USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 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= -0.962 USER MOD Set 1.2: B 143 CYS SG : rot 69:sc= 0.679 USER MOD Set 1.3: B 155 HIS : no HE2:sc= -0.455 K(o=-4,f=-5.3) USER MOD Set 1.4: B 161 HIS : no HE2:sc= -3.23! C(o=-4!,f=-10!) USER MOD Set 2.1: B 129 CYS SG : rot -158:sc= 0.67 USER MOD Set 2.2: B 132 CYS SG : rot 162:sc= 1.89 USER MOD Set 2.3: B 148 CYS SG : rot -61:sc= 0.977 USER MOD Set 2.4: B 151 CYS SG : rot 90:sc= 1.09 USER MOD Set 3.1: A 140 CYS SG : rot -173:sc= -0.179 USER MOD Set 3.2: A 143 CYS SG : rot 64:sc= 0.786 USER MOD Set 3.3: A 155 HIS : no HE2:sc= -2.58 K(o=-3.3,f=-7.8!) USER MOD Set 3.4: A 161 HIS : no HE2:sc= -1.37 K(o=-3.3,f=-9.5!) USER MOD Set 4.1: A 129 CYS SG : rot -158:sc= 0.0097 USER MOD Set 4.2: A 132 CYS SG : rot 157:sc= 1.09 USER MOD Set 4.3: A 148 CYS SG : rot -51:sc= 2.19 USER MOD Set 4.4: A 151 CYS SG : rot 75:sc= 1.88 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ -178:sc= 1.15 (180deg=1.14) USER MOD Single : A 135 SER OG : rot -73:sc= -0.0584 USER MOD Single : A 145 GLN : amide:sc= -0.546 K(o=-0.55,f=-2.2!) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.426 K(o=-0.43,f=-3.4!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 135 SER OG : rot -68:sc= -0.289 USER MOD Single : B 145 GLN : amide:sc= -0.0305 X(o=-0.03,f=-0.42) USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 156 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.014) USER MOD Single : B 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N ALA A 127 74.730 0.629 -10.249 1.00 0.00 N ATOM 137 CA ALA A 127 74.868 -0.101 -8.956 1.00 0.00 C ATOM 138 C ALA A 127 75.588 0.775 -7.927 1.00 0.00 C ATOM 139 O ALA A 127 76.731 0.541 -7.588 1.00 0.00 O ATOM 140 CB ALA A 127 75.704 -1.337 -9.287 1.00 0.00 C ATOM 0 HA ALA A 127 73.902 -0.365 -8.526 1.00 0.00 H new ATOM 0 HB1 ALA A 127 75.851 -1.929 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 127 75.186 -1.937 -10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 127 76.673 -1.027 -9.679 1.00 0.00 H new ATOM 146 N VAL A 128 74.925 1.781 -7.426 1.00 0.00 N ATOM 147 CA VAL A 128 75.569 2.674 -6.418 1.00 0.00 C ATOM 148 C VAL A 128 74.511 3.265 -5.484 1.00 0.00 C ATOM 149 O VAL A 128 73.335 3.269 -5.788 1.00 0.00 O ATOM 150 CB VAL A 128 76.249 3.776 -7.226 1.00 0.00 C ATOM 151 CG1 VAL A 128 77.538 3.230 -7.845 1.00 0.00 C ATOM 152 CG2 VAL A 128 75.309 4.256 -8.333 1.00 0.00 C ATOM 0 H VAL A 128 73.965 2.024 -7.670 1.00 0.00 H new ATOM 0 HA VAL A 128 76.282 2.137 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 128 76.488 4.613 -6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 128 78.025 4.015 -8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 128 78.207 2.893 -7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 128 77.300 2.392 -8.500 1.00 0.00 H new ATOM 0 HG21 VAL A 128 75.797 5.043 -8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 128 75.066 3.422 -8.991 1.00 0.00 H new ATOM 0 HG23 VAL A 128 74.393 4.646 -7.889 1.00 0.00 H new ATOM 162 N CYS A 129 74.926 3.751 -4.345 1.00 0.00 N ATOM 163 CA CYS A 129 73.952 4.338 -3.375 1.00 0.00 C ATOM 164 C CYS A 129 72.971 5.272 -4.085 1.00 0.00 C ATOM 165 O CYS A 129 73.243 5.780 -5.155 1.00 0.00 O ATOM 166 CB CYS A 129 74.806 5.121 -2.380 1.00 0.00 C ATOM 167 SG CYS A 129 73.778 5.648 -0.986 1.00 0.00 S ATOM 0 H CYS A 129 75.900 3.768 -4.042 1.00 0.00 H new ATOM 0 HA CYS A 129 73.352 3.568 -2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 129 75.629 4.501 -2.025 1.00 0.00 H new ATOM 0 HB3 CYS A 129 75.248 5.989 -2.868 1.00 0.00 H new ATOM 0 HG CYS A 129 74.340 6.658 -0.390 1.00 0.00 H new ATOM 172 N THR A 130 71.830 5.501 -3.495 1.00 0.00 N ATOM 173 CA THR A 130 70.830 6.401 -4.132 1.00 0.00 C ATOM 174 C THR A 130 71.086 7.851 -3.715 1.00 0.00 C ATOM 175 O THR A 130 70.712 8.781 -4.402 1.00 0.00 O ATOM 176 CB THR A 130 69.472 5.919 -3.616 1.00 0.00 C ATOM 177 OG1 THR A 130 68.440 6.689 -4.215 1.00 0.00 O ATOM 178 CG2 THR A 130 69.413 6.079 -2.096 1.00 0.00 C ATOM 0 H THR A 130 71.548 5.103 -2.599 1.00 0.00 H new ATOM 0 HA THR A 130 70.881 6.372 -5.220 1.00 0.00 H new ATOM 0 HB THR A 130 69.339 4.868 -3.873 1.00 0.00 H new ATOM 0 HG1 THR A 130 67.569 6.381 -3.887 1.00 0.00 H new ATOM 0 HG21 THR A 130 68.445 5.735 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 130 70.205 5.487 -1.637 1.00 0.00 H new ATOM 0 HG23 THR A 130 69.547 7.129 -1.835 1.00 0.00 H new ATOM 186 N ARG A 131 71.728 8.052 -2.595 1.00 0.00 N ATOM 187 CA ARG A 131 72.014 9.442 -2.139 1.00 0.00 C ATOM 188 C ARG A 131 73.444 9.827 -2.522 1.00 0.00 C ATOM 189 O ARG A 131 73.695 10.906 -3.023 1.00 0.00 O ATOM 190 CB ARG A 131 71.855 9.403 -0.618 1.00 0.00 C ATOM 191 CG ARG A 131 70.811 10.438 -0.189 1.00 0.00 C ATOM 192 CD ARG A 131 71.352 11.250 0.990 1.00 0.00 C ATOM 193 NE ARG A 131 70.262 11.225 2.006 1.00 0.00 N ATOM 194 CZ ARG A 131 70.383 11.911 3.111 1.00 0.00 C ATOM 195 NH1 ARG A 131 70.189 13.202 3.102 1.00 0.00 N ATOM 196 NH2 ARG A 131 70.698 11.306 4.223 1.00 0.00 N1+ ATOM 0 H ARG A 131 72.066 7.314 -1.977 1.00 0.00 H new ATOM 0 HA ARG A 131 71.350 10.176 -2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 131 71.548 8.407 -0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 131 72.810 9.612 -0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 131 70.576 11.100 -1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 131 69.884 9.939 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 131 72.269 10.812 1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 131 71.590 12.271 0.691 1.00 0.00 H new ATOM 0 HE ARG A 131 69.421 10.672 1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 131 69.943 13.675 2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 131 70.283 13.738 3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 131 70.850 10.297 4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 131 70.793 11.842 5.086 1.00 0.00 H new ATOM 210 N CYS A 132 74.384 8.949 -2.297 1.00 0.00 N ATOM 211 CA CYS A 132 75.797 9.259 -2.658 1.00 0.00 C ATOM 212 C CYS A 132 76.029 8.967 -4.142 1.00 0.00 C ATOM 213 O CYS A 132 76.903 9.531 -4.766 1.00 0.00 O ATOM 214 CB CYS A 132 76.644 8.331 -1.786 1.00 0.00 C ATOM 215 SG CYS A 132 76.139 8.500 -0.057 1.00 0.00 S ATOM 0 H CYS A 132 74.234 8.031 -1.879 1.00 0.00 H new ATOM 0 HA CYS A 132 76.049 10.307 -2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 132 76.523 7.298 -2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 132 77.700 8.578 -1.893 1.00 0.00 H new ATOM 0 HG CYS A 132 76.475 7.430 0.600 1.00 0.00 H new ATOM 220 N LYS A 133 75.243 8.088 -4.705 1.00 0.00 N ATOM 221 CA LYS A 133 75.395 7.748 -6.151 1.00 0.00 C ATOM 222 C LYS A 133 76.715 7.007 -6.406 1.00 0.00 C ATOM 223 O LYS A 133 77.106 6.791 -7.534 1.00 0.00 O ATOM 224 CB LYS A 133 75.321 9.105 -6.883 1.00 0.00 C ATOM 225 CG LYS A 133 76.692 9.547 -7.426 1.00 0.00 C ATOM 226 CD LYS A 133 76.847 9.074 -8.873 1.00 0.00 C ATOM 227 CE LYS A 133 78.326 8.821 -9.172 1.00 0.00 C ATOM 228 NZ LYS A 133 78.370 7.447 -9.745 1.00 0.00 N1+ ATOM 0 H LYS A 133 74.497 7.587 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 133 74.621 7.068 -6.508 1.00 0.00 H new ATOM 0 HB2 LYS A 133 74.611 9.033 -7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 133 74.940 9.864 -6.200 1.00 0.00 H new ATOM 0 HG2 LYS A 133 76.782 10.632 -7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 133 77.490 9.132 -6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 133 76.272 8.162 -9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 133 76.450 9.825 -9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 133 78.718 9.555 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 133 78.930 8.892 -8.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 79.357 7.186 -9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 77.965 6.774 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 77.819 7.421 -10.627 1.00 0.00 H new ATOM 242 N GLU A 134 77.401 6.606 -5.368 1.00 0.00 N ATOM 243 CA GLU A 134 78.685 5.872 -5.569 1.00 0.00 C ATOM 244 C GLU A 134 79.234 5.383 -4.230 1.00 0.00 C ATOM 245 O GLU A 134 78.673 5.637 -3.183 1.00 0.00 O ATOM 246 CB GLU A 134 79.636 6.891 -6.193 1.00 0.00 C ATOM 247 CG GLU A 134 80.085 7.889 -5.124 1.00 0.00 C ATOM 248 CD GLU A 134 80.580 9.171 -5.796 1.00 0.00 C ATOM 249 OE1 GLU A 134 79.750 9.915 -6.289 1.00 0.00 O ATOM 250 OE2 GLU A 134 81.782 9.385 -5.805 1.00 0.00 O1- ATOM 0 H GLU A 134 77.130 6.754 -4.396 1.00 0.00 H new ATOM 0 HA GLU A 134 78.557 4.993 -6.201 1.00 0.00 H new ATOM 0 HB2 GLU A 134 80.502 6.384 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 134 79.140 7.415 -7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 134 79.257 8.115 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 134 80.879 7.455 -4.517 1.00 0.00 H new ATOM 257 N SER A 135 80.334 4.681 -4.258 1.00 0.00 N ATOM 258 CA SER A 135 80.933 4.173 -2.991 1.00 0.00 C ATOM 259 C SER A 135 79.977 3.189 -2.310 1.00 0.00 C ATOM 260 O SER A 135 79.917 3.106 -1.099 1.00 0.00 O ATOM 261 CB SER A 135 81.135 5.414 -2.123 1.00 0.00 C ATOM 262 OG SER A 135 80.063 5.526 -1.199 1.00 0.00 O ATOM 0 H SER A 135 80.845 4.437 -5.106 1.00 0.00 H new ATOM 0 HA SER A 135 81.868 3.639 -3.161 1.00 0.00 H new ATOM 0 HB2 SER A 135 82.083 5.347 -1.590 1.00 0.00 H new ATOM 0 HB3 SER A 135 81.184 6.305 -2.749 1.00 0.00 H new ATOM 0 HG SER A 135 79.252 5.808 -1.671 1.00 0.00 H new ATOM 268 N ALA A 136 79.227 2.444 -3.075 1.00 0.00 N ATOM 269 CA ALA A 136 78.278 1.470 -2.463 1.00 0.00 C ATOM 270 C ALA A 136 78.305 0.145 -3.229 1.00 0.00 C ATOM 271 O ALA A 136 78.436 0.115 -4.436 1.00 0.00 O ATOM 272 CB ALA A 136 76.902 2.129 -2.584 1.00 0.00 C ATOM 0 H ALA A 136 79.230 2.467 -4.095 1.00 0.00 H new ATOM 0 HA ALA A 136 78.534 1.242 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 136 76.145 1.473 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 136 76.905 3.078 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 136 76.675 2.306 -3.635 1.00 0.00 H new ATOM 278 N ASP A 137 78.179 -0.952 -2.533 1.00 0.00 N ATOM 279 CA ASP A 137 78.193 -2.278 -3.215 1.00 0.00 C ATOM 280 C ASP A 137 77.090 -3.171 -2.642 1.00 0.00 C ATOM 281 O ASP A 137 77.161 -4.383 -2.708 1.00 0.00 O ATOM 282 CB ASP A 137 79.572 -2.867 -2.910 1.00 0.00 C ATOM 283 CG ASP A 137 79.908 -3.941 -3.947 1.00 0.00 C ATOM 284 OD1 ASP A 137 80.324 -3.578 -5.034 1.00 0.00 O ATOM 285 OD2 ASP A 137 79.742 -5.109 -3.636 1.00 0.00 O1- ATOM 0 H ASP A 137 78.067 -0.987 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 137 78.015 -2.196 -4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 137 80.327 -2.081 -2.927 1.00 0.00 H new ATOM 0 HB3 ASP A 137 79.582 -3.297 -1.909 1.00 0.00 H new ATOM 290 N PHE A 138 76.072 -2.582 -2.078 1.00 0.00 N ATOM 291 CA PHE A 138 74.964 -3.395 -1.497 1.00 0.00 C ATOM 292 C PHE A 138 73.636 -2.640 -1.608 1.00 0.00 C ATOM 293 O PHE A 138 73.597 -1.426 -1.572 1.00 0.00 O ATOM 294 CB PHE A 138 75.346 -3.588 -0.030 1.00 0.00 C ATOM 295 CG PHE A 138 76.192 -4.831 0.112 1.00 0.00 C ATOM 296 CD1 PHE A 138 77.582 -4.750 -0.033 1.00 0.00 C ATOM 297 CD2 PHE A 138 75.587 -6.061 0.390 1.00 0.00 C ATOM 298 CE1 PHE A 138 78.367 -5.903 0.100 1.00 0.00 C ATOM 299 CE2 PHE A 138 76.371 -7.213 0.522 1.00 0.00 C ATOM 300 CZ PHE A 138 77.761 -7.134 0.377 1.00 0.00 C ATOM 0 H PHE A 138 75.958 -1.572 -1.994 1.00 0.00 H new ATOM 0 HA PHE A 138 74.833 -4.345 -2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 138 75.895 -2.718 0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 138 74.448 -3.675 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 138 78.049 -3.800 -0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 138 74.515 -6.122 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 138 79.440 -5.842 -0.011 1.00 0.00 H new ATOM 0 HE2 PHE A 138 75.903 -8.163 0.736 1.00 0.00 H new ATOM 0 HZ PHE A 138 78.366 -8.023 0.479 1.00 0.00 H new ATOM 310 N TRP A 139 72.550 -3.349 -1.740 1.00 0.00 N ATOM 311 CA TRP A 139 71.226 -2.672 -1.849 1.00 0.00 C ATOM 312 C TRP A 139 70.170 -3.450 -1.058 1.00 0.00 C ATOM 313 O TRP A 139 70.159 -4.664 -1.046 1.00 0.00 O ATOM 314 CB TRP A 139 70.902 -2.672 -3.346 1.00 0.00 C ATOM 315 CG TRP A 139 69.698 -3.520 -3.611 1.00 0.00 C ATOM 316 CD1 TRP A 139 68.419 -3.163 -3.349 1.00 0.00 C ATOM 317 CD2 TRP A 139 69.638 -4.856 -4.193 1.00 0.00 C ATOM 318 NE1 TRP A 139 67.580 -4.196 -3.726 1.00 0.00 N ATOM 319 CE2 TRP A 139 68.283 -5.261 -4.253 1.00 0.00 C ATOM 320 CE3 TRP A 139 70.618 -5.747 -4.668 1.00 0.00 C ATOM 321 CZ2 TRP A 139 67.914 -6.505 -4.765 1.00 0.00 C ATOM 322 CZ3 TRP A 139 70.249 -6.999 -5.185 1.00 0.00 C ATOM 323 CH2 TRP A 139 68.900 -7.377 -5.234 1.00 0.00 C ATOM 0 H TRP A 139 72.521 -4.368 -1.777 1.00 0.00 H new ATOM 0 HA TRP A 139 71.240 -1.661 -1.441 1.00 0.00 H new ATOM 0 HB2 TRP A 139 70.721 -1.653 -3.687 1.00 0.00 H new ATOM 0 HB3 TRP A 139 71.754 -3.050 -3.911 1.00 0.00 H new ATOM 0 HD1 TRP A 139 68.105 -2.225 -2.916 1.00 0.00 H new ATOM 0 HE1 TRP A 139 66.565 -4.174 -3.627 1.00 0.00 H new ATOM 0 HE3 TRP A 139 71.660 -5.466 -4.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 66.873 -6.792 -4.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 71.009 -7.675 -5.547 1.00 0.00 H new ATOM 0 HH2 TRP A 139 68.623 -8.341 -5.634 1.00 0.00 H new ATOM 334 N CYS A 140 69.284 -2.757 -0.397 1.00 0.00 N ATOM 335 CA CYS A 140 68.229 -3.455 0.393 1.00 0.00 C ATOM 336 C CYS A 140 67.143 -4.000 -0.537 1.00 0.00 C ATOM 337 O CYS A 140 66.578 -3.281 -1.337 1.00 0.00 O ATOM 338 CB CYS A 140 67.652 -2.381 1.318 1.00 0.00 C ATOM 339 SG CYS A 140 68.290 -2.623 2.994 1.00 0.00 S ATOM 0 H CYS A 140 69.244 -1.738 -0.369 1.00 0.00 H new ATOM 0 HA CYS A 140 68.625 -4.304 0.950 1.00 0.00 H new ATOM 0 HB2 CYS A 140 67.922 -1.389 0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 140 66.563 -2.434 1.320 1.00 0.00 H new ATOM 0 HG CYS A 140 67.688 -1.808 3.809 1.00 0.00 H new ATOM 344 N PHE A 141 66.845 -5.267 -0.438 1.00 0.00 N ATOM 345 CA PHE A 141 65.796 -5.857 -1.317 1.00 0.00 C ATOM 346 C PHE A 141 64.419 -5.297 -0.950 1.00 0.00 C ATOM 347 O PHE A 141 63.636 -4.938 -1.806 1.00 0.00 O ATOM 348 CB PHE A 141 65.849 -7.361 -1.046 1.00 0.00 C ATOM 349 CG PHE A 141 64.581 -8.007 -1.548 1.00 0.00 C ATOM 350 CD1 PHE A 141 64.424 -8.272 -2.914 1.00 0.00 C ATOM 351 CD2 PHE A 141 63.562 -8.342 -0.648 1.00 0.00 C ATOM 352 CE1 PHE A 141 63.246 -8.871 -3.379 1.00 0.00 C ATOM 353 CE2 PHE A 141 62.386 -8.940 -1.114 1.00 0.00 C ATOM 354 CZ PHE A 141 62.228 -9.205 -2.480 1.00 0.00 C ATOM 0 H PHE A 141 67.283 -5.919 0.213 1.00 0.00 H new ATOM 0 HA PHE A 141 65.964 -5.625 -2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 141 66.715 -7.800 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 141 65.966 -7.545 0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 141 65.210 -8.015 -3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 141 63.684 -8.139 0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 141 63.124 -9.075 -4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 141 61.600 -9.197 -0.420 1.00 0.00 H new ATOM 0 HZ PHE A 141 61.320 -9.667 -2.839 1.00 0.00 H new ATOM 364 N GLU A 142 64.119 -5.219 0.318 1.00 0.00 N ATOM 365 CA GLU A 142 62.792 -4.683 0.739 1.00 0.00 C ATOM 366 C GLU A 142 62.682 -3.199 0.379 1.00 0.00 C ATOM 367 O GLU A 142 61.736 -2.772 -0.251 1.00 0.00 O ATOM 368 CB GLU A 142 62.752 -4.872 2.255 1.00 0.00 C ATOM 369 CG GLU A 142 61.526 -5.708 2.632 1.00 0.00 C ATOM 370 CD GLU A 142 61.650 -6.168 4.086 1.00 0.00 C ATOM 371 OE1 GLU A 142 62.767 -6.225 4.575 1.00 0.00 O1- ATOM 372 OE2 GLU A 142 60.628 -6.455 4.686 1.00 0.00 O ATOM 0 H GLU A 142 64.734 -5.503 1.080 1.00 0.00 H new ATOM 0 HA GLU A 142 61.965 -5.191 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 142 63.662 -5.367 2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 142 62.712 -3.903 2.752 1.00 0.00 H new ATOM 0 HG2 GLU A 142 60.618 -5.120 2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 142 61.444 -6.572 1.972 1.00 0.00 H new ATOM 379 N CYS A 143 63.641 -2.410 0.778 1.00 0.00 N ATOM 380 CA CYS A 143 63.590 -0.954 0.461 1.00 0.00 C ATOM 381 C CYS A 143 63.861 -0.723 -1.028 1.00 0.00 C ATOM 382 O CYS A 143 63.504 0.297 -1.583 1.00 0.00 O ATOM 383 CB CYS A 143 64.696 -0.325 1.309 1.00 0.00 C ATOM 384 SG CYS A 143 64.457 -0.781 3.044 1.00 0.00 S ATOM 0 H CYS A 143 64.458 -2.710 1.310 1.00 0.00 H new ATOM 0 HA CYS A 143 62.613 -0.521 0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 143 65.672 -0.665 0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 143 64.680 0.760 1.201 1.00 0.00 H new ATOM 0 HG CYS A 143 64.589 -2.067 3.177 1.00 0.00 H new ATOM 389 N GLU A 144 64.490 -1.663 -1.680 1.00 0.00 N ATOM 390 CA GLU A 144 64.782 -1.493 -3.132 1.00 0.00 C ATOM 391 C GLU A 144 65.644 -0.247 -3.352 1.00 0.00 C ATOM 392 O GLU A 144 65.461 0.488 -4.302 1.00 0.00 O ATOM 393 CB GLU A 144 63.414 -1.325 -3.795 1.00 0.00 C ATOM 394 CG GLU A 144 62.411 -2.280 -3.145 1.00 0.00 C ATOM 395 CD GLU A 144 61.219 -2.486 -4.082 1.00 0.00 C ATOM 396 OE1 GLU A 144 60.413 -1.577 -4.191 1.00 0.00 O ATOM 397 OE2 GLU A 144 61.133 -3.549 -4.674 1.00 0.00 O1- ATOM 0 H GLU A 144 64.814 -2.540 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 144 65.332 -2.338 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 144 63.072 -0.295 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 144 63.488 -1.530 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 144 62.889 -3.236 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 144 62.072 -1.874 -2.192 1.00 0.00 H new ATOM 404 N GLN A 145 66.583 -0.005 -2.478 1.00 0.00 N ATOM 405 CA GLN A 145 67.459 1.192 -2.634 1.00 0.00 C ATOM 406 C GLN A 145 68.923 0.804 -2.413 1.00 0.00 C ATOM 407 O GLN A 145 69.223 -0.216 -1.825 1.00 0.00 O ATOM 408 CB GLN A 145 66.991 2.170 -1.553 1.00 0.00 C ATOM 409 CG GLN A 145 67.308 1.595 -0.170 1.00 0.00 C ATOM 410 CD GLN A 145 66.991 2.641 0.902 1.00 0.00 C ATOM 411 OE1 GLN A 145 67.667 2.719 1.909 1.00 0.00 O ATOM 412 NE2 GLN A 145 65.984 3.451 0.728 1.00 0.00 N ATOM 0 H GLN A 145 66.782 -0.584 -1.662 1.00 0.00 H new ATOM 0 HA GLN A 145 67.393 1.628 -3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 145 67.486 3.133 -1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 145 65.920 2.347 -1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 145 66.722 0.692 0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 145 68.358 1.309 -0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 145 65.417 3.385 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 145 65.764 4.150 1.437 1.00 0.00 H new ATOM 421 N LEU A 146 69.838 1.611 -2.875 1.00 0.00 N ATOM 422 CA LEU A 146 71.281 1.285 -2.687 1.00 0.00 C ATOM 423 C LEU A 146 71.842 2.057 -1.490 1.00 0.00 C ATOM 424 O LEU A 146 71.411 3.152 -1.187 1.00 0.00 O ATOM 425 CB LEU A 146 71.962 1.731 -3.982 1.00 0.00 C ATOM 426 CG LEU A 146 71.635 0.735 -5.096 1.00 0.00 C ATOM 427 CD1 LEU A 146 71.292 1.498 -6.377 1.00 0.00 C ATOM 428 CD2 LEU A 146 72.847 -0.165 -5.347 1.00 0.00 C ATOM 0 H LEU A 146 69.650 2.481 -3.374 1.00 0.00 H new ATOM 0 HA LEU A 146 71.444 0.226 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 146 71.622 2.729 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 146 73.041 1.790 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 146 70.783 0.123 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 146 71.059 0.789 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 146 70.429 2.140 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 146 72.143 2.110 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 146 72.615 -0.875 -6.141 1.00 0.00 H new ATOM 0 HD22 LEU A 146 73.699 0.446 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 146 73.092 -0.708 -4.434 1.00 0.00 H new ATOM 440 N LEU A 147 72.802 1.495 -0.807 1.00 0.00 N ATOM 441 CA LEU A 147 73.387 2.197 0.371 1.00 0.00 C ATOM 442 C LEU A 147 74.912 2.062 0.362 1.00 0.00 C ATOM 443 O LEU A 147 75.448 0.989 0.161 1.00 0.00 O ATOM 444 CB LEU A 147 72.795 1.488 1.590 1.00 0.00 C ATOM 445 CG LEU A 147 71.301 1.803 1.690 1.00 0.00 C ATOM 446 CD1 LEU A 147 70.628 0.794 2.623 1.00 0.00 C ATOM 447 CD2 LEU A 147 71.113 3.217 2.245 1.00 0.00 C ATOM 0 H LEU A 147 73.206 0.581 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 147 73.161 3.263 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 147 72.945 0.412 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 147 73.307 1.812 2.496 1.00 0.00 H new ATOM 0 HG LEU A 147 70.849 1.739 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 147 69.564 1.018 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 147 70.761 -0.213 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 147 71.079 0.857 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 147 70.049 3.441 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 147 71.565 3.282 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 147 71.592 3.936 1.580 1.00 0.00 H new ATOM 459 N CYS A 148 75.616 3.139 0.578 1.00 0.00 N ATOM 460 CA CYS A 148 77.106 3.068 0.582 1.00 0.00 C ATOM 461 C CYS A 148 77.602 2.519 1.922 1.00 0.00 C ATOM 462 O CYS A 148 76.847 2.374 2.862 1.00 0.00 O ATOM 463 CB CYS A 148 77.576 4.509 0.383 1.00 0.00 C ATOM 464 SG CYS A 148 77.014 5.526 1.770 1.00 0.00 S ATOM 0 H CYS A 148 75.225 4.065 0.752 1.00 0.00 H new ATOM 0 HA CYS A 148 77.490 2.407 -0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 148 78.663 4.541 0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 148 77.183 4.904 -0.554 1.00 0.00 H new ATOM 0 HG CYS A 148 75.740 5.344 1.953 1.00 0.00 H new ATOM 469 N ALA A 149 78.867 2.211 2.018 1.00 0.00 N ATOM 470 CA ALA A 149 79.409 1.670 3.298 1.00 0.00 C ATOM 471 C ALA A 149 78.974 2.549 4.474 1.00 0.00 C ATOM 472 O ALA A 149 78.732 2.068 5.564 1.00 0.00 O ATOM 473 CB ALA A 149 80.928 1.711 3.132 1.00 0.00 C ATOM 0 H ALA A 149 79.549 2.310 1.266 1.00 0.00 H new ATOM 0 HA ALA A 149 79.047 0.663 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 149 81.403 1.328 4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 149 81.218 1.096 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 149 81.248 2.739 2.962 1.00 0.00 H new ATOM 479 N LYS A 150 78.873 3.833 4.262 1.00 0.00 N ATOM 480 CA LYS A 150 78.454 4.741 5.370 1.00 0.00 C ATOM 481 C LYS A 150 76.975 4.527 5.705 1.00 0.00 C ATOM 482 O LYS A 150 76.551 4.708 6.830 1.00 0.00 O ATOM 483 CB LYS A 150 78.683 6.155 4.832 1.00 0.00 C ATOM 484 CG LYS A 150 78.896 7.117 6.002 1.00 0.00 C ATOM 485 CD LYS A 150 77.557 7.745 6.395 1.00 0.00 C ATOM 486 CE LYS A 150 77.316 8.998 5.551 1.00 0.00 C ATOM 487 NZ LYS A 150 77.323 10.124 6.528 1.00 0.00 N1+ ATOM 0 H LYS A 150 79.062 4.293 3.371 1.00 0.00 H new ATOM 0 HA LYS A 150 79.015 4.557 6.286 1.00 0.00 H new ATOM 0 HB2 LYS A 150 79.551 6.169 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 150 77.826 6.473 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 150 79.324 6.585 6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 150 79.607 7.895 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 150 76.749 7.030 6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 150 77.560 8.002 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 150 78.094 9.123 4.798 1.00 0.00 H new ATOM 0 HE3 LYS A 150 76.365 8.941 5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 77.164 11.021 6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 76.568 9.981 7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 78.243 10.157 7.013 1.00 0.00 H new ATOM 501 N CYS A 151 76.186 4.144 4.739 1.00 0.00 N ATOM 502 CA CYS A 151 74.735 3.920 5.004 1.00 0.00 C ATOM 503 C CYS A 151 74.470 2.437 5.276 1.00 0.00 C ATOM 504 O CYS A 151 73.804 2.079 6.227 1.00 0.00 O ATOM 505 CB CYS A 151 74.027 4.365 3.725 1.00 0.00 C ATOM 506 SG CYS A 151 74.260 6.145 3.494 1.00 0.00 S ATOM 0 H CYS A 151 76.482 3.976 3.778 1.00 0.00 H new ATOM 0 HA CYS A 151 74.384 4.470 5.877 1.00 0.00 H new ATOM 0 HB2 CYS A 151 74.425 3.821 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 151 72.964 4.131 3.785 1.00 0.00 H new ATOM 0 HG CYS A 151 75.474 6.375 3.090 1.00 0.00 H new ATOM 511 N PHE A 152 74.988 1.572 4.447 1.00 0.00 N ATOM 512 CA PHE A 152 74.767 0.113 4.659 1.00 0.00 C ATOM 513 C PHE A 152 75.096 -0.264 6.105 1.00 0.00 C ATOM 514 O PHE A 152 74.280 -0.821 6.813 1.00 0.00 O ATOM 515 CB PHE A 152 75.729 -0.574 3.691 1.00 0.00 C ATOM 516 CG PHE A 152 75.689 -2.069 3.912 1.00 0.00 C ATOM 517 CD1 PHE A 152 74.459 -2.720 4.065 1.00 0.00 C ATOM 518 CD2 PHE A 152 76.880 -2.801 3.963 1.00 0.00 C ATOM 519 CE1 PHE A 152 74.422 -4.106 4.268 1.00 0.00 C ATOM 520 CE2 PHE A 152 76.844 -4.185 4.167 1.00 0.00 C ATOM 521 CZ PHE A 152 75.615 -4.838 4.319 1.00 0.00 C ATOM 0 H PHE A 152 75.554 1.812 3.633 1.00 0.00 H new ATOM 0 HA PHE A 152 73.732 -0.182 4.483 1.00 0.00 H new ATOM 0 HB2 PHE A 152 75.454 -0.341 2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 152 76.742 -0.201 3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 152 73.540 -2.155 4.027 1.00 0.00 H new ATOM 0 HD2 PHE A 152 77.828 -2.298 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 152 73.474 -4.610 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 152 77.764 -4.749 4.207 1.00 0.00 H new ATOM 0 HZ PHE A 152 75.587 -5.906 4.476 1.00 0.00 H new ATOM 531 N GLU A 153 76.284 0.041 6.550 1.00 0.00 N ATOM 532 CA GLU A 153 76.663 -0.297 7.952 1.00 0.00 C ATOM 533 C GLU A 153 75.639 0.290 8.926 1.00 0.00 C ATOM 534 O GLU A 153 75.179 -0.374 9.833 1.00 0.00 O ATOM 535 CB GLU A 153 78.032 0.350 8.158 1.00 0.00 C ATOM 536 CG GLU A 153 78.297 0.516 9.656 1.00 0.00 C ATOM 537 CD GLU A 153 79.768 0.214 9.949 1.00 0.00 C ATOM 538 OE1 GLU A 153 80.170 -0.922 9.756 1.00 0.00 O1- ATOM 539 OE2 GLU A 153 80.468 1.125 10.362 1.00 0.00 O ATOM 0 H GLU A 153 77.008 0.509 6.005 1.00 0.00 H new ATOM 0 HA GLU A 153 76.692 -1.372 8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 153 78.809 -0.266 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 153 78.066 1.320 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 153 78.054 1.531 9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 153 77.656 -0.156 10.227 1.00 0.00 H new ATOM 546 N ALA A 154 75.276 1.531 8.744 1.00 0.00 N ATOM 547 CA ALA A 154 74.280 2.159 9.658 1.00 0.00 C ATOM 548 C ALA A 154 72.979 1.352 9.647 1.00 0.00 C ATOM 549 O ALA A 154 72.380 1.107 10.675 1.00 0.00 O ATOM 550 CB ALA A 154 74.049 3.560 9.091 1.00 0.00 C ATOM 0 H ALA A 154 75.626 2.137 8.002 1.00 0.00 H new ATOM 0 HA ALA A 154 74.627 2.192 10.691 1.00 0.00 H new ATOM 0 HB1 ALA A 154 73.325 4.089 9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 154 74.990 4.109 9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 154 73.667 3.482 8.073 1.00 0.00 H new ATOM 556 N HIS A 155 72.539 0.932 8.491 1.00 0.00 N ATOM 557 CA HIS A 155 71.280 0.137 8.419 1.00 0.00 C ATOM 558 C HIS A 155 71.396 -1.105 9.305 1.00 0.00 C ATOM 559 O HIS A 155 70.632 -1.293 10.231 1.00 0.00 O ATOM 560 CB HIS A 155 71.146 -0.264 6.950 1.00 0.00 C ATOM 561 CG HIS A 155 69.695 -0.467 6.615 1.00 0.00 C ATOM 562 ND1 HIS A 155 68.813 0.591 6.474 1.00 0.00 N ATOM 563 CD2 HIS A 155 68.957 -1.603 6.390 1.00 0.00 C ATOM 564 CE1 HIS A 155 67.605 0.076 6.177 1.00 0.00 C ATOM 565 NE2 HIS A 155 67.637 -1.258 6.115 1.00 0.00 N ATOM 0 H HIS A 155 72.996 1.105 7.596 1.00 0.00 H new ATOM 0 HA HIS A 155 70.413 0.700 8.766 1.00 0.00 H new ATOM 0 HB2 HIS A 155 71.573 0.509 6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 155 71.706 -1.180 6.760 1.00 0.00 H new ATOM 0 HD1 HIS A 155 69.038 1.581 6.577 1.00 0.00 H new ATOM 0 HD2 HIS A 155 69.342 -2.611 6.422 1.00 0.00 H new ATOM 0 HE1 HIS A 155 66.718 0.669 6.009 1.00 0.00 H new ATOM 573 N GLN A 156 72.350 -1.951 9.031 1.00 0.00 N ATOM 574 CA GLN A 156 72.520 -3.178 9.860 1.00 0.00 C ATOM 575 C GLN A 156 72.829 -2.794 11.310 1.00 0.00 C ATOM 576 O GLN A 156 72.632 -3.569 12.225 1.00 0.00 O ATOM 577 CB GLN A 156 73.707 -3.915 9.239 1.00 0.00 C ATOM 578 CG GLN A 156 73.292 -4.510 7.892 1.00 0.00 C ATOM 579 CD GLN A 156 73.048 -6.013 8.047 1.00 0.00 C ATOM 580 OE1 GLN A 156 73.472 -6.613 9.016 1.00 0.00 O ATOM 581 NE2 GLN A 156 72.378 -6.651 7.126 1.00 0.00 N ATOM 0 H GLN A 156 73.020 -1.846 8.269 1.00 0.00 H new ATOM 0 HA GLN A 156 71.621 -3.794 9.876 1.00 0.00 H new ATOM 0 HB2 GLN A 156 74.543 -3.229 9.103 1.00 0.00 H new ATOM 0 HB3 GLN A 156 74.048 -4.705 9.908 1.00 0.00 H new ATOM 0 HG2 GLN A 156 72.388 -4.020 7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 156 74.070 -4.332 7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 156 72.022 -6.148 6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 156 72.210 -7.653 7.219 1.00 0.00 H new ATOM 590 N TRP A 157 73.315 -1.602 11.525 1.00 0.00 N ATOM 591 CA TRP A 157 73.640 -1.166 12.913 1.00 0.00 C ATOM 592 C TRP A 157 72.379 -0.660 13.622 1.00 0.00 C ATOM 593 O TRP A 157 72.124 -0.988 14.763 1.00 0.00 O ATOM 594 CB TRP A 157 74.651 -0.032 12.742 1.00 0.00 C ATOM 595 CG TRP A 157 75.130 0.417 14.084 1.00 0.00 C ATOM 596 CD1 TRP A 157 74.916 -0.241 15.246 1.00 0.00 C ATOM 597 CD2 TRP A 157 75.899 1.608 14.424 1.00 0.00 C ATOM 598 NE1 TRP A 157 75.504 0.469 16.277 1.00 0.00 N ATOM 599 CE2 TRP A 157 76.123 1.617 15.820 1.00 0.00 C ATOM 600 CE3 TRP A 157 76.418 2.670 13.663 1.00 0.00 C ATOM 601 CZ2 TRP A 157 76.837 2.642 16.441 1.00 0.00 C ATOM 602 CZ3 TRP A 157 77.137 3.705 14.283 1.00 0.00 C ATOM 603 CH2 TRP A 157 77.346 3.691 15.669 1.00 0.00 C ATOM 0 H TRP A 157 73.501 -0.910 10.799 1.00 0.00 H new ATOM 0 HA TRP A 157 74.037 -1.980 13.519 1.00 0.00 H new ATOM 0 HB2 TRP A 157 75.493 -0.370 12.138 1.00 0.00 H new ATOM 0 HB3 TRP A 157 74.192 0.802 12.211 1.00 0.00 H new ATOM 0 HD1 TRP A 157 74.374 -1.169 15.352 1.00 0.00 H new ATOM 0 HE1 TRP A 157 75.483 0.181 17.255 1.00 0.00 H new ATOM 0 HE3 TRP A 157 76.263 2.690 12.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 76.995 2.626 17.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 77.531 4.516 13.689 1.00 0.00 H new ATOM 0 HH2 TRP A 157 77.900 4.490 16.140 1.00 0.00 H new ATOM 614 N PHE A 158 71.588 0.135 12.954 1.00 0.00 N ATOM 615 CA PHE A 158 70.346 0.658 13.592 1.00 0.00 C ATOM 616 C PHE A 158 69.259 -0.419 13.593 1.00 0.00 C ATOM 617 O PHE A 158 68.355 -0.401 14.405 1.00 0.00 O ATOM 618 CB PHE A 158 69.924 1.845 12.726 1.00 0.00 C ATOM 619 CG PHE A 158 70.416 3.127 13.355 1.00 0.00 C ATOM 620 CD1 PHE A 158 71.689 3.180 13.933 1.00 0.00 C ATOM 621 CD2 PHE A 158 69.596 4.262 13.361 1.00 0.00 C ATOM 622 CE1 PHE A 158 72.146 4.369 14.515 1.00 0.00 C ATOM 623 CE2 PHE A 158 70.052 5.451 13.944 1.00 0.00 C ATOM 624 CZ PHE A 158 71.326 5.504 14.522 1.00 0.00 C ATOM 0 H PHE A 158 71.748 0.445 11.995 1.00 0.00 H new ATOM 0 HA PHE A 158 70.506 0.949 14.630 1.00 0.00 H new ATOM 0 HB2 PHE A 158 70.334 1.740 11.721 1.00 0.00 H new ATOM 0 HB3 PHE A 158 68.839 1.869 12.627 1.00 0.00 H new ATOM 0 HD1 PHE A 158 72.320 2.303 13.930 1.00 0.00 H new ATOM 0 HD2 PHE A 158 68.613 4.221 12.916 1.00 0.00 H new ATOM 0 HE1 PHE A 158 73.130 4.410 14.958 1.00 0.00 H new ATOM 0 HE2 PHE A 158 69.421 6.327 13.948 1.00 0.00 H new ATOM 0 HZ PHE A 158 71.676 6.420 14.973 1.00 0.00 H new ATOM 634 N LEU A 159 69.337 -1.356 12.688 1.00 0.00 N ATOM 635 CA LEU A 159 68.307 -2.433 12.637 1.00 0.00 C ATOM 636 C LEU A 159 68.789 -3.587 11.755 1.00 0.00 C ATOM 637 O LEU A 159 69.840 -3.521 11.148 1.00 0.00 O ATOM 638 CB LEU A 159 67.063 -1.772 12.034 1.00 0.00 C ATOM 639 CG LEU A 159 67.418 -1.093 10.706 1.00 0.00 C ATOM 640 CD1 LEU A 159 67.475 -2.139 9.591 1.00 0.00 C ATOM 641 CD2 LEU A 159 66.350 -0.051 10.368 1.00 0.00 C ATOM 0 H LEU A 159 70.070 -1.423 11.981 1.00 0.00 H new ATOM 0 HA LEU A 159 68.103 -2.854 13.622 1.00 0.00 H new ATOM 0 HB2 LEU A 159 66.286 -2.520 11.873 1.00 0.00 H new ATOM 0 HB3 LEU A 159 66.658 -1.037 12.730 1.00 0.00 H new ATOM 0 HG LEU A 159 68.390 -0.608 10.797 1.00 0.00 H new ATOM 0 HD11 LEU A 159 67.728 -1.653 8.649 1.00 0.00 H new ATOM 0 HD12 LEU A 159 68.234 -2.884 9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 159 66.504 -2.626 9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 159 66.600 0.433 9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 159 65.380 -0.540 10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 159 66.308 0.697 11.160 1.00 0.00 H new ATOM 653 N LYS A 160 68.029 -4.645 11.679 1.00 0.00 N ATOM 654 CA LYS A 160 68.442 -5.803 10.836 1.00 0.00 C ATOM 655 C LYS A 160 67.582 -5.869 9.573 1.00 0.00 C ATOM 656 O LYS A 160 66.381 -6.040 9.635 1.00 0.00 O ATOM 657 CB LYS A 160 68.206 -7.035 11.711 1.00 0.00 C ATOM 658 CG LYS A 160 68.954 -6.871 13.036 1.00 0.00 C ATOM 659 CD LYS A 160 67.992 -7.108 14.202 1.00 0.00 C ATOM 660 CE LYS A 160 68.128 -5.969 15.214 1.00 0.00 C ATOM 661 NZ LYS A 160 67.516 -6.495 16.466 1.00 0.00 N1+ ATOM 0 H LYS A 160 67.139 -4.758 12.165 1.00 0.00 H new ATOM 0 HA LYS A 160 69.480 -5.728 10.510 1.00 0.00 H new ATOM 0 HB2 LYS A 160 67.140 -7.163 11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 160 68.550 -7.932 11.195 1.00 0.00 H new ATOM 0 HG2 LYS A 160 69.783 -7.576 13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 160 69.382 -5.871 13.102 1.00 0.00 H new ATOM 0 HD2 LYS A 160 66.967 -7.163 13.836 1.00 0.00 H new ATOM 0 HD3 LYS A 160 68.212 -8.062 14.681 1.00 0.00 H new ATOM 0 HE2 LYS A 160 69.173 -5.700 15.368 1.00 0.00 H new ATOM 0 HE3 LYS A 160 67.615 -5.071 14.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 67.570 -5.770 17.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 66.520 -6.737 16.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 68.030 -7.346 16.773 1.00 0.00 H new ATOM 675 N HIS A 161 68.188 -5.735 8.425 1.00 0.00 N ATOM 676 CA HIS A 161 67.405 -5.789 7.158 1.00 0.00 C ATOM 677 C HIS A 161 68.015 -6.815 6.200 1.00 0.00 C ATOM 678 O HIS A 161 69.208 -7.049 6.203 1.00 0.00 O ATOM 679 CB HIS A 161 67.505 -4.382 6.570 1.00 0.00 C ATOM 680 CG HIS A 161 66.236 -4.055 5.831 1.00 0.00 C ATOM 681 ND1 HIS A 161 65.186 -3.378 6.431 1.00 0.00 N ATOM 682 CD2 HIS A 161 65.836 -4.304 4.542 1.00 0.00 C ATOM 683 CE1 HIS A 161 64.212 -3.245 5.510 1.00 0.00 C ATOM 684 NE2 HIS A 161 64.557 -3.791 4.342 1.00 0.00 N ATOM 0 H HIS A 161 69.191 -5.591 8.310 1.00 0.00 H new ATOM 0 HA HIS A 161 66.371 -6.089 7.326 1.00 0.00 H new ATOM 0 HB2 HIS A 161 67.673 -3.655 7.365 1.00 0.00 H new ATOM 0 HB3 HIS A 161 68.358 -4.318 5.895 1.00 0.00 H new ATOM 0 HD1 HIS A 161 65.156 -3.042 7.394 1.00 0.00 H new ATOM 0 HD2 HIS A 161 66.424 -4.819 3.797 1.00 0.00 H new ATOM 0 HE1 HIS A 161 63.267 -2.756 5.694 1.00 0.00 H new ATOM 692 N GLU A 162 67.207 -7.430 5.381 1.00 0.00 N ATOM 693 CA GLU A 162 67.740 -8.441 4.422 1.00 0.00 C ATOM 694 C GLU A 162 68.119 -7.765 3.101 1.00 0.00 C ATOM 695 O GLU A 162 67.270 -7.430 2.298 1.00 0.00 O ATOM 696 CB GLU A 162 66.594 -9.429 4.208 1.00 0.00 C ATOM 697 CG GLU A 162 66.352 -10.216 5.498 1.00 0.00 C ATOM 698 CD GLU A 162 65.094 -11.073 5.343 1.00 0.00 C ATOM 699 OE1 GLU A 162 64.969 -11.727 4.320 1.00 0.00 O ATOM 700 OE2 GLU A 162 64.277 -11.061 6.249 1.00 0.00 O1- ATOM 0 H GLU A 162 66.200 -7.277 5.334 1.00 0.00 H new ATOM 0 HA GLU A 162 68.637 -8.934 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 162 65.688 -8.895 3.920 1.00 0.00 H new ATOM 0 HB3 GLU A 162 66.835 -10.111 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 162 67.212 -10.849 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 162 66.238 -9.531 6.338 1.00 0.00 H new ATOM 707 N ALA A 163 69.388 -7.560 2.870 1.00 0.00 N ATOM 708 CA ALA A 163 69.818 -6.905 1.601 1.00 0.00 C ATOM 709 C ALA A 163 70.717 -7.848 0.797 1.00 0.00 C ATOM 710 O ALA A 163 71.221 -8.827 1.308 1.00 0.00 O ATOM 711 CB ALA A 163 70.597 -5.664 2.039 1.00 0.00 C ATOM 0 H ALA A 163 70.144 -7.817 3.504 1.00 0.00 H new ATOM 0 HA ALA A 163 68.973 -6.650 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 163 70.948 -5.126 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 163 69.947 -5.015 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 163 71.451 -5.966 2.645 1.00 0.00 H new ATOM 717 N ARG A 164 70.921 -7.559 -0.459 1.00 0.00 N ATOM 718 CA ARG A 164 71.787 -8.440 -1.295 1.00 0.00 C ATOM 719 C ARG A 164 72.982 -7.645 -1.831 1.00 0.00 C ATOM 720 O ARG A 164 72.902 -6.445 -2.003 1.00 0.00 O ATOM 721 CB ARG A 164 70.891 -8.904 -2.443 1.00 0.00 C ATOM 722 CG ARG A 164 69.665 -9.625 -1.878 1.00 0.00 C ATOM 723 CD ARG A 164 69.960 -11.122 -1.760 1.00 0.00 C ATOM 724 NE ARG A 164 68.634 -11.784 -1.913 1.00 0.00 N ATOM 725 CZ ARG A 164 68.558 -12.983 -2.423 1.00 0.00 C ATOM 726 NH1 ARG A 164 69.134 -13.245 -3.563 1.00 0.00 N1+ ATOM 727 NH2 ARG A 164 67.903 -13.920 -1.792 1.00 0.00 N ATOM 0 H ARG A 164 70.526 -6.752 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 164 72.191 -9.281 -0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 164 70.578 -8.049 -3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 164 71.445 -9.571 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 164 69.408 -9.216 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 164 68.804 -9.464 -2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 164 70.657 -11.450 -2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 164 70.413 -11.361 -0.798 1.00 0.00 H new ATOM 0 HE ARG A 164 67.786 -11.300 -1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 164 69.644 -12.513 -4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 164 69.074 -14.182 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 164 67.451 -13.715 -0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 164 67.843 -14.857 -2.190 1.00 0.00 H new ATOM 741 N PRO A 165 74.055 -8.347 -2.074 1.00 0.00 N ATOM 742 CA PRO A 165 75.286 -7.702 -2.595 1.00 0.00 C ATOM 743 C PRO A 165 75.103 -7.305 -4.063 1.00 0.00 C ATOM 744 O PRO A 165 74.440 -7.985 -4.822 1.00 0.00 O ATOM 745 CB PRO A 165 76.346 -8.788 -2.455 1.00 0.00 C ATOM 746 CG PRO A 165 75.584 -10.076 -2.473 1.00 0.00 C ATOM 747 CD PRO A 165 74.223 -9.793 -1.890 1.00 0.00 C ATOM 0 HA PRO A 165 75.547 -6.787 -2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 165 77.067 -8.744 -3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 165 76.908 -8.674 -1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 165 75.496 -10.457 -3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 165 76.102 -10.838 -1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 165 73.443 -10.355 -2.404 1.00 0.00 H new ATOM 0 HD3 PRO A 165 74.174 -10.070 -0.837 1.00 0.00 H new ATOM 755 N LEU A 166 75.689 -6.211 -4.468 1.00 0.00 N ATOM 756 CA LEU A 166 75.553 -5.774 -5.888 1.00 0.00 C ATOM 757 C LEU A 166 76.372 -6.689 -6.802 1.00 0.00 C ATOM 758 O LEU A 166 76.129 -6.775 -7.990 1.00 0.00 O ATOM 759 CB LEU A 166 76.104 -4.349 -5.919 1.00 0.00 C ATOM 760 CG LEU A 166 75.149 -3.416 -5.172 1.00 0.00 C ATOM 761 CD1 LEU A 166 75.674 -1.981 -5.246 1.00 0.00 C ATOM 762 CD2 LEU A 166 73.762 -3.486 -5.815 1.00 0.00 C ATOM 0 H LEU A 166 76.255 -5.601 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 166 74.522 -5.818 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 166 77.092 -4.320 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 166 76.222 -4.016 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 166 75.082 -3.724 -4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 166 74.993 -1.317 -4.714 1.00 0.00 H new ATOM 0 HD12 LEU A 166 76.662 -1.931 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 166 75.741 -1.672 -6.289 1.00 0.00 H new ATOM 0 HD21 LEU A 166 73.081 -2.822 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 166 73.829 -3.178 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 166 73.387 -4.508 -5.762 1.00 0.00 H new ATOM 774 N ALA A 167 77.340 -7.374 -6.258 1.00 0.00 N ATOM 775 CA ALA A 167 78.174 -8.284 -7.096 1.00 0.00 C ATOM 776 C ALA A 167 77.326 -9.452 -7.608 1.00 0.00 C ATOM 777 O ALA A 167 76.240 -9.703 -7.124 1.00 0.00 O ATOM 778 CB ALA A 167 79.274 -8.788 -6.162 1.00 0.00 C ATOM 0 H ALA A 167 77.590 -7.344 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 167 78.584 -7.780 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 167 79.931 -9.466 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 167 79.852 -7.942 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 167 78.824 -9.316 -5.322 1.00 0.00 H new ATOM 936 N ALA B 127 89.472 8.230 -4.151 1.00 0.00 N ATOM 937 CA ALA B 127 88.602 7.813 -3.013 1.00 0.00 C ATOM 938 C ALA B 127 87.822 6.543 -3.366 1.00 0.00 C ATOM 939 O ALA B 127 86.607 6.525 -3.347 1.00 0.00 O ATOM 940 CB ALA B 127 87.645 8.986 -2.798 1.00 0.00 C ATOM 0 HA ALA B 127 89.181 7.585 -2.118 1.00 0.00 H new ATOM 0 HB1 ALA B 127 86.969 8.758 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA B 127 88.217 9.883 -2.560 1.00 0.00 H new ATOM 0 HB3 ALA B 127 87.066 9.155 -3.706 1.00 0.00 H new ATOM 946 N VAL B 128 88.509 5.478 -3.679 1.00 0.00 N ATOM 947 CA VAL B 128 87.803 4.210 -4.022 1.00 0.00 C ATOM 948 C VAL B 128 88.713 3.010 -3.757 1.00 0.00 C ATOM 949 O VAL B 128 89.917 3.141 -3.663 1.00 0.00 O ATOM 950 CB VAL B 128 87.472 4.313 -5.511 1.00 0.00 C ATOM 951 CG1 VAL B 128 86.283 5.256 -5.701 1.00 0.00 C ATOM 952 CG2 VAL B 128 88.684 4.851 -6.272 1.00 0.00 C ATOM 0 H VAL B 128 89.527 5.431 -3.712 1.00 0.00 H new ATOM 0 HA VAL B 128 86.905 4.070 -3.420 1.00 0.00 H new ATOM 0 HB VAL B 128 87.218 3.326 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL B 128 86.044 5.332 -6.762 1.00 0.00 H new ATOM 0 HG12 VAL B 128 85.420 4.866 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL B 128 86.536 6.243 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL B 128 88.445 4.923 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL B 128 88.944 5.838 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL B 128 89.528 4.175 -6.136 1.00 0.00 H new ATOM 962 N CYS B 129 88.142 1.843 -3.630 1.00 0.00 N ATOM 963 CA CYS B 129 88.968 0.628 -3.364 1.00 0.00 C ATOM 964 C CYS B 129 90.163 0.569 -4.314 1.00 0.00 C ATOM 965 O CYS B 129 90.111 1.052 -5.427 1.00 0.00 O ATOM 966 CB CYS B 129 88.030 -0.552 -3.614 1.00 0.00 C ATOM 967 SG CYS B 129 88.793 -2.072 -2.997 1.00 0.00 S ATOM 0 H CYS B 129 87.138 1.677 -3.699 1.00 0.00 H new ATOM 0 HA CYS B 129 89.372 0.625 -2.352 1.00 0.00 H new ATOM 0 HB2 CYS B 129 87.076 -0.383 -3.115 1.00 0.00 H new ATOM 0 HB3 CYS B 129 87.821 -0.644 -4.680 1.00 0.00 H new ATOM 0 HG CYS B 129 88.266 -3.097 -3.598 1.00 0.00 H new ATOM 972 N THR B 130 91.242 -0.024 -3.882 1.00 0.00 N ATOM 973 CA THR B 130 92.440 -0.116 -4.760 1.00 0.00 C ATOM 974 C THR B 130 92.271 -1.265 -5.758 1.00 0.00 C ATOM 975 O THR B 130 92.816 -1.244 -6.843 1.00 0.00 O ATOM 976 CB THR B 130 93.607 -0.393 -3.812 1.00 0.00 C ATOM 977 OG1 THR B 130 94.831 -0.299 -4.529 1.00 0.00 O ATOM 978 CG2 THR B 130 93.465 -1.795 -3.218 1.00 0.00 C ATOM 0 H THR B 130 91.345 -0.448 -2.960 1.00 0.00 H new ATOM 0 HA THR B 130 92.599 0.791 -5.343 1.00 0.00 H new ATOM 0 HB THR B 130 93.602 0.340 -3.006 1.00 0.00 H new ATOM 0 HG1 THR B 130 95.580 -0.475 -3.922 1.00 0.00 H new ATOM 0 HG21 THR B 130 94.298 -1.990 -2.543 1.00 0.00 H new ATOM 0 HG22 THR B 130 92.527 -1.863 -2.667 1.00 0.00 H new ATOM 0 HG23 THR B 130 93.468 -2.532 -4.021 1.00 0.00 H new ATOM 986 N ARG B 131 91.514 -2.265 -5.398 1.00 0.00 N ATOM 987 CA ARG B 131 91.304 -3.413 -6.326 1.00 0.00 C ATOM 988 C ARG B 131 90.036 -3.188 -7.153 1.00 0.00 C ATOM 989 O ARG B 131 90.043 -3.308 -8.362 1.00 0.00 O ATOM 990 CB ARG B 131 91.146 -4.633 -5.419 1.00 0.00 C ATOM 991 CG ARG B 131 92.473 -5.391 -5.346 1.00 0.00 C ATOM 992 CD ARG B 131 92.227 -6.878 -5.603 1.00 0.00 C ATOM 993 NE ARG B 131 92.902 -7.161 -6.901 1.00 0.00 N ATOM 994 CZ ARG B 131 93.858 -8.046 -6.961 1.00 0.00 C ATOM 995 NH1 ARG B 131 95.018 -7.794 -6.420 1.00 0.00 N1+ ATOM 996 NH2 ARG B 131 93.654 -9.187 -7.564 1.00 0.00 N ATOM 0 H ARG B 131 91.032 -2.337 -4.502 1.00 0.00 H new ATOM 0 HA ARG B 131 92.128 -3.537 -7.029 1.00 0.00 H new ATOM 0 HB2 ARG B 131 90.839 -4.320 -4.421 1.00 0.00 H new ATOM 0 HB3 ARG B 131 90.363 -5.286 -5.804 1.00 0.00 H new ATOM 0 HG2 ARG B 131 93.171 -4.995 -6.083 1.00 0.00 H new ATOM 0 HG3 ARG B 131 92.930 -5.251 -4.366 1.00 0.00 H new ATOM 0 HD2 ARG B 131 92.640 -7.491 -4.802 1.00 0.00 H new ATOM 0 HD3 ARG B 131 91.161 -7.098 -5.656 1.00 0.00 H new ATOM 0 HE ARG B 131 92.616 -6.662 -7.743 1.00 0.00 H new ATOM 0 HH11 ARG B 131 95.178 -6.904 -5.949 1.00 0.00 H new ATOM 0 HH12 ARG B 131 95.765 -8.487 -6.468 1.00 0.00 H new ATOM 0 HH21 ARG B 131 92.747 -9.385 -7.987 1.00 0.00 H new ATOM 0 HH22 ARG B 131 94.401 -9.880 -7.611 1.00 0.00 H new ATOM 1010 N CYS B 132 88.948 -2.858 -6.512 1.00 0.00 N ATOM 1011 CA CYS B 132 87.684 -2.618 -7.265 1.00 0.00 C ATOM 1012 C CYS B 132 87.716 -1.228 -7.904 1.00 0.00 C ATOM 1013 O CYS B 132 87.057 -0.973 -8.891 1.00 0.00 O ATOM 1014 CB CYS B 132 86.572 -2.705 -6.219 1.00 0.00 C ATOM 1015 SG CYS B 132 86.803 -4.194 -5.217 1.00 0.00 S ATOM 0 H CYS B 132 88.880 -2.744 -5.501 1.00 0.00 H new ATOM 0 HA CYS B 132 87.536 -3.338 -8.070 1.00 0.00 H new ATOM 0 HB2 CYS B 132 86.586 -1.820 -5.583 1.00 0.00 H new ATOM 0 HB3 CYS B 132 85.598 -2.730 -6.709 1.00 0.00 H new ATOM 0 HG CYS B 132 86.124 -4.084 -4.114 1.00 0.00 H new ATOM 1020 N LYS B 133 88.486 -0.332 -7.346 1.00 0.00 N ATOM 1021 CA LYS B 133 88.580 1.047 -7.912 1.00 0.00 C ATOM 1022 C LYS B 133 87.245 1.791 -7.757 1.00 0.00 C ATOM 1023 O LYS B 133 87.049 2.850 -8.317 1.00 0.00 O ATOM 1024 CB LYS B 133 88.980 0.840 -9.387 1.00 0.00 C ATOM 1025 CG LYS B 133 87.817 1.127 -10.352 1.00 0.00 C ATOM 1026 CD LYS B 133 87.897 2.579 -10.831 1.00 0.00 C ATOM 1027 CE LYS B 133 86.494 3.080 -11.175 1.00 0.00 C ATOM 1028 NZ LYS B 133 86.647 3.768 -12.487 1.00 0.00 N1+ ATOM 0 H LYS B 133 89.058 -0.497 -6.517 1.00 0.00 H new ATOM 0 HA LYS B 133 89.310 1.669 -7.395 1.00 0.00 H new ATOM 0 HB2 LYS B 133 89.819 1.492 -9.629 1.00 0.00 H new ATOM 0 HB3 LYS B 133 89.322 -0.185 -9.528 1.00 0.00 H new ATOM 0 HG2 LYS B 133 87.862 0.449 -11.204 1.00 0.00 H new ATOM 0 HG3 LYS B 133 86.864 0.949 -9.853 1.00 0.00 H new ATOM 0 HD2 LYS B 133 88.338 3.205 -10.056 1.00 0.00 H new ATOM 0 HD3 LYS B 133 88.545 2.650 -11.705 1.00 0.00 H new ATOM 0 HE2 LYS B 133 85.785 2.255 -11.241 1.00 0.00 H new ATOM 0 HE3 LYS B 133 86.119 3.762 -10.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 85.726 4.141 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 87.323 4.552 -12.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 86.999 3.092 -13.195 1.00 0.00 H new ATOM 1042 N GLU B 134 86.329 1.252 -6.996 1.00 0.00 N ATOM 1043 CA GLU B 134 85.020 1.944 -6.809 1.00 0.00 C ATOM 1044 C GLU B 134 84.169 1.212 -5.768 1.00 0.00 C ATOM 1045 O GLU B 134 84.560 0.193 -5.234 1.00 0.00 O ATOM 1046 CB GLU B 134 84.341 1.893 -8.178 1.00 0.00 C ATOM 1047 CG GLU B 134 83.891 0.460 -8.473 1.00 0.00 C ATOM 1048 CD GLU B 134 83.857 0.235 -9.986 1.00 0.00 C ATOM 1049 OE1 GLU B 134 83.343 1.096 -10.681 1.00 0.00 O ATOM 1050 OE2 GLU B 134 84.346 -0.793 -10.424 1.00 0.00 O1- ATOM 0 H GLU B 134 86.430 0.367 -6.498 1.00 0.00 H new ATOM 0 HA GLU B 134 85.149 2.966 -6.452 1.00 0.00 H new ATOM 0 HB2 GLU B 134 83.483 2.565 -8.195 1.00 0.00 H new ATOM 0 HB3 GLU B 134 85.030 2.235 -8.950 1.00 0.00 H new ATOM 0 HG2 GLU B 134 84.573 -0.250 -8.005 1.00 0.00 H new ATOM 0 HG3 GLU B 134 82.904 0.283 -8.046 1.00 0.00 H new ATOM 1057 N SER B 135 83.006 1.727 -5.482 1.00 0.00 N ATOM 1058 CA SER B 135 82.118 1.069 -4.480 1.00 0.00 C ATOM 1059 C SER B 135 82.813 1.000 -3.116 1.00 0.00 C ATOM 1060 O SER B 135 82.663 0.044 -2.381 1.00 0.00 O ATOM 1061 CB SER B 135 81.873 -0.336 -5.033 1.00 0.00 C ATOM 1062 OG SER B 135 82.775 -1.249 -4.427 1.00 0.00 O ATOM 0 H SER B 135 82.630 2.578 -5.900 1.00 0.00 H new ATOM 0 HA SER B 135 81.187 1.616 -4.330 1.00 0.00 H new ATOM 0 HB2 SER B 135 80.845 -0.641 -4.838 1.00 0.00 H new ATOM 0 HB3 SER B 135 82.007 -0.341 -6.115 1.00 0.00 H new ATOM 0 HG SER B 135 83.687 -1.057 -4.730 1.00 0.00 H new ATOM 1068 N ALA B 136 83.570 2.005 -2.772 1.00 0.00 N ATOM 1069 CA ALA B 136 84.271 1.991 -1.455 1.00 0.00 C ATOM 1070 C ALA B 136 84.251 3.385 -0.825 1.00 0.00 C ATOM 1071 O ALA B 136 84.597 4.367 -1.452 1.00 0.00 O ATOM 1072 CB ALA B 136 85.706 1.570 -1.773 1.00 0.00 C ATOM 0 H ALA B 136 83.734 2.834 -3.343 1.00 0.00 H new ATOM 0 HA ALA B 136 83.794 1.316 -0.745 1.00 0.00 H new ATOM 0 HB1 ALA B 136 86.288 1.536 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA B 136 85.702 0.583 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA B 136 86.153 2.290 -2.458 1.00 0.00 H new ATOM 1078 N ASP B 137 83.851 3.478 0.413 1.00 0.00 N ATOM 1079 CA ASP B 137 83.812 4.805 1.090 1.00 0.00 C ATOM 1080 C ASP B 137 84.616 4.750 2.391 1.00 0.00 C ATOM 1081 O ASP B 137 84.376 5.504 3.314 1.00 0.00 O ATOM 1082 CB ASP B 137 82.333 5.059 1.379 1.00 0.00 C ATOM 1083 CG ASP B 137 82.078 6.566 1.452 1.00 0.00 C ATOM 1084 OD1 ASP B 137 82.959 7.315 1.061 1.00 0.00 O ATOM 1085 OD2 ASP B 137 81.007 6.945 1.896 1.00 0.00 O1- ATOM 0 H ASP B 137 83.549 2.690 0.986 1.00 0.00 H new ATOM 0 HA ASP B 137 84.246 5.597 0.480 1.00 0.00 H new ATOM 0 HB2 ASP B 137 81.717 4.613 0.598 1.00 0.00 H new ATOM 0 HB3 ASP B 137 82.049 4.585 2.319 1.00 0.00 H new ATOM 1090 N PHE B 138 85.566 3.859 2.472 1.00 0.00 N ATOM 1091 CA PHE B 138 86.384 3.749 3.713 1.00 0.00 C ATOM 1092 C PHE B 138 87.809 3.307 3.372 1.00 0.00 C ATOM 1093 O PHE B 138 88.029 2.530 2.464 1.00 0.00 O ATOM 1094 CB PHE B 138 85.684 2.684 4.556 1.00 0.00 C ATOM 1095 CG PHE B 138 84.747 3.352 5.532 1.00 0.00 C ATOM 1096 CD1 PHE B 138 85.234 3.837 6.752 1.00 0.00 C ATOM 1097 CD2 PHE B 138 83.390 3.487 5.217 1.00 0.00 C ATOM 1098 CE1 PHE B 138 84.365 4.457 7.656 1.00 0.00 C ATOM 1099 CE2 PHE B 138 82.520 4.107 6.120 1.00 0.00 C ATOM 1100 CZ PHE B 138 83.007 4.593 7.340 1.00 0.00 C ATOM 0 H PHE B 138 85.811 3.202 1.732 1.00 0.00 H new ATOM 0 HA PHE B 138 86.463 4.701 4.239 1.00 0.00 H new ATOM 0 HB2 PHE B 138 85.130 2.001 3.912 1.00 0.00 H new ATOM 0 HB3 PHE B 138 86.421 2.087 5.093 1.00 0.00 H new ATOM 0 HD1 PHE B 138 86.281 3.732 6.995 1.00 0.00 H new ATOM 0 HD2 PHE B 138 83.014 3.112 4.276 1.00 0.00 H new ATOM 0 HE1 PHE B 138 84.741 4.831 8.597 1.00 0.00 H new ATOM 0 HE2 PHE B 138 81.473 4.211 5.877 1.00 0.00 H new ATOM 0 HZ PHE B 138 82.336 5.073 8.037 1.00 0.00 H new ATOM 1110 N TRP B 139 88.779 3.792 4.096 1.00 0.00 N ATOM 1111 CA TRP B 139 90.188 3.394 3.817 1.00 0.00 C ATOM 1112 C TRP B 139 90.866 2.934 5.110 1.00 0.00 C ATOM 1113 O TRP B 139 90.759 3.570 6.140 1.00 0.00 O ATOM 1114 CB TRP B 139 90.856 4.656 3.262 1.00 0.00 C ATOM 1115 CG TRP B 139 91.668 5.317 4.331 1.00 0.00 C ATOM 1116 CD1 TRP B 139 92.919 4.954 4.697 1.00 0.00 C ATOM 1117 CD2 TRP B 139 91.311 6.454 5.170 1.00 0.00 C ATOM 1118 NE1 TRP B 139 93.350 5.791 5.710 1.00 0.00 N ATOM 1119 CE2 TRP B 139 92.395 6.733 6.036 1.00 0.00 C ATOM 1120 CE3 TRP B 139 90.164 7.261 5.264 1.00 0.00 C ATOM 1121 CZ2 TRP B 139 92.342 7.774 6.962 1.00 0.00 C ATOM 1122 CZ3 TRP B 139 90.107 8.312 6.195 1.00 0.00 C ATOM 1123 CH2 TRP B 139 91.194 8.567 7.042 1.00 0.00 C ATOM 0 H TRP B 139 88.658 4.447 4.869 1.00 0.00 H new ATOM 0 HA TRP B 139 90.258 2.564 3.114 1.00 0.00 H new ATOM 0 HB2 TRP B 139 91.494 4.398 2.416 1.00 0.00 H new ATOM 0 HB3 TRP B 139 90.098 5.346 2.891 1.00 0.00 H new ATOM 0 HD1 TRP B 139 93.488 4.143 4.268 1.00 0.00 H new ATOM 0 HE1 TRP B 139 94.262 5.721 6.161 1.00 0.00 H new ATOM 0 HE3 TRP B 139 89.321 7.072 4.616 1.00 0.00 H new ATOM 0 HZ2 TRP B 139 93.182 7.966 7.613 1.00 0.00 H new ATOM 0 HZ3 TRP B 139 89.221 8.926 6.258 1.00 0.00 H new ATOM 0 HH2 TRP B 139 91.145 9.376 7.756 1.00 0.00 H new ATOM 1134 N CYS B 140 91.559 1.829 5.064 1.00 0.00 N ATOM 1135 CA CYS B 140 92.238 1.324 6.292 1.00 0.00 C ATOM 1136 C CYS B 140 93.432 2.214 6.646 1.00 0.00 C ATOM 1137 O CYS B 140 94.311 2.441 5.839 1.00 0.00 O ATOM 1138 CB CYS B 140 92.709 -0.085 5.930 1.00 0.00 C ATOM 1139 SG CYS B 140 91.569 -1.301 6.637 1.00 0.00 S ATOM 0 H CYS B 140 91.685 1.254 4.231 1.00 0.00 H new ATOM 0 HA CYS B 140 91.577 1.325 7.158 1.00 0.00 H new ATOM 0 HB2 CYS B 140 92.753 -0.198 4.847 1.00 0.00 H new ATOM 0 HB3 CYS B 140 93.717 -0.252 6.309 1.00 0.00 H new ATOM 0 HG CYS B 140 91.840 -2.479 6.159 1.00 0.00 H new ATOM 1144 N PHE B 141 93.470 2.716 7.850 1.00 0.00 N ATOM 1145 CA PHE B 141 94.608 3.590 8.257 1.00 0.00 C ATOM 1146 C PHE B 141 95.886 2.757 8.393 1.00 0.00 C ATOM 1147 O PHE B 141 96.941 3.141 7.928 1.00 0.00 O ATOM 1148 CB PHE B 141 94.200 4.169 9.611 1.00 0.00 C ATOM 1149 CG PHE B 141 95.047 5.382 9.915 1.00 0.00 C ATOM 1150 CD1 PHE B 141 96.315 5.224 10.487 1.00 0.00 C ATOM 1151 CD2 PHE B 141 94.565 6.663 9.624 1.00 0.00 C ATOM 1152 CE1 PHE B 141 97.101 6.348 10.767 1.00 0.00 C ATOM 1153 CE2 PHE B 141 95.351 7.786 9.904 1.00 0.00 C ATOM 1154 CZ PHE B 141 96.619 7.630 10.476 1.00 0.00 C ATOM 0 H PHE B 141 92.764 2.559 8.569 1.00 0.00 H new ATOM 0 HA PHE B 141 94.812 4.372 7.526 1.00 0.00 H new ATOM 0 HB2 PHE B 141 93.145 4.443 9.599 1.00 0.00 H new ATOM 0 HB3 PHE B 141 94.326 3.419 10.392 1.00 0.00 H new ATOM 0 HD1 PHE B 141 96.687 4.235 10.712 1.00 0.00 H new ATOM 0 HD2 PHE B 141 93.587 6.785 9.183 1.00 0.00 H new ATOM 0 HE1 PHE B 141 98.079 6.226 11.208 1.00 0.00 H new ATOM 0 HE2 PHE B 141 94.979 8.775 9.679 1.00 0.00 H new ATOM 0 HZ PHE B 141 97.225 8.497 10.693 1.00 0.00 H new ATOM 1164 N GLU B 142 95.797 1.619 9.026 1.00 0.00 N ATOM 1165 CA GLU B 142 97.007 0.762 9.190 1.00 0.00 C ATOM 1166 C GLU B 142 97.482 0.257 7.825 1.00 0.00 C ATOM 1167 O GLU B 142 98.649 0.333 7.496 1.00 0.00 O ATOM 1168 CB GLU B 142 96.550 -0.407 10.064 1.00 0.00 C ATOM 1169 CG GLU B 142 96.071 0.123 11.417 1.00 0.00 C ATOM 1170 CD GLU B 142 95.253 -0.958 12.127 1.00 0.00 C ATOM 1171 OE1 GLU B 142 95.791 -2.031 12.346 1.00 0.00 O1- ATOM 1172 OE2 GLU B 142 94.104 -0.695 12.441 1.00 0.00 O ATOM 0 H GLU B 142 94.941 1.246 9.436 1.00 0.00 H new ATOM 0 HA GLU B 142 97.840 1.303 9.638 1.00 0.00 H new ATOM 0 HB2 GLU B 142 95.746 -0.952 9.570 1.00 0.00 H new ATOM 0 HB3 GLU B 142 97.370 -1.110 10.207 1.00 0.00 H new ATOM 0 HG2 GLU B 142 96.925 0.410 12.031 1.00 0.00 H new ATOM 0 HG3 GLU B 142 95.466 1.018 11.275 1.00 0.00 H new ATOM 1179 N CYS B 143 96.585 -0.255 7.028 1.00 0.00 N ATOM 1180 CA CYS B 143 96.982 -0.763 5.683 1.00 0.00 C ATOM 1181 C CYS B 143 97.231 0.408 4.728 1.00 0.00 C ATOM 1182 O CYS B 143 97.918 0.278 3.734 1.00 0.00 O ATOM 1183 CB CYS B 143 95.793 -1.599 5.210 1.00 0.00 C ATOM 1184 SG CYS B 143 95.340 -2.787 6.498 1.00 0.00 S ATOM 0 H CYS B 143 95.593 -0.344 7.250 1.00 0.00 H new ATOM 0 HA CYS B 143 97.902 -1.346 5.716 1.00 0.00 H new ATOM 0 HB2 CYS B 143 94.946 -0.951 4.984 1.00 0.00 H new ATOM 0 HB3 CYS B 143 96.047 -2.124 4.289 1.00 0.00 H new ATOM 0 HG CYS B 143 94.832 -2.154 7.513 1.00 0.00 H new ATOM 1189 N GLU B 144 96.675 1.552 5.021 1.00 0.00 N ATOM 1190 CA GLU B 144 96.880 2.731 4.130 1.00 0.00 C ATOM 1191 C GLU B 144 96.317 2.445 2.736 1.00 0.00 C ATOM 1192 O GLU B 144 96.814 2.936 1.742 1.00 0.00 O ATOM 1193 CB GLU B 144 98.395 2.923 4.067 1.00 0.00 C ATOM 1194 CG GLU B 144 99.004 2.628 5.439 1.00 0.00 C ATOM 1195 CD GLU B 144 100.179 3.574 5.690 1.00 0.00 C ATOM 1196 OE1 GLU B 144 101.244 3.321 5.152 1.00 0.00 O1- ATOM 1197 OE2 GLU B 144 99.994 4.536 6.417 1.00 0.00 O ATOM 0 H GLU B 144 96.088 1.722 5.838 1.00 0.00 H new ATOM 0 HA GLU B 144 96.372 3.621 4.501 1.00 0.00 H new ATOM 0 HB2 GLU B 144 98.825 2.260 3.316 1.00 0.00 H new ATOM 0 HB3 GLU B 144 98.631 3.943 3.764 1.00 0.00 H new ATOM 0 HG2 GLU B 144 98.251 2.752 6.217 1.00 0.00 H new ATOM 0 HG3 GLU B 144 99.341 1.592 5.484 1.00 0.00 H new ATOM 1204 N GLN B 145 95.281 1.656 2.655 1.00 0.00 N ATOM 1205 CA GLN B 145 94.685 1.342 1.324 1.00 0.00 C ATOM 1206 C GLN B 145 93.159 1.453 1.391 1.00 0.00 C ATOM 1207 O GLN B 145 92.568 1.373 2.450 1.00 0.00 O ATOM 1208 CB GLN B 145 95.107 -0.097 1.028 1.00 0.00 C ATOM 1209 CG GLN B 145 94.321 -1.057 1.924 1.00 0.00 C ATOM 1210 CD GLN B 145 94.804 -2.490 1.683 1.00 0.00 C ATOM 1211 OE1 GLN B 145 95.966 -2.790 1.870 1.00 0.00 O ATOM 1212 NE2 GLN B 145 93.954 -3.392 1.274 1.00 0.00 N ATOM 0 H GLN B 145 94.821 1.215 3.452 1.00 0.00 H new ATOM 0 HA GLN B 145 95.020 2.030 0.548 1.00 0.00 H new ATOM 0 HB2 GLN B 145 94.925 -0.331 -0.021 1.00 0.00 H new ATOM 0 HB3 GLN B 145 96.177 -0.216 1.201 1.00 0.00 H new ATOM 0 HG2 GLN B 145 94.457 -0.787 2.971 1.00 0.00 H new ATOM 0 HG3 GLN B 145 93.255 -0.980 1.711 1.00 0.00 H new ATOM 0 HE21 GLN B 145 92.978 -3.139 1.117 1.00 0.00 H new ATOM 0 HE22 GLN B 145 94.265 -4.350 1.111 1.00 0.00 H new ATOM 1221 N LEU B 146 92.517 1.639 0.270 1.00 0.00 N ATOM 1222 CA LEU B 146 91.030 1.757 0.276 1.00 0.00 C ATOM 1223 C LEU B 146 90.387 0.372 0.173 1.00 0.00 C ATOM 1224 O LEU B 146 90.940 -0.539 -0.412 1.00 0.00 O ATOM 1225 CB LEU B 146 90.693 2.594 -0.958 1.00 0.00 C ATOM 1226 CG LEU B 146 91.324 3.980 -0.823 1.00 0.00 C ATOM 1227 CD1 LEU B 146 92.398 4.159 -1.897 1.00 0.00 C ATOM 1228 CD2 LEU B 146 90.243 5.050 -0.997 1.00 0.00 C ATOM 0 H LEU B 146 92.956 1.714 -0.648 1.00 0.00 H new ATOM 0 HA LEU B 146 90.658 2.213 1.194 1.00 0.00 H new ATOM 0 HB2 LEU B 146 91.063 2.101 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU B 146 89.612 2.684 -1.065 1.00 0.00 H new ATOM 0 HG LEU B 146 91.778 4.079 0.163 1.00 0.00 H new ATOM 0 HD11 LEU B 146 92.848 5.147 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU B 146 93.167 3.397 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU B 146 91.946 4.061 -2.884 1.00 0.00 H new ATOM 0 HD21 LEU B 146 90.691 6.039 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU B 146 89.789 4.952 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU B 146 89.478 4.922 -0.231 1.00 0.00 H new ATOM 1240 N LEU B 147 89.222 0.207 0.736 1.00 0.00 N ATOM 1241 CA LEU B 147 88.540 -1.117 0.671 1.00 0.00 C ATOM 1242 C LEU B 147 87.040 -0.927 0.436 1.00 0.00 C ATOM 1243 O LEU B 147 86.387 -0.164 1.119 1.00 0.00 O ATOM 1244 CB LEU B 147 88.789 -1.760 2.036 1.00 0.00 C ATOM 1245 CG LEU B 147 90.206 -2.337 2.080 1.00 0.00 C ATOM 1246 CD1 LEU B 147 90.817 -2.086 3.460 1.00 0.00 C ATOM 1247 CD2 LEU B 147 90.150 -3.842 1.812 1.00 0.00 C ATOM 0 H LEU B 147 88.712 0.933 1.239 1.00 0.00 H new ATOM 0 HA LEU B 147 88.915 -1.734 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU B 147 88.662 -1.020 2.826 1.00 0.00 H new ATOM 0 HB3 LEU B 147 88.058 -2.549 2.217 1.00 0.00 H new ATOM 0 HG LEU B 147 90.820 -1.854 1.319 1.00 0.00 H new ATOM 0 HD11 LEU B 147 91.826 -2.497 3.491 1.00 0.00 H new ATOM 0 HD12 LEU B 147 90.856 -1.014 3.651 1.00 0.00 H new ATOM 0 HD13 LEU B 147 90.205 -2.568 4.222 1.00 0.00 H new ATOM 0 HD21 LEU B 147 91.158 -4.255 1.843 1.00 0.00 H new ATOM 0 HD22 LEU B 147 89.537 -4.325 2.573 1.00 0.00 H new ATOM 0 HD23 LEU B 147 89.715 -4.021 0.829 1.00 0.00 H new ATOM 1259 N CYS B 148 86.488 -1.614 -0.527 1.00 0.00 N ATOM 1260 CA CYS B 148 85.030 -1.471 -0.803 1.00 0.00 C ATOM 1261 C CYS B 148 84.218 -2.267 0.221 1.00 0.00 C ATOM 1262 O CYS B 148 84.742 -3.103 0.928 1.00 0.00 O ATOM 1263 CB CYS B 148 84.834 -2.043 -2.207 1.00 0.00 C ATOM 1264 SG CYS B 148 85.247 -3.805 -2.203 1.00 0.00 S ATOM 0 H CYS B 148 86.983 -2.267 -1.134 1.00 0.00 H new ATOM 0 HA CYS B 148 84.696 -0.436 -0.736 1.00 0.00 H new ATOM 0 HB2 CYS B 148 83.802 -1.901 -2.528 1.00 0.00 H new ATOM 0 HB3 CYS B 148 85.466 -1.512 -2.919 1.00 0.00 H new ATOM 0 HG CYS B 148 86.495 -3.957 -1.873 1.00 0.00 H new ATOM 1269 N ALA B 149 82.940 -2.009 0.307 1.00 0.00 N ATOM 1270 CA ALA B 149 82.093 -2.749 1.287 1.00 0.00 C ATOM 1271 C ALA B 149 82.346 -4.255 1.175 1.00 0.00 C ATOM 1272 O ALA B 149 82.358 -4.967 2.159 1.00 0.00 O ATOM 1273 CB ALA B 149 80.654 -2.415 0.896 1.00 0.00 C ATOM 0 H ALA B 149 82.446 -1.318 -0.259 1.00 0.00 H new ATOM 0 HA ALA B 149 82.311 -2.468 2.317 1.00 0.00 H new ATOM 0 HB1 ALA B 149 79.966 -2.923 1.572 1.00 0.00 H new ATOM 0 HB2 ALA B 149 80.499 -1.338 0.963 1.00 0.00 H new ATOM 0 HB3 ALA B 149 80.469 -2.745 -0.126 1.00 0.00 H new ATOM 1279 N LYS B 150 82.551 -4.745 -0.017 1.00 0.00 N ATOM 1280 CA LYS B 150 82.803 -6.205 -0.190 1.00 0.00 C ATOM 1281 C LYS B 150 84.155 -6.589 0.423 1.00 0.00 C ATOM 1282 O LYS B 150 84.427 -7.747 0.668 1.00 0.00 O ATOM 1283 CB LYS B 150 82.817 -6.428 -1.703 1.00 0.00 C ATOM 1284 CG LYS B 150 82.909 -7.926 -1.996 1.00 0.00 C ATOM 1285 CD LYS B 150 81.562 -8.588 -1.697 1.00 0.00 C ATOM 1286 CE LYS B 150 80.970 -9.149 -2.992 1.00 0.00 C ATOM 1287 NZ LYS B 150 80.633 -10.565 -2.673 1.00 0.00 N1+ ATOM 0 H LYS B 150 82.555 -4.199 -0.878 1.00 0.00 H new ATOM 0 HA LYS B 150 82.047 -6.815 0.306 1.00 0.00 H new ATOM 0 HB2 LYS B 150 81.914 -6.014 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS B 150 83.663 -5.906 -2.151 1.00 0.00 H new ATOM 0 HG2 LYS B 150 83.182 -8.087 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS B 150 83.692 -8.379 -1.388 1.00 0.00 H new ATOM 0 HD2 LYS B 150 81.692 -9.388 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS B 150 80.878 -7.863 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS B 150 80.085 -8.591 -3.297 1.00 0.00 H new ATOM 0 HE3 LYS B 150 81.684 -9.087 -3.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 150 80.221 -11.021 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 150 81.496 -11.072 -2.392 1.00 0.00 H new ATOM 0 HZ3 LYS B 150 79.946 -10.591 -1.892 1.00 0.00 H new ATOM 1301 N CYS B 151 85.006 -5.629 0.671 1.00 0.00 N ATOM 1302 CA CYS B 151 86.336 -5.947 1.265 1.00 0.00 C ATOM 1303 C CYS B 151 86.443 -5.366 2.679 1.00 0.00 C ATOM 1304 O CYS B 151 86.819 -6.047 3.612 1.00 0.00 O ATOM 1305 CB CYS B 151 87.354 -5.287 0.334 1.00 0.00 C ATOM 1306 SG CYS B 151 87.389 -6.169 -1.245 1.00 0.00 S ATOM 0 H CYS B 151 84.837 -4.640 0.488 1.00 0.00 H new ATOM 0 HA CYS B 151 86.500 -7.021 1.354 1.00 0.00 H new ATOM 0 HB2 CYS B 151 87.091 -4.242 0.173 1.00 0.00 H new ATOM 0 HB3 CYS B 151 88.343 -5.300 0.792 1.00 0.00 H new ATOM 0 HG CYS B 151 86.527 -5.636 -2.059 1.00 0.00 H new ATOM 1311 N PHE B 152 86.114 -4.113 2.843 1.00 0.00 N ATOM 1312 CA PHE B 152 86.199 -3.493 4.197 1.00 0.00 C ATOM 1313 C PHE B 152 85.494 -4.377 5.231 1.00 0.00 C ATOM 1314 O PHE B 152 86.020 -4.649 6.293 1.00 0.00 O ATOM 1315 CB PHE B 152 85.479 -2.151 4.063 1.00 0.00 C ATOM 1316 CG PHE B 152 85.229 -1.577 5.437 1.00 0.00 C ATOM 1317 CD1 PHE B 152 86.287 -1.451 6.346 1.00 0.00 C ATOM 1318 CD2 PHE B 152 83.940 -1.173 5.802 1.00 0.00 C ATOM 1319 CE1 PHE B 152 86.054 -0.920 7.620 1.00 0.00 C ATOM 1320 CE2 PHE B 152 83.707 -0.643 7.077 1.00 0.00 C ATOM 1321 CZ PHE B 152 84.765 -0.516 7.986 1.00 0.00 C ATOM 0 H PHE B 152 85.791 -3.493 2.100 1.00 0.00 H new ATOM 0 HA PHE B 152 87.230 -3.373 4.531 1.00 0.00 H new ATOM 0 HB2 PHE B 152 86.081 -1.460 3.472 1.00 0.00 H new ATOM 0 HB3 PHE B 152 84.535 -2.283 3.535 1.00 0.00 H new ATOM 0 HD1 PHE B 152 87.282 -1.763 6.064 1.00 0.00 H new ATOM 0 HD2 PHE B 152 83.125 -1.270 5.100 1.00 0.00 H new ATOM 0 HE1 PHE B 152 86.870 -0.822 8.321 1.00 0.00 H new ATOM 0 HE2 PHE B 152 82.712 -0.332 7.359 1.00 0.00 H new ATOM 0 HZ PHE B 152 84.586 -0.106 8.969 1.00 0.00 H new ATOM 1331 N GLU B 153 84.308 -4.828 4.927 1.00 0.00 N ATOM 1332 CA GLU B 153 83.567 -5.693 5.890 1.00 0.00 C ATOM 1333 C GLU B 153 84.356 -6.978 6.160 1.00 0.00 C ATOM 1334 O GLU B 153 84.523 -7.390 7.291 1.00 0.00 O ATOM 1335 CB GLU B 153 82.243 -6.014 5.196 1.00 0.00 C ATOM 1336 CG GLU B 153 81.487 -4.715 4.909 1.00 0.00 C ATOM 1337 CD GLU B 153 80.455 -4.468 6.010 1.00 0.00 C ATOM 1338 OE1 GLU B 153 80.756 -4.769 7.154 1.00 0.00 O ATOM 1339 OE2 GLU B 153 79.381 -3.984 5.692 1.00 0.00 O1- ATOM 0 H GLU B 153 83.819 -4.635 4.053 1.00 0.00 H new ATOM 0 HA GLU B 153 83.415 -5.204 6.852 1.00 0.00 H new ATOM 0 HB2 GLU B 153 82.429 -6.552 4.266 1.00 0.00 H new ATOM 0 HB3 GLU B 153 81.639 -6.667 5.826 1.00 0.00 H new ATOM 0 HG2 GLU B 153 82.185 -3.880 4.857 1.00 0.00 H new ATOM 0 HG3 GLU B 153 80.992 -4.777 3.940 1.00 0.00 H new ATOM 1346 N ALA B 154 84.843 -7.613 5.129 1.00 0.00 N ATOM 1347 CA ALA B 154 85.619 -8.871 5.325 1.00 0.00 C ATOM 1348 C ALA B 154 86.769 -8.637 6.309 1.00 0.00 C ATOM 1349 O ALA B 154 87.002 -9.426 7.202 1.00 0.00 O ATOM 1350 CB ALA B 154 86.162 -9.222 3.940 1.00 0.00 C ATOM 0 H ALA B 154 84.737 -7.315 4.159 1.00 0.00 H new ATOM 0 HA ALA B 154 85.007 -9.673 5.738 1.00 0.00 H new ATOM 0 HB1 ALA B 154 86.747 -10.140 4.000 1.00 0.00 H new ATOM 0 HB2 ALA B 154 85.331 -9.366 3.249 1.00 0.00 H new ATOM 0 HB3 ALA B 154 86.796 -8.411 3.581 1.00 0.00 H new ATOM 1356 N HIS B 155 87.487 -7.559 6.154 1.00 0.00 N ATOM 1357 CA HIS B 155 88.620 -7.279 7.084 1.00 0.00 C ATOM 1358 C HIS B 155 88.104 -7.158 8.521 1.00 0.00 C ATOM 1359 O HIS B 155 88.537 -7.867 9.410 1.00 0.00 O ATOM 1360 CB HIS B 155 89.202 -5.946 6.609 1.00 0.00 C ATOM 1361 CG HIS B 155 90.697 -5.964 6.773 1.00 0.00 C ATOM 1362 ND1 HIS B 155 91.459 -7.085 6.485 1.00 0.00 N ATOM 1363 CD2 HIS B 155 91.585 -5.005 7.195 1.00 0.00 C ATOM 1364 CE1 HIS B 155 92.745 -6.776 6.734 1.00 0.00 C ATOM 1365 NE2 HIS B 155 92.878 -5.520 7.170 1.00 0.00 N ATOM 0 H HIS B 155 87.340 -6.860 5.426 1.00 0.00 H new ATOM 0 HA HIS B 155 89.366 -8.074 7.079 1.00 0.00 H new ATOM 0 HB2 HIS B 155 88.942 -5.775 5.564 1.00 0.00 H new ATOM 0 HB3 HIS B 155 88.773 -5.125 7.183 1.00 0.00 H new ATOM 0 HD1 HIS B 155 91.109 -7.981 6.146 1.00 0.00 H new ATOM 0 HD2 HIS B 155 91.320 -4.003 7.500 1.00 0.00 H new ATOM 0 HE1 HIS B 155 93.569 -7.460 6.598 1.00 0.00 H new ATOM 1373 N GLN B 156 87.181 -6.265 8.754 1.00 0.00 N ATOM 1374 CA GLN B 156 86.636 -6.098 10.132 1.00 0.00 C ATOM 1375 C GLN B 156 86.122 -7.438 10.665 1.00 0.00 C ATOM 1376 O GLN B 156 85.998 -7.636 11.857 1.00 0.00 O ATOM 1377 CB GLN B 156 85.487 -5.100 9.986 1.00 0.00 C ATOM 1378 CG GLN B 156 85.535 -4.097 11.140 1.00 0.00 C ATOM 1379 CD GLN B 156 84.370 -3.113 11.012 1.00 0.00 C ATOM 1380 OE1 GLN B 156 83.221 -3.498 11.110 1.00 0.00 O ATOM 1381 NE2 GLN B 156 84.619 -1.851 10.795 1.00 0.00 N ATOM 0 H GLN B 156 86.781 -5.644 8.051 1.00 0.00 H new ATOM 0 HA GLN B 156 87.392 -5.748 10.835 1.00 0.00 H new ATOM 0 HB2 GLN B 156 85.563 -4.578 9.032 1.00 0.00 H new ATOM 0 HB3 GLN B 156 84.532 -5.626 9.986 1.00 0.00 H new ATOM 0 HG2 GLN B 156 85.478 -4.621 12.094 1.00 0.00 H new ATOM 0 HG3 GLN B 156 86.483 -3.558 11.128 1.00 0.00 H new ATOM 0 HE21 GLN B 156 85.583 -1.528 10.713 1.00 0.00 H new ATOM 0 HE22 GLN B 156 83.850 -1.187 10.708 1.00 0.00 H new ATOM 1390 N TRP B 157 85.820 -8.360 9.791 1.00 0.00 N ATOM 1391 CA TRP B 157 85.317 -9.686 10.251 1.00 0.00 C ATOM 1392 C TRP B 157 86.474 -10.682 10.340 1.00 0.00 C ATOM 1393 O TRP B 157 86.530 -11.506 11.232 1.00 0.00 O ATOM 1394 CB TRP B 157 84.314 -10.123 9.184 1.00 0.00 C ATOM 1395 CG TRP B 157 83.410 -11.169 9.752 1.00 0.00 C ATOM 1396 CD1 TRP B 157 82.655 -11.023 10.866 1.00 0.00 C ATOM 1397 CD2 TRP B 157 83.151 -12.516 9.257 1.00 0.00 C ATOM 1398 NE1 TRP B 157 81.949 -12.192 11.085 1.00 0.00 N ATOM 1399 CE2 TRP B 157 82.221 -13.141 10.121 1.00 0.00 C ATOM 1400 CE3 TRP B 157 83.627 -13.246 8.153 1.00 0.00 C ATOM 1401 CZ2 TRP B 157 81.780 -14.446 9.898 1.00 0.00 C ATOM 1402 CZ3 TRP B 157 83.185 -14.560 7.926 1.00 0.00 C ATOM 1403 CH2 TRP B 157 82.264 -15.159 8.797 1.00 0.00 C ATOM 0 H TRP B 157 85.900 -8.252 8.780 1.00 0.00 H new ATOM 0 HA TRP B 157 84.861 -9.636 11.240 1.00 0.00 H new ATOM 0 HB2 TRP B 157 83.730 -9.267 8.845 1.00 0.00 H new ATOM 0 HB3 TRP B 157 84.840 -10.515 8.313 1.00 0.00 H new ATOM 0 HD1 TRP B 157 82.611 -10.138 11.483 1.00 0.00 H new ATOM 0 HE1 TRP B 157 81.306 -12.335 11.864 1.00 0.00 H new ATOM 0 HE3 TRP B 157 84.336 -12.794 7.476 1.00 0.00 H new ATOM 0 HZ2 TRP B 157 81.070 -14.902 10.571 1.00 0.00 H new ATOM 0 HZ3 TRP B 157 83.557 -15.112 7.075 1.00 0.00 H new ATOM 0 HH2 TRP B 157 81.929 -16.170 8.618 1.00 0.00 H new ATOM 1414 N PHE B 158 87.398 -10.612 9.423 1.00 0.00 N ATOM 1415 CA PHE B 158 88.553 -11.553 9.456 1.00 0.00 C ATOM 1416 C PHE B 158 89.388 -11.322 10.716 1.00 0.00 C ATOM 1417 O PHE B 158 90.157 -12.169 11.124 1.00 0.00 O ATOM 1418 CB PHE B 158 89.370 -11.229 8.204 1.00 0.00 C ATOM 1419 CG PHE B 158 89.878 -12.513 7.591 1.00 0.00 C ATOM 1420 CD1 PHE B 158 91.117 -13.033 7.985 1.00 0.00 C ATOM 1421 CD2 PHE B 158 89.110 -13.182 6.631 1.00 0.00 C ATOM 1422 CE1 PHE B 158 91.587 -14.224 7.418 1.00 0.00 C ATOM 1423 CE2 PHE B 158 89.581 -14.373 6.065 1.00 0.00 C ATOM 1424 CZ PHE B 158 90.819 -14.894 6.458 1.00 0.00 C ATOM 0 H PHE B 158 87.404 -9.944 8.652 1.00 0.00 H new ATOM 0 HA PHE B 158 88.233 -12.595 9.473 1.00 0.00 H new ATOM 0 HB2 PHE B 158 88.755 -10.688 7.485 1.00 0.00 H new ATOM 0 HB3 PHE B 158 90.207 -10.579 8.460 1.00 0.00 H new ATOM 0 HD1 PHE B 158 91.709 -12.516 8.725 1.00 0.00 H new ATOM 0 HD2 PHE B 158 88.155 -12.780 6.327 1.00 0.00 H new ATOM 0 HE1 PHE B 158 92.542 -14.626 7.721 1.00 0.00 H new ATOM 0 HE2 PHE B 158 88.988 -14.890 5.325 1.00 0.00 H new ATOM 0 HZ PHE B 158 91.182 -15.813 6.021 1.00 0.00 H new ATOM 1434 N LEU B 159 89.247 -10.182 11.333 1.00 0.00 N ATOM 1435 CA LEU B 159 90.038 -9.901 12.562 1.00 0.00 C ATOM 1436 C LEU B 159 89.597 -8.565 13.175 1.00 0.00 C ATOM 1437 O LEU B 159 88.431 -8.225 13.159 1.00 0.00 O ATOM 1438 CB LEU B 159 91.479 -9.832 12.070 1.00 0.00 C ATOM 1439 CG LEU B 159 91.577 -8.749 11.005 1.00 0.00 C ATOM 1440 CD1 LEU B 159 92.566 -7.670 11.451 1.00 0.00 C ATOM 1441 CD2 LEU B 159 92.055 -9.380 9.706 1.00 0.00 C ATOM 0 H LEU B 159 88.619 -9.434 11.039 1.00 0.00 H new ATOM 0 HA LEU B 159 89.907 -10.655 13.339 1.00 0.00 H new ATOM 0 HB2 LEU B 159 92.151 -9.610 12.899 1.00 0.00 H new ATOM 0 HB3 LEU B 159 91.785 -10.794 11.660 1.00 0.00 H new ATOM 0 HG LEU B 159 90.600 -8.290 10.855 1.00 0.00 H new ATOM 0 HD11 LEU B 159 92.632 -6.898 10.685 1.00 0.00 H new ATOM 0 HD12 LEU B 159 92.223 -7.226 12.385 1.00 0.00 H new ATOM 0 HD13 LEU B 159 93.549 -8.117 11.601 1.00 0.00 H new ATOM 0 HD21 LEU B 159 92.129 -8.613 8.935 1.00 0.00 H new ATOM 0 HD22 LEU B 159 93.033 -9.835 9.861 1.00 0.00 H new ATOM 0 HD23 LEU B 159 91.345 -10.145 9.390 1.00 0.00 H new ATOM 1453 N LYS B 160 90.513 -7.806 13.714 1.00 0.00 N ATOM 1454 CA LYS B 160 90.133 -6.499 14.324 1.00 0.00 C ATOM 1455 C LYS B 160 90.873 -5.352 13.629 1.00 0.00 C ATOM 1456 O LYS B 160 92.068 -5.193 13.778 1.00 0.00 O ATOM 1457 CB LYS B 160 90.561 -6.607 15.787 1.00 0.00 C ATOM 1458 CG LYS B 160 89.530 -7.434 16.557 1.00 0.00 C ATOM 1459 CD LYS B 160 90.226 -8.202 17.682 1.00 0.00 C ATOM 1460 CE LYS B 160 89.448 -8.007 18.986 1.00 0.00 C ATOM 1461 NZ LYS B 160 89.507 -9.331 19.668 1.00 0.00 N1+ ATOM 0 H LYS B 160 91.506 -8.034 13.758 1.00 0.00 H new ATOM 0 HA LYS B 160 89.068 -6.292 14.225 1.00 0.00 H new ATOM 0 HB2 LYS B 160 91.544 -7.074 15.857 1.00 0.00 H new ATOM 0 HB3 LYS B 160 90.648 -5.613 16.226 1.00 0.00 H new ATOM 0 HG2 LYS B 160 88.761 -6.782 16.970 1.00 0.00 H new ATOM 0 HG3 LYS B 160 89.030 -8.130 15.883 1.00 0.00 H new ATOM 0 HD2 LYS B 160 90.282 -9.262 17.434 1.00 0.00 H new ATOM 0 HD3 LYS B 160 91.250 -7.848 17.800 1.00 0.00 H new ATOM 0 HE2 LYS B 160 89.896 -7.226 19.600 1.00 0.00 H new ATOM 0 HE3 LYS B 160 88.418 -7.708 18.791 1.00 0.00 H new ATOM 0 HZ1 LYS B 160 88.995 -9.279 20.572 1.00 0.00 H new ATOM 0 HZ2 LYS B 160 89.068 -10.053 19.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 160 90.499 -9.586 19.847 1.00 0.00 H new ATOM 1475 N HIS B 161 90.172 -4.550 12.875 1.00 0.00 N ATOM 1476 CA HIS B 161 90.838 -3.412 12.177 1.00 0.00 C ATOM 1477 C HIS B 161 90.027 -2.128 12.371 1.00 0.00 C ATOM 1478 O HIS B 161 88.854 -2.165 12.682 1.00 0.00 O ATOM 1479 CB HIS B 161 90.868 -3.810 10.702 1.00 0.00 C ATOM 1480 CG HIS B 161 92.210 -3.459 10.119 1.00 0.00 C ATOM 1481 ND1 HIS B 161 93.266 -4.357 10.099 1.00 0.00 N ATOM 1482 CD2 HIS B 161 92.684 -2.311 9.533 1.00 0.00 C ATOM 1483 CE1 HIS B 161 94.312 -3.740 9.519 1.00 0.00 C ATOM 1484 NE2 HIS B 161 94.011 -2.491 9.156 1.00 0.00 N ATOM 0 H HIS B 161 89.169 -4.633 12.712 1.00 0.00 H new ATOM 0 HA HIS B 161 91.838 -3.219 12.565 1.00 0.00 H new ATOM 0 HB2 HIS B 161 90.682 -4.879 10.598 1.00 0.00 H new ATOM 0 HB3 HIS B 161 90.076 -3.294 10.158 1.00 0.00 H new ATOM 0 HD1 HIS B 161 93.253 -5.311 10.458 1.00 0.00 H new ATOM 0 HD2 HIS B 161 92.113 -1.406 9.387 1.00 0.00 H new ATOM 0 HE1 HIS B 161 95.277 -4.199 9.366 1.00 0.00 H new ATOM 1492 N GLU B 162 90.645 -0.992 12.189 1.00 0.00 N ATOM 1493 CA GLU B 162 89.906 0.291 12.365 1.00 0.00 C ATOM 1494 C GLU B 162 90.106 1.190 11.142 1.00 0.00 C ATOM 1495 O GLU B 162 91.184 1.696 10.901 1.00 0.00 O ATOM 1496 CB GLU B 162 90.519 0.934 13.609 1.00 0.00 C ATOM 1497 CG GLU B 162 89.401 1.402 14.542 1.00 0.00 C ATOM 1498 CD GLU B 162 89.860 1.273 15.995 1.00 0.00 C ATOM 1499 OE1 GLU B 162 91.058 1.196 16.214 1.00 0.00 O ATOM 1500 OE2 GLU B 162 89.005 1.252 16.867 1.00 0.00 O1- ATOM 0 H GLU B 162 91.626 -0.897 11.927 1.00 0.00 H new ATOM 0 HA GLU B 162 88.832 0.137 12.473 1.00 0.00 H new ATOM 0 HB2 GLU B 162 91.161 0.219 14.123 1.00 0.00 H new ATOM 0 HB3 GLU B 162 91.147 1.778 13.324 1.00 0.00 H new ATOM 0 HG2 GLU B 162 89.140 2.437 14.323 1.00 0.00 H new ATOM 0 HG3 GLU B 162 88.503 0.805 14.379 1.00 0.00 H new ATOM 1507 N ALA B 163 89.075 1.393 10.370 1.00 0.00 N ATOM 1508 CA ALA B 163 89.204 2.259 9.164 1.00 0.00 C ATOM 1509 C ALA B 163 88.360 3.525 9.336 1.00 0.00 C ATOM 1510 O ALA B 163 87.440 3.566 10.129 1.00 0.00 O ATOM 1511 CB ALA B 163 88.677 1.413 8.006 1.00 0.00 C ATOM 0 H ALA B 163 88.148 0.996 10.522 1.00 0.00 H new ATOM 0 HA ALA B 163 90.231 2.581 8.993 1.00 0.00 H new ATOM 0 HB1 ALA B 163 88.740 1.984 7.080 1.00 0.00 H new ATOM 0 HB2 ALA B 163 89.276 0.507 7.915 1.00 0.00 H new ATOM 0 HB3 ALA B 163 87.638 1.143 8.196 1.00 0.00 H new ATOM 1517 N ARG B 164 88.665 4.557 8.599 1.00 0.00 N ATOM 1518 CA ARG B 164 87.877 5.817 8.723 1.00 0.00 C ATOM 1519 C ARG B 164 87.123 6.101 7.421 1.00 0.00 C ATOM 1520 O ARG B 164 87.440 5.551 6.386 1.00 0.00 O ATOM 1521 CB ARG B 164 88.916 6.907 8.991 1.00 0.00 C ATOM 1522 CG ARG B 164 89.493 6.725 10.397 1.00 0.00 C ATOM 1523 CD ARG B 164 88.426 7.075 11.435 1.00 0.00 C ATOM 1524 NE ARG B 164 89.183 7.310 12.697 1.00 0.00 N ATOM 1525 CZ ARG B 164 89.210 8.500 13.231 1.00 0.00 C ATOM 1526 NH1 ARG B 164 89.888 9.457 12.657 1.00 0.00 N1+ ATOM 1527 NH2 ARG B 164 88.560 8.734 14.337 1.00 0.00 N ATOM 0 H ARG B 164 89.424 4.583 7.918 1.00 0.00 H new ATOM 0 HA ARG B 164 87.130 5.761 9.515 1.00 0.00 H new ATOM 0 HB2 ARG B 164 89.713 6.855 8.249 1.00 0.00 H new ATOM 0 HB3 ARG B 164 88.458 7.892 8.899 1.00 0.00 H new ATOM 0 HG2 ARG B 164 89.826 5.696 10.535 1.00 0.00 H new ATOM 0 HG3 ARG B 164 90.367 7.363 10.529 1.00 0.00 H new ATOM 0 HD2 ARG B 164 87.864 7.961 11.141 1.00 0.00 H new ATOM 0 HD3 ARG B 164 87.706 6.265 11.551 1.00 0.00 H new ATOM 0 HE ARG B 164 89.680 6.540 13.144 1.00 0.00 H new ATOM 0 HH11 ARG B 164 90.396 9.274 11.792 1.00 0.00 H new ATOM 0 HH12 ARG B 164 89.910 10.388 13.074 1.00 0.00 H new ATOM 0 HH21 ARG B 164 88.030 7.986 14.785 1.00 0.00 H new ATOM 0 HH22 ARG B 164 88.581 9.665 14.754 1.00 0.00 H new ATOM 1541 N PRO B 165 86.142 6.955 7.524 1.00 0.00 N ATOM 1542 CA PRO B 165 85.325 7.325 6.344 1.00 0.00 C ATOM 1543 C PRO B 165 86.129 8.218 5.394 1.00 0.00 C ATOM 1544 O PRO B 165 86.913 9.043 5.818 1.00 0.00 O ATOM 1545 CB PRO B 165 84.152 8.091 6.945 1.00 0.00 C ATOM 1546 CG PRO B 165 84.665 8.623 8.246 1.00 0.00 C ATOM 1547 CD PRO B 165 85.705 7.652 8.740 1.00 0.00 C ATOM 0 HA PRO B 165 85.009 6.463 5.756 1.00 0.00 H new ATOM 0 HB2 PRO B 165 83.829 8.898 6.288 1.00 0.00 H new ATOM 0 HB3 PRO B 165 83.291 7.440 7.096 1.00 0.00 H new ATOM 0 HG2 PRO B 165 85.096 9.615 8.114 1.00 0.00 H new ATOM 0 HG3 PRO B 165 83.855 8.721 8.969 1.00 0.00 H new ATOM 0 HD2 PRO B 165 86.534 8.167 9.225 1.00 0.00 H new ATOM 0 HD3 PRO B 165 85.289 6.958 9.471 1.00 0.00 H new ATOM 1555 N LEU B 166 85.939 8.058 4.113 1.00 0.00 N ATOM 1556 CA LEU B 166 86.692 8.899 3.139 1.00 0.00 C ATOM 1557 C LEU B 166 86.270 10.364 3.273 1.00 0.00 C ATOM 1558 O LEU B 166 87.023 11.267 2.964 1.00 0.00 O ATOM 1559 CB LEU B 166 86.305 8.353 1.764 1.00 0.00 C ATOM 1560 CG LEU B 166 87.404 7.416 1.261 1.00 0.00 C ATOM 1561 CD1 LEU B 166 87.607 6.281 2.267 1.00 0.00 C ATOM 1562 CD2 LEU B 166 86.994 6.830 -0.091 1.00 0.00 C ATOM 0 H LEU B 166 85.296 7.383 3.699 1.00 0.00 H new ATOM 0 HA LEU B 166 87.769 8.861 3.304 1.00 0.00 H new ATOM 0 HB2 LEU B 166 85.357 7.819 1.826 1.00 0.00 H new ATOM 0 HB3 LEU B 166 86.162 9.174 1.062 1.00 0.00 H new ATOM 0 HG LEU B 166 88.334 7.974 1.150 1.00 0.00 H new ATOM 0 HD11 LEU B 166 88.390 5.613 1.909 1.00 0.00 H new ATOM 0 HD12 LEU B 166 87.898 6.697 3.231 1.00 0.00 H new ATOM 0 HD13 LEU B 166 86.677 5.723 2.379 1.00 0.00 H new ATOM 0 HD21 LEU B 166 87.777 6.162 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU B 166 86.064 6.272 0.021 1.00 0.00 H new ATOM 0 HD23 LEU B 166 86.849 7.638 -0.809 1.00 0.00 H new