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 Set 1.1: A 442 HIS : no HE2:sc= 0.0105 X(o=0.023,f=0) USER MOD Set 1.2: A 446 TYR OH : rot 119:sc= 0.0121 USER MOD Single : A 404 SER OG : rot 28:sc= 0.141 USER MOD Single : A 405 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00625) USER MOD Single : A 418 GLN : amide:sc= -0.643 K(o=-0.64,f=-1.8) USER MOD Single : A 419 SER OG : rot 171:sc= 0.0259 USER MOD Single : A 437 MET CE :methyl 158:sc= -0.224 (180deg=-0.838) USER MOD Single : A 439 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.55) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -0.0278 X(o=-0.028,f=-0.4) USER MOD Single : A 462 CYS SG : rot 71:sc= 1.25 USER MOD Single : A 463 GLN : amide:sc= -0.115 K(o=-0.11,f=-0.64) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 404 -26.355 15.284 1.075 1.00 32.32 N ATOM 11 CA SER A 404 -25.508 16.219 1.780 1.00 0.22 C ATOM 12 C SER A 404 -25.581 16.038 3.307 1.00 20.40 C ATOM 13 O SER A 404 -24.937 16.761 4.047 1.00 53.32 O ATOM 14 CB SER A 404 -25.876 17.646 1.387 1.00 11.43 C ATOM 15 OG SER A 404 -25.807 17.804 -0.023 1.00 24.50 O ATOM 0 HA SER A 404 -24.477 16.017 1.490 1.00 0.22 H new ATOM 0 HB2 SER A 404 -26.882 17.879 1.737 1.00 11.43 H new ATOM 0 HB3 SER A 404 -25.199 18.350 1.872 1.00 11.43 H new ATOM 0 HG SER A 404 -25.988 16.944 -0.458 1.00 24.50 H new ATOM 21 N LYS A 405 -26.348 15.048 3.764 1.00 41.23 N ATOM 22 CA LYS A 405 -26.508 14.796 5.211 1.00 61.31 C ATOM 23 C LYS A 405 -25.191 14.387 5.877 1.00 24.22 C ATOM 24 O LYS A 405 -24.988 14.603 7.069 1.00 5.10 O ATOM 25 CB LYS A 405 -27.618 13.750 5.543 1.00 63.43 C ATOM 26 CG LYS A 405 -27.283 12.310 5.193 1.00 54.53 C ATOM 27 CD LYS A 405 -27.014 12.165 3.737 1.00 23.41 C ATOM 28 CE LYS A 405 -26.531 10.820 3.377 1.00 20.23 C ATOM 29 NZ LYS A 405 -27.548 9.760 3.590 1.00 1.23 N ATOM 0 H LYS A 405 -26.868 14.407 3.165 1.00 41.23 H new ATOM 0 HA LYS A 405 -26.829 15.752 5.625 1.00 61.31 H new ATOM 0 HB2 LYS A 405 -27.838 13.805 6.609 1.00 63.43 H new ATOM 0 HB3 LYS A 405 -28.529 14.032 5.015 1.00 63.43 H new ATOM 0 HG2 LYS A 405 -26.411 11.987 5.762 1.00 54.53 H new ATOM 0 HG3 LYS A 405 -28.110 11.660 5.480 1.00 54.53 H new ATOM 0 HD2 LYS A 405 -27.926 12.380 3.180 1.00 23.41 H new ATOM 0 HD3 LYS A 405 -26.274 12.905 3.433 1.00 23.41 H new ATOM 0 HE2 LYS A 405 -26.226 10.818 2.330 1.00 20.23 H new ATOM 0 HE3 LYS A 405 -25.645 10.589 3.968 1.00 20.23 H new ATOM 0 HZ1 LYS A 405 -27.156 8.840 3.304 1.00 1.23 H new ATOM 0 HZ2 LYS A 405 -27.809 9.727 4.596 1.00 1.23 H new ATOM 0 HZ3 LYS A 405 -28.392 9.969 3.020 1.00 1.23 H new ATOM 43 N ILE A 406 -24.302 13.822 5.096 1.00 64.42 N ATOM 44 CA ILE A 406 -23.055 13.314 5.617 1.00 53.53 C ATOM 45 C ILE A 406 -21.931 14.363 5.481 1.00 31.12 C ATOM 46 O ILE A 406 -20.869 14.237 6.077 1.00 32.45 O ATOM 47 CB ILE A 406 -22.679 11.977 4.911 1.00 3.15 C ATOM 48 CG1 ILE A 406 -21.405 11.353 5.508 1.00 3.23 C ATOM 49 CG2 ILE A 406 -22.538 12.184 3.409 1.00 50.55 C ATOM 50 CD1 ILE A 406 -21.026 10.018 4.899 1.00 34.44 C ATOM 0 H ILE A 406 -24.420 13.702 4.090 1.00 64.42 H new ATOM 0 HA ILE A 406 -23.180 13.110 6.680 1.00 53.53 H new ATOM 0 HB ILE A 406 -23.492 11.272 5.085 1.00 3.15 H new ATOM 0 HG12 ILE A 406 -20.576 12.049 5.376 1.00 3.23 H new ATOM 0 HG13 ILE A 406 -21.545 11.224 6.581 1.00 3.23 H new ATOM 0 HG21 ILE A 406 -22.275 11.239 2.935 1.00 50.55 H new ATOM 0 HG22 ILE A 406 -23.482 12.544 3.001 1.00 50.55 H new ATOM 0 HG23 ILE A 406 -21.755 12.917 3.215 1.00 50.55 H new ATOM 0 HD11 ILE A 406 -20.118 9.646 5.374 1.00 34.44 H new ATOM 0 HD12 ILE A 406 -21.835 9.304 5.054 1.00 34.44 H new ATOM 0 HD13 ILE A 406 -20.852 10.142 3.830 1.00 34.44 H new ATOM 62 N GLU A 407 -22.204 15.422 4.750 1.00 53.23 N ATOM 63 CA GLU A 407 -21.213 16.465 4.515 1.00 24.11 C ATOM 64 C GLU A 407 -20.800 17.191 5.817 1.00 4.24 C ATOM 65 O GLU A 407 -19.606 17.337 6.076 1.00 43.22 O ATOM 66 CB GLU A 407 -21.668 17.434 3.427 1.00 71.34 C ATOM 67 CG GLU A 407 -21.955 16.743 2.106 1.00 13.03 C ATOM 68 CD GLU A 407 -20.768 15.980 1.576 1.00 50.43 C ATOM 69 OE1 GLU A 407 -19.911 16.586 0.902 1.00 40.30 O ATOM 70 OE2 GLU A 407 -20.671 14.765 1.812 1.00 60.40 O ATOM 0 H GLU A 407 -23.106 15.589 4.304 1.00 53.23 H new ATOM 0 HA GLU A 407 -20.313 15.973 4.148 1.00 24.11 H new ATOM 0 HB2 GLU A 407 -22.565 17.954 3.762 1.00 71.34 H new ATOM 0 HB3 GLU A 407 -20.898 18.191 3.276 1.00 71.34 H new ATOM 0 HG2 GLU A 407 -22.794 16.058 2.234 1.00 13.03 H new ATOM 0 HG3 GLU A 407 -22.261 17.487 1.371 1.00 13.03 H new ATOM 77 N PRO A 408 -21.770 17.648 6.683 1.00 30.14 N ATOM 78 CA PRO A 408 -21.431 18.243 7.985 1.00 31.42 C ATOM 79 C PRO A 408 -20.779 17.213 8.929 1.00 14.54 C ATOM 80 O PRO A 408 -20.177 17.568 9.931 1.00 31.01 O ATOM 81 CB PRO A 408 -22.787 18.690 8.546 1.00 4.11 C ATOM 82 CG PRO A 408 -23.779 17.851 7.830 1.00 21.24 C ATOM 83 CD PRO A 408 -23.234 17.681 6.454 1.00 63.34 C ATOM 0 HA PRO A 408 -20.711 19.056 7.888 1.00 31.42 H new ATOM 0 HB2 PRO A 408 -22.841 18.536 9.624 1.00 4.11 H new ATOM 0 HB3 PRO A 408 -22.961 19.751 8.366 1.00 4.11 H new ATOM 0 HG2 PRO A 408 -23.908 16.888 8.323 1.00 21.24 H new ATOM 0 HG3 PRO A 408 -24.757 18.331 7.809 1.00 21.24 H new ATOM 0 HD2 PRO A 408 -23.591 16.763 5.988 1.00 63.34 H new ATOM 0 HD3 PRO A 408 -23.523 18.504 5.800 1.00 63.34 H new ATOM 91 N VAL A 409 -20.906 15.941 8.578 1.00 12.14 N ATOM 92 CA VAL A 409 -20.316 14.842 9.341 1.00 50.55 C ATOM 93 C VAL A 409 -18.838 14.720 8.965 1.00 22.52 C ATOM 94 O VAL A 409 -17.996 14.338 9.777 1.00 10.32 O ATOM 95 CB VAL A 409 -21.050 13.499 9.042 1.00 2.14 C ATOM 96 CG1 VAL A 409 -20.476 12.345 9.859 1.00 71.23 C ATOM 97 CG2 VAL A 409 -22.543 13.637 9.286 1.00 3.04 C ATOM 0 H VAL A 409 -21.423 15.637 7.753 1.00 12.14 H new ATOM 0 HA VAL A 409 -20.418 15.052 10.406 1.00 50.55 H new ATOM 0 HB VAL A 409 -20.889 13.267 7.989 1.00 2.14 H new ATOM 0 HG11 VAL A 409 -21.015 11.428 9.621 1.00 71.23 H new ATOM 0 HG12 VAL A 409 -19.420 12.219 9.618 1.00 71.23 H new ATOM 0 HG13 VAL A 409 -20.582 12.563 10.922 1.00 71.23 H new ATOM 0 HG21 VAL A 409 -23.036 12.689 9.071 1.00 3.04 H new ATOM 0 HG22 VAL A 409 -22.718 13.910 10.327 1.00 3.04 H new ATOM 0 HG23 VAL A 409 -22.948 14.412 8.635 1.00 3.04 H new ATOM 107 N VAL A 410 -18.531 15.080 7.728 1.00 53.41 N ATOM 108 CA VAL A 410 -17.165 15.069 7.231 1.00 10.43 C ATOM 109 C VAL A 410 -16.335 16.129 7.953 1.00 53.23 C ATOM 110 O VAL A 410 -15.144 15.949 8.166 1.00 73.51 O ATOM 111 CB VAL A 410 -17.109 15.321 5.691 1.00 42.22 C ATOM 112 CG1 VAL A 410 -15.673 15.335 5.179 1.00 0.10 C ATOM 113 CG2 VAL A 410 -17.910 14.268 4.948 1.00 43.21 C ATOM 0 H VAL A 410 -19.221 15.387 7.042 1.00 53.41 H new ATOM 0 HA VAL A 410 -16.752 14.080 7.428 1.00 10.43 H new ATOM 0 HB VAL A 410 -17.547 16.302 5.505 1.00 42.22 H new ATOM 0 HG11 VAL A 410 -15.672 15.513 4.104 1.00 0.10 H new ATOM 0 HG12 VAL A 410 -15.116 16.128 5.679 1.00 0.10 H new ATOM 0 HG13 VAL A 410 -15.203 14.374 5.388 1.00 0.10 H new ATOM 0 HG21 VAL A 410 -17.859 14.461 3.876 1.00 43.21 H new ATOM 0 HG22 VAL A 410 -17.498 13.281 5.159 1.00 43.21 H new ATOM 0 HG23 VAL A 410 -18.950 14.304 5.274 1.00 43.21 H new ATOM 123 N LEU A 411 -16.993 17.216 8.350 1.00 61.44 N ATOM 124 CA LEU A 411 -16.332 18.321 9.041 1.00 51.41 C ATOM 125 C LEU A 411 -15.512 17.886 10.270 1.00 43.14 C ATOM 126 O LEU A 411 -14.297 18.106 10.294 1.00 4.14 O ATOM 127 CB LEU A 411 -17.304 19.437 9.403 1.00 70.23 C ATOM 128 CG LEU A 411 -17.945 20.182 8.236 1.00 42.25 C ATOM 129 CD1 LEU A 411 -18.867 21.250 8.754 1.00 40.21 C ATOM 130 CD2 LEU A 411 -16.885 20.793 7.328 1.00 65.10 C ATOM 0 H LEU A 411 -17.993 17.356 8.203 1.00 61.44 H new ATOM 0 HA LEU A 411 -15.616 18.714 8.319 1.00 51.41 H new ATOM 0 HB2 LEU A 411 -18.099 19.012 10.016 1.00 70.23 H new ATOM 0 HB3 LEU A 411 -16.777 20.162 10.023 1.00 70.23 H new ATOM 0 HG LEU A 411 -18.521 19.468 7.647 1.00 42.25 H new ATOM 0 HD11 LEU A 411 -19.321 21.777 7.915 1.00 40.21 H new ATOM 0 HD12 LEU A 411 -19.649 20.793 9.361 1.00 40.21 H new ATOM 0 HD13 LEU A 411 -18.301 21.955 9.363 1.00 40.21 H new ATOM 0 HD21 LEU A 411 -17.370 21.318 6.505 1.00 65.10 H new ATOM 0 HD22 LEU A 411 -16.278 21.496 7.899 1.00 65.10 H new ATOM 0 HD23 LEU A 411 -16.248 20.003 6.930 1.00 65.10 H new ATOM 142 N PRO A 412 -16.125 17.268 11.321 1.00 30.13 N ATOM 143 CA PRO A 412 -15.362 16.848 12.473 1.00 23.23 C ATOM 144 C PRO A 412 -14.470 15.642 12.144 1.00 72.13 C ATOM 145 O PRO A 412 -13.401 15.490 12.707 1.00 4.40 O ATOM 146 CB PRO A 412 -16.422 16.478 13.511 1.00 74.32 C ATOM 147 CG PRO A 412 -17.607 16.098 12.708 1.00 20.31 C ATOM 148 CD PRO A 412 -17.567 16.963 11.486 1.00 21.11 C ATOM 0 HA PRO A 412 -14.685 17.626 12.825 1.00 23.23 H new ATOM 0 HB2 PRO A 412 -16.089 15.654 14.143 1.00 74.32 H new ATOM 0 HB3 PRO A 412 -16.642 17.317 14.171 1.00 74.32 H new ATOM 0 HG2 PRO A 412 -17.576 15.042 12.440 1.00 20.31 H new ATOM 0 HG3 PRO A 412 -18.527 16.257 13.270 1.00 20.31 H new ATOM 0 HD2 PRO A 412 -17.969 16.445 10.615 1.00 21.11 H new ATOM 0 HD3 PRO A 412 -18.156 17.871 11.618 1.00 21.11 H new ATOM 156 N LEU A 413 -14.923 14.806 11.203 1.00 60.24 N ATOM 157 CA LEU A 413 -14.222 13.630 10.789 1.00 54.53 C ATOM 158 C LEU A 413 -12.851 14.019 10.212 1.00 4.21 C ATOM 159 O LEU A 413 -11.817 13.453 10.592 1.00 63.50 O ATOM 160 CB LEU A 413 -15.089 12.963 9.727 1.00 64.51 C ATOM 161 CG LEU A 413 -14.831 11.500 9.426 1.00 74.41 C ATOM 162 CD1 LEU A 413 -15.931 10.965 8.543 1.00 41.45 C ATOM 163 CD2 LEU A 413 -13.484 11.256 8.775 1.00 63.03 C ATOM 0 H LEU A 413 -15.805 14.949 10.711 1.00 60.24 H new ATOM 0 HA LEU A 413 -14.044 12.951 11.623 1.00 54.53 H new ATOM 0 HB2 LEU A 413 -16.131 13.064 10.032 1.00 64.51 H new ATOM 0 HB3 LEU A 413 -14.973 13.522 8.799 1.00 64.51 H new ATOM 0 HG LEU A 413 -14.818 10.974 10.381 1.00 74.41 H new ATOM 0 HD11 LEU A 413 -15.745 9.913 8.327 1.00 41.45 H new ATOM 0 HD12 LEU A 413 -16.889 11.067 9.053 1.00 41.45 H new ATOM 0 HD13 LEU A 413 -15.955 11.528 7.610 1.00 41.45 H new ATOM 0 HD21 LEU A 413 -13.360 10.190 8.585 1.00 63.03 H new ATOM 0 HD22 LEU A 413 -13.431 11.801 7.833 1.00 63.03 H new ATOM 0 HD23 LEU A 413 -12.691 11.601 9.439 1.00 63.03 H new ATOM 175 N LEU A 414 -12.859 15.023 9.350 1.00 65.13 N ATOM 176 CA LEU A 414 -11.654 15.541 8.721 1.00 1.02 C ATOM 177 C LEU A 414 -10.775 16.192 9.782 1.00 2.02 C ATOM 178 O LEU A 414 -9.529 16.127 9.732 1.00 45.54 O ATOM 179 CB LEU A 414 -12.052 16.575 7.655 1.00 15.00 C ATOM 180 CG LEU A 414 -10.925 17.205 6.840 1.00 10.14 C ATOM 181 CD1 LEU A 414 -10.203 16.152 6.020 1.00 72.45 C ATOM 182 CD2 LEU A 414 -11.476 18.301 5.939 1.00 63.35 C ATOM 0 H LEU A 414 -13.711 15.506 9.064 1.00 65.13 H new ATOM 0 HA LEU A 414 -11.098 14.732 8.247 1.00 1.02 H new ATOM 0 HB2 LEU A 414 -12.744 16.097 6.962 1.00 15.00 H new ATOM 0 HB3 LEU A 414 -12.600 17.377 8.150 1.00 15.00 H new ATOM 0 HG LEU A 414 -10.207 17.650 7.529 1.00 10.14 H new ATOM 0 HD11 LEU A 414 -9.404 16.622 5.447 1.00 72.45 H new ATOM 0 HD12 LEU A 414 -9.779 15.400 6.686 1.00 72.45 H new ATOM 0 HD13 LEU A 414 -10.907 15.676 5.338 1.00 72.45 H new ATOM 0 HD21 LEU A 414 -10.662 18.742 5.363 1.00 63.35 H new ATOM 0 HD22 LEU A 414 -12.213 17.876 5.258 1.00 63.35 H new ATOM 0 HD23 LEU A 414 -11.948 19.071 6.549 1.00 63.35 H new ATOM 194 N TRP A 415 -11.435 16.795 10.751 1.00 45.45 N ATOM 195 CA TRP A 415 -10.777 17.442 11.851 1.00 2.32 C ATOM 196 C TRP A 415 -10.021 16.408 12.693 1.00 32.54 C ATOM 197 O TRP A 415 -8.917 16.685 13.187 1.00 52.31 O ATOM 198 CB TRP A 415 -11.807 18.190 12.716 1.00 10.42 C ATOM 199 CG TRP A 415 -11.209 18.999 13.825 1.00 41.15 C ATOM 200 CD1 TRP A 415 -10.868 20.311 13.768 1.00 62.12 C ATOM 201 CD2 TRP A 415 -10.881 18.558 15.157 1.00 24.02 C ATOM 202 NE1 TRP A 415 -10.340 20.709 14.962 1.00 31.04 N ATOM 203 CE2 TRP A 415 -10.340 19.659 15.832 1.00 31.41 C ATOM 204 CE3 TRP A 415 -10.991 17.341 15.836 1.00 23.15 C ATOM 205 CZ2 TRP A 415 -9.908 19.587 17.152 1.00 14.10 C ATOM 206 CZ3 TRP A 415 -10.564 17.271 17.144 1.00 42.34 C ATOM 207 CH2 TRP A 415 -10.029 18.388 17.792 1.00 30.53 C ATOM 0 H TRP A 415 -12.453 16.846 10.790 1.00 45.45 H new ATOM 0 HA TRP A 415 -10.060 18.164 11.461 1.00 2.32 H new ATOM 0 HB2 TRP A 415 -12.391 18.850 12.075 1.00 10.42 H new ATOM 0 HB3 TRP A 415 -12.500 17.465 13.144 1.00 10.42 H new ATOM 0 HD1 TRP A 415 -10.996 20.947 12.905 1.00 62.12 H new ATOM 0 HE1 TRP A 415 -9.998 21.647 15.171 1.00 31.04 H new ATOM 0 HE3 TRP A 415 -11.403 16.472 15.344 1.00 23.15 H new ATOM 0 HZ2 TRP A 415 -9.492 20.449 17.652 1.00 14.10 H new ATOM 0 HZ3 TRP A 415 -10.644 16.336 17.678 1.00 42.34 H new ATOM 0 HH2 TRP A 415 -9.705 18.300 18.819 1.00 30.53 H new ATOM 218 N PHE A 416 -10.584 15.199 12.814 1.00 51.44 N ATOM 219 CA PHE A 416 -9.970 14.165 13.642 1.00 10.12 C ATOM 220 C PHE A 416 -8.679 13.699 13.036 1.00 14.51 C ATOM 221 O PHE A 416 -7.776 13.247 13.753 1.00 61.34 O ATOM 222 CB PHE A 416 -10.876 12.940 13.885 1.00 65.32 C ATOM 223 CG PHE A 416 -12.182 13.209 14.581 1.00 32.34 C ATOM 224 CD1 PHE A 416 -12.233 13.948 15.749 1.00 11.00 C ATOM 225 CD2 PHE A 416 -13.359 12.696 14.069 1.00 61.24 C ATOM 226 CE1 PHE A 416 -13.440 14.174 16.383 1.00 10.15 C ATOM 227 CE2 PHE A 416 -14.565 12.921 14.697 1.00 10.10 C ATOM 228 CZ PHE A 416 -14.607 13.662 15.856 1.00 44.05 C ATOM 0 H PHE A 416 -11.451 14.920 12.355 1.00 51.44 H new ATOM 0 HA PHE A 416 -9.795 14.636 14.609 1.00 10.12 H new ATOM 0 HB2 PHE A 416 -11.090 12.475 12.922 1.00 65.32 H new ATOM 0 HB3 PHE A 416 -10.318 12.212 14.473 1.00 65.32 H new ATOM 0 HD1 PHE A 416 -11.323 14.351 16.169 1.00 11.00 H new ATOM 0 HD2 PHE A 416 -13.333 12.110 13.162 1.00 61.24 H new ATOM 0 HE1 PHE A 416 -13.469 14.753 17.294 1.00 10.15 H new ATOM 0 HE2 PHE A 416 -15.476 12.517 14.280 1.00 10.10 H new ATOM 0 HZ PHE A 416 -15.550 13.842 16.351 1.00 44.05 H new ATOM 238 N GLU A 417 -8.588 13.810 11.730 1.00 71.33 N ATOM 239 CA GLU A 417 -7.421 13.396 11.019 1.00 40.54 C ATOM 240 C GLU A 417 -6.300 14.376 11.228 1.00 61.22 C ATOM 241 O GLU A 417 -5.197 13.996 11.596 1.00 3.12 O ATOM 242 CB GLU A 417 -7.693 13.276 9.528 1.00 60.42 C ATOM 243 CG GLU A 417 -8.694 12.220 9.131 1.00 51.04 C ATOM 244 CD GLU A 417 -8.666 11.983 7.644 1.00 63.55 C ATOM 245 OE1 GLU A 417 -7.851 11.144 7.192 1.00 71.24 O ATOM 246 OE2 GLU A 417 -9.424 12.625 6.896 1.00 15.25 O ATOM 0 H GLU A 417 -9.327 14.191 11.139 1.00 71.33 H new ATOM 0 HA GLU A 417 -7.137 12.418 11.408 1.00 40.54 H new ATOM 0 HB2 GLU A 417 -8.045 14.241 9.162 1.00 60.42 H new ATOM 0 HB3 GLU A 417 -6.751 13.067 9.021 1.00 60.42 H new ATOM 0 HG2 GLU A 417 -8.474 11.290 9.655 1.00 51.04 H new ATOM 0 HG3 GLU A 417 -9.694 12.529 9.435 1.00 51.04 H new ATOM 253 N GLN A 418 -6.604 15.648 11.038 1.00 41.21 N ATOM 254 CA GLN A 418 -5.594 16.687 11.109 1.00 54.31 C ATOM 255 C GLN A 418 -5.106 16.893 12.543 1.00 31.24 C ATOM 256 O GLN A 418 -3.951 17.252 12.777 1.00 30.12 O ATOM 257 CB GLN A 418 -6.103 17.996 10.440 1.00 64.24 C ATOM 258 CG GLN A 418 -7.268 18.730 11.134 1.00 12.44 C ATOM 259 CD GLN A 418 -6.844 19.515 12.374 1.00 11.24 C ATOM 260 OE1 GLN A 418 -5.716 19.992 12.466 1.00 60.25 O ATOM 261 NE2 GLN A 418 -7.726 19.648 13.319 1.00 4.23 N ATOM 0 H GLN A 418 -7.544 15.986 10.833 1.00 41.21 H new ATOM 0 HA GLN A 418 -4.722 16.365 10.540 1.00 54.31 H new ATOM 0 HB2 GLN A 418 -5.263 18.687 10.366 1.00 64.24 H new ATOM 0 HB3 GLN A 418 -6.411 17.758 9.422 1.00 64.24 H new ATOM 0 HG2 GLN A 418 -7.731 19.413 10.422 1.00 12.44 H new ATOM 0 HG3 GLN A 418 -8.028 18.002 11.417 1.00 12.44 H new ATOM 0 HE21 GLN A 418 -8.654 19.240 13.211 1.00 4.23 H new ATOM 0 HE22 GLN A 418 -7.490 20.161 14.168 1.00 4.23 H new ATOM 270 N SER A 419 -5.987 16.651 13.490 1.00 21.20 N ATOM 271 CA SER A 419 -5.666 16.793 14.882 1.00 44.21 C ATOM 272 C SER A 419 -4.975 15.530 15.386 1.00 42.12 C ATOM 273 O SER A 419 -4.087 15.589 16.230 1.00 75.52 O ATOM 274 CB SER A 419 -6.953 17.065 15.685 1.00 22.12 C ATOM 275 OG SER A 419 -6.693 17.250 17.068 1.00 45.31 O ATOM 0 H SER A 419 -6.945 16.350 13.310 1.00 21.20 H new ATOM 0 HA SER A 419 -4.986 17.635 15.015 1.00 44.21 H new ATOM 0 HB2 SER A 419 -7.446 17.952 15.288 1.00 22.12 H new ATOM 0 HB3 SER A 419 -7.643 16.231 15.555 1.00 22.12 H new ATOM 0 HG SER A 419 -7.507 17.564 17.515 1.00 45.31 H new ATOM 281 N GLY A 420 -5.365 14.385 14.834 1.00 3.21 N ATOM 282 CA GLY A 420 -4.835 13.126 15.308 1.00 0.52 C ATOM 283 C GLY A 420 -5.430 12.779 16.654 1.00 70.04 C ATOM 284 O GLY A 420 -4.871 11.990 17.417 1.00 4.23 O ATOM 0 H GLY A 420 -6.036 14.310 14.070 1.00 3.21 H new ATOM 0 HA2 GLY A 420 -5.058 12.337 14.590 1.00 0.52 H new ATOM 0 HA3 GLY A 420 -3.750 13.188 15.388 1.00 0.52 H new ATOM 288 N ALA A 421 -6.583 13.374 16.933 1.00 63.00 N ATOM 289 CA ALA A 421 -7.256 13.201 18.206 1.00 51.12 C ATOM 290 C ALA A 421 -7.871 11.818 18.318 1.00 60.11 C ATOM 291 O ALA A 421 -7.720 11.139 19.330 1.00 20.02 O ATOM 292 CB ALA A 421 -8.314 14.279 18.383 1.00 21.23 C ATOM 0 H ALA A 421 -7.074 13.988 16.283 1.00 63.00 H new ATOM 0 HA ALA A 421 -6.518 13.297 19.003 1.00 51.12 H new ATOM 0 HB1 ALA A 421 -8.815 14.143 19.341 1.00 21.23 H new ATOM 0 HB2 ALA A 421 -7.841 15.261 18.357 1.00 21.23 H new ATOM 0 HB3 ALA A 421 -9.045 14.207 17.578 1.00 21.23 H new ATOM 535 N MET A 437 -15.294 11.171 -5.387 1.00 12.31 N ATOM 536 CA MET A 437 -14.275 12.153 -5.659 1.00 4.31 C ATOM 537 C MET A 437 -13.495 11.752 -6.938 1.00 25.34 C ATOM 538 O MET A 437 -13.359 10.568 -7.216 1.00 73.14 O ATOM 539 CB MET A 437 -13.316 12.164 -4.454 1.00 22.30 C ATOM 540 CG MET A 437 -12.407 13.365 -4.363 1.00 22.00 C ATOM 541 SD MET A 437 -13.332 14.893 -4.077 1.00 12.45 S ATOM 542 CE MET A 437 -14.083 14.541 -2.473 1.00 73.12 C ATOM 0 HA MET A 437 -14.717 13.137 -5.814 1.00 4.31 H new ATOM 0 HB2 MET A 437 -13.907 12.106 -3.540 1.00 22.30 H new ATOM 0 HB3 MET A 437 -12.700 11.265 -4.493 1.00 22.30 H new ATOM 0 HG2 MET A 437 -11.691 13.218 -3.554 1.00 22.00 H new ATOM 0 HG3 MET A 437 -11.833 13.456 -5.285 1.00 22.00 H new ATOM 0 HE1 MET A 437 -14.348 15.477 -1.982 1.00 73.12 H new ATOM 0 HE2 MET A 437 -14.981 13.939 -2.616 1.00 73.12 H new ATOM 0 HE3 MET A 437 -13.374 13.994 -1.852 1.00 73.12 H new ATOM 552 N PRO A 438 -12.990 12.729 -7.745 1.00 44.31 N ATOM 553 CA PRO A 438 -12.130 12.448 -8.928 1.00 63.11 C ATOM 554 C PRO A 438 -10.917 11.576 -8.558 1.00 22.31 C ATOM 555 O PRO A 438 -10.381 10.835 -9.383 1.00 71.34 O ATOM 556 CB PRO A 438 -11.654 13.848 -9.371 1.00 4.41 C ATOM 557 CG PRO A 438 -12.042 14.769 -8.259 1.00 44.41 C ATOM 558 CD PRO A 438 -13.251 14.165 -7.628 1.00 21.35 C ATOM 0 HA PRO A 438 -12.667 11.900 -9.702 1.00 63.11 H new ATOM 0 HB2 PRO A 438 -10.577 13.863 -9.536 1.00 4.41 H new ATOM 0 HB3 PRO A 438 -12.124 14.144 -10.309 1.00 4.41 H new ATOM 0 HG2 PRO A 438 -11.233 14.869 -7.535 1.00 44.41 H new ATOM 0 HG3 PRO A 438 -12.257 15.768 -8.637 1.00 44.41 H new ATOM 0 HD2 PRO A 438 -13.362 14.473 -6.588 1.00 21.35 H new ATOM 0 HD3 PRO A 438 -14.166 14.454 -8.146 1.00 21.35 H new ATOM 566 N GLN A 439 -10.505 11.687 -7.310 1.00 71.23 N ATOM 567 CA GLN A 439 -9.390 10.947 -6.753 1.00 25.32 C ATOM 568 C GLN A 439 -9.580 9.408 -6.871 1.00 11.44 C ATOM 569 O GLN A 439 -8.597 8.663 -6.919 1.00 71.14 O ATOM 570 CB GLN A 439 -9.183 11.366 -5.295 1.00 52.43 C ATOM 571 CG GLN A 439 -8.054 10.645 -4.593 1.00 61.12 C ATOM 572 CD GLN A 439 -7.844 11.118 -3.175 1.00 34.43 C ATOM 573 OE1 GLN A 439 -8.781 11.559 -2.504 1.00 75.43 O ATOM 574 NE2 GLN A 439 -6.631 11.015 -2.704 1.00 42.12 N ATOM 0 H GLN A 439 -10.949 12.312 -6.637 1.00 71.23 H new ATOM 0 HA GLN A 439 -8.499 11.189 -7.333 1.00 25.32 H new ATOM 0 HB2 GLN A 439 -8.990 12.438 -5.262 1.00 52.43 H new ATOM 0 HB3 GLN A 439 -10.107 11.191 -4.745 1.00 52.43 H new ATOM 0 HG2 GLN A 439 -8.262 9.575 -4.586 1.00 61.12 H new ATOM 0 HG3 GLN A 439 -7.133 10.787 -5.158 1.00 61.12 H new ATOM 0 HE21 GLN A 439 -5.885 10.645 -3.293 1.00 42.12 H new ATOM 0 HE22 GLN A 439 -6.429 11.305 -1.747 1.00 42.12 H new ATOM 583 N VAL A 440 -10.842 8.939 -6.947 1.00 64.35 N ATOM 584 CA VAL A 440 -11.118 7.495 -7.040 1.00 3.21 C ATOM 585 C VAL A 440 -10.436 6.869 -8.262 1.00 52.31 C ATOM 586 O VAL A 440 -10.043 5.726 -8.220 1.00 2.35 O ATOM 587 CB VAL A 440 -12.648 7.142 -7.040 1.00 43.20 C ATOM 588 CG1 VAL A 440 -13.361 7.642 -8.281 1.00 13.32 C ATOM 589 CG2 VAL A 440 -12.871 5.645 -6.844 1.00 23.05 C ATOM 0 H VAL A 440 -11.673 9.530 -6.946 1.00 64.35 H new ATOM 0 HA VAL A 440 -10.695 7.066 -6.132 1.00 3.21 H new ATOM 0 HB VAL A 440 -13.088 7.666 -6.192 1.00 43.20 H new ATOM 0 HG11 VAL A 440 -14.415 7.371 -8.229 1.00 13.32 H new ATOM 0 HG12 VAL A 440 -13.268 8.726 -8.342 1.00 13.32 H new ATOM 0 HG13 VAL A 440 -12.913 7.189 -9.165 1.00 13.32 H new ATOM 0 HG21 VAL A 440 -13.940 5.433 -6.849 1.00 23.05 H new ATOM 0 HG22 VAL A 440 -12.389 5.096 -7.653 1.00 23.05 H new ATOM 0 HG23 VAL A 440 -12.444 5.335 -5.890 1.00 23.05 H new ATOM 599 N LEU A 441 -10.265 7.645 -9.330 1.00 33.00 N ATOM 600 CA LEU A 441 -9.618 7.137 -10.543 1.00 73.34 C ATOM 601 C LEU A 441 -8.155 6.760 -10.275 1.00 22.32 C ATOM 602 O LEU A 441 -7.638 5.792 -10.837 1.00 34.12 O ATOM 603 CB LEU A 441 -9.716 8.121 -11.738 1.00 23.14 C ATOM 604 CG LEU A 441 -11.108 8.405 -12.358 1.00 64.13 C ATOM 605 CD1 LEU A 441 -12.045 9.141 -11.407 1.00 10.51 C ATOM 606 CD2 LEU A 441 -10.945 9.182 -13.649 1.00 12.30 C ATOM 0 H LEU A 441 -10.561 8.620 -9.383 1.00 33.00 H new ATOM 0 HA LEU A 441 -10.166 6.239 -10.826 1.00 73.34 H new ATOM 0 HB2 LEU A 441 -9.297 9.074 -11.416 1.00 23.14 H new ATOM 0 HB3 LEU A 441 -9.072 7.742 -12.532 1.00 23.14 H new ATOM 0 HG LEU A 441 -11.572 7.440 -12.562 1.00 64.13 H new ATOM 0 HD11 LEU A 441 -13.003 9.311 -11.899 1.00 10.51 H new ATOM 0 HD12 LEU A 441 -12.199 8.541 -10.510 1.00 10.51 H new ATOM 0 HD13 LEU A 441 -11.604 10.099 -11.131 1.00 10.51 H new ATOM 0 HD21 LEU A 441 -11.926 9.379 -14.081 1.00 12.30 H new ATOM 0 HD22 LEU A 441 -10.442 10.127 -13.444 1.00 12.30 H new ATOM 0 HD23 LEU A 441 -10.349 8.599 -14.352 1.00 12.30 H new ATOM 618 N HIS A 442 -7.505 7.507 -9.389 1.00 4.30 N ATOM 619 CA HIS A 442 -6.122 7.231 -9.008 1.00 3.33 C ATOM 620 C HIS A 442 -6.094 5.924 -8.218 1.00 42.42 C ATOM 621 O HIS A 442 -5.176 5.115 -8.343 1.00 21.41 O ATOM 622 CB HIS A 442 -5.556 8.403 -8.158 1.00 11.31 C ATOM 623 CG HIS A 442 -4.086 8.302 -7.791 1.00 24.33 C ATOM 624 ND1 HIS A 442 -3.109 9.051 -8.407 1.00 42.53 N ATOM 625 CD2 HIS A 442 -3.443 7.565 -6.851 1.00 40.14 C ATOM 626 CE1 HIS A 442 -1.937 8.779 -7.871 1.00 0.21 C ATOM 627 NE2 HIS A 442 -2.108 7.882 -6.925 1.00 31.22 N ATOM 0 H HIS A 442 -7.916 8.313 -8.918 1.00 4.30 H new ATOM 0 HA HIS A 442 -5.498 7.135 -9.896 1.00 3.33 H new ATOM 0 HB2 HIS A 442 -5.712 9.333 -8.706 1.00 11.31 H new ATOM 0 HB3 HIS A 442 -6.137 8.474 -7.238 1.00 11.31 H new ATOM 0 HD1 HIS A 442 -3.269 9.716 -9.164 1.00 42.53 H new ATOM 0 HD2 HIS A 442 -3.896 6.860 -6.170 1.00 40.14 H new ATOM 0 HE1 HIS A 442 -0.994 9.219 -8.160 1.00 0.21 H new ATOM 636 N TYR A 443 -7.129 5.726 -7.426 1.00 71.41 N ATOM 637 CA TYR A 443 -7.288 4.525 -6.623 1.00 4.15 C ATOM 638 C TYR A 443 -7.755 3.328 -7.424 1.00 55.00 C ATOM 639 O TYR A 443 -7.465 2.208 -7.074 1.00 0.52 O ATOM 640 CB TYR A 443 -8.156 4.769 -5.393 1.00 4.23 C ATOM 641 CG TYR A 443 -7.438 5.547 -4.311 1.00 23.22 C ATOM 642 CD1 TYR A 443 -6.866 4.883 -3.234 1.00 44.44 C ATOM 643 CD2 TYR A 443 -7.309 6.925 -4.369 1.00 60.42 C ATOM 644 CE1 TYR A 443 -6.187 5.567 -2.251 1.00 23.21 C ATOM 645 CE2 TYR A 443 -6.631 7.619 -3.383 1.00 52.51 C ATOM 646 CZ TYR A 443 -6.072 6.934 -2.328 1.00 71.53 C ATOM 647 OH TYR A 443 -5.386 7.619 -1.352 1.00 3.02 O ATOM 0 H TYR A 443 -7.890 6.397 -7.319 1.00 71.41 H new ATOM 0 HA TYR A 443 -6.290 4.271 -6.266 1.00 4.15 H new ATOM 0 HB2 TYR A 443 -9.053 5.312 -5.690 1.00 4.23 H new ATOM 0 HB3 TYR A 443 -8.482 3.811 -4.989 1.00 4.23 H new ATOM 0 HD1 TYR A 443 -6.956 3.809 -3.166 1.00 44.44 H new ATOM 0 HD2 TYR A 443 -7.744 7.466 -5.196 1.00 60.42 H new ATOM 0 HE1 TYR A 443 -5.747 5.031 -1.423 1.00 23.21 H new ATOM 0 HE2 TYR A 443 -6.541 8.694 -3.441 1.00 52.51 H new ATOM 0 HH TYR A 443 -5.397 8.577 -1.556 1.00 3.02 H new ATOM 657 N ALA A 444 -8.476 3.574 -8.488 1.00 63.41 N ATOM 658 CA ALA A 444 -8.944 2.524 -9.401 1.00 53.35 C ATOM 659 C ALA A 444 -7.756 1.768 -9.969 1.00 12.11 C ATOM 660 O ALA A 444 -7.821 0.559 -10.212 1.00 23.15 O ATOM 661 CB ALA A 444 -9.790 3.119 -10.521 1.00 0.21 C ATOM 0 H ALA A 444 -8.766 4.513 -8.761 1.00 63.41 H new ATOM 0 HA ALA A 444 -9.570 1.828 -8.843 1.00 53.35 H new ATOM 0 HB1 ALA A 444 -10.126 2.323 -11.185 1.00 0.21 H new ATOM 0 HB2 ALA A 444 -10.656 3.625 -10.094 1.00 0.21 H new ATOM 0 HB3 ALA A 444 -9.194 3.836 -11.086 1.00 0.21 H new ATOM 667 N GLN A 445 -6.664 2.494 -10.158 1.00 54.23 N ATOM 668 CA GLN A 445 -5.409 1.921 -10.602 1.00 74.31 C ATOM 669 C GLN A 445 -4.934 0.880 -9.573 1.00 11.13 C ATOM 670 O GLN A 445 -4.397 -0.168 -9.927 1.00 21.12 O ATOM 671 CB GLN A 445 -4.355 3.019 -10.748 1.00 43.54 C ATOM 672 CG GLN A 445 -4.739 4.153 -11.695 1.00 53.34 C ATOM 673 CD GLN A 445 -4.987 3.691 -13.117 1.00 13.40 C ATOM 674 OE1 GLN A 445 -4.392 2.715 -13.592 1.00 42.42 O ATOM 675 NE2 GLN A 445 -5.859 4.374 -13.802 1.00 31.22 N ATOM 0 H GLN A 445 -6.627 3.502 -10.006 1.00 54.23 H new ATOM 0 HA GLN A 445 -5.554 1.440 -11.569 1.00 74.31 H new ATOM 0 HB2 GLN A 445 -4.151 3.440 -9.764 1.00 43.54 H new ATOM 0 HB3 GLN A 445 -3.427 2.568 -11.101 1.00 43.54 H new ATOM 0 HG2 GLN A 445 -5.637 4.643 -11.318 1.00 53.34 H new ATOM 0 HG3 GLN A 445 -3.945 4.900 -11.697 1.00 53.34 H new ATOM 0 HE21 GLN A 445 -6.329 5.173 -13.376 1.00 31.22 H new ATOM 0 HE22 GLN A 445 -6.072 4.110 -14.764 1.00 31.22 H new ATOM 684 N TYR A 446 -5.162 1.188 -8.301 1.00 13.11 N ATOM 685 CA TYR A 446 -4.818 0.297 -7.197 1.00 20.43 C ATOM 686 C TYR A 446 -5.794 -0.869 -7.133 1.00 32.14 C ATOM 687 O TYR A 446 -5.404 -2.013 -6.888 1.00 44.30 O ATOM 688 CB TYR A 446 -4.883 1.031 -5.855 1.00 52.13 C ATOM 689 CG TYR A 446 -3.890 2.146 -5.644 1.00 3.01 C ATOM 690 CD1 TYR A 446 -2.547 1.985 -5.939 1.00 4.25 C ATOM 691 CD2 TYR A 446 -4.297 3.351 -5.100 1.00 73.31 C ATOM 692 CE1 TYR A 446 -1.643 3.000 -5.701 1.00 11.32 C ATOM 693 CE2 TYR A 446 -3.405 4.368 -4.868 1.00 4.22 C ATOM 694 CZ TYR A 446 -2.083 4.190 -5.167 1.00 33.35 C ATOM 695 OH TYR A 446 -1.185 5.201 -4.919 1.00 24.32 O ATOM 0 H TYR A 446 -5.592 2.064 -8.005 1.00 13.11 H new ATOM 0 HA TYR A 446 -3.804 -0.060 -7.376 1.00 20.43 H new ATOM 0 HB2 TYR A 446 -5.886 1.442 -5.740 1.00 52.13 H new ATOM 0 HB3 TYR A 446 -4.746 0.298 -5.060 1.00 52.13 H new ATOM 0 HD1 TYR A 446 -2.202 1.053 -6.361 1.00 4.25 H new ATOM 0 HD2 TYR A 446 -5.338 3.495 -4.853 1.00 73.31 H new ATOM 0 HE1 TYR A 446 -0.597 2.862 -5.932 1.00 11.32 H new ATOM 0 HE2 TYR A 446 -3.746 5.304 -4.451 1.00 4.22 H new ATOM 0 HH TYR A 446 -1.419 5.986 -5.457 1.00 24.32 H new ATOM 705 N VAL A 447 -7.065 -0.566 -7.335 1.00 11.32 N ATOM 706 CA VAL A 447 -8.132 -1.562 -7.284 1.00 54.11 C ATOM 707 C VAL A 447 -7.938 -2.622 -8.375 1.00 55.34 C ATOM 708 O VAL A 447 -8.230 -3.806 -8.166 1.00 53.14 O ATOM 709 CB VAL A 447 -9.542 -0.904 -7.413 1.00 32.24 C ATOM 710 CG1 VAL A 447 -10.644 -1.946 -7.337 1.00 34.24 C ATOM 711 CG2 VAL A 447 -9.748 0.147 -6.336 1.00 75.53 C ATOM 0 H VAL A 447 -7.391 0.379 -7.540 1.00 11.32 H new ATOM 0 HA VAL A 447 -8.078 -2.047 -6.309 1.00 54.11 H new ATOM 0 HB VAL A 447 -9.590 -0.422 -8.389 1.00 32.24 H new ATOM 0 HG11 VAL A 447 -11.614 -1.457 -7.430 1.00 34.24 H new ATOM 0 HG12 VAL A 447 -10.521 -2.665 -8.147 1.00 34.24 H new ATOM 0 HG13 VAL A 447 -10.589 -2.464 -6.380 1.00 34.24 H new ATOM 0 HG21 VAL A 447 -10.737 0.592 -6.446 1.00 75.53 H new ATOM 0 HG22 VAL A 447 -9.666 -0.318 -5.354 1.00 75.53 H new ATOM 0 HG23 VAL A 447 -8.989 0.923 -6.435 1.00 75.53 H new ATOM 721 N LEU A 448 -7.378 -2.205 -9.508 1.00 12.34 N ATOM 722 CA LEU A 448 -7.135 -3.088 -10.614 1.00 40.43 C ATOM 723 C LEU A 448 -6.147 -4.161 -10.205 1.00 41.45 C ATOM 724 O LEU A 448 -6.258 -5.315 -10.603 1.00 34.20 O ATOM 725 CB LEU A 448 -6.572 -2.287 -11.787 1.00 32.25 C ATOM 726 CG LEU A 448 -6.177 -3.094 -13.008 1.00 42.35 C ATOM 727 CD1 LEU A 448 -7.387 -3.768 -13.645 1.00 23.11 C ATOM 728 CD2 LEU A 448 -5.419 -2.244 -14.008 1.00 63.02 C ATOM 0 H LEU A 448 -7.085 -1.242 -9.672 1.00 12.34 H new ATOM 0 HA LEU A 448 -8.070 -3.561 -10.913 1.00 40.43 H new ATOM 0 HB2 LEU A 448 -7.315 -1.548 -12.088 1.00 32.25 H new ATOM 0 HB3 LEU A 448 -5.697 -1.737 -11.440 1.00 32.25 H new ATOM 0 HG LEU A 448 -5.504 -3.885 -12.677 1.00 42.35 H new ATOM 0 HD11 LEU A 448 -7.068 -4.338 -14.518 1.00 23.11 H new ATOM 0 HD12 LEU A 448 -7.852 -4.439 -12.923 1.00 23.11 H new ATOM 0 HD13 LEU A 448 -8.107 -3.009 -13.951 1.00 23.11 H new ATOM 0 HD21 LEU A 448 -5.150 -2.852 -14.872 1.00 63.02 H new ATOM 0 HD22 LEU A 448 -6.047 -1.414 -14.330 1.00 63.02 H new ATOM 0 HD23 LEU A 448 -4.514 -1.855 -13.542 1.00 63.02 H new ATOM 740 N LEU A 449 -5.218 -3.774 -9.365 1.00 3.41 N ATOM 741 CA LEU A 449 -4.176 -4.657 -8.904 1.00 24.53 C ATOM 742 C LEU A 449 -4.756 -5.680 -7.941 1.00 42.35 C ATOM 743 O LEU A 449 -4.302 -6.831 -7.880 1.00 21.35 O ATOM 744 CB LEU A 449 -3.073 -3.850 -8.217 1.00 50.33 C ATOM 745 CG LEU A 449 -2.546 -2.644 -9.001 1.00 2.35 C ATOM 746 CD1 LEU A 449 -1.388 -1.986 -8.287 1.00 43.23 C ATOM 747 CD2 LEU A 449 -2.189 -3.018 -10.428 1.00 41.10 C ATOM 0 H LEU A 449 -5.164 -2.831 -8.980 1.00 3.41 H new ATOM 0 HA LEU A 449 -3.747 -5.180 -9.758 1.00 24.53 H new ATOM 0 HB2 LEU A 449 -3.450 -3.499 -7.256 1.00 50.33 H new ATOM 0 HB3 LEU A 449 -2.237 -4.517 -8.007 1.00 50.33 H new ATOM 0 HG LEU A 449 -3.351 -1.911 -9.055 1.00 2.35 H new ATOM 0 HD11 LEU A 449 -1.038 -1.134 -8.870 1.00 43.23 H new ATOM 0 HD12 LEU A 449 -1.713 -1.644 -7.304 1.00 43.23 H new ATOM 0 HD13 LEU A 449 -0.576 -2.704 -8.171 1.00 43.23 H new ATOM 0 HD21 LEU A 449 -1.819 -2.137 -10.953 1.00 41.10 H new ATOM 0 HD22 LEU A 449 -1.417 -3.787 -10.420 1.00 41.10 H new ATOM 0 HD23 LEU A 449 -3.075 -3.398 -10.937 1.00 41.10 H new ATOM 759 N GLY A 450 -5.771 -5.253 -7.200 1.00 73.03 N ATOM 760 CA GLY A 450 -6.419 -6.123 -6.257 1.00 71.31 C ATOM 761 C GLY A 450 -7.223 -7.193 -6.950 1.00 71.21 C ATOM 762 O GLY A 450 -7.055 -8.367 -6.673 1.00 44.25 O ATOM 0 H GLY A 450 -6.155 -4.309 -7.242 1.00 73.03 H new ATOM 0 HA2 GLY A 450 -5.670 -6.588 -5.616 1.00 71.31 H new ATOM 0 HA3 GLY A 450 -7.073 -5.537 -5.611 1.00 71.31 H new ATOM 766 N LEU A 451 -8.061 -6.790 -7.898 1.00 62.21 N ATOM 767 CA LEU A 451 -8.874 -7.749 -8.653 1.00 41.41 C ATOM 768 C LEU A 451 -8.026 -8.583 -9.591 1.00 14.40 C ATOM 769 O LEU A 451 -8.314 -9.763 -9.818 1.00 55.00 O ATOM 770 CB LEU A 451 -10.052 -7.091 -9.404 1.00 61.02 C ATOM 771 CG LEU A 451 -11.262 -6.629 -8.561 1.00 12.34 C ATOM 772 CD1 LEU A 451 -10.893 -5.571 -7.540 1.00 23.13 C ATOM 773 CD2 LEU A 451 -12.379 -6.134 -9.462 1.00 50.31 C ATOM 0 H LEU A 451 -8.198 -5.815 -8.164 1.00 62.21 H new ATOM 0 HA LEU A 451 -9.315 -8.414 -7.911 1.00 41.41 H new ATOM 0 HB2 LEU A 451 -9.667 -6.226 -9.943 1.00 61.02 H new ATOM 0 HB3 LEU A 451 -10.412 -7.798 -10.152 1.00 61.02 H new ATOM 0 HG LEU A 451 -11.610 -7.498 -8.003 1.00 12.34 H new ATOM 0 HD11 LEU A 451 -11.781 -5.284 -6.977 1.00 23.13 H new ATOM 0 HD12 LEU A 451 -10.143 -5.970 -6.857 1.00 23.13 H new ATOM 0 HD13 LEU A 451 -10.489 -4.697 -8.051 1.00 23.13 H new ATOM 0 HD21 LEU A 451 -13.223 -5.813 -8.852 1.00 50.31 H new ATOM 0 HD22 LEU A 451 -12.021 -5.294 -10.057 1.00 50.31 H new ATOM 0 HD23 LEU A 451 -12.696 -6.939 -10.125 1.00 50.31 H new ATOM 785 N GLY A 452 -6.980 -7.973 -10.125 1.00 31.42 N ATOM 786 CA GLY A 452 -6.060 -8.682 -10.980 1.00 61.14 C ATOM 787 C GLY A 452 -5.379 -9.807 -10.234 1.00 23.41 C ATOM 788 O GLY A 452 -5.208 -10.908 -10.771 1.00 2.24 O ATOM 0 H GLY A 452 -6.753 -6.990 -9.978 1.00 31.42 H new ATOM 0 HA2 GLY A 452 -6.595 -9.084 -11.841 1.00 61.14 H new ATOM 0 HA3 GLY A 452 -5.310 -7.991 -11.365 1.00 61.14 H new ATOM 792 N GLY A 453 -4.993 -9.534 -8.996 1.00 14.50 N ATOM 793 CA GLY A 453 -4.381 -10.542 -8.175 1.00 35.04 C ATOM 794 C GLY A 453 -5.396 -11.539 -7.649 1.00 50.13 C ATOM 795 O GLY A 453 -5.142 -12.750 -7.630 1.00 13.12 O ATOM 0 H GLY A 453 -5.097 -8.623 -8.549 1.00 14.50 H new ATOM 0 HA2 GLY A 453 -3.621 -11.068 -8.753 1.00 35.04 H new ATOM 0 HA3 GLY A 453 -3.871 -10.067 -7.337 1.00 35.04 H new ATOM 799 N LEU A 454 -6.550 -11.028 -7.238 1.00 25.12 N ATOM 800 CA LEU A 454 -7.643 -11.828 -6.676 1.00 52.22 C ATOM 801 C LEU A 454 -8.112 -12.898 -7.659 1.00 13.22 C ATOM 802 O LEU A 454 -8.528 -13.976 -7.250 1.00 21.24 O ATOM 803 CB LEU A 454 -8.822 -10.925 -6.290 1.00 33.45 C ATOM 804 CG LEU A 454 -10.013 -11.605 -5.603 1.00 74.22 C ATOM 805 CD1 LEU A 454 -9.604 -12.195 -4.260 1.00 74.15 C ATOM 806 CD2 LEU A 454 -11.159 -10.626 -5.434 1.00 62.15 C ATOM 0 H LEU A 454 -6.761 -10.031 -7.284 1.00 25.12 H new ATOM 0 HA LEU A 454 -7.263 -12.326 -5.784 1.00 52.22 H new ATOM 0 HB2 LEU A 454 -8.449 -10.142 -5.629 1.00 33.45 H new ATOM 0 HB3 LEU A 454 -9.185 -10.434 -7.193 1.00 33.45 H new ATOM 0 HG LEU A 454 -10.351 -12.423 -6.239 1.00 74.22 H new ATOM 0 HD11 LEU A 454 -10.467 -12.671 -3.794 1.00 74.15 H new ATOM 0 HD12 LEU A 454 -8.819 -12.936 -4.412 1.00 74.15 H new ATOM 0 HD13 LEU A 454 -9.233 -11.401 -3.612 1.00 74.15 H new ATOM 0 HD21 LEU A 454 -11.995 -11.126 -4.945 1.00 62.15 H new ATOM 0 HD22 LEU A 454 -10.832 -9.785 -4.823 1.00 62.15 H new ATOM 0 HD23 LEU A 454 -11.475 -10.263 -6.412 1.00 62.15 H new ATOM 818 N LEU A 455 -8.007 -12.597 -8.949 1.00 72.10 N ATOM 819 CA LEU A 455 -8.447 -13.491 -10.025 1.00 25.21 C ATOM 820 C LEU A 455 -7.743 -14.865 -9.953 1.00 63.03 C ATOM 821 O LEU A 455 -8.319 -15.888 -10.336 1.00 33.22 O ATOM 822 CB LEU A 455 -8.172 -12.823 -11.385 1.00 51.11 C ATOM 823 CG LEU A 455 -8.632 -13.584 -12.634 1.00 75.13 C ATOM 824 CD1 LEU A 455 -10.143 -13.741 -12.646 1.00 62.30 C ATOM 825 CD2 LEU A 455 -8.153 -12.882 -13.894 1.00 51.22 C ATOM 0 H LEU A 455 -7.611 -11.719 -9.285 1.00 72.10 H new ATOM 0 HA LEU A 455 -9.516 -13.668 -9.907 1.00 25.21 H new ATOM 0 HB2 LEU A 455 -8.653 -11.845 -11.387 1.00 51.11 H new ATOM 0 HB3 LEU A 455 -7.099 -12.651 -11.468 1.00 51.11 H new ATOM 0 HG LEU A 455 -8.190 -14.580 -12.608 1.00 75.13 H new ATOM 0 HD11 LEU A 455 -10.445 -14.284 -13.542 1.00 62.30 H new ATOM 0 HD12 LEU A 455 -10.458 -14.295 -11.762 1.00 62.30 H new ATOM 0 HD13 LEU A 455 -10.611 -12.757 -12.643 1.00 62.30 H new ATOM 0 HD21 LEU A 455 -8.489 -13.437 -14.770 1.00 51.22 H new ATOM 0 HD22 LEU A 455 -8.562 -11.872 -13.925 1.00 51.22 H new ATOM 0 HD23 LEU A 455 -7.064 -12.833 -13.892 1.00 51.22 H new ATOM 837 N LEU A 456 -6.523 -14.879 -9.436 1.00 32.41 N ATOM 838 CA LEU A 456 -5.763 -16.115 -9.278 1.00 41.14 C ATOM 839 C LEU A 456 -6.316 -16.930 -8.110 1.00 20.31 C ATOM 840 O LEU A 456 -6.303 -18.163 -8.122 1.00 25.34 O ATOM 841 CB LEU A 456 -4.274 -15.787 -9.044 1.00 41.53 C ATOM 842 CG LEU A 456 -3.323 -16.970 -8.817 1.00 32.03 C ATOM 843 CD1 LEU A 456 -3.318 -17.908 -10.009 1.00 3.14 C ATOM 844 CD2 LEU A 456 -1.923 -16.466 -8.543 1.00 41.41 C ATOM 0 H LEU A 456 -6.034 -14.043 -9.116 1.00 32.41 H new ATOM 0 HA LEU A 456 -5.856 -16.708 -10.188 1.00 41.14 H new ATOM 0 HB2 LEU A 456 -3.913 -15.223 -9.904 1.00 41.53 H new ATOM 0 HB3 LEU A 456 -4.205 -15.127 -8.179 1.00 41.53 H new ATOM 0 HG LEU A 456 -3.678 -17.529 -7.951 1.00 32.03 H new ATOM 0 HD11 LEU A 456 -2.635 -18.736 -9.818 1.00 3.14 H new ATOM 0 HD12 LEU A 456 -4.323 -18.297 -10.170 1.00 3.14 H new ATOM 0 HD13 LEU A 456 -2.992 -17.366 -10.897 1.00 3.14 H new ATOM 0 HD21 LEU A 456 -1.256 -17.313 -8.383 1.00 41.41 H new ATOM 0 HD22 LEU A 456 -1.573 -15.884 -9.395 1.00 41.41 H new ATOM 0 HD23 LEU A 456 -1.930 -15.837 -7.653 1.00 41.41 H new ATOM 856 N LEU A 457 -6.796 -16.235 -7.109 1.00 25.32 N ATOM 857 CA LEU A 457 -7.354 -16.855 -5.922 1.00 60.44 C ATOM 858 C LEU A 457 -8.750 -17.408 -6.176 1.00 60.12 C ATOM 859 O LEU A 457 -9.127 -18.407 -5.590 1.00 74.01 O ATOM 860 CB LEU A 457 -7.384 -15.882 -4.719 1.00 51.44 C ATOM 861 CG LEU A 457 -6.040 -15.482 -4.059 1.00 52.43 C ATOM 862 CD1 LEU A 457 -5.105 -14.772 -5.020 1.00 63.42 C ATOM 863 CD2 LEU A 457 -6.300 -14.608 -2.847 1.00 54.11 C ATOM 0 H LEU A 457 -6.813 -15.215 -7.090 1.00 25.32 H new ATOM 0 HA LEU A 457 -6.693 -17.685 -5.673 1.00 60.44 H new ATOM 0 HB2 LEU A 457 -7.879 -14.967 -5.045 1.00 51.44 H new ATOM 0 HB3 LEU A 457 -8.013 -16.327 -3.948 1.00 51.44 H new ATOM 0 HG LEU A 457 -5.545 -16.404 -3.754 1.00 52.43 H new ATOM 0 HD11 LEU A 457 -4.180 -14.515 -4.504 1.00 63.42 H new ATOM 0 HD12 LEU A 457 -4.882 -15.428 -5.861 1.00 63.42 H new ATOM 0 HD13 LEU A 457 -5.581 -13.862 -5.386 1.00 63.42 H new ATOM 0 HD21 LEU A 457 -5.351 -14.331 -2.388 1.00 54.11 H new ATOM 0 HD22 LEU A 457 -6.831 -13.707 -3.155 1.00 54.11 H new ATOM 0 HD23 LEU A 457 -6.905 -15.157 -2.126 1.00 54.11 H new ATOM 875 N VAL A 458 -9.493 -16.760 -7.079 1.00 72.23 N ATOM 876 CA VAL A 458 -10.913 -17.091 -7.368 1.00 21.35 C ATOM 877 C VAL A 458 -11.215 -18.616 -7.532 1.00 14.02 C ATOM 878 O VAL A 458 -12.119 -19.128 -6.850 1.00 64.23 O ATOM 879 CB VAL A 458 -11.486 -16.280 -8.577 1.00 63.22 C ATOM 880 CG1 VAL A 458 -12.930 -16.668 -8.853 1.00 11.20 C ATOM 881 CG2 VAL A 458 -11.406 -14.790 -8.303 1.00 35.24 C ATOM 0 H VAL A 458 -9.135 -15.986 -7.638 1.00 72.23 H new ATOM 0 HA VAL A 458 -11.437 -16.781 -6.464 1.00 21.35 H new ATOM 0 HB VAL A 458 -10.883 -16.517 -9.454 1.00 63.22 H new ATOM 0 HG11 VAL A 458 -13.307 -16.091 -9.698 1.00 11.20 H new ATOM 0 HG12 VAL A 458 -12.983 -17.731 -9.087 1.00 11.20 H new ATOM 0 HG13 VAL A 458 -13.537 -16.460 -7.972 1.00 11.20 H new ATOM 0 HG21 VAL A 458 -11.809 -14.241 -9.154 1.00 35.24 H new ATOM 0 HG22 VAL A 458 -11.986 -14.552 -7.411 1.00 35.24 H new ATOM 0 HG23 VAL A 458 -10.366 -14.504 -8.146 1.00 35.24 H new ATOM 891 N PRO A 459 -10.483 -19.377 -8.406 1.00 1.34 N ATOM 892 CA PRO A 459 -10.724 -20.820 -8.578 1.00 73.44 C ATOM 893 C PRO A 459 -10.574 -21.578 -7.255 1.00 3.35 C ATOM 894 O PRO A 459 -11.292 -22.547 -6.989 1.00 25.02 O ATOM 895 CB PRO A 459 -9.634 -21.267 -9.577 1.00 21.32 C ATOM 896 CG PRO A 459 -8.639 -20.157 -9.589 1.00 22.44 C ATOM 897 CD PRO A 459 -9.411 -18.907 -9.301 1.00 60.40 C ATOM 0 HA PRO A 459 -11.736 -21.025 -8.927 1.00 73.44 H new ATOM 0 HB2 PRO A 459 -9.174 -22.205 -9.265 1.00 21.32 H new ATOM 0 HB3 PRO A 459 -10.053 -21.432 -10.570 1.00 21.32 H new ATOM 0 HG2 PRO A 459 -7.865 -20.319 -8.839 1.00 22.44 H new ATOM 0 HG3 PRO A 459 -8.138 -20.092 -10.555 1.00 22.44 H new ATOM 0 HD2 PRO A 459 -8.789 -18.150 -8.823 1.00 60.40 H new ATOM 0 HD3 PRO A 459 -9.812 -18.462 -10.212 1.00 60.40 H new ATOM 905 N ILE A 460 -9.673 -21.094 -6.418 1.00 41.42 N ATOM 906 CA ILE A 460 -9.396 -21.705 -5.141 1.00 61.03 C ATOM 907 C ILE A 460 -10.440 -21.264 -4.114 1.00 71.50 C ATOM 908 O ILE A 460 -10.896 -22.061 -3.316 1.00 21.21 O ATOM 909 CB ILE A 460 -7.965 -21.352 -4.644 1.00 34.31 C ATOM 910 CG1 ILE A 460 -6.914 -21.786 -5.682 1.00 20.43 C ATOM 911 CG2 ILE A 460 -7.669 -21.987 -3.286 1.00 40.42 C ATOM 912 CD1 ILE A 460 -6.926 -23.270 -6.013 1.00 51.41 C ATOM 0 H ILE A 460 -9.114 -20.263 -6.611 1.00 41.42 H new ATOM 0 HA ILE A 460 -9.448 -22.787 -5.263 1.00 61.03 H new ATOM 0 HB ILE A 460 -7.914 -20.270 -4.521 1.00 34.31 H new ATOM 0 HG12 ILE A 460 -7.075 -21.221 -6.600 1.00 20.43 H new ATOM 0 HG13 ILE A 460 -5.925 -21.518 -5.312 1.00 20.43 H new ATOM 0 HG21 ILE A 460 -6.661 -21.719 -2.971 1.00 40.42 H new ATOM 0 HG22 ILE A 460 -8.388 -21.625 -2.551 1.00 40.42 H new ATOM 0 HG23 ILE A 460 -7.747 -23.071 -3.366 1.00 40.42 H new ATOM 0 HD11 ILE A 460 -6.154 -23.484 -6.752 1.00 51.41 H new ATOM 0 HD12 ILE A 460 -6.733 -23.846 -5.108 1.00 51.41 H new ATOM 0 HD13 ILE A 460 -7.900 -23.545 -6.417 1.00 51.41 H new ATOM 924 N ILE A 461 -10.842 -20.000 -4.173 1.00 41.14 N ATOM 925 CA ILE A 461 -11.858 -19.458 -3.258 1.00 60.41 C ATOM 926 C ILE A 461 -13.174 -20.234 -3.394 1.00 63.40 C ATOM 927 O ILE A 461 -13.881 -20.454 -2.415 1.00 33.44 O ATOM 928 CB ILE A 461 -12.111 -17.932 -3.491 1.00 72.30 C ATOM 929 CG1 ILE A 461 -10.827 -17.134 -3.230 1.00 41.44 C ATOM 930 CG2 ILE A 461 -13.248 -17.419 -2.597 1.00 24.54 C ATOM 931 CD1 ILE A 461 -10.967 -15.642 -3.466 1.00 70.33 C ATOM 0 H ILE A 461 -10.482 -19.323 -4.846 1.00 41.14 H new ATOM 0 HA ILE A 461 -11.471 -19.577 -2.246 1.00 60.41 H new ATOM 0 HB ILE A 461 -12.408 -17.792 -4.530 1.00 72.30 H new ATOM 0 HG12 ILE A 461 -10.512 -17.300 -2.200 1.00 41.44 H new ATOM 0 HG13 ILE A 461 -10.035 -17.520 -3.872 1.00 41.44 H new ATOM 0 HG21 ILE A 461 -13.403 -16.356 -2.779 1.00 24.54 H new ATOM 0 HG22 ILE A 461 -14.164 -17.963 -2.825 1.00 24.54 H new ATOM 0 HG23 ILE A 461 -12.986 -17.573 -1.550 1.00 24.54 H new ATOM 0 HD11 ILE A 461 -10.016 -15.150 -3.260 1.00 70.33 H new ATOM 0 HD12 ILE A 461 -11.251 -15.463 -4.503 1.00 70.33 H new ATOM 0 HD13 ILE A 461 -11.735 -15.240 -2.805 1.00 70.33 H new ATOM 943 N CYS A 462 -13.456 -20.699 -4.592 1.00 2.21 N ATOM 944 CA CYS A 462 -14.674 -21.451 -4.841 1.00 3.21 C ATOM 945 C CYS A 462 -14.560 -22.830 -4.186 1.00 21.21 C ATOM 946 O CYS A 462 -15.548 -23.408 -3.738 1.00 71.25 O ATOM 947 CB CYS A 462 -14.921 -21.569 -6.340 1.00 2.44 C ATOM 948 SG CYS A 462 -14.993 -19.973 -7.198 1.00 22.43 S ATOM 0 H CYS A 462 -12.861 -20.571 -5.411 1.00 2.21 H new ATOM 0 HA CYS A 462 -15.525 -20.929 -4.405 1.00 3.21 H new ATOM 0 HB2 CYS A 462 -14.129 -22.173 -6.783 1.00 2.44 H new ATOM 0 HB3 CYS A 462 -15.858 -22.101 -6.504 1.00 2.44 H new ATOM 0 HG CYS A 462 -13.804 -19.450 -7.242 1.00 22.43 H new ATOM 954 N GLN A 463 -13.330 -23.322 -4.090 1.00 11.53 N ATOM 955 CA GLN A 463 -13.058 -24.580 -3.426 1.00 2.21 C ATOM 956 C GLN A 463 -13.280 -24.379 -1.938 1.00 42.31 C ATOM 957 O GLN A 463 -13.796 -25.250 -1.238 1.00 23.41 O ATOM 958 CB GLN A 463 -11.621 -25.027 -3.672 1.00 25.03 C ATOM 959 CG GLN A 463 -11.223 -25.111 -5.135 1.00 12.13 C ATOM 960 CD GLN A 463 -12.150 -25.953 -5.982 1.00 61.33 C ATOM 961 OE1 GLN A 463 -12.772 -26.901 -5.512 1.00 64.30 O ATOM 962 NE2 GLN A 463 -12.238 -25.614 -7.237 1.00 2.03 N ATOM 0 H GLN A 463 -12.503 -22.860 -4.469 1.00 11.53 H new ATOM 0 HA GLN A 463 -13.721 -25.351 -3.819 1.00 2.21 H new ATOM 0 HB2 GLN A 463 -10.948 -24.335 -3.166 1.00 25.03 H new ATOM 0 HB3 GLN A 463 -11.476 -26.005 -3.214 1.00 25.03 H new ATOM 0 HG2 GLN A 463 -11.186 -24.103 -5.548 1.00 12.13 H new ATOM 0 HG3 GLN A 463 -10.215 -25.520 -5.203 1.00 12.13 H new ATOM 0 HE21 GLN A 463 -11.705 -24.819 -7.589 1.00 2.03 H new ATOM 0 HE22 GLN A 463 -12.840 -26.143 -7.867 1.00 2.03 H new ATOM 971 N LEU A 464 -12.893 -23.205 -1.454 1.00 34.41 N ATOM 972 CA LEU A 464 -13.153 -22.819 -0.078 1.00 23.22 C ATOM 973 C LEU A 464 -14.629 -22.723 0.178 1.00 32.22 C ATOM 974 O LEU A 464 -15.072 -23.070 1.229 1.00 10.35 O ATOM 975 CB LEU A 464 -12.451 -21.513 0.327 1.00 5.33 C ATOM 976 CG LEU A 464 -10.964 -21.595 0.715 1.00 41.45 C ATOM 977 CD1 LEU A 464 -10.123 -22.198 -0.379 1.00 22.04 C ATOM 978 CD2 LEU A 464 -10.451 -20.219 1.086 1.00 53.20 C ATOM 0 H LEU A 464 -12.395 -22.502 -2.000 1.00 34.41 H new ATOM 0 HA LEU A 464 -12.731 -23.607 0.546 1.00 23.22 H new ATOM 0 HB2 LEU A 464 -12.544 -20.811 -0.501 1.00 5.33 H new ATOM 0 HB3 LEU A 464 -12.995 -21.086 1.170 1.00 5.33 H new ATOM 0 HG LEU A 464 -10.883 -22.255 1.578 1.00 41.45 H new ATOM 0 HD11 LEU A 464 -9.082 -22.235 -0.059 1.00 22.04 H new ATOM 0 HD12 LEU A 464 -10.473 -23.208 -0.592 1.00 22.04 H new ATOM 0 HD13 LEU A 464 -10.205 -21.588 -1.279 1.00 22.04 H new ATOM 0 HD21 LEU A 464 -9.398 -20.285 1.359 1.00 53.20 H new ATOM 0 HD22 LEU A 464 -10.564 -19.547 0.235 1.00 53.20 H new ATOM 0 HD23 LEU A 464 -11.022 -19.833 1.931 1.00 53.20 H new ATOM 990 N ARG A 465 -15.391 -22.290 -0.817 1.00 2.03 N ATOM 991 CA ARG A 465 -16.849 -22.196 -0.677 1.00 11.52 C ATOM 992 C ARG A 465 -17.479 -23.586 -0.566 1.00 73.14 C ATOM 993 O ARG A 465 -18.626 -23.729 -0.165 1.00 34.12 O ATOM 994 CB ARG A 465 -17.492 -21.419 -1.835 1.00 73.11 C ATOM 995 CG ARG A 465 -16.988 -19.993 -2.009 1.00 62.11 C ATOM 996 CD ARG A 465 -17.100 -19.201 -0.720 1.00 32.13 C ATOM 997 NE ARG A 465 -16.713 -17.800 -0.906 1.00 64.40 N ATOM 998 CZ ARG A 465 -16.462 -16.921 0.083 1.00 4.12 C ATOM 999 NH1 ARG A 465 -16.595 -17.274 1.369 1.00 24.25 N ATOM 1000 NH2 ARG A 465 -16.110 -15.677 -0.221 1.00 4.02 N ATOM 0 H ARG A 465 -15.033 -21.999 -1.727 1.00 2.03 H new ATOM 0 HA ARG A 465 -17.042 -21.644 0.243 1.00 11.52 H new ATOM 0 HB2 ARG A 465 -17.317 -21.966 -2.761 1.00 73.11 H new ATOM 0 HB3 ARG A 465 -18.571 -21.391 -1.680 1.00 73.11 H new ATOM 0 HG2 ARG A 465 -15.949 -20.011 -2.337 1.00 62.11 H new ATOM 0 HG3 ARG A 465 -17.561 -19.497 -2.793 1.00 62.11 H new ATOM 0 HD2 ARG A 465 -18.125 -19.249 -0.352 1.00 32.13 H new ATOM 0 HD3 ARG A 465 -16.466 -19.655 0.042 1.00 32.13 H new ATOM 0 HE ARG A 465 -16.626 -17.462 -1.865 1.00 64.40 H new ATOM 0 HH11 ARG A 465 -16.890 -18.220 1.610 1.00 24.25 H new ATOM 0 HH12 ARG A 465 -16.401 -16.597 2.106 1.00 24.25 H new ATOM 0 HH21 ARG A 465 -16.031 -15.393 -1.198 1.00 4.02 H new ATOM 0 HH22 ARG A 465 -15.918 -15.005 0.522 1.00 4.02 H new ATOM 1014 N SER A 466 -16.728 -24.595 -0.935 1.00 63.35 N ATOM 1015 CA SER A 466 -17.167 -25.957 -0.812 1.00 54.13 C ATOM 1016 C SER A 466 -16.794 -26.485 0.585 1.00 14.44 C ATOM 1017 O SER A 466 -17.562 -27.226 1.207 1.00 72.01 O ATOM 1018 CB SER A 466 -16.532 -26.811 -1.921 1.00 2.31 C ATOM 1019 OG SER A 466 -16.998 -28.143 -1.889 1.00 23.32 O ATOM 0 H SER A 466 -15.793 -24.491 -1.330 1.00 63.35 H new ATOM 0 HA SER A 466 -18.250 -26.013 -0.925 1.00 54.13 H new ATOM 0 HB2 SER A 466 -16.757 -26.371 -2.892 1.00 2.31 H new ATOM 0 HB3 SER A 466 -15.448 -26.803 -1.810 1.00 2.31 H new ATOM 0 HG SER A 466 -16.574 -28.655 -2.609 1.00 23.32 H new ATOM 1025 N GLN A 467 -15.622 -26.064 1.077 1.00 1.35 N ATOM 1026 CA GLN A 467 -15.130 -26.460 2.403 1.00 4.34 C ATOM 1027 C GLN A 467 -15.887 -25.711 3.503 1.00 22.23 C ATOM 1028 O GLN A 467 -16.378 -26.303 4.468 1.00 22.21 O ATOM 1029 CB GLN A 467 -13.635 -26.172 2.511 1.00 43.13 C ATOM 1030 CG GLN A 467 -12.772 -26.949 1.535 1.00 63.44 C ATOM 1031 CD GLN A 467 -11.310 -26.593 1.668 1.00 4.44 C ATOM 1032 OE1 GLN A 467 -10.579 -27.196 2.448 1.00 55.24 O ATOM 1033 NE2 GLN A 467 -10.867 -25.627 0.906 1.00 45.11 N ATOM 0 H GLN A 467 -14.991 -25.443 0.571 1.00 1.35 H new ATOM 0 HA GLN A 467 -15.299 -27.529 2.531 1.00 4.34 H new ATOM 0 HB2 GLN A 467 -13.471 -25.106 2.352 1.00 43.13 H new ATOM 0 HB3 GLN A 467 -13.307 -26.398 3.526 1.00 43.13 H new ATOM 0 HG2 GLN A 467 -12.902 -28.018 1.706 1.00 63.44 H new ATOM 0 HG3 GLN A 467 -13.104 -26.747 0.517 1.00 63.44 H new ATOM 0 HE21 GLN A 467 -11.503 -25.147 0.269 1.00 45.11 H new ATOM 0 HE22 GLN A 467 -9.885 -25.353 0.949 1.00 45.11 H new ATOM 1042 N GLU A 468 -15.987 -24.411 3.323 1.00 42.21 N ATOM 1043 CA GLU A 468 -16.712 -23.504 4.212 1.00 12.34 C ATOM 1044 C GLU A 468 -18.209 -23.796 4.083 1.00 71.13 C ATOM 1045 O GLU A 468 -19.008 -23.515 4.992 1.00 13.01 O ATOM 1046 CB GLU A 468 -16.414 -22.069 3.749 1.00 3.33 C ATOM 1047 CG GLU A 468 -17.051 -20.953 4.544 1.00 74.32 C ATOM 1048 CD GLU A 468 -16.790 -19.609 3.904 1.00 61.31 C ATOM 1049 OE1 GLU A 468 -17.548 -19.226 2.981 1.00 33.31 O ATOM 1050 OE2 GLU A 468 -15.832 -18.911 4.298 1.00 31.35 O ATOM 0 H GLU A 468 -15.555 -23.933 2.532 1.00 42.21 H new ATOM 0 HA GLU A 468 -16.410 -23.632 5.252 1.00 12.34 H new ATOM 0 HB2 GLU A 468 -15.334 -21.924 3.764 1.00 3.33 H new ATOM 0 HB3 GLU A 468 -16.734 -21.973 2.711 1.00 3.33 H new ATOM 0 HG2 GLU A 468 -18.125 -21.122 4.617 1.00 74.32 H new ATOM 0 HG3 GLU A 468 -16.658 -20.957 5.561 1.00 74.32 H new