USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 418 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 Single : A 404 SER OG : rot -24:sc= 0.209 USER MOD Single : A 405 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0413) USER MOD Single : A 418 GLN : amide:sc= -0.618 K(o=-0.62,f=-1.3) USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 437 MET CE :methyl -149:sc= -0.314 (180deg=-1.2) USER MOD Single : A 439 GLN : amide:sc= -0.859 X(o=-0.86,f=-0.39) USER MOD Single : A 442 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -0.0166 K(o=-0.017,f=-0.6) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 180:sc= 0 USER MOD Single : A 463 GLN :FLIP amide:sc= -0.0303 F(o=-0.62,f=-0.03) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 17.213 31.189 14.963 1.00 13.41 N ATOM 11 CA SER A 404 16.098 32.013 14.564 1.00 14.04 C ATOM 12 C SER A 404 16.314 32.630 13.180 1.00 4.01 C ATOM 13 O SER A 404 15.387 33.148 12.570 1.00 54.13 O ATOM 14 CB SER A 404 15.888 33.100 15.619 1.00 72.52 C ATOM 15 OG SER A 404 17.106 33.812 15.855 1.00 42.21 O ATOM 0 HA SER A 404 15.206 31.390 14.493 1.00 14.04 H new ATOM 0 HB2 SER A 404 15.114 33.792 15.287 1.00 72.52 H new ATOM 0 HB3 SER A 404 15.537 32.650 16.548 1.00 72.52 H new ATOM 0 HG SER A 404 17.868 33.247 15.609 1.00 42.21 H new ATOM 21 N LYS A 405 17.532 32.543 12.680 1.00 52.03 N ATOM 22 CA LYS A 405 17.893 33.172 11.418 1.00 51.12 C ATOM 23 C LYS A 405 17.214 32.489 10.218 1.00 14.13 C ATOM 24 O LYS A 405 16.906 33.139 9.222 1.00 21.15 O ATOM 25 CB LYS A 405 19.420 33.169 11.253 1.00 74.53 C ATOM 26 CG LYS A 405 19.949 33.928 10.045 1.00 4.51 C ATOM 27 CD LYS A 405 19.586 35.402 10.109 1.00 22.54 C ATOM 28 CE LYS A 405 20.173 36.097 11.332 1.00 64.44 C ATOM 29 NZ LYS A 405 21.653 36.109 11.325 1.00 34.41 N ATOM 0 H LYS A 405 18.296 32.039 13.131 1.00 52.03 H new ATOM 0 HA LYS A 405 17.535 34.201 11.442 1.00 51.12 H new ATOM 0 HB2 LYS A 405 19.866 33.595 12.152 1.00 74.53 H new ATOM 0 HB3 LYS A 405 19.759 32.135 11.188 1.00 74.53 H new ATOM 0 HG2 LYS A 405 21.033 33.821 9.993 1.00 4.51 H new ATOM 0 HG3 LYS A 405 19.542 33.491 9.133 1.00 4.51 H new ATOM 0 HD2 LYS A 405 19.942 35.900 9.207 1.00 22.54 H new ATOM 0 HD3 LYS A 405 18.501 35.505 10.123 1.00 22.54 H new ATOM 0 HE2 LYS A 405 19.805 37.122 11.374 1.00 64.44 H new ATOM 0 HE3 LYS A 405 19.822 35.595 12.234 1.00 64.44 H new ATOM 0 HZ1 LYS A 405 21.999 36.679 12.123 1.00 34.41 H new ATOM 0 HZ2 LYS A 405 22.008 35.136 11.415 1.00 34.41 H new ATOM 0 HZ3 LYS A 405 21.993 36.520 10.432 1.00 34.41 H new ATOM 43 N ILE A 406 16.954 31.202 10.334 1.00 73.30 N ATOM 44 CA ILE A 406 16.370 30.446 9.227 1.00 34.21 C ATOM 45 C ILE A 406 14.821 30.453 9.310 1.00 11.45 C ATOM 46 O ILE A 406 14.122 30.008 8.388 1.00 73.03 O ATOM 47 CB ILE A 406 16.909 28.982 9.213 1.00 71.33 C ATOM 48 CG1 ILE A 406 16.458 28.236 7.942 1.00 23.01 C ATOM 49 CG2 ILE A 406 16.455 28.240 10.471 1.00 54.31 C ATOM 50 CD1 ILE A 406 16.987 26.821 7.833 1.00 64.42 C ATOM 0 H ILE A 406 17.134 30.654 11.175 1.00 73.30 H new ATOM 0 HA ILE A 406 16.665 30.930 8.296 1.00 34.21 H new ATOM 0 HB ILE A 406 17.998 29.018 9.205 1.00 71.33 H new ATOM 0 HG12 ILE A 406 15.369 28.208 7.918 1.00 23.01 H new ATOM 0 HG13 ILE A 406 16.782 28.801 7.068 1.00 23.01 H new ATOM 0 HG21 ILE A 406 16.837 27.220 10.449 1.00 54.31 H new ATOM 0 HG22 ILE A 406 16.838 28.752 11.354 1.00 54.31 H new ATOM 0 HG23 ILE A 406 15.366 28.219 10.508 1.00 54.31 H new ATOM 0 HD11 ILE A 406 16.624 26.367 6.911 1.00 64.42 H new ATOM 0 HD12 ILE A 406 18.077 26.840 7.823 1.00 64.42 H new ATOM 0 HD13 ILE A 406 16.642 26.237 8.686 1.00 64.42 H new ATOM 62 N GLU A 407 14.301 31.008 10.386 1.00 2.31 N ATOM 63 CA GLU A 407 12.860 31.034 10.623 1.00 61.43 C ATOM 64 C GLU A 407 12.104 31.848 9.554 1.00 71.11 C ATOM 65 O GLU A 407 11.147 31.347 8.965 1.00 12.50 O ATOM 66 CB GLU A 407 12.538 31.507 12.039 1.00 75.24 C ATOM 67 CG GLU A 407 13.065 30.585 13.118 1.00 2.44 C ATOM 68 CD GLU A 407 12.451 29.213 13.048 1.00 15.42 C ATOM 69 OE1 GLU A 407 11.391 29.003 13.663 1.00 54.24 O ATOM 70 OE2 GLU A 407 13.017 28.322 12.392 1.00 71.01 O ATOM 0 H GLU A 407 14.854 31.452 11.119 1.00 2.31 H new ATOM 0 HA GLU A 407 12.503 30.008 10.534 1.00 61.43 H new ATOM 0 HB2 GLU A 407 12.958 32.502 12.185 1.00 75.24 H new ATOM 0 HB3 GLU A 407 11.457 31.598 12.146 1.00 75.24 H new ATOM 0 HG2 GLU A 407 14.148 30.501 13.024 1.00 2.44 H new ATOM 0 HG3 GLU A 407 12.863 31.021 14.096 1.00 2.44 H new ATOM 77 N PRO A 408 12.508 33.106 9.265 1.00 31.30 N ATOM 78 CA PRO A 408 11.877 33.888 8.202 1.00 23.22 C ATOM 79 C PRO A 408 12.265 33.376 6.804 1.00 44.42 C ATOM 80 O PRO A 408 11.645 33.733 5.820 1.00 74.14 O ATOM 81 CB PRO A 408 12.446 35.292 8.421 1.00 31.33 C ATOM 82 CG PRO A 408 13.765 35.049 9.054 1.00 32.04 C ATOM 83 CD PRO A 408 13.555 33.897 9.967 1.00 52.03 C ATOM 0 HA PRO A 408 10.789 33.837 8.242 1.00 23.22 H new ATOM 0 HB2 PRO A 408 12.548 35.833 7.480 1.00 31.33 H new ATOM 0 HB3 PRO A 408 11.799 35.889 9.063 1.00 31.33 H new ATOM 0 HG2 PRO A 408 14.525 34.824 8.306 1.00 32.04 H new ATOM 0 HG3 PRO A 408 14.106 35.928 9.601 1.00 32.04 H new ATOM 0 HD2 PRO A 408 14.470 33.321 10.109 1.00 52.03 H new ATOM 0 HD3 PRO A 408 13.225 34.219 10.955 1.00 52.03 H new ATOM 91 N VAL A 409 13.279 32.522 6.740 1.00 72.35 N ATOM 92 CA VAL A 409 13.790 32.016 5.465 1.00 63.44 C ATOM 93 C VAL A 409 12.903 30.899 4.926 1.00 11.34 C ATOM 94 O VAL A 409 12.663 30.808 3.727 1.00 3.30 O ATOM 95 CB VAL A 409 15.261 31.512 5.592 1.00 41.44 C ATOM 96 CG1 VAL A 409 15.790 30.994 4.254 1.00 14.31 C ATOM 97 CG2 VAL A 409 16.156 32.618 6.116 1.00 72.14 C ATOM 0 H VAL A 409 13.768 32.162 7.559 1.00 72.35 H new ATOM 0 HA VAL A 409 13.776 32.849 4.762 1.00 63.44 H new ATOM 0 HB VAL A 409 15.269 30.684 6.301 1.00 41.44 H new ATOM 0 HG11 VAL A 409 16.817 30.651 4.377 1.00 14.31 H new ATOM 0 HG12 VAL A 409 15.169 30.166 3.913 1.00 14.31 H new ATOM 0 HG13 VAL A 409 15.762 31.796 3.516 1.00 14.31 H new ATOM 0 HG21 VAL A 409 17.179 32.250 6.199 1.00 72.14 H new ATOM 0 HG22 VAL A 409 16.129 33.464 5.429 1.00 72.14 H new ATOM 0 HG23 VAL A 409 15.804 32.936 7.097 1.00 72.14 H new ATOM 107 N VAL A 410 12.393 30.069 5.813 1.00 53.13 N ATOM 108 CA VAL A 410 11.540 28.965 5.391 1.00 43.13 C ATOM 109 C VAL A 410 10.164 29.447 4.942 1.00 10.10 C ATOM 110 O VAL A 410 9.442 28.730 4.247 1.00 63.10 O ATOM 111 CB VAL A 410 11.404 27.868 6.470 1.00 74.04 C ATOM 112 CG1 VAL A 410 12.759 27.274 6.783 1.00 33.15 C ATOM 113 CG2 VAL A 410 10.756 28.412 7.732 1.00 43.43 C ATOM 0 H VAL A 410 12.548 30.132 6.819 1.00 53.13 H new ATOM 0 HA VAL A 410 12.041 28.516 4.533 1.00 43.13 H new ATOM 0 HB VAL A 410 10.757 27.084 6.076 1.00 74.04 H new ATOM 0 HG11 VAL A 410 12.651 26.502 7.545 1.00 33.15 H new ATOM 0 HG12 VAL A 410 13.181 26.835 5.879 1.00 33.15 H new ATOM 0 HG13 VAL A 410 13.423 28.056 7.151 1.00 33.15 H new ATOM 0 HG21 VAL A 410 10.675 27.615 8.472 1.00 43.43 H new ATOM 0 HG22 VAL A 410 11.366 29.220 8.135 1.00 43.43 H new ATOM 0 HG23 VAL A 410 9.762 28.791 7.496 1.00 43.43 H new ATOM 123 N LEU A 411 9.815 30.673 5.330 1.00 74.21 N ATOM 124 CA LEU A 411 8.539 31.261 4.963 1.00 25.14 C ATOM 125 C LEU A 411 8.357 31.370 3.449 1.00 20.52 C ATOM 126 O LEU A 411 7.429 30.764 2.910 1.00 53.25 O ATOM 127 CB LEU A 411 8.310 32.603 5.635 1.00 11.14 C ATOM 128 CG LEU A 411 8.192 32.585 7.153 1.00 33.10 C ATOM 129 CD1 LEU A 411 7.950 33.971 7.660 1.00 44.44 C ATOM 130 CD2 LEU A 411 7.078 31.649 7.611 1.00 13.13 C ATOM 0 H LEU A 411 10.406 31.277 5.902 1.00 74.21 H new ATOM 0 HA LEU A 411 7.778 30.573 5.332 1.00 25.14 H new ATOM 0 HB2 LEU A 411 9.131 33.266 5.363 1.00 11.14 H new ATOM 0 HB3 LEU A 411 7.399 33.040 5.226 1.00 11.14 H new ATOM 0 HG LEU A 411 9.129 32.211 7.565 1.00 33.10 H new ATOM 0 HD11 LEU A 411 7.866 33.952 8.747 1.00 44.44 H new ATOM 0 HD12 LEU A 411 8.781 34.614 7.371 1.00 44.44 H new ATOM 0 HD13 LEU A 411 7.026 34.359 7.232 1.00 44.44 H new ATOM 0 HD21 LEU A 411 7.019 31.658 8.699 1.00 13.13 H new ATOM 0 HD22 LEU A 411 6.128 31.982 7.193 1.00 13.13 H new ATOM 0 HD23 LEU A 411 7.290 30.636 7.268 1.00 13.13 H new ATOM 142 N PRO A 412 9.235 32.126 2.708 1.00 72.22 N ATOM 143 CA PRO A 412 9.095 32.229 1.276 1.00 4.50 C ATOM 144 C PRO A 412 9.291 30.873 0.599 1.00 40.43 C ATOM 145 O PRO A 412 8.689 30.601 -0.422 1.00 72.45 O ATOM 146 CB PRO A 412 10.183 33.220 0.845 1.00 53.12 C ATOM 147 CG PRO A 412 11.168 33.204 1.952 1.00 33.31 C ATOM 148 CD PRO A 412 10.376 32.935 3.193 1.00 1.40 C ATOM 0 HA PRO A 412 8.098 32.562 0.989 1.00 4.50 H new ATOM 0 HB2 PRO A 412 10.641 32.919 -0.097 1.00 53.12 H new ATOM 0 HB3 PRO A 412 9.772 34.218 0.695 1.00 53.12 H new ATOM 0 HG2 PRO A 412 11.922 32.433 1.794 1.00 33.31 H new ATOM 0 HG3 PRO A 412 11.694 34.156 2.022 1.00 33.31 H new ATOM 0 HD2 PRO A 412 10.964 32.395 3.935 1.00 1.40 H new ATOM 0 HD3 PRO A 412 10.041 33.859 3.663 1.00 1.40 H new ATOM 156 N LEU A 413 10.119 30.017 1.206 1.00 21.54 N ATOM 157 CA LEU A 413 10.379 28.688 0.671 1.00 23.34 C ATOM 158 C LEU A 413 9.113 27.847 0.639 1.00 13.11 C ATOM 159 O LEU A 413 8.844 27.150 -0.348 1.00 73.03 O ATOM 160 CB LEU A 413 11.478 27.985 1.446 1.00 41.23 C ATOM 161 CG LEU A 413 12.851 28.654 1.405 1.00 72.45 C ATOM 162 CD1 LEU A 413 13.850 27.818 2.150 1.00 12.52 C ATOM 163 CD2 LEU A 413 13.314 28.881 -0.032 1.00 15.31 C ATOM 0 H LEU A 413 10.619 30.227 2.070 1.00 21.54 H new ATOM 0 HA LEU A 413 10.723 28.812 -0.356 1.00 23.34 H new ATOM 0 HB2 LEU A 413 11.166 27.901 2.487 1.00 41.23 H new ATOM 0 HB3 LEU A 413 11.577 26.970 1.060 1.00 41.23 H new ATOM 0 HG LEU A 413 12.770 29.629 1.886 1.00 72.45 H new ATOM 0 HD11 LEU A 413 14.826 28.301 2.116 1.00 12.52 H new ATOM 0 HD12 LEU A 413 13.534 27.711 3.188 1.00 12.52 H new ATOM 0 HD13 LEU A 413 13.917 26.833 1.688 1.00 12.52 H new ATOM 0 HD21 LEU A 413 14.294 29.358 -0.027 1.00 15.31 H new ATOM 0 HD22 LEU A 413 13.379 27.924 -0.549 1.00 15.31 H new ATOM 0 HD23 LEU A 413 12.600 29.523 -0.547 1.00 15.31 H new ATOM 175 N LEU A 414 8.336 27.910 1.714 1.00 0.14 N ATOM 176 CA LEU A 414 7.046 27.234 1.761 1.00 44.40 C ATOM 177 C LEU A 414 6.090 27.912 0.802 1.00 74.13 C ATOM 178 O LEU A 414 5.320 27.260 0.115 1.00 24.11 O ATOM 179 CB LEU A 414 6.460 27.243 3.182 1.00 11.03 C ATOM 180 CG LEU A 414 5.035 26.670 3.331 1.00 22.00 C ATOM 181 CD1 LEU A 414 4.964 25.216 2.886 1.00 34.41 C ATOM 182 CD2 LEU A 414 4.535 26.823 4.757 1.00 22.42 C ATOM 0 H LEU A 414 8.577 28.421 2.563 1.00 0.14 H new ATOM 0 HA LEU A 414 7.190 26.194 1.468 1.00 44.40 H new ATOM 0 HB2 LEU A 414 7.127 26.677 3.832 1.00 11.03 H new ATOM 0 HB3 LEU A 414 6.457 28.271 3.545 1.00 11.03 H new ATOM 0 HG LEU A 414 4.382 27.246 2.675 1.00 22.00 H new ATOM 0 HD11 LEU A 414 3.945 24.848 3.006 1.00 34.41 H new ATOM 0 HD12 LEU A 414 5.256 25.141 1.838 1.00 34.41 H new ATOM 0 HD13 LEU A 414 5.640 24.616 3.495 1.00 34.41 H new ATOM 0 HD21 LEU A 414 3.529 26.412 4.836 1.00 22.42 H new ATOM 0 HD22 LEU A 414 5.200 26.288 5.435 1.00 22.42 H new ATOM 0 HD23 LEU A 414 4.517 27.879 5.025 1.00 22.42 H new ATOM 194 N TRP A 415 6.172 29.224 0.752 1.00 30.12 N ATOM 195 CA TRP A 415 5.357 30.035 -0.128 1.00 42.55 C ATOM 196 C TRP A 415 5.557 29.626 -1.607 1.00 54.11 C ATOM 197 O TRP A 415 4.622 29.685 -2.407 1.00 24.34 O ATOM 198 CB TRP A 415 5.670 31.520 0.123 1.00 24.00 C ATOM 199 CG TRP A 415 4.937 32.493 -0.741 1.00 20.34 C ATOM 200 CD1 TRP A 415 3.606 32.785 -0.712 1.00 53.23 C ATOM 201 CD2 TRP A 415 5.513 33.340 -1.735 1.00 51.41 C ATOM 202 NE1 TRP A 415 3.320 33.744 -1.650 1.00 21.42 N ATOM 203 CE2 TRP A 415 4.476 34.101 -2.289 1.00 71.31 C ATOM 204 CE3 TRP A 415 6.812 33.519 -2.216 1.00 23.21 C ATOM 205 CZ2 TRP A 415 4.694 35.032 -3.299 1.00 12.31 C ATOM 206 CZ3 TRP A 415 7.024 34.443 -3.215 1.00 62.22 C ATOM 207 CH2 TRP A 415 5.968 35.188 -3.747 1.00 65.11 C ATOM 0 H TRP A 415 6.815 29.765 1.329 1.00 30.12 H new ATOM 0 HA TRP A 415 4.302 29.869 0.090 1.00 42.55 H new ATOM 0 HB2 TRP A 415 5.446 31.748 1.165 1.00 24.00 H new ATOM 0 HB3 TRP A 415 6.740 31.675 -0.015 1.00 24.00 H new ATOM 0 HD1 TRP A 415 2.885 32.330 -0.050 1.00 53.23 H new ATOM 0 HE1 TRP A 415 2.395 34.129 -1.840 1.00 21.42 H new ATOM 0 HE3 TRP A 415 7.633 32.945 -1.813 1.00 23.21 H new ATOM 0 HZ2 TRP A 415 3.881 35.610 -3.712 1.00 12.31 H new ATOM 0 HZ3 TRP A 415 8.024 34.595 -3.594 1.00 62.22 H new ATOM 0 HH2 TRP A 415 6.168 35.903 -4.531 1.00 65.11 H new ATOM 218 N PHE A 416 6.758 29.179 -1.961 1.00 62.52 N ATOM 219 CA PHE A 416 6.997 28.713 -3.322 1.00 23.31 C ATOM 220 C PHE A 416 6.348 27.356 -3.552 1.00 20.41 C ATOM 221 O PHE A 416 5.873 27.054 -4.657 1.00 73.42 O ATOM 222 CB PHE A 416 8.480 28.683 -3.727 1.00 35.41 C ATOM 223 CG PHE A 416 9.190 30.012 -3.738 1.00 4.51 C ATOM 224 CD1 PHE A 416 10.279 30.235 -2.913 1.00 72.45 C ATOM 225 CD2 PHE A 416 8.775 31.032 -4.571 1.00 32.32 C ATOM 226 CE1 PHE A 416 10.938 31.449 -2.920 1.00 44.24 C ATOM 227 CE2 PHE A 416 9.429 32.249 -4.583 1.00 30.42 C ATOM 228 CZ PHE A 416 10.512 32.457 -3.755 1.00 74.43 C ATOM 0 H PHE A 416 7.565 29.130 -1.339 1.00 62.52 H new ATOM 0 HA PHE A 416 6.529 29.453 -3.971 1.00 23.31 H new ATOM 0 HB2 PHE A 416 9.009 28.017 -3.045 1.00 35.41 H new ATOM 0 HB3 PHE A 416 8.555 28.245 -4.722 1.00 35.41 H new ATOM 0 HD1 PHE A 416 10.618 29.449 -2.255 1.00 72.45 H new ATOM 0 HD2 PHE A 416 7.928 30.876 -5.222 1.00 32.32 H new ATOM 0 HE1 PHE A 416 11.787 31.607 -2.271 1.00 44.24 H new ATOM 0 HE2 PHE A 416 9.092 33.037 -5.240 1.00 30.42 H new ATOM 0 HZ PHE A 416 11.024 33.408 -3.762 1.00 74.43 H new ATOM 238 N GLU A 417 6.294 26.549 -2.506 1.00 71.31 N ATOM 239 CA GLU A 417 5.650 25.249 -2.573 1.00 31.12 C ATOM 240 C GLU A 417 4.177 25.423 -2.824 1.00 10.44 C ATOM 241 O GLU A 417 3.535 24.581 -3.440 1.00 20.33 O ATOM 242 CB GLU A 417 5.836 24.470 -1.286 1.00 54.05 C ATOM 243 CG GLU A 417 7.247 24.035 -0.989 1.00 73.23 C ATOM 244 CD GLU A 417 7.322 23.198 0.259 1.00 1.25 C ATOM 245 OE1 GLU A 417 7.772 23.695 1.302 1.00 43.25 O ATOM 246 OE2 GLU A 417 6.917 22.012 0.214 1.00 4.51 O ATOM 0 H GLU A 417 6.692 26.774 -1.594 1.00 71.31 H new ATOM 0 HA GLU A 417 6.112 24.693 -3.388 1.00 31.12 H new ATOM 0 HB2 GLU A 417 5.481 25.082 -0.457 1.00 54.05 H new ATOM 0 HB3 GLU A 417 5.202 23.584 -1.323 1.00 54.05 H new ATOM 0 HG2 GLU A 417 7.637 23.466 -1.833 1.00 73.23 H new ATOM 0 HG3 GLU A 417 7.882 24.914 -0.876 1.00 73.23 H new ATOM 253 N GLN A 418 3.659 26.548 -2.369 1.00 33.22 N ATOM 254 CA GLN A 418 2.257 26.879 -2.499 1.00 14.13 C ATOM 255 C GLN A 418 1.920 27.223 -3.955 1.00 44.23 C ATOM 256 O GLN A 418 0.758 27.213 -4.364 1.00 70.43 O ATOM 257 CB GLN A 418 1.912 28.036 -1.571 1.00 53.40 C ATOM 258 CG GLN A 418 2.340 27.775 -0.153 1.00 63.54 C ATOM 259 CD GLN A 418 1.967 28.878 0.815 1.00 0.03 C ATOM 260 OE1 GLN A 418 1.897 30.055 0.453 1.00 43.14 O ATOM 261 NE2 GLN A 418 1.713 28.510 2.045 1.00 15.33 N ATOM 0 H GLN A 418 4.208 27.264 -1.894 1.00 33.22 H new ATOM 0 HA GLN A 418 1.658 26.014 -2.213 1.00 14.13 H new ATOM 0 HB2 GLN A 418 2.393 28.945 -1.932 1.00 53.40 H new ATOM 0 HB3 GLN A 418 0.837 28.212 -1.597 1.00 53.40 H new ATOM 0 HG2 GLN A 418 1.891 26.841 0.185 1.00 63.54 H new ATOM 0 HG3 GLN A 418 3.421 27.636 -0.130 1.00 63.54 H new ATOM 0 HE21 GLN A 418 1.781 27.527 2.308 1.00 15.33 H new ATOM 0 HE22 GLN A 418 1.447 29.206 2.741 1.00 15.33 H new ATOM 270 N SER A 419 2.947 27.526 -4.725 1.00 41.31 N ATOM 271 CA SER A 419 2.809 27.787 -6.136 1.00 43.40 C ATOM 272 C SER A 419 2.972 26.468 -6.893 1.00 52.15 C ATOM 273 O SER A 419 2.541 26.316 -8.045 1.00 24.34 O ATOM 274 CB SER A 419 3.885 28.806 -6.580 1.00 52.45 C ATOM 275 OG SER A 419 3.792 29.127 -7.961 1.00 52.33 O ATOM 0 H SER A 419 3.905 27.597 -4.382 1.00 41.31 H new ATOM 0 HA SER A 419 1.827 28.208 -6.351 1.00 43.40 H new ATOM 0 HB2 SER A 419 3.783 29.717 -5.991 1.00 52.45 H new ATOM 0 HB3 SER A 419 4.874 28.400 -6.370 1.00 52.45 H new ATOM 0 HG SER A 419 4.490 29.774 -8.194 1.00 52.33 H new ATOM 281 N GLY A 420 3.554 25.498 -6.212 1.00 51.44 N ATOM 282 CA GLY A 420 3.876 24.254 -6.842 1.00 2.42 C ATOM 283 C GLY A 420 5.154 24.390 -7.623 1.00 71.24 C ATOM 284 O GLY A 420 5.383 23.684 -8.597 1.00 4.10 O ATOM 0 H GLY A 420 3.808 25.558 -5.226 1.00 51.44 H new ATOM 0 HA2 GLY A 420 3.981 23.472 -6.090 1.00 2.42 H new ATOM 0 HA3 GLY A 420 3.065 23.952 -7.505 1.00 2.42 H new ATOM 288 N ALA A 421 6.002 25.302 -7.169 1.00 3.34 N ATOM 289 CA ALA A 421 7.256 25.611 -7.836 1.00 42.42 C ATOM 290 C ALA A 421 8.236 24.436 -7.793 1.00 0.24 C ATOM 291 O ALA A 421 9.108 24.319 -8.642 1.00 63.31 O ATOM 292 CB ALA A 421 7.861 26.870 -7.242 1.00 22.11 C ATOM 0 H ALA A 421 5.838 25.850 -6.324 1.00 3.34 H new ATOM 0 HA ALA A 421 7.045 25.792 -8.890 1.00 42.42 H new ATOM 0 HB1 ALA A 421 8.800 27.095 -7.747 1.00 22.11 H new ATOM 0 HB2 ALA A 421 7.170 27.703 -7.373 1.00 22.11 H new ATOM 0 HB3 ALA A 421 8.048 26.717 -6.179 1.00 22.11 H new ATOM 535 N MET A 437 -10.959 14.735 -8.613 1.00 62.23 N ATOM 536 CA MET A 437 -10.262 15.010 -9.859 1.00 30.34 C ATOM 537 C MET A 437 -9.920 13.729 -10.633 1.00 52.43 C ATOM 538 O MET A 437 -9.511 12.739 -10.036 1.00 3.44 O ATOM 539 CB MET A 437 -9.002 15.829 -9.537 1.00 1.43 C ATOM 540 CG MET A 437 -8.283 16.427 -10.731 1.00 54.51 C ATOM 541 SD MET A 437 -6.879 17.457 -10.241 1.00 4.44 S ATOM 542 CE MET A 437 -7.683 18.651 -9.147 1.00 22.23 C ATOM 0 HA MET A 437 -10.919 15.582 -10.515 1.00 30.34 H new ATOM 0 HB2 MET A 437 -9.280 16.638 -8.861 1.00 1.43 H new ATOM 0 HB3 MET A 437 -8.303 15.189 -8.998 1.00 1.43 H new ATOM 0 HG2 MET A 437 -7.933 15.625 -11.381 1.00 54.51 H new ATOM 0 HG3 MET A 437 -8.984 17.025 -11.313 1.00 54.51 H new ATOM 0 HE1 MET A 437 -7.160 19.605 -9.203 1.00 22.23 H new ATOM 0 HE2 MET A 437 -8.719 18.787 -9.456 1.00 22.23 H new ATOM 0 HE3 MET A 437 -7.655 18.281 -8.122 1.00 22.23 H new ATOM 552 N PRO A 438 -10.094 13.758 -11.996 1.00 70.20 N ATOM 553 CA PRO A 438 -9.792 12.632 -12.930 1.00 24.14 C ATOM 554 C PRO A 438 -8.496 11.847 -12.634 1.00 65.14 C ATOM 555 O PRO A 438 -8.400 10.668 -12.977 1.00 34.13 O ATOM 556 CB PRO A 438 -9.690 13.337 -14.271 1.00 52.41 C ATOM 557 CG PRO A 438 -10.712 14.409 -14.176 1.00 12.25 C ATOM 558 CD PRO A 438 -10.661 14.906 -12.753 1.00 12.14 C ATOM 0 HA PRO A 438 -10.558 11.860 -12.858 1.00 24.14 H new ATOM 0 HB2 PRO A 438 -8.693 13.746 -14.435 1.00 52.41 H new ATOM 0 HB3 PRO A 438 -9.896 12.658 -15.098 1.00 52.41 H new ATOM 0 HG2 PRO A 438 -10.499 15.215 -14.879 1.00 12.25 H new ATOM 0 HG3 PRO A 438 -11.703 14.026 -14.421 1.00 12.25 H new ATOM 0 HD2 PRO A 438 -10.035 15.794 -12.662 1.00 12.14 H new ATOM 0 HD3 PRO A 438 -11.652 15.176 -12.388 1.00 12.14 H new ATOM 566 N GLN A 439 -7.512 12.498 -12.013 1.00 62.20 N ATOM 567 CA GLN A 439 -6.248 11.847 -11.631 1.00 42.32 C ATOM 568 C GLN A 439 -6.484 10.591 -10.773 1.00 71.05 C ATOM 569 O GLN A 439 -5.656 9.673 -10.766 1.00 15.34 O ATOM 570 CB GLN A 439 -5.312 12.830 -10.904 1.00 64.23 C ATOM 571 CG GLN A 439 -5.909 13.460 -9.653 1.00 70.12 C ATOM 572 CD GLN A 439 -4.959 14.421 -8.949 1.00 41.33 C ATOM 573 OE1 GLN A 439 -5.388 15.383 -8.332 1.00 41.24 O ATOM 574 NE2 GLN A 439 -3.673 14.153 -9.011 1.00 23.04 N ATOM 0 H GLN A 439 -7.563 13.485 -11.760 1.00 62.20 H new ATOM 0 HA GLN A 439 -5.764 11.530 -12.554 1.00 42.32 H new ATOM 0 HB2 GLN A 439 -4.396 12.306 -10.630 1.00 64.23 H new ATOM 0 HB3 GLN A 439 -5.030 13.623 -11.596 1.00 64.23 H new ATOM 0 HG2 GLN A 439 -6.820 13.994 -9.923 1.00 70.12 H new ATOM 0 HG3 GLN A 439 -6.196 12.670 -8.959 1.00 70.12 H new ATOM 0 HE21 GLN A 439 -3.346 13.341 -9.535 1.00 23.04 H new ATOM 0 HE22 GLN A 439 -3.003 14.757 -8.535 1.00 23.04 H new ATOM 583 N VAL A 440 -7.622 10.550 -10.073 1.00 60.43 N ATOM 584 CA VAL A 440 -7.983 9.412 -9.245 1.00 61.30 C ATOM 585 C VAL A 440 -8.090 8.126 -10.083 1.00 30.22 C ATOM 586 O VAL A 440 -7.800 7.053 -9.593 1.00 44.24 O ATOM 587 CB VAL A 440 -9.302 9.642 -8.440 1.00 63.13 C ATOM 588 CG1 VAL A 440 -10.527 9.769 -9.340 1.00 63.44 C ATOM 589 CG2 VAL A 440 -9.504 8.564 -7.384 1.00 75.44 C ATOM 0 H VAL A 440 -8.310 11.303 -10.069 1.00 60.43 H new ATOM 0 HA VAL A 440 -7.178 9.297 -8.520 1.00 61.30 H new ATOM 0 HB VAL A 440 -9.189 10.599 -7.930 1.00 63.13 H new ATOM 0 HG11 VAL A 440 -11.414 9.927 -8.727 1.00 63.44 H new ATOM 0 HG12 VAL A 440 -10.397 10.615 -10.015 1.00 63.44 H new ATOM 0 HG13 VAL A 440 -10.647 8.855 -9.922 1.00 63.44 H new ATOM 0 HG21 VAL A 440 -10.431 8.754 -6.842 1.00 75.44 H new ATOM 0 HG22 VAL A 440 -9.559 7.588 -7.866 1.00 75.44 H new ATOM 0 HG23 VAL A 440 -8.667 8.577 -6.686 1.00 75.44 H new ATOM 599 N LEU A 441 -8.471 8.252 -11.365 1.00 55.51 N ATOM 600 CA LEU A 441 -8.608 7.083 -12.242 1.00 71.13 C ATOM 601 C LEU A 441 -7.308 6.297 -12.380 1.00 11.44 C ATOM 602 O LEU A 441 -7.330 5.072 -12.531 1.00 1.52 O ATOM 603 CB LEU A 441 -9.215 7.404 -13.631 1.00 41.20 C ATOM 604 CG LEU A 441 -10.731 7.719 -13.698 1.00 52.31 C ATOM 605 CD1 LEU A 441 -11.097 8.996 -12.971 1.00 14.12 C ATOM 606 CD2 LEU A 441 -11.196 7.770 -15.139 1.00 53.10 C ATOM 0 H LEU A 441 -8.687 9.143 -11.811 1.00 55.51 H new ATOM 0 HA LEU A 441 -9.331 6.445 -11.734 1.00 71.13 H new ATOM 0 HB2 LEU A 441 -8.676 8.257 -14.044 1.00 41.20 H new ATOM 0 HB3 LEU A 441 -9.019 6.556 -14.287 1.00 41.20 H new ATOM 0 HG LEU A 441 -11.248 6.909 -13.183 1.00 52.31 H new ATOM 0 HD11 LEU A 441 -12.171 9.166 -13.052 1.00 14.12 H new ATOM 0 HD12 LEU A 441 -10.821 8.908 -11.920 1.00 14.12 H new ATOM 0 HD13 LEU A 441 -10.563 9.835 -13.417 1.00 14.12 H new ATOM 0 HD21 LEU A 441 -12.263 7.992 -15.169 1.00 53.10 H new ATOM 0 HD22 LEU A 441 -10.648 8.548 -15.671 1.00 53.10 H new ATOM 0 HD23 LEU A 441 -11.012 6.807 -15.615 1.00 53.10 H new ATOM 618 N HIS A 442 -6.180 6.984 -12.307 1.00 31.04 N ATOM 619 CA HIS A 442 -4.891 6.315 -12.362 1.00 54.13 C ATOM 620 C HIS A 442 -4.695 5.467 -11.103 1.00 34.31 C ATOM 621 O HIS A 442 -4.150 4.380 -11.161 1.00 72.34 O ATOM 622 CB HIS A 442 -3.748 7.331 -12.533 1.00 3.45 C ATOM 623 CG HIS A 442 -2.375 6.715 -12.611 1.00 74.42 C ATOM 624 ND1 HIS A 442 -1.318 7.146 -11.854 1.00 21.10 N ATOM 625 CD2 HIS A 442 -1.889 5.720 -13.391 1.00 4.14 C ATOM 626 CE1 HIS A 442 -0.248 6.451 -12.154 1.00 65.15 C ATOM 627 NE2 HIS A 442 -0.567 5.580 -13.082 1.00 72.23 N ATOM 0 H HIS A 442 -6.130 7.998 -12.210 1.00 31.04 H new ATOM 0 HA HIS A 442 -4.872 5.658 -13.231 1.00 54.13 H new ATOM 0 HB2 HIS A 442 -3.925 7.910 -13.439 1.00 3.45 H new ATOM 0 HB3 HIS A 442 -3.772 8.031 -11.698 1.00 3.45 H new ATOM 0 HD2 HIS A 442 -2.443 5.146 -14.119 1.00 4.14 H new ATOM 0 HE1 HIS A 442 0.730 6.574 -11.712 1.00 65.15 H new ATOM 0 HE2 HIS A 442 0.071 4.906 -13.505 1.00 72.23 H new ATOM 636 N TYR A 443 -5.176 5.970 -9.985 1.00 61.54 N ATOM 637 CA TYR A 443 -5.104 5.249 -8.717 1.00 34.54 C ATOM 638 C TYR A 443 -6.167 4.168 -8.670 1.00 11.21 C ATOM 639 O TYR A 443 -5.990 3.145 -8.037 1.00 72.35 O ATOM 640 CB TYR A 443 -5.245 6.203 -7.535 1.00 22.35 C ATOM 641 CG TYR A 443 -4.131 7.212 -7.456 1.00 15.21 C ATOM 642 CD1 TYR A 443 -2.984 6.948 -6.726 1.00 24.23 C ATOM 643 CD2 TYR A 443 -4.224 8.428 -8.116 1.00 21.13 C ATOM 644 CE1 TYR A 443 -1.956 7.870 -6.657 1.00 2.02 C ATOM 645 CE2 TYR A 443 -3.208 9.352 -8.052 1.00 54.15 C ATOM 646 CZ TYR A 443 -2.076 9.071 -7.321 1.00 61.10 C ATOM 647 OH TYR A 443 -1.055 9.993 -7.264 1.00 71.25 O ATOM 0 H TYR A 443 -5.626 6.883 -9.922 1.00 61.54 H new ATOM 0 HA TYR A 443 -4.124 4.777 -8.644 1.00 34.54 H new ATOM 0 HB2 TYR A 443 -6.198 6.727 -7.610 1.00 22.35 H new ATOM 0 HB3 TYR A 443 -5.271 5.626 -6.611 1.00 22.35 H new ATOM 0 HD1 TYR A 443 -2.891 6.008 -6.203 1.00 24.23 H new ATOM 0 HD2 TYR A 443 -5.110 8.653 -8.691 1.00 21.13 H new ATOM 0 HE1 TYR A 443 -1.066 7.650 -6.087 1.00 2.02 H new ATOM 0 HE2 TYR A 443 -3.298 10.294 -8.573 1.00 54.15 H new ATOM 0 HH TYR A 443 -1.300 10.785 -7.787 1.00 71.25 H new ATOM 657 N ALA A 444 -7.265 4.411 -9.368 1.00 62.41 N ATOM 658 CA ALA A 444 -8.351 3.445 -9.503 1.00 2.20 C ATOM 659 C ALA A 444 -7.837 2.177 -10.156 1.00 40.00 C ATOM 660 O ALA A 444 -8.302 1.084 -9.849 1.00 72.10 O ATOM 661 CB ALA A 444 -9.507 4.030 -10.293 1.00 61.41 C ATOM 0 H ALA A 444 -7.432 5.288 -9.861 1.00 62.41 H new ATOM 0 HA ALA A 444 -8.723 3.201 -8.508 1.00 2.20 H new ATOM 0 HB1 ALA A 444 -10.302 3.289 -10.378 1.00 61.41 H new ATOM 0 HB2 ALA A 444 -9.888 4.913 -9.780 1.00 61.41 H new ATOM 0 HB3 ALA A 444 -9.163 4.309 -11.289 1.00 61.41 H new ATOM 667 N GLN A 445 -6.867 2.340 -11.064 1.00 3.32 N ATOM 668 CA GLN A 445 -6.189 1.205 -11.682 1.00 60.31 C ATOM 669 C GLN A 445 -5.541 0.370 -10.590 1.00 61.34 C ATOM 670 O GLN A 445 -5.749 -0.823 -10.510 1.00 21.04 O ATOM 671 CB GLN A 445 -5.115 1.686 -12.660 1.00 3.40 C ATOM 672 CG GLN A 445 -5.640 2.468 -13.850 1.00 75.30 C ATOM 673 CD GLN A 445 -4.521 2.991 -14.733 1.00 5.35 C ATOM 674 OE1 GLN A 445 -3.453 2.398 -14.821 1.00 61.03 O ATOM 675 NE2 GLN A 445 -4.762 4.096 -15.396 1.00 72.03 N ATOM 0 H GLN A 445 -6.537 3.250 -11.384 1.00 3.32 H new ATOM 0 HA GLN A 445 -6.917 0.610 -12.233 1.00 60.31 H new ATOM 0 HB2 GLN A 445 -4.404 2.310 -12.118 1.00 3.40 H new ATOM 0 HB3 GLN A 445 -4.564 0.820 -13.027 1.00 3.40 H new ATOM 0 HG2 GLN A 445 -6.298 1.830 -14.440 1.00 75.30 H new ATOM 0 HG3 GLN A 445 -6.242 3.305 -13.496 1.00 75.30 H new ATOM 0 HE21 GLN A 445 -5.663 4.563 -15.298 1.00 72.03 H new ATOM 0 HE22 GLN A 445 -4.048 4.489 -16.010 1.00 72.03 H new ATOM 684 N TYR A 446 -4.794 1.043 -9.723 1.00 63.40 N ATOM 685 CA TYR A 446 -4.134 0.417 -8.579 1.00 44.24 C ATOM 686 C TYR A 446 -5.139 -0.275 -7.662 1.00 44.31 C ATOM 687 O TYR A 446 -4.887 -1.387 -7.169 1.00 31.12 O ATOM 688 CB TYR A 446 -3.289 1.452 -7.816 1.00 20.14 C ATOM 689 CG TYR A 446 -2.020 1.841 -8.543 1.00 62.42 C ATOM 690 CD1 TYR A 446 -0.849 1.127 -8.338 1.00 31.31 C ATOM 691 CD2 TYR A 446 -1.990 2.903 -9.433 1.00 1.22 C ATOM 692 CE1 TYR A 446 0.312 1.456 -8.997 1.00 23.12 C ATOM 693 CE2 TYR A 446 -0.828 3.242 -10.097 1.00 63.33 C ATOM 694 CZ TYR A 446 0.319 2.511 -9.875 1.00 22.11 C ATOM 695 OH TYR A 446 1.481 2.835 -10.541 1.00 4.32 O ATOM 0 H TYR A 446 -4.627 2.047 -9.793 1.00 63.40 H new ATOM 0 HA TYR A 446 -3.464 -0.357 -8.954 1.00 44.24 H new ATOM 0 HB2 TYR A 446 -3.889 2.345 -7.644 1.00 20.14 H new ATOM 0 HB3 TYR A 446 -3.030 1.049 -6.837 1.00 20.14 H new ATOM 0 HD1 TYR A 446 -0.849 0.297 -7.647 1.00 31.31 H new ATOM 0 HD2 TYR A 446 -2.889 3.474 -9.610 1.00 1.22 H new ATOM 0 HE1 TYR A 446 1.214 0.887 -8.825 1.00 23.12 H new ATOM 0 HE2 TYR A 446 -0.818 4.074 -10.785 1.00 63.33 H new ATOM 0 HH TYR A 446 1.319 3.604 -11.126 1.00 4.32 H new ATOM 705 N VAL A 447 -6.276 0.368 -7.460 1.00 54.23 N ATOM 706 CA VAL A 447 -7.367 -0.194 -6.674 1.00 32.00 C ATOM 707 C VAL A 447 -7.901 -1.465 -7.348 1.00 1.23 C ATOM 708 O VAL A 447 -8.178 -2.462 -6.686 1.00 72.55 O ATOM 709 CB VAL A 447 -8.530 0.833 -6.492 1.00 13.44 C ATOM 710 CG1 VAL A 447 -9.686 0.229 -5.701 1.00 63.03 C ATOM 711 CG2 VAL A 447 -8.026 2.092 -5.803 1.00 43.12 C ATOM 0 H VAL A 447 -6.472 1.296 -7.836 1.00 54.23 H new ATOM 0 HA VAL A 447 -6.974 -0.440 -5.688 1.00 32.00 H new ATOM 0 HB VAL A 447 -8.899 1.095 -7.484 1.00 13.44 H new ATOM 0 HG11 VAL A 447 -10.479 0.969 -5.592 1.00 63.03 H new ATOM 0 HG12 VAL A 447 -10.073 -0.642 -6.230 1.00 63.03 H new ATOM 0 HG13 VAL A 447 -9.334 -0.073 -4.715 1.00 63.03 H new ATOM 0 HG21 VAL A 447 -8.849 2.796 -5.684 1.00 43.12 H new ATOM 0 HG22 VAL A 447 -7.625 1.835 -4.823 1.00 43.12 H new ATOM 0 HG23 VAL A 447 -7.242 2.549 -6.407 1.00 43.12 H new ATOM 721 N LEU A 448 -7.982 -1.432 -8.670 1.00 11.24 N ATOM 722 CA LEU A 448 -8.492 -2.525 -9.450 1.00 4.32 C ATOM 723 C LEU A 448 -7.531 -3.697 -9.407 1.00 44.32 C ATOM 724 O LEU A 448 -7.948 -4.857 -9.414 1.00 20.25 O ATOM 725 CB LEU A 448 -8.716 -2.059 -10.893 1.00 21.04 C ATOM 726 CG LEU A 448 -9.137 -3.122 -11.895 1.00 1.12 C ATOM 727 CD1 LEU A 448 -10.462 -3.760 -11.504 1.00 75.21 C ATOM 728 CD2 LEU A 448 -9.205 -2.539 -13.294 1.00 73.14 C ATOM 0 H LEU A 448 -7.689 -0.630 -9.228 1.00 11.24 H new ATOM 0 HA LEU A 448 -9.443 -2.855 -9.032 1.00 4.32 H new ATOM 0 HB2 LEU A 448 -9.477 -1.279 -10.885 1.00 21.04 H new ATOM 0 HB3 LEU A 448 -7.794 -1.601 -11.250 1.00 21.04 H new ATOM 0 HG LEU A 448 -8.382 -3.908 -11.888 1.00 1.12 H new ATOM 0 HD11 LEU A 448 -10.734 -4.515 -12.241 1.00 75.21 H new ATOM 0 HD12 LEU A 448 -10.366 -4.228 -10.524 1.00 75.21 H new ATOM 0 HD13 LEU A 448 -11.237 -2.995 -11.466 1.00 75.21 H new ATOM 0 HD21 LEU A 448 -9.508 -3.315 -13.997 1.00 73.14 H new ATOM 0 HD22 LEU A 448 -9.932 -1.727 -13.315 1.00 73.14 H new ATOM 0 HD23 LEU A 448 -8.224 -2.156 -13.577 1.00 73.14 H new ATOM 740 N LEU A 449 -6.255 -3.392 -9.341 1.00 41.02 N ATOM 741 CA LEU A 449 -5.236 -4.413 -9.284 1.00 24.30 C ATOM 742 C LEU A 449 -5.318 -5.117 -7.933 1.00 24.22 C ATOM 743 O LEU A 449 -5.304 -6.354 -7.855 1.00 72.21 O ATOM 744 CB LEU A 449 -3.837 -3.801 -9.470 1.00 73.13 C ATOM 745 CG LEU A 449 -3.650 -2.869 -10.675 1.00 34.04 C ATOM 746 CD1 LEU A 449 -2.208 -2.439 -10.830 1.00 74.11 C ATOM 747 CD2 LEU A 449 -4.200 -3.466 -11.954 1.00 34.34 C ATOM 0 H LEU A 449 -5.897 -2.437 -9.325 1.00 41.02 H new ATOM 0 HA LEU A 449 -5.402 -5.128 -10.090 1.00 24.30 H new ATOM 0 HB2 LEU A 449 -3.585 -3.245 -8.567 1.00 73.13 H new ATOM 0 HB3 LEU A 449 -3.117 -4.615 -9.554 1.00 73.13 H new ATOM 0 HG LEU A 449 -4.236 -1.972 -10.473 1.00 34.04 H new ATOM 0 HD11 LEU A 449 -2.116 -1.780 -11.693 1.00 74.11 H new ATOM 0 HD12 LEU A 449 -1.888 -1.909 -9.933 1.00 74.11 H new ATOM 0 HD13 LEU A 449 -1.580 -3.318 -10.975 1.00 74.11 H new ATOM 0 HD21 LEU A 449 -4.044 -2.769 -12.777 1.00 34.34 H new ATOM 0 HD22 LEU A 449 -3.686 -4.403 -12.169 1.00 34.34 H new ATOM 0 HD23 LEU A 449 -5.267 -3.656 -11.837 1.00 34.34 H new ATOM 759 N GLY A 450 -5.429 -4.309 -6.877 1.00 75.15 N ATOM 760 CA GLY A 450 -5.536 -4.826 -5.530 1.00 41.21 C ATOM 761 C GLY A 450 -6.803 -5.617 -5.332 1.00 41.22 C ATOM 762 O GLY A 450 -6.776 -6.719 -4.767 1.00 3.33 O ATOM 0 H GLY A 450 -5.446 -3.291 -6.939 1.00 75.15 H new ATOM 0 HA2 GLY A 450 -4.675 -5.459 -5.314 1.00 41.21 H new ATOM 0 HA3 GLY A 450 -5.509 -3.999 -4.820 1.00 41.21 H new ATOM 766 N LEU A 451 -7.911 -5.072 -5.808 1.00 32.21 N ATOM 767 CA LEU A 451 -9.192 -5.738 -5.712 1.00 75.54 C ATOM 768 C LEU A 451 -9.189 -7.002 -6.552 1.00 31.44 C ATOM 769 O LEU A 451 -9.717 -8.007 -6.144 1.00 61.32 O ATOM 770 CB LEU A 451 -10.335 -4.806 -6.147 1.00 2.44 C ATOM 771 CG LEU A 451 -11.753 -5.400 -6.102 1.00 23.12 C ATOM 772 CD1 LEU A 451 -12.122 -5.831 -4.691 1.00 14.42 C ATOM 773 CD2 LEU A 451 -12.762 -4.403 -6.636 1.00 53.31 C ATOM 0 H LEU A 451 -7.944 -4.162 -6.268 1.00 32.21 H new ATOM 0 HA LEU A 451 -9.358 -6.008 -4.669 1.00 75.54 H new ATOM 0 HB2 LEU A 451 -10.315 -3.920 -5.512 1.00 2.44 H new ATOM 0 HB3 LEU A 451 -10.136 -4.473 -7.165 1.00 2.44 H new ATOM 0 HG LEU A 451 -11.769 -6.285 -6.738 1.00 23.12 H new ATOM 0 HD11 LEU A 451 -13.129 -6.247 -4.689 1.00 14.42 H new ATOM 0 HD12 LEU A 451 -11.417 -6.587 -4.345 1.00 14.42 H new ATOM 0 HD13 LEU A 451 -12.085 -4.968 -4.026 1.00 14.42 H new ATOM 0 HD21 LEU A 451 -13.760 -4.839 -6.597 1.00 53.31 H new ATOM 0 HD22 LEU A 451 -12.737 -3.499 -6.028 1.00 53.31 H new ATOM 0 HD23 LEU A 451 -12.515 -4.153 -7.668 1.00 53.31 H new ATOM 785 N GLY A 452 -8.560 -6.934 -7.712 1.00 13.40 N ATOM 786 CA GLY A 452 -8.484 -8.077 -8.598 1.00 72.11 C ATOM 787 C GLY A 452 -7.697 -9.216 -7.995 1.00 5.21 C ATOM 788 O GLY A 452 -8.112 -10.376 -8.069 1.00 42.41 O ATOM 0 H GLY A 452 -8.094 -6.096 -8.061 1.00 13.40 H new ATOM 0 HA2 GLY A 452 -9.492 -8.419 -8.834 1.00 72.11 H new ATOM 0 HA3 GLY A 452 -8.021 -7.776 -9.538 1.00 72.11 H new ATOM 792 N GLY A 453 -6.571 -8.884 -7.386 1.00 70.43 N ATOM 793 CA GLY A 453 -5.749 -9.881 -6.735 1.00 22.34 C ATOM 794 C GLY A 453 -6.456 -10.496 -5.549 1.00 2.23 C ATOM 795 O GLY A 453 -6.332 -11.693 -5.289 1.00 32.41 O ATOM 0 H GLY A 453 -6.209 -7.932 -7.331 1.00 70.43 H new ATOM 0 HA2 GLY A 453 -5.489 -10.662 -7.449 1.00 22.34 H new ATOM 0 HA3 GLY A 453 -4.815 -9.425 -6.407 1.00 22.34 H new ATOM 799 N LEU A 454 -7.216 -9.673 -4.841 1.00 73.11 N ATOM 800 CA LEU A 454 -7.986 -10.119 -3.689 1.00 41.12 C ATOM 801 C LEU A 454 -9.204 -10.921 -4.150 1.00 75.34 C ATOM 802 O LEU A 454 -9.655 -11.844 -3.481 1.00 31.31 O ATOM 803 CB LEU A 454 -8.422 -8.912 -2.846 1.00 43.20 C ATOM 804 CG LEU A 454 -9.201 -9.219 -1.561 1.00 23.03 C ATOM 805 CD1 LEU A 454 -8.364 -10.052 -0.598 1.00 22.22 C ATOM 806 CD2 LEU A 454 -9.658 -7.934 -0.895 1.00 65.32 C ATOM 0 H LEU A 454 -7.316 -8.679 -5.048 1.00 73.11 H new ATOM 0 HA LEU A 454 -7.360 -10.764 -3.072 1.00 41.12 H new ATOM 0 HB2 LEU A 454 -7.531 -8.344 -2.577 1.00 43.20 H new ATOM 0 HB3 LEU A 454 -9.037 -8.264 -3.471 1.00 43.20 H new ATOM 0 HG LEU A 454 -10.082 -9.801 -1.832 1.00 23.03 H new ATOM 0 HD11 LEU A 454 -8.941 -10.255 0.304 1.00 22.22 H new ATOM 0 HD12 LEU A 454 -8.092 -10.994 -1.074 1.00 22.22 H new ATOM 0 HD13 LEU A 454 -7.459 -9.504 -0.334 1.00 22.22 H new ATOM 0 HD21 LEU A 454 -10.209 -8.172 0.015 1.00 65.32 H new ATOM 0 HD22 LEU A 454 -8.789 -7.325 -0.645 1.00 65.32 H new ATOM 0 HD23 LEU A 454 -10.304 -7.381 -1.576 1.00 65.32 H new ATOM 818 N LEU A 455 -9.724 -10.556 -5.307 1.00 65.21 N ATOM 819 CA LEU A 455 -10.875 -11.215 -5.912 1.00 44.50 C ATOM 820 C LEU A 455 -10.547 -12.658 -6.248 1.00 31.33 C ATOM 821 O LEU A 455 -11.422 -13.502 -6.241 1.00 11.35 O ATOM 822 CB LEU A 455 -11.340 -10.453 -7.167 1.00 44.10 C ATOM 823 CG LEU A 455 -12.576 -10.999 -7.896 1.00 61.21 C ATOM 824 CD1 LEU A 455 -13.801 -10.979 -6.993 1.00 43.35 C ATOM 825 CD2 LEU A 455 -12.834 -10.201 -9.162 1.00 42.21 C ATOM 0 H LEU A 455 -9.357 -9.784 -5.863 1.00 65.21 H new ATOM 0 HA LEU A 455 -11.692 -11.210 -5.191 1.00 44.50 H new ATOM 0 HB2 LEU A 455 -11.544 -9.421 -6.881 1.00 44.10 H new ATOM 0 HB3 LEU A 455 -10.512 -10.430 -7.875 1.00 44.10 H new ATOM 0 HG LEU A 455 -12.379 -12.036 -8.168 1.00 61.21 H new ATOM 0 HD11 LEU A 455 -14.660 -11.371 -7.537 1.00 43.35 H new ATOM 0 HD12 LEU A 455 -13.615 -11.596 -6.114 1.00 43.35 H new ATOM 0 HD13 LEU A 455 -14.006 -9.955 -6.681 1.00 43.35 H new ATOM 0 HD21 LEU A 455 -13.713 -10.598 -9.670 1.00 42.21 H new ATOM 0 HD22 LEU A 455 -13.005 -9.156 -8.905 1.00 42.21 H new ATOM 0 HD23 LEU A 455 -11.969 -10.276 -9.822 1.00 42.21 H new ATOM 837 N LEU A 456 -9.264 -12.929 -6.506 1.00 13.03 N ATOM 838 CA LEU A 456 -8.792 -14.275 -6.841 1.00 64.24 C ATOM 839 C LEU A 456 -9.106 -15.263 -5.724 1.00 34.32 C ATOM 840 O LEU A 456 -9.374 -16.430 -5.987 1.00 73.02 O ATOM 841 CB LEU A 456 -7.276 -14.270 -7.089 1.00 73.32 C ATOM 842 CG LEU A 456 -6.763 -13.439 -8.271 1.00 34.34 C ATOM 843 CD1 LEU A 456 -5.243 -13.461 -8.308 1.00 31.13 C ATOM 844 CD2 LEU A 456 -7.317 -13.977 -9.579 1.00 30.02 C ATOM 0 H LEU A 456 -8.527 -12.225 -6.489 1.00 13.03 H new ATOM 0 HA LEU A 456 -9.312 -14.585 -7.748 1.00 64.24 H new ATOM 0 HB2 LEU A 456 -6.787 -13.909 -6.184 1.00 73.32 H new ATOM 0 HB3 LEU A 456 -6.954 -15.301 -7.236 1.00 73.32 H new ATOM 0 HG LEU A 456 -7.102 -12.411 -8.142 1.00 34.34 H new ATOM 0 HD11 LEU A 456 -4.891 -12.867 -9.152 1.00 31.13 H new ATOM 0 HD12 LEU A 456 -4.850 -13.043 -7.381 1.00 31.13 H new ATOM 0 HD13 LEU A 456 -4.897 -14.489 -8.418 1.00 31.13 H new ATOM 0 HD21 LEU A 456 -6.943 -13.376 -10.407 1.00 30.02 H new ATOM 0 HD22 LEU A 456 -7.001 -15.012 -9.710 1.00 30.02 H new ATOM 0 HD23 LEU A 456 -8.406 -13.930 -9.560 1.00 30.02 H new ATOM 856 N LEU A 457 -9.109 -14.782 -4.483 1.00 13.50 N ATOM 857 CA LEU A 457 -9.383 -15.635 -3.330 1.00 13.43 C ATOM 858 C LEU A 457 -10.815 -16.144 -3.340 1.00 30.55 C ATOM 859 O LEU A 457 -11.073 -17.269 -2.912 1.00 75.30 O ATOM 860 CB LEU A 457 -9.103 -14.929 -1.977 1.00 4.31 C ATOM 861 CG LEU A 457 -7.639 -14.604 -1.605 1.00 54.02 C ATOM 862 CD1 LEU A 457 -7.016 -13.598 -2.547 1.00 62.44 C ATOM 863 CD2 LEU A 457 -7.556 -14.109 -0.170 1.00 64.42 C ATOM 0 H LEU A 457 -8.925 -13.806 -4.250 1.00 13.50 H new ATOM 0 HA LEU A 457 -8.697 -16.477 -3.421 1.00 13.43 H new ATOM 0 HB2 LEU A 457 -9.663 -13.994 -1.969 1.00 4.31 H new ATOM 0 HB3 LEU A 457 -9.515 -15.554 -1.185 1.00 4.31 H new ATOM 0 HG LEU A 457 -7.069 -15.528 -1.700 1.00 54.02 H new ATOM 0 HD11 LEU A 457 -5.988 -13.403 -2.243 1.00 62.44 H new ATOM 0 HD12 LEU A 457 -7.025 -13.996 -3.562 1.00 62.44 H new ATOM 0 HD13 LEU A 457 -7.586 -12.669 -2.516 1.00 62.44 H new ATOM 0 HD21 LEU A 457 -6.519 -13.884 0.078 1.00 64.42 H new ATOM 0 HD22 LEU A 457 -8.159 -13.208 -0.061 1.00 64.42 H new ATOM 0 HD23 LEU A 457 -7.931 -14.880 0.503 1.00 64.42 H new ATOM 875 N VAL A 458 -11.727 -15.328 -3.860 1.00 12.14 N ATOM 876 CA VAL A 458 -13.160 -15.639 -3.864 1.00 72.04 C ATOM 877 C VAL A 458 -13.497 -16.989 -4.567 1.00 4.13 C ATOM 878 O VAL A 458 -14.084 -17.873 -3.925 1.00 42.53 O ATOM 879 CB VAL A 458 -14.032 -14.458 -4.409 1.00 30.00 C ATOM 880 CG1 VAL A 458 -15.507 -14.819 -4.425 1.00 34.41 C ATOM 881 CG2 VAL A 458 -13.807 -13.208 -3.564 1.00 12.45 C ATOM 0 H VAL A 458 -11.498 -14.432 -4.291 1.00 12.14 H new ATOM 0 HA VAL A 458 -13.429 -15.771 -2.816 1.00 72.04 H new ATOM 0 HB VAL A 458 -13.725 -14.259 -5.436 1.00 30.00 H new ATOM 0 HG11 VAL A 458 -16.083 -13.977 -4.809 1.00 34.41 H new ATOM 0 HG12 VAL A 458 -15.662 -15.687 -5.066 1.00 34.41 H new ATOM 0 HG13 VAL A 458 -15.836 -15.052 -3.412 1.00 34.41 H new ATOM 0 HG21 VAL A 458 -14.418 -12.392 -3.951 1.00 12.45 H new ATOM 0 HG22 VAL A 458 -14.087 -13.412 -2.531 1.00 12.45 H new ATOM 0 HG23 VAL A 458 -12.755 -12.925 -3.606 1.00 12.45 H new ATOM 891 N PRO A 459 -13.133 -17.200 -5.874 1.00 25.22 N ATOM 892 CA PRO A 459 -13.398 -18.474 -6.554 1.00 74.23 C ATOM 893 C PRO A 459 -12.663 -19.623 -5.884 1.00 33.53 C ATOM 894 O PRO A 459 -13.172 -20.742 -5.816 1.00 50.21 O ATOM 895 CB PRO A 459 -12.843 -18.262 -7.963 1.00 64.33 C ATOM 896 CG PRO A 459 -12.802 -16.794 -8.131 1.00 65.32 C ATOM 897 CD PRO A 459 -12.474 -16.249 -6.785 1.00 20.24 C ATOM 0 HA PRO A 459 -14.457 -18.732 -6.536 1.00 74.23 H new ATOM 0 HB2 PRO A 459 -11.851 -18.701 -8.068 1.00 64.33 H new ATOM 0 HB3 PRO A 459 -13.480 -18.729 -8.714 1.00 64.33 H new ATOM 0 HG2 PRO A 459 -12.051 -16.504 -8.866 1.00 65.32 H new ATOM 0 HG3 PRO A 459 -13.759 -16.413 -8.486 1.00 65.32 H new ATOM 0 HD2 PRO A 459 -11.398 -16.209 -6.617 1.00 20.24 H new ATOM 0 HD3 PRO A 459 -12.855 -15.236 -6.656 1.00 20.24 H new ATOM 905 N ILE A 460 -11.475 -19.333 -5.358 1.00 42.02 N ATOM 906 CA ILE A 460 -10.666 -20.337 -4.693 1.00 22.41 C ATOM 907 C ILE A 460 -11.388 -20.891 -3.458 1.00 2.41 C ATOM 908 O ILE A 460 -11.326 -22.082 -3.189 1.00 43.42 O ATOM 909 CB ILE A 460 -9.246 -19.807 -4.332 1.00 51.52 C ATOM 910 CG1 ILE A 460 -8.505 -19.407 -5.619 1.00 72.34 C ATOM 911 CG2 ILE A 460 -8.450 -20.864 -3.573 1.00 23.14 C ATOM 912 CD1 ILE A 460 -7.110 -18.856 -5.396 1.00 34.31 C ATOM 0 H ILE A 460 -11.054 -18.404 -5.383 1.00 42.02 H new ATOM 0 HA ILE A 460 -10.523 -21.156 -5.398 1.00 22.41 H new ATOM 0 HB ILE A 460 -9.350 -18.934 -3.687 1.00 51.52 H new ATOM 0 HG12 ILE A 460 -8.438 -20.278 -6.270 1.00 72.34 H new ATOM 0 HG13 ILE A 460 -9.097 -18.659 -6.147 1.00 72.34 H new ATOM 0 HG21 ILE A 460 -7.462 -20.472 -3.332 1.00 23.14 H new ATOM 0 HG22 ILE A 460 -8.973 -21.122 -2.652 1.00 23.14 H new ATOM 0 HG23 ILE A 460 -8.345 -21.755 -4.192 1.00 23.14 H new ATOM 0 HD11 ILE A 460 -6.662 -18.600 -6.356 1.00 34.31 H new ATOM 0 HD12 ILE A 460 -7.167 -17.964 -4.773 1.00 34.31 H new ATOM 0 HD13 ILE A 460 -6.497 -19.608 -4.898 1.00 34.31 H new ATOM 924 N ILE A 461 -12.119 -20.031 -2.753 1.00 22.55 N ATOM 925 CA ILE A 461 -12.907 -20.463 -1.594 1.00 51.12 C ATOM 926 C ILE A 461 -13.910 -21.542 -2.021 1.00 43.42 C ATOM 927 O ILE A 461 -14.084 -22.550 -1.342 1.00 21.11 O ATOM 928 CB ILE A 461 -13.668 -19.274 -0.935 1.00 33.41 C ATOM 929 CG1 ILE A 461 -12.677 -18.209 -0.465 1.00 21.34 C ATOM 930 CG2 ILE A 461 -14.516 -19.761 0.237 1.00 10.13 C ATOM 931 CD1 ILE A 461 -13.325 -16.981 0.131 1.00 1.40 C ATOM 0 H ILE A 461 -12.184 -19.034 -2.960 1.00 22.55 H new ATOM 0 HA ILE A 461 -12.215 -20.868 -0.856 1.00 51.12 H new ATOM 0 HB ILE A 461 -14.331 -18.834 -1.680 1.00 33.41 H new ATOM 0 HG12 ILE A 461 -12.011 -18.650 0.276 1.00 21.34 H new ATOM 0 HG13 ILE A 461 -12.058 -17.906 -1.310 1.00 21.34 H new ATOM 0 HG21 ILE A 461 -15.039 -18.916 0.684 1.00 10.13 H new ATOM 0 HG22 ILE A 461 -15.243 -20.491 -0.119 1.00 10.13 H new ATOM 0 HG23 ILE A 461 -13.872 -20.225 0.984 1.00 10.13 H new ATOM 0 HD11 ILE A 461 -12.553 -16.276 0.439 1.00 1.40 H new ATOM 0 HD12 ILE A 461 -13.969 -16.512 -0.613 1.00 1.40 H new ATOM 0 HD13 ILE A 461 -13.921 -17.268 0.998 1.00 1.40 H new ATOM 943 N CYS A 462 -14.506 -21.351 -3.188 1.00 72.14 N ATOM 944 CA CYS A 462 -15.487 -22.286 -3.704 1.00 24.52 C ATOM 945 C CYS A 462 -14.785 -23.570 -4.153 1.00 1.01 C ATOM 946 O CYS A 462 -15.336 -24.672 -4.043 1.00 50.34 O ATOM 947 CB CYS A 462 -16.278 -21.657 -4.858 1.00 63.32 C ATOM 948 SG CYS A 462 -17.587 -22.702 -5.531 1.00 12.52 S ATOM 0 H CYS A 462 -14.325 -20.552 -3.796 1.00 72.14 H new ATOM 0 HA CYS A 462 -16.196 -22.533 -2.914 1.00 24.52 H new ATOM 0 HB2 CYS A 462 -16.719 -20.723 -4.511 1.00 63.32 H new ATOM 0 HB3 CYS A 462 -15.585 -21.404 -5.660 1.00 63.32 H new ATOM 0 HG CYS A 462 -18.191 -22.074 -6.496 1.00 12.52 H new ATOM 954 N GLN A 463 -13.549 -23.422 -4.624 1.00 74.03 N ATOM 955 CA GLN A 463 -12.738 -24.563 -5.022 1.00 10.53 C ATOM 956 C GLN A 463 -12.490 -25.432 -3.802 1.00 60.35 C ATOM 957 O GLN A 463 -12.589 -26.655 -3.863 1.00 44.24 O ATOM 958 CB GLN A 463 -11.407 -24.104 -5.628 1.00 3.23 C ATOM 959 CG GLN A 463 -11.545 -23.235 -6.871 1.00 75.42 C ATOM 960 CD GLN A 463 -12.249 -23.919 -8.031 1.00 55.14 C ATOM 961 OE1 GLN A 463 -12.073 -25.212 -8.175 1.00 40.23 O flip ATOM 962 NE2 GLN A 463 -12.925 -23.265 -8.817 1.00 74.12 N flip ATOM 0 H GLN A 463 -13.089 -22.519 -4.738 1.00 74.03 H new ATOM 0 HA GLN A 463 -13.268 -25.134 -5.784 1.00 10.53 H new ATOM 0 HB2 GLN A 463 -10.850 -23.549 -4.872 1.00 3.23 H new ATOM 0 HB3 GLN A 463 -10.814 -24.984 -5.879 1.00 3.23 H new ATOM 0 HG2 GLN A 463 -12.094 -22.330 -6.610 1.00 75.42 H new ATOM 0 HG3 GLN A 463 -10.552 -22.923 -7.195 1.00 75.42 H new ATOM 0 HE21 GLN A 463 -13.042 -22.262 -8.677 1.00 74.12 H new ATOM 0 HE22 GLN A 463 -13.370 -23.724 -9.611 1.00 74.12 H new ATOM 971 N LEU A 464 -12.197 -24.777 -2.686 1.00 34.42 N ATOM 972 CA LEU A 464 -12.030 -25.445 -1.410 1.00 73.04 C ATOM 973 C LEU A 464 -13.313 -26.094 -0.937 1.00 54.03 C ATOM 974 O LEU A 464 -13.280 -27.191 -0.417 1.00 65.21 O ATOM 975 CB LEU A 464 -11.456 -24.514 -0.337 1.00 71.12 C ATOM 976 CG LEU A 464 -9.923 -24.337 -0.295 1.00 33.53 C ATOM 977 CD1 LEU A 464 -9.365 -23.815 -1.597 1.00 52.24 C ATOM 978 CD2 LEU A 464 -9.533 -23.434 0.856 1.00 22.05 C ATOM 0 H LEU A 464 -12.069 -23.766 -2.644 1.00 34.42 H new ATOM 0 HA LEU A 464 -11.301 -26.238 -1.575 1.00 73.04 H new ATOM 0 HB2 LEU A 464 -11.905 -23.530 -0.470 1.00 71.12 H new ATOM 0 HB3 LEU A 464 -11.779 -24.883 0.637 1.00 71.12 H new ATOM 0 HG LEU A 464 -9.487 -25.324 -0.141 1.00 33.53 H new ATOM 0 HD11 LEU A 464 -8.283 -23.709 -1.513 1.00 52.24 H new ATOM 0 HD12 LEU A 464 -9.600 -24.514 -2.400 1.00 52.24 H new ATOM 0 HD13 LEU A 464 -9.808 -22.844 -1.820 1.00 52.24 H new ATOM 0 HD21 LEU A 464 -8.450 -23.317 0.875 1.00 22.05 H new ATOM 0 HD22 LEU A 464 -10.001 -22.458 0.728 1.00 22.05 H new ATOM 0 HD23 LEU A 464 -9.867 -23.876 1.795 1.00 22.05 H new ATOM 990 N ARG A 465 -14.454 -25.433 -1.154 1.00 44.52 N ATOM 991 CA ARG A 465 -15.755 -26.004 -0.748 1.00 63.23 C ATOM 992 C ARG A 465 -16.034 -27.285 -1.535 1.00 64.13 C ATOM 993 O ARG A 465 -16.775 -28.159 -1.092 1.00 2.43 O ATOM 994 CB ARG A 465 -16.914 -25.022 -0.992 1.00 60.24 C ATOM 995 CG ARG A 465 -16.776 -23.662 -0.330 1.00 22.24 C ATOM 996 CD ARG A 465 -16.524 -23.769 1.156 1.00 51.32 C ATOM 997 NE ARG A 465 -16.510 -22.454 1.792 1.00 42.23 N ATOM 998 CZ ARG A 465 -15.865 -22.149 2.919 1.00 54.23 C ATOM 999 NH1 ARG A 465 -15.121 -23.061 3.534 1.00 22.30 N ATOM 1000 NH2 ARG A 465 -15.968 -20.929 3.429 1.00 3.13 N ATOM 0 H ARG A 465 -14.511 -24.518 -1.600 1.00 44.52 H new ATOM 0 HA ARG A 465 -15.693 -26.215 0.320 1.00 63.23 H new ATOM 0 HB2 ARG A 465 -17.020 -24.873 -2.067 1.00 60.24 H new ATOM 0 HB3 ARG A 465 -17.837 -25.484 -0.642 1.00 60.24 H new ATOM 0 HG2 ARG A 465 -15.957 -23.115 -0.796 1.00 22.24 H new ATOM 0 HG3 ARG A 465 -17.684 -23.083 -0.501 1.00 22.24 H new ATOM 0 HD2 ARG A 465 -17.296 -24.388 1.614 1.00 51.32 H new ATOM 0 HD3 ARG A 465 -15.571 -24.269 1.330 1.00 51.32 H new ATOM 0 HE ARG A 465 -17.036 -21.708 1.337 1.00 42.23 H new ATOM 0 HH11 ARG A 465 -15.041 -24.000 3.145 1.00 22.30 H new ATOM 0 HH12 ARG A 465 -14.630 -22.822 4.396 1.00 22.30 H new ATOM 0 HH21 ARG A 465 -16.539 -20.227 2.960 1.00 3.13 H new ATOM 0 HH22 ARG A 465 -15.476 -20.693 4.291 1.00 3.13 H new ATOM 1014 N SER A 466 -15.410 -27.395 -2.683 1.00 50.50 N ATOM 1015 CA SER A 466 -15.544 -28.549 -3.516 1.00 24.23 C ATOM 1016 C SER A 466 -14.504 -29.610 -3.093 1.00 3.32 C ATOM 1017 O SER A 466 -14.719 -30.806 -3.263 1.00 30.31 O ATOM 1018 CB SER A 466 -15.378 -28.128 -4.988 1.00 13.14 C ATOM 1019 OG SER A 466 -15.610 -29.197 -5.888 1.00 61.24 O ATOM 0 H SER A 466 -14.792 -26.677 -3.061 1.00 50.50 H new ATOM 0 HA SER A 466 -16.533 -28.994 -3.404 1.00 24.23 H new ATOM 0 HB2 SER A 466 -16.069 -27.314 -5.210 1.00 13.14 H new ATOM 0 HB3 SER A 466 -14.370 -27.741 -5.140 1.00 13.14 H new ATOM 0 HG SER A 466 -15.494 -28.881 -6.808 1.00 61.24 H new ATOM 1025 N GLN A 467 -13.394 -29.155 -2.505 1.00 71.15 N ATOM 1026 CA GLN A 467 -12.354 -30.058 -2.006 1.00 52.21 C ATOM 1027 C GLN A 467 -12.768 -30.649 -0.674 1.00 72.32 C ATOM 1028 O GLN A 467 -12.204 -31.642 -0.219 1.00 14.12 O ATOM 1029 CB GLN A 467 -11.007 -29.338 -1.858 1.00 2.23 C ATOM 1030 CG GLN A 467 -10.433 -28.816 -3.161 1.00 50.31 C ATOM 1031 CD GLN A 467 -10.176 -29.917 -4.167 1.00 73.42 C ATOM 1032 OE1 GLN A 467 -11.045 -30.261 -4.970 1.00 74.00 O ATOM 1033 NE2 GLN A 467 -9.000 -30.474 -4.132 1.00 64.31 N ATOM 0 H GLN A 467 -13.193 -28.165 -2.363 1.00 71.15 H new ATOM 0 HA GLN A 467 -12.233 -30.858 -2.736 1.00 52.21 H new ATOM 0 HB2 GLN A 467 -11.128 -28.503 -1.168 1.00 2.23 H new ATOM 0 HB3 GLN A 467 -10.289 -30.023 -1.407 1.00 2.23 H new ATOM 0 HG2 GLN A 467 -11.122 -28.089 -3.592 1.00 50.31 H new ATOM 0 HG3 GLN A 467 -9.500 -28.290 -2.958 1.00 50.31 H new ATOM 0 HE21 GLN A 467 -8.307 -30.161 -3.452 1.00 64.31 H new ATOM 0 HE22 GLN A 467 -8.771 -31.224 -4.785 1.00 64.31 H new ATOM 1042 N GLU A 468 -13.736 -30.016 -0.044 1.00 24.03 N ATOM 1043 CA GLU A 468 -14.290 -30.493 1.208 1.00 73.43 C ATOM 1044 C GLU A 468 -15.054 -31.784 0.984 1.00 1.21 C ATOM 1045 O GLU A 468 -15.010 -32.683 1.817 1.00 71.25 O ATOM 1046 CB GLU A 468 -15.214 -29.433 1.822 1.00 25.22 C ATOM 1047 CG GLU A 468 -14.515 -28.160 2.259 1.00 65.24 C ATOM 1048 CD GLU A 468 -13.493 -28.403 3.336 1.00 44.34 C ATOM 1049 OE1 GLU A 468 -12.316 -28.628 3.015 1.00 64.11 O ATOM 1050 OE2 GLU A 468 -13.856 -28.379 4.536 1.00 5.53 O ATOM 0 H GLU A 468 -14.162 -29.155 -0.386 1.00 24.03 H new ATOM 0 HA GLU A 468 -13.470 -30.684 1.900 1.00 73.43 H new ATOM 0 HB2 GLU A 468 -15.985 -29.177 1.095 1.00 25.22 H new ATOM 0 HB3 GLU A 468 -15.721 -29.867 2.684 1.00 25.22 H new ATOM 0 HG2 GLU A 468 -14.028 -27.703 1.398 1.00 65.24 H new ATOM 0 HG3 GLU A 468 -15.257 -27.448 2.621 1.00 65.24 H new