USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 454 THR OG1 : rot -66:sc= 0.637 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 0.579 USER MOD Set 2.1: A 450 THR OG1 : rot 97:sc= 0.378 USER MOD Set 2.2: A 455 TYR OH : rot 130:sc= 0.309 USER MOD Set 3.1: A 409 SER OG : rot 180:sc= -0.0341 USER MOD Set 3.2: A 442 THR OG1 : rot 180:sc= 0 USER MOD Set 3.3: A 443 SER OG : rot -33:sc= -0.427 USER MOD Set 4.1: A 416 THR OG1 : rot 140:sc= 1.27 USER MOD Set 4.2: A 419 TYR OH : rot 143:sc= 0.391 USER MOD Set 5.1: A 407 THR OG1 : rot -60:sc= 1.2 USER MOD Set 5.2: A 445 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 404 SER OG : rot 170:sc= 0 USER MOD Single : A 405 GLN : amide:sc= 0.397 K(o=0.4,f=-3.9!) USER MOD Single : A 406 THR OG1 : rot -170:sc= -0.941 USER MOD Single : A 414 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 423 CYS SG : rot 120:sc= -10.7! USER MOD Single : A 424 HIS : no HD1:sc= -0.609 X(o=-0.61,f=-1) USER MOD Single : A 428 THR OG1 : rot 180:sc= -0.714 USER MOD Single : A 434 GLN : amide:sc= 0.12 K(o=0.12,f=-0.81) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.00193 USER MOD Single : A 441 SER OG : rot 180:sc= -0.0617 USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 456 ASN : amide:sc= -1.64! C(o=-1.6!,f=-4.4!) USER MOD Single : A 463 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.1) USER MOD Single : A 465 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 468 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 469 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0076) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 14.749 4.520 -1.599 1.00 0.30 N ATOM 121 CA SER A 404 14.141 4.119 -2.840 1.00 0.27 C ATOM 122 C SER A 404 12.662 4.452 -2.791 1.00 0.28 C ATOM 123 O SER A 404 12.019 4.313 -1.747 1.00 0.43 O ATOM 124 CB SER A 404 14.366 2.633 -3.078 1.00 0.28 C ATOM 125 OG SER A 404 13.906 2.236 -4.359 1.00 1.04 O ATOM 0 HA SER A 404 14.597 4.657 -3.671 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.428 2.405 -2.985 1.00 0.28 H new ATOM 0 HB3 SER A 404 13.848 2.058 -2.310 1.00 0.28 H new ATOM 0 HG SER A 404 14.207 1.322 -4.546 1.00 1.04 H new ATOM 131 N GLN A 405 12.135 4.927 -3.902 1.00 0.26 N ATOM 132 CA GLN A 405 10.747 5.333 -3.949 1.00 0.26 C ATOM 133 C GLN A 405 9.948 4.357 -4.786 1.00 0.27 C ATOM 134 O GLN A 405 10.080 4.317 -6.008 1.00 0.43 O ATOM 135 CB GLN A 405 10.589 6.736 -4.537 1.00 0.30 C ATOM 136 CG GLN A 405 11.821 7.623 -4.439 1.00 0.33 C ATOM 137 CD GLN A 405 12.726 7.477 -5.654 1.00 0.58 C ATOM 138 OE1 GLN A 405 12.818 6.401 -6.245 1.00 0.99 O ATOM 139 NE2 GLN A 405 13.383 8.556 -6.057 1.00 0.91 N ATOM 0 H GLN A 405 12.644 5.040 -4.779 1.00 0.26 H new ATOM 0 HA GLN A 405 10.375 5.342 -2.924 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.311 6.643 -5.587 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.762 7.234 -4.031 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.512 8.664 -4.340 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.380 7.369 -3.538 1.00 0.33 H new ATOM 0 HE21 GLN A 405 13.286 9.433 -5.546 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.986 8.509 -6.879 1.00 0.91 H new ATOM 148 N THR A 406 9.120 3.575 -4.130 1.00 0.18 N ATOM 149 CA THR A 406 8.255 2.658 -4.821 1.00 0.19 C ATOM 150 C THR A 406 6.925 3.306 -5.104 1.00 0.17 C ATOM 151 O THR A 406 6.060 3.414 -4.237 1.00 0.16 O ATOM 152 CB THR A 406 8.042 1.378 -4.002 1.00 0.21 C ATOM 153 OG1 THR A 406 9.302 0.748 -3.752 1.00 0.27 O ATOM 154 CG2 THR A 406 7.121 0.419 -4.718 1.00 0.29 C ATOM 0 H THR A 406 9.031 3.559 -3.114 1.00 0.18 H new ATOM 0 HA THR A 406 8.734 2.391 -5.763 1.00 0.19 H new ATOM 0 HB THR A 406 7.577 1.652 -3.055 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.153 -0.142 -3.370 1.00 0.27 H new ATOM 0 HG21 THR A 406 6.989 -0.478 -4.114 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.153 0.895 -4.878 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.555 0.148 -5.680 1.00 0.29 H new ATOM 162 N THR A 407 6.796 3.771 -6.315 1.00 0.19 N ATOM 163 CA THR A 407 5.536 4.228 -6.808 1.00 0.19 C ATOM 164 C THR A 407 4.646 3.025 -7.050 1.00 0.19 C ATOM 165 O THR A 407 4.830 2.274 -8.011 1.00 0.26 O ATOM 166 CB THR A 407 5.735 5.016 -8.099 1.00 0.24 C ATOM 167 OG1 THR A 407 6.471 6.217 -7.827 1.00 0.26 O ATOM 168 CG2 THR A 407 4.399 5.344 -8.773 1.00 0.24 C ATOM 0 H THR A 407 7.563 3.842 -6.984 1.00 0.19 H new ATOM 0 HA THR A 407 5.066 4.887 -6.078 1.00 0.19 H new ATOM 0 HB THR A 407 6.304 4.395 -8.791 1.00 0.24 H new ATOM 0 HG1 THR A 407 5.972 6.769 -7.189 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.582 5.906 -9.689 1.00 0.24 H new ATOM 0 HG22 THR A 407 3.876 4.418 -9.013 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.787 5.942 -8.097 1.00 0.24 H new ATOM 176 N ILE A 408 3.710 2.826 -6.156 1.00 0.21 N ATOM 177 CA ILE A 408 2.813 1.695 -6.258 1.00 0.21 C ATOM 178 C ILE A 408 1.419 2.188 -6.501 1.00 0.18 C ATOM 179 O ILE A 408 0.928 3.093 -5.826 1.00 0.16 O ATOM 180 CB ILE A 408 2.864 0.710 -5.045 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.575 -0.110 -4.942 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.111 1.417 -3.721 1.00 0.25 C ATOM 183 CD1 ILE A 408 1.777 -1.501 -4.387 1.00 0.27 C ATOM 0 H ILE A 408 3.547 3.429 -5.350 1.00 0.21 H new ATOM 0 HA ILE A 408 3.157 1.101 -7.104 1.00 0.21 H new ATOM 0 HB ILE A 408 3.708 0.047 -5.237 1.00 0.23 H new ATOM 0 HG12 ILE A 408 0.866 0.424 -4.309 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.124 -0.186 -5.932 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.136 0.683 -2.916 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.065 1.944 -3.762 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.309 2.132 -3.535 1.00 0.25 H new ATOM 0 HD11 ILE A 408 0.819 -2.019 -4.345 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.460 -2.054 -5.031 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.198 -1.435 -3.384 1.00 0.27 H new ATOM 195 N SER A 409 0.819 1.624 -7.513 1.00 0.18 N ATOM 196 CA SER A 409 -0.495 2.026 -7.924 1.00 0.16 C ATOM 197 C SER A 409 -1.450 0.850 -7.854 1.00 0.13 C ATOM 198 O SER A 409 -1.074 -0.293 -8.104 1.00 0.15 O ATOM 199 CB SER A 409 -0.446 2.601 -9.333 1.00 0.21 C ATOM 200 OG SER A 409 0.668 3.469 -9.493 1.00 0.71 O ATOM 0 H SER A 409 1.227 0.876 -8.073 1.00 0.18 H new ATOM 0 HA SER A 409 -0.859 2.800 -7.248 1.00 0.16 H new ATOM 0 HB2 SER A 409 -0.386 1.790 -10.058 1.00 0.21 H new ATOM 0 HB3 SER A 409 -1.368 3.145 -9.539 1.00 0.21 H new ATOM 0 HG SER A 409 0.678 3.824 -10.406 1.00 0.71 H new ATOM 206 N TRP A 410 -2.676 1.149 -7.518 1.00 0.16 N ATOM 207 CA TRP A 410 -3.699 0.140 -7.311 1.00 0.17 C ATOM 208 C TRP A 410 -4.959 0.578 -7.971 1.00 0.18 C ATOM 209 O TRP A 410 -5.115 1.740 -8.347 1.00 0.19 O ATOM 210 CB TRP A 410 -3.946 -0.093 -5.820 1.00 0.16 C ATOM 211 CG TRP A 410 -4.281 1.162 -5.059 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.519 1.687 -4.774 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.330 2.063 -4.500 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.374 2.847 -4.051 1.00 0.13 N ATOM 215 CE2 TRP A 410 -4.039 3.100 -3.875 1.00 0.12 C ATOM 216 CE3 TRP A 410 -1.941 2.081 -4.470 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.397 4.149 -3.222 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.302 3.115 -3.831 1.00 0.15 C ATOM 219 CH2 TRP A 410 -2.028 4.141 -3.212 1.00 0.14 C ATOM 0 H TRP A 410 -3.003 2.105 -7.377 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.359 -0.799 -7.747 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.761 -0.807 -5.703 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -3.058 -0.548 -5.380 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.462 1.254 -5.073 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.137 3.426 -3.702 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.372 1.294 -4.942 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.957 4.938 -2.742 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.223 3.138 -3.805 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.497 4.941 -2.717 1.00 0.14 H new ATOM 230 N ALA A 411 -5.850 -0.355 -8.120 1.00 0.19 N ATOM 231 CA ALA A 411 -7.063 -0.088 -8.781 1.00 0.22 C ATOM 232 C ALA A 411 -8.084 0.469 -7.821 1.00 0.19 C ATOM 233 O ALA A 411 -8.251 -0.019 -6.700 1.00 0.19 O ATOM 234 CB ALA A 411 -7.563 -1.323 -9.465 1.00 0.26 C ATOM 0 H ALA A 411 -5.745 -1.313 -7.784 1.00 0.19 H new ATOM 0 HA ALA A 411 -6.888 0.670 -9.544 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.502 -1.103 -9.973 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -6.826 -1.658 -10.195 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -7.725 -2.108 -8.726 1.00 0.26 H new ATOM 240 N PRO A 412 -8.757 1.513 -8.279 1.00 0.20 N ATOM 241 CA PRO A 412 -9.730 2.252 -7.503 1.00 0.19 C ATOM 242 C PRO A 412 -10.726 1.347 -6.824 1.00 0.20 C ATOM 243 O PRO A 412 -11.428 0.569 -7.474 1.00 0.23 O ATOM 244 CB PRO A 412 -10.468 3.096 -8.521 1.00 0.24 C ATOM 245 CG PRO A 412 -9.659 3.081 -9.777 1.00 0.26 C ATOM 246 CD PRO A 412 -8.597 2.031 -9.631 1.00 0.23 C ATOM 0 HA PRO A 412 -9.237 2.825 -6.718 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.466 2.696 -8.701 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.594 4.116 -8.157 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.293 2.865 -10.637 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.208 4.058 -9.952 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -8.719 1.241 -10.372 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.603 2.453 -9.776 1.00 0.23 H new ATOM 254 N PHE A 413 -10.789 1.454 -5.520 1.00 0.21 N ATOM 255 CA PHE A 413 -11.717 0.667 -4.760 1.00 0.30 C ATOM 256 C PHE A 413 -13.091 1.336 -4.747 1.00 0.51 C ATOM 257 O PHE A 413 -13.901 1.061 -5.633 1.00 1.35 O ATOM 258 CB PHE A 413 -11.157 0.414 -3.356 1.00 0.30 C ATOM 259 CG PHE A 413 -12.092 -0.298 -2.430 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.554 0.309 -1.277 1.00 0.36 C ATOM 261 CD2 PHE A 413 -12.510 -1.575 -2.729 1.00 0.51 C ATOM 262 CE1 PHE A 413 -13.421 -0.355 -0.433 1.00 0.45 C ATOM 263 CE2 PHE A 413 -13.374 -2.249 -1.892 1.00 0.61 C ATOM 264 CZ PHE A 413 -13.818 -1.593 -0.690 1.00 0.57 C ATOM 0 H PHE A 413 -10.206 2.081 -4.965 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.851 -0.308 -5.229 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -10.241 -0.169 -3.445 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.884 1.371 -2.910 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.234 1.312 -1.035 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -12.157 -2.055 -3.630 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.783 0.144 0.454 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -13.710 -3.247 -2.133 1.00 0.61 H new ATOM 0 HZ PHE A 413 -14.472 -2.107 -0.001 1.00 0.57 H new ATOM 274 N GLN A 414 -13.339 2.230 -3.782 1.00 0.54 N ATOM 275 CA GLN A 414 -14.609 3.005 -3.744 1.00 0.53 C ATOM 276 C GLN A 414 -14.763 3.765 -2.460 1.00 0.44 C ATOM 277 O GLN A 414 -14.938 3.212 -1.373 1.00 0.48 O ATOM 278 CB GLN A 414 -15.876 2.155 -4.014 1.00 0.71 C ATOM 279 CG GLN A 414 -17.174 2.838 -3.597 1.00 1.28 C ATOM 280 CD GLN A 414 -18.406 1.994 -3.872 1.00 1.51 C ATOM 281 OE1 GLN A 414 -18.959 2.039 -4.968 1.00 2.11 O ATOM 282 NE2 GLN A 414 -18.875 1.249 -2.871 1.00 1.89 N ATOM 0 H GLN A 414 -12.693 2.441 -3.021 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.525 3.712 -4.569 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -15.925 1.920 -5.077 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -15.787 1.208 -3.482 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -17.130 3.070 -2.533 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -17.265 3.786 -4.127 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.389 1.236 -1.974 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -19.719 0.692 -3.002 1.00 1.89 H new ATOM 291 N ASP A 415 -14.698 5.055 -2.666 1.00 0.39 N ATOM 292 CA ASP A 415 -14.889 6.073 -1.662 1.00 0.34 C ATOM 293 C ASP A 415 -14.182 5.765 -0.362 1.00 0.31 C ATOM 294 O ASP A 415 -14.735 5.944 0.721 1.00 0.35 O ATOM 295 CB ASP A 415 -16.367 6.318 -1.384 1.00 0.40 C ATOM 296 CG ASP A 415 -17.134 6.768 -2.604 1.00 0.45 C ATOM 297 OD1 ASP A 415 -18.242 6.244 -2.846 1.00 0.58 O ATOM 298 OD2 ASP A 415 -16.626 7.650 -3.327 1.00 0.59 O ATOM 0 H ASP A 415 -14.500 5.446 -3.587 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.443 6.976 -2.080 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.815 5.402 -0.999 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.463 7.073 -0.603 1.00 0.40 H new ATOM 303 N THR A 416 -12.957 5.344 -0.479 1.00 0.27 N ATOM 304 CA THR A 416 -12.146 4.978 0.654 1.00 0.23 C ATOM 305 C THR A 416 -11.787 6.218 1.464 1.00 0.24 C ATOM 306 O THR A 416 -11.678 7.312 0.917 1.00 0.25 O ATOM 307 CB THR A 416 -10.876 4.295 0.146 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.230 3.187 -0.692 1.00 0.22 O ATOM 309 CG2 THR A 416 -10.014 3.824 1.295 1.00 0.22 C ATOM 0 H THR A 416 -12.482 5.242 -1.376 1.00 0.27 H new ATOM 0 HA THR A 416 -12.699 4.296 1.299 1.00 0.23 H new ATOM 0 HB THR A 416 -10.300 5.019 -0.430 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.621 3.149 -1.459 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.118 3.342 0.904 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.728 4.678 1.909 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.574 3.112 1.901 1.00 0.22 H new ATOM 317 N SER A 417 -11.700 6.070 2.778 1.00 0.25 N ATOM 318 CA SER A 417 -11.321 7.181 3.625 1.00 0.28 C ATOM 319 C SER A 417 -9.816 7.354 3.544 1.00 0.27 C ATOM 320 O SER A 417 -9.306 8.471 3.440 1.00 0.33 O ATOM 321 CB SER A 417 -11.737 6.921 5.069 1.00 0.32 C ATOM 322 OG SER A 417 -11.502 8.052 5.887 1.00 1.14 O ATOM 0 H SER A 417 -11.886 5.198 3.273 1.00 0.25 H new ATOM 0 HA SER A 417 -11.824 8.087 3.286 1.00 0.28 H new ATOM 0 HB2 SER A 417 -12.795 6.659 5.103 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.185 6.067 5.460 1.00 0.32 H new ATOM 0 HG SER A 417 -11.780 7.855 6.806 1.00 1.14 H new ATOM 328 N GLU A 418 -9.124 6.219 3.549 1.00 0.23 N ATOM 329 CA GLU A 418 -7.665 6.184 3.524 1.00 0.25 C ATOM 330 C GLU A 418 -7.164 4.877 2.953 1.00 0.19 C ATOM 331 O GLU A 418 -7.723 3.820 3.216 1.00 0.28 O ATOM 332 CB GLU A 418 -7.078 6.342 4.927 1.00 0.36 C ATOM 333 CG GLU A 418 -7.286 7.714 5.500 1.00 0.84 C ATOM 334 CD GLU A 418 -6.707 7.882 6.889 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.500 8.171 7.008 1.00 1.31 O ATOM 336 OE2 GLU A 418 -7.467 7.740 7.875 1.00 1.37 O ATOM 0 H GLU A 418 -9.559 5.297 3.571 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.345 7.015 2.896 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.532 5.605 5.590 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -6.010 6.126 4.894 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -6.833 8.449 4.835 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -8.354 7.928 5.532 1.00 0.84 H new ATOM 343 N TYR A 419 -6.100 4.948 2.191 1.00 0.17 N ATOM 344 CA TYR A 419 -5.444 3.734 1.724 1.00 0.16 C ATOM 345 C TYR A 419 -4.139 3.577 2.465 1.00 0.19 C ATOM 346 O TYR A 419 -3.159 4.263 2.174 1.00 0.29 O ATOM 347 CB TYR A 419 -5.177 3.731 0.210 1.00 0.16 C ATOM 348 CG TYR A 419 -6.438 3.777 -0.674 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.224 2.633 -0.894 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.843 4.953 -1.307 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.352 2.677 -1.706 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.967 4.982 -2.109 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.710 3.852 -2.303 1.00 0.14 C ATOM 354 OH TYR A 419 -9.841 3.900 -3.090 1.00 0.19 O ATOM 0 H TYR A 419 -5.668 5.818 1.880 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.118 2.901 1.922 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.549 4.588 -0.035 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.608 2.836 -0.042 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.947 1.701 -0.423 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.267 5.856 -1.167 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.942 1.786 -1.864 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -8.261 5.905 -2.586 1.00 0.18 H new ATOM 0 HH TYR A 419 -10.293 4.760 -2.961 1.00 0.19 H new ATOM 364 N ILE A 420 -4.139 2.700 3.449 1.00 0.18 N ATOM 365 CA ILE A 420 -2.947 2.459 4.227 1.00 0.18 C ATOM 366 C ILE A 420 -2.128 1.372 3.578 1.00 0.17 C ATOM 367 O ILE A 420 -2.581 0.237 3.415 1.00 0.21 O ATOM 368 CB ILE A 420 -3.265 2.082 5.681 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.947 3.272 6.345 1.00 0.32 C ATOM 370 CG2 ILE A 420 -1.983 1.704 6.438 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.897 2.901 7.442 1.00 0.32 C ATOM 0 H ILE A 420 -4.949 2.146 3.726 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.378 3.388 4.253 1.00 0.18 H new ATOM 0 HB ILE A 420 -3.925 1.215 5.701 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -3.183 3.935 6.750 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.489 3.836 5.586 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.232 1.440 7.466 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.510 0.852 5.949 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.297 2.551 6.436 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.339 3.805 7.861 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.685 2.264 7.041 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.359 2.364 8.223 1.00 0.32 H new ATOM 383 N ILE A 421 -0.936 1.737 3.191 1.00 0.15 N ATOM 384 CA ILE A 421 -0.046 0.815 2.532 1.00 0.18 C ATOM 385 C ILE A 421 0.962 0.310 3.531 1.00 0.19 C ATOM 386 O ILE A 421 1.715 1.087 4.122 1.00 0.30 O ATOM 387 CB ILE A 421 0.699 1.465 1.358 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.295 1.942 0.301 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.674 0.454 0.768 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.212 3.089 -0.538 1.00 0.32 C ATOM 0 H ILE A 421 -0.555 2.674 3.321 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.648 -0.001 2.133 1.00 0.18 H new ATOM 0 HB ILE A 421 1.255 2.334 1.710 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.543 1.107 -0.354 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.218 2.245 0.795 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.208 0.908 -0.067 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.389 0.149 1.532 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.124 -0.419 0.416 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.549 3.372 -1.265 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.433 3.941 0.105 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.119 2.784 -1.061 1.00 0.32 H new ATOM 402 N SER A 422 0.960 -0.979 3.726 1.00 0.14 N ATOM 403 CA SER A 422 1.923 -1.601 4.602 1.00 0.14 C ATOM 404 C SER A 422 3.065 -2.168 3.788 1.00 0.16 C ATOM 405 O SER A 422 2.896 -2.569 2.641 1.00 0.36 O ATOM 406 CB SER A 422 1.315 -2.707 5.471 1.00 0.18 C ATOM 407 OG SER A 422 0.725 -2.188 6.658 1.00 0.88 O ATOM 0 H SER A 422 0.301 -1.624 3.290 1.00 0.14 H new ATOM 0 HA SER A 422 2.284 -0.825 5.277 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.561 -3.246 4.897 1.00 0.18 H new ATOM 0 HB3 SER A 422 2.089 -3.427 5.736 1.00 0.18 H new ATOM 0 HG SER A 422 0.347 -2.923 7.184 1.00 0.88 H new ATOM 413 N CYS A 423 4.221 -2.179 4.395 1.00 0.14 N ATOM 414 CA CYS A 423 5.419 -2.682 3.763 1.00 0.12 C ATOM 415 C CYS A 423 6.205 -3.526 4.747 1.00 0.12 C ATOM 416 O CYS A 423 6.916 -2.993 5.593 1.00 0.13 O ATOM 417 CB CYS A 423 6.266 -1.519 3.277 1.00 0.14 C ATOM 418 SG CYS A 423 7.129 -1.834 1.732 1.00 0.95 S ATOM 0 H CYS A 423 4.363 -1.839 5.346 1.00 0.14 H new ATOM 0 HA CYS A 423 5.144 -3.302 2.910 1.00 0.12 H new ATOM 0 HB2 CYS A 423 5.626 -0.645 3.152 1.00 0.14 H new ATOM 0 HB3 CYS A 423 6.998 -1.271 4.045 1.00 0.14 H new ATOM 0 HG CYS A 423 6.748 -0.970 0.838 1.00 0.95 H new ATOM 424 N HIS A 424 6.062 -4.837 4.645 1.00 0.13 N ATOM 425 CA HIS A 424 6.728 -5.751 5.567 1.00 0.15 C ATOM 426 C HIS A 424 8.038 -6.245 4.986 1.00 0.15 C ATOM 427 O HIS A 424 8.060 -6.972 3.997 1.00 0.16 O ATOM 428 CB HIS A 424 5.860 -6.955 5.878 1.00 0.18 C ATOM 429 CG HIS A 424 4.646 -6.681 6.710 1.00 0.19 C ATOM 430 ND1 HIS A 424 4.587 -6.940 8.062 1.00 0.24 N ATOM 431 CD2 HIS A 424 3.427 -6.204 6.368 1.00 0.24 C ATOM 432 CE1 HIS A 424 3.386 -6.634 8.514 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.662 -6.185 7.507 1.00 0.25 N ATOM 0 H HIS A 424 5.492 -5.295 3.934 1.00 0.13 H new ATOM 0 HA HIS A 424 6.914 -5.192 6.484 1.00 0.15 H new ATOM 0 HB2 HIS A 424 5.540 -7.402 4.937 1.00 0.18 H new ATOM 0 HB3 HIS A 424 6.471 -7.697 6.392 1.00 0.18 H new ATOM 0 HD2 HIS A 424 3.114 -5.895 5.381 1.00 0.24 H new ATOM 0 HE1 HIS A 424 3.052 -6.734 9.536 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.692 -5.874 7.565 1.00 0.25 H new ATOM 442 N PRO A 425 9.135 -5.850 5.606 1.00 0.17 N ATOM 443 CA PRO A 425 10.471 -6.236 5.182 1.00 0.17 C ATOM 444 C PRO A 425 10.756 -7.703 5.396 1.00 0.18 C ATOM 445 O PRO A 425 10.631 -8.249 6.495 1.00 0.24 O ATOM 446 CB PRO A 425 11.413 -5.372 6.014 1.00 0.21 C ATOM 447 CG PRO A 425 10.586 -4.768 7.100 1.00 0.32 C ATOM 448 CD PRO A 425 9.133 -4.959 6.759 1.00 0.22 C ATOM 0 HA PRO A 425 10.594 -6.083 4.110 1.00 0.17 H new ATOM 0 HB2 PRO A 425 12.223 -5.971 6.431 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.873 -4.597 5.400 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.815 -5.238 8.056 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.814 -3.707 7.204 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.585 -5.394 7.594 1.00 0.22 H new ATOM 0 HD3 PRO A 425 8.654 -4.009 6.524 1.00 0.22 H new ATOM 456 N VAL A 426 11.140 -8.305 4.305 1.00 0.15 N ATOM 457 CA VAL A 426 11.497 -9.698 4.240 1.00 0.19 C ATOM 458 C VAL A 426 13.021 -9.802 4.245 1.00 0.20 C ATOM 459 O VAL A 426 13.696 -9.019 3.577 1.00 0.20 O ATOM 460 CB VAL A 426 10.974 -10.315 2.938 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.108 -11.827 2.925 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.548 -9.895 2.639 1.00 0.21 C ATOM 0 H VAL A 426 11.216 -7.826 3.408 1.00 0.15 H new ATOM 0 HA VAL A 426 11.064 -10.225 5.090 1.00 0.19 H new ATOM 0 HB VAL A 426 11.606 -9.923 2.141 1.00 0.20 H new ATOM 0 HG11 VAL A 426 10.724 -12.218 1.983 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.158 -12.100 3.031 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.538 -12.250 3.752 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.221 -10.357 1.707 1.00 0.21 H new ATOM 0 HG22 VAL A 426 8.896 -10.216 3.452 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.501 -8.810 2.543 1.00 0.21 H new ATOM 472 N GLY A 427 13.561 -10.738 4.999 1.00 0.26 N ATOM 473 CA GLY A 427 15.013 -10.884 5.067 1.00 0.29 C ATOM 474 C GLY A 427 15.575 -10.237 6.312 1.00 0.32 C ATOM 475 O GLY A 427 16.485 -10.768 6.947 1.00 0.38 O ATOM 0 H GLY A 427 13.033 -11.401 5.566 1.00 0.26 H new ATOM 0 HA2 GLY A 427 15.275 -11.942 5.055 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.467 -10.434 4.184 1.00 0.29 H new ATOM 479 N THR A 428 15.020 -9.093 6.662 1.00 0.31 N ATOM 480 CA THR A 428 15.399 -8.393 7.871 1.00 0.37 C ATOM 481 C THR A 428 14.392 -8.624 8.973 1.00 0.41 C ATOM 482 O THR A 428 13.325 -9.198 8.756 1.00 0.41 O ATOM 483 CB THR A 428 15.475 -6.889 7.644 1.00 0.37 C ATOM 484 OG1 THR A 428 14.419 -6.474 6.768 1.00 0.30 O ATOM 485 CG2 THR A 428 16.824 -6.480 7.075 1.00 0.42 C ATOM 0 H THR A 428 14.296 -8.625 6.117 1.00 0.31 H new ATOM 0 HA THR A 428 16.376 -8.784 8.154 1.00 0.37 H new ATOM 0 HB THR A 428 15.359 -6.394 8.608 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.472 -5.506 6.627 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.844 -5.400 6.925 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.614 -6.764 7.771 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.983 -6.982 6.120 1.00 0.42 H new ATOM 493 N ASP A 429 14.739 -8.162 10.158 1.00 0.48 N ATOM 494 CA ASP A 429 13.814 -8.170 11.269 1.00 0.54 C ATOM 495 C ASP A 429 13.196 -6.792 11.441 1.00 0.49 C ATOM 496 O ASP A 429 12.695 -6.441 12.507 1.00 0.59 O ATOM 497 CB ASP A 429 14.517 -8.597 12.550 1.00 0.69 C ATOM 498 CG ASP A 429 13.553 -8.978 13.659 1.00 1.09 C ATOM 499 OD1 ASP A 429 12.840 -9.994 13.514 1.00 1.06 O ATOM 500 OD2 ASP A 429 13.509 -8.269 14.686 1.00 1.78 O ATOM 0 H ASP A 429 15.658 -7.776 10.374 1.00 0.48 H new ATOM 0 HA ASP A 429 13.023 -8.889 11.057 1.00 0.54 H new ATOM 0 HB2 ASP A 429 15.168 -9.445 12.335 1.00 0.69 H new ATOM 0 HB3 ASP A 429 15.156 -7.784 12.895 1.00 0.69 H new ATOM 505 N GLU A 430 13.242 -6.010 10.374 1.00 0.40 N ATOM 506 CA GLU A 430 12.710 -4.665 10.388 1.00 0.38 C ATOM 507 C GLU A 430 11.211 -4.652 10.427 1.00 0.31 C ATOM 508 O GLU A 430 10.541 -5.663 10.188 1.00 0.33 O ATOM 509 CB GLU A 430 13.206 -3.882 9.183 1.00 0.38 C ATOM 510 CG GLU A 430 14.642 -3.431 9.302 1.00 0.48 C ATOM 511 CD GLU A 430 14.882 -2.531 10.497 1.00 1.58 C ATOM 512 OE1 GLU A 430 15.160 -3.052 11.594 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.794 -1.295 10.349 1.00 1.64 O ATOM 0 H GLU A 430 13.647 -6.291 9.481 1.00 0.40 H new ATOM 0 HA GLU A 430 13.069 -4.188 11.300 1.00 0.38 H new ATOM 0 HB2 GLU A 430 13.101 -4.500 8.291 1.00 0.38 H new ATOM 0 HB3 GLU A 430 12.570 -3.008 9.042 1.00 0.38 H new ATOM 0 HG2 GLU A 430 15.287 -4.306 9.378 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.928 -2.902 8.393 1.00 0.48 H new ATOM 520 N GLU A 431 10.701 -3.483 10.724 1.00 0.29 N ATOM 521 CA GLU A 431 9.315 -3.304 10.963 1.00 0.26 C ATOM 522 C GLU A 431 8.636 -2.782 9.703 1.00 0.24 C ATOM 523 O GLU A 431 9.262 -2.136 8.860 1.00 0.26 O ATOM 524 CB GLU A 431 9.122 -2.348 12.136 1.00 0.29 C ATOM 525 CG GLU A 431 9.187 -0.898 11.734 1.00 0.63 C ATOM 526 CD GLU A 431 10.584 -0.318 11.815 1.00 0.87 C ATOM 527 OE1 GLU A 431 11.511 -0.903 11.218 1.00 1.11 O ATOM 528 OE2 GLU A 431 10.768 0.734 12.461 1.00 1.05 O ATOM 0 H GLU A 431 11.253 -2.629 10.804 1.00 0.29 H new ATOM 0 HA GLU A 431 8.856 -4.259 11.220 1.00 0.26 H new ATOM 0 HB2 GLU A 431 8.158 -2.546 12.603 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.887 -2.545 12.887 1.00 0.29 H new ATOM 0 HG2 GLU A 431 8.816 -0.793 10.715 1.00 0.63 H new ATOM 0 HG3 GLU A 431 8.523 -0.320 12.376 1.00 0.63 H new ATOM 535 N PRO A 432 7.356 -3.082 9.567 1.00 0.23 N ATOM 536 CA PRO A 432 6.555 -2.689 8.421 1.00 0.21 C ATOM 537 C PRO A 432 6.222 -1.207 8.436 1.00 0.20 C ATOM 538 O PRO A 432 5.862 -0.637 9.469 1.00 0.24 O ATOM 539 CB PRO A 432 5.294 -3.542 8.559 1.00 0.24 C ATOM 540 CG PRO A 432 5.193 -3.853 10.013 1.00 0.23 C ATOM 541 CD PRO A 432 6.595 -3.831 10.556 1.00 0.24 C ATOM 0 HA PRO A 432 7.078 -2.845 7.477 1.00 0.21 H new ATOM 0 HB2 PRO A 432 4.413 -3.003 8.209 1.00 0.24 H new ATOM 0 HB3 PRO A 432 5.367 -4.453 7.965 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.568 -3.120 10.523 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.732 -4.828 10.169 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.635 -3.351 11.534 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.989 -4.840 10.680 1.00 0.24 H new ATOM 549 N LEU A 433 6.338 -0.608 7.271 1.00 0.20 N ATOM 550 CA LEU A 433 6.109 0.801 7.080 1.00 0.20 C ATOM 551 C LEU A 433 4.665 0.992 6.719 1.00 0.20 C ATOM 552 O LEU A 433 4.086 0.149 6.035 1.00 0.30 O ATOM 553 CB LEU A 433 6.980 1.328 5.938 1.00 0.22 C ATOM 554 CG LEU A 433 8.458 1.516 6.273 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.161 0.185 6.443 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.147 2.363 5.215 1.00 0.73 C ATOM 0 H LEU A 433 6.599 -1.099 6.416 1.00 0.20 H new ATOM 0 HA LEU A 433 6.359 1.342 7.993 1.00 0.20 H new ATOM 0 HB2 LEU A 433 6.901 0.640 5.096 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.576 2.285 5.607 1.00 0.22 H new ATOM 0 HG LEU A 433 8.518 2.043 7.225 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.211 0.356 6.681 1.00 0.65 H new ATOM 0 HD12 LEU A 433 8.692 -0.373 7.253 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.087 -0.386 5.518 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.199 2.484 5.474 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.066 1.871 4.246 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.671 3.342 5.166 1.00 0.73 H new ATOM 568 N GLN A 434 4.077 2.065 7.175 1.00 0.17 N ATOM 569 CA GLN A 434 2.710 2.327 6.835 1.00 0.17 C ATOM 570 C GLN A 434 2.535 3.719 6.305 1.00 0.20 C ATOM 571 O GLN A 434 2.892 4.713 6.939 1.00 0.27 O ATOM 572 CB GLN A 434 1.806 2.067 8.013 1.00 0.18 C ATOM 573 CG GLN A 434 1.550 0.596 8.204 1.00 0.21 C ATOM 574 CD GLN A 434 0.623 0.313 9.389 1.00 0.38 C ATOM 575 OE1 GLN A 434 0.565 1.103 10.331 1.00 1.26 O ATOM 576 NE2 GLN A 434 -0.091 -0.813 9.391 1.00 0.74 N ATOM 0 H GLN A 434 4.518 2.762 7.775 1.00 0.17 H new ATOM 0 HA GLN A 434 2.425 1.641 6.038 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.257 2.478 8.916 1.00 0.18 H new ATOM 0 HB3 GLN A 434 0.858 2.585 7.866 1.00 0.18 H new ATOM 0 HG2 GLN A 434 1.109 0.186 7.295 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.499 0.082 8.358 1.00 0.21 H new ATOM 0 HE21 GLN A 434 -0.031 -1.456 8.602 1.00 0.74 H new ATOM 0 HE22 GLN A 434 -0.697 -1.031 10.182 1.00 0.74 H new ATOM 585 N PHE A 435 1.997 3.759 5.123 1.00 0.20 N ATOM 586 CA PHE A 435 1.766 5.010 4.425 1.00 0.23 C ATOM 587 C PHE A 435 0.279 5.281 4.290 1.00 0.21 C ATOM 588 O PHE A 435 -0.497 4.395 3.941 1.00 0.24 O ATOM 589 CB PHE A 435 2.448 5.004 3.051 1.00 0.25 C ATOM 590 CG PHE A 435 3.947 5.086 3.121 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.712 3.942 3.282 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.591 6.309 3.026 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.090 4.015 3.346 1.00 0.43 C ATOM 594 CE2 PHE A 435 5.970 6.389 3.089 1.00 0.46 C ATOM 595 CZ PHE A 435 6.720 5.240 3.250 1.00 0.47 C ATOM 0 H PHE A 435 1.702 2.931 4.606 1.00 0.20 H new ATOM 0 HA PHE A 435 2.206 5.814 5.014 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.167 4.095 2.520 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.074 5.844 2.466 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.225 2.981 3.358 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.009 7.210 2.901 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.674 3.115 3.471 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.460 7.348 3.012 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.797 5.300 3.301 1.00 0.47 H new ATOM 605 N ARG A 436 -0.102 6.510 4.590 1.00 0.22 N ATOM 606 CA ARG A 436 -1.495 6.927 4.532 1.00 0.21 C ATOM 607 C ARG A 436 -1.712 7.892 3.373 1.00 0.19 C ATOM 608 O ARG A 436 -1.197 9.009 3.391 1.00 0.27 O ATOM 609 CB ARG A 436 -1.907 7.621 5.828 1.00 0.27 C ATOM 610 CG ARG A 436 -2.016 6.697 7.023 1.00 0.72 C ATOM 611 CD ARG A 436 -2.430 7.452 8.274 1.00 0.74 C ATOM 612 NE ARG A 436 -1.483 8.509 8.624 1.00 1.52 N ATOM 613 CZ ARG A 436 -1.605 9.298 9.691 1.00 2.15 C ATOM 614 NH1 ARG A 436 -2.635 9.153 10.516 1.00 2.32 N ATOM 615 NH2 ARG A 436 -0.695 10.233 9.930 1.00 3.14 N ATOM 0 H ARG A 436 0.542 7.246 4.880 1.00 0.22 H new ATOM 0 HA ARG A 436 -2.103 6.033 4.389 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -1.182 8.403 6.054 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.868 8.111 5.674 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -2.743 5.913 6.813 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -1.058 6.206 7.193 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -3.417 7.888 8.122 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -2.514 6.753 9.106 1.00 0.74 H new ATOM 0 HE ARG A 436 -0.679 8.652 8.013 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -3.337 8.436 10.334 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -2.724 9.759 11.332 1.00 2.32 H new ATOM 0 HH21 ARG A 436 0.097 10.347 9.297 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -0.787 10.838 10.746 1.00 3.14 H new ATOM 629 N VAL A 437 -2.459 7.469 2.370 1.00 0.17 N ATOM 630 CA VAL A 437 -2.817 8.351 1.278 1.00 0.16 C ATOM 631 C VAL A 437 -4.321 8.514 1.210 1.00 0.16 C ATOM 632 O VAL A 437 -5.081 7.665 1.690 1.00 0.17 O ATOM 633 CB VAL A 437 -2.280 7.871 -0.091 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.773 7.689 -0.038 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.967 6.594 -0.549 1.00 0.14 C ATOM 0 H VAL A 437 -2.828 6.522 2.290 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.345 9.311 1.486 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.510 8.642 -0.826 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.413 7.351 -1.010 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.300 8.638 0.214 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.523 6.947 0.720 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.562 6.289 -1.514 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.794 5.805 0.183 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -4.038 6.771 -0.644 1.00 0.14 H new ATOM 645 N PRO A 438 -4.738 9.637 0.640 1.00 0.17 N ATOM 646 CA PRO A 438 -6.145 10.024 0.514 1.00 0.18 C ATOM 647 C PRO A 438 -6.993 8.906 -0.103 1.00 0.16 C ATOM 648 O PRO A 438 -6.549 8.208 -1.015 1.00 0.14 O ATOM 649 CB PRO A 438 -6.067 11.248 -0.428 1.00 0.19 C ATOM 650 CG PRO A 438 -4.721 11.817 -0.148 1.00 0.21 C ATOM 651 CD PRO A 438 -3.833 10.646 0.081 1.00 0.19 C ATOM 0 HA PRO A 438 -6.619 10.233 1.473 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -6.170 10.957 -1.473 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.858 11.967 -0.218 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.368 12.419 -0.985 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.744 12.468 0.726 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.373 10.303 -0.846 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -3.023 10.885 0.770 1.00 0.19 H new ATOM 659 N GLY A 439 -8.213 8.756 0.395 1.00 0.19 N ATOM 660 CA GLY A 439 -9.062 7.648 0.021 1.00 0.20 C ATOM 661 C GLY A 439 -9.550 7.681 -1.414 1.00 0.18 C ATOM 662 O GLY A 439 -10.211 6.743 -1.862 1.00 0.20 O ATOM 0 H GLY A 439 -8.634 9.399 1.066 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.516 6.719 0.184 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.927 7.630 0.684 1.00 0.20 H new ATOM 666 N THR A 440 -9.288 8.755 -2.131 1.00 0.16 N ATOM 667 CA THR A 440 -9.667 8.805 -3.527 1.00 0.18 C ATOM 668 C THR A 440 -8.466 8.498 -4.441 1.00 0.16 C ATOM 669 O THR A 440 -8.640 8.127 -5.605 1.00 0.19 O ATOM 670 CB THR A 440 -10.256 10.180 -3.884 1.00 0.24 C ATOM 671 OG1 THR A 440 -9.397 11.222 -3.395 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.648 10.346 -3.292 1.00 0.29 C ATOM 0 H THR A 440 -8.822 9.591 -1.778 1.00 0.16 H new ATOM 0 HA THR A 440 -10.428 8.042 -3.688 1.00 0.18 H new ATOM 0 HB THR A 440 -10.331 10.247 -4.969 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.777 12.095 -3.627 1.00 0.27 H new ATOM 0 HG21 THR A 440 -12.042 11.326 -3.559 1.00 0.29 H new ATOM 0 HG22 THR A 440 -12.306 9.571 -3.686 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.595 10.260 -2.207 1.00 0.29 H new ATOM 680 N SER A 441 -7.253 8.656 -3.899 1.00 0.13 N ATOM 681 CA SER A 441 -6.013 8.368 -4.616 1.00 0.12 C ATOM 682 C SER A 441 -5.883 6.886 -4.959 1.00 0.11 C ATOM 683 O SER A 441 -6.342 6.027 -4.213 1.00 0.12 O ATOM 684 CB SER A 441 -4.835 8.792 -3.743 1.00 0.13 C ATOM 685 OG SER A 441 -4.883 10.181 -3.459 1.00 0.16 O ATOM 0 H SER A 441 -7.107 8.989 -2.946 1.00 0.13 H new ATOM 0 HA SER A 441 -6.022 8.923 -5.554 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.847 8.227 -2.811 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.899 8.553 -4.249 1.00 0.13 H new ATOM 0 HG SER A 441 -4.119 10.427 -2.897 1.00 0.16 H new ATOM 691 N THR A 442 -5.255 6.580 -6.084 1.00 0.10 N ATOM 692 CA THR A 442 -5.074 5.196 -6.483 1.00 0.12 C ATOM 693 C THR A 442 -3.605 4.878 -6.759 1.00 0.13 C ATOM 694 O THR A 442 -3.285 3.839 -7.332 1.00 0.16 O ATOM 695 CB THR A 442 -5.925 4.845 -7.717 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.655 5.769 -8.777 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.408 4.875 -7.376 1.00 0.17 C ATOM 0 H THR A 442 -4.866 7.266 -6.731 1.00 0.10 H new ATOM 0 HA THR A 442 -5.410 4.584 -5.646 1.00 0.12 H new ATOM 0 HB THR A 442 -5.662 3.837 -8.039 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.199 5.538 -9.559 1.00 0.14 H new ATOM 0 HG21 THR A 442 -7.990 4.624 -8.263 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.615 4.150 -6.589 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.682 5.872 -7.032 1.00 0.17 H new ATOM 705 N SER A 443 -2.707 5.771 -6.355 1.00 0.12 N ATOM 706 CA SER A 443 -1.277 5.571 -6.581 1.00 0.15 C ATOM 707 C SER A 443 -0.465 6.402 -5.596 1.00 0.15 C ATOM 708 O SER A 443 -0.869 7.507 -5.230 1.00 0.19 O ATOM 709 CB SER A 443 -0.892 5.943 -8.019 1.00 0.17 C ATOM 710 OG SER A 443 -1.818 5.416 -8.960 1.00 1.08 O ATOM 0 H SER A 443 -2.941 6.638 -5.871 1.00 0.12 H new ATOM 0 HA SER A 443 -1.055 4.515 -6.426 1.00 0.15 H new ATOM 0 HB2 SER A 443 -0.851 7.028 -8.116 1.00 0.17 H new ATOM 0 HB3 SER A 443 0.106 5.565 -8.239 1.00 0.17 H new ATOM 0 HG SER A 443 -2.167 4.561 -8.632 1.00 1.08 H new ATOM 716 N ALA A 444 0.662 5.864 -5.156 1.00 0.14 N ATOM 717 CA ALA A 444 1.532 6.565 -4.217 1.00 0.15 C ATOM 718 C ALA A 444 2.975 6.209 -4.406 1.00 0.16 C ATOM 719 O ALA A 444 3.342 5.047 -4.578 1.00 0.15 O ATOM 720 CB ALA A 444 1.123 6.284 -2.786 1.00 0.16 C ATOM 0 H ALA A 444 0.998 4.942 -5.433 1.00 0.14 H new ATOM 0 HA ALA A 444 1.418 7.629 -4.423 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.787 6.818 -2.106 1.00 0.16 H new ATOM 0 HB2 ALA A 444 0.097 6.618 -2.628 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.190 5.213 -2.592 1.00 0.16 H new ATOM 726 N THR A 445 3.780 7.240 -4.381 1.00 0.24 N ATOM 727 CA THR A 445 5.202 7.103 -4.414 1.00 0.25 C ATOM 728 C THR A 445 5.757 6.953 -3.016 1.00 0.26 C ATOM 729 O THR A 445 5.765 7.889 -2.212 1.00 0.33 O ATOM 730 CB THR A 445 5.814 8.307 -5.112 1.00 0.31 C ATOM 731 OG1 THR A 445 5.430 8.304 -6.495 1.00 0.34 O ATOM 732 CG2 THR A 445 7.334 8.309 -4.983 1.00 0.34 C ATOM 0 H THR A 445 3.457 8.206 -4.337 1.00 0.24 H new ATOM 0 HA THR A 445 5.459 6.203 -4.972 1.00 0.25 H new ATOM 0 HB THR A 445 5.441 9.212 -4.633 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.823 9.081 -6.945 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.741 9.182 -5.492 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.610 8.342 -3.929 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.739 7.404 -5.435 1.00 0.34 H new ATOM 740 N LEU A 446 6.202 5.754 -2.742 1.00 0.22 N ATOM 741 CA LEU A 446 6.656 5.394 -1.413 1.00 0.25 C ATOM 742 C LEU A 446 8.149 5.636 -1.216 1.00 0.24 C ATOM 743 O LEU A 446 8.981 4.792 -1.542 1.00 0.23 O ATOM 744 CB LEU A 446 6.279 3.924 -1.101 1.00 0.25 C ATOM 745 CG LEU A 446 4.944 3.707 -0.341 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.812 4.467 -1.012 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.605 2.221 -0.279 1.00 0.59 C ATOM 0 H LEU A 446 6.262 5.000 -3.426 1.00 0.22 H new ATOM 0 HA LEU A 446 6.146 6.048 -0.706 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.231 3.375 -2.042 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.084 3.481 -0.514 1.00 0.25 H new ATOM 0 HG LEU A 446 5.065 4.087 0.673 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.886 4.300 -0.462 1.00 0.65 H new ATOM 0 HD12 LEU A 446 4.043 5.532 -1.019 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.694 4.114 -2.037 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.666 2.084 0.257 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.506 1.828 -1.291 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.401 1.688 0.241 1.00 0.59 H new ATOM 759 N THR A 447 8.466 6.807 -0.670 1.00 0.30 N ATOM 760 CA THR A 447 9.832 7.159 -0.294 1.00 0.30 C ATOM 761 C THR A 447 10.207 6.534 1.041 1.00 0.29 C ATOM 762 O THR A 447 9.455 6.627 2.012 1.00 0.36 O ATOM 763 CB THR A 447 9.982 8.689 -0.147 1.00 0.39 C ATOM 764 OG1 THR A 447 8.783 9.238 0.414 1.00 0.86 O ATOM 765 CG2 THR A 447 10.284 9.360 -1.469 1.00 0.60 C ATOM 0 H THR A 447 7.783 7.539 -0.476 1.00 0.30 H new ATOM 0 HA THR A 447 10.485 6.785 -1.083 1.00 0.30 H new ATOM 0 HB THR A 447 10.826 8.878 0.517 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.880 10.209 0.508 1.00 0.86 H new ATOM 0 HG21 THR A 447 10.381 10.435 -1.318 1.00 0.60 H new ATOM 0 HG22 THR A 447 11.216 8.965 -1.873 1.00 0.60 H new ATOM 0 HG23 THR A 447 9.473 9.164 -2.170 1.00 0.60 H new ATOM 773 N GLY A 448 11.357 5.890 1.086 1.00 0.30 N ATOM 774 CA GLY A 448 11.891 5.448 2.359 1.00 0.38 C ATOM 775 C GLY A 448 12.279 3.987 2.379 1.00 0.30 C ATOM 776 O GLY A 448 13.034 3.557 3.249 1.00 0.38 O ATOM 0 H GLY A 448 11.930 5.664 0.273 1.00 0.30 H new ATOM 0 HA2 GLY A 448 12.765 6.051 2.606 1.00 0.38 H new ATOM 0 HA3 GLY A 448 11.149 5.629 3.137 1.00 0.38 H new ATOM 780 N LEU A 449 11.760 3.219 1.434 1.00 0.28 N ATOM 781 CA LEU A 449 12.089 1.814 1.341 1.00 0.25 C ATOM 782 C LEU A 449 13.579 1.596 1.107 1.00 0.25 C ATOM 783 O LEU A 449 14.165 2.115 0.153 1.00 0.34 O ATOM 784 CB LEU A 449 11.267 1.149 0.242 1.00 0.24 C ATOM 785 CG LEU A 449 9.772 1.054 0.533 1.00 0.21 C ATOM 786 CD1 LEU A 449 9.042 0.421 -0.637 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.534 0.246 1.794 1.00 0.23 C ATOM 0 H LEU A 449 11.109 3.550 0.722 1.00 0.28 H new ATOM 0 HA LEU A 449 11.840 1.351 2.296 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.408 1.704 -0.685 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.655 0.144 0.074 1.00 0.24 H new ATOM 0 HG LEU A 449 9.384 2.062 0.681 1.00 0.21 H new ATOM 0 HD11 LEU A 449 7.977 0.361 -0.412 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.191 1.028 -1.530 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.433 -0.582 -0.810 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.464 0.186 1.991 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.936 -0.759 1.664 1.00 0.23 H new ATOM 0 HD23 LEU A 449 10.031 0.730 2.635 1.00 0.23 H new ATOM 799 N THR A 450 14.178 0.860 2.026 1.00 0.22 N ATOM 800 CA THR A 450 15.568 0.462 1.937 1.00 0.23 C ATOM 801 C THR A 450 15.772 -0.444 0.740 1.00 0.22 C ATOM 802 O THR A 450 14.912 -1.255 0.398 1.00 0.38 O ATOM 803 CB THR A 450 15.976 -0.284 3.224 1.00 0.27 C ATOM 804 OG1 THR A 450 15.253 0.264 4.335 1.00 0.32 O ATOM 805 CG2 THR A 450 17.471 -0.184 3.493 1.00 0.34 C ATOM 0 H THR A 450 13.706 0.519 2.864 1.00 0.22 H new ATOM 0 HA THR A 450 16.186 1.352 1.820 1.00 0.23 H new ATOM 0 HB THR A 450 15.734 -1.339 3.092 1.00 0.27 H new ATOM 0 HG1 THR A 450 14.465 -0.290 4.518 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.713 -0.724 4.409 1.00 0.34 H new ATOM 0 HG22 THR A 450 18.021 -0.620 2.659 1.00 0.34 H new ATOM 0 HG23 THR A 450 17.751 0.863 3.604 1.00 0.34 H new ATOM 813 N ARG A 451 16.930 -0.323 0.143 1.00 0.29 N ATOM 814 CA ARG A 451 17.185 -0.928 -1.142 1.00 0.26 C ATOM 815 C ARG A 451 18.082 -2.128 -1.018 1.00 0.26 C ATOM 816 O ARG A 451 19.082 -2.130 -0.296 1.00 0.30 O ATOM 817 CB ARG A 451 17.732 0.101 -2.119 1.00 0.31 C ATOM 818 CG ARG A 451 18.906 0.860 -1.568 1.00 0.32 C ATOM 819 CD ARG A 451 19.334 1.972 -2.487 1.00 0.43 C ATOM 820 NE ARG A 451 19.995 1.480 -3.693 1.00 1.32 N ATOM 821 CZ ARG A 451 21.028 2.086 -4.279 1.00 1.75 C ATOM 822 NH1 ARG A 451 21.542 3.192 -3.750 1.00 1.39 N ATOM 823 NH2 ARG A 451 21.551 1.579 -5.388 1.00 2.70 N ATOM 0 H ARG A 451 17.719 0.194 0.530 1.00 0.29 H new ATOM 0 HA ARG A 451 16.238 -1.289 -1.543 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.029 -0.401 -3.040 1.00 0.31 H new ATOM 0 HB3 ARG A 451 16.941 0.804 -2.380 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.646 1.274 -0.593 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.740 0.176 -1.412 1.00 0.32 H new ATOM 0 HD2 ARG A 451 18.462 2.561 -2.770 1.00 0.43 H new ATOM 0 HD3 ARG A 451 20.010 2.640 -1.953 1.00 0.43 H new ATOM 0 HE ARG A 451 19.644 0.619 -4.113 1.00 1.32 H new ATOM 0 HH11 ARG A 451 21.146 3.579 -2.893 1.00 1.39 H new ATOM 0 HH12 ARG A 451 22.332 3.653 -4.201 1.00 1.39 H new ATOM 0 HH21 ARG A 451 21.163 0.726 -5.791 1.00 2.70 H new ATOM 0 HH22 ARG A 451 22.341 2.042 -5.837 1.00 2.70 H new ATOM 837 N GLY A 452 17.672 -3.155 -1.718 1.00 0.28 N ATOM 838 CA GLY A 452 18.291 -4.439 -1.608 1.00 0.34 C ATOM 839 C GLY A 452 17.500 -5.326 -0.682 1.00 0.32 C ATOM 840 O GLY A 452 17.774 -6.518 -0.539 1.00 0.41 O ATOM 0 H GLY A 452 16.897 -3.118 -2.380 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.361 -4.901 -2.593 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.309 -4.328 -1.234 1.00 0.34 H new ATOM 844 N ALA A 453 16.505 -4.720 -0.060 1.00 0.32 N ATOM 845 CA ALA A 453 15.623 -5.401 0.864 1.00 0.31 C ATOM 846 C ALA A 453 14.284 -5.639 0.227 1.00 0.27 C ATOM 847 O ALA A 453 13.794 -4.851 -0.585 1.00 0.35 O ATOM 848 CB ALA A 453 15.481 -4.588 2.144 1.00 0.32 C ATOM 0 H ALA A 453 16.286 -3.732 -0.185 1.00 0.32 H new ATOM 0 HA ALA A 453 16.053 -6.370 1.118 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.816 -5.108 2.833 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.460 -4.465 2.608 1.00 0.32 H new ATOM 0 HB3 ALA A 453 15.066 -3.608 1.908 1.00 0.32 H new ATOM 854 N THR A 454 13.730 -6.760 0.587 1.00 0.23 N ATOM 855 CA THR A 454 12.459 -7.195 0.098 1.00 0.21 C ATOM 856 C THR A 454 11.347 -6.704 1.015 1.00 0.17 C ATOM 857 O THR A 454 11.491 -6.721 2.234 1.00 0.19 O ATOM 858 CB THR A 454 12.473 -8.718 0.054 1.00 0.22 C ATOM 859 OG1 THR A 454 13.427 -9.180 -0.901 1.00 0.29 O ATOM 860 CG2 THR A 454 11.108 -9.284 -0.301 1.00 0.24 C ATOM 0 H THR A 454 14.161 -7.410 1.244 1.00 0.23 H new ATOM 0 HA THR A 454 12.276 -6.790 -0.897 1.00 0.21 H new ATOM 0 HB THR A 454 12.745 -9.064 1.051 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.143 -8.915 -1.801 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.160 -10.373 -0.322 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.379 -8.970 0.445 1.00 0.24 H new ATOM 0 HG23 THR A 454 10.805 -8.916 -1.281 1.00 0.24 H new ATOM 868 N TYR A 455 10.259 -6.243 0.432 1.00 0.16 N ATOM 869 CA TYR A 455 9.140 -5.740 1.204 1.00 0.16 C ATOM 870 C TYR A 455 7.818 -6.277 0.669 1.00 0.13 C ATOM 871 O TYR A 455 7.518 -6.143 -0.516 1.00 0.15 O ATOM 872 CB TYR A 455 9.128 -4.211 1.177 1.00 0.23 C ATOM 873 CG TYR A 455 10.156 -3.555 2.078 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.854 -3.215 3.391 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.436 -3.287 1.612 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.798 -2.626 4.213 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.384 -2.697 2.424 1.00 0.30 C ATOM 878 CZ TYR A 455 12.021 -2.333 3.743 1.00 0.26 C ATOM 879 OH TYR A 455 13.006 -1.778 4.537 1.00 0.29 O ATOM 0 H TYR A 455 10.125 -6.206 -0.579 1.00 0.16 H new ATOM 0 HA TYR A 455 9.258 -6.083 2.232 1.00 0.16 H new ATOM 0 HB2 TYR A 455 9.296 -3.878 0.153 1.00 0.23 H new ATOM 0 HB3 TYR A 455 8.136 -3.863 1.466 1.00 0.23 H new ATOM 0 HD1 TYR A 455 8.865 -3.414 3.777 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.695 -3.545 0.596 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.550 -2.400 5.240 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.384 -2.516 2.059 1.00 0.30 H new ATOM 0 HH TYR A 455 13.834 -2.293 4.439 1.00 0.29 H new ATOM 889 N ASN A 456 7.043 -6.902 1.543 1.00 0.12 N ATOM 890 CA ASN A 456 5.695 -7.329 1.194 1.00 0.12 C ATOM 891 C ASN A 456 4.755 -6.164 1.384 1.00 0.13 C ATOM 892 O ASN A 456 4.404 -5.795 2.511 1.00 0.15 O ATOM 893 CB ASN A 456 5.242 -8.529 2.040 1.00 0.14 C ATOM 894 CG ASN A 456 3.978 -9.191 1.476 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.689 -9.063 0.287 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.229 -9.934 2.301 1.00 0.20 N ATOM 0 H ASN A 456 7.323 -7.125 2.498 1.00 0.12 H new ATOM 0 HA ASN A 456 5.686 -7.652 0.153 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.046 -9.264 2.085 1.00 0.14 H new ATOM 0 HB3 ASN A 456 5.053 -8.200 3.062 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.398 -10.409 1.947 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.489 -10.025 3.283 1.00 0.20 H new ATOM 903 N ILE A 457 4.387 -5.575 0.272 1.00 0.13 N ATOM 904 CA ILE A 457 3.575 -4.387 0.256 1.00 0.14 C ATOM 905 C ILE A 457 2.101 -4.748 0.188 1.00 0.14 C ATOM 906 O ILE A 457 1.654 -5.456 -0.713 1.00 0.18 O ATOM 907 CB ILE A 457 3.968 -3.487 -0.927 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.376 -2.926 -0.707 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.962 -2.352 -1.110 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.899 -2.099 -1.861 1.00 0.22 C ATOM 0 H ILE A 457 4.646 -5.912 -0.655 1.00 0.13 H new ATOM 0 HA ILE A 457 3.748 -3.837 1.181 1.00 0.14 H new ATOM 0 HB ILE A 457 3.962 -4.088 -1.837 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.374 -2.313 0.194 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.062 -3.754 -0.528 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.264 -1.731 -1.953 1.00 0.18 H new ATOM 0 HG22 ILE A 457 1.974 -2.769 -1.302 1.00 0.18 H new ATOM 0 HG23 ILE A 457 2.930 -1.745 -0.205 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.901 -1.739 -1.626 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.936 -2.713 -2.761 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.238 -1.249 -2.028 1.00 0.22 H new ATOM 922 N ILE A 458 1.362 -4.263 1.160 1.00 0.16 N ATOM 923 CA ILE A 458 -0.047 -4.562 1.284 1.00 0.18 C ATOM 924 C ILE A 458 -0.850 -3.274 1.393 1.00 0.20 C ATOM 925 O ILE A 458 -0.608 -2.456 2.271 1.00 0.29 O ATOM 926 CB ILE A 458 -0.303 -5.468 2.505 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.030 -6.920 2.159 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.730 -5.343 2.992 1.00 0.29 C ATOM 929 CD1 ILE A 458 -0.171 -7.880 3.309 1.00 0.27 C ATOM 0 H ILE A 458 1.722 -3.648 1.889 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.370 -5.097 0.391 1.00 0.18 H new ATOM 0 HB ILE A 458 0.349 -5.143 3.316 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.591 -7.236 1.321 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.067 -6.977 1.827 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -1.879 -5.994 3.854 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -1.927 -4.310 3.279 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.413 -5.635 2.195 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.085 -8.890 2.989 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.470 -7.590 4.141 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -1.213 -7.853 3.627 1.00 0.27 H new ATOM 941 N VAL A 459 -1.800 -3.095 0.495 1.00 0.17 N ATOM 942 CA VAL A 459 -2.587 -1.878 0.458 1.00 0.18 C ATOM 943 C VAL A 459 -3.987 -2.167 0.961 1.00 0.18 C ATOM 944 O VAL A 459 -4.673 -3.040 0.427 1.00 0.23 O ATOM 945 CB VAL A 459 -2.666 -1.295 -0.966 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.306 0.083 -0.953 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.290 -1.250 -1.620 1.00 0.20 C ATOM 0 H VAL A 459 -2.046 -3.779 -0.220 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.099 -1.142 1.098 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.296 -1.955 -1.562 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.350 0.473 -1.970 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.315 0.012 -0.547 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.712 0.754 -0.332 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.378 -0.834 -2.624 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.625 -0.625 -1.025 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -0.882 -2.259 -1.680 1.00 0.20 H new ATOM 957 N GLU A 460 -4.400 -1.456 1.993 1.00 0.18 N ATOM 958 CA GLU A 460 -5.711 -1.668 2.580 1.00 0.22 C ATOM 959 C GLU A 460 -6.555 -0.407 2.529 1.00 0.21 C ATOM 960 O GLU A 460 -6.060 0.702 2.724 1.00 0.30 O ATOM 961 CB GLU A 460 -5.593 -2.144 4.022 1.00 0.30 C ATOM 962 CG GLU A 460 -5.119 -3.577 4.158 1.00 0.36 C ATOM 963 CD GLU A 460 -4.944 -3.985 5.601 1.00 0.60 C ATOM 964 OE1 GLU A 460 -3.841 -3.789 6.150 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.908 -4.511 6.191 1.00 0.82 O ATOM 0 H GLU A 460 -3.847 -0.726 2.443 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.204 -2.440 1.989 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.902 -1.491 4.555 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.564 -2.045 4.508 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.837 -4.242 3.679 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -4.172 -3.696 3.631 1.00 0.36 H new ATOM 972 N ALA A 461 -7.832 -0.599 2.271 1.00 0.16 N ATOM 973 CA ALA A 461 -8.778 0.493 2.195 1.00 0.15 C ATOM 974 C ALA A 461 -9.491 0.693 3.503 1.00 0.14 C ATOM 975 O ALA A 461 -10.254 -0.161 3.955 1.00 0.17 O ATOM 976 CB ALA A 461 -9.777 0.243 1.078 1.00 0.16 C ATOM 0 H ALA A 461 -8.243 -1.518 2.108 1.00 0.16 H new ATOM 0 HA ALA A 461 -8.223 1.406 1.977 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.484 1.071 1.030 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -9.248 0.162 0.128 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.317 -0.684 1.273 1.00 0.16 H new ATOM 982 N LEU A 462 -9.211 1.828 4.103 1.00 0.16 N ATOM 983 CA LEU A 462 -9.897 2.262 5.288 1.00 0.20 C ATOM 984 C LEU A 462 -11.235 2.832 4.873 1.00 0.22 C ATOM 985 O LEU A 462 -11.327 3.954 4.383 1.00 0.24 O ATOM 986 CB LEU A 462 -9.069 3.302 6.015 1.00 0.25 C ATOM 987 CG LEU A 462 -9.128 3.207 7.545 1.00 0.34 C ATOM 988 CD1 LEU A 462 -8.269 4.258 8.201 1.00 0.85 C ATOM 989 CD2 LEU A 462 -10.551 3.320 8.047 1.00 0.78 C ATOM 0 H LEU A 462 -8.495 2.477 3.776 1.00 0.16 H new ATOM 0 HA LEU A 462 -10.050 1.425 5.969 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -8.030 3.208 5.698 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.406 4.293 5.712 1.00 0.25 H new ATOM 0 HG LEU A 462 -8.737 2.226 7.816 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -8.337 4.159 9.284 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -7.233 4.128 7.889 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -8.616 5.248 7.905 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -10.560 3.249 9.135 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -10.969 4.279 7.743 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -11.151 2.513 7.626 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.253 2.038 5.045 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.569 2.359 4.550 1.00 0.30 C ATOM 1003 C LYS A 463 -14.597 1.994 5.609 1.00 0.40 C ATOM 1004 O LYS A 463 -14.989 0.829 5.721 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.808 1.586 3.248 1.00 0.31 C ATOM 1006 CG LYS A 463 -15.125 1.901 2.551 1.00 0.38 C ATOM 1007 CD LYS A 463 -15.156 3.306 1.984 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.556 3.687 1.530 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.033 2.835 0.410 1.00 1.62 N ATOM 0 H LYS A 463 -12.197 1.145 5.534 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.658 3.425 4.340 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -12.989 1.798 2.560 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.774 0.518 3.464 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.288 1.184 1.747 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.946 1.779 3.258 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.811 4.013 2.739 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.467 3.376 1.143 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -17.245 3.600 2.370 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.564 4.732 1.219 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -17.863 3.277 -0.033 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -16.276 2.734 -0.296 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -17.294 1.896 0.774 1.00 1.62 H new ATOM 1023 N ASP A 464 -14.981 2.982 6.421 1.00 0.58 N ATOM 1024 CA ASP A 464 -15.958 2.753 7.515 1.00 0.61 C ATOM 1025 C ASP A 464 -15.373 1.869 8.612 1.00 0.51 C ATOM 1026 O ASP A 464 -15.764 0.711 8.775 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.260 2.118 7.051 1.00 0.72 C ATOM 1028 CG ASP A 464 -18.062 3.006 6.117 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -17.873 2.923 4.884 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -18.890 3.796 6.617 1.00 1.15 O ATOM 0 H ASP A 464 -14.641 3.941 6.352 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.178 3.750 7.897 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.038 1.178 6.546 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -17.869 1.876 7.922 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.465 2.457 9.360 1.00 0.52 N ATOM 1036 CA GLN A 465 -13.675 1.815 10.416 1.00 0.49 C ATOM 1037 C GLN A 465 -13.021 0.473 10.032 1.00 0.44 C ATOM 1038 O GLN A 465 -12.340 -0.135 10.859 1.00 0.66 O ATOM 1039 CB GLN A 465 -14.526 1.650 11.666 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.116 2.963 12.141 1.00 0.67 C ATOM 1041 CD GLN A 465 -15.807 2.852 13.481 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -15.434 2.030 14.319 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -16.810 3.684 13.700 1.00 1.39 N ATOM 0 H GLN A 465 -14.238 3.445 9.251 1.00 0.52 H new ATOM 0 HA GLN A 465 -12.837 2.488 10.599 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.332 0.945 11.463 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -13.918 1.219 12.462 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -14.323 3.708 12.208 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -15.829 3.323 11.400 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -17.087 4.350 12.979 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -17.307 3.660 14.590 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.210 0.013 8.808 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.658 -1.257 8.382 1.00 0.36 C ATOM 1054 C GLN A 466 -11.596 -1.091 7.321 1.00 0.28 C ATOM 1055 O GLN A 466 -11.534 -0.072 6.635 1.00 0.29 O ATOM 1056 CB GLN A 466 -13.772 -2.156 7.871 1.00 0.54 C ATOM 1057 CG GLN A 466 -14.556 -2.795 8.987 1.00 1.20 C ATOM 1058 CD GLN A 466 -15.602 -3.767 8.490 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -16.746 -3.390 8.233 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -15.215 -5.023 8.339 1.00 2.13 N ATOM 0 H GLN A 466 -13.744 0.503 8.090 1.00 0.36 H new ATOM 0 HA GLN A 466 -12.181 -1.716 9.248 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -14.447 -1.572 7.245 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -13.345 -2.935 7.239 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -13.870 -3.317 9.654 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -15.041 -2.016 9.575 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -14.257 -5.292 8.564 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -15.874 -5.722 7.998 1.00 2.13 H new ATOM 1069 N ARG A 467 -10.769 -2.111 7.199 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.678 -2.117 6.241 1.00 0.30 C ATOM 1071 C ARG A 467 -9.750 -3.357 5.361 1.00 0.33 C ATOM 1072 O ARG A 467 -9.674 -4.480 5.852 1.00 0.51 O ATOM 1073 CB ARG A 467 -8.338 -2.078 6.970 1.00 0.36 C ATOM 1074 CG ARG A 467 -8.133 -0.831 7.808 1.00 0.34 C ATOM 1075 CD ARG A 467 -7.019 -1.035 8.814 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.759 0.162 9.613 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.551 0.510 10.066 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.495 -0.249 9.806 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -5.403 1.610 10.788 1.00 2.58 N ATOM 0 H ARG A 467 -10.834 -2.960 7.761 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.768 -1.232 5.610 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -8.260 -2.954 7.614 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.534 -2.148 6.237 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -7.894 0.012 7.160 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -9.058 -0.581 8.328 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -7.279 -1.861 9.477 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -6.108 -1.322 8.289 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.548 0.768 9.838 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.603 -1.103 9.258 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.575 0.021 10.154 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -6.212 2.194 11.000 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -4.480 1.873 11.133 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.919 -3.143 4.068 1.00 0.28 N ATOM 1094 CA HIS A 468 -9.992 -4.245 3.111 1.00 0.32 C ATOM 1095 C HIS A 468 -8.748 -4.232 2.215 1.00 0.24 C ATOM 1096 O HIS A 468 -8.410 -3.177 1.684 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.243 -4.109 2.229 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.542 -4.144 2.978 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -13.250 -5.301 3.199 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -13.270 -3.148 3.536 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -14.358 -5.018 3.857 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -14.397 -3.715 4.076 1.00 1.25 N ATOM 0 H HIS A 468 -10.009 -2.216 3.651 1.00 0.28 H new ATOM 0 HA HIS A 468 -10.044 -5.182 3.665 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -11.182 -3.171 1.677 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -11.241 -4.913 1.493 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -13.011 -2.100 3.553 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -15.108 -5.732 4.165 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -15.140 -3.215 4.564 1.00 1.25 H new ATOM 1111 N LYS A 469 -8.045 -5.366 2.048 1.00 0.27 N ATOM 1112 CA LYS A 469 -6.889 -5.364 1.116 1.00 0.40 C ATOM 1113 C LYS A 469 -7.338 -5.158 -0.298 1.00 0.29 C ATOM 1114 O LYS A 469 -8.297 -5.760 -0.787 1.00 0.37 O ATOM 1115 CB LYS A 469 -5.951 -6.595 1.148 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.420 -6.920 2.513 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.123 -7.722 2.433 1.00 0.70 C ATOM 1118 CE LYS A 469 -4.254 -8.969 1.589 1.00 0.41 C ATOM 1119 NZ LYS A 469 -5.274 -9.915 2.112 1.00 0.84 N ATOM 0 H LYS A 469 -8.236 -6.253 2.514 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.292 -4.532 1.489 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -6.490 -7.461 0.763 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -5.112 -6.418 0.475 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -5.245 -5.997 3.066 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.166 -7.488 3.069 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -3.336 -7.091 2.020 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -3.812 -8.002 3.440 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -4.517 -8.686 0.570 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -3.289 -9.473 1.541 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -5.309 -10.758 1.505 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -5.022 -10.196 3.081 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -6.206 -9.453 2.117 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.615 -4.280 -0.922 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.836 -3.887 -2.286 1.00 0.18 C ATOM 1135 C VAL A 470 -5.779 -4.510 -3.166 1.00 0.18 C ATOM 1136 O VAL A 470 -6.007 -4.814 -4.335 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.731 -2.369 -2.380 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -7.139 -1.870 -3.756 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.542 -1.735 -1.260 1.00 0.59 C ATOM 0 H VAL A 470 -5.829 -3.800 -0.485 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.822 -4.218 -2.612 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.691 -2.070 -2.251 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -7.053 -0.784 -3.789 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.486 -2.309 -4.511 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -8.171 -2.158 -3.956 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.468 -0.650 -1.326 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.586 -2.033 -1.353 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.154 -2.067 -0.297 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.620 -4.716 -2.570 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.476 -5.199 -3.292 1.00 0.19 C ATOM 1151 C ARG A 471 -2.424 -5.709 -2.325 1.00 0.18 C ATOM 1152 O ARG A 471 -2.175 -5.102 -1.284 1.00 0.22 O ATOM 1153 CB ARG A 471 -2.910 -4.088 -4.176 1.00 0.28 C ATOM 1154 CG ARG A 471 -1.628 -4.479 -4.874 1.00 0.77 C ATOM 1155 CD ARG A 471 -1.584 -3.944 -6.286 1.00 0.52 C ATOM 1156 NE ARG A 471 -0.352 -4.349 -6.973 1.00 1.18 N ATOM 1157 CZ ARG A 471 0.077 -3.829 -8.121 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -0.618 -2.883 -8.730 1.00 1.39 N ATOM 1159 NH2 ARG A 471 1.205 -4.265 -8.667 1.00 2.13 N ATOM 0 H ARG A 471 -4.453 -4.552 -1.577 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.780 -6.027 -3.932 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -3.654 -3.813 -4.924 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -2.729 -3.203 -3.566 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -0.775 -4.098 -4.312 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -1.538 -5.565 -4.892 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -2.449 -4.307 -6.842 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -1.651 -2.856 -6.267 1.00 0.52 H new ATOM 0 HE ARG A 471 0.215 -5.079 -6.541 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -1.489 -2.547 -8.320 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -0.283 -2.490 -9.609 1.00 1.39 H new ATOM 0 HH21 ARG A 471 1.744 -4.999 -8.207 1.00 2.13 H new ATOM 0 HH22 ARG A 471 1.533 -3.866 -9.547 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.839 -6.837 -2.665 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.752 -7.410 -1.895 1.00 0.18 C ATOM 1175 C GLU A 472 0.342 -7.854 -2.848 1.00 0.18 C ATOM 1176 O GLU A 472 0.065 -8.555 -3.826 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.221 -8.598 -1.059 1.00 0.21 C ATOM 1178 CG GLU A 472 -0.103 -9.587 -0.772 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.424 -10.538 0.360 1.00 0.29 C ATOM 1180 OE1 GLU A 472 0.421 -10.697 1.263 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -1.536 -11.108 0.371 1.00 0.65 O ATOM 0 H GLU A 472 -2.103 -7.385 -3.484 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.375 -6.652 -1.209 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.631 -8.235 -0.117 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -2.029 -9.110 -1.582 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.104 -10.163 -1.674 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.806 -9.037 -0.529 1.00 0.21 H new ATOM 1188 N GLU A 473 1.573 -7.453 -2.584 1.00 0.16 N ATOM 1189 CA GLU A 473 2.656 -7.783 -3.485 1.00 0.17 C ATOM 1190 C GLU A 473 4.004 -7.665 -2.824 1.00 0.20 C ATOM 1191 O GLU A 473 4.305 -6.674 -2.163 1.00 0.26 O ATOM 1192 CB GLU A 473 2.576 -6.890 -4.729 1.00 0.23 C ATOM 1193 CG GLU A 473 3.617 -7.183 -5.792 1.00 0.27 C ATOM 1194 CD GLU A 473 3.464 -6.282 -7.000 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.347 -5.435 -7.238 1.00 2.26 O ATOM 1196 OE2 GLU A 473 2.449 -6.414 -7.718 1.00 1.25 O ATOM 0 H GLU A 473 1.843 -6.907 -1.766 1.00 0.16 H new ATOM 0 HA GLU A 473 2.545 -8.827 -3.779 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.586 -6.996 -5.172 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.677 -5.850 -4.419 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.613 -7.056 -5.369 1.00 0.27 H new ATOM 0 HG3 GLU A 473 3.534 -8.224 -6.104 1.00 0.27 H new ATOM 1203 N VAL A 474 4.817 -8.688 -3.018 1.00 0.24 N ATOM 1204 CA VAL A 474 6.131 -8.696 -2.439 1.00 0.28 C ATOM 1205 C VAL A 474 7.133 -8.147 -3.432 1.00 0.21 C ATOM 1206 O VAL A 474 7.341 -8.723 -4.503 1.00 0.28 O ATOM 1207 CB VAL A 474 6.603 -10.096 -2.020 1.00 0.49 C ATOM 1208 CG1 VAL A 474 7.730 -10.008 -1.002 1.00 0.80 C ATOM 1209 CG2 VAL A 474 5.457 -10.935 -1.490 1.00 1.22 C ATOM 0 H VAL A 474 4.585 -9.514 -3.569 1.00 0.24 H new ATOM 0 HA VAL A 474 6.069 -8.077 -1.544 1.00 0.28 H new ATOM 0 HB VAL A 474 6.988 -10.593 -2.911 1.00 0.49 H new ATOM 0 HG11 VAL A 474 8.046 -11.013 -0.722 1.00 0.80 H new ATOM 0 HG12 VAL A 474 8.572 -9.471 -1.437 1.00 0.80 H new ATOM 0 HG13 VAL A 474 7.380 -9.477 -0.117 1.00 0.80 H new ATOM 0 HG21 VAL A 474 5.829 -11.919 -1.203 1.00 1.22 H new ATOM 0 HG22 VAL A 474 5.019 -10.445 -0.620 1.00 1.22 H new ATOM 0 HG23 VAL A 474 4.698 -11.045 -2.265 1.00 1.22 H new ATOM 1219 N VAL A 475 7.743 -7.038 -3.087 1.00 0.19 N ATOM 1220 CA VAL A 475 8.687 -6.390 -3.974 1.00 0.19 C ATOM 1221 C VAL A 475 10.033 -6.222 -3.329 1.00 0.19 C ATOM 1222 O VAL A 475 10.164 -5.776 -2.193 1.00 0.26 O ATOM 1223 CB VAL A 475 8.214 -4.999 -4.423 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.468 -4.818 -5.903 1.00 0.41 C ATOM 1225 CG2 VAL A 475 6.746 -4.768 -4.095 1.00 0.32 C ATOM 0 H VAL A 475 7.604 -6.562 -2.196 1.00 0.19 H new ATOM 0 HA VAL A 475 8.760 -7.048 -4.840 1.00 0.19 H new ATOM 0 HB VAL A 475 8.788 -4.255 -3.871 1.00 0.22 H new ATOM 0 HG11 VAL A 475 8.129 -3.829 -6.212 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.535 -4.915 -6.104 1.00 0.41 H new ATOM 0 HG13 VAL A 475 7.923 -5.579 -6.461 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.451 -3.773 -4.429 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.138 -5.516 -4.603 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.597 -4.849 -3.018 1.00 0.32 H new ATOM 1235 N THR A 476 11.022 -6.607 -4.082 1.00 0.24 N ATOM 1236 CA THR A 476 12.388 -6.331 -3.768 1.00 0.24 C ATOM 1237 C THR A 476 12.747 -4.945 -4.268 1.00 0.26 C ATOM 1238 O THR A 476 12.588 -4.627 -5.452 1.00 0.33 O ATOM 1239 CB THR A 476 13.255 -7.385 -4.433 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.114 -8.634 -3.742 1.00 0.32 O ATOM 1241 CG2 THR A 476 14.721 -6.971 -4.488 1.00 0.38 C ATOM 0 H THR A 476 10.896 -7.132 -4.948 1.00 0.24 H new ATOM 0 HA THR A 476 12.550 -6.360 -2.690 1.00 0.24 H new ATOM 0 HB THR A 476 12.914 -7.496 -5.462 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.674 -9.312 -4.175 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.303 -7.756 -4.972 1.00 0.38 H new ATOM 0 HG22 THR A 476 14.817 -6.046 -5.056 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.093 -6.815 -3.475 1.00 0.38 H new ATOM 1249 N VAL A 477 13.204 -4.128 -3.354 1.00 0.25 N ATOM 1250 CA VAL A 477 13.446 -2.733 -3.614 1.00 0.29 C ATOM 1251 C VAL A 477 14.828 -2.496 -4.207 1.00 0.33 C ATOM 1252 O VAL A 477 15.836 -2.962 -3.675 1.00 0.37 O ATOM 1253 CB VAL A 477 13.289 -1.959 -2.304 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.681 -0.502 -2.467 1.00 0.35 C ATOM 1255 CG2 VAL A 477 11.857 -2.087 -1.811 1.00 0.31 C ATOM 0 H VAL A 477 13.420 -4.416 -2.400 1.00 0.25 H new ATOM 0 HA VAL A 477 12.722 -2.384 -4.350 1.00 0.29 H new ATOM 0 HB VAL A 477 13.963 -2.388 -1.562 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.557 0.017 -1.516 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.723 -0.438 -2.782 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.045 -0.036 -3.220 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.743 -1.536 -0.877 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.177 -1.679 -2.559 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.623 -3.138 -1.643 1.00 0.31 H new