEU B 159 92.618 -10.390 9.846 1.00 0.00 H new ATOM 0 HD23 LEU B 159 90.964 -10.735 9.287 1.00 0.00 H new ATOM 1453 N LYS B 160 90.065 -8.788 13.828 1.00 0.00 N ATOM 1454 CA LYS B 160 89.708 -7.530 14.544 1.00 0.00 C ATOM 1455 C LYS B 160 90.472 -6.347 13.946 1.00 0.00 C ATOM 1456 O LYS B 160 91.674 -6.237 14.089 1.00 0.00 O ATOM 1457 CB LYS B 160 90.129 -7.763 15.995 1.00 0.00 C ATOM 1458 CG LYS B 160 89.021 -8.520 16.730 1.00 0.00 C ATOM 1459 CD LYS B 160 88.273 -7.559 17.657 1.00 0.00 C ATOM 1460 CE LYS B 160 89.102 -7.319 18.920 1.00 0.00 C ATOM 1461 NZ LYS B 160 88.647 -8.366 19.880 1.00 0.00 N1+ ATOM 0 H LYS B 160 91.054 -9.038 13.857 1.00 0.00 H new ATOM 0 HA LYS B 160 88.646 -7.297 14.462 1.00 0.00 H new ATOM 0 HB2 LYS B 160 91.058 -8.332 16.029 1.00 0.00 H new ATOM 0 HB3 LYS B 160 90.321 -6.810 16.487 1.00 0.00 H new ATOM 0 HG2 LYS B 160 88.330 -8.961 16.012 1.00 0.00 H new ATOM 0 HG3 LYS B 160 89.448 -9.340 17.307 1.00 0.00 H new ATOM 0 HD2 LYS B 160 88.088 -6.614 17.146 1.00 0.00 H new ATOM 0 HD3 LYS B 160 87.301 -7.975 17.921 1.00 0.00 H new ATOM 0 HE2 LYS B 160 90.169 -7.407 18.715 1.00 0.00 H new ATOM 0 HE3 LYS B 160 88.935 -6.318 19.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 160 89.170 -8.268 20.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 160 87.629 -8.253 20.060 1.00 0.00 H new ATOM 0 HZ3 LYS B 160 88.824 -9.308 19.476 1.00 0.00 H new ATOM 1475 N HIS B 161 89.787 -5.461 13.279 1.00 0.00 N ATOM 1476 CA HIS B 161 90.477 -4.286 12.676 1.00 0.00 C ATOM 1477 C HIS B 161 89.598 -3.041 12.795 1.00 0.00 C ATOM 1478 O HIS B 161 88.386 -3.119 12.752 1.00 0.00 O ATOM 1479 CB HIS B 161 90.685 -4.656 11.208 1.00 0.00 C ATOM 1480 CG HIS B 161 92.032 -4.164 10.753 1.00 0.00 C ATOM 1481 ND1 HIS B 161 93.144 -4.991 10.706 1.00 0.00 N ATOM 1482 CD2 HIS B 161 92.461 -2.934 10.318 1.00 0.00 C ATOM 1483 CE1 HIS B 161 94.178 -4.254 10.260 1.00 0.00 C ATOM 1484 NE2 HIS B 161 93.816 -2.992 10.008 1.00 0.00 N ATOM 0 H HIS B 161 88.779 -5.499 13.125 1.00 0.00 H new ATOM 0 HA HIS B 161 91.419 -4.060 13.175 1.00 0.00 H new ATOM 0 HB2 HIS B 161 90.619 -5.737 11.081 1.00 0.00 H new ATOM 0 HB3 HIS B 161 89.899 -4.214 10.596 1.00 0.00 H new ATOM 0 HD2 HIS B 161 91.840 -2.055 10.230 1.00 0.00 H new ATOM 0 HE1 HIS B 161 95.179 -4.636 10.122 1.00 0.00 H new ATOM 0 HE2 HIS B 161 94.406 -2.235 9.663 1.00 0.00 H new ATOM 1492 N GLU B 162 90.197 -1.895 12.941 1.00 0.00 N ATOM 1493 CA GLU B 162 89.393 -0.646 13.058 1.00 0.00 C ATOM 1494 C GLU B 162 89.518 0.180 11.775 1.00 0.00 C ATOM 1495 O GLU B 162 90.598 0.561 11.369 1.00 0.00 O ATOM 1496 CB GLU B 162 89.986 0.107 14.253 1.00 0.00 C ATOM 1497 CG GLU B 162 91.392 0.604 13.908 1.00 0.00 C ATOM 1498 CD GLU B 162 92.254 0.613 15.173 1.00 0.00 C ATOM 1499 OE1 GLU B 162 92.699 -0.452 15.569 1.00 0.00 O ATOM 1500 OE2 GLU B 162 92.453 1.683 15.723 1.00 0.00 O1- ATOM 0 H GLU B 162 91.208 -1.767 12.985 1.00 0.00 H new ATOM 0 HA GLU B 162 88.332 -0.849 13.202 1.00 0.00 H new ATOM 0 HB2 GLU B 162 89.347 0.950 14.517 1.00 0.00 H new ATOM 0 HB3 GLU B 162 90.025 -0.548 15.124 1.00 0.00 H new ATOM 0 HG2 GLU B 162 91.842 -0.040 13.153 1.00 0.00 H new ATOM 0 HG3 GLU B 162 91.341 1.606 13.483 1.00 0.00 H new ATOM 1507 N ALA B 163 88.418 0.456 11.130 1.00 0.00 N ATOM 1508 CA ALA B 163 88.472 1.253 9.874 1.00 0.00 C ATOM 1509 C ALA B 163 87.466 2.403 9.939 1.00 0.00 C ATOM 1510 O ALA B 163 86.469 2.328 10.629 1.00 0.00 O ATOM 1511 CB ALA B 163 88.094 0.271 8.764 1.00 0.00 C ATOM 0 H ALA B 163 87.485 0.164 11.419 1.00 0.00 H new ATOM 0 HA ALA B 163 89.453 1.697 9.707 1.00 0.00 H new ATOM 0 HB1 ALA B 163 88.111 0.784 7.803 1.00 0.00 H new ATOM 0 HB2 ALA B 163 88.808 -0.553 8.748 1.00 0.00 H new ATOM 0 HB3 ALA B 163 87.093 -0.120 8.949 1.00 0.00 H new ATOM 1517 N ARG B 164 87.718 3.467 9.230 1.00 0.00 N ATOM 1518 CA ARG B 164 86.772 4.619 9.257 1.00 0.00 C ATOM 1519 C ARG B 164 86.161 4.835 7.871 1.00 0.00 C ATOM 1520 O ARG B 164 86.712 4.409 6.875 1.00 0.00 O ATOM 1521 CB ARG B 164 87.626 5.819 9.665 1.00 0.00 C ATOM 1522 CG ARG B 164 88.029 5.682 11.136 1.00 0.00 C ATOM 1523 CD ARG B 164 86.827 5.998 12.028 1.00 0.00 C ATOM 1524 NE ARG B 164 87.181 7.275 12.708 1.00 0.00 N ATOM 1525 CZ ARG B 164 86.460 8.344 12.506 1.00 0.00 C ATOM 1526 NH1 ARG B 164 85.163 8.289 12.636 1.00 0.00 N1+ ATOM 1527 NH2 ARG B 164 87.036 9.467 12.174 1.00 0.00 N ATOM 0 H ARG B 164 88.536 3.590 8.634 1.00 0.00 H new ATOM 0 HA ARG B 164 85.941 4.458 9.944 1.00 0.00 H new ATOM 0 HB2 ARG B 164 88.515 5.876 9.037 1.00 0.00 H new ATOM 0 HB3 ARG B 164 87.069 6.744 9.514 1.00 0.00 H new ATOM 0 HG2 ARG B 164 88.386 4.671 11.333 1.00 0.00 H new ATOM 0 HG3 ARG B 164 88.852 6.360 11.363 1.00 0.00 H new ATOM 0 HD2 ARG B 164 85.915 6.103 11.440 1.00 0.00 H new ATOM 0 HD3 ARG B 164 86.651 5.201 12.750 1.00 0.00 H new ATOM 0 HE ARG B 164 87.987 7.314 13.332 1.00 0.00 H new ATOM 0 HH11 ARG B 164 84.713 7.411 12.895 1.00 0.00 H new ATOM 0 HH12 ARG B 164 84.599 9.124 12.478 1.00 0.00 H new ATOM 0 HH21 ARG B 164 88.050 9.509 12.072 1.00 0.00 H new ATOM 0 HH22 ARG B 164 86.472 10.302 12.016 1.00 0.00 H new ATOM 1541 N PRO B 165 85.034 5.494 7.856 1.00 0.00 N ATOM 1542 CA PRO B 165 84.329 5.773 6.580 1.00 0.00 C ATOM 1543 C PRO B 165 85.066 6.856 5.787 1.00 0.00 C ATOM 1544 O PRO B 165 85.629 7.775 6.348 1.00 0.00 O ATOM 1545 CB PRO B 165 82.959 6.270 7.031 1.00 0.00 C ATOM 1546 CG PRO B 165 83.178 6.814 8.407 1.00 0.00 C ATOM 1547 CD PRO B 165 84.315 6.034 9.016 1.00 0.00 C ATOM 0 HA PRO B 165 84.269 4.904 5.925 1.00 0.00 H new ATOM 0 HB2 PRO B 165 82.577 7.039 6.359 1.00 0.00 H new ATOM 0 HB3 PRO B 165 82.228 5.461 7.038 1.00 0.00 H new ATOM 0 HG2 PRO B 165 83.417 7.877 8.368 1.00 0.00 H new ATOM 0 HG3 PRO B 165 82.275 6.713 9.009 1.00 0.00 H new ATOM 0 HD2 PRO B 165 84.958 6.672 9.623 1.00 0.00 H new ATOM 0 HD3 PRO B 165 83.951 5.238 9.666 1.00 0.00 H new ATOM 1555 N LEU B 166 85.063 6.758 4.486 1.00 0.00 N ATOM 1556 CA LEU B 166 85.761 7.784 3.659 1.00 0.00 C ATOM 1557 C LEU B 166 84.954 9.085 3.637 1.00 0.00 C ATOM 1558 O LEU B 166 85.481 10.149 3.381 1.00 0.00 O ATOM 1559 CB LEU B 166 85.841 7.178 2.257 1.00 0.00 C ATOM 1560 CG LEU B 166 86.769 5.962 2.278 1.00 0.00 C ATOM 1561 CD1 LEU B 166 86.809 5.329 0.886 1.00 0.00 C ATOM 1562 CD2 LEU B 166 88.178 6.403 2.679 1.00 0.00 C ATOM 0 H LEU B 166 84.608 6.012 3.960 1.00 0.00 H new ATOM 0 HA LEU B 166 86.747 8.029 4.053 1.00 0.00 H new ATOM 0 HB2 LEU B 166 84.847 6.884 1.919 1.00 0.00 H new ATOM 0 HB3 LEU B 166 86.212 7.920 1.550 1.00 0.00 H new ATOM 0 HG LEU B 166 86.398 5.233 2.999 1.00 0.00 H new ATOM 0 HD11 LEU B 166 87.470 4.462 0.899 1.00 0.00 H new ATOM 0 HD12 LEU B 166 85.805 5.015 0.600 1.00 0.00 H new ATOM 0 HD13 LEU B 166 87.181 6.058 0.166 1.00 0.00 H new ATOM 0 HD21 LEU B 166 88.840 5.537 2.694 1.00 0.00 H new ATOM 0 HD22 LEU B 166 88.550 7.131 1.959 1.00 0.00 H new ATOM 0 HD23 LEU B 166 88.149 6.855 3.670 1.00 0.00 H new