USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 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 -68:sc= -0.508 USER MOD Set 1.2: B 143 CYS SG : rot 180:sc= -0.462 USER MOD Set 1.3: B 155 HIS : no HE2:sc= -3.47! C(o=-9.1!,f=-15!) USER MOD Set 1.4: B 161 HIS : no HD1:sc= -4.69! C(o=-9.1!,f=-13!) USER MOD Set 2.1: B 129 CYS SG : rot 24:sc= 0.363 USER MOD Set 2.2: B 132 CYS SG : rot 150:sc= 1.53 USER MOD Set 2.3: B 148 CYS SG : rot -52:sc= 1.17 USER MOD Set 2.4: B 151 CYS SG : rot 74:sc= 1.4 USER MOD Set 3.1: A 140 CYS SG : rot -179:sc= -1.47 USER MOD Set 3.2: A 143 CYS SG : rot 79:sc= 0.227 USER MOD Set 3.3: A 155 HIS : no HE2:sc= -1.19 K(o=-3,f=-4.1) USER MOD Set 3.4: A 161 HIS : no HD1:sc= -0.618 K(o=-3,f=-4.1!) USER MOD Set 4.1: A 129 CYS SG : rot -156:sc= -0.33 USER MOD Set 4.2: A 132 CYS SG : rot -140:sc= 0.683 USER MOD Set 4.3: A 148 CYS SG : rot -140:sc= 0.876 USER MOD Set 4.4: A 151 CYS SG : rot 90:sc= 0.925 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 -87:sc= 1.21 USER MOD Single : A 145 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.4) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) 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 -79:sc= -0.448 USER MOD Single : B 145 GLN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 156 GLN : amide:sc=-0.000723 X(o=-0.00072,f=0) USER MOD Single : B 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N ALA A 127 74.492 0.873 -10.106 1.00 0.00 N ATOM 137 CA ALA A 127 74.854 0.099 -8.884 1.00 0.00 C ATOM 138 C ALA A 127 75.596 0.993 -7.887 1.00 0.00 C ATOM 139 O ALA A 127 76.727 0.734 -7.530 1.00 0.00 O ATOM 140 CB ALA A 127 75.767 -1.021 -9.382 1.00 0.00 C ATOM 0 HA ALA A 127 73.976 -0.288 -8.367 1.00 0.00 H new ATOM 0 HB1 ALA A 127 76.078 -1.638 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 127 75.228 -1.636 -10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 127 76.646 -0.588 -9.859 1.00 0.00 H new ATOM 146 N VAL A 128 74.968 2.044 -7.436 1.00 0.00 N ATOM 147 CA VAL A 128 75.641 2.951 -6.462 1.00 0.00 C ATOM 148 C VAL A 128 74.614 3.551 -5.500 1.00 0.00 C ATOM 149 O VAL A 128 73.429 3.562 -5.768 1.00 0.00 O ATOM 150 CB VAL A 128 76.289 4.046 -7.306 1.00 0.00 C ATOM 151 CG1 VAL A 128 77.545 3.493 -7.978 1.00 0.00 C ATOM 152 CG2 VAL A 128 75.305 4.528 -8.372 1.00 0.00 C ATOM 0 H VAL A 128 74.020 2.314 -7.699 1.00 0.00 H new ATOM 0 HA VAL A 128 76.376 2.423 -5.854 1.00 0.00 H new ATOM 0 HB VAL A 128 76.559 4.885 -6.664 1.00 0.00 H new ATOM 0 HG11 VAL A 128 78.009 4.274 -8.581 1.00 0.00 H new ATOM 0 HG12 VAL A 128 78.248 3.158 -7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 128 77.275 2.653 -8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 128 75.772 5.309 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 128 75.028 3.693 -9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 128 74.412 4.926 -7.890 1.00 0.00 H new ATOM 162 N CYS A 129 75.064 4.045 -4.378 1.00 0.00 N ATOM 163 CA CYS A 129 74.119 4.644 -3.387 1.00 0.00 C ATOM 164 C CYS A 129 73.150 5.601 -4.079 1.00 0.00 C ATOM 165 O CYS A 129 73.465 6.198 -5.089 1.00 0.00 O ATOM 166 CB CYS A 129 75.007 5.404 -2.403 1.00 0.00 C ATOM 167 SG CYS A 129 74.031 5.879 -0.953 1.00 0.00 S ATOM 0 H CYS A 129 76.046 4.060 -4.103 1.00 0.00 H new ATOM 0 HA CYS A 129 73.512 3.886 -2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 129 75.849 4.781 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 129 75.423 6.291 -2.882 1.00 0.00 H new ATOM 0 HG CYS A 129 74.582 6.906 -0.377 1.00 0.00 H new ATOM 172 N THR A 130 71.971 5.754 -3.542 1.00 0.00 N ATOM 173 CA THR A 130 70.984 6.675 -4.168 1.00 0.00 C ATOM 174 C THR A 130 71.307 8.123 -3.796 1.00 0.00 C ATOM 175 O THR A 130 71.052 9.041 -4.550 1.00 0.00 O ATOM 176 CB THR A 130 69.628 6.259 -3.596 1.00 0.00 C ATOM 177 OG1 THR A 130 68.595 6.951 -4.283 1.00 0.00 O ATOM 178 CG2 THR A 130 69.570 6.603 -2.107 1.00 0.00 C ATOM 0 H THR A 130 71.650 5.281 -2.697 1.00 0.00 H new ATOM 0 HA THR A 130 70.997 6.617 -5.256 1.00 0.00 H new ATOM 0 HB THR A 130 69.495 5.185 -3.723 1.00 0.00 H new ATOM 0 HG1 THR A 130 67.725 6.685 -3.919 1.00 0.00 H new ATOM 0 HG21 THR A 130 68.603 6.305 -1.702 1.00 0.00 H new ATOM 0 HG22 THR A 130 70.363 6.072 -1.580 1.00 0.00 H new ATOM 0 HG23 THR A 130 69.703 7.677 -1.976 1.00 0.00 H new ATOM 186 N ARG A 131 71.870 8.334 -2.638 1.00 0.00 N ATOM 187 CA ARG A 131 72.213 9.722 -2.217 1.00 0.00 C ATOM 188 C ARG A 131 73.638 10.067 -2.660 1.00 0.00 C ATOM 189 O ARG A 131 73.872 11.070 -3.305 1.00 0.00 O ATOM 190 CB ARG A 131 72.114 9.707 -0.691 1.00 0.00 C ATOM 191 CG ARG A 131 72.467 11.091 -0.144 1.00 0.00 C ATOM 192 CD ARG A 131 72.216 11.121 1.365 1.00 0.00 C ATOM 193 NE ARG A 131 71.874 12.539 1.667 1.00 0.00 N ATOM 194 CZ ARG A 131 71.399 12.860 2.838 1.00 0.00 C ATOM 195 NH1 ARG A 131 70.307 12.295 3.276 1.00 0.00 N1+ ATOM 196 NH2 ARG A 131 72.015 13.748 3.572 1.00 0.00 N ATOM 0 H ARG A 131 72.107 7.605 -1.965 1.00 0.00 H new ATOM 0 HA ARG A 131 71.552 10.467 -2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 131 71.106 9.429 -0.384 1.00 0.00 H new ATOM 0 HB3 ARG A 131 72.790 8.958 -0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 131 73.511 11.322 -0.355 1.00 0.00 H new ATOM 0 HG3 ARG A 131 71.866 11.854 -0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 131 71.403 10.450 1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 131 73.098 10.800 1.919 1.00 0.00 H new ATOM 0 HE ARG A 131 72.011 13.259 0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 131 69.826 11.603 2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 131 69.935 12.546 4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 131 72.868 14.190 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 131 71.643 13.999 4.488 1.00 0.00 H new ATOM 210 N CYS A 132 74.591 9.241 -2.321 1.00 0.00 N ATOM 211 CA CYS A 132 75.998 9.521 -2.728 1.00 0.00 C ATOM 212 C CYS A 132 76.182 9.217 -4.217 1.00 0.00 C ATOM 213 O CYS A 132 77.055 9.756 -4.866 1.00 0.00 O ATOM 214 CB CYS A 132 76.852 8.581 -1.875 1.00 0.00 C ATOM 215 SG CYS A 132 76.369 8.736 -0.137 1.00 0.00 S ATOM 0 H CYS A 132 74.456 8.386 -1.781 1.00 0.00 H new ATOM 0 HA CYS A 132 76.275 10.565 -2.580 1.00 0.00 H new ATOM 0 HB2 CYS A 132 76.723 7.551 -2.209 1.00 0.00 H new ATOM 0 HB3 CYS A 132 77.908 8.824 -1.993 1.00 0.00 H new ATOM 0 HG CYS A 132 77.430 8.703 0.613 1.00 0.00 H new ATOM 220 N LYS A 133 75.361 8.358 -4.759 1.00 0.00 N ATOM 221 CA LYS A 133 75.471 8.011 -6.207 1.00 0.00 C ATOM 222 C LYS A 133 76.786 7.273 -6.490 1.00 0.00 C ATOM 223 O LYS A 133 77.194 7.124 -7.625 1.00 0.00 O ATOM 224 CB LYS A 133 75.373 9.365 -6.944 1.00 0.00 C ATOM 225 CG LYS A 133 76.728 9.821 -7.514 1.00 0.00 C ATOM 226 CD LYS A 133 76.835 9.397 -8.981 1.00 0.00 C ATOM 227 CE LYS A 133 78.311 9.276 -9.370 1.00 0.00 C ATOM 228 NZ LYS A 133 78.307 8.525 -10.657 1.00 0.00 N1+ ATOM 0 H LYS A 133 74.613 7.878 -4.258 1.00 0.00 H new ATOM 0 HA LYS A 133 74.689 7.329 -6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 133 74.650 9.283 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 133 74.997 10.123 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 133 76.824 10.903 -7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 133 77.543 9.383 -6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 133 76.328 8.444 -9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 133 76.338 10.128 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 133 78.771 10.257 -9.486 1.00 0.00 H new ATOM 0 HE3 LYS A 133 78.879 8.747 -8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 79.285 8.401 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 77.869 7.593 -10.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 77.764 9.056 -11.367 1.00 0.00 H new ATOM 242 N GLU A 134 77.450 6.798 -5.469 1.00 0.00 N ATOM 243 CA GLU A 134 78.729 6.063 -5.689 1.00 0.00 C ATOM 244 C GLU A 134 79.257 5.500 -4.368 1.00 0.00 C ATOM 245 O GLU A 134 78.637 5.633 -3.332 1.00 0.00 O ATOM 246 CB GLU A 134 79.698 7.106 -6.248 1.00 0.00 C ATOM 247 CG GLU A 134 79.963 8.178 -5.191 1.00 0.00 C ATOM 248 CD GLU A 134 80.934 9.218 -5.752 1.00 0.00 C ATOM 249 OE1 GLU A 134 82.130 9.025 -5.604 1.00 0.00 O ATOM 250 OE2 GLU A 134 80.465 10.192 -6.321 1.00 0.00 O1- ATOM 0 H GLU A 134 77.162 6.887 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 134 78.602 5.218 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 134 80.634 6.629 -6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 134 79.280 7.561 -7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 134 79.028 8.657 -4.901 1.00 0.00 H new ATOM 0 HG3 GLU A 134 80.380 7.723 -4.293 1.00 0.00 H new ATOM 257 N SER A 135 80.401 4.873 -4.399 1.00 0.00 N ATOM 258 CA SER A 135 80.983 4.301 -3.152 1.00 0.00 C ATOM 259 C SER A 135 79.979 3.365 -2.469 1.00 0.00 C ATOM 260 O SER A 135 79.834 3.371 -1.262 1.00 0.00 O ATOM 261 CB SER A 135 81.285 5.509 -2.264 1.00 0.00 C ATOM 262 OG SER A 135 82.511 6.100 -2.672 1.00 0.00 O ATOM 0 H SER A 135 80.961 4.732 -5.240 1.00 0.00 H new ATOM 0 HA SER A 135 81.876 3.708 -3.351 1.00 0.00 H new ATOM 0 HB2 SER A 135 80.477 6.237 -2.334 1.00 0.00 H new ATOM 0 HB3 SER A 135 81.347 5.201 -1.220 1.00 0.00 H new ATOM 0 HG SER A 135 83.255 5.662 -2.209 1.00 0.00 H new ATOM 268 N ALA A 136 79.288 2.558 -3.229 1.00 0.00 N ATOM 269 CA ALA A 136 78.300 1.621 -2.618 1.00 0.00 C ATOM 270 C ALA A 136 78.247 0.315 -3.416 1.00 0.00 C ATOM 271 O ALA A 136 78.324 0.313 -4.628 1.00 0.00 O ATOM 272 CB ALA A 136 76.960 2.351 -2.695 1.00 0.00 C ATOM 0 H ALA A 136 79.364 2.507 -4.245 1.00 0.00 H new ATOM 0 HA ALA A 136 78.561 1.357 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 136 76.179 1.725 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 136 77.023 3.287 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 136 76.721 2.563 -3.737 1.00 0.00 H new ATOM 278 N ASP A 137 78.114 -0.797 -2.745 1.00 0.00 N ATOM 279 CA ASP A 137 78.056 -2.102 -3.465 1.00 0.00 C ATOM 280 C ASP A 137 76.970 -2.993 -2.857 1.00 0.00 C ATOM 281 O ASP A 137 77.001 -4.201 -2.986 1.00 0.00 O ATOM 282 CB ASP A 137 79.435 -2.729 -3.264 1.00 0.00 C ATOM 283 CG ASP A 137 79.907 -3.357 -4.576 1.00 0.00 C ATOM 284 OD1 ASP A 137 79.179 -4.174 -5.114 1.00 0.00 O1- ATOM 285 OD2 ASP A 137 80.988 -3.010 -5.022 1.00 0.00 O ATOM 0 H ASP A 137 78.043 -0.858 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 137 77.814 -1.979 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 137 80.146 -1.971 -2.935 1.00 0.00 H new ATOM 0 HB3 ASP A 137 79.391 -3.486 -2.481 1.00 0.00 H new ATOM 290 N PHE A 138 76.011 -2.409 -2.192 1.00 0.00 N ATOM 291 CA PHE A 138 74.929 -3.229 -1.574 1.00 0.00 C ATOM 292 C PHE A 138 73.582 -2.511 -1.701 1.00 0.00 C ATOM 293 O PHE A 138 73.511 -1.299 -1.702 1.00 0.00 O ATOM 294 CB PHE A 138 75.326 -3.365 -0.104 1.00 0.00 C ATOM 295 CG PHE A 138 76.075 -4.660 0.096 1.00 0.00 C ATOM 296 CD1 PHE A 138 75.377 -5.832 0.409 1.00 0.00 C ATOM 297 CD2 PHE A 138 77.470 -4.689 -0.030 1.00 0.00 C ATOM 298 CE1 PHE A 138 76.071 -7.033 0.595 1.00 0.00 C ATOM 299 CE2 PHE A 138 78.164 -5.891 0.155 1.00 0.00 C ATOM 300 CZ PHE A 138 77.465 -7.062 0.469 1.00 0.00 C ATOM 0 H PHE A 138 75.929 -1.402 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 138 74.819 -4.199 -2.059 1.00 0.00 H new ATOM 0 HB2 PHE A 138 75.949 -2.522 0.195 1.00 0.00 H new ATOM 0 HB3 PHE A 138 74.438 -3.345 0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 138 74.302 -5.810 0.507 1.00 0.00 H new ATOM 0 HD2 PHE A 138 78.010 -3.785 -0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 138 75.531 -7.937 0.836 1.00 0.00 H new ATOM 0 HE2 PHE A 138 79.239 -5.914 0.055 1.00 0.00 H new ATOM 0 HZ PHE A 138 78.001 -7.988 0.614 1.00 0.00 H new ATOM 310 N TRP A 139 72.513 -3.252 -1.804 1.00 0.00 N ATOM 311 CA TRP A 139 71.171 -2.613 -1.928 1.00 0.00 C ATOM 312 C TRP A 139 70.142 -3.377 -1.089 1.00 0.00 C ATOM 313 O TRP A 139 70.144 -4.592 -1.041 1.00 0.00 O ATOM 314 CB TRP A 139 70.826 -2.696 -3.416 1.00 0.00 C ATOM 315 CG TRP A 139 69.882 -3.831 -3.650 1.00 0.00 C ATOM 316 CD1 TRP A 139 68.539 -3.768 -3.501 1.00 0.00 C ATOM 317 CD2 TRP A 139 70.184 -5.193 -4.072 1.00 0.00 C ATOM 318 NE1 TRP A 139 67.997 -5.003 -3.804 1.00 0.00 N ATOM 319 CE2 TRP A 139 68.970 -5.915 -4.162 1.00 0.00 C ATOM 320 CE3 TRP A 139 71.379 -5.864 -4.384 1.00 0.00 C ATOM 321 CZ2 TRP A 139 68.944 -7.256 -4.546 1.00 0.00 C ATOM 322 CZ3 TRP A 139 71.356 -7.214 -4.771 1.00 0.00 C ATOM 323 CH2 TRP A 139 70.141 -7.909 -4.852 1.00 0.00 C ATOM 0 H TRP A 139 72.510 -4.272 -1.808 1.00 0.00 H new ATOM 0 HA TRP A 139 71.168 -1.584 -1.569 1.00 0.00 H new ATOM 0 HB2 TRP A 139 70.375 -1.761 -3.748 1.00 0.00 H new ATOM 0 HB3 TRP A 139 71.734 -2.838 -4.003 1.00 0.00 H new ATOM 0 HD1 TRP A 139 67.981 -2.895 -3.195 1.00 0.00 H new ATOM 0 HE1 TRP A 139 67.000 -5.215 -3.768 1.00 0.00 H new ATOM 0 HE3 TRP A 139 72.321 -5.338 -4.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 68.005 -7.786 -4.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 72.280 -7.720 -5.008 1.00 0.00 H new ATOM 0 HH2 TRP A 139 70.130 -8.947 -5.150 1.00 0.00 H new ATOM 334 N CYS A 140 69.262 -2.674 -0.428 1.00 0.00 N ATOM 335 CA CYS A 140 68.234 -3.359 0.408 1.00 0.00 C ATOM 336 C CYS A 140 67.172 -4.010 -0.482 1.00 0.00 C ATOM 337 O CYS A 140 66.659 -3.401 -1.400 1.00 0.00 O ATOM 338 CB CYS A 140 67.614 -2.250 1.259 1.00 0.00 C ATOM 339 SG CYS A 140 68.170 -2.424 2.973 1.00 0.00 S ATOM 0 H CYS A 140 69.210 -1.655 -0.431 1.00 0.00 H new ATOM 0 HA CYS A 140 68.663 -4.153 1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 140 67.902 -1.274 0.869 1.00 0.00 H new ATOM 0 HB3 CYS A 140 66.526 -2.305 1.211 1.00 0.00 H new ATOM 0 HG CYS A 140 67.622 -1.498 3.703 1.00 0.00 H new ATOM 344 N PHE A 141 66.835 -5.242 -0.215 1.00 0.00 N ATOM 345 CA PHE A 141 65.804 -5.930 -1.044 1.00 0.00 C ATOM 346 C PHE A 141 64.428 -5.307 -0.795 1.00 0.00 C ATOM 347 O PHE A 141 63.635 -5.147 -1.702 1.00 0.00 O ATOM 348 CB PHE A 141 65.829 -7.386 -0.579 1.00 0.00 C ATOM 349 CG PHE A 141 64.428 -7.947 -0.598 1.00 0.00 C ATOM 350 CD1 PHE A 141 63.762 -8.124 -1.817 1.00 0.00 C ATOM 351 CD2 PHE A 141 63.795 -8.291 0.602 1.00 0.00 C ATOM 352 CE1 PHE A 141 62.463 -8.646 -1.836 1.00 0.00 C ATOM 353 CE2 PHE A 141 62.495 -8.812 0.584 1.00 0.00 C ATOM 354 CZ PHE A 141 61.829 -8.989 -0.635 1.00 0.00 C ATOM 0 H PHE A 141 67.229 -5.802 0.541 1.00 0.00 H new ATOM 0 HA PHE A 141 66.004 -5.842 -2.112 1.00 0.00 H new ATOM 0 HB2 PHE A 141 66.476 -7.975 -1.229 1.00 0.00 H new ATOM 0 HB3 PHE A 141 66.244 -7.450 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 141 64.250 -7.858 -2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 141 64.309 -8.155 1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 141 61.950 -8.784 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 141 62.006 -9.077 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 141 60.826 -9.390 -0.649 1.00 0.00 H new ATOM 364 N GLU A 142 64.139 -4.950 0.427 1.00 0.00 N ATOM 365 CA GLU A 142 62.814 -4.336 0.730 1.00 0.00 C ATOM 366 C GLU A 142 62.780 -2.888 0.231 1.00 0.00 C ATOM 367 O GLU A 142 61.882 -2.488 -0.483 1.00 0.00 O ATOM 368 CB GLU A 142 62.695 -4.380 2.253 1.00 0.00 C ATOM 369 CG GLU A 142 61.551 -5.316 2.647 1.00 0.00 C ATOM 370 CD GLU A 142 61.888 -6.004 3.971 1.00 0.00 C ATOM 371 OE1 GLU A 142 61.844 -5.336 4.991 1.00 0.00 O ATOM 372 OE2 GLU A 142 62.184 -7.187 3.943 1.00 0.00 O1- ATOM 0 H GLU A 142 64.762 -5.057 1.228 1.00 0.00 H new ATOM 0 HA GLU A 142 61.993 -4.862 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 142 63.631 -4.727 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 142 62.511 -3.379 2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 142 60.623 -4.753 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 142 61.392 -6.061 1.868 1.00 0.00 H new ATOM 379 N CYS A 143 63.753 -2.100 0.602 1.00 0.00 N ATOM 380 CA CYS A 143 63.777 -0.679 0.148 1.00 0.00 C ATOM 381 C CYS A 143 64.152 -0.599 -1.335 1.00 0.00 C ATOM 382 O CYS A 143 63.930 0.402 -1.986 1.00 0.00 O ATOM 383 CB CYS A 143 64.847 -0.007 1.008 1.00 0.00 C ATOM 384 SG CYS A 143 64.449 -0.238 2.758 1.00 0.00 S ATOM 0 H CYS A 143 64.532 -2.378 1.199 1.00 0.00 H new ATOM 0 HA CYS A 143 62.805 -0.197 0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 143 65.826 -0.433 0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 143 64.902 1.056 0.774 1.00 0.00 H new ATOM 0 HG CYS A 143 64.790 -1.437 3.126 1.00 0.00 H new ATOM 389 N GLU A 144 64.717 -1.646 -1.875 1.00 0.00 N ATOM 390 CA GLU A 144 65.104 -1.627 -3.316 1.00 0.00 C ATOM 391 C GLU A 144 66.003 -0.423 -3.611 1.00 0.00 C ATOM 392 O GLU A 144 65.975 0.134 -4.690 1.00 0.00 O ATOM 393 CB GLU A 144 63.784 -1.511 -4.080 1.00 0.00 C ATOM 394 CG GLU A 144 62.864 -2.668 -3.688 1.00 0.00 C ATOM 395 CD GLU A 144 61.890 -2.955 -4.831 1.00 0.00 C ATOM 396 OE1 GLU A 144 62.356 -3.192 -5.933 1.00 0.00 O1- ATOM 397 OE2 GLU A 144 60.695 -2.933 -4.585 1.00 0.00 O ATOM 0 H GLU A 144 64.927 -2.513 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 144 65.665 -2.517 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 144 63.304 -0.559 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 144 63.970 -1.528 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 144 63.454 -3.557 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 144 62.313 -2.418 -2.781 1.00 0.00 H new ATOM 404 N GLN A 145 66.803 -0.019 -2.662 1.00 0.00 N ATOM 405 CA GLN A 145 67.704 1.147 -2.894 1.00 0.00 C ATOM 406 C GLN A 145 69.151 0.769 -2.569 1.00 0.00 C ATOM 407 O GLN A 145 69.410 -0.197 -1.879 1.00 0.00 O ATOM 408 CB GLN A 145 67.204 2.231 -1.939 1.00 0.00 C ATOM 409 CG GLN A 145 67.602 1.873 -0.507 1.00 0.00 C ATOM 410 CD GLN A 145 66.943 2.854 0.464 1.00 0.00 C ATOM 411 OE1 GLN A 145 66.595 2.492 1.570 1.00 0.00 O ATOM 412 NE2 GLN A 145 66.756 4.092 0.095 1.00 0.00 N ATOM 0 H GLN A 145 66.872 -0.445 -1.738 1.00 0.00 H new ATOM 0 HA GLN A 145 67.689 1.481 -3.931 1.00 0.00 H new ATOM 0 HB2 GLN A 145 67.627 3.197 -2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 145 66.121 2.325 -2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 145 67.294 0.853 -0.276 1.00 0.00 H new ATOM 0 HG3 GLN A 145 68.686 1.910 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 145 67.048 4.397 -0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 145 66.318 4.754 0.735 1.00 0.00 H new ATOM 421 N LEU A 146 70.096 1.520 -3.064 1.00 0.00 N ATOM 422 CA LEU A 146 71.525 1.202 -2.786 1.00 0.00 C ATOM 423 C LEU A 146 72.059 2.095 -1.664 1.00 0.00 C ATOM 424 O LEU A 146 71.640 3.225 -1.505 1.00 0.00 O ATOM 425 CB LEU A 146 72.256 1.490 -4.096 1.00 0.00 C ATOM 426 CG LEU A 146 71.703 0.585 -5.198 1.00 0.00 C ATOM 427 CD1 LEU A 146 71.140 1.445 -6.331 1.00 0.00 C ATOM 428 CD2 LEU A 146 72.826 -0.303 -5.739 1.00 0.00 C ATOM 0 H LEU A 146 69.940 2.341 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 146 71.663 0.171 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 146 72.130 2.537 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 146 73.326 1.319 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 146 70.909 -0.041 -4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 146 70.746 0.800 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 146 70.340 2.077 -5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 146 71.932 2.072 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 146 72.433 -0.948 -6.524 1.00 0.00 H new ATOM 0 HD22 LEU A 146 73.620 0.323 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 146 73.226 -0.916 -4.932 1.00 0.00 H new ATOM 440 N LEU A 147 72.978 1.597 -0.884 1.00 0.00 N ATOM 441 CA LEU A 147 73.538 2.417 0.230 1.00 0.00 C ATOM 442 C LEU A 147 75.058 2.245 0.297 1.00 0.00 C ATOM 443 O LEU A 147 75.573 1.151 0.179 1.00 0.00 O ATOM 444 CB LEU A 147 72.881 1.867 1.497 1.00 0.00 C ATOM 445 CG LEU A 147 71.359 1.976 1.376 1.00 0.00 C ATOM 446 CD1 LEU A 147 70.703 1.271 2.565 1.00 0.00 C ATOM 447 CD2 LEU A 147 70.950 3.449 1.367 1.00 0.00 C ATOM 0 H LEU A 147 73.366 0.658 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 147 73.342 3.481 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 147 73.170 0.827 1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 147 73.227 2.422 2.369 1.00 0.00 H new ATOM 0 HG LEU A 147 71.034 1.505 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 147 69.619 1.348 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 147 70.993 0.220 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 147 71.029 1.742 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 147 69.866 3.525 1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 147 71.274 3.922 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 147 71.417 3.951 0.520 1.00 0.00 H new ATOM 459 N CYS A 148 75.779 3.315 0.490 1.00 0.00 N ATOM 460 CA CYS A 148 77.264 3.206 0.567 1.00 0.00 C ATOM 461 C CYS A 148 77.681 2.643 1.928 1.00 0.00 C ATOM 462 O CYS A 148 76.868 2.471 2.814 1.00 0.00 O ATOM 463 CB CYS A 148 77.779 4.636 0.393 1.00 0.00 C ATOM 464 SG CYS A 148 77.180 5.663 1.758 1.00 0.00 S ATOM 0 H CYS A 148 75.406 4.258 0.598 1.00 0.00 H new ATOM 0 HA CYS A 148 77.669 2.536 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 148 78.869 4.641 0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 148 77.439 5.043 -0.559 1.00 0.00 H new ATOM 0 HG CYS A 148 76.831 6.829 1.303 1.00 0.00 H new ATOM 469 N ALA A 149 78.941 2.354 2.101 1.00 0.00 N ATOM 470 CA ALA A 149 79.409 1.799 3.405 1.00 0.00 C ATOM 471 C ALA A 149 78.907 2.665 4.563 1.00 0.00 C ATOM 472 O ALA A 149 78.672 2.185 5.654 1.00 0.00 O ATOM 473 CB ALA A 149 80.935 1.840 3.328 1.00 0.00 C ATOM 0 H ALA A 149 79.668 2.478 1.396 1.00 0.00 H new ATOM 0 HA ALA A 149 79.036 0.790 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 149 81.357 1.447 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 149 81.273 1.233 2.488 1.00 0.00 H new ATOM 0 HB3 ALA A 149 81.265 2.869 3.188 1.00 0.00 H new ATOM 479 N LYS A 150 78.744 3.940 4.337 1.00 0.00 N ATOM 480 CA LYS A 150 78.263 4.836 5.427 1.00 0.00 C ATOM 481 C LYS A 150 76.764 4.633 5.666 1.00 0.00 C ATOM 482 O LYS A 150 76.276 4.791 6.767 1.00 0.00 O ATOM 483 CB LYS A 150 78.538 6.252 4.922 1.00 0.00 C ATOM 484 CG LYS A 150 78.648 7.204 6.113 1.00 0.00 C ATOM 485 CD LYS A 150 77.822 8.461 5.835 1.00 0.00 C ATOM 486 CE LYS A 150 78.445 9.233 4.670 1.00 0.00 C ATOM 487 NZ LYS A 150 77.287 9.808 3.930 1.00 0.00 N1+ ATOM 0 H LYS A 150 78.923 4.400 3.444 1.00 0.00 H new ATOM 0 HA LYS A 150 78.762 4.634 6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 150 79.460 6.270 4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 150 77.737 6.575 4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 150 78.291 6.714 7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 150 79.691 7.471 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 150 76.794 8.188 5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 150 77.786 9.090 6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 150 79.114 10.016 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 150 79.036 8.576 4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 77.632 10.353 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 76.672 9.039 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 76.748 10.434 4.562 1.00 0.00 H new ATOM 501 N CYS A 151 76.030 4.286 4.645 1.00 0.00 N ATOM 502 CA CYS A 151 74.564 4.077 4.818 1.00 0.00 C ATOM 503 C CYS A 151 74.269 2.602 5.103 1.00 0.00 C ATOM 504 O CYS A 151 73.405 2.273 5.893 1.00 0.00 O ATOM 505 CB CYS A 151 73.944 4.501 3.486 1.00 0.00 C ATOM 506 SG CYS A 151 74.135 6.288 3.272 1.00 0.00 S ATOM 0 H CYS A 151 76.381 4.138 3.699 1.00 0.00 H new ATOM 0 HA CYS A 151 74.161 4.648 5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 151 74.426 3.972 2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 151 72.888 4.232 3.462 1.00 0.00 H new ATOM 0 HG CYS A 151 75.256 6.535 2.662 1.00 0.00 H new ATOM 511 N PHE A 152 74.978 1.712 4.466 1.00 0.00 N ATOM 512 CA PHE A 152 74.737 0.260 4.701 1.00 0.00 C ATOM 513 C PHE A 152 74.992 -0.088 6.171 1.00 0.00 C ATOM 514 O PHE A 152 74.229 -0.803 6.791 1.00 0.00 O ATOM 515 CB PHE A 152 75.741 -0.456 3.796 1.00 0.00 C ATOM 516 CG PHE A 152 75.672 -1.946 4.038 1.00 0.00 C ATOM 517 CD1 PHE A 152 74.470 -2.535 4.449 1.00 0.00 C ATOM 518 CD2 PHE A 152 76.811 -2.737 3.850 1.00 0.00 C ATOM 519 CE1 PHE A 152 74.408 -3.916 4.672 1.00 0.00 C ATOM 520 CE2 PHE A 152 76.749 -4.117 4.073 1.00 0.00 C ATOM 521 CZ PHE A 152 75.548 -4.707 4.484 1.00 0.00 C ATOM 0 H PHE A 152 75.714 1.927 3.793 1.00 0.00 H new ATOM 0 HA PHE A 152 73.710 -0.031 4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 152 75.524 -0.237 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A 152 76.749 -0.092 3.995 1.00 0.00 H new ATOM 0 HD1 PHE A 152 73.591 -1.924 4.594 1.00 0.00 H new ATOM 0 HD2 PHE A 152 77.738 -2.282 3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 152 73.481 -4.371 4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 152 77.628 -4.727 3.928 1.00 0.00 H new ATOM 0 HZ PHE A 152 75.501 -5.772 4.656 1.00 0.00 H new ATOM 531 N GLU A 153 76.058 0.414 6.732 1.00 0.00 N ATOM 532 CA GLU A 153 76.359 0.114 8.161 1.00 0.00 C ATOM 533 C GLU A 153 75.223 0.615 9.058 1.00 0.00 C ATOM 534 O GLU A 153 74.746 -0.091 9.924 1.00 0.00 O ATOM 535 CB GLU A 153 77.653 0.872 8.460 1.00 0.00 C ATOM 536 CG GLU A 153 78.637 -0.057 9.175 1.00 0.00 C ATOM 537 CD GLU A 153 78.459 0.077 10.689 1.00 0.00 C ATOM 538 OE1 GLU A 153 78.389 1.201 11.159 1.00 0.00 O ATOM 539 OE2 GLU A 153 78.399 -0.946 11.351 1.00 0.00 O1- ATOM 0 H GLU A 153 76.733 1.018 6.263 1.00 0.00 H new ATOM 0 HA GLU A 153 76.461 -0.955 8.346 1.00 0.00 H new ATOM 0 HB2 GLU A 153 78.093 1.241 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 153 77.442 1.742 9.081 1.00 0.00 H new ATOM 0 HG2 GLU A 153 78.467 -1.089 8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 153 79.660 0.195 8.895 1.00 0.00 H new ATOM 546 N ALA A 154 74.786 1.828 8.855 1.00 0.00 N ATOM 547 CA ALA A 154 73.680 2.371 9.696 1.00 0.00 C ATOM 548 C ALA A 154 72.433 1.493 9.560 1.00 0.00 C ATOM 549 O ALA A 154 71.707 1.277 10.510 1.00 0.00 O ATOM 550 CB ALA A 154 73.413 3.771 9.144 1.00 0.00 C ATOM 0 H ALA A 154 75.146 2.466 8.145 1.00 0.00 H new ATOM 0 HA ALA A 154 73.939 2.393 10.755 1.00 0.00 H new ATOM 0 HB1 ALA A 154 72.609 4.239 9.712 1.00 0.00 H new ATOM 0 HB2 ALA A 154 74.317 4.374 9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 154 73.123 3.700 8.096 1.00 0.00 H new ATOM 556 N HIS A 155 72.178 0.985 8.385 1.00 0.00 N ATOM 557 CA HIS A 155 70.977 0.122 8.192 1.00 0.00 C ATOM 558 C HIS A 155 71.087 -1.139 9.052 1.00 0.00 C ATOM 559 O HIS A 155 70.205 -1.450 9.828 1.00 0.00 O ATOM 560 CB HIS A 155 70.984 -0.243 6.707 1.00 0.00 C ATOM 561 CG HIS A 155 69.601 -0.069 6.139 1.00 0.00 C ATOM 562 ND1 HIS A 155 69.019 1.178 5.982 1.00 0.00 N ATOM 563 CD2 HIS A 155 68.675 -0.976 5.686 1.00 0.00 C ATOM 564 CE1 HIS A 155 67.795 0.991 5.455 1.00 0.00 C ATOM 565 NE2 HIS A 155 67.535 -0.304 5.254 1.00 0.00 N ATOM 0 H HIS A 155 72.748 1.130 7.552 1.00 0.00 H new ATOM 0 HA HIS A 155 70.056 0.627 8.484 1.00 0.00 H new ATOM 0 HB2 HIS A 155 71.691 0.389 6.170 1.00 0.00 H new ATOM 0 HB3 HIS A 155 71.315 -1.273 6.577 1.00 0.00 H new ATOM 0 HD1 HIS A 155 69.441 2.075 6.222 1.00 0.00 H new ATOM 0 HD2 HIS A 155 68.810 -2.047 5.668 1.00 0.00 H new ATOM 0 HE1 HIS A 155 67.107 1.790 5.223 1.00 0.00 H new ATOM 573 N GLN A 156 72.162 -1.868 8.921 1.00 0.00 N ATOM 574 CA GLN A 156 72.325 -3.109 9.732 1.00 0.00 C ATOM 575 C GLN A 156 72.689 -2.762 11.180 1.00 0.00 C ATOM 576 O GLN A 156 72.595 -3.589 12.065 1.00 0.00 O ATOM 577 CB GLN A 156 73.468 -3.873 9.061 1.00 0.00 C ATOM 578 CG GLN A 156 73.227 -5.377 9.204 1.00 0.00 C ATOM 579 CD GLN A 156 73.206 -6.024 7.818 1.00 0.00 C ATOM 580 OE1 GLN A 156 74.119 -6.739 7.456 1.00 0.00 O ATOM 581 NE2 GLN A 156 72.197 -5.800 7.022 1.00 0.00 N ATOM 0 H GLN A 156 72.934 -1.658 8.288 1.00 0.00 H new ATOM 0 HA GLN A 156 71.407 -3.695 9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 156 73.532 -3.602 8.007 1.00 0.00 H new ATOM 0 HB3 GLN A 156 74.419 -3.601 9.518 1.00 0.00 H new ATOM 0 HG2 GLN A 156 74.011 -5.825 9.815 1.00 0.00 H new ATOM 0 HG3 GLN A 156 72.282 -5.558 9.716 1.00 0.00 H new ATOM 0 HE21 GLN A 156 71.431 -5.200 7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 156 72.174 -6.225 6.095 1.00 0.00 H new ATOM 590 N TRP A 157 73.105 -1.550 11.430 1.00 0.00 N ATOM 591 CA TRP A 157 73.473 -1.163 12.822 1.00 0.00 C ATOM 592 C TRP A 157 72.262 -0.566 13.543 1.00 0.00 C ATOM 593 O TRP A 157 72.023 -0.836 14.704 1.00 0.00 O ATOM 594 CB TRP A 157 74.572 -0.112 12.663 1.00 0.00 C ATOM 595 CG TRP A 157 75.178 0.187 13.997 1.00 0.00 C ATOM 596 CD1 TRP A 157 74.643 1.011 14.926 1.00 0.00 C ATOM 597 CD2 TRP A 157 76.421 -0.321 14.565 1.00 0.00 C ATOM 598 NE1 TRP A 157 75.478 1.042 16.029 1.00 0.00 N ATOM 599 CE2 TRP A 157 76.587 0.239 15.855 1.00 0.00 C ATOM 600 CE3 TRP A 157 77.409 -1.202 14.092 1.00 0.00 C ATOM 601 CZ2 TRP A 157 77.695 -0.066 16.646 1.00 0.00 C ATOM 602 CZ3 TRP A 157 78.525 -1.511 14.887 1.00 0.00 C ATOM 603 CH2 TRP A 157 78.668 -0.944 16.161 1.00 0.00 C ATOM 0 H TRP A 157 73.206 -0.813 10.732 1.00 0.00 H new ATOM 0 HA TRP A 157 73.806 -2.016 13.413 1.00 0.00 H new ATOM 0 HB2 TRP A 157 75.338 -0.474 11.977 1.00 0.00 H new ATOM 0 HB3 TRP A 157 74.159 0.798 12.228 1.00 0.00 H new ATOM 0 HD1 TRP A 157 73.716 1.556 14.824 1.00 0.00 H new ATOM 0 HE1 TRP A 157 75.296 1.592 16.869 1.00 0.00 H new ATOM 0 HE3 TRP A 157 77.309 -1.644 13.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 77.800 0.374 17.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 79.278 -2.190 14.514 1.00 0.00 H new ATOM 0 HH2 TRP A 157 79.529 -1.185 16.767 1.00 0.00 H new ATOM 614 N PHE A 158 71.495 0.243 12.864 1.00 0.00 N ATOM 615 CA PHE A 158 70.300 0.857 13.511 1.00 0.00 C ATOM 616 C PHE A 158 69.142 -0.144 13.548 1.00 0.00 C ATOM 617 O PHE A 158 68.383 -0.196 14.495 1.00 0.00 O ATOM 618 CB PHE A 158 69.944 2.054 12.630 1.00 0.00 C ATOM 619 CG PHE A 158 69.143 3.052 13.432 1.00 0.00 C ATOM 620 CD1 PHE A 158 69.719 3.684 14.541 1.00 0.00 C ATOM 621 CD2 PHE A 158 67.823 3.344 13.067 1.00 0.00 C ATOM 622 CE1 PHE A 158 68.975 4.608 15.285 1.00 0.00 C ATOM 623 CE2 PHE A 158 67.080 4.268 13.811 1.00 0.00 C ATOM 624 CZ PHE A 158 67.655 4.900 14.920 1.00 0.00 C ATOM 0 H PHE A 158 71.644 0.505 11.890 1.00 0.00 H new ATOM 0 HA PHE A 158 70.496 1.152 14.542 1.00 0.00 H new ATOM 0 HB2 PHE A 158 70.852 2.522 12.251 1.00 0.00 H new ATOM 0 HB3 PHE A 158 69.370 1.723 11.764 1.00 0.00 H new ATOM 0 HD1 PHE A 158 70.737 3.459 14.822 1.00 0.00 H new ATOM 0 HD2 PHE A 158 67.378 2.857 12.212 1.00 0.00 H new ATOM 0 HE1 PHE A 158 69.419 5.095 16.140 1.00 0.00 H new ATOM 0 HE2 PHE A 158 66.062 4.494 13.529 1.00 0.00 H new ATOM 0 HZ PHE A 158 67.081 5.612 15.494 1.00 0.00 H new ATOM 634 N LEU A 159 68.999 -0.937 12.521 1.00 0.00 N ATOM 635 CA LEU A 159 67.889 -1.932 12.495 1.00 0.00 C ATOM 636 C LEU A 159 68.316 -3.188 11.730 1.00 0.00 C ATOM 637 O LEU A 159 69.412 -3.270 11.215 1.00 0.00 O ATOM 638 CB LEU A 159 66.734 -1.228 11.777 1.00 0.00 C ATOM 639 CG LEU A 159 67.207 -0.688 10.422 1.00 0.00 C ATOM 640 CD1 LEU A 159 67.215 -1.820 9.393 1.00 0.00 C ATOM 641 CD2 LEU A 159 66.256 0.415 9.956 1.00 0.00 C ATOM 0 H LEU A 159 69.603 -0.939 11.699 1.00 0.00 H new ATOM 0 HA LEU A 159 67.606 -2.255 13.497 1.00 0.00 H new ATOM 0 HB2 LEU A 159 65.908 -1.924 11.632 1.00 0.00 H new ATOM 0 HB3 LEU A 159 66.358 -0.410 12.392 1.00 0.00 H new ATOM 0 HG LEU A 159 68.214 -0.284 10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 159 67.551 -1.434 8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 159 67.891 -2.608 9.724 1.00 0.00 H new ATOM 0 HD13 LEU A 159 66.208 -2.225 9.290 1.00 0.00 H new ATOM 0 HD21 LEU A 159 66.590 0.801 8.993 1.00 0.00 H new ATOM 0 HD22 LEU A 159 65.250 0.009 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 159 66.249 1.223 10.688 1.00 0.00 H new ATOM 653 N LYS A 160 67.458 -4.170 11.655 1.00 0.00 N ATOM 654 CA LYS A 160 67.817 -5.419 10.924 1.00 0.00 C ATOM 655 C LYS A 160 67.114 -5.458 9.564 1.00 0.00 C ATOM 656 O LYS A 160 65.904 -5.523 9.483 1.00 0.00 O ATOM 657 CB LYS A 160 67.321 -6.557 11.816 1.00 0.00 C ATOM 658 CG LYS A 160 68.278 -6.734 12.997 1.00 0.00 C ATOM 659 CD LYS A 160 68.430 -8.223 13.311 1.00 0.00 C ATOM 660 CE LYS A 160 68.229 -8.453 14.810 1.00 0.00 C ATOM 661 NZ LYS A 160 68.510 -9.901 15.016 1.00 0.00 N1+ ATOM 0 H LYS A 160 66.525 -4.161 12.068 1.00 0.00 H new ATOM 0 HA LYS A 160 68.887 -5.490 10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 160 66.316 -6.338 12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 160 67.259 -7.482 11.243 1.00 0.00 H new ATOM 0 HG2 LYS A 160 69.250 -6.300 12.760 1.00 0.00 H new ATOM 0 HG3 LYS A 160 67.897 -6.204 13.870 1.00 0.00 H new ATOM 0 HD2 LYS A 160 67.701 -8.801 12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 160 69.418 -8.570 13.009 1.00 0.00 H new ATOM 0 HE2 LYS A 160 68.904 -7.832 15.399 1.00 0.00 H new ATOM 0 HE3 LYS A 160 67.214 -8.200 15.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 68.393 -10.138 16.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 67.848 -10.467 14.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 69.485 -10.111 14.722 1.00 0.00 H new ATOM 675 N HIS A 161 67.864 -5.418 8.498 1.00 0.00 N ATOM 676 CA HIS A 161 67.239 -5.451 7.145 1.00 0.00 C ATOM 677 C HIS A 161 67.944 -6.483 6.260 1.00 0.00 C ATOM 678 O HIS A 161 69.112 -6.769 6.432 1.00 0.00 O ATOM 679 CB HIS A 161 67.437 -4.043 6.584 1.00 0.00 C ATOM 680 CG HIS A 161 66.126 -3.521 6.063 1.00 0.00 C ATOM 681 ND1 HIS A 161 65.169 -2.966 6.897 1.00 0.00 N ATOM 682 CD2 HIS A 161 65.599 -3.463 4.796 1.00 0.00 C ATOM 683 CE1 HIS A 161 64.125 -2.602 6.129 1.00 0.00 C ATOM 684 NE2 HIS A 161 64.336 -2.883 4.841 1.00 0.00 N ATOM 0 H HIS A 161 68.883 -5.364 8.505 1.00 0.00 H new ATOM 0 HA HIS A 161 66.187 -5.732 7.184 1.00 0.00 H new ATOM 0 HB2 HIS A 161 67.821 -3.381 7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 161 68.178 -4.060 5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 161 66.091 -3.814 3.901 1.00 0.00 H new ATOM 0 HE1 HIS A 161 63.226 -2.139 6.509 1.00 0.00 H new ATOM 0 HE2 HIS A 161 63.706 -2.709 4.058 1.00 0.00 H new ATOM 692 N GLU A 162 67.242 -7.042 5.313 1.00 0.00 N ATOM 693 CA GLU A 162 67.870 -8.053 4.416 1.00 0.00 C ATOM 694 C GLU A 162 68.462 -7.365 3.182 1.00 0.00 C ATOM 695 O GLU A 162 67.746 -6.913 2.310 1.00 0.00 O ATOM 696 CB GLU A 162 66.731 -8.992 4.015 1.00 0.00 C ATOM 697 CG GLU A 162 66.720 -10.204 4.948 1.00 0.00 C ATOM 698 CD GLU A 162 65.351 -10.316 5.622 1.00 0.00 C ATOM 699 OE1 GLU A 162 64.949 -9.358 6.261 1.00 0.00 O1- ATOM 700 OE2 GLU A 162 64.729 -11.355 5.486 1.00 0.00 O ATOM 0 H GLU A 162 66.260 -6.842 5.121 1.00 0.00 H new ATOM 0 HA GLU A 162 68.684 -8.590 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 162 65.777 -8.468 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 162 66.858 -9.316 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 162 66.935 -11.112 4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 162 67.501 -10.104 5.702 1.00 0.00 H new ATOM 707 N ALA A 163 69.761 -7.280 3.103 1.00 0.00 N ATOM 708 CA ALA A 163 70.395 -6.619 1.927 1.00 0.00 C ATOM 709 C ALA A 163 71.236 -7.627 1.140 1.00 0.00 C ATOM 710 O ALA A 163 71.672 -8.631 1.665 1.00 0.00 O ATOM 711 CB ALA A 163 71.284 -5.526 2.519 1.00 0.00 C ATOM 0 H ALA A 163 70.411 -7.640 3.802 1.00 0.00 H new ATOM 0 HA ALA A 163 69.657 -6.214 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 163 71.788 -4.991 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 163 70.671 -4.829 3.090 1.00 0.00 H new ATOM 0 HB3 ALA A 163 72.028 -5.978 3.176 1.00 0.00 H new ATOM 717 N ARG A 164 71.467 -7.364 -0.118 1.00 0.00 N ATOM 718 CA ARG A 164 72.279 -8.305 -0.940 1.00 0.00 C ATOM 719 C ARG A 164 73.423 -7.552 -1.624 1.00 0.00 C ATOM 720 O ARG A 164 73.363 -6.350 -1.792 1.00 0.00 O ATOM 721 CB ARG A 164 71.307 -8.865 -1.978 1.00 0.00 C ATOM 722 CG ARG A 164 70.314 -9.807 -1.292 1.00 0.00 C ATOM 723 CD ARG A 164 70.873 -11.231 -1.302 1.00 0.00 C ATOM 724 NE ARG A 164 69.758 -12.075 -1.821 1.00 0.00 N ATOM 725 CZ ARG A 164 69.983 -13.313 -2.163 1.00 0.00 C ATOM 726 NH1 ARG A 164 70.665 -14.097 -1.373 1.00 0.00 N ATOM 727 NH2 ARG A 164 69.522 -13.771 -3.296 1.00 0.00 N1+ ATOM 0 H ARG A 164 71.128 -6.538 -0.611 1.00 0.00 H new ATOM 0 HA ARG A 164 72.732 -9.095 -0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 164 70.773 -8.051 -2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 164 71.855 -9.400 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 164 70.136 -9.482 -0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 164 69.354 -9.778 -1.807 1.00 0.00 H new ATOM 0 HD2 ARG A 164 71.755 -11.305 -1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 164 71.174 -11.545 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 164 68.820 -11.684 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 164 71.023 -13.741 -0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 164 70.840 -15.065 -1.642 1.00 0.00 H new ATOM 0 HH21 ARG A 164 68.986 -13.160 -3.913 1.00 0.00 H new ATOM 0 HH22 ARG A 164 69.698 -14.739 -3.564 1.00 0.00 H new ATOM 741 N PRO A 165 74.433 -8.290 -1.995 1.00 0.00 N ATOM 742 CA PRO A 165 75.610 -7.689 -2.668 1.00 0.00 C ATOM 743 C PRO A 165 75.258 -7.280 -4.100 1.00 0.00 C ATOM 744 O PRO A 165 74.514 -7.955 -4.784 1.00 0.00 O ATOM 745 CB PRO A 165 76.640 -8.815 -2.661 1.00 0.00 C ATOM 746 CG PRO A 165 75.834 -10.074 -2.580 1.00 0.00 C ATOM 747 CD PRO A 165 74.573 -9.740 -1.824 1.00 0.00 C ATOM 0 HA PRO A 165 75.970 -6.786 -2.176 1.00 0.00 H new ATOM 0 HB2 PRO A 165 77.253 -8.796 -3.562 1.00 0.00 H new ATOM 0 HB3 PRO A 165 77.318 -8.725 -1.812 1.00 0.00 H new ATOM 0 HG2 PRO A 165 75.599 -10.447 -3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 165 76.393 -10.858 -2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 165 73.713 -10.275 -2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 165 74.654 -10.012 -0.772 1.00 0.00 H new ATOM 755 N LEU A 166 75.788 -6.179 -4.559 1.00 0.00 N ATOM 756 CA LEU A 166 75.485 -5.727 -5.948 1.00 0.00 C ATOM 757 C LEU A 166 76.029 -6.735 -6.965 1.00 0.00 C ATOM 758 O LEU A 166 75.611 -6.766 -8.105 1.00 0.00 O ATOM 759 CB LEU A 166 76.201 -4.383 -6.089 1.00 0.00 C ATOM 760 CG LEU A 166 75.167 -3.255 -6.115 1.00 0.00 C ATOM 761 CD1 LEU A 166 74.285 -3.341 -4.867 1.00 0.00 C ATOM 762 CD2 LEU A 166 75.886 -1.905 -6.139 1.00 0.00 C ATOM 0 H LEU A 166 76.417 -5.573 -4.033 1.00 0.00 H new ATOM 0 HA LEU A 166 74.414 -5.641 -6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 166 76.892 -4.238 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 166 76.794 -4.369 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 166 74.546 -3.352 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 166 73.549 -2.538 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 166 73.772 -4.303 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 166 74.905 -3.244 -3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 166 75.150 -1.101 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 166 76.507 -1.808 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 166 76.514 -1.843 -7.028 1.00 0.00 H new ATOM 774 N ALA A 167 76.958 -7.560 -6.562 1.00 0.00 N ATOM 775 CA ALA A 167 77.524 -8.563 -7.509 1.00 0.00 C ATOM 776 C ALA A 167 76.576 -9.758 -7.644 1.00 0.00 C ATOM 777 O ALA A 167 75.597 -9.869 -6.933 1.00 0.00 O ATOM 778 CB ALA A 167 78.848 -8.997 -6.882 1.00 0.00 C ATOM 0 H ALA A 167 77.349 -7.583 -5.620 1.00 0.00 H new ATOM 0 HA ALA A 167 77.662 -8.154 -8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 167 79.328 -9.738 -7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 167 79.501 -8.131 -6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 167 78.660 -9.432 -5.900 1.00 0.00 H new ATOM 936 N ALA B 127 89.577 8.542 -3.443 1.00 0.00 N ATOM 937 CA ALA B 127 88.567 8.194 -2.402 1.00 0.00 C ATOM 938 C ALA B 127 87.818 6.920 -2.800 1.00 0.00 C ATOM 939 O ALA B 127 86.605 6.895 -2.862 1.00 0.00 O ATOM 940 CB ALA B 127 87.612 9.388 -2.361 1.00 0.00 C ATOM 0 HA ALA B 127 89.023 8.005 -1.430 1.00 0.00 H new ATOM 0 HB1 ALA B 127 86.837 9.208 -1.616 1.00 0.00 H new ATOM 0 HB2 ALA B 127 88.167 10.289 -2.098 1.00 0.00 H new ATOM 0 HB3 ALA B 127 87.151 9.519 -3.340 1.00 0.00 H new ATOM 946 N VAL B 128 88.531 5.861 -3.074 1.00 0.00 N ATOM 947 CA VAL B 128 87.856 4.592 -3.471 1.00 0.00 C ATOM 948 C VAL B 128 88.746 3.388 -3.156 1.00 0.00 C ATOM 949 O VAL B 128 89.939 3.514 -2.969 1.00 0.00 O ATOM 950 CB VAL B 128 87.625 4.711 -4.976 1.00 0.00 C ATOM 951 CG1 VAL B 128 86.456 5.661 -5.239 1.00 0.00 C ATOM 952 CG2 VAL B 128 88.888 5.250 -5.650 1.00 0.00 C ATOM 0 H VAL B 128 89.550 5.820 -3.040 1.00 0.00 H new ATOM 0 HA VAL B 128 86.923 4.442 -2.928 1.00 0.00 H new ATOM 0 HB VAL B 128 87.392 3.728 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL B 128 86.291 5.746 -6.313 1.00 0.00 H new ATOM 0 HG12 VAL B 128 85.556 5.271 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL B 128 86.687 6.644 -4.828 1.00 0.00 H new ATOM 0 HG21 VAL B 128 88.720 5.334 -6.724 1.00 0.00 H new ATOM 0 HG22 VAL B 128 89.127 6.232 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL B 128 89.718 4.569 -5.465 1.00 0.00 H new ATOM 962 N CYS B 129 88.163 2.222 -3.089 1.00 0.00 N ATOM 963 CA CYS B 129 88.958 0.995 -2.779 1.00 0.00 C ATOM 964 C CYS B 129 90.233 0.947 -3.621 1.00 0.00 C ATOM 965 O CYS B 129 90.291 1.479 -4.712 1.00 0.00 O ATOM 966 CB CYS B 129 88.038 -0.170 -3.140 1.00 0.00 C ATOM 967 SG CYS B 129 88.754 -1.716 -2.527 1.00 0.00 S ATOM 0 H CYS B 129 87.166 2.064 -3.236 1.00 0.00 H new ATOM 0 HA CYS B 129 89.273 0.967 -1.736 1.00 0.00 H new ATOM 0 HB2 CYS B 129 87.051 -0.016 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS B 129 87.905 -0.221 -4.221 1.00 0.00 H new ATOM 0 HG CYS B 129 89.559 -1.460 -1.539 1.00 0.00 H new ATOM 972 N THR B 130 91.253 0.308 -3.121 1.00 0.00 N ATOM 973 CA THR B 130 92.525 0.218 -3.891 1.00 0.00 C ATOM 974 C THR B 130 92.441 -0.918 -4.916 1.00 0.00 C ATOM 975 O THR B 130 93.162 -0.941 -5.893 1.00 0.00 O ATOM 976 CB THR B 130 93.608 -0.068 -2.848 1.00 0.00 C ATOM 977 OG1 THR B 130 94.860 -0.223 -3.501 1.00 0.00 O ATOM 978 CG2 THR B 130 93.268 -1.350 -2.086 1.00 0.00 C ATOM 0 H THR B 130 91.261 -0.156 -2.213 1.00 0.00 H new ATOM 0 HA THR B 130 92.737 1.131 -4.448 1.00 0.00 H new ATOM 0 HB THR B 130 93.661 0.763 -2.145 1.00 0.00 H new ATOM 0 HG1 THR B 130 95.556 -0.405 -2.835 1.00 0.00 H new ATOM 0 HG21 THR B 130 94.042 -1.549 -1.345 1.00 0.00 H new ATOM 0 HG22 THR B 130 92.307 -1.231 -1.585 1.00 0.00 H new ATOM 0 HG23 THR B 130 93.212 -2.185 -2.785 1.00 0.00 H new ATOM 986 N ARG B 131 91.558 -1.857 -4.702 1.00 0.00 N ATOM 987 CA ARG B 131 91.420 -2.988 -5.664 1.00 0.00 C ATOM 988 C ARG B 131 90.252 -2.717 -6.614 1.00 0.00 C ATOM 989 O ARG B 131 90.402 -2.736 -7.820 1.00 0.00 O ATOM 990 CB ARG B 131 91.133 -4.214 -4.797 1.00 0.00 C ATOM 991 CG ARG B 131 92.434 -4.979 -4.548 1.00 0.00 C ATOM 992 CD ARG B 131 92.266 -6.431 -5.000 1.00 0.00 C ATOM 993 NE ARG B 131 93.656 -6.940 -5.173 1.00 0.00 N ATOM 994 CZ ARG B 131 94.415 -7.131 -4.129 1.00 0.00 C ATOM 995 NH1 ARG B 131 94.992 -6.116 -3.547 1.00 0.00 N1+ ATOM 996 NH2 ARG B 131 94.596 -8.339 -3.668 1.00 0.00 N ATOM 0 H ARG B 131 90.926 -1.889 -3.902 1.00 0.00 H new ATOM 0 HA ARG B 131 92.310 -3.127 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG B 131 90.692 -3.907 -3.849 1.00 0.00 H new ATOM 0 HB3 ARG B 131 90.408 -4.860 -5.291 1.00 0.00 H new ATOM 0 HG2 ARG B 131 93.254 -4.510 -5.092 1.00 0.00 H new ATOM 0 HG3 ARG B 131 92.692 -4.944 -3.490 1.00 0.00 H new ATOM 0 HD2 ARG B 131 91.720 -7.015 -4.259 1.00 0.00 H new ATOM 0 HD3 ARG B 131 91.704 -6.493 -5.932 1.00 0.00 H new ATOM 0 HE ARG B 131 94.014 -7.139 -6.107 1.00 0.00 H new ATOM 0 HH11 ARG B 131 94.850 -5.173 -3.908 1.00 0.00 H new ATOM 0 HH12 ARG B 131 95.585 -6.266 -2.731 1.00 0.00 H new ATOM 0 HH21 ARG B 131 94.144 -9.132 -4.124 1.00 0.00 H new ATOM 0 HH22 ARG B 131 95.189 -8.490 -2.852 1.00 0.00 H new ATOM 1010 N CYS B 132 89.092 -2.452 -6.077 1.00 0.00 N ATOM 1011 CA CYS B 132 87.915 -2.168 -6.947 1.00 0.00 C ATOM 1012 C CYS B 132 88.035 -0.759 -7.533 1.00 0.00 C ATOM 1013 O CYS B 132 87.477 -0.458 -8.567 1.00 0.00 O ATOM 1014 CB CYS B 132 86.704 -2.262 -6.019 1.00 0.00 C ATOM 1015 SG CYS B 132 86.767 -3.822 -5.102 1.00 0.00 S ATOM 0 H CYS B 132 88.908 -2.420 -5.074 1.00 0.00 H new ATOM 0 HA CYS B 132 87.837 -2.861 -7.785 1.00 0.00 H new ATOM 0 HB2 CYS B 132 86.697 -1.420 -5.326 1.00 0.00 H new ATOM 0 HB3 CYS B 132 85.783 -2.205 -6.599 1.00 0.00 H new ATOM 0 HG CYS B 132 86.197 -3.668 -3.944 1.00 0.00 H new ATOM 1020 N LYS B 133 88.767 0.100 -6.872 1.00 0.00 N ATOM 1021 CA LYS B 133 88.944 1.496 -7.372 1.00 0.00 C ATOM 1022 C LYS B 133 87.630 2.282 -7.276 1.00 0.00 C ATOM 1023 O LYS B 133 87.526 3.393 -7.756 1.00 0.00 O ATOM 1024 CB LYS B 133 89.439 1.339 -8.825 1.00 0.00 C ATOM 1025 CG LYS B 133 88.355 1.713 -9.851 1.00 0.00 C ATOM 1026 CD LYS B 133 88.482 3.195 -10.214 1.00 0.00 C ATOM 1027 CE LYS B 133 87.088 3.790 -10.427 1.00 0.00 C ATOM 1028 NZ LYS B 133 87.155 4.449 -11.762 1.00 0.00 N1+ ATOM 0 H LYS B 133 89.254 -0.108 -6.000 1.00 0.00 H new ATOM 0 HA LYS B 133 89.657 2.068 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS B 133 90.315 1.969 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS B 133 89.754 0.309 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS B 133 88.459 1.099 -10.745 1.00 0.00 H new ATOM 0 HG3 LYS B 133 87.366 1.512 -9.440 1.00 0.00 H new ATOM 0 HD2 LYS B 133 89.001 3.732 -9.420 1.00 0.00 H new ATOM 0 HD3 LYS B 133 89.080 3.309 -11.118 1.00 0.00 H new ATOM 0 HE2 LYS B 133 86.320 3.016 -10.406 1.00 0.00 H new ATOM 0 HE3 LYS B 133 86.840 4.507 -9.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 86.235 4.882 -11.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 87.890 5.185 -11.750 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 87.386 3.741 -12.488 1.00 0.00 H new ATOM 1042 N GLU B 134 86.629 1.729 -6.644 1.00 0.00 N ATOM 1043 CA GLU B 134 85.337 2.464 -6.513 1.00 0.00 C ATOM 1044 C GLU B 134 84.368 1.682 -5.624 1.00 0.00 C ATOM 1045 O GLU B 134 84.674 0.608 -5.146 1.00 0.00 O ATOM 1046 CB GLU B 134 84.789 2.572 -7.936 1.00 0.00 C ATOM 1047 CG GLU B 134 84.207 1.225 -8.364 1.00 0.00 C ATOM 1048 CD GLU B 134 84.185 1.141 -9.892 1.00 0.00 C ATOM 1049 OE1 GLU B 134 85.252 1.021 -10.474 1.00 0.00 O ATOM 1050 OE2 GLU B 134 83.104 1.198 -10.455 1.00 0.00 O1- ATOM 0 H GLU B 134 86.650 0.804 -6.214 1.00 0.00 H new ATOM 0 HA GLU B 134 85.469 3.444 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU B 134 84.020 3.343 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU B 134 85.583 2.871 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU B 134 84.805 0.411 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU B 134 83.198 1.111 -7.968 1.00 0.00 H new ATOM 1057 N SER B 135 83.199 2.216 -5.403 1.00 0.00 N ATOM 1058 CA SER B 135 82.201 1.511 -4.547 1.00 0.00 C ATOM 1059 C SER B 135 82.721 1.388 -3.112 1.00 0.00 C ATOM 1060 O SER B 135 82.395 0.458 -2.400 1.00 0.00 O ATOM 1061 CB SER B 135 82.043 0.130 -5.185 1.00 0.00 C ATOM 1062 OG SER B 135 82.755 -0.832 -4.420 1.00 0.00 O ATOM 0 H SER B 135 82.890 3.112 -5.779 1.00 0.00 H new ATOM 0 HA SER B 135 81.253 2.046 -4.491 1.00 0.00 H new ATOM 0 HB2 SER B 135 80.988 -0.140 -5.236 1.00 0.00 H new ATOM 0 HB3 SER B 135 82.418 0.146 -6.208 1.00 0.00 H new ATOM 0 HG SER B 135 83.710 -0.780 -4.635 1.00 0.00 H new ATOM 1068 N ALA B 136 83.527 2.319 -2.681 1.00 0.00 N ATOM 1069 CA ALA B 136 84.066 2.254 -1.290 1.00 0.00 C ATOM 1070 C ALA B 136 83.938 3.619 -0.609 1.00 0.00 C ATOM 1071 O ALA B 136 84.117 4.651 -1.227 1.00 0.00 O ATOM 1072 CB ALA B 136 85.536 1.870 -1.455 1.00 0.00 C ATOM 0 H ALA B 136 83.836 3.121 -3.230 1.00 0.00 H new ATOM 0 HA ALA B 136 83.526 1.540 -0.669 1.00 0.00 H new ATOM 0 HB1 ALA B 136 86.006 1.801 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA B 136 85.606 0.906 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA B 136 86.046 2.628 -2.049 1.00 0.00 H new ATOM 1078 N ASP B 137 83.628 3.636 0.660 1.00 0.00 N ATOM 1079 CA ASP B 137 83.488 4.938 1.374 1.00 0.00 C ATOM 1080 C ASP B 137 84.197 4.882 2.731 1.00 0.00 C ATOM 1081 O ASP B 137 83.878 5.625 3.637 1.00 0.00 O ATOM 1082 CB ASP B 137 81.983 5.121 1.568 1.00 0.00 C ATOM 1083 CG ASP B 137 81.619 6.596 1.385 1.00 0.00 C ATOM 1084 OD1 ASP B 137 82.035 7.169 0.392 1.00 0.00 O1- ATOM 1085 OD2 ASP B 137 80.930 7.125 2.242 1.00 0.00 O ATOM 0 H ASP B 137 83.466 2.807 1.232 1.00 0.00 H new ATOM 0 HA ASP B 137 83.934 5.762 0.817 1.00 0.00 H new ATOM 0 HB2 ASP B 137 81.436 4.509 0.851 1.00 0.00 H new ATOM 0 HB3 ASP B 137 81.690 4.784 2.562 1.00 0.00 H new ATOM 1090 N PHE B 138 85.154 4.008 2.879 1.00 0.00 N ATOM 1091 CA PHE B 138 85.875 3.911 4.181 1.00 0.00 C ATOM 1092 C PHE B 138 87.309 3.420 3.962 1.00 0.00 C ATOM 1093 O PHE B 138 87.579 2.636 3.073 1.00 0.00 O ATOM 1094 CB PHE B 138 85.079 2.895 4.998 1.00 0.00 C ATOM 1095 CG PHE B 138 84.051 3.619 5.834 1.00 0.00 C ATOM 1096 CD1 PHE B 138 84.382 4.061 7.120 1.00 0.00 C ATOM 1097 CD2 PHE B 138 82.768 3.848 5.324 1.00 0.00 C ATOM 1098 CE1 PHE B 138 83.430 4.734 7.896 1.00 0.00 C ATOM 1099 CE2 PHE B 138 81.816 4.520 6.099 1.00 0.00 C ATOM 1100 CZ PHE B 138 82.147 4.963 7.386 1.00 0.00 C ATOM 0 H PHE B 138 85.468 3.358 2.158 1.00 0.00 H new ATOM 0 HA PHE B 138 85.946 4.875 4.685 1.00 0.00 H new ATOM 0 HB2 PHE B 138 84.588 2.183 4.335 1.00 0.00 H new ATOM 0 HB3 PHE B 138 85.749 2.323 5.640 1.00 0.00 H new ATOM 0 HD1 PHE B 138 85.372 3.883 7.514 1.00 0.00 H new ATOM 0 HD2 PHE B 138 82.512 3.506 4.332 1.00 0.00 H new ATOM 0 HE1 PHE B 138 83.686 5.076 8.888 1.00 0.00 H new ATOM 0 HE2 PHE B 138 80.826 4.697 5.705 1.00 0.00 H new ATOM 0 HZ PHE B 138 81.412 5.481 7.985 1.00 0.00 H new ATOM 1110 N TRP B 139 88.229 3.872 4.769 1.00 0.00 N ATOM 1111 CA TRP B 139 89.643 3.430 4.613 1.00 0.00 C ATOM 1112 C TRP B 139 90.235 3.076 5.978 1.00 0.00 C ATOM 1113 O TRP B 139 89.959 3.720 6.971 1.00 0.00 O ATOM 1114 CB TRP B 139 90.370 4.629 3.997 1.00 0.00 C ATOM 1115 CG TRP B 139 91.058 5.410 5.072 1.00 0.00 C ATOM 1116 CD1 TRP B 139 92.274 5.119 5.589 1.00 0.00 C ATOM 1117 CD2 TRP B 139 90.596 6.606 5.763 1.00 0.00 C ATOM 1118 NE1 TRP B 139 92.585 6.058 6.557 1.00 0.00 N ATOM 1119 CE2 TRP B 139 91.582 6.996 6.700 1.00 0.00 C ATOM 1120 CE3 TRP B 139 89.427 7.384 5.670 1.00 0.00 C ATOM 1121 CZ2 TRP B 139 91.416 8.115 7.516 1.00 0.00 C ATOM 1122 CZ3 TRP B 139 89.256 8.512 6.489 1.00 0.00 C ATOM 1123 CH2 TRP B 139 90.248 8.877 7.410 1.00 0.00 C ATOM 0 H TRP B 139 88.062 4.529 5.531 1.00 0.00 H new ATOM 0 HA TRP B 139 89.735 2.541 3.989 1.00 0.00 H new ATOM 0 HB2 TRP B 139 91.097 4.286 3.261 1.00 0.00 H new ATOM 0 HB3 TRP B 139 89.659 5.266 3.470 1.00 0.00 H new ATOM 0 HD1 TRP B 139 92.900 4.289 5.294 1.00 0.00 H new ATOM 0 HE1 TRP B 139 93.449 6.057 7.098 1.00 0.00 H new ATOM 0 HE3 TRP B 139 88.656 7.112 4.964 1.00 0.00 H new ATOM 0 HZ2 TRP B 139 92.183 8.391 8.224 1.00 0.00 H new ATOM 0 HZ3 TRP B 139 88.355 9.102 6.409 1.00 0.00 H new ATOM 0 HH2 TRP B 139 90.110 9.746 8.037 1.00 0.00 H new ATOM 1134 N CYS B 140 91.044 2.054 6.038 1.00 0.00 N ATOM 1135 CA CYS B 140 91.650 1.658 7.342 1.00 0.00 C ATOM 1136 C CYS B 140 92.743 2.651 7.745 1.00 0.00 C ATOM 1137 O CYS B 140 93.637 2.948 6.979 1.00 0.00 O ATOM 1138 CB CYS B 140 92.248 0.273 7.097 1.00 0.00 C ATOM 1139 SG CYS B 140 91.075 -0.995 7.636 1.00 0.00 S ATOM 0 H CYS B 140 91.312 1.476 5.241 1.00 0.00 H new ATOM 0 HA CYS B 140 90.918 1.650 8.150 1.00 0.00 H new ATOM 0 HB2 CYS B 140 92.476 0.146 6.039 1.00 0.00 H new ATOM 0 HB3 CYS B 140 93.187 0.169 7.641 1.00 0.00 H new ATOM 0 HG CYS B 140 90.961 -0.959 8.930 1.00 0.00 H new ATOM 1144 N PHE B 141 92.679 3.163 8.944 1.00 0.00 N ATOM 1145 CA PHE B 141 93.715 4.134 9.396 1.00 0.00 C ATOM 1146 C PHE B 141 95.077 3.442 9.491 1.00 0.00 C ATOM 1147 O PHE B 141 96.089 3.982 9.091 1.00 0.00 O ATOM 1148 CB PHE B 141 93.248 4.595 10.777 1.00 0.00 C ATOM 1149 CG PHE B 141 94.236 5.590 11.335 1.00 0.00 C ATOM 1150 CD1 PHE B 141 95.410 5.142 11.952 1.00 0.00 C ATOM 1151 CD2 PHE B 141 93.977 6.963 11.236 1.00 0.00 C ATOM 1152 CE1 PHE B 141 96.326 6.065 12.468 1.00 0.00 C ATOM 1153 CE2 PHE B 141 94.893 7.886 11.753 1.00 0.00 C ATOM 1154 CZ PHE B 141 96.067 7.438 12.369 1.00 0.00 C ATOM 0 H PHE B 141 91.954 2.951 9.630 1.00 0.00 H new ATOM 0 HA PHE B 141 93.831 4.970 8.706 1.00 0.00 H new ATOM 0 HB2 PHE B 141 92.259 5.049 10.706 1.00 0.00 H new ATOM 0 HB3 PHE B 141 93.159 3.740 11.447 1.00 0.00 H new ATOM 0 HD1 PHE B 141 95.609 4.083 12.030 1.00 0.00 H new ATOM 0 HD2 PHE B 141 93.071 7.309 10.761 1.00 0.00 H new ATOM 0 HE1 PHE B 141 97.232 5.719 12.942 1.00 0.00 H new ATOM 0 HE2 PHE B 141 94.694 8.945 11.677 1.00 0.00 H new ATOM 0 HZ PHE B 141 96.773 8.151 12.768 1.00 0.00 H new ATOM 1164 N GLU B 142 95.111 2.247 10.017 1.00 0.00 N ATOM 1165 CA GLU B 142 96.407 1.520 10.134 1.00 0.00 C ATOM 1166 C GLU B 142 96.866 1.039 8.755 1.00 0.00 C ATOM 1167 O GLU B 142 97.999 1.234 8.363 1.00 0.00 O ATOM 1168 CB GLU B 142 96.113 0.330 11.046 1.00 0.00 C ATOM 1169 CG GLU B 142 96.549 0.660 12.476 1.00 0.00 C ATOM 1170 CD GLU B 142 96.227 -0.521 13.392 1.00 0.00 C ATOM 1171 OE1 GLU B 142 96.971 -1.488 13.365 1.00 0.00 O ATOM 1172 OE2 GLU B 142 95.240 -0.440 14.106 1.00 0.00 O1- ATOM 0 H GLU B 142 94.297 1.743 10.370 1.00 0.00 H new ATOM 0 HA GLU B 142 97.201 2.151 10.533 1.00 0.00 H new ATOM 0 HB2 GLU B 142 95.049 0.096 11.024 1.00 0.00 H new ATOM 0 HB3 GLU B 142 96.641 -0.554 10.689 1.00 0.00 H new ATOM 0 HG2 GLU B 142 97.618 0.873 12.502 1.00 0.00 H new ATOM 0 HG3 GLU B 142 96.037 1.556 12.826 1.00 0.00 H new ATOM 1179 N CYS B 143 95.991 0.413 8.015 1.00 0.00 N ATOM 1180 CA CYS B 143 96.374 -0.080 6.660 1.00 0.00 C ATOM 1181 C CYS B 143 96.458 1.089 5.674 1.00 0.00 C ATOM 1182 O CYS B 143 97.056 0.984 4.623 1.00 0.00 O ATOM 1183 CB CYS B 143 95.255 -1.040 6.259 1.00 0.00 C ATOM 1184 SG CYS B 143 94.985 -2.240 7.586 1.00 0.00 S ATOM 0 H CYS B 143 95.028 0.222 8.290 1.00 0.00 H new ATOM 0 HA CYS B 143 97.350 -0.566 6.658 1.00 0.00 H new ATOM 0 HB2 CYS B 143 94.337 -0.485 6.064 1.00 0.00 H new ATOM 0 HB3 CYS B 143 95.518 -1.556 5.335 1.00 0.00 H new ATOM 0 HG CYS B 143 94.031 -3.056 7.246 1.00 0.00 H new ATOM 1189 N GLU B 144 95.863 2.205 6.004 1.00 0.00 N ATOM 1190 CA GLU B 144 95.910 3.376 5.083 1.00 0.00 C ATOM 1191 C GLU B 144 95.453 2.964 3.680 1.00 0.00 C ATOM 1192 O GLU B 144 96.026 3.366 2.687 1.00 0.00 O ATOM 1193 CB GLU B 144 97.377 3.806 5.064 1.00 0.00 C ATOM 1194 CG GLU B 144 97.992 3.585 6.448 1.00 0.00 C ATOM 1195 CD GLU B 144 99.293 4.383 6.559 1.00 0.00 C ATOM 1196 OE1 GLU B 144 100.083 4.324 5.631 1.00 0.00 O1- ATOM 1197 OE2 GLU B 144 99.477 5.038 7.572 1.00 0.00 O ATOM 0 H GLU B 144 95.347 2.355 6.871 1.00 0.00 H new ATOM 0 HA GLU B 144 95.253 4.183 5.407 1.00 0.00 H new ATOM 0 HB2 GLU B 144 97.925 3.234 4.315 1.00 0.00 H new ATOM 0 HB3 GLU B 144 97.456 4.856 4.783 1.00 0.00 H new ATOM 0 HG2 GLU B 144 97.293 3.899 7.223 1.00 0.00 H new ATOM 0 HG3 GLU B 144 98.188 2.524 6.606 1.00 0.00 H new ATOM 1204 N GLN B 145 94.425 2.165 3.592 1.00 0.00 N ATOM 1205 CA GLN B 145 93.932 1.730 2.254 1.00 0.00 C ATOM 1206 C GLN B 145 92.405 1.836 2.194 1.00 0.00 C ATOM 1207 O GLN B 145 91.737 1.895 3.206 1.00 0.00 O ATOM 1208 CB GLN B 145 94.374 0.271 2.125 1.00 0.00 C ATOM 1209 CG GLN B 145 95.807 0.220 1.591 1.00 0.00 C ATOM 1210 CD GLN B 145 96.430 -1.134 1.934 1.00 0.00 C ATOM 1211 OE1 GLN B 145 97.609 -1.220 2.214 1.00 0.00 O ATOM 1212 NE2 GLN B 145 95.683 -2.203 1.924 1.00 0.00 N ATOM 0 H GLN B 145 93.905 1.795 4.388 1.00 0.00 H new ATOM 0 HA GLN B 145 94.325 2.348 1.447 1.00 0.00 H new ATOM 0 HB2 GLN B 145 94.317 -0.225 3.094 1.00 0.00 H new ATOM 0 HB3 GLN B 145 93.704 -0.265 1.453 1.00 0.00 H new ATOM 0 HG2 GLN B 145 95.810 0.371 0.511 1.00 0.00 H new ATOM 0 HG3 GLN B 145 96.398 1.025 2.027 1.00 0.00 H new ATOM 0 HE21 GLN B 145 94.693 -2.131 1.689 1.00 0.00 H new ATOM 0 HE22 GLN B 145 96.089 -3.111 2.151 1.00 0.00 H new ATOM 1221 N LEU B 146 91.848 1.865 1.014 1.00 0.00 N ATOM 1222 CA LEU B 146 90.366 1.971 0.892 1.00 0.00 C ATOM 1223 C LEU B 146 89.751 0.587 0.664 1.00 0.00 C ATOM 1224 O LEU B 146 90.320 -0.253 -0.005 1.00 0.00 O ATOM 1225 CB LEU B 146 90.132 2.869 -0.322 1.00 0.00 C ATOM 1226 CG LEU B 146 90.617 4.285 -0.007 1.00 0.00 C ATOM 1227 CD1 LEU B 146 91.938 4.546 -0.734 1.00 0.00 C ATOM 1228 CD2 LEU B 146 89.570 5.299 -0.472 1.00 0.00 C ATOM 0 H LEU B 146 92.354 1.820 0.130 1.00 0.00 H new ATOM 0 HA LEU B 146 89.906 2.376 1.793 1.00 0.00 H new ATOM 0 HB2 LEU B 146 90.664 2.475 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU B 146 89.073 2.884 -0.578 1.00 0.00 H new ATOM 0 HG LEU B 146 90.768 4.386 1.068 1.00 0.00 H new ATOM 0 HD11 LEU B 146 92.284 5.555 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU B 146 92.685 3.824 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU B 146 91.788 4.445 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU B 146 89.916 6.308 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU B 146 89.418 5.198 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU B 146 88.629 5.114 0.046 1.00 0.00 H new ATOM 1240 N LEU B 147 88.594 0.344 1.217 1.00 0.00 N ATOM 1241 CA LEU B 147 87.945 -0.985 1.034 1.00 0.00 C ATOM 1242 C LEU B 147 86.482 -0.806 0.615 1.00 0.00 C ATOM 1243 O LEU B 147 85.728 -0.093 1.247 1.00 0.00 O ATOM 1244 CB LEU B 147 88.033 -1.658 2.404 1.00 0.00 C ATOM 1245 CG LEU B 147 89.502 -1.870 2.775 1.00 0.00 C ATOM 1246 CD1 LEU B 147 89.922 -0.826 3.813 1.00 0.00 C ATOM 1247 CD2 LEU B 147 89.683 -3.272 3.360 1.00 0.00 C ATOM 0 H LEU B 147 88.070 1.008 1.787 1.00 0.00 H new ATOM 0 HA LEU B 147 88.427 -1.578 0.256 1.00 0.00 H new ATOM 0 HB2 LEU B 147 87.542 -1.041 3.156 1.00 0.00 H new ATOM 0 HB3 LEU B 147 87.510 -2.614 2.386 1.00 0.00 H new ATOM 0 HG LEU B 147 90.121 -1.765 1.884 1.00 0.00 H new ATOM 0 HD11 LEU B 147 90.969 -0.977 4.078 1.00 0.00 H new ATOM 0 HD12 LEU B 147 89.793 0.173 3.397 1.00 0.00 H new ATOM 0 HD13 LEU B 147 89.304 -0.930 4.705 1.00 0.00 H new ATOM 0 HD21 LEU B 147 90.730 -3.424 3.624 1.00 0.00 H new ATOM 0 HD22 LEU B 147 89.065 -3.377 4.251 1.00 0.00 H new ATOM 0 HD23 LEU B 147 89.384 -4.016 2.621 1.00 0.00 H new ATOM 1259 N CYS B 148 86.077 -1.449 -0.446 1.00 0.00 N ATOM 1260 CA CYS B 148 84.664 -1.314 -0.905 1.00 0.00 C ATOM 1261 C CYS B 148 83.724 -2.034 0.065 1.00 0.00 C ATOM 1262 O CYS B 148 84.156 -2.716 0.973 1.00 0.00 O ATOM 1263 CB CYS B 148 84.628 -1.980 -2.281 1.00 0.00 C ATOM 1264 SG CYS B 148 85.070 -3.728 -2.118 1.00 0.00 S ATOM 0 H CYS B 148 86.662 -2.061 -1.015 1.00 0.00 H new ATOM 0 HA CYS B 148 84.341 -0.274 -0.948 1.00 0.00 H new ATOM 0 HB2 CYS B 148 83.634 -1.885 -2.717 1.00 0.00 H new ATOM 0 HB3 CYS B 148 85.322 -1.480 -2.957 1.00 0.00 H new ATOM 0 HG CYS B 148 86.196 -3.833 -1.476 1.00 0.00 H new ATOM 1269 N ALA B 149 82.440 -1.889 -0.119 1.00 0.00 N ATOM 1270 CA ALA B 149 81.476 -2.565 0.796 1.00 0.00 C ATOM 1271 C ALA B 149 81.836 -4.046 0.947 1.00 0.00 C ATOM 1272 O ALA B 149 81.677 -4.628 2.001 1.00 0.00 O ATOM 1273 CB ALA B 149 80.113 -2.408 0.123 1.00 0.00 C ATOM 0 H ALA B 149 82.017 -1.333 -0.862 1.00 0.00 H new ATOM 0 HA ALA B 149 81.487 -2.134 1.797 1.00 0.00 H new ATOM 0 HB1 ALA B 149 79.347 -2.881 0.737 1.00 0.00 H new ATOM 0 HB2 ALA B 149 79.883 -1.349 0.009 1.00 0.00 H new ATOM 0 HB3 ALA B 149 80.135 -2.882 -0.858 1.00 0.00 H new ATOM 1279 N LYS B 150 82.320 -4.659 -0.098 1.00 0.00 N ATOM 1280 CA LYS B 150 82.689 -6.101 -0.010 1.00 0.00 C ATOM 1281 C LYS B 150 83.977 -6.268 0.803 1.00 0.00 C ATOM 1282 O LYS B 150 84.247 -7.321 1.345 1.00 0.00 O ATOM 1283 CB LYS B 150 82.908 -6.546 -1.456 1.00 0.00 C ATOM 1284 CG LYS B 150 83.387 -7.999 -1.474 1.00 0.00 C ATOM 1285 CD LYS B 150 82.286 -8.906 -0.921 1.00 0.00 C ATOM 1286 CE LYS B 150 82.838 -9.720 0.252 1.00 0.00 C ATOM 1287 NZ LYS B 150 81.997 -10.950 0.292 1.00 0.00 N1+ ATOM 0 H LYS B 150 82.476 -4.225 -1.008 1.00 0.00 H new ATOM 0 HA LYS B 150 81.920 -6.693 0.486 1.00 0.00 H new ATOM 0 HB2 LYS B 150 81.981 -6.450 -2.022 1.00 0.00 H new ATOM 0 HB3 LYS B 150 83.644 -5.903 -1.938 1.00 0.00 H new ATOM 0 HG2 LYS B 150 83.641 -8.297 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS B 150 84.292 -8.102 -0.876 1.00 0.00 H new ATOM 0 HD2 LYS B 150 81.436 -8.307 -0.594 1.00 0.00 H new ATOM 0 HD3 LYS B 150 81.923 -9.574 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS B 150 83.890 -9.965 0.103 1.00 0.00 H new ATOM 0 HE3 LYS B 150 82.769 -9.163 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS B 150 82.313 -11.562 1.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 150 81.002 -10.686 0.441 1.00 0.00 H new ATOM 0 HZ3 LYS B 150 82.088 -11.462 -0.609 1.00 0.00 H new ATOM 1301 N CYS B 151 84.771 -5.237 0.891 1.00 0.00 N ATOM 1302 CA CYS B 151 86.040 -5.340 1.669 1.00 0.00 C ATOM 1303 C CYS B 151 85.874 -4.680 3.042 1.00 0.00 C ATOM 1304 O CYS B 151 86.203 -5.255 4.061 1.00 0.00 O ATOM 1305 CB CYS B 151 87.077 -4.589 0.834 1.00 0.00 C ATOM 1306 SG CYS B 151 87.469 -5.551 -0.649 1.00 0.00 S ATOM 0 H CYS B 151 84.598 -4.329 0.459 1.00 0.00 H new ATOM 0 HA CYS B 151 86.333 -6.375 1.848 1.00 0.00 H new ATOM 0 HB2 CYS B 151 86.693 -3.608 0.553 1.00 0.00 H new ATOM 0 HB3 CYS B 151 87.980 -4.421 1.421 1.00 0.00 H new ATOM 0 HG CYS B 151 86.480 -5.476 -1.489 1.00 0.00 H new ATOM 1311 N PHE B 152 85.365 -3.479 3.077 1.00 0.00 N ATOM 1312 CA PHE B 152 85.177 -2.783 4.382 1.00 0.00 C ATOM 1313 C PHE B 152 84.431 -3.691 5.358 1.00 0.00 C ATOM 1314 O PHE B 152 84.852 -3.894 6.482 1.00 0.00 O ATOM 1315 CB PHE B 152 84.334 -1.551 4.052 1.00 0.00 C ATOM 1316 CG PHE B 152 83.187 -1.442 5.031 1.00 0.00 C ATOM 1317 CD1 PHE B 152 83.406 -0.914 6.308 1.00 0.00 C ATOM 1318 CD2 PHE B 152 81.906 -1.867 4.658 1.00 0.00 C ATOM 1319 CE1 PHE B 152 82.343 -0.810 7.214 1.00 0.00 C ATOM 1320 CE2 PHE B 152 80.844 -1.763 5.564 1.00 0.00 C ATOM 1321 CZ PHE B 152 81.062 -1.235 6.842 1.00 0.00 C ATOM 0 H PHE B 152 85.071 -2.949 2.257 1.00 0.00 H new ATOM 0 HA PHE B 152 86.125 -2.518 4.851 1.00 0.00 H new ATOM 0 HB2 PHE B 152 84.951 -0.653 4.098 1.00 0.00 H new ATOM 0 HB3 PHE B 152 83.951 -1.623 3.034 1.00 0.00 H new ATOM 0 HD1 PHE B 152 84.394 -0.587 6.595 1.00 0.00 H new ATOM 0 HD2 PHE B 152 81.737 -2.275 3.672 1.00 0.00 H new ATOM 0 HE1 PHE B 152 82.512 -0.402 8.200 1.00 0.00 H new ATOM 0 HE2 PHE B 152 79.856 -2.090 5.277 1.00 0.00 H new ATOM 0 HZ PHE B 152 80.242 -1.156 7.541 1.00 0.00 H new ATOM 1331 N GLU B 153 83.323 -4.232 4.941 1.00 0.00 N ATOM 1332 CA GLU B 153 82.542 -5.122 5.843 1.00 0.00 C ATOM 1333 C GLU B 153 83.320 -6.411 6.120 1.00 0.00 C ATOM 1334 O GLU B 153 83.394 -6.872 7.240 1.00 0.00 O ATOM 1335 CB GLU B 153 81.251 -5.422 5.082 1.00 0.00 C ATOM 1336 CG GLU B 153 80.670 -6.753 5.563 1.00 0.00 C ATOM 1337 CD GLU B 153 79.303 -6.978 4.914 1.00 0.00 C ATOM 1338 OE1 GLU B 153 79.216 -6.855 3.704 1.00 0.00 O ATOM 1339 OE2 GLU B 153 78.367 -7.268 5.640 1.00 0.00 O1- ATOM 0 H GLU B 153 82.923 -4.096 4.013 1.00 0.00 H new ATOM 0 HA GLU B 153 82.345 -4.660 6.811 1.00 0.00 H new ATOM 0 HB2 GLU B 153 80.529 -4.620 5.239 1.00 0.00 H new ATOM 0 HB3 GLU B 153 81.450 -5.466 4.011 1.00 0.00 H new ATOM 0 HG2 GLU B 153 81.345 -7.570 5.307 1.00 0.00 H new ATOM 0 HG3 GLU B 153 80.573 -6.748 6.649 1.00 0.00 H new ATOM 1346 N ALA B 154 83.901 -6.996 5.108 1.00 0.00 N ATOM 1347 CA ALA B 154 84.671 -8.255 5.318 1.00 0.00 C ATOM 1348 C ALA B 154 85.719 -8.057 6.416 1.00 0.00 C ATOM 1349 O ALA B 154 85.874 -8.881 7.296 1.00 0.00 O ATOM 1350 CB ALA B 154 85.347 -8.535 3.976 1.00 0.00 C ATOM 0 H ALA B 154 83.876 -6.657 4.146 1.00 0.00 H new ATOM 0 HA ALA B 154 84.033 -9.081 5.633 1.00 0.00 H new ATOM 0 HB1 ALA B 154 85.935 -9.450 4.049 1.00 0.00 H new ATOM 0 HB2 ALA B 154 84.587 -8.653 3.203 1.00 0.00 H new ATOM 0 HB3 ALA B 154 86.001 -7.702 3.717 1.00 0.00 H new ATOM 1356 N HIS B 155 86.438 -6.969 6.374 1.00 0.00 N ATOM 1357 CA HIS B 155 87.474 -6.717 7.416 1.00 0.00 C ATOM 1358 C HIS B 155 86.817 -6.554 8.790 1.00 0.00 C ATOM 1359 O HIS B 155 87.122 -7.269 9.726 1.00 0.00 O ATOM 1360 CB HIS B 155 88.153 -5.415 6.988 1.00 0.00 C ATOM 1361 CG HIS B 155 89.617 -5.477 7.328 1.00 0.00 C ATOM 1362 ND1 HIS B 155 90.456 -6.454 6.815 1.00 0.00 N ATOM 1363 CD2 HIS B 155 90.407 -4.687 8.127 1.00 0.00 C ATOM 1364 CE1 HIS B 155 91.688 -6.229 7.307 1.00 0.00 C ATOM 1365 NE2 HIS B 155 91.714 -5.165 8.112 1.00 0.00 N ATOM 0 H HIS B 155 86.353 -6.243 5.663 1.00 0.00 H new ATOM 0 HA HIS B 155 88.184 -7.540 7.501 1.00 0.00 H new ATOM 0 HB2 HIS B 155 88.024 -5.260 5.917 1.00 0.00 H new ATOM 0 HB3 HIS B 155 87.688 -4.567 7.491 1.00 0.00 H new ATOM 0 HD1 HIS B 155 90.188 -7.206 6.180 1.00 0.00 H new ATOM 0 HD2 HIS B 155 90.066 -3.826 8.682 1.00 0.00 H new ATOM 0 HE1 HIS B 155 92.551 -6.836 7.078 1.00 0.00 H new ATOM 1373 N GLN B 156 85.918 -5.616 8.917 1.00 0.00 N ATOM 1374 CA GLN B 156 85.240 -5.400 10.229 1.00 0.00 C ATOM 1375 C GLN B 156 84.548 -6.684 10.697 1.00 0.00 C ATOM 1376 O GLN B 156 84.239 -6.842 11.861 1.00 0.00 O ATOM 1377 CB GLN B 156 84.210 -4.302 9.968 1.00 0.00 C ATOM 1378 CG GLN B 156 83.592 -3.855 11.294 1.00 0.00 C ATOM 1379 CD GLN B 156 82.701 -2.634 11.059 1.00 0.00 C ATOM 1380 OE1 GLN B 156 81.497 -2.708 11.207 1.00 0.00 O ATOM 1381 NE2 GLN B 156 83.246 -1.504 10.697 1.00 0.00 N ATOM 0 H GLN B 156 85.623 -4.989 8.169 1.00 0.00 H new ATOM 0 HA GLN B 156 85.946 -5.122 11.012 1.00 0.00 H new ATOM 0 HB2 GLN B 156 84.684 -3.455 9.472 1.00 0.00 H new ATOM 0 HB3 GLN B 156 83.433 -4.670 9.298 1.00 0.00 H new ATOM 0 HG2 GLN B 156 83.007 -4.667 11.726 1.00 0.00 H new ATOM 0 HG3 GLN B 156 84.378 -3.612 12.009 1.00 0.00 H new ATOM 0 HE21 GLN B 156 84.257 -1.442 10.573 1.00 0.00 H new ATOM 0 HE22 GLN B 156 82.661 -0.683 10.538 1.00 0.00 H new ATOM 1390 N TRP B 157 84.303 -7.602 9.803 1.00 0.00 N ATOM 1391 CA TRP B 157 83.633 -8.872 10.207 1.00 0.00 C ATOM 1392 C TRP B 157 84.664 -9.997 10.308 1.00 0.00 C ATOM 1393 O TRP B 157 84.465 -10.976 11.001 1.00 0.00 O ATOM 1394 CB TRP B 157 82.624 -9.164 9.095 1.00 0.00 C ATOM 1395 CG TRP B 157 81.380 -9.742 9.687 1.00 0.00 C ATOM 1396 CD1 TRP B 157 80.366 -9.021 10.218 1.00 0.00 C ATOM 1397 CD2 TRP B 157 80.998 -11.142 9.818 1.00 0.00 C ATOM 1398 NE1 TRP B 157 79.386 -9.888 10.666 1.00 0.00 N ATOM 1399 CE2 TRP B 157 79.730 -11.207 10.442 1.00 0.00 C ATOM 1400 CE3 TRP B 157 81.624 -12.350 9.459 1.00 0.00 C ATOM 1401 CZ2 TRP B 157 79.104 -12.426 10.701 1.00 0.00 C ATOM 1402 CZ3 TRP B 157 80.996 -13.579 9.718 1.00 0.00 C ATOM 1403 CH2 TRP B 157 79.739 -13.617 10.338 1.00 0.00 C ATOM 0 H TRP B 157 84.537 -7.529 8.813 1.00 0.00 H new ATOM 0 HA TRP B 157 83.149 -8.794 11.180 1.00 0.00 H new ATOM 0 HB2 TRP B 157 82.389 -8.248 8.553 1.00 0.00 H new ATOM 0 HB3 TRP B 157 83.053 -9.860 8.374 1.00 0.00 H new ATOM 0 HD1 TRP B 157 80.328 -7.944 10.282 1.00 0.00 H new ATOM 0 HE1 TRP B 157 78.516 -9.590 11.108 1.00 0.00 H new ATOM 0 HE3 TRP B 157 82.593 -12.332 8.982 1.00 0.00 H new ATOM 0 HZ2 TRP B 157 78.136 -12.450 11.179 1.00 0.00 H new ATOM 0 HZ3 TRP B 157 81.484 -14.501 9.438 1.00 0.00 H new ATOM 0 HH2 TRP B 157 79.262 -14.566 10.535 1.00 0.00 H new ATOM 1414 N PHE B 158 85.768 -9.863 9.625 1.00 0.00 N ATOM 1415 CA PHE B 158 86.813 -10.922 9.684 1.00 0.00 C ATOM 1416 C PHE B 158 87.596 -10.820 10.993 1.00 0.00 C ATOM 1417 O PHE B 158 88.241 -11.759 11.415 1.00 0.00 O ATOM 1418 CB PHE B 158 87.728 -10.645 8.490 1.00 0.00 C ATOM 1419 CG PHE B 158 87.250 -11.442 7.299 1.00 0.00 C ATOM 1420 CD1 PHE B 158 85.886 -11.705 7.134 1.00 0.00 C ATOM 1421 CD2 PHE B 158 88.173 -11.917 6.359 1.00 0.00 C ATOM 1422 CE1 PHE B 158 85.443 -12.444 6.030 1.00 0.00 C ATOM 1423 CE2 PHE B 158 87.732 -12.655 5.255 1.00 0.00 C ATOM 1424 CZ PHE B 158 86.366 -12.919 5.091 1.00 0.00 C ATOM 0 H PHE B 158 85.991 -9.066 9.029 1.00 0.00 H new ATOM 0 HA PHE B 158 86.386 -11.924 9.646 1.00 0.00 H new ATOM 0 HB2 PHE B 158 87.726 -9.581 8.255 1.00 0.00 H new ATOM 0 HB3 PHE B 158 88.755 -10.915 8.734 1.00 0.00 H new ATOM 0 HD1 PHE B 158 85.174 -11.338 7.858 1.00 0.00 H new ATOM 0 HD2 PHE B 158 89.226 -11.714 6.486 1.00 0.00 H new ATOM 0 HE1 PHE B 158 84.390 -12.647 5.903 1.00 0.00 H new ATOM 0 HE2 PHE B 158 88.444 -13.021 4.530 1.00 0.00 H new ATOM 0 HZ PHE B 158 86.025 -13.489 4.240 1.00 0.00 H new ATOM 1434 N LEU B 159 87.551 -9.687 11.637 1.00 0.00 N ATOM 1435 CA LEU B 159 88.301 -9.530 12.913 1.00 0.00 C ATOM 1436 C LEU B 159 87.970 -8.175 13.554 1.00 0.00 C ATOM 1437 O LEU B 159 86.843 -7.725 13.518 1.00 0.00 O ATOM 1438 CB LEU B 159 89.764 -9.603 12.494 1.00 0.00 C ATOM 1439 CG LEU B 159 90.031 -8.502 11.476 1.00 0.00 C ATOM 1440 CD1 LEU B 159 91.095 -7.542 12.013 1.00 0.00 C ATOM 1441 CD2 LEU B 159 90.518 -9.139 10.184 1.00 0.00 C ATOM 0 H LEU B 159 87.028 -8.865 11.335 1.00 0.00 H new ATOM 0 HA LEU B 159 88.051 -10.288 13.656 1.00 0.00 H new ATOM 0 HB2 LEU B 159 90.413 -9.482 13.361 1.00 0.00 H new ATOM 0 HB3 LEU B 159 89.986 -10.579 12.063 1.00 0.00 H new ATOM 0 HG LEU B 159 89.115 -7.941 11.291 1.00 0.00 H new ATOM 0 HD11 LEU B 159 91.281 -6.757 11.279 1.00 0.00 H new ATOM 0 HD12 LEU B 159 90.745 -7.094 12.943 1.00 0.00 H new ATOM 0 HD13 LEU B 159 92.019 -8.090 12.200 1.00 0.00 H new ATOM 0 HD21 LEU B 159 90.713 -8.361 9.446 1.00 0.00 H new ATOM 0 HD22 LEU B 159 91.435 -9.695 10.376 1.00 0.00 H new ATOM 0 HD23 LEU B 159 89.755 -9.818 9.803 1.00 0.00 H new ATOM 1453 N LYS B 160 88.937 -7.524 14.144 1.00 0.00 N ATOM 1454 CA LYS B 160 88.661 -6.206 14.785 1.00 0.00 C ATOM 1455 C LYS B 160 89.520 -5.109 14.149 1.00 0.00 C ATOM 1456 O LYS B 160 90.719 -5.059 14.338 1.00 0.00 O ATOM 1457 CB LYS B 160 89.036 -6.397 16.255 1.00 0.00 C ATOM 1458 CG LYS B 160 87.970 -7.251 16.944 1.00 0.00 C ATOM 1459 CD LYS B 160 88.528 -7.801 18.257 1.00 0.00 C ATOM 1460 CE LYS B 160 87.389 -7.960 19.267 1.00 0.00 C ATOM 1461 NZ LYS B 160 88.067 -8.081 20.589 1.00 0.00 N1+ ATOM 0 H LYS B 160 89.902 -7.847 14.210 1.00 0.00 H new ATOM 0 HA LYS B 160 87.622 -5.900 14.663 1.00 0.00 H new ATOM 0 HB2 LYS B 160 90.011 -6.879 16.334 1.00 0.00 H new ATOM 0 HB3 LYS B 160 89.118 -5.429 16.750 1.00 0.00 H new ATOM 0 HG2 LYS B 160 87.079 -6.654 17.137 1.00 0.00 H new ATOM 0 HG3 LYS B 160 87.669 -8.071 16.292 1.00 0.00 H new ATOM 0 HD2 LYS B 160 89.013 -8.762 18.085 1.00 0.00 H new ATOM 0 HD3 LYS B 160 89.288 -7.127 18.652 1.00 0.00 H new ATOM 0 HE2 LYS B 160 86.717 -7.102 19.244 1.00 0.00 H new ATOM 0 HE3 LYS B 160 86.787 -8.842 19.049 1.00 0.00 H new ATOM 0 HZ1 LYS B 160 87.353 -8.194 21.336 1.00 0.00 H new ATOM 0 HZ2 LYS B 160 88.695 -8.910 20.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 160 88.627 -7.224 20.772 1.00 0.00 H new ATOM 1475 N HIS B 161 88.916 -4.227 13.402 1.00 0.00 N ATOM 1476 CA HIS B 161 89.696 -3.130 12.761 1.00 0.00 C ATOM 1477 C HIS B 161 88.916 -1.815 12.840 1.00 0.00 C ATOM 1478 O HIS B 161 87.700 -1.804 12.855 1.00 0.00 O ATOM 1479 CB HIS B 161 89.874 -3.562 11.305 1.00 0.00 C ATOM 1480 CG HIS B 161 91.216 -3.100 10.805 1.00 0.00 C ATOM 1481 ND1 HIS B 161 91.517 -1.759 10.630 1.00 0.00 N ATOM 1482 CD2 HIS B 161 92.347 -3.789 10.441 1.00 0.00 C ATOM 1483 CE1 HIS B 161 92.783 -1.682 10.178 1.00 0.00 C ATOM 1484 NE2 HIS B 161 93.334 -2.892 10.045 1.00 0.00 N ATOM 0 H HIS B 161 87.915 -4.218 13.207 1.00 0.00 H new ATOM 0 HA HIS B 161 90.654 -2.963 13.253 1.00 0.00 H new ATOM 0 HB2 HIS B 161 89.798 -4.646 11.224 1.00 0.00 H new ATOM 0 HB3 HIS B 161 89.080 -3.140 10.690 1.00 0.00 H new ATOM 0 HD2 HIS B 161 92.454 -4.864 10.459 1.00 0.00 H new ATOM 0 HE1 HIS B 161 93.291 -0.756 9.951 1.00 0.00 H new ATOM 0 HE2 HIS B 161 94.276 -3.111 9.722 1.00 0.00 H new ATOM 1492 N GLU B 162 89.602 -0.707 12.893 1.00 0.00 N ATOM 1493 CA GLU B 162 88.895 0.604 12.973 1.00 0.00 C ATOM 1494 C GLU B 162 89.116 1.407 11.688 1.00 0.00 C ATOM 1495 O GLU B 162 90.214 1.839 11.395 1.00 0.00 O ATOM 1496 CB GLU B 162 89.526 1.320 14.168 1.00 0.00 C ATOM 1497 CG GLU B 162 88.587 2.427 14.652 1.00 0.00 C ATOM 1498 CD GLU B 162 87.682 1.881 15.759 1.00 0.00 C ATOM 1499 OE1 GLU B 162 88.147 1.049 16.521 1.00 0.00 O ATOM 1500 OE2 GLU B 162 86.540 2.304 15.826 1.00 0.00 O1- ATOM 0 H GLU B 162 90.620 -0.652 12.884 1.00 0.00 H new ATOM 0 HA GLU B 162 87.818 0.485 13.089 1.00 0.00 H new ATOM 0 HB2 GLU B 162 89.714 0.610 14.973 1.00 0.00 H new ATOM 0 HB3 GLU B 162 90.490 1.744 13.885 1.00 0.00 H new ATOM 0 HG2 GLU B 162 89.166 3.272 15.025 1.00 0.00 H new ATOM 0 HG3 GLU B 162 87.983 2.795 13.822 1.00 0.00 H new ATOM 1507 N ALA B 163 88.081 1.613 10.920 1.00 0.00 N ATOM 1508 CA ALA B 163 88.233 2.389 9.655 1.00 0.00 C ATOM 1509 C ALA B 163 87.377 3.658 9.711 1.00 0.00 C ATOM 1510 O ALA B 163 86.230 3.626 10.109 1.00 0.00 O ATOM 1511 CB ALA B 163 87.735 1.455 8.551 1.00 0.00 C ATOM 0 H ALA B 163 87.137 1.278 11.113 1.00 0.00 H new ATOM 0 HA ALA B 163 89.262 2.705 9.485 1.00 0.00 H new ATOM 0 HB1 ALA B 163 87.816 1.956 7.586 1.00 0.00 H new ATOM 0 HB2 ALA B 163 88.340 0.549 8.541 1.00 0.00 H new ATOM 0 HB3 ALA B 163 86.694 1.193 8.738 1.00 0.00 H new ATOM 1517 N ARG B 164 87.925 4.775 9.316 1.00 0.00 N ATOM 1518 CA ARG B 164 87.141 6.042 9.348 1.00 0.00 C ATOM 1519 C ARG B 164 86.449 6.271 8.001 1.00 0.00 C ATOM 1520 O ARG B 164 86.853 5.723 6.994 1.00 0.00 O ATOM 1521 CB ARG B 164 88.172 7.140 9.613 1.00 0.00 C ATOM 1522 CG ARG B 164 88.961 6.806 10.881 1.00 0.00 C ATOM 1523 CD ARG B 164 88.031 6.877 12.094 1.00 0.00 C ATOM 1524 NE ARG B 164 87.616 8.306 12.174 1.00 0.00 N ATOM 1525 CZ ARG B 164 88.250 9.127 12.965 1.00 0.00 C ATOM 1526 NH1 ARG B 164 88.568 8.753 14.175 1.00 0.00 N ATOM 1527 NH2 ARG B 164 88.567 10.323 12.548 1.00 0.00 N1+ ATOM 0 H ARG B 164 88.881 4.865 8.973 1.00 0.00 H new ATOM 0 HA ARG B 164 86.360 6.024 10.108 1.00 0.00 H new ATOM 0 HB2 ARG B 164 88.849 7.230 8.764 1.00 0.00 H new ATOM 0 HB3 ARG B 164 87.673 8.102 9.726 1.00 0.00 H new ATOM 0 HG2 ARG B 164 89.395 5.809 10.800 1.00 0.00 H new ATOM 0 HG3 ARG B 164 89.788 7.505 11.002 1.00 0.00 H new ATOM 0 HD2 ARG B 164 87.169 6.221 11.970 1.00 0.00 H new ATOM 0 HD3 ARG B 164 88.543 6.562 13.004 1.00 0.00 H new ATOM 0 HE ARG B 164 86.836 8.642 11.610 1.00 0.00 H new ATOM 0 HH11 ARG B 164 88.321 7.819 14.502 1.00 0.00 H new ATOM 0 HH12 ARG B 164 89.064 9.395 14.793 1.00 0.00 H new ATOM 0 HH21 ARG B 164 88.319 10.616 11.603 1.00 0.00 H new ATOM 0 HH22 ARG B 164 89.063 10.964 13.167 1.00 0.00 H new ATOM 1541 N PRO B 165 85.426 7.081 8.033 1.00 0.00 N ATOM 1542 CA PRO B 165 84.664 7.393 6.800 1.00 0.00 C ATOM 1543 C PRO B 165 85.477 8.316 5.889 1.00 0.00 C ATOM 1544 O PRO B 165 86.163 9.209 6.345 1.00 0.00 O ATOM 1545 CB PRO B 165 83.416 8.100 7.321 1.00 0.00 C ATOM 1546 CG PRO B 165 83.818 8.673 8.643 1.00 0.00 C ATOM 1547 CD PRO B 165 84.888 7.773 9.209 1.00 0.00 C ATOM 0 HA PRO B 165 84.430 6.511 6.204 1.00 0.00 H new ATOM 0 HB2 PRO B 165 83.090 8.882 6.635 1.00 0.00 H new ATOM 0 HB3 PRO B 165 82.584 7.404 7.429 1.00 0.00 H new ATOM 0 HG2 PRO B 165 84.193 9.690 8.524 1.00 0.00 H new ATOM 0 HG3 PRO B 165 82.963 8.725 9.316 1.00 0.00 H new ATOM 0 HD2 PRO B 165 85.660 8.345 9.724 1.00 0.00 H new ATOM 0 HD3 PRO B 165 84.477 7.070 9.933 1.00 0.00 H new ATOM 1555 N LEU B 166 85.407 8.106 4.603 1.00 0.00 N ATOM 1556 CA LEU B 166 86.175 8.969 3.660 1.00 0.00 C ATOM 1557 C LEU B 166 85.789 10.439 3.849 1.00 0.00 C ATOM 1558 O LEU B 166 86.554 11.334 3.554 1.00 0.00 O ATOM 1559 CB LEU B 166 85.774 8.484 2.267 1.00 0.00 C ATOM 1560 CG LEU B 166 86.939 7.718 1.637 1.00 0.00 C ATOM 1561 CD1 LEU B 166 87.248 6.477 2.479 1.00 0.00 C ATOM 1562 CD2 LEU B 166 86.557 7.289 0.219 1.00 0.00 C ATOM 0 H LEU B 166 84.850 7.373 4.164 1.00 0.00 H new ATOM 0 HA LEU B 166 87.251 8.902 3.823 1.00 0.00 H new ATOM 0 HB2 LEU B 166 84.896 7.841 2.333 1.00 0.00 H new ATOM 0 HB3 LEU B 166 85.501 9.333 1.640 1.00 0.00 H new ATOM 0 HG LEU B 166 87.819 8.360 1.599 1.00 0.00 H new ATOM 0 HD11 LEU B 166 88.078 5.931 2.031 1.00 0.00 H new ATOM 0 HD12 LEU B 166 87.518 6.781 3.490 1.00 0.00 H new ATOM 0 HD13 LEU B 166 86.368 5.834 2.516 1.00 0.00 H new ATOM 0 HD21 LEU B 166 87.386 6.743 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU B 166 85.678 6.646 0.258 1.00 0.00 H new ATOM 0 HD23 LEU B 166 86.335 8.172 -0.381 1.00 0.00 H new