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 -74:sc= 1.11 USER MOD Set 1.2: A 476 THR OG1 : rot 180:sc= 0.928 USER MOD Set 2.1: A 416 THR OG1 : rot 140:sc= 1.26 USER MOD Set 2.2: A 419 TYR OH : rot 180:sc= 0.267 USER MOD Set 3.1: A 407 THR OG1 : rot 180:sc= 1.11 USER MOD Set 3.2: A 445 THR OG1 : rot -47:sc= 1.23 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 GLN : amide:sc= 0.0913 K(o=0.091,f=-1.9!) USER MOD Single : A 406 THR OG1 : rot -160:sc= -1.49! USER MOD Single : A 409 SER OG : rot 180:sc= 0 USER MOD Single : A 414 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.5!) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 422 SER OG : rot 180:sc= 0 USER MOD Single : A 423 CYS SG : rot 130:sc= -2.27 USER MOD Single : A 424 HIS : no HD1:sc=-0.00512 X(o=-0.0051,f=0) USER MOD Single : A 428 THR OG1 : rot 180:sc= -0.0683 USER MOD Single : A 434 GLN : amide:sc= -0.0625 K(o=-0.063,f=-1.5!) USER MOD Single : A 440 THR OG1 : rot 180:sc= 0.00695 USER MOD Single : A 441 SER OG : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 SER OG : rot 180:sc= 0 USER MOD Single : A 447 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 61:sc= 1.59 USER MOD Single : A 456 ASN : amide:sc= -1.3 K(o=-1.3,f=-4!) USER MOD Single : A 463 LYS NZ :NH3+ 162:sc= 0.0523 (180deg=-0.339) USER MOD Single : A 465 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 466 GLN : amide:sc= 0.171 X(o=0.17,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+ 139:sc=-0.00337 (180deg=-0.619) USER MOD ----------------------------------------------------------------- ATOM 120 N SER A 404 14.561 4.778 -1.285 1.00 0.30 N ATOM 121 CA SER A 404 14.049 4.500 -2.609 1.00 0.27 C ATOM 122 C SER A 404 12.568 4.839 -2.660 1.00 0.28 C ATOM 123 O SER A 404 11.866 4.705 -1.654 1.00 0.43 O ATOM 124 CB SER A 404 14.283 3.030 -2.954 1.00 0.28 C ATOM 125 OG SER A 404 13.891 2.739 -4.286 1.00 1.04 O ATOM 0 HA SER A 404 14.572 5.112 -3.344 1.00 0.27 H new ATOM 0 HB2 SER A 404 15.338 2.788 -2.823 1.00 0.28 H new ATOM 0 HB3 SER A 404 13.723 2.400 -2.263 1.00 0.28 H new ATOM 0 HG SER A 404 14.055 1.792 -4.476 1.00 1.04 H new ATOM 131 N GLN A 405 12.093 5.305 -3.805 1.00 0.26 N ATOM 132 CA GLN A 405 10.692 5.656 -3.939 1.00 0.26 C ATOM 133 C GLN A 405 9.983 4.673 -4.853 1.00 0.27 C ATOM 134 O GLN A 405 10.194 4.669 -6.065 1.00 0.43 O ATOM 135 CB GLN A 405 10.499 7.073 -4.483 1.00 0.30 C ATOM 136 CG GLN A 405 11.675 8.018 -4.286 1.00 0.33 C ATOM 137 CD GLN A 405 12.588 8.052 -5.496 1.00 0.58 C ATOM 138 OE1 GLN A 405 12.740 7.054 -6.201 1.00 0.99 O ATOM 139 NE2 GLN A 405 13.190 9.201 -5.762 1.00 0.91 N ATOM 0 H GLN A 405 12.653 5.447 -4.646 1.00 0.26 H new ATOM 0 HA GLN A 405 10.261 5.614 -2.939 1.00 0.26 H new ATOM 0 HB2 GLN A 405 10.283 7.007 -5.549 1.00 0.30 H new ATOM 0 HB3 GLN A 405 9.621 7.510 -4.007 1.00 0.30 H new ATOM 0 HG2 GLN A 405 11.303 9.023 -4.085 1.00 0.33 H new ATOM 0 HG3 GLN A 405 12.246 7.708 -3.410 1.00 0.33 H new ATOM 0 HE21 GLN A 405 13.041 10.007 -5.156 1.00 0.91 H new ATOM 0 HE22 GLN A 405 13.803 9.280 -6.573 1.00 0.91 H new ATOM 148 N THR A 406 9.137 3.845 -4.269 1.00 0.18 N ATOM 149 CA THR A 406 8.336 2.914 -5.024 1.00 0.19 C ATOM 150 C THR A 406 6.968 3.491 -5.287 1.00 0.17 C ATOM 151 O THR A 406 6.101 3.515 -4.417 1.00 0.16 O ATOM 152 CB THR A 406 8.190 1.584 -4.274 1.00 0.21 C ATOM 153 OG1 THR A 406 9.485 1.072 -3.936 1.00 0.27 O ATOM 154 CG2 THR A 406 7.438 0.570 -5.102 1.00 0.29 C ATOM 0 H THR A 406 8.990 3.803 -3.261 1.00 0.18 H new ATOM 0 HA THR A 406 8.842 2.731 -5.972 1.00 0.19 H new ATOM 0 HB THR A 406 7.621 1.768 -3.363 1.00 0.21 H new ATOM 0 HG1 THR A 406 9.420 0.111 -3.754 1.00 0.27 H new ATOM 0 HG21 THR A 406 7.350 -0.362 -4.544 1.00 0.29 H new ATOM 0 HG22 THR A 406 6.443 0.952 -5.329 1.00 0.29 H new ATOM 0 HG23 THR A 406 7.977 0.387 -6.031 1.00 0.29 H new ATOM 162 N THR A 407 6.802 3.987 -6.480 1.00 0.19 N ATOM 163 CA THR A 407 5.527 4.451 -6.934 1.00 0.19 C ATOM 164 C THR A 407 4.649 3.253 -7.272 1.00 0.19 C ATOM 165 O THR A 407 4.933 2.501 -8.201 1.00 0.26 O ATOM 166 CB THR A 407 5.723 5.355 -8.148 1.00 0.24 C ATOM 167 OG1 THR A 407 6.346 6.581 -7.735 1.00 0.26 O ATOM 168 CG2 THR A 407 4.406 5.646 -8.862 1.00 0.24 C ATOM 0 H THR A 407 7.551 4.080 -7.166 1.00 0.19 H new ATOM 0 HA THR A 407 5.033 5.029 -6.153 1.00 0.19 H new ATOM 0 HB THR A 407 6.366 4.834 -8.857 1.00 0.24 H new ATOM 0 HG1 THR A 407 6.473 7.162 -8.514 1.00 0.26 H new ATOM 0 HG21 THR A 407 4.592 6.293 -9.720 1.00 0.24 H new ATOM 0 HG22 THR A 407 3.962 4.710 -9.203 1.00 0.24 H new ATOM 0 HG23 THR A 407 3.722 6.143 -8.175 1.00 0.24 H new ATOM 176 N ILE A 408 3.598 3.077 -6.497 1.00 0.21 N ATOM 177 CA ILE A 408 2.744 1.904 -6.625 1.00 0.21 C ATOM 178 C ILE A 408 1.306 2.321 -6.805 1.00 0.18 C ATOM 179 O ILE A 408 0.809 3.222 -6.129 1.00 0.16 O ATOM 180 CB ILE A 408 2.893 0.893 -5.435 1.00 0.23 C ATOM 181 CG1 ILE A 408 1.640 0.027 -5.251 1.00 0.21 C ATOM 182 CG2 ILE A 408 3.189 1.595 -4.123 1.00 0.25 C ATOM 183 CD1 ILE A 408 1.919 -1.320 -4.626 1.00 0.27 C ATOM 0 H ILE A 408 3.311 3.731 -5.769 1.00 0.21 H new ATOM 0 HA ILE A 408 3.077 1.369 -7.514 1.00 0.21 H new ATOM 0 HB ILE A 408 3.736 0.255 -5.701 1.00 0.23 H new ATOM 0 HG12 ILE A 408 0.925 0.565 -4.629 1.00 0.21 H new ATOM 0 HG13 ILE A 408 1.167 -0.124 -6.222 1.00 0.21 H new ATOM 0 HG21 ILE A 408 3.284 0.855 -3.328 1.00 0.25 H new ATOM 0 HG22 ILE A 408 4.120 2.154 -4.212 1.00 0.25 H new ATOM 0 HG23 ILE A 408 2.376 2.281 -3.886 1.00 0.25 H new ATOM 0 HD11 ILE A 408 0.986 -1.876 -4.528 1.00 0.27 H new ATOM 0 HD12 ILE A 408 2.609 -1.879 -5.258 1.00 0.27 H new ATOM 0 HD13 ILE A 408 2.363 -1.179 -3.641 1.00 0.27 H new ATOM 195 N SER A 409 0.663 1.684 -7.757 1.00 0.18 N ATOM 196 CA SER A 409 -0.708 1.981 -8.083 1.00 0.16 C ATOM 197 C SER A 409 -1.601 0.786 -7.806 1.00 0.13 C ATOM 198 O SER A 409 -1.155 -0.362 -7.811 1.00 0.15 O ATOM 199 CB SER A 409 -0.811 2.403 -9.544 1.00 0.21 C ATOM 200 OG SER A 409 0.071 1.642 -10.355 1.00 0.71 O ATOM 0 H SER A 409 1.078 0.946 -8.326 1.00 0.18 H new ATOM 0 HA SER A 409 -1.047 2.803 -7.453 1.00 0.16 H new ATOM 0 HB2 SER A 409 -1.835 2.273 -9.893 1.00 0.21 H new ATOM 0 HB3 SER A 409 -0.574 3.463 -9.638 1.00 0.21 H new ATOM 0 HG SER A 409 -0.013 1.929 -11.288 1.00 0.71 H new ATOM 206 N TRP A 410 -2.853 1.079 -7.550 1.00 0.16 N ATOM 207 CA TRP A 410 -3.861 0.074 -7.297 1.00 0.17 C ATOM 208 C TRP A 410 -5.145 0.543 -7.893 1.00 0.18 C ATOM 209 O TRP A 410 -5.269 1.699 -8.301 1.00 0.19 O ATOM 210 CB TRP A 410 -4.032 -0.165 -5.794 1.00 0.16 C ATOM 211 CG TRP A 410 -4.364 1.083 -5.021 1.00 0.14 C ATOM 212 CD1 TRP A 410 -5.599 1.599 -4.696 1.00 0.14 C ATOM 213 CD2 TRP A 410 -3.403 1.990 -4.485 1.00 0.13 C ATOM 214 NE1 TRP A 410 -5.439 2.759 -3.972 1.00 0.13 N ATOM 215 CE2 TRP A 410 -4.101 3.018 -3.835 1.00 0.12 C ATOM 216 CE3 TRP A 410 -2.008 2.021 -4.495 1.00 0.14 C ATOM 217 CZ2 TRP A 410 -3.447 4.069 -3.196 1.00 0.14 C ATOM 218 CZ3 TRP A 410 -1.360 3.056 -3.871 1.00 0.15 C ATOM 219 CH2 TRP A 410 -2.077 4.072 -3.225 1.00 0.14 C ATOM 0 H TRP A 410 -3.207 2.035 -7.511 1.00 0.16 H new ATOM 0 HA TRP A 410 -3.556 -0.871 -7.747 1.00 0.17 H new ATOM 0 HB2 TRP A 410 -4.822 -0.900 -5.639 1.00 0.16 H new ATOM 0 HB3 TRP A 410 -3.113 -0.596 -5.396 1.00 0.16 H new ATOM 0 HD1 TRP A 410 -6.548 1.161 -4.968 1.00 0.14 H new ATOM 0 HE1 TRP A 410 -6.195 3.333 -3.598 1.00 0.13 H new ATOM 0 HE3 TRP A 410 -1.446 1.241 -4.987 1.00 0.14 H new ATOM 0 HZ2 TRP A 410 -3.999 4.852 -2.697 1.00 0.14 H new ATOM 0 HZ3 TRP A 410 -0.281 3.089 -3.878 1.00 0.15 H new ATOM 0 HH2 TRP A 410 -1.539 4.873 -2.740 1.00 0.14 H new ATOM 230 N ALA A 411 -6.094 -0.342 -7.948 1.00 0.19 N ATOM 231 CA ALA A 411 -7.321 -0.034 -8.573 1.00 0.22 C ATOM 232 C ALA A 411 -8.287 0.550 -7.577 1.00 0.19 C ATOM 233 O ALA A 411 -8.379 0.096 -6.434 1.00 0.19 O ATOM 234 CB ALA A 411 -7.879 -1.256 -9.240 1.00 0.26 C ATOM 0 H ALA A 411 -6.031 -1.284 -7.562 1.00 0.19 H new ATOM 0 HA ALA A 411 -7.153 0.719 -9.343 1.00 0.22 H new ATOM 0 HB1 ALA A 411 -8.826 -1.008 -9.720 1.00 0.26 H new ATOM 0 HB2 ALA A 411 -7.175 -1.614 -9.991 1.00 0.26 H new ATOM 0 HB3 ALA A 411 -8.042 -2.035 -8.495 1.00 0.26 H new ATOM 240 N PRO A 412 -8.991 1.582 -8.022 1.00 0.20 N ATOM 241 CA PRO A 412 -9.908 2.343 -7.204 1.00 0.19 C ATOM 242 C PRO A 412 -10.845 1.459 -6.422 1.00 0.20 C ATOM 243 O PRO A 412 -11.617 0.680 -6.989 1.00 0.23 O ATOM 244 CB PRO A 412 -10.718 3.157 -8.186 1.00 0.24 C ATOM 245 CG PRO A 412 -10.022 3.078 -9.509 1.00 0.26 C ATOM 246 CD PRO A 412 -8.919 2.064 -9.396 1.00 0.23 C ATOM 0 HA PRO A 412 -9.361 2.943 -6.476 1.00 0.19 H new ATOM 0 HB2 PRO A 412 -11.734 2.768 -8.262 1.00 0.24 H new ATOM 0 HB3 PRO A 412 -10.797 4.192 -7.854 1.00 0.24 H new ATOM 0 HG2 PRO A 412 -10.724 2.791 -10.292 1.00 0.26 H new ATOM 0 HG3 PRO A 412 -9.617 4.052 -9.785 1.00 0.26 H new ATOM 0 HD2 PRO A 412 -9.056 1.250 -10.108 1.00 0.23 H new ATOM 0 HD3 PRO A 412 -7.948 2.512 -9.607 1.00 0.23 H new ATOM 254 N PHE A 413 -10.782 1.597 -5.128 1.00 0.21 N ATOM 255 CA PHE A 413 -11.517 0.730 -4.245 1.00 0.30 C ATOM 256 C PHE A 413 -12.896 1.286 -3.891 1.00 0.51 C ATOM 257 O PHE A 413 -13.727 0.561 -3.341 1.00 1.35 O ATOM 258 CB PHE A 413 -10.711 0.498 -2.967 1.00 0.30 C ATOM 259 CG PHE A 413 -11.324 -0.510 -2.054 1.00 0.37 C ATOM 260 CD1 PHE A 413 -12.002 -0.092 -0.934 1.00 0.36 C ATOM 261 CD2 PHE A 413 -11.250 -1.862 -2.332 1.00 0.51 C ATOM 262 CE1 PHE A 413 -12.605 -1.000 -0.093 1.00 0.45 C ATOM 263 CE2 PHE A 413 -11.843 -2.785 -1.494 1.00 0.61 C ATOM 264 CZ PHE A 413 -12.526 -2.353 -0.371 1.00 0.57 C ATOM 0 H PHE A 413 -10.224 2.308 -4.656 1.00 0.21 H new ATOM 0 HA PHE A 413 -11.674 -0.212 -4.770 1.00 0.30 H new ATOM 0 HB2 PHE A 413 -9.706 0.171 -3.234 1.00 0.30 H new ATOM 0 HB3 PHE A 413 -10.608 1.444 -2.435 1.00 0.30 H new ATOM 0 HD1 PHE A 413 -12.063 0.963 -0.711 1.00 0.36 H new ATOM 0 HD2 PHE A 413 -10.724 -2.199 -3.213 1.00 0.51 H new ATOM 0 HE1 PHE A 413 -13.138 -0.657 0.781 1.00 0.45 H new ATOM 0 HE2 PHE A 413 -11.774 -3.840 -1.714 1.00 0.61 H new ATOM 0 HZ PHE A 413 -12.996 -3.070 0.286 1.00 0.57 H new ATOM 274 N GLN A 414 -13.119 2.558 -4.218 1.00 0.54 N ATOM 275 CA GLN A 414 -14.385 3.289 -3.844 1.00 0.53 C ATOM 276 C GLN A 414 -14.239 4.054 -2.610 1.00 0.44 C ATOM 277 O GLN A 414 -13.946 3.528 -1.539 1.00 0.48 O ATOM 278 CB GLN A 414 -15.667 2.450 -3.644 1.00 0.71 C ATOM 279 CG GLN A 414 -16.291 1.924 -4.893 1.00 1.28 C ATOM 280 CD GLN A 414 -17.300 0.852 -4.543 1.00 1.51 C ATOM 281 OE1 GLN A 414 -17.103 0.094 -3.595 1.00 2.11 O ATOM 282 NE2 GLN A 414 -18.406 0.803 -5.243 1.00 1.89 N ATOM 0 H GLN A 414 -12.454 3.127 -4.742 1.00 0.54 H new ATOM 0 HA GLN A 414 -14.519 3.904 -4.734 1.00 0.53 H new ATOM 0 HB2 GLN A 414 -15.431 1.608 -2.994 1.00 0.71 H new ATOM 0 HB3 GLN A 414 -16.402 3.061 -3.121 1.00 0.71 H new ATOM 0 HG2 GLN A 414 -16.779 2.733 -5.437 1.00 1.28 H new ATOM 0 HG3 GLN A 414 -15.524 1.515 -5.551 1.00 1.28 H new ATOM 0 HE21 GLN A 414 -18.544 1.444 -6.025 1.00 1.89 H new ATOM 0 HE22 GLN A 414 -19.130 0.124 -5.006 1.00 1.89 H new ATOM 291 N ASP A 415 -14.441 5.313 -2.845 1.00 0.39 N ATOM 292 CA ASP A 415 -14.697 6.319 -1.850 1.00 0.34 C ATOM 293 C ASP A 415 -13.952 6.094 -0.552 1.00 0.31 C ATOM 294 O ASP A 415 -14.492 6.323 0.531 1.00 0.35 O ATOM 295 CB ASP A 415 -16.190 6.420 -1.566 1.00 0.40 C ATOM 296 CG ASP A 415 -16.959 7.105 -2.675 1.00 0.45 C ATOM 297 OD1 ASP A 415 -17.425 6.410 -3.602 1.00 0.58 O ATOM 298 OD2 ASP A 415 -17.103 8.348 -2.622 1.00 0.59 O ATOM 0 H ASP A 415 -14.432 5.693 -3.792 1.00 0.39 H new ATOM 0 HA ASP A 415 -14.327 7.254 -2.271 1.00 0.34 H new ATOM 0 HB2 ASP A 415 -16.594 5.419 -1.416 1.00 0.40 H new ATOM 0 HB3 ASP A 415 -16.341 6.967 -0.635 1.00 0.40 H new ATOM 303 N THR A 416 -12.735 5.645 -0.654 1.00 0.27 N ATOM 304 CA THR A 416 -11.985 5.250 0.504 1.00 0.23 C ATOM 305 C THR A 416 -11.618 6.485 1.321 1.00 0.24 C ATOM 306 O THR A 416 -11.418 7.565 0.773 1.00 0.25 O ATOM 307 CB THR A 416 -10.729 4.477 0.067 1.00 0.19 C ATOM 308 OG1 THR A 416 -11.098 3.315 -0.705 1.00 0.22 O ATOM 309 CG2 THR A 416 -9.908 4.047 1.265 1.00 0.22 C ATOM 0 H THR A 416 -12.236 5.542 -1.537 1.00 0.27 H new ATOM 0 HA THR A 416 -12.588 4.593 1.131 1.00 0.23 H new ATOM 0 HB THR A 416 -10.125 5.145 -0.548 1.00 0.19 H new ATOM 0 HG1 THR A 416 -10.472 3.206 -1.451 1.00 0.22 H new ATOM 0 HG21 THR A 416 -9.027 3.503 0.926 1.00 0.22 H new ATOM 0 HG22 THR A 416 -9.597 4.927 1.828 1.00 0.22 H new ATOM 0 HG23 THR A 416 -10.509 3.401 1.905 1.00 0.22 H new ATOM 317 N SER A 417 -11.651 6.348 2.634 1.00 0.25 N ATOM 318 CA SER A 417 -11.254 7.428 3.514 1.00 0.28 C ATOM 319 C SER A 417 -9.732 7.510 3.567 1.00 0.27 C ATOM 320 O SER A 417 -9.161 8.596 3.654 1.00 0.33 O ATOM 321 CB SER A 417 -11.841 7.216 4.913 1.00 0.32 C ATOM 322 OG SER A 417 -11.435 8.234 5.813 1.00 1.14 O ATOM 0 H SER A 417 -11.949 5.498 3.113 1.00 0.25 H new ATOM 0 HA SER A 417 -11.641 8.371 3.127 1.00 0.28 H new ATOM 0 HB2 SER A 417 -12.929 7.197 4.852 1.00 0.32 H new ATOM 0 HB3 SER A 417 -11.527 6.245 5.296 1.00 0.32 H new ATOM 0 HG SER A 417 -11.829 8.067 6.695 1.00 1.14 H new ATOM 328 N GLU A 418 -9.081 6.350 3.490 1.00 0.23 N ATOM 329 CA GLU A 418 -7.637 6.282 3.540 1.00 0.25 C ATOM 330 C GLU A 418 -7.125 4.933 3.064 1.00 0.19 C ATOM 331 O GLU A 418 -7.688 3.896 3.386 1.00 0.28 O ATOM 332 CB GLU A 418 -7.193 6.532 4.965 1.00 0.36 C ATOM 333 CG GLU A 418 -5.722 6.389 5.202 1.00 0.84 C ATOM 334 CD GLU A 418 -5.281 7.096 6.464 1.00 0.86 C ATOM 335 OE1 GLU A 418 -5.393 6.491 7.555 1.00 1.31 O ATOM 336 OE2 GLU A 418 -4.804 8.248 6.376 1.00 1.37 O ATOM 0 H GLU A 418 -9.541 5.445 3.392 1.00 0.23 H new ATOM 0 HA GLU A 418 -7.224 7.040 2.874 1.00 0.25 H new ATOM 0 HB2 GLU A 418 -7.496 7.539 5.253 1.00 0.36 H new ATOM 0 HB3 GLU A 418 -7.721 5.840 5.621 1.00 0.36 H new ATOM 0 HG2 GLU A 418 -5.467 5.332 5.271 1.00 0.84 H new ATOM 0 HG3 GLU A 418 -5.176 6.794 4.350 1.00 0.84 H new ATOM 343 N TYR A 419 -6.062 4.959 2.296 1.00 0.17 N ATOM 344 CA TYR A 419 -5.389 3.723 1.904 1.00 0.16 C ATOM 345 C TYR A 419 -4.121 3.583 2.715 1.00 0.19 C ATOM 346 O TYR A 419 -3.186 4.373 2.558 1.00 0.29 O ATOM 347 CB TYR A 419 -5.037 3.664 0.406 1.00 0.16 C ATOM 348 CG TYR A 419 -6.251 3.691 -0.534 1.00 0.14 C ATOM 349 CD1 TYR A 419 -7.046 2.562 -0.732 1.00 0.12 C ATOM 350 CD2 TYR A 419 -6.598 4.852 -1.244 1.00 0.17 C ATOM 351 CE1 TYR A 419 -8.118 2.591 -1.595 1.00 0.12 C ATOM 352 CE2 TYR A 419 -7.683 4.871 -2.103 1.00 0.18 C ATOM 353 CZ TYR A 419 -8.480 3.744 -2.206 1.00 0.14 C ATOM 354 OH TYR A 419 -9.473 3.740 -3.158 1.00 0.19 O ATOM 0 H TYR A 419 -5.639 5.811 1.927 1.00 0.17 H new ATOM 0 HA TYR A 419 -6.083 2.905 2.096 1.00 0.16 H new ATOM 0 HB2 TYR A 419 -4.388 4.506 0.165 1.00 0.16 H new ATOM 0 HB3 TYR A 419 -4.466 2.756 0.215 1.00 0.16 H new ATOM 0 HD1 TYR A 419 -6.817 1.651 -0.200 1.00 0.12 H new ATOM 0 HD2 TYR A 419 -6.007 5.747 -1.117 1.00 0.17 H new ATOM 0 HE1 TYR A 419 -8.675 1.686 -1.787 1.00 0.12 H new ATOM 0 HE2 TYR A 419 -7.905 5.753 -2.685 1.00 0.18 H new ATOM 0 HH TYR A 419 -9.608 4.651 -3.494 1.00 0.19 H new ATOM 364 N ILE A 420 -4.098 2.606 3.597 1.00 0.18 N ATOM 365 CA ILE A 420 -2.921 2.350 4.391 1.00 0.18 C ATOM 366 C ILE A 420 -2.126 1.230 3.761 1.00 0.17 C ATOM 367 O ILE A 420 -2.592 0.093 3.658 1.00 0.21 O ATOM 368 CB ILE A 420 -3.261 2.003 5.852 1.00 0.22 C ATOM 369 CG1 ILE A 420 -3.828 3.236 6.541 1.00 0.32 C ATOM 370 CG2 ILE A 420 -2.012 1.514 6.592 1.00 0.26 C ATOM 371 CD1 ILE A 420 -4.890 2.932 7.562 1.00 0.32 C ATOM 0 H ILE A 420 -4.881 1.978 3.780 1.00 0.18 H new ATOM 0 HA ILE A 420 -2.329 3.265 4.412 1.00 0.18 H new ATOM 0 HB ILE A 420 -4.002 1.203 5.867 1.00 0.22 H new ATOM 0 HG12 ILE A 420 -3.014 3.774 7.027 1.00 0.32 H new ATOM 0 HG13 ILE A 420 -4.245 3.902 5.786 1.00 0.32 H new ATOM 0 HG21 ILE A 420 -2.271 1.273 7.623 1.00 0.26 H new ATOM 0 HG22 ILE A 420 -1.622 0.624 6.099 1.00 0.26 H new ATOM 0 HG23 ILE A 420 -1.253 2.296 6.582 1.00 0.26 H new ATOM 0 HD11 ILE A 420 -5.243 3.862 8.008 1.00 0.32 H new ATOM 0 HD12 ILE A 420 -5.723 2.422 7.079 1.00 0.32 H new ATOM 0 HD13 ILE A 420 -4.474 2.292 8.340 1.00 0.32 H new ATOM 383 N ILE A 421 -0.935 1.562 3.318 1.00 0.15 N ATOM 384 CA ILE A 421 -0.081 0.592 2.676 1.00 0.18 C ATOM 385 C ILE A 421 0.907 0.070 3.688 1.00 0.19 C ATOM 386 O ILE A 421 1.566 0.840 4.383 1.00 0.30 O ATOM 387 CB ILE A 421 0.683 1.182 1.478 1.00 0.19 C ATOM 388 CG1 ILE A 421 -0.300 1.648 0.397 1.00 0.20 C ATOM 389 CG2 ILE A 421 1.633 0.127 0.931 1.00 0.24 C ATOM 390 CD1 ILE A 421 0.262 2.687 -0.537 1.00 0.32 C ATOM 0 H ILE A 421 -0.536 2.498 3.391 1.00 0.15 H new ATOM 0 HA ILE A 421 -0.714 -0.209 2.295 1.00 0.18 H new ATOM 0 HB ILE A 421 1.259 2.050 1.799 1.00 0.19 H new ATOM 0 HG12 ILE A 421 -0.618 0.784 -0.187 1.00 0.20 H new ATOM 0 HG13 ILE A 421 -1.190 2.052 0.880 1.00 0.20 H new ATOM 0 HG21 ILE A 421 2.180 0.535 0.081 1.00 0.24 H new ATOM 0 HG22 ILE A 421 2.338 -0.166 1.709 1.00 0.24 H new ATOM 0 HG23 ILE A 421 1.063 -0.745 0.611 1.00 0.24 H new ATOM 0 HD11 ILE A 421 -0.495 2.963 -1.271 1.00 0.32 H new ATOM 0 HD12 ILE A 421 0.554 3.569 0.033 1.00 0.32 H new ATOM 0 HD13 ILE A 421 1.134 2.282 -1.050 1.00 0.32 H new ATOM 402 N SER A 422 0.993 -1.228 3.777 1.00 0.14 N ATOM 403 CA SER A 422 1.841 -1.866 4.755 1.00 0.14 C ATOM 404 C SER A 422 2.959 -2.646 4.087 1.00 0.16 C ATOM 405 O SER A 422 2.766 -3.771 3.629 1.00 0.36 O ATOM 406 CB SER A 422 1.032 -2.799 5.637 1.00 0.18 C ATOM 407 OG SER A 422 0.213 -2.081 6.553 1.00 0.88 O ATOM 0 H SER A 422 0.481 -1.875 3.178 1.00 0.14 H new ATOM 0 HA SER A 422 2.281 -1.080 5.369 1.00 0.14 H new ATOM 0 HB2 SER A 422 0.406 -3.438 5.013 1.00 0.18 H new ATOM 0 HB3 SER A 422 1.706 -3.454 6.188 1.00 0.18 H new ATOM 0 HG SER A 422 -0.294 -2.714 7.103 1.00 0.88 H new ATOM 413 N CYS A 423 4.117 -2.033 4.030 1.00 0.14 N ATOM 414 CA CYS A 423 5.299 -2.673 3.498 1.00 0.12 C ATOM 415 C CYS A 423 5.947 -3.564 4.553 1.00 0.12 C ATOM 416 O CYS A 423 6.662 -3.077 5.427 1.00 0.13 O ATOM 417 CB CYS A 423 6.281 -1.613 3.047 1.00 0.14 C ATOM 418 SG CYS A 423 5.588 -0.403 1.899 1.00 0.95 S ATOM 0 H CYS A 423 4.268 -1.077 4.351 1.00 0.14 H new ATOM 0 HA CYS A 423 5.014 -3.295 2.650 1.00 0.12 H new ATOM 0 HB2 CYS A 423 6.661 -1.089 3.924 1.00 0.14 H new ATOM 0 HB3 CYS A 423 7.133 -2.101 2.573 1.00 0.14 H new ATOM 0 HG CYS A 423 5.863 0.797 2.316 1.00 0.95 H new ATOM 424 N HIS A 424 5.689 -4.861 4.477 1.00 0.13 N ATOM 425 CA HIS A 424 6.270 -5.812 5.425 1.00 0.15 C ATOM 426 C HIS A 424 7.605 -6.333 4.912 1.00 0.15 C ATOM 427 O HIS A 424 7.659 -7.061 3.929 1.00 0.16 O ATOM 428 CB HIS A 424 5.333 -6.990 5.674 1.00 0.18 C ATOM 429 CG HIS A 424 4.149 -6.668 6.531 1.00 0.19 C ATOM 430 ND1 HIS A 424 4.117 -6.907 7.885 1.00 0.24 N ATOM 431 CD2 HIS A 424 2.945 -6.145 6.215 1.00 0.24 C ATOM 432 CE1 HIS A 424 2.945 -6.544 8.366 1.00 0.25 C ATOM 433 NE2 HIS A 424 2.208 -6.077 7.374 1.00 0.25 N ATOM 0 H HIS A 424 5.084 -5.282 3.773 1.00 0.13 H new ATOM 0 HA HIS A 424 6.423 -5.281 6.364 1.00 0.15 H new ATOM 0 HB2 HIS A 424 4.980 -7.367 4.714 1.00 0.18 H new ATOM 0 HB3 HIS A 424 5.898 -7.795 6.144 1.00 0.18 H new ATOM 0 HD2 HIS A 424 2.620 -5.837 5.232 1.00 0.24 H new ATOM 0 HE1 HIS A 424 2.638 -6.616 9.399 1.00 0.25 H new ATOM 0 HE2 HIS A 424 1.254 -5.726 7.454 1.00 0.25 H new ATOM 442 N PRO A 425 8.690 -5.972 5.585 1.00 0.17 N ATOM 443 CA PRO A 425 10.032 -6.336 5.164 1.00 0.17 C ATOM 444 C PRO A 425 10.346 -7.799 5.362 1.00 0.18 C ATOM 445 O PRO A 425 9.977 -8.423 6.360 1.00 0.24 O ATOM 446 CB PRO A 425 10.957 -5.469 6.015 1.00 0.21 C ATOM 447 CG PRO A 425 10.115 -4.853 7.082 1.00 0.32 C ATOM 448 CD PRO A 425 8.675 -5.200 6.824 1.00 0.22 C ATOM 0 HA PRO A 425 10.152 -6.171 4.093 1.00 0.17 H new ATOM 0 HB2 PRO A 425 11.755 -6.069 6.452 1.00 0.21 H new ATOM 0 HB3 PRO A 425 11.433 -4.700 5.407 1.00 0.21 H new ATOM 0 HG2 PRO A 425 10.421 -5.218 8.062 1.00 0.32 H new ATOM 0 HG3 PRO A 425 10.247 -3.771 7.089 1.00 0.32 H new ATOM 0 HD2 PRO A 425 8.255 -5.780 7.646 1.00 0.22 H new ATOM 0 HD3 PRO A 425 8.065 -4.303 6.723 1.00 0.22 H new ATOM 456 N VAL A 426 11.008 -8.322 4.361 1.00 0.15 N ATOM 457 CA VAL A 426 11.493 -9.678 4.345 1.00 0.19 C ATOM 458 C VAL A 426 13.018 -9.652 4.440 1.00 0.20 C ATOM 459 O VAL A 426 13.667 -8.842 3.774 1.00 0.20 O ATOM 460 CB VAL A 426 11.110 -10.365 3.032 1.00 0.20 C ATOM 461 CG1 VAL A 426 11.387 -11.859 3.070 1.00 0.27 C ATOM 462 CG2 VAL A 426 9.671 -10.080 2.644 1.00 0.21 C ATOM 0 H VAL A 426 11.230 -7.802 3.512 1.00 0.15 H new ATOM 0 HA VAL A 426 11.055 -10.222 5.182 1.00 0.19 H new ATOM 0 HB VAL A 426 11.747 -9.937 2.258 1.00 0.20 H new ATOM 0 HG11 VAL A 426 11.100 -12.306 2.118 1.00 0.27 H new ATOM 0 HG12 VAL A 426 12.450 -12.028 3.245 1.00 0.27 H new ATOM 0 HG13 VAL A 426 10.810 -12.316 3.874 1.00 0.27 H new ATOM 0 HG21 VAL A 426 9.440 -10.586 1.707 1.00 0.21 H new ATOM 0 HG22 VAL A 426 9.004 -10.443 3.426 1.00 0.21 H new ATOM 0 HG23 VAL A 426 9.534 -9.006 2.520 1.00 0.21 H new ATOM 472 N GLY A 427 13.584 -10.511 5.265 1.00 0.26 N ATOM 473 CA GLY A 427 15.037 -10.586 5.387 1.00 0.29 C ATOM 474 C GLY A 427 15.546 -9.817 6.584 1.00 0.32 C ATOM 475 O GLY A 427 16.440 -10.275 7.297 1.00 0.38 O ATOM 0 H GLY A 427 13.071 -11.163 5.858 1.00 0.26 H new ATOM 0 HA2 GLY A 427 15.340 -11.630 5.471 1.00 0.29 H new ATOM 0 HA3 GLY A 427 15.498 -10.192 4.481 1.00 0.29 H new ATOM 479 N THR A 428 14.975 -8.647 6.806 1.00 0.31 N ATOM 480 CA THR A 428 15.316 -7.827 7.950 1.00 0.37 C ATOM 481 C THR A 428 14.317 -8.014 9.070 1.00 0.41 C ATOM 482 O THR A 428 13.342 -8.756 8.937 1.00 0.41 O ATOM 483 CB THR A 428 15.316 -6.341 7.592 1.00 0.37 C ATOM 484 OG1 THR A 428 14.220 -6.048 6.713 1.00 0.30 O ATOM 485 CG2 THR A 428 16.628 -5.918 6.953 1.00 0.42 C ATOM 0 H THR A 428 14.263 -8.241 6.199 1.00 0.31 H new ATOM 0 HA THR A 428 16.311 -8.141 8.265 1.00 0.37 H new ATOM 0 HB THR A 428 15.201 -5.775 8.516 1.00 0.37 H new ATOM 0 HG1 THR A 428 14.226 -5.094 6.490 1.00 0.30 H new ATOM 0 HG21 THR A 428 16.590 -4.856 6.713 1.00 0.42 H new ATOM 0 HG22 THR A 428 17.447 -6.104 7.647 1.00 0.42 H new ATOM 0 HG23 THR A 428 16.789 -6.491 6.040 1.00 0.42 H new ATOM 493 N ASP A 429 14.565 -7.333 10.174 1.00 0.48 N ATOM 494 CA ASP A 429 13.592 -7.263 11.239 1.00 0.54 C ATOM 495 C ASP A 429 12.986 -5.873 11.300 1.00 0.49 C ATOM 496 O ASP A 429 12.658 -5.365 12.373 1.00 0.59 O ATOM 497 CB ASP A 429 14.219 -7.603 12.582 1.00 0.69 C ATOM 498 CG ASP A 429 13.202 -8.113 13.589 1.00 1.09 C ATOM 499 OD1 ASP A 429 12.772 -9.280 13.467 1.00 1.06 O ATOM 500 OD2 ASP A 429 12.835 -7.357 14.515 1.00 1.78 O ATOM 0 H ASP A 429 15.430 -6.823 10.353 1.00 0.48 H new ATOM 0 HA ASP A 429 12.812 -7.994 11.028 1.00 0.54 H new ATOM 0 HB2 ASP A 429 14.992 -8.358 12.437 1.00 0.69 H new ATOM 0 HB3 ASP A 429 14.710 -6.717 12.984 1.00 0.69 H new ATOM 505 N GLU A 430 12.861 -5.243 10.142 1.00 0.40 N ATOM 506 CA GLU A 430 12.261 -3.931 10.071 1.00 0.38 C ATOM 507 C GLU A 430 10.782 -4.018 10.277 1.00 0.31 C ATOM 508 O GLU A 430 10.164 -5.074 10.131 1.00 0.33 O ATOM 509 CB GLU A 430 12.550 -3.248 8.728 1.00 0.38 C ATOM 510 CG GLU A 430 14.010 -2.916 8.467 1.00 0.48 C ATOM 511 CD GLU A 430 14.178 -1.999 7.275 1.00 1.58 C ATOM 512 OE1 GLU A 430 14.056 -2.485 6.129 1.00 2.50 O ATOM 513 OE2 GLU A 430 14.442 -0.798 7.476 1.00 1.64 O ATOM 0 H GLU A 430 13.167 -5.621 9.246 1.00 0.40 H new ATOM 0 HA GLU A 430 12.705 -3.330 10.865 1.00 0.38 H new ATOM 0 HB2 GLU A 430 12.193 -3.895 7.926 1.00 0.38 H new ATOM 0 HB3 GLU A 430 11.970 -2.326 8.676 1.00 0.38 H new ATOM 0 HG2 GLU A 430 14.438 -2.444 9.351 1.00 0.48 H new ATOM 0 HG3 GLU A 430 14.567 -3.838 8.297 1.00 0.48 H new ATOM 520 N GLU A 431 10.229 -2.894 10.649 1.00 0.29 N ATOM 521 CA GLU A 431 8.838 -2.786 10.867 1.00 0.26 C ATOM 522 C GLU A 431 8.161 -2.485 9.544 1.00 0.24 C ATOM 523 O GLU A 431 8.784 -1.960 8.619 1.00 0.26 O ATOM 524 CB GLU A 431 8.568 -1.685 11.884 1.00 0.29 C ATOM 525 CG GLU A 431 8.452 -0.314 11.251 1.00 0.63 C ATOM 526 CD GLU A 431 8.149 0.785 12.243 1.00 0.87 C ATOM 527 OE1 GLU A 431 9.055 1.595 12.533 1.00 1.11 O ATOM 528 OE2 GLU A 431 7.016 0.829 12.761 1.00 1.05 O ATOM 0 H GLU A 431 10.748 -2.030 10.806 1.00 0.29 H new ATOM 0 HA GLU A 431 8.439 -3.719 11.264 1.00 0.26 H new ATOM 0 HB2 GLU A 431 7.647 -1.911 12.421 1.00 0.29 H new ATOM 0 HB3 GLU A 431 9.371 -1.673 12.621 1.00 0.29 H new ATOM 0 HG2 GLU A 431 9.384 -0.081 10.736 1.00 0.63 H new ATOM 0 HG3 GLU A 431 7.667 -0.337 10.495 1.00 0.63 H new ATOM 535 N PRO A 432 6.894 -2.840 9.437 1.00 0.23 N ATOM 536 CA PRO A 432 6.114 -2.549 8.258 1.00 0.21 C ATOM 537 C PRO A 432 5.959 -1.056 8.085 1.00 0.20 C ATOM 538 O PRO A 432 5.348 -0.384 8.919 1.00 0.24 O ATOM 539 CB PRO A 432 4.749 -3.200 8.510 1.00 0.24 C ATOM 540 CG PRO A 432 4.763 -3.691 9.928 1.00 0.23 C ATOM 541 CD PRO A 432 6.159 -3.537 10.475 1.00 0.24 C ATOM 0 HA PRO A 432 6.587 -2.927 7.352 1.00 0.21 H new ATOM 0 HB2 PRO A 432 3.943 -2.482 8.357 1.00 0.24 H new ATOM 0 HB3 PRO A 432 4.579 -4.024 7.817 1.00 0.24 H new ATOM 0 HG2 PRO A 432 4.055 -3.124 10.532 1.00 0.23 H new ATOM 0 HG3 PRO A 432 4.453 -4.735 9.970 1.00 0.23 H new ATOM 0 HD2 PRO A 432 6.158 -2.970 11.406 1.00 0.24 H new ATOM 0 HD3 PRO A 432 6.607 -4.507 10.693 1.00 0.24 H new ATOM 549 N LEU A 433 6.511 -0.543 7.004 1.00 0.20 N ATOM 550 CA LEU A 433 6.345 0.844 6.665 1.00 0.20 C ATOM 551 C LEU A 433 4.926 1.075 6.230 1.00 0.20 C ATOM 552 O LEU A 433 4.483 0.572 5.195 1.00 0.30 O ATOM 553 CB LEU A 433 7.282 1.252 5.550 1.00 0.22 C ATOM 554 CG LEU A 433 8.667 1.711 5.995 1.00 0.24 C ATOM 555 CD1 LEU A 433 9.528 0.530 6.399 1.00 0.65 C ATOM 556 CD2 LEU A 433 9.343 2.528 4.908 1.00 0.73 C ATOM 0 H LEU A 433 7.081 -1.075 6.346 1.00 0.20 H new ATOM 0 HA LEU A 433 6.578 1.445 7.544 1.00 0.20 H new ATOM 0 HB2 LEU A 433 7.399 0.409 4.869 1.00 0.22 H new ATOM 0 HB3 LEU A 433 6.816 2.057 4.983 1.00 0.22 H new ATOM 0 HG LEU A 433 8.543 2.350 6.869 1.00 0.24 H new ATOM 0 HD11 LEU A 433 10.510 0.886 6.712 1.00 0.65 H new ATOM 0 HD12 LEU A 433 9.054 -0.000 7.225 1.00 0.65 H new ATOM 0 HD13 LEU A 433 9.640 -0.146 5.551 1.00 0.65 H new ATOM 0 HD21 LEU A 433 10.329 2.843 5.250 1.00 0.73 H new ATOM 0 HD22 LEU A 433 9.448 1.921 4.009 1.00 0.73 H new ATOM 0 HD23 LEU A 433 8.738 3.407 4.684 1.00 0.73 H new ATOM 568 N GLN A 434 4.222 1.804 7.040 1.00 0.17 N ATOM 569 CA GLN A 434 2.838 2.079 6.786 1.00 0.17 C ATOM 570 C GLN A 434 2.665 3.467 6.227 1.00 0.20 C ATOM 571 O GLN A 434 3.013 4.468 6.853 1.00 0.27 O ATOM 572 CB GLN A 434 2.012 1.880 8.045 1.00 0.18 C ATOM 573 CG GLN A 434 1.514 0.458 8.203 1.00 0.21 C ATOM 574 CD GLN A 434 0.991 0.179 9.620 1.00 0.38 C ATOM 575 OE1 GLN A 434 1.464 0.791 10.575 1.00 1.26 O ATOM 576 NE2 GLN A 434 0.032 -0.744 9.796 1.00 0.74 N ATOM 0 H GLN A 434 4.588 2.225 7.894 1.00 0.17 H new ATOM 0 HA GLN A 434 2.477 1.374 6.038 1.00 0.17 H new ATOM 0 HB2 GLN A 434 2.613 2.148 8.914 1.00 0.18 H new ATOM 0 HB3 GLN A 434 1.159 2.559 8.025 1.00 0.18 H new ATOM 0 HG2 GLN A 434 0.719 0.271 7.481 1.00 0.21 H new ATOM 0 HG3 GLN A 434 2.323 -0.236 7.973 1.00 0.21 H new ATOM 0 HE21 GLN A 434 -0.350 -1.243 8.992 1.00 0.74 H new ATOM 0 HE22 GLN A 434 -0.315 -0.946 10.734 1.00 0.74 H new ATOM 585 N PHE A 435 2.147 3.495 5.029 1.00 0.20 N ATOM 586 CA PHE A 435 1.913 4.740 4.322 1.00 0.23 C ATOM 587 C PHE A 435 0.429 5.009 4.207 1.00 0.21 C ATOM 588 O PHE A 435 -0.341 4.151 3.783 1.00 0.24 O ATOM 589 CB PHE A 435 2.558 4.721 2.933 1.00 0.25 C ATOM 590 CG PHE A 435 4.058 4.812 2.953 1.00 0.31 C ATOM 591 CD1 PHE A 435 4.838 3.666 2.921 1.00 0.36 C ATOM 592 CD2 PHE A 435 4.686 6.045 2.991 1.00 0.38 C ATOM 593 CE1 PHE A 435 6.217 3.751 2.929 1.00 0.43 C ATOM 594 CE2 PHE A 435 6.065 6.136 3.001 1.00 0.46 C ATOM 595 CZ PHE A 435 6.831 4.987 2.968 1.00 0.47 C ATOM 0 H PHE A 435 1.873 2.661 4.510 1.00 0.20 H new ATOM 0 HA PHE A 435 2.375 5.543 4.896 1.00 0.23 H new ATOM 0 HB2 PHE A 435 2.267 3.804 2.421 1.00 0.25 H new ATOM 0 HB3 PHE A 435 2.162 5.551 2.349 1.00 0.25 H new ATOM 0 HD1 PHE A 435 4.363 2.697 2.889 1.00 0.36 H new ATOM 0 HD2 PHE A 435 4.091 6.946 3.013 1.00 0.38 H new ATOM 0 HE1 PHE A 435 6.814 2.851 2.905 1.00 0.43 H new ATOM 0 HE2 PHE A 435 6.543 7.104 3.035 1.00 0.46 H new ATOM 0 HZ PHE A 435 7.909 5.055 2.973 1.00 0.47 H new ATOM 605 N ARG A 436 0.041 6.202 4.601 1.00 0.22 N ATOM 606 CA ARG A 436 -1.351 6.612 4.578 1.00 0.21 C ATOM 607 C ARG A 436 -1.577 7.665 3.501 1.00 0.19 C ATOM 608 O ARG A 436 -1.113 8.800 3.622 1.00 0.27 O ATOM 609 CB ARG A 436 -1.756 7.176 5.936 1.00 0.27 C ATOM 610 CG ARG A 436 -2.011 6.112 6.987 1.00 0.72 C ATOM 611 CD ARG A 436 -2.288 6.722 8.349 1.00 0.74 C ATOM 612 NE ARG A 436 -1.130 7.435 8.881 1.00 1.52 N ATOM 613 CZ ARG A 436 -1.202 8.390 9.802 1.00 2.15 C ATOM 614 NH1 ARG A 436 -2.383 8.780 10.272 1.00 2.32 N ATOM 615 NH2 ARG A 436 -0.092 8.958 10.251 1.00 3.14 N ATOM 0 H ARG A 436 0.680 6.918 4.947 1.00 0.22 H new ATOM 0 HA ARG A 436 -1.963 5.738 4.355 1.00 0.21 H new ATOM 0 HB2 ARG A 436 -0.971 7.844 6.291 1.00 0.27 H new ATOM 0 HB3 ARG A 436 -2.656 7.778 5.815 1.00 0.27 H new ATOM 0 HG2 ARG A 436 -2.859 5.498 6.684 1.00 0.72 H new ATOM 0 HG3 ARG A 436 -1.146 5.452 7.053 1.00 0.72 H new ATOM 0 HD2 ARG A 436 -3.131 7.408 8.273 1.00 0.74 H new ATOM 0 HD3 ARG A 436 -2.579 5.935 9.045 1.00 0.74 H new ATOM 0 HE ARG A 436 -0.208 7.184 8.523 1.00 1.52 H new ATOM 0 HH11 ARG A 436 -3.238 8.346 9.926 1.00 2.32 H new ATOM 0 HH12 ARG A 436 -2.434 9.513 10.979 1.00 2.32 H new ATOM 0 HH21 ARG A 436 0.815 8.662 9.890 1.00 3.14 H new ATOM 0 HH22 ARG A 436 -0.144 9.691 10.958 1.00 3.14 H new ATOM 629 N VAL A 437 -2.275 7.288 2.446 1.00 0.17 N ATOM 630 CA VAL A 437 -2.613 8.214 1.383 1.00 0.16 C ATOM 631 C VAL A 437 -4.105 8.447 1.355 1.00 0.16 C ATOM 632 O VAL A 437 -4.891 7.656 1.891 1.00 0.17 O ATOM 633 CB VAL A 437 -2.146 7.729 -0.010 1.00 0.16 C ATOM 634 CG1 VAL A 437 -0.643 7.515 -0.029 1.00 0.20 C ATOM 635 CG2 VAL A 437 -2.878 6.466 -0.434 1.00 0.14 C ATOM 0 H VAL A 437 -2.621 6.339 2.303 1.00 0.17 H new ATOM 0 HA VAL A 437 -2.086 9.143 1.599 1.00 0.16 H new ATOM 0 HB VAL A 437 -2.391 8.509 -0.731 1.00 0.16 H new ATOM 0 HG11 VAL A 437 -0.336 7.174 -1.018 1.00 0.20 H new ATOM 0 HG12 VAL A 437 -0.139 8.453 0.204 1.00 0.20 H new ATOM 0 HG13 VAL A 437 -0.373 6.764 0.713 1.00 0.20 H new ATOM 0 HG21 VAL A 437 -2.525 6.154 -1.417 1.00 0.14 H new ATOM 0 HG22 VAL A 437 -2.686 5.674 0.289 1.00 0.14 H new ATOM 0 HG23 VAL A 437 -3.949 6.664 -0.479 1.00 0.14 H new ATOM 645 N PRO A 438 -4.489 9.567 0.763 1.00 0.17 N ATOM 646 CA PRO A 438 -5.887 9.968 0.608 1.00 0.18 C ATOM 647 C PRO A 438 -6.712 8.853 -0.038 1.00 0.16 C ATOM 648 O PRO A 438 -6.247 8.187 -0.963 1.00 0.14 O ATOM 649 CB PRO A 438 -5.770 11.191 -0.332 1.00 0.19 C ATOM 650 CG PRO A 438 -4.425 11.744 -0.010 1.00 0.21 C ATOM 651 CD PRO A 438 -3.559 10.556 0.214 1.00 0.19 C ATOM 0 HA PRO A 438 -6.389 10.185 1.551 1.00 0.18 H new ATOM 0 HB2 PRO A 438 -5.845 10.901 -1.380 1.00 0.19 H new ATOM 0 HB3 PRO A 438 -6.559 11.919 -0.145 1.00 0.19 H new ATOM 0 HG2 PRO A 438 -4.046 12.359 -0.826 1.00 0.21 H new ATOM 0 HG3 PRO A 438 -4.461 12.378 0.876 1.00 0.21 H new ATOM 0 HD2 PRO A 438 -3.102 10.209 -0.713 1.00 0.19 H new ATOM 0 HD3 PRO A 438 -2.747 10.774 0.907 1.00 0.19 H new ATOM 659 N GLY A 439 -7.932 8.661 0.446 1.00 0.19 N ATOM 660 CA GLY A 439 -8.757 7.560 -0.002 1.00 0.20 C ATOM 661 C GLY A 439 -9.248 7.678 -1.434 1.00 0.18 C ATOM 662 O GLY A 439 -9.882 6.757 -1.949 1.00 0.20 O ATOM 0 H GLY A 439 -8.368 9.257 1.150 1.00 0.19 H new ATOM 0 HA2 GLY A 439 -8.190 6.634 0.098 1.00 0.20 H new ATOM 0 HA3 GLY A 439 -9.620 7.478 0.658 1.00 0.20 H new ATOM 666 N THR A 440 -9.017 8.809 -2.067 1.00 0.16 N ATOM 667 CA THR A 440 -9.415 8.970 -3.447 1.00 0.18 C ATOM 668 C THR A 440 -8.252 8.624 -4.388 1.00 0.16 C ATOM 669 O THR A 440 -8.453 8.351 -5.573 1.00 0.19 O ATOM 670 CB THR A 440 -9.879 10.412 -3.709 1.00 0.24 C ATOM 671 OG1 THR A 440 -8.898 11.334 -3.208 1.00 0.27 O ATOM 672 CG2 THR A 440 -11.221 10.680 -3.044 1.00 0.29 C ATOM 0 H THR A 440 -8.561 9.622 -1.653 1.00 0.16 H new ATOM 0 HA THR A 440 -10.243 8.289 -3.641 1.00 0.18 H new ATOM 0 HB THR A 440 -9.995 10.547 -4.784 1.00 0.24 H new ATOM 0 HG1 THR A 440 -9.195 12.252 -3.378 1.00 0.27 H new ATOM 0 HG21 THR A 440 -11.528 11.707 -3.244 1.00 0.29 H new ATOM 0 HG22 THR A 440 -11.968 9.994 -3.443 1.00 0.29 H new ATOM 0 HG23 THR A 440 -11.130 10.532 -1.968 1.00 0.29 H new ATOM 680 N SER A 441 -7.036 8.647 -3.840 1.00 0.13 N ATOM 681 CA SER A 441 -5.824 8.320 -4.578 1.00 0.12 C ATOM 682 C SER A 441 -5.755 6.837 -4.938 1.00 0.11 C ATOM 683 O SER A 441 -6.176 5.981 -4.170 1.00 0.12 O ATOM 684 CB SER A 441 -4.615 8.694 -3.725 1.00 0.13 C ATOM 685 OG SER A 441 -4.570 10.091 -3.488 1.00 0.16 O ATOM 0 H SER A 441 -6.868 8.895 -2.865 1.00 0.13 H new ATOM 0 HA SER A 441 -5.830 8.883 -5.511 1.00 0.12 H new ATOM 0 HB2 SER A 441 -4.658 8.162 -2.775 1.00 0.13 H new ATOM 0 HB3 SER A 441 -3.700 8.377 -4.226 1.00 0.13 H new ATOM 0 HG SER A 441 -3.787 10.304 -2.938 1.00 0.16 H new ATOM 691 N THR A 442 -5.211 6.537 -6.106 1.00 0.10 N ATOM 692 CA THR A 442 -5.040 5.158 -6.526 1.00 0.12 C ATOM 693 C THR A 442 -3.576 4.870 -6.862 1.00 0.13 C ATOM 694 O THR A 442 -3.254 3.850 -7.472 1.00 0.16 O ATOM 695 CB THR A 442 -5.946 4.811 -7.726 1.00 0.13 C ATOM 696 OG1 THR A 442 -5.744 5.753 -8.790 1.00 0.14 O ATOM 697 CG2 THR A 442 -7.414 4.810 -7.312 1.00 0.17 C ATOM 0 H THR A 442 -4.881 7.229 -6.778 1.00 0.10 H new ATOM 0 HA THR A 442 -5.338 4.525 -5.690 1.00 0.12 H new ATOM 0 HB THR A 442 -5.680 3.813 -8.075 1.00 0.13 H new ATOM 0 HG1 THR A 442 -6.323 5.521 -9.546 1.00 0.14 H new ATOM 0 HG21 THR A 442 -8.035 4.563 -8.173 1.00 0.17 H new ATOM 0 HG22 THR A 442 -7.570 4.069 -6.528 1.00 0.17 H new ATOM 0 HG23 THR A 442 -7.687 5.797 -6.939 1.00 0.17 H new ATOM 705 N SER A 443 -2.691 5.771 -6.444 1.00 0.12 N ATOM 706 CA SER A 443 -1.262 5.615 -6.676 1.00 0.15 C ATOM 707 C SER A 443 -0.470 6.404 -5.644 1.00 0.15 C ATOM 708 O SER A 443 -0.834 7.531 -5.299 1.00 0.19 O ATOM 709 CB SER A 443 -0.890 6.061 -8.094 1.00 0.17 C ATOM 710 OG SER A 443 -1.407 7.351 -8.383 1.00 1.08 O ATOM 0 H SER A 443 -2.943 6.621 -5.940 1.00 0.12 H new ATOM 0 HA SER A 443 -1.011 4.559 -6.575 1.00 0.15 H new ATOM 0 HB2 SER A 443 0.195 6.069 -8.202 1.00 0.17 H new ATOM 0 HB3 SER A 443 -1.276 5.342 -8.816 1.00 0.17 H new ATOM 0 HG SER A 443 -1.152 7.609 -9.293 1.00 1.08 H new ATOM 716 N ALA A 444 0.594 5.800 -5.142 1.00 0.14 N ATOM 717 CA ALA A 444 1.430 6.431 -4.134 1.00 0.15 C ATOM 718 C ALA A 444 2.881 6.147 -4.359 1.00 0.16 C ATOM 719 O ALA A 444 3.295 5.012 -4.590 1.00 0.15 O ATOM 720 CB ALA A 444 1.034 5.983 -2.742 1.00 0.16 C ATOM 0 H ALA A 444 0.901 4.867 -5.418 1.00 0.14 H new ATOM 0 HA ALA A 444 1.274 7.506 -4.222 1.00 0.15 H new ATOM 0 HB1 ALA A 444 1.675 6.470 -2.007 1.00 0.16 H new ATOM 0 HB2 ALA A 444 -0.005 6.255 -2.554 1.00 0.16 H new ATOM 0 HB3 ALA A 444 1.146 4.902 -2.662 1.00 0.16 H new ATOM 726 N THR A 445 3.638 7.209 -4.314 1.00 0.24 N ATOM 727 CA THR A 445 5.062 7.126 -4.311 1.00 0.25 C ATOM 728 C THR A 445 5.564 6.862 -2.910 1.00 0.26 C ATOM 729 O THR A 445 5.454 7.696 -2.009 1.00 0.33 O ATOM 730 CB THR A 445 5.648 8.417 -4.859 1.00 0.31 C ATOM 731 OG1 THR A 445 5.299 8.560 -6.247 1.00 0.34 O ATOM 732 CG2 THR A 445 7.164 8.447 -4.689 1.00 0.34 C ATOM 0 H THR A 445 3.275 8.162 -4.278 1.00 0.24 H new ATOM 0 HA THR A 445 5.378 6.300 -4.947 1.00 0.25 H new ATOM 0 HB THR A 445 5.230 9.251 -4.296 1.00 0.31 H new ATOM 0 HG1 THR A 445 5.468 7.716 -6.715 1.00 0.34 H new ATOM 0 HG21 THR A 445 7.557 9.382 -5.090 1.00 0.34 H new ATOM 0 HG22 THR A 445 7.413 8.373 -3.630 1.00 0.34 H new ATOM 0 HG23 THR A 445 7.607 7.608 -5.225 1.00 0.34 H new ATOM 740 N LEU A 446 6.083 5.673 -2.738 1.00 0.22 N ATOM 741 CA LEU A 446 6.531 5.220 -1.436 1.00 0.25 C ATOM 742 C LEU A 446 8.008 5.496 -1.210 1.00 0.24 C ATOM 743 O LEU A 446 8.876 4.770 -1.687 1.00 0.23 O ATOM 744 CB LEU A 446 6.197 3.723 -1.252 1.00 0.25 C ATOM 745 CG LEU A 446 4.858 3.420 -0.538 1.00 0.32 C ATOM 746 CD1 LEU A 446 3.734 4.260 -1.120 1.00 0.65 C ATOM 747 CD2 LEU A 446 4.517 1.939 -0.655 1.00 0.59 C ATOM 0 H LEU A 446 6.208 4.992 -3.487 1.00 0.22 H new ATOM 0 HA LEU A 446 5.994 5.791 -0.678 1.00 0.25 H new ATOM 0 HB2 LEU A 446 6.180 3.250 -2.234 1.00 0.25 H new ATOM 0 HB3 LEU A 446 7.003 3.256 -0.687 1.00 0.25 H new ATOM 0 HG LEU A 446 4.970 3.675 0.516 1.00 0.32 H new ATOM 0 HD11 LEU A 446 2.803 4.030 -0.603 1.00 0.65 H new ATOM 0 HD12 LEU A 446 3.967 5.317 -0.994 1.00 0.65 H new ATOM 0 HD13 LEU A 446 3.624 4.036 -2.181 1.00 0.65 H new ATOM 0 HD21 LEU A 446 3.573 1.742 -0.148 1.00 0.59 H new ATOM 0 HD22 LEU A 446 4.427 1.668 -1.707 1.00 0.59 H new ATOM 0 HD23 LEU A 446 5.307 1.346 -0.194 1.00 0.59 H new ATOM 759 N THR A 447 8.268 6.557 -0.463 1.00 0.30 N ATOM 760 CA THR A 447 9.621 6.996 -0.161 1.00 0.30 C ATOM 761 C THR A 447 10.195 6.297 1.059 1.00 0.29 C ATOM 762 O THR A 447 9.593 6.293 2.131 1.00 0.36 O ATOM 763 CB THR A 447 9.642 8.505 0.116 1.00 0.39 C ATOM 764 OG1 THR A 447 8.404 8.912 0.712 1.00 0.86 O ATOM 765 CG2 THR A 447 9.899 9.294 -1.145 1.00 0.60 C ATOM 0 H THR A 447 7.543 7.141 -0.047 1.00 0.30 H new ATOM 0 HA THR A 447 10.226 6.747 -1.033 1.00 0.30 H new ATOM 0 HB THR A 447 10.459 8.709 0.809 1.00 0.39 H new ATOM 0 HG1 THR A 447 8.427 9.876 0.887 1.00 0.86 H new ATOM 0 HG21 THR A 447 9.907 10.359 -0.913 1.00 0.60 H new ATOM 0 HG22 THR A 447 10.863 9.006 -1.564 1.00 0.60 H new ATOM 0 HG23 THR A 447 9.112 9.087 -1.870 1.00 0.60 H new ATOM 773 N GLY A 448 11.350 5.694 0.883 1.00 0.30 N ATOM 774 CA GLY A 448 12.142 5.290 2.022 1.00 0.38 C ATOM 775 C GLY A 448 12.220 3.796 2.223 1.00 0.30 C ATOM 776 O GLY A 448 12.772 3.337 3.220 1.00 0.38 O ATOM 0 H GLY A 448 11.757 5.475 -0.026 1.00 0.30 H new ATOM 0 HA2 GLY A 448 13.152 5.683 1.906 1.00 0.38 H new ATOM 0 HA3 GLY A 448 11.725 5.745 2.920 1.00 0.38 H new ATOM 780 N LEU A 449 11.663 3.025 1.299 1.00 0.28 N ATOM 781 CA LEU A 449 11.913 1.603 1.275 1.00 0.25 C ATOM 782 C LEU A 449 13.398 1.353 1.066 1.00 0.25 C ATOM 783 O LEU A 449 13.994 1.852 0.107 1.00 0.34 O ATOM 784 CB LEU A 449 11.099 0.931 0.174 1.00 0.24 C ATOM 785 CG LEU A 449 9.587 1.070 0.309 1.00 0.21 C ATOM 786 CD1 LEU A 449 8.894 0.535 -0.928 1.00 0.27 C ATOM 787 CD2 LEU A 449 9.105 0.320 1.530 1.00 0.23 C ATOM 0 H LEU A 449 11.041 3.363 0.565 1.00 0.28 H new ATOM 0 HA LEU A 449 11.607 1.173 2.229 1.00 0.25 H new ATOM 0 HB2 LEU A 449 11.402 1.348 -0.786 1.00 0.24 H new ATOM 0 HB3 LEU A 449 11.350 -0.129 0.154 1.00 0.24 H new ATOM 0 HG LEU A 449 9.344 2.127 0.418 1.00 0.21 H new ATOM 0 HD11 LEU A 449 7.815 0.642 -0.815 1.00 0.27 H new ATOM 0 HD12 LEU A 449 9.225 1.096 -1.802 1.00 0.27 H new ATOM 0 HD13 LEU A 449 9.143 -0.518 -1.058 1.00 0.27 H new ATOM 0 HD21 LEU A 449 8.024 0.425 1.618 1.00 0.23 H new ATOM 0 HD22 LEU A 449 9.360 -0.735 1.433 1.00 0.23 H new ATOM 0 HD23 LEU A 449 9.583 0.729 2.420 1.00 0.23 H new ATOM 799 N THR A 450 13.995 0.617 1.986 1.00 0.22 N ATOM 800 CA THR A 450 15.419 0.348 1.944 1.00 0.23 C ATOM 801 C THR A 450 15.766 -0.560 0.793 1.00 0.22 C ATOM 802 O THR A 450 15.417 -1.741 0.752 1.00 0.38 O ATOM 803 CB THR A 450 15.901 -0.277 3.264 1.00 0.27 C ATOM 804 OG1 THR A 450 15.575 0.586 4.360 1.00 0.32 O ATOM 805 CG2 THR A 450 17.401 -0.541 3.252 1.00 0.34 C ATOM 0 H THR A 450 13.510 0.192 2.777 1.00 0.22 H new ATOM 0 HA THR A 450 15.927 1.302 1.801 1.00 0.23 H new ATOM 0 HB THR A 450 15.392 -1.234 3.380 1.00 0.27 H new ATOM 0 HG1 THR A 450 15.883 0.181 5.198 1.00 0.32 H new ATOM 0 HG21 THR A 450 17.700 -0.982 4.203 1.00 0.34 H new ATOM 0 HG22 THR A 450 17.643 -1.228 2.441 1.00 0.34 H new ATOM 0 HG23 THR A 450 17.935 0.398 3.104 1.00 0.34 H new ATOM 813 N ARG A 451 16.421 0.048 -0.153 1.00 0.29 N ATOM 814 CA ARG A 451 16.958 -0.636 -1.300 1.00 0.26 C ATOM 815 C ARG A 451 17.875 -1.772 -0.908 1.00 0.26 C ATOM 816 O ARG A 451 18.740 -1.647 -0.042 1.00 0.30 O ATOM 817 CB ARG A 451 17.653 0.363 -2.203 1.00 0.31 C ATOM 818 CG ARG A 451 18.763 1.109 -1.515 1.00 0.32 C ATOM 819 CD ARG A 451 19.235 2.263 -2.357 1.00 0.43 C ATOM 820 NE ARG A 451 19.879 1.807 -3.593 1.00 1.32 N ATOM 821 CZ ARG A 451 20.100 2.579 -4.661 1.00 1.75 C ATOM 822 NH1 ARG A 451 19.729 3.853 -4.657 1.00 1.39 N ATOM 823 NH2 ARG A 451 20.692 2.071 -5.735 1.00 2.70 N ATOM 0 H ARG A 451 16.602 1.052 -0.152 1.00 0.29 H new ATOM 0 HA ARG A 451 16.134 -1.092 -1.848 1.00 0.26 H new ATOM 0 HB2 ARG A 451 18.058 -0.160 -3.070 1.00 0.31 H new ATOM 0 HB3 ARG A 451 16.920 1.078 -2.576 1.00 0.31 H new ATOM 0 HG2 ARG A 451 18.416 1.476 -0.549 1.00 0.32 H new ATOM 0 HG3 ARG A 451 19.595 0.432 -1.319 1.00 0.32 H new ATOM 0 HD2 ARG A 451 18.388 2.904 -2.603 1.00 0.43 H new ATOM 0 HD3 ARG A 451 19.937 2.869 -1.783 1.00 0.43 H new ATOM 0 HE ARG A 451 20.179 0.833 -3.641 1.00 1.32 H new ATOM 0 HH11 ARG A 451 19.272 4.249 -3.835 1.00 1.39 H new ATOM 0 HH12 ARG A 451 19.901 4.437 -5.476 1.00 1.39 H new ATOM 0 HH21 ARG A 451 20.978 1.092 -5.745 1.00 2.70 H new ATOM 0 HH22 ARG A 451 20.861 2.660 -6.551 1.00 2.70 H new ATOM 837 N GLY A 452 17.635 -2.891 -1.553 1.00 0.28 N ATOM 838 CA GLY A 452 18.347 -4.096 -1.262 1.00 0.34 C ATOM 839 C GLY A 452 17.540 -5.015 -0.376 1.00 0.32 C ATOM 840 O GLY A 452 17.807 -6.216 -0.289 1.00 0.41 O ATOM 0 H GLY A 452 16.939 -2.982 -2.293 1.00 0.28 H new ATOM 0 HA2 GLY A 452 18.592 -4.609 -2.192 1.00 0.34 H new ATOM 0 HA3 GLY A 452 19.291 -3.853 -0.773 1.00 0.34 H new ATOM 844 N ALA A 453 16.541 -4.444 0.276 1.00 0.32 N ATOM 845 CA ALA A 453 15.647 -5.200 1.128 1.00 0.31 C ATOM 846 C ALA A 453 14.365 -5.496 0.399 1.00 0.27 C ATOM 847 O ALA A 453 14.068 -4.927 -0.655 1.00 0.35 O ATOM 848 CB ALA A 453 15.374 -4.448 2.424 1.00 0.32 C ATOM 0 H ALA A 453 16.330 -3.447 0.228 1.00 0.32 H new ATOM 0 HA ALA A 453 16.125 -6.145 1.384 1.00 0.31 H new ATOM 0 HB1 ALA A 453 14.700 -5.034 3.049 1.00 0.32 H new ATOM 0 HB2 ALA A 453 16.312 -4.285 2.955 1.00 0.32 H new ATOM 0 HB3 ALA A 453 14.914 -3.486 2.197 1.00 0.32 H new ATOM 854 N THR A 454 13.632 -6.400 0.974 1.00 0.23 N ATOM 855 CA THR A 454 12.446 -6.929 0.375 1.00 0.21 C ATOM 856 C THR A 454 11.229 -6.521 1.195 1.00 0.17 C ATOM 857 O THR A 454 11.263 -6.568 2.419 1.00 0.19 O ATOM 858 CB THR A 454 12.585 -8.448 0.319 1.00 0.22 C ATOM 859 OG1 THR A 454 13.644 -8.818 -0.563 1.00 0.29 O ATOM 860 CG2 THR A 454 11.303 -9.110 -0.152 1.00 0.24 C ATOM 0 H THR A 454 13.846 -6.797 1.889 1.00 0.23 H new ATOM 0 HA THR A 454 12.313 -6.537 -0.634 1.00 0.21 H new ATOM 0 HB THR A 454 12.805 -8.788 1.331 1.00 0.22 H new ATOM 0 HG1 THR A 454 13.359 -8.683 -1.491 1.00 0.29 H new ATOM 0 HG21 THR A 454 11.440 -10.191 -0.179 1.00 0.24 H new ATOM 0 HG22 THR A 454 10.493 -8.864 0.535 1.00 0.24 H new ATOM 0 HG23 THR A 454 11.054 -8.751 -1.150 1.00 0.24 H new ATOM 868 N TYR A 455 10.173 -6.091 0.525 1.00 0.16 N ATOM 869 CA TYR A 455 8.983 -5.615 1.208 1.00 0.16 C ATOM 870 C TYR A 455 7.724 -6.229 0.619 1.00 0.13 C ATOM 871 O TYR A 455 7.432 -6.045 -0.561 1.00 0.15 O ATOM 872 CB TYR A 455 8.900 -4.090 1.116 1.00 0.23 C ATOM 873 CG TYR A 455 9.998 -3.371 1.872 1.00 0.22 C ATOM 874 CD1 TYR A 455 9.885 -3.129 3.236 1.00 0.20 C ATOM 875 CD2 TYR A 455 11.147 -2.937 1.221 1.00 0.28 C ATOM 876 CE1 TYR A 455 10.886 -2.475 3.928 1.00 0.22 C ATOM 877 CE2 TYR A 455 12.150 -2.284 1.908 1.00 0.30 C ATOM 878 CZ TYR A 455 12.016 -2.056 3.259 1.00 0.26 C ATOM 879 OH TYR A 455 13.013 -1.399 3.942 1.00 0.29 O ATOM 0 H TYR A 455 10.116 -6.062 -0.493 1.00 0.16 H new ATOM 0 HA TYR A 455 9.055 -5.917 2.253 1.00 0.16 H new ATOM 0 HB2 TYR A 455 8.941 -3.796 0.067 1.00 0.23 H new ATOM 0 HB3 TYR A 455 7.934 -3.764 1.501 1.00 0.23 H new ATOM 0 HD1 TYR A 455 9.001 -3.457 3.763 1.00 0.20 H new ATOM 0 HD2 TYR A 455 11.256 -3.114 0.161 1.00 0.28 H new ATOM 0 HE1 TYR A 455 10.784 -2.293 4.988 1.00 0.22 H new ATOM 0 HE2 TYR A 455 13.037 -1.953 1.388 1.00 0.30 H new ATOM 0 HH TYR A 455 13.371 -1.985 4.641 1.00 0.29 H new ATOM 889 N ASN A 456 6.990 -6.967 1.440 1.00 0.12 N ATOM 890 CA ASN A 456 5.685 -7.464 1.046 1.00 0.12 C ATOM 891 C ASN A 456 4.679 -6.352 1.235 1.00 0.13 C ATOM 892 O ASN A 456 4.222 -6.072 2.347 1.00 0.15 O ATOM 893 CB ASN A 456 5.298 -8.721 1.840 1.00 0.14 C ATOM 894 CG ASN A 456 4.098 -9.452 1.226 1.00 0.17 C ATOM 895 OD1 ASN A 456 3.797 -9.267 0.048 1.00 0.17 O ATOM 896 ND2 ASN A 456 3.421 -10.317 1.990 1.00 0.20 N ATOM 0 H ASN A 456 7.278 -7.233 2.382 1.00 0.12 H new ATOM 0 HA ASN A 456 5.706 -7.762 -0.002 1.00 0.12 H new ATOM 0 HB2 ASN A 456 6.151 -9.399 1.881 1.00 0.14 H new ATOM 0 HB3 ASN A 456 5.063 -8.441 2.867 1.00 0.14 H new ATOM 0 HD21 ASN A 456 2.637 -10.839 1.598 1.00 0.20 H new ATOM 0 HD22 ASN A 456 3.688 -10.454 2.965 1.00 0.20 H new ATOM 903 N ILE A 457 4.383 -5.700 0.130 1.00 0.13 N ATOM 904 CA ILE A 457 3.576 -4.505 0.114 1.00 0.14 C ATOM 905 C ILE A 457 2.098 -4.853 0.055 1.00 0.14 C ATOM 906 O ILE A 457 1.599 -5.369 -0.945 1.00 0.18 O ATOM 907 CB ILE A 457 3.970 -3.622 -1.088 1.00 0.16 C ATOM 908 CG1 ILE A 457 5.378 -3.047 -0.886 1.00 0.19 C ATOM 909 CG2 ILE A 457 2.956 -2.502 -1.300 1.00 0.18 C ATOM 910 CD1 ILE A 457 5.853 -2.173 -2.028 1.00 0.22 C ATOM 0 H ILE A 457 4.702 -5.992 -0.794 1.00 0.13 H new ATOM 0 HA ILE A 457 3.756 -3.951 1.035 1.00 0.14 H new ATOM 0 HB ILE A 457 3.973 -4.244 -1.983 1.00 0.16 H new ATOM 0 HG12 ILE A 457 5.393 -2.465 0.035 1.00 0.19 H new ATOM 0 HG13 ILE A 457 6.081 -3.870 -0.755 1.00 0.19 H new ATOM 0 HG21 ILE A 457 3.258 -1.895 -2.153 1.00 0.18 H new ATOM 0 HG22 ILE A 457 1.973 -2.932 -1.491 1.00 0.18 H new ATOM 0 HG23 ILE A 457 2.912 -1.877 -0.408 1.00 0.18 H new ATOM 0 HD11 ILE A 457 6.856 -1.804 -1.811 1.00 0.22 H new ATOM 0 HD12 ILE A 457 5.872 -2.756 -2.949 1.00 0.22 H new ATOM 0 HD13 ILE A 457 5.174 -1.329 -2.147 1.00 0.22 H new ATOM 922 N ILE A 458 1.411 -4.585 1.148 1.00 0.16 N ATOM 923 CA ILE A 458 -0.004 -4.871 1.258 1.00 0.18 C ATOM 924 C ILE A 458 -0.789 -3.584 1.439 1.00 0.20 C ATOM 925 O ILE A 458 -0.447 -2.758 2.275 1.00 0.29 O ATOM 926 CB ILE A 458 -0.269 -5.836 2.425 1.00 0.22 C ATOM 927 CG1 ILE A 458 0.298 -7.205 2.079 1.00 0.21 C ATOM 928 CG2 ILE A 458 -1.751 -5.935 2.728 1.00 0.29 C ATOM 929 CD1 ILE A 458 0.186 -8.207 3.193 1.00 0.27 C ATOM 0 H ILE A 458 1.818 -4.164 1.983 1.00 0.16 H new ATOM 0 HA ILE A 458 -0.335 -5.350 0.337 1.00 0.18 H new ATOM 0 HB ILE A 458 0.223 -5.453 3.319 1.00 0.22 H new ATOM 0 HG12 ILE A 458 -0.221 -7.592 1.202 1.00 0.21 H new ATOM 0 HG13 ILE A 458 1.348 -7.095 1.806 1.00 0.21 H new ATOM 0 HG21 ILE A 458 -1.907 -6.624 3.558 1.00 0.29 H new ATOM 0 HG22 ILE A 458 -2.134 -4.951 2.997 1.00 0.29 H new ATOM 0 HG23 ILE A 458 -2.279 -6.301 1.847 1.00 0.29 H new ATOM 0 HD11 ILE A 458 0.611 -9.158 2.871 1.00 0.27 H new ATOM 0 HD12 ILE A 458 0.729 -7.843 4.065 1.00 0.27 H new ATOM 0 HD13 ILE A 458 -0.863 -8.348 3.452 1.00 0.27 H new ATOM 941 N VAL A 459 -1.833 -3.408 0.653 1.00 0.17 N ATOM 942 CA VAL A 459 -2.598 -2.180 0.677 1.00 0.18 C ATOM 943 C VAL A 459 -3.978 -2.447 1.239 1.00 0.18 C ATOM 944 O VAL A 459 -4.721 -3.271 0.705 1.00 0.23 O ATOM 945 CB VAL A 459 -2.729 -1.566 -0.731 1.00 0.19 C ATOM 946 CG1 VAL A 459 -3.354 -0.184 -0.664 1.00 0.20 C ATOM 947 CG2 VAL A 459 -1.381 -1.520 -1.438 1.00 0.20 C ATOM 0 H VAL A 459 -2.171 -4.104 -0.012 1.00 0.17 H new ATOM 0 HA VAL A 459 -2.067 -1.469 1.311 1.00 0.18 H new ATOM 0 HB VAL A 459 -3.390 -2.207 -1.314 1.00 0.19 H new ATOM 0 HG11 VAL A 459 -3.435 0.228 -1.670 1.00 0.20 H new ATOM 0 HG12 VAL A 459 -4.347 -0.255 -0.219 1.00 0.20 H new ATOM 0 HG13 VAL A 459 -2.729 0.469 -0.054 1.00 0.20 H new ATOM 0 HG21 VAL A 459 -1.504 -1.082 -2.429 1.00 0.20 H new ATOM 0 HG22 VAL A 459 -0.686 -0.913 -0.857 1.00 0.20 H new ATOM 0 HG23 VAL A 459 -0.986 -2.531 -1.535 1.00 0.20 H new ATOM 957 N GLU A 460 -4.309 -1.771 2.323 1.00 0.18 N ATOM 958 CA GLU A 460 -5.598 -1.950 2.962 1.00 0.22 C ATOM 959 C GLU A 460 -6.391 -0.656 2.926 1.00 0.21 C ATOM 960 O GLU A 460 -5.872 0.420 3.229 1.00 0.30 O ATOM 961 CB GLU A 460 -5.429 -2.423 4.402 1.00 0.30 C ATOM 962 CG GLU A 460 -4.763 -3.786 4.531 1.00 0.36 C ATOM 963 CD GLU A 460 -4.643 -4.242 5.970 1.00 0.60 C ATOM 964 OE1 GLU A 460 -3.875 -3.621 6.736 1.00 0.79 O ATOM 965 OE2 GLU A 460 -5.307 -5.231 6.345 1.00 0.82 O ATOM 0 H GLU A 460 -3.701 -1.091 2.780 1.00 0.18 H new ATOM 0 HA GLU A 460 -6.146 -2.714 2.411 1.00 0.22 H new ATOM 0 HB2 GLU A 460 -4.838 -1.688 4.948 1.00 0.30 H new ATOM 0 HB3 GLU A 460 -6.409 -2.462 4.878 1.00 0.30 H new ATOM 0 HG2 GLU A 460 -5.337 -4.521 3.967 1.00 0.36 H new ATOM 0 HG3 GLU A 460 -3.770 -3.745 4.083 1.00 0.36 H new ATOM 972 N ALA A 461 -7.647 -0.771 2.550 1.00 0.16 N ATOM 973 CA ALA A 461 -8.513 0.383 2.400 1.00 0.15 C ATOM 974 C ALA A 461 -9.306 0.669 3.654 1.00 0.14 C ATOM 975 O ALA A 461 -10.020 -0.197 4.158 1.00 0.17 O ATOM 976 CB ALA A 461 -9.459 0.168 1.238 1.00 0.16 C ATOM 0 H ALA A 461 -8.097 -1.662 2.340 1.00 0.16 H new ATOM 0 HA ALA A 461 -7.875 1.246 2.209 1.00 0.15 H new ATOM 0 HB1 ALA A 461 -10.107 1.038 1.130 1.00 0.16 H new ATOM 0 HB2 ALA A 461 -8.885 0.028 0.322 1.00 0.16 H new ATOM 0 HB3 ALA A 461 -10.068 -0.717 1.423 1.00 0.16 H new ATOM 982 N LEU A 462 -9.182 1.890 4.142 1.00 0.16 N ATOM 983 CA LEU A 462 -9.975 2.348 5.261 1.00 0.20 C ATOM 984 C LEU A 462 -11.298 2.876 4.716 1.00 0.22 C ATOM 985 O LEU A 462 -11.372 4.000 4.214 1.00 0.24 O ATOM 986 CB LEU A 462 -9.234 3.449 6.038 1.00 0.25 C ATOM 987 CG LEU A 462 -9.739 3.713 7.464 1.00 0.34 C ATOM 988 CD1 LEU A 462 -10.148 2.421 8.162 1.00 0.85 C ATOM 989 CD2 LEU A 462 -8.656 4.405 8.269 1.00 0.78 C ATOM 0 H LEU A 462 -8.533 2.585 3.775 1.00 0.16 H new ATOM 0 HA LEU A 462 -10.155 1.525 5.952 1.00 0.20 H new ATOM 0 HB2 LEU A 462 -8.178 3.184 6.090 1.00 0.25 H new ATOM 0 HB3 LEU A 462 -9.302 4.377 5.471 1.00 0.25 H new ATOM 0 HG LEU A 462 -10.619 4.353 7.396 1.00 0.34 H new ATOM 0 HD11 LEU A 462 -10.500 2.647 9.169 1.00 0.85 H new ATOM 0 HD12 LEU A 462 -10.947 1.940 7.598 1.00 0.85 H new ATOM 0 HD13 LEU A 462 -9.290 1.751 8.219 1.00 0.85 H new ATOM 0 HD21 LEU A 462 -9.017 4.591 9.280 1.00 0.78 H new ATOM 0 HD22 LEU A 462 -7.771 3.769 8.311 1.00 0.78 H new ATOM 0 HD23 LEU A 462 -8.400 5.353 7.795 1.00 0.78 H new ATOM 1001 N LYS A 463 -12.328 2.057 4.793 1.00 0.23 N ATOM 1002 CA LYS A 463 -13.608 2.372 4.190 1.00 0.30 C ATOM 1003 C LYS A 463 -14.681 2.154 5.236 1.00 0.40 C ATOM 1004 O LYS A 463 -15.188 1.040 5.387 1.00 0.50 O ATOM 1005 CB LYS A 463 -13.844 1.475 2.962 1.00 0.31 C ATOM 1006 CG LYS A 463 -15.091 1.816 2.144 1.00 0.38 C ATOM 1007 CD LYS A 463 -14.882 3.004 1.233 1.00 0.42 C ATOM 1008 CE LYS A 463 -16.213 3.551 0.753 1.00 0.95 C ATOM 1009 NZ LYS A 463 -17.088 3.962 1.884 1.00 1.62 N ATOM 0 H LYS A 463 -12.302 1.158 5.273 1.00 0.23 H new ATOM 0 HA LYS A 463 -13.631 3.408 3.851 1.00 0.30 H new ATOM 0 HB2 LYS A 463 -12.972 1.539 2.311 1.00 0.31 H new ATOM 0 HB3 LYS A 463 -13.918 0.440 3.295 1.00 0.31 H new ATOM 0 HG2 LYS A 463 -15.377 0.950 1.546 1.00 0.38 H new ATOM 0 HG3 LYS A 463 -15.920 2.023 2.821 1.00 0.38 H new ATOM 0 HD2 LYS A 463 -14.333 3.783 1.762 1.00 0.42 H new ATOM 0 HD3 LYS A 463 -14.274 2.710 0.377 1.00 0.42 H new ATOM 0 HE2 LYS A 463 -16.039 4.406 0.100 1.00 0.95 H new ATOM 0 HE3 LYS A 463 -16.722 2.794 0.157 1.00 0.95 H new ATOM 0 HZ1 LYS A 463 -17.835 4.595 1.533 1.00 1.62 H new ATOM 0 HZ2 LYS A 463 -17.522 3.119 2.312 1.00 1.62 H new ATOM 0 HZ3 LYS A 463 -16.520 4.460 2.599 1.00 1.62 H new ATOM 1023 N ASP A 464 -14.967 3.206 6.003 1.00 0.58 N ATOM 1024 CA ASP A 464 -16.002 3.137 7.063 1.00 0.61 C ATOM 1025 C ASP A 464 -15.550 2.273 8.226 1.00 0.51 C ATOM 1026 O ASP A 464 -16.069 1.170 8.437 1.00 0.53 O ATOM 1027 CB ASP A 464 -17.337 2.584 6.580 1.00 0.72 C ATOM 1028 CG ASP A 464 -17.944 3.372 5.432 1.00 1.08 C ATOM 1029 OD1 ASP A 464 -17.927 2.867 4.287 1.00 1.85 O ATOM 1030 OD2 ASP A 464 -18.430 4.504 5.662 1.00 1.15 O ATOM 0 H ASP A 464 -14.508 4.113 5.920 1.00 0.58 H new ATOM 0 HA ASP A 464 -16.142 4.173 7.373 1.00 0.61 H new ATOM 0 HB2 ASP A 464 -17.200 1.549 6.266 1.00 0.72 H new ATOM 0 HB3 ASP A 464 -18.039 2.574 7.414 1.00 0.72 H new ATOM 1035 N GLN A 465 -14.590 2.790 8.967 1.00 0.52 N ATOM 1036 CA GLN A 465 -14.044 2.152 10.164 1.00 0.49 C ATOM 1037 C GLN A 465 -13.290 0.854 9.866 1.00 0.44 C ATOM 1038 O GLN A 465 -12.539 0.367 10.708 1.00 0.66 O ATOM 1039 CB GLN A 465 -15.147 1.878 11.190 1.00 0.56 C ATOM 1040 CG GLN A 465 -15.919 3.119 11.594 1.00 0.67 C ATOM 1041 CD GLN A 465 -16.970 2.832 12.650 1.00 0.78 C ATOM 1042 OE1 GLN A 465 -16.812 1.928 13.473 1.00 1.32 O ATOM 1043 NE2 GLN A 465 -18.050 3.589 12.629 1.00 1.39 N ATOM 0 H GLN A 465 -14.153 3.687 8.754 1.00 0.52 H new ATOM 0 HA GLN A 465 -13.324 2.860 10.575 1.00 0.49 H new ATOM 0 HB2 GLN A 465 -15.841 1.146 10.778 1.00 0.56 H new ATOM 0 HB3 GLN A 465 -14.702 1.431 12.079 1.00 0.56 H new ATOM 0 HG2 GLN A 465 -15.224 3.868 11.972 1.00 0.67 H new ATOM 0 HG3 GLN A 465 -16.400 3.546 10.714 1.00 0.67 H new ATOM 0 HE21 GLN A 465 -18.142 4.327 11.931 1.00 1.39 H new ATOM 0 HE22 GLN A 465 -18.793 3.436 13.311 1.00 1.39 H new ATOM 1052 N GLN A 466 -13.484 0.292 8.684 1.00 0.36 N ATOM 1053 CA GLN A 466 -12.933 -1.015 8.371 1.00 0.36 C ATOM 1054 C GLN A 466 -11.848 -0.945 7.326 1.00 0.28 C ATOM 1055 O GLN A 466 -11.740 0.023 6.576 1.00 0.29 O ATOM 1056 CB GLN A 466 -14.044 -1.933 7.889 1.00 0.54 C ATOM 1057 CG GLN A 466 -15.093 -2.184 8.941 1.00 1.20 C ATOM 1058 CD GLN A 466 -16.401 -2.672 8.361 1.00 1.42 C ATOM 1059 OE1 GLN A 466 -16.623 -3.875 8.215 1.00 1.60 O ATOM 1060 NE2 GLN A 466 -17.276 -1.740 8.018 1.00 2.13 N ATOM 0 H GLN A 466 -14.018 0.720 7.927 1.00 0.36 H new ATOM 0 HA GLN A 466 -12.484 -1.408 9.283 1.00 0.36 H new ATOM 0 HB2 GLN A 466 -14.516 -1.494 7.010 1.00 0.54 H new ATOM 0 HB3 GLN A 466 -13.613 -2.885 7.578 1.00 0.54 H new ATOM 0 HG2 GLN A 466 -14.719 -2.921 9.652 1.00 1.20 H new ATOM 0 HG3 GLN A 466 -15.269 -1.264 9.499 1.00 1.20 H new ATOM 0 HE21 GLN A 466 -17.052 -0.755 8.156 1.00 2.13 H new ATOM 0 HE22 GLN A 466 -18.174 -2.007 7.616 1.00 2.13 H new ATOM 1069 N ARG A 467 -11.066 -2.003 7.279 1.00 0.33 N ATOM 1070 CA ARG A 467 -9.950 -2.104 6.360 1.00 0.30 C ATOM 1071 C ARG A 467 -10.091 -3.348 5.501 1.00 0.33 C ATOM 1072 O ARG A 467 -10.372 -4.433 6.008 1.00 0.51 O ATOM 1073 CB ARG A 467 -8.637 -2.147 7.133 1.00 0.36 C ATOM 1074 CG ARG A 467 -8.372 -0.895 7.948 1.00 0.34 C ATOM 1075 CD ARG A 467 -7.255 -1.134 8.937 1.00 0.43 C ATOM 1076 NE ARG A 467 -6.905 0.061 9.705 1.00 1.24 N ATOM 1077 CZ ARG A 467 -5.739 0.223 10.334 1.00 1.67 C ATOM 1078 NH1 ARG A 467 -4.806 -0.720 10.266 1.00 1.51 N ATOM 1079 NH2 ARG A 467 -5.506 1.328 11.027 1.00 2.58 N ATOM 0 H ARG A 467 -11.186 -2.820 7.878 1.00 0.33 H new ATOM 0 HA ARG A 467 -9.948 -1.228 5.712 1.00 0.30 H new ATOM 0 HB2 ARG A 467 -8.645 -3.010 7.799 1.00 0.36 H new ATOM 0 HB3 ARG A 467 -7.816 -2.294 6.431 1.00 0.36 H new ATOM 0 HG2 ARG A 467 -8.108 -0.071 7.285 1.00 0.34 H new ATOM 0 HG3 ARG A 467 -9.278 -0.600 8.478 1.00 0.34 H new ATOM 0 HD2 ARG A 467 -7.549 -1.927 9.624 1.00 0.43 H new ATOM 0 HD3 ARG A 467 -6.373 -1.487 8.402 1.00 0.43 H new ATOM 0 HE ARG A 467 -7.591 0.813 9.763 1.00 1.24 H new ATOM 0 HH11 ARG A 467 -4.979 -1.571 9.732 1.00 1.51 H new ATOM 0 HH12 ARG A 467 -3.916 -0.593 10.748 1.00 1.51 H new ATOM 0 HH21 ARG A 467 -6.218 2.056 11.080 1.00 2.58 H new ATOM 0 HH22 ARG A 467 -4.614 1.450 11.507 1.00 2.58 H new ATOM 1093 N HIS A 468 -9.923 -3.178 4.204 1.00 0.28 N ATOM 1094 CA HIS A 468 -10.066 -4.284 3.262 1.00 0.32 C ATOM 1095 C HIS A 468 -8.805 -4.434 2.386 1.00 0.24 C ATOM 1096 O HIS A 468 -8.295 -3.433 1.881 1.00 0.27 O ATOM 1097 CB HIS A 468 -11.290 -4.048 2.366 1.00 0.44 C ATOM 1098 CG HIS A 468 -12.576 -3.871 3.120 1.00 0.75 C ATOM 1099 ND1 HIS A 468 -13.231 -4.903 3.752 1.00 1.02 N ATOM 1100 CD2 HIS A 468 -13.326 -2.764 3.338 1.00 1.01 C ATOM 1101 CE1 HIS A 468 -14.327 -4.442 4.323 1.00 1.26 C ATOM 1102 NE2 HIS A 468 -14.410 -3.145 4.091 1.00 1.25 N ATOM 0 H HIS A 468 -9.687 -2.285 3.772 1.00 0.28 H new ATOM 0 HA HIS A 468 -10.199 -5.203 3.833 1.00 0.32 H new ATOM 0 HB2 HIS A 468 -11.115 -3.162 1.755 1.00 0.44 H new ATOM 0 HB3 HIS A 468 -11.395 -4.891 1.683 1.00 0.44 H new ATOM 0 HD2 HIS A 468 -13.111 -1.766 2.985 1.00 1.01 H new ATOM 0 HE1 HIS A 468 -15.038 -5.028 4.886 1.00 1.26 H new ATOM 0 HE2 HIS A 468 -15.155 -2.529 4.417 1.00 1.25 H new ATOM 1111 N LYS A 469 -8.284 -5.671 2.243 1.00 0.27 N ATOM 1112 CA LYS A 469 -7.181 -5.959 1.272 1.00 0.40 C ATOM 1113 C LYS A 469 -7.538 -5.437 -0.115 1.00 0.29 C ATOM 1114 O LYS A 469 -8.550 -5.830 -0.702 1.00 0.37 O ATOM 1115 CB LYS A 469 -6.855 -7.464 1.121 1.00 0.80 C ATOM 1116 CG LYS A 469 -5.835 -7.760 0.026 1.00 0.70 C ATOM 1117 CD LYS A 469 -4.400 -7.424 0.420 1.00 0.70 C ATOM 1118 CE LYS A 469 -3.827 -8.424 1.421 1.00 0.41 C ATOM 1119 NZ LYS A 469 -4.037 -9.836 0.999 1.00 0.84 N ATOM 0 H LYS A 469 -8.597 -6.483 2.775 1.00 0.27 H new ATOM 0 HA LYS A 469 -6.307 -5.455 1.685 1.00 0.40 H new ATOM 0 HB2 LYS A 469 -6.477 -7.842 2.071 1.00 0.80 H new ATOM 0 HB3 LYS A 469 -7.775 -8.007 0.905 1.00 0.80 H new ATOM 0 HG2 LYS A 469 -5.893 -8.816 -0.237 1.00 0.70 H new ATOM 0 HG3 LYS A 469 -6.099 -7.194 -0.868 1.00 0.70 H new ATOM 0 HD2 LYS A 469 -3.775 -7.407 -0.473 1.00 0.70 H new ATOM 0 HD3 LYS A 469 -4.368 -6.423 0.850 1.00 0.70 H new ATOM 0 HE2 LYS A 469 -2.760 -8.240 1.544 1.00 0.41 H new ATOM 0 HE3 LYS A 469 -4.292 -8.266 2.394 1.00 0.41 H new ATOM 0 HZ1 LYS A 469 -3.180 -10.390 1.200 1.00 0.84 H new ATOM 0 HZ2 LYS A 469 -4.840 -10.239 1.522 1.00 0.84 H new ATOM 0 HZ3 LYS A 469 -4.238 -9.867 -0.021 1.00 0.84 H new ATOM 1133 N VAL A 470 -6.698 -4.561 -0.625 1.00 0.23 N ATOM 1134 CA VAL A 470 -6.842 -4.044 -1.971 1.00 0.18 C ATOM 1135 C VAL A 470 -5.814 -4.677 -2.882 1.00 0.18 C ATOM 1136 O VAL A 470 -6.141 -5.231 -3.931 1.00 0.29 O ATOM 1137 CB VAL A 470 -6.633 -2.530 -1.987 1.00 0.22 C ATOM 1138 CG1 VAL A 470 -6.942 -1.943 -3.356 1.00 0.61 C ATOM 1139 CG2 VAL A 470 -7.468 -1.896 -0.896 1.00 0.59 C ATOM 0 H VAL A 470 -5.896 -4.187 -0.119 1.00 0.23 H new ATOM 0 HA VAL A 470 -7.848 -4.280 -2.318 1.00 0.18 H new ATOM 0 HB VAL A 470 -5.584 -2.312 -1.789 1.00 0.22 H new ATOM 0 HG11 VAL A 470 -6.784 -0.865 -3.334 1.00 0.61 H new ATOM 0 HG12 VAL A 470 -6.284 -2.391 -4.101 1.00 0.61 H new ATOM 0 HG13 VAL A 470 -7.980 -2.152 -3.616 1.00 0.61 H new ATOM 0 HG21 VAL A 470 -7.320 -0.816 -0.906 1.00 0.59 H new ATOM 0 HG22 VAL A 470 -8.521 -2.120 -1.067 1.00 0.59 H new ATOM 0 HG23 VAL A 470 -7.165 -2.295 0.072 1.00 0.59 H new ATOM 1149 N ARG A 471 -4.568 -4.596 -2.452 1.00 0.17 N ATOM 1150 CA ARG A 471 -3.450 -5.088 -3.223 1.00 0.19 C ATOM 1151 C ARG A 471 -2.413 -5.704 -2.312 1.00 0.18 C ATOM 1152 O ARG A 471 -2.282 -5.320 -1.152 1.00 0.22 O ATOM 1153 CB ARG A 471 -2.823 -3.966 -4.053 1.00 0.28 C ATOM 1154 CG ARG A 471 -3.610 -3.651 -5.308 1.00 0.77 C ATOM 1155 CD ARG A 471 -2.704 -3.483 -6.517 1.00 0.52 C ATOM 1156 NE ARG A 471 -3.419 -3.022 -7.703 1.00 1.18 N ATOM 1157 CZ ARG A 471 -2.847 -2.875 -8.900 1.00 1.45 C ATOM 1158 NH1 ARG A 471 -1.551 -3.125 -9.057 1.00 1.39 N ATOM 1159 NH2 ARG A 471 -3.566 -2.478 -9.941 1.00 2.13 N ATOM 0 H ARG A 471 -4.306 -4.186 -1.556 1.00 0.17 H new ATOM 0 HA ARG A 471 -3.820 -5.853 -3.905 1.00 0.19 H new ATOM 0 HB2 ARG A 471 -2.749 -3.067 -3.442 1.00 0.28 H new ATOM 0 HB3 ARG A 471 -1.807 -4.249 -4.329 1.00 0.28 H new ATOM 0 HG2 ARG A 471 -4.325 -4.451 -5.499 1.00 0.77 H new ATOM 0 HG3 ARG A 471 -4.186 -2.738 -5.156 1.00 0.77 H new ATOM 0 HD2 ARG A 471 -1.914 -2.772 -6.276 1.00 0.52 H new ATOM 0 HD3 ARG A 471 -2.221 -4.435 -6.737 1.00 0.52 H new ATOM 0 HE ARG A 471 -4.410 -2.800 -7.612 1.00 1.18 H new ATOM 0 HH11 ARG A 471 -0.990 -3.430 -8.261 1.00 1.39 H new ATOM 0 HH12 ARG A 471 -1.117 -3.012 -9.973 1.00 1.39 H new ATOM 0 HH21 ARG A 471 -4.561 -2.283 -9.829 1.00 2.13 H new ATOM 0 HH22 ARG A 471 -3.124 -2.367 -10.854 1.00 2.13 H new ATOM 1173 N GLU A 472 -1.703 -6.674 -2.840 1.00 0.20 N ATOM 1174 CA GLU A 472 -0.666 -7.366 -2.091 1.00 0.18 C ATOM 1175 C GLU A 472 0.418 -7.885 -3.020 1.00 0.18 C ATOM 1176 O GLU A 472 0.136 -8.652 -3.942 1.00 0.21 O ATOM 1177 CB GLU A 472 -1.255 -8.529 -1.292 1.00 0.21 C ATOM 1178 CG GLU A 472 -0.225 -9.582 -0.926 1.00 0.21 C ATOM 1179 CD GLU A 472 -0.785 -10.680 -0.047 1.00 0.29 C ATOM 1180 OE1 GLU A 472 -1.078 -10.400 1.136 1.00 0.62 O ATOM 1181 OE2 GLU A 472 -0.932 -11.825 -0.521 1.00 0.65 O ATOM 0 H GLU A 472 -1.823 -7.009 -3.796 1.00 0.20 H new ATOM 0 HA GLU A 472 -0.225 -6.648 -1.399 1.00 0.18 H new ATOM 0 HB2 GLU A 472 -1.710 -8.142 -0.380 1.00 0.21 H new ATOM 0 HB3 GLU A 472 -2.051 -8.995 -1.873 1.00 0.21 H new ATOM 0 HG2 GLU A 472 0.174 -10.024 -1.839 1.00 0.21 H new ATOM 0 HG3 GLU A 472 0.609 -9.103 -0.412 1.00 0.21 H new ATOM 1188 N GLU A 473 1.646 -7.452 -2.790 1.00 0.16 N ATOM 1189 CA GLU A 473 2.774 -7.963 -3.547 1.00 0.17 C ATOM 1190 C GLU A 473 4.089 -7.645 -2.882 1.00 0.20 C ATOM 1191 O GLU A 473 4.326 -6.517 -2.456 1.00 0.26 O ATOM 1192 CB GLU A 473 2.756 -7.440 -4.985 1.00 0.23 C ATOM 1193 CG GLU A 473 3.976 -7.833 -5.797 1.00 0.27 C ATOM 1194 CD GLU A 473 3.871 -7.413 -7.246 1.00 1.24 C ATOM 1195 OE1 GLU A 473 4.510 -6.413 -7.630 1.00 2.26 O ATOM 1196 OE2 GLU A 473 3.145 -8.081 -8.011 1.00 1.25 O ATOM 0 H GLU A 473 1.886 -6.751 -2.089 1.00 0.16 H new ATOM 0 HA GLU A 473 2.674 -9.048 -3.575 1.00 0.17 H new ATOM 0 HB2 GLU A 473 1.863 -7.813 -5.486 1.00 0.23 H new ATOM 0 HB3 GLU A 473 2.680 -6.353 -4.965 1.00 0.23 H new ATOM 0 HG2 GLU A 473 4.863 -7.380 -5.355 1.00 0.27 H new ATOM 0 HG3 GLU A 473 4.110 -8.913 -5.745 1.00 0.27 H new ATOM 1203 N VAL A 474 4.947 -8.643 -2.803 1.00 0.24 N ATOM 1204 CA VAL A 474 6.237 -8.439 -2.218 1.00 0.28 C ATOM 1205 C VAL A 474 7.315 -8.169 -3.260 1.00 0.21 C ATOM 1206 O VAL A 474 7.485 -8.909 -4.228 1.00 0.28 O ATOM 1207 CB VAL A 474 6.637 -9.584 -1.257 1.00 0.49 C ATOM 1208 CG1 VAL A 474 6.315 -10.948 -1.823 1.00 0.80 C ATOM 1209 CG2 VAL A 474 8.100 -9.502 -0.873 1.00 1.22 C ATOM 0 H VAL A 474 4.768 -9.590 -3.136 1.00 0.24 H new ATOM 0 HA VAL A 474 6.154 -7.536 -1.614 1.00 0.28 H new ATOM 0 HB VAL A 474 6.037 -9.452 -0.356 1.00 0.49 H new ATOM 0 HG11 VAL A 474 6.615 -11.717 -1.111 1.00 0.80 H new ATOM 0 HG12 VAL A 474 5.243 -11.022 -2.007 1.00 0.80 H new ATOM 0 HG13 VAL A 474 6.855 -11.090 -2.759 1.00 0.80 H new ATOM 0 HG21 VAL A 474 8.345 -10.322 -0.198 1.00 1.22 H new ATOM 0 HG22 VAL A 474 8.716 -9.574 -1.769 1.00 1.22 H new ATOM 0 HG23 VAL A 474 8.293 -8.552 -0.375 1.00 1.22 H new ATOM 1219 N VAL A 475 8.024 -7.074 -3.032 1.00 0.19 N ATOM 1220 CA VAL A 475 9.012 -6.557 -3.955 1.00 0.19 C ATOM 1221 C VAL A 475 10.332 -6.339 -3.268 1.00 0.19 C ATOM 1222 O VAL A 475 10.404 -5.907 -2.120 1.00 0.26 O ATOM 1223 CB VAL A 475 8.576 -5.201 -4.539 1.00 0.22 C ATOM 1224 CG1 VAL A 475 8.856 -5.150 -6.025 1.00 0.41 C ATOM 1225 CG2 VAL A 475 7.108 -4.910 -4.251 1.00 0.32 C ATOM 0 H VAL A 475 7.924 -6.514 -2.186 1.00 0.19 H new ATOM 0 HA VAL A 475 9.110 -7.298 -4.748 1.00 0.19 H new ATOM 0 HB VAL A 475 9.162 -4.424 -4.049 1.00 0.22 H new ATOM 0 HG11 VAL A 475 8.542 -4.185 -6.422 1.00 0.41 H new ATOM 0 HG12 VAL A 475 9.924 -5.283 -6.199 1.00 0.41 H new ATOM 0 HG13 VAL A 475 8.305 -5.945 -6.527 1.00 0.41 H new ATOM 0 HG21 VAL A 475 6.838 -3.945 -4.679 1.00 0.32 H new ATOM 0 HG22 VAL A 475 6.489 -5.690 -4.695 1.00 0.32 H new ATOM 0 HG23 VAL A 475 6.946 -4.887 -3.173 1.00 0.32 H new ATOM 1235 N THR A 476 11.360 -6.661 -3.995 1.00 0.24 N ATOM 1236 CA THR A 476 12.707 -6.358 -3.622 1.00 0.24 C ATOM 1237 C THR A 476 13.113 -5.041 -4.264 1.00 0.26 C ATOM 1238 O THR A 476 12.944 -4.840 -5.469 1.00 0.33 O ATOM 1239 CB THR A 476 13.591 -7.494 -4.103 1.00 0.31 C ATOM 1240 OG1 THR A 476 13.351 -8.666 -3.310 1.00 0.32 O ATOM 1241 CG2 THR A 476 15.068 -7.122 -4.063 1.00 0.38 C ATOM 0 H THR A 476 11.282 -7.153 -4.885 1.00 0.24 H new ATOM 0 HA THR A 476 12.807 -6.256 -2.541 1.00 0.24 H new ATOM 0 HB THR A 476 13.336 -7.698 -5.143 1.00 0.31 H new ATOM 0 HG1 THR A 476 13.923 -9.397 -3.625 1.00 0.32 H new ATOM 0 HG21 THR A 476 15.665 -7.963 -4.415 1.00 0.38 H new ATOM 0 HG22 THR A 476 15.243 -6.259 -4.705 1.00 0.38 H new ATOM 0 HG23 THR A 476 15.354 -6.877 -3.040 1.00 0.38 H new ATOM 1249 N VAL A 477 13.638 -4.152 -3.454 1.00 0.25 N ATOM 1250 CA VAL A 477 13.832 -2.773 -3.848 1.00 0.29 C ATOM 1251 C VAL A 477 15.251 -2.500 -4.334 1.00 0.33 C ATOM 1252 O VAL A 477 16.214 -3.031 -3.789 1.00 0.37 O ATOM 1253 CB VAL A 477 13.492 -1.874 -2.652 1.00 0.28 C ATOM 1254 CG1 VAL A 477 13.783 -0.408 -2.935 1.00 0.35 C ATOM 1255 CG2 VAL A 477 12.036 -2.068 -2.276 1.00 0.31 C ATOM 0 H VAL A 477 13.943 -4.362 -2.504 1.00 0.25 H new ATOM 0 HA VAL A 477 13.172 -2.558 -4.689 1.00 0.29 H new ATOM 0 HB VAL A 477 14.129 -2.165 -1.817 1.00 0.28 H new ATOM 0 HG11 VAL A 477 13.527 0.189 -2.060 1.00 0.35 H new ATOM 0 HG12 VAL A 477 14.842 -0.284 -3.161 1.00 0.35 H new ATOM 0 HG13 VAL A 477 13.189 -0.077 -3.787 1.00 0.35 H new ATOM 0 HG21 VAL A 477 11.792 -1.430 -1.426 1.00 0.31 H new ATOM 0 HG22 VAL A 477 11.403 -1.803 -3.123 1.00 0.31 H new ATOM 0 HG23 VAL A 477 11.865 -3.111 -2.008 1.00 0.31 H new