USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 607 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 433 GLN : amide:sc= -1.49! K(o=-2.3!,f=-3.8) USER MOD Set 1.2: A 437 MET CE :methyl -162:sc= -0.849 (180deg=-1.49!) USER MOD Set 2.1: A 431 TYR OH : rot 78:sc= 1.15 USER MOD Set 2.2: A 443 TYR OH : rot 30:sc= 0.982 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 418 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.64) USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 425 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot -117:sc= 0.905 USER MOD Single : A 429 THR OG1 : rot 79:sc= 0.157 USER MOD Single : A 432 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 439 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 442 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-0.72) USER MOD Single : A 445 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.9!) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot -43:sc= 1.01 USER MOD Single : A 463 GLN : amide:sc= -0.996 K(o=-1,f=-5.3!) USER MOD Single : A 466 SER OG : rot -83:sc= 1.29 USER MOD Single : A 467 GLN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 CYS SG : rot 72:sc= 0.785 USER MOD Single : A 475 SER OG : rot 180:sc= -0.015 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 403 0.156 43.767 -7.749 1.00 31.45 N ATOM 2 CA GLY A 403 1.020 42.589 -7.744 1.00 73.54 C ATOM 3 C GLY A 403 1.369 42.187 -6.341 1.00 70.34 C ATOM 4 O GLY A 403 2.349 42.676 -5.775 1.00 72.23 O ATOM 0 HA2 GLY A 403 0.519 41.763 -8.249 1.00 73.54 H new ATOM 0 HA3 GLY A 403 1.931 42.799 -8.304 1.00 73.54 H new ATOM 10 N SER A 404 0.568 41.319 -5.766 1.00 33.42 N ATOM 11 CA SER A 404 0.770 40.877 -4.418 1.00 21.24 C ATOM 12 C SER A 404 1.936 39.871 -4.333 1.00 61.01 C ATOM 13 O SER A 404 2.091 38.988 -5.193 1.00 42.44 O ATOM 14 CB SER A 404 -0.539 40.294 -3.871 1.00 11.10 C ATOM 15 OG SER A 404 -1.582 41.269 -3.900 1.00 55.43 O ATOM 0 H SER A 404 -0.241 40.903 -6.226 1.00 33.42 H new ATOM 0 HA SER A 404 1.050 41.728 -3.796 1.00 21.24 H new ATOM 0 HB2 SER A 404 -0.830 39.426 -4.462 1.00 11.10 H new ATOM 0 HB3 SER A 404 -0.388 39.947 -2.849 1.00 11.10 H new ATOM 0 HG SER A 404 -2.408 40.875 -3.548 1.00 55.43 H new ATOM 21 N LYS A 405 2.743 40.018 -3.301 1.00 1.14 N ATOM 22 CA LYS A 405 3.929 39.190 -3.080 1.00 72.51 C ATOM 23 C LYS A 405 3.539 37.757 -2.694 1.00 61.24 C ATOM 24 O LYS A 405 4.296 36.811 -2.921 1.00 22.42 O ATOM 25 CB LYS A 405 4.790 39.808 -1.964 1.00 43.22 C ATOM 26 CG LYS A 405 6.090 39.065 -1.699 1.00 12.12 C ATOM 27 CD LYS A 405 6.839 39.636 -0.515 1.00 33.20 C ATOM 28 CE LYS A 405 8.133 38.881 -0.276 1.00 31.21 C ATOM 29 NZ LYS A 405 8.839 39.348 0.942 1.00 22.13 N ATOM 0 H LYS A 405 2.598 40.723 -2.578 1.00 1.14 H new ATOM 0 HA LYS A 405 4.498 39.152 -4.009 1.00 72.51 H new ATOM 0 HB2 LYS A 405 5.021 40.840 -2.228 1.00 43.22 H new ATOM 0 HB3 LYS A 405 4.207 39.837 -1.044 1.00 43.22 H new ATOM 0 HG2 LYS A 405 5.875 38.012 -1.518 1.00 12.12 H new ATOM 0 HG3 LYS A 405 6.722 39.114 -2.585 1.00 12.12 H new ATOM 0 HD2 LYS A 405 7.056 40.690 -0.691 1.00 33.20 H new ATOM 0 HD3 LYS A 405 6.213 39.583 0.376 1.00 33.20 H new ATOM 0 HE2 LYS A 405 7.918 37.816 -0.183 1.00 31.21 H new ATOM 0 HE3 LYS A 405 8.786 39.001 -1.140 1.00 31.21 H new ATOM 0 HZ1 LYS A 405 9.717 38.804 1.065 1.00 22.13 H new ATOM 0 HZ2 LYS A 405 9.068 40.358 0.845 1.00 22.13 H new ATOM 0 HZ3 LYS A 405 8.228 39.210 1.772 1.00 22.13 H new ATOM 43 N ILE A 406 2.343 37.607 -2.169 1.00 24.52 N ATOM 44 CA ILE A 406 1.868 36.321 -1.660 1.00 74.33 C ATOM 45 C ILE A 406 1.268 35.457 -2.804 1.00 44.24 C ATOM 46 O ILE A 406 0.909 34.286 -2.606 1.00 23.44 O ATOM 47 CB ILE A 406 0.793 36.566 -0.540 1.00 43.55 C ATOM 48 CG1 ILE A 406 0.318 35.258 0.132 1.00 23.12 C ATOM 49 CG2 ILE A 406 -0.393 37.332 -1.098 1.00 13.04 C ATOM 50 CD1 ILE A 406 1.408 34.500 0.854 1.00 1.43 C ATOM 0 H ILE A 406 1.667 38.366 -2.079 1.00 24.52 H new ATOM 0 HA ILE A 406 2.713 35.777 -1.239 1.00 74.33 H new ATOM 0 HB ILE A 406 1.278 37.162 0.233 1.00 43.55 H new ATOM 0 HG12 ILE A 406 -0.475 35.495 0.841 1.00 23.12 H new ATOM 0 HG13 ILE A 406 -0.117 34.610 -0.628 1.00 23.12 H new ATOM 0 HG21 ILE A 406 -1.127 37.492 -0.308 1.00 13.04 H new ATOM 0 HG22 ILE A 406 -0.056 38.295 -1.481 1.00 13.04 H new ATOM 0 HG23 ILE A 406 -0.849 36.759 -1.906 1.00 13.04 H new ATOM 0 HD11 ILE A 406 0.990 33.596 1.297 1.00 1.43 H new ATOM 0 HD12 ILE A 406 2.192 34.229 0.147 1.00 1.43 H new ATOM 0 HD13 ILE A 406 1.829 35.128 1.640 1.00 1.43 H new ATOM 62 N GLU A 407 1.196 36.017 -3.995 1.00 34.44 N ATOM 63 CA GLU A 407 0.656 35.283 -5.135 1.00 34.02 C ATOM 64 C GLU A 407 1.602 34.173 -5.611 1.00 52.00 C ATOM 65 O GLU A 407 1.218 33.015 -5.607 1.00 55.42 O ATOM 66 CB GLU A 407 0.248 36.206 -6.278 1.00 72.52 C ATOM 67 CG GLU A 407 -0.825 37.185 -5.898 1.00 72.12 C ATOM 68 CD GLU A 407 -2.074 36.503 -5.425 1.00 70.03 C ATOM 69 OE1 GLU A 407 -2.840 36.006 -6.267 1.00 24.24 O ATOM 70 OE2 GLU A 407 -2.321 36.460 -4.210 1.00 50.51 O ATOM 0 H GLU A 407 1.500 36.968 -4.203 1.00 34.44 H new ATOM 0 HA GLU A 407 -0.253 34.796 -4.782 1.00 34.02 H new ATOM 0 HB2 GLU A 407 1.124 36.754 -6.623 1.00 72.52 H new ATOM 0 HB3 GLU A 407 -0.101 35.603 -7.116 1.00 72.52 H new ATOM 0 HG2 GLU A 407 -0.453 37.842 -5.112 1.00 72.12 H new ATOM 0 HG3 GLU A 407 -1.060 37.815 -6.756 1.00 72.12 H new ATOM 77 N PRO A 408 2.879 34.483 -5.995 1.00 54.04 N ATOM 78 CA PRO A 408 3.830 33.449 -6.454 1.00 70.10 C ATOM 79 C PRO A 408 4.223 32.460 -5.341 1.00 4.14 C ATOM 80 O PRO A 408 4.969 31.512 -5.573 1.00 44.43 O ATOM 81 CB PRO A 408 5.054 34.257 -6.900 1.00 53.02 C ATOM 82 CG PRO A 408 4.955 35.537 -6.151 1.00 30.14 C ATOM 83 CD PRO A 408 3.496 35.834 -6.045 1.00 71.31 C ATOM 0 HA PRO A 408 3.396 32.831 -7.240 1.00 70.10 H new ATOM 0 HB2 PRO A 408 5.981 33.733 -6.667 1.00 53.02 H new ATOM 0 HB3 PRO A 408 5.046 34.427 -7.977 1.00 53.02 H new ATOM 0 HG2 PRO A 408 5.409 35.449 -5.164 1.00 30.14 H new ATOM 0 HG3 PRO A 408 5.480 36.337 -6.673 1.00 30.14 H new ATOM 0 HD2 PRO A 408 3.267 36.415 -5.152 1.00 71.31 H new ATOM 0 HD3 PRO A 408 3.139 36.409 -6.899 1.00 71.31 H new ATOM 91 N VAL A 409 3.712 32.686 -4.144 1.00 65.31 N ATOM 92 CA VAL A 409 3.991 31.837 -3.002 1.00 15.11 C ATOM 93 C VAL A 409 3.089 30.593 -3.023 1.00 1.13 C ATOM 94 O VAL A 409 3.461 29.537 -2.513 1.00 51.23 O ATOM 95 CB VAL A 409 3.801 32.617 -1.663 1.00 64.22 C ATOM 96 CG1 VAL A 409 4.095 31.740 -0.447 1.00 64.04 C ATOM 97 CG2 VAL A 409 4.683 33.854 -1.641 1.00 45.53 C ATOM 0 H VAL A 409 3.089 33.467 -3.937 1.00 65.31 H new ATOM 0 HA VAL A 409 5.031 31.519 -3.067 1.00 15.11 H new ATOM 0 HB VAL A 409 2.755 32.920 -1.608 1.00 64.22 H new ATOM 0 HG11 VAL A 409 3.951 32.321 0.464 1.00 64.04 H new ATOM 0 HG12 VAL A 409 3.419 30.885 -0.443 1.00 64.04 H new ATOM 0 HG13 VAL A 409 5.125 31.387 -0.493 1.00 64.04 H new ATOM 0 HG21 VAL A 409 4.539 34.387 -0.701 1.00 45.53 H new ATOM 0 HG22 VAL A 409 5.728 33.558 -1.734 1.00 45.53 H new ATOM 0 HG23 VAL A 409 4.416 34.506 -2.472 1.00 45.53 H new ATOM 107 N VAL A 410 1.923 30.701 -3.662 1.00 42.12 N ATOM 108 CA VAL A 410 0.980 29.580 -3.681 1.00 51.43 C ATOM 109 C VAL A 410 1.515 28.409 -4.512 1.00 51.12 C ATOM 110 O VAL A 410 1.132 27.259 -4.299 1.00 54.32 O ATOM 111 CB VAL A 410 -0.446 29.981 -4.171 1.00 32.13 C ATOM 112 CG1 VAL A 410 -1.022 31.089 -3.312 1.00 63.40 C ATOM 113 CG2 VAL A 410 -0.451 30.377 -5.634 1.00 63.50 C ATOM 0 H VAL A 410 1.613 31.533 -4.163 1.00 42.12 H new ATOM 0 HA VAL A 410 0.883 29.262 -2.643 1.00 51.43 H new ATOM 0 HB VAL A 410 -1.081 29.101 -4.070 1.00 32.13 H new ATOM 0 HG11 VAL A 410 -2.016 31.350 -3.674 1.00 63.40 H new ATOM 0 HG12 VAL A 410 -1.090 30.750 -2.278 1.00 63.40 H new ATOM 0 HG13 VAL A 410 -0.375 31.964 -3.365 1.00 63.40 H new ATOM 0 HG21 VAL A 410 -1.463 30.649 -5.934 1.00 63.50 H new ATOM 0 HG22 VAL A 410 0.213 31.229 -5.783 1.00 63.50 H new ATOM 0 HG23 VAL A 410 -0.106 29.539 -6.239 1.00 63.50 H new ATOM 123 N LEU A 411 2.417 28.700 -5.431 1.00 15.12 N ATOM 124 CA LEU A 411 2.992 27.671 -6.279 1.00 71.55 C ATOM 125 C LEU A 411 3.882 26.705 -5.502 1.00 11.53 C ATOM 126 O LEU A 411 3.578 25.526 -5.464 1.00 63.10 O ATOM 127 CB LEU A 411 3.707 28.217 -7.537 1.00 21.53 C ATOM 128 CG LEU A 411 2.834 28.870 -8.632 1.00 14.13 C ATOM 129 CD1 LEU A 411 1.742 27.925 -9.117 1.00 41.31 C ATOM 130 CD2 LEU A 411 2.248 30.196 -8.175 1.00 71.41 C ATOM 0 H LEU A 411 2.768 29.641 -5.610 1.00 15.12 H new ATOM 0 HA LEU A 411 2.136 27.106 -6.648 1.00 71.55 H new ATOM 0 HB2 LEU A 411 4.443 28.952 -7.212 1.00 21.53 H new ATOM 0 HB3 LEU A 411 4.258 27.395 -7.993 1.00 21.53 H new ATOM 0 HG LEU A 411 3.491 29.079 -9.477 1.00 14.13 H new ATOM 0 HD11 LEU A 411 1.149 28.419 -9.886 1.00 41.31 H new ATOM 0 HD12 LEU A 411 2.197 27.025 -9.531 1.00 41.31 H new ATOM 0 HD13 LEU A 411 1.098 27.654 -8.281 1.00 41.31 H new ATOM 0 HD21 LEU A 411 1.641 30.621 -8.975 1.00 71.41 H new ATOM 0 HD22 LEU A 411 1.626 30.035 -7.294 1.00 71.41 H new ATOM 0 HD23 LEU A 411 3.056 30.885 -7.927 1.00 71.41 H new ATOM 142 N PRO A 412 4.997 27.175 -4.847 1.00 64.12 N ATOM 143 CA PRO A 412 5.875 26.290 -4.090 1.00 55.44 C ATOM 144 C PRO A 412 5.116 25.481 -3.026 1.00 21.42 C ATOM 145 O PRO A 412 5.464 24.324 -2.747 1.00 55.45 O ATOM 146 CB PRO A 412 6.907 27.223 -3.427 1.00 74.10 C ATOM 147 CG PRO A 412 6.371 28.600 -3.608 1.00 63.11 C ATOM 148 CD PRO A 412 5.503 28.559 -4.828 1.00 44.31 C ATOM 0 HA PRO A 412 6.336 25.548 -4.742 1.00 55.44 H new ATOM 0 HB2 PRO A 412 7.029 26.985 -2.370 1.00 74.10 H new ATOM 0 HB3 PRO A 412 7.887 27.119 -3.893 1.00 74.10 H new ATOM 0 HG2 PRO A 412 5.799 28.912 -2.734 1.00 63.11 H new ATOM 0 HG3 PRO A 412 7.181 29.319 -3.732 1.00 63.11 H new ATOM 0 HD2 PRO A 412 4.690 29.282 -4.766 1.00 44.31 H new ATOM 0 HD3 PRO A 412 6.068 28.792 -5.730 1.00 44.31 H new ATOM 156 N LEU A 413 4.058 26.091 -2.462 1.00 34.21 N ATOM 157 CA LEU A 413 3.226 25.457 -1.438 1.00 73.10 C ATOM 158 C LEU A 413 2.544 24.190 -1.941 1.00 73.01 C ATOM 159 O LEU A 413 2.248 23.287 -1.156 1.00 42.25 O ATOM 160 CB LEU A 413 2.184 26.427 -0.897 1.00 5.01 C ATOM 161 CG LEU A 413 2.730 27.658 -0.169 1.00 21.41 C ATOM 162 CD1 LEU A 413 1.590 28.483 0.364 1.00 15.02 C ATOM 163 CD2 LEU A 413 3.674 27.260 0.962 1.00 50.53 C ATOM 0 H LEU A 413 3.761 27.036 -2.707 1.00 34.21 H new ATOM 0 HA LEU A 413 3.900 25.171 -0.631 1.00 73.10 H new ATOM 0 HB2 LEU A 413 1.565 26.765 -1.728 1.00 5.01 H new ATOM 0 HB3 LEU A 413 1.531 25.884 -0.213 1.00 5.01 H new ATOM 0 HG LEU A 413 3.301 28.253 -0.882 1.00 21.41 H new ATOM 0 HD11 LEU A 413 1.985 29.358 0.881 1.00 15.02 H new ATOM 0 HD12 LEU A 413 0.956 28.805 -0.462 1.00 15.02 H new ATOM 0 HD13 LEU A 413 1.002 27.885 1.060 1.00 15.02 H new ATOM 0 HD21 LEU A 413 4.045 28.156 1.459 1.00 50.53 H new ATOM 0 HD22 LEU A 413 3.139 26.641 1.682 1.00 50.53 H new ATOM 0 HD23 LEU A 413 4.514 26.698 0.554 1.00 50.53 H new ATOM 175 N LEU A 414 2.333 24.113 -3.253 1.00 23.03 N ATOM 176 CA LEU A 414 1.691 22.961 -3.876 1.00 34.15 C ATOM 177 C LEU A 414 2.536 21.711 -3.630 1.00 52.44 C ATOM 178 O LEU A 414 2.017 20.635 -3.320 1.00 13.35 O ATOM 179 CB LEU A 414 1.540 23.209 -5.382 1.00 54.44 C ATOM 180 CG LEU A 414 0.817 22.135 -6.191 1.00 44.24 C ATOM 181 CD1 LEU A 414 -0.635 22.014 -5.751 1.00 44.23 C ATOM 182 CD2 LEU A 414 0.906 22.436 -7.676 1.00 43.13 C ATOM 0 H LEU A 414 2.601 24.845 -3.911 1.00 23.03 H new ATOM 0 HA LEU A 414 0.703 22.813 -3.441 1.00 34.15 H new ATOM 0 HB2 LEU A 414 1.009 24.151 -5.519 1.00 54.44 H new ATOM 0 HB3 LEU A 414 2.536 23.340 -5.806 1.00 54.44 H new ATOM 0 HG LEU A 414 1.307 21.179 -6.006 1.00 44.24 H new ATOM 0 HD11 LEU A 414 -1.131 21.243 -6.341 1.00 44.23 H new ATOM 0 HD12 LEU A 414 -0.674 21.745 -4.695 1.00 44.23 H new ATOM 0 HD13 LEU A 414 -1.141 22.967 -5.901 1.00 44.23 H new ATOM 0 HD21 LEU A 414 0.385 21.660 -8.236 1.00 43.13 H new ATOM 0 HD22 LEU A 414 0.445 23.402 -7.880 1.00 43.13 H new ATOM 0 HD23 LEU A 414 1.952 22.462 -7.980 1.00 43.13 H new ATOM 194 N TRP A 415 3.842 21.873 -3.730 1.00 1.20 N ATOM 195 CA TRP A 415 4.752 20.783 -3.488 1.00 73.51 C ATOM 196 C TRP A 415 4.845 20.432 -2.010 1.00 1.04 C ATOM 197 O TRP A 415 5.078 19.294 -1.657 1.00 60.10 O ATOM 198 CB TRP A 415 6.118 20.999 -4.122 1.00 4.12 C ATOM 199 CG TRP A 415 6.082 20.955 -5.617 1.00 4.13 C ATOM 200 CD1 TRP A 415 6.122 19.836 -6.401 1.00 21.45 C ATOM 201 CD2 TRP A 415 6.001 22.063 -6.510 1.00 14.24 C ATOM 202 NE1 TRP A 415 6.068 20.189 -7.722 1.00 1.21 N ATOM 203 CE2 TRP A 415 5.997 21.550 -7.817 1.00 63.12 C ATOM 204 CE3 TRP A 415 5.934 23.437 -6.331 1.00 3.24 C ATOM 205 CZ2 TRP A 415 5.927 22.369 -8.940 1.00 72.30 C ATOM 206 CZ3 TRP A 415 5.864 24.252 -7.442 1.00 51.14 C ATOM 207 CH2 TRP A 415 5.862 23.715 -8.731 1.00 74.40 C ATOM 0 H TRP A 415 4.292 22.754 -3.978 1.00 1.20 H new ATOM 0 HA TRP A 415 4.327 19.914 -3.990 1.00 73.51 H new ATOM 0 HB2 TRP A 415 6.513 21.963 -3.802 1.00 4.12 H new ATOM 0 HB3 TRP A 415 6.806 20.236 -3.758 1.00 4.12 H new ATOM 0 HD1 TRP A 415 6.187 18.823 -6.032 1.00 21.45 H new ATOM 0 HE1 TRP A 415 6.079 19.540 -8.509 1.00 1.21 H new ATOM 0 HE3 TRP A 415 5.937 23.862 -5.338 1.00 3.24 H new ATOM 0 HZ2 TRP A 415 5.924 21.955 -9.937 1.00 72.30 H new ATOM 0 HZ3 TRP A 415 5.810 25.323 -7.313 1.00 51.14 H new ATOM 0 HH2 TRP A 415 5.808 24.380 -9.580 1.00 74.40 H new ATOM 218 N PHE A 416 4.627 21.406 -1.142 1.00 23.13 N ATOM 219 CA PHE A 416 4.654 21.145 0.293 1.00 74.25 C ATOM 220 C PHE A 416 3.451 20.304 0.695 1.00 75.04 C ATOM 221 O PHE A 416 3.499 19.538 1.669 1.00 33.50 O ATOM 222 CB PHE A 416 4.735 22.435 1.135 1.00 12.25 C ATOM 223 CG PHE A 416 6.067 23.153 1.080 1.00 41.11 C ATOM 224 CD1 PHE A 416 7.049 22.877 2.017 1.00 71.03 C ATOM 225 CD2 PHE A 416 6.331 24.101 0.115 1.00 24.52 C ATOM 226 CE1 PHE A 416 8.263 23.532 1.986 1.00 2.22 C ATOM 227 CE2 PHE A 416 7.543 24.759 0.075 1.00 61.41 C ATOM 228 CZ PHE A 416 8.509 24.476 1.012 1.00 32.23 C ATOM 0 H PHE A 416 4.431 22.374 -1.398 1.00 23.13 H new ATOM 0 HA PHE A 416 5.567 20.587 0.503 1.00 74.25 H new ATOM 0 HB2 PHE A 416 3.956 23.120 0.799 1.00 12.25 H new ATOM 0 HB3 PHE A 416 4.515 22.187 2.174 1.00 12.25 H new ATOM 0 HD1 PHE A 416 6.862 22.139 2.783 1.00 71.03 H new ATOM 0 HD2 PHE A 416 5.576 24.333 -0.622 1.00 24.52 H new ATOM 0 HE1 PHE A 416 9.019 23.306 2.723 1.00 2.22 H new ATOM 0 HE2 PHE A 416 7.733 25.496 -0.692 1.00 61.41 H new ATOM 0 HZ PHE A 416 9.457 24.992 0.985 1.00 32.23 H new ATOM 238 N GLU A 417 2.393 20.432 -0.075 1.00 41.43 N ATOM 239 CA GLU A 417 1.180 19.706 0.143 1.00 4.24 C ATOM 240 C GLU A 417 1.425 18.248 -0.222 1.00 22.11 C ATOM 241 O GLU A 417 1.173 17.342 0.565 1.00 32.00 O ATOM 242 CB GLU A 417 0.101 20.298 -0.764 1.00 30.33 C ATOM 243 CG GLU A 417 -1.273 19.642 -0.663 1.00 40.12 C ATOM 244 CD GLU A 417 -1.937 19.802 0.670 1.00 40.52 C ATOM 245 OE1 GLU A 417 -2.650 20.804 0.860 1.00 1.13 O ATOM 246 OE2 GLU A 417 -1.790 18.916 1.544 1.00 23.13 O ATOM 0 H GLU A 417 2.360 21.056 -0.881 1.00 41.43 H new ATOM 0 HA GLU A 417 0.860 19.772 1.183 1.00 4.24 H new ATOM 0 HB2 GLU A 417 -0.003 21.358 -0.532 1.00 30.33 H new ATOM 0 HB3 GLU A 417 0.442 20.230 -1.797 1.00 30.33 H new ATOM 0 HG2 GLU A 417 -1.921 20.064 -1.431 1.00 40.12 H new ATOM 0 HG3 GLU A 417 -1.172 18.579 -0.880 1.00 40.12 H new ATOM 253 N GLN A 418 1.992 18.043 -1.392 1.00 34.22 N ATOM 254 CA GLN A 418 2.231 16.708 -1.894 1.00 53.20 C ATOM 255 C GLN A 418 3.406 16.022 -1.204 1.00 60.13 C ATOM 256 O GLN A 418 3.612 14.830 -1.357 1.00 34.10 O ATOM 257 CB GLN A 418 2.320 16.698 -3.429 1.00 11.54 C ATOM 258 CG GLN A 418 3.487 17.451 -4.076 1.00 73.12 C ATOM 259 CD GLN A 418 4.822 16.711 -4.038 1.00 51.04 C ATOM 260 OE1 GLN A 418 5.608 16.857 -3.119 1.00 60.41 O ATOM 261 NE2 GLN A 418 5.076 15.906 -5.038 1.00 2.02 N ATOM 0 H GLN A 418 2.297 18.790 -2.016 1.00 34.22 H new ATOM 0 HA GLN A 418 1.366 16.098 -1.634 1.00 53.20 H new ATOM 0 HB2 GLN A 418 2.368 15.659 -3.756 1.00 11.54 H new ATOM 0 HB3 GLN A 418 1.392 17.114 -3.822 1.00 11.54 H new ATOM 0 HG2 GLN A 418 3.234 17.663 -5.115 1.00 73.12 H new ATOM 0 HG3 GLN A 418 3.605 18.411 -3.574 1.00 73.12 H new ATOM 0 HE21 GLN A 418 4.399 15.803 -5.794 1.00 2.02 H new ATOM 0 HE22 GLN A 418 5.950 15.381 -5.061 1.00 2.02 H new ATOM 270 N SER A 419 4.192 16.795 -0.490 1.00 53.11 N ATOM 271 CA SER A 419 5.301 16.263 0.264 1.00 51.30 C ATOM 272 C SER A 419 4.849 15.936 1.689 1.00 3.52 C ATOM 273 O SER A 419 5.570 15.291 2.448 1.00 23.51 O ATOM 274 CB SER A 419 6.452 17.287 0.282 1.00 22.33 C ATOM 275 OG SER A 419 7.611 16.792 0.948 1.00 63.24 O ATOM 0 H SER A 419 4.080 17.806 -0.416 1.00 53.11 H new ATOM 0 HA SER A 419 5.656 15.346 -0.206 1.00 51.30 H new ATOM 0 HB2 SER A 419 6.712 17.555 -0.742 1.00 22.33 H new ATOM 0 HB3 SER A 419 6.115 18.199 0.775 1.00 22.33 H new ATOM 0 HG SER A 419 8.314 17.475 0.933 1.00 63.24 H new ATOM 281 N GLY A 420 3.646 16.388 2.044 1.00 35.32 N ATOM 282 CA GLY A 420 3.133 16.179 3.389 1.00 45.13 C ATOM 283 C GLY A 420 3.844 17.057 4.403 1.00 24.42 C ATOM 284 O GLY A 420 3.775 16.824 5.599 1.00 53.22 O ATOM 0 H GLY A 420 3.017 16.896 1.422 1.00 35.32 H new ATOM 0 HA2 GLY A 420 2.064 16.393 3.408 1.00 45.13 H new ATOM 0 HA3 GLY A 420 3.254 15.132 3.666 1.00 45.13 H new ATOM 288 N ALA A 421 4.486 18.103 3.908 1.00 74.42 N ATOM 289 CA ALA A 421 5.284 19.009 4.730 1.00 70.42 C ATOM 290 C ALA A 421 4.411 19.812 5.685 1.00 41.32 C ATOM 291 O ALA A 421 4.875 20.298 6.714 1.00 63.20 O ATOM 292 CB ALA A 421 6.116 19.923 3.854 1.00 50.34 C ATOM 0 H ALA A 421 4.470 18.352 2.919 1.00 74.42 H new ATOM 0 HA ALA A 421 5.958 18.406 5.338 1.00 70.42 H new ATOM 0 HB1 ALA A 421 6.705 20.592 4.482 1.00 50.34 H new ATOM 0 HB2 ALA A 421 6.784 19.324 3.235 1.00 50.34 H new ATOM 0 HB3 ALA A 421 5.458 20.511 3.214 1.00 50.34 H new ATOM 298 N MET A 422 3.151 19.958 5.324 1.00 4.42 N ATOM 299 CA MET A 422 2.187 20.671 6.154 1.00 22.13 C ATOM 300 C MET A 422 1.632 19.753 7.247 1.00 64.13 C ATOM 301 O MET A 422 0.864 20.188 8.106 1.00 2.30 O ATOM 302 CB MET A 422 1.027 21.193 5.298 1.00 23.20 C ATOM 303 CG MET A 422 1.424 22.189 4.228 1.00 54.12 C ATOM 304 SD MET A 422 0.019 22.716 3.229 1.00 44.52 S ATOM 305 CE MET A 422 0.822 23.862 2.105 1.00 40.13 C ATOM 0 H MET A 422 2.764 19.591 4.455 1.00 4.42 H new ATOM 0 HA MET A 422 2.702 21.512 6.619 1.00 22.13 H new ATOM 0 HB2 MET A 422 0.536 20.345 4.821 1.00 23.20 H new ATOM 0 HB3 MET A 422 0.292 21.659 5.954 1.00 23.20 H new ATOM 0 HG2 MET A 422 1.881 23.060 4.697 1.00 54.12 H new ATOM 0 HG3 MET A 422 2.180 21.743 3.582 1.00 54.12 H new ATOM 0 HE1 MET A 422 0.083 24.276 1.419 1.00 40.13 H new ATOM 0 HE2 MET A 422 1.281 24.670 2.675 1.00 40.13 H new ATOM 0 HE3 MET A 422 1.590 23.337 1.537 1.00 40.13 H new ATOM 315 N GLY A 423 2.018 18.488 7.207 1.00 42.35 N ATOM 316 CA GLY A 423 1.513 17.527 8.166 1.00 1.11 C ATOM 317 C GLY A 423 0.187 16.955 7.723 1.00 61.21 C ATOM 318 O GLY A 423 -0.539 16.349 8.515 1.00 62.23 O ATOM 0 H GLY A 423 2.674 18.108 6.525 1.00 42.35 H new ATOM 0 HA2 GLY A 423 2.236 16.721 8.291 1.00 1.11 H new ATOM 0 HA3 GLY A 423 1.398 18.006 9.138 1.00 1.11 H new ATOM 322 N GLY A 424 -0.116 17.148 6.452 1.00 61.33 N ATOM 323 CA GLY A 424 -1.356 16.684 5.892 1.00 32.40 C ATOM 324 C GLY A 424 -1.402 15.181 5.772 1.00 60.40 C ATOM 325 O GLY A 424 -0.354 14.520 5.623 1.00 22.35 O ATOM 0 H GLY A 424 0.492 17.629 5.789 1.00 61.33 H new ATOM 0 HA2 GLY A 424 -2.183 17.022 6.516 1.00 32.40 H new ATOM 0 HA3 GLY A 424 -1.497 17.130 4.907 1.00 32.40 H new ATOM 329 N LYS A 425 -2.597 14.639 5.855 1.00 71.15 N ATOM 330 CA LYS A 425 -2.812 13.214 5.755 1.00 13.50 C ATOM 331 C LYS A 425 -2.457 12.714 4.347 1.00 43.31 C ATOM 332 O LYS A 425 -2.569 13.477 3.368 1.00 61.12 O ATOM 333 CB LYS A 425 -4.273 12.873 6.116 1.00 42.14 C ATOM 334 CG LYS A 425 -5.321 13.530 5.220 1.00 3.13 C ATOM 335 CD LYS A 425 -6.746 13.217 5.677 1.00 3.42 C ATOM 336 CE LYS A 425 -7.024 13.740 7.086 1.00 40.12 C ATOM 337 NZ LYS A 425 -8.421 13.489 7.504 1.00 25.14 N ATOM 0 H LYS A 425 -3.451 15.179 5.995 1.00 71.15 H new ATOM 0 HA LYS A 425 -2.158 12.706 6.463 1.00 13.50 H new ATOM 0 HB2 LYS A 425 -4.402 11.792 6.070 1.00 42.14 H new ATOM 0 HB3 LYS A 425 -4.458 13.172 7.148 1.00 42.14 H new ATOM 0 HG2 LYS A 425 -5.170 14.610 5.218 1.00 3.13 H new ATOM 0 HG3 LYS A 425 -5.186 13.187 4.194 1.00 3.13 H new ATOM 0 HD2 LYS A 425 -7.456 13.661 4.979 1.00 3.42 H new ATOM 0 HD3 LYS A 425 -6.906 12.139 5.652 1.00 3.42 H new ATOM 0 HE2 LYS A 425 -6.343 13.263 7.791 1.00 40.12 H new ATOM 0 HE3 LYS A 425 -6.821 14.810 7.122 1.00 40.12 H new ATOM 0 HZ1 LYS A 425 -8.568 13.859 8.465 1.00 25.14 H new ATOM 0 HZ2 LYS A 425 -9.071 13.965 6.847 1.00 25.14 H new ATOM 0 HZ3 LYS A 425 -8.608 12.466 7.495 1.00 25.14 H new ATOM 351 N PRO A 426 -2.023 11.428 4.222 1.00 50.14 N ATOM 352 CA PRO A 426 -1.613 10.825 2.941 1.00 65.11 C ATOM 353 C PRO A 426 -2.619 11.051 1.816 1.00 51.12 C ATOM 354 O PRO A 426 -2.241 11.206 0.663 1.00 43.12 O ATOM 355 CB PRO A 426 -1.503 9.319 3.257 1.00 42.21 C ATOM 356 CG PRO A 426 -2.071 9.157 4.629 1.00 74.22 C ATOM 357 CD PRO A 426 -1.871 10.467 5.320 1.00 25.42 C ATOM 0 HA PRO A 426 -0.687 11.273 2.581 1.00 65.11 H new ATOM 0 HB2 PRO A 426 -2.056 8.724 2.530 1.00 42.21 H new ATOM 0 HB3 PRO A 426 -0.466 8.985 3.219 1.00 42.21 H new ATOM 0 HG2 PRO A 426 -3.129 8.898 4.584 1.00 74.22 H new ATOM 0 HG3 PRO A 426 -1.568 8.353 5.166 1.00 74.22 H new ATOM 0 HD2 PRO A 426 -2.608 10.628 6.106 1.00 25.42 H new ATOM 0 HD3 PRO A 426 -0.888 10.535 5.786 1.00 25.42 H new ATOM 365 N LEU A 427 -3.892 11.102 2.163 1.00 13.01 N ATOM 366 CA LEU A 427 -4.943 11.301 1.181 1.00 50.42 C ATOM 367 C LEU A 427 -4.763 12.630 0.441 1.00 2.42 C ATOM 368 O LEU A 427 -4.783 12.667 -0.785 1.00 50.20 O ATOM 369 CB LEU A 427 -6.350 11.210 1.810 1.00 22.23 C ATOM 370 CG LEU A 427 -6.785 9.853 2.410 1.00 23.25 C ATOM 371 CD1 LEU A 427 -6.637 8.733 1.398 1.00 54.11 C ATOM 372 CD2 LEU A 427 -6.064 9.528 3.713 1.00 42.40 C ATOM 0 H LEU A 427 -4.225 11.008 3.123 1.00 13.01 H new ATOM 0 HA LEU A 427 -4.859 10.491 0.457 1.00 50.42 H new ATOM 0 HB2 LEU A 427 -6.414 11.960 2.598 1.00 22.23 H new ATOM 0 HB3 LEU A 427 -7.077 11.487 1.046 1.00 22.23 H new ATOM 0 HG LEU A 427 -7.842 9.945 2.659 1.00 23.25 H new ATOM 0 HD11 LEU A 427 -6.950 7.791 1.849 1.00 54.11 H new ATOM 0 HD12 LEU A 427 -7.259 8.944 0.528 1.00 54.11 H new ATOM 0 HD13 LEU A 427 -5.595 8.658 1.088 1.00 54.11 H new ATOM 0 HD21 LEU A 427 -6.408 8.565 4.089 1.00 42.40 H new ATOM 0 HD22 LEU A 427 -4.990 9.484 3.533 1.00 42.40 H new ATOM 0 HD23 LEU A 427 -6.277 10.302 4.450 1.00 42.40 H new ATOM 384 N SER A 428 -4.525 13.700 1.186 1.00 24.34 N ATOM 385 CA SER A 428 -4.311 15.003 0.587 1.00 33.22 C ATOM 386 C SER A 428 -3.007 14.975 -0.202 1.00 31.35 C ATOM 387 O SER A 428 -2.909 15.550 -1.290 1.00 50.34 O ATOM 388 CB SER A 428 -4.267 16.104 1.671 1.00 32.40 C ATOM 389 OG SER A 428 -4.120 17.403 1.096 1.00 21.34 O ATOM 0 H SER A 428 -4.476 13.688 2.205 1.00 24.34 H new ATOM 0 HA SER A 428 -5.139 15.233 -0.084 1.00 33.22 H new ATOM 0 HB2 SER A 428 -5.181 16.069 2.263 1.00 32.40 H new ATOM 0 HB3 SER A 428 -3.438 15.911 2.353 1.00 32.40 H new ATOM 0 HG SER A 428 -3.275 17.800 1.396 1.00 21.34 H new ATOM 395 N THR A 429 -2.032 14.262 0.336 1.00 33.34 N ATOM 396 CA THR A 429 -0.736 14.125 -0.275 1.00 75.33 C ATOM 397 C THR A 429 -0.854 13.529 -1.705 1.00 24.00 C ATOM 398 O THR A 429 -0.377 14.127 -2.678 1.00 53.12 O ATOM 399 CB THR A 429 0.141 13.210 0.607 1.00 31.44 C ATOM 400 OG1 THR A 429 0.214 13.747 1.945 1.00 72.24 O ATOM 401 CG2 THR A 429 1.539 13.081 0.046 1.00 33.41 C ATOM 0 H THR A 429 -2.127 13.760 1.219 1.00 33.34 H new ATOM 0 HA THR A 429 -0.279 15.111 -0.359 1.00 75.33 H new ATOM 0 HB THR A 429 -0.317 12.221 0.624 1.00 31.44 H new ATOM 0 HG1 THR A 429 -0.604 13.519 2.434 1.00 72.24 H new ATOM 0 HG21 THR A 429 2.131 12.431 0.690 1.00 33.41 H new ATOM 0 HG22 THR A 429 1.491 12.654 -0.956 1.00 33.41 H new ATOM 0 HG23 THR A 429 2.004 14.066 -0.001 1.00 33.41 H new ATOM 409 N PHE A 430 -1.517 12.378 -1.831 1.00 31.30 N ATOM 410 CA PHE A 430 -1.689 11.747 -3.132 1.00 41.13 C ATOM 411 C PHE A 430 -2.644 12.499 -4.050 1.00 32.31 C ATOM 412 O PHE A 430 -2.308 12.751 -5.195 1.00 30.12 O ATOM 413 CB PHE A 430 -2.079 10.276 -3.015 1.00 12.31 C ATOM 414 CG PHE A 430 -0.999 9.446 -2.400 1.00 1.23 C ATOM 415 CD1 PHE A 430 -0.998 9.193 -1.054 1.00 20.24 C ATOM 416 CD2 PHE A 430 0.028 8.942 -3.175 1.00 53.43 C ATOM 417 CE1 PHE A 430 -0.006 8.458 -0.472 1.00 50.41 C ATOM 418 CE2 PHE A 430 1.033 8.194 -2.603 1.00 24.30 C ATOM 419 CZ PHE A 430 1.018 7.950 -1.244 1.00 3.40 C ATOM 0 H PHE A 430 -1.939 11.871 -1.053 1.00 31.30 H new ATOM 0 HA PHE A 430 -0.708 11.794 -3.604 1.00 41.13 H new ATOM 0 HB2 PHE A 430 -2.985 10.190 -2.415 1.00 12.31 H new ATOM 0 HB3 PHE A 430 -2.314 9.886 -4.005 1.00 12.31 H new ATOM 0 HD1 PHE A 430 -1.798 9.583 -0.441 1.00 20.24 H new ATOM 0 HD2 PHE A 430 0.043 9.136 -4.237 1.00 53.43 H new ATOM 0 HE1 PHE A 430 -0.023 8.274 0.592 1.00 50.41 H new ATOM 0 HE2 PHE A 430 1.830 7.800 -3.215 1.00 24.30 H new ATOM 0 HZ PHE A 430 1.803 7.365 -0.788 1.00 3.40 H new ATOM 429 N TYR A 431 -3.813 12.886 -3.547 1.00 60.50 N ATOM 430 CA TYR A 431 -4.804 13.569 -4.389 1.00 44.04 C ATOM 431 C TYR A 431 -4.322 14.896 -4.973 1.00 24.43 C ATOM 432 O TYR A 431 -4.710 15.258 -6.085 1.00 31.32 O ATOM 433 CB TYR A 431 -6.181 13.703 -3.729 1.00 43.25 C ATOM 434 CG TYR A 431 -6.946 12.393 -3.629 1.00 52.10 C ATOM 435 CD1 TYR A 431 -7.569 11.859 -4.745 1.00 44.44 C ATOM 436 CD2 TYR A 431 -7.055 11.704 -2.432 1.00 55.45 C ATOM 437 CE1 TYR A 431 -8.274 10.679 -4.675 1.00 12.11 C ATOM 438 CE2 TYR A 431 -7.759 10.521 -2.350 1.00 71.43 C ATOM 439 CZ TYR A 431 -8.366 10.014 -3.477 1.00 12.12 C ATOM 440 OH TYR A 431 -9.069 8.830 -3.404 1.00 31.22 O ATOM 0 H TYR A 431 -4.099 12.744 -2.578 1.00 60.50 H new ATOM 0 HA TYR A 431 -4.930 12.898 -5.239 1.00 44.04 H new ATOM 0 HB2 TYR A 431 -6.055 14.116 -2.728 1.00 43.25 H new ATOM 0 HB3 TYR A 431 -6.777 14.418 -4.296 1.00 43.25 H new ATOM 0 HD1 TYR A 431 -7.500 12.379 -5.689 1.00 44.44 H new ATOM 0 HD2 TYR A 431 -6.580 12.101 -1.547 1.00 55.45 H new ATOM 0 HE1 TYR A 431 -8.752 10.279 -5.557 1.00 12.11 H new ATOM 0 HE2 TYR A 431 -7.834 9.996 -1.409 1.00 71.43 H new ATOM 0 HH TYR A 431 -8.523 8.103 -3.770 1.00 31.22 H new ATOM 450 N THR A 432 -3.493 15.613 -4.245 1.00 2.44 N ATOM 451 CA THR A 432 -2.980 16.876 -4.744 1.00 31.14 C ATOM 452 C THR A 432 -1.984 16.654 -5.899 1.00 12.12 C ATOM 453 O THR A 432 -2.102 17.269 -6.959 1.00 52.10 O ATOM 454 CB THR A 432 -2.311 17.684 -3.626 1.00 73.44 C ATOM 455 OG1 THR A 432 -3.242 17.835 -2.545 1.00 54.33 O ATOM 456 CG2 THR A 432 -1.910 19.065 -4.130 1.00 73.13 C ATOM 0 H THR A 432 -3.162 15.350 -3.317 1.00 2.44 H new ATOM 0 HA THR A 432 -3.830 17.444 -5.121 1.00 31.14 H new ATOM 0 HB THR A 432 -1.417 17.157 -3.293 1.00 73.44 H new ATOM 0 HG1 THR A 432 -3.155 17.077 -1.930 1.00 54.33 H new ATOM 0 HG21 THR A 432 -1.437 19.624 -3.323 1.00 73.13 H new ATOM 0 HG22 THR A 432 -1.209 18.961 -4.958 1.00 73.13 H new ATOM 0 HG23 THR A 432 -2.797 19.600 -4.470 1.00 73.13 H new ATOM 464 N GLN A 433 -1.025 15.754 -5.699 1.00 25.41 N ATOM 465 CA GLN A 433 -0.031 15.468 -6.732 1.00 65.34 C ATOM 466 C GLN A 433 -0.653 14.764 -7.914 1.00 31.35 C ATOM 467 O GLN A 433 -0.198 14.906 -9.024 1.00 52.10 O ATOM 468 CB GLN A 433 1.174 14.710 -6.193 1.00 10.31 C ATOM 469 CG GLN A 433 0.851 13.404 -5.513 1.00 12.14 C ATOM 470 CD GLN A 433 2.079 12.718 -4.978 1.00 72.43 C ATOM 471 OE1 GLN A 433 3.166 12.848 -5.531 1.00 53.35 O ATOM 472 NE2 GLN A 433 1.926 12.010 -3.894 1.00 44.20 N ATOM 0 H GLN A 433 -0.914 15.214 -4.840 1.00 25.41 H new ATOM 0 HA GLN A 433 0.345 16.430 -7.080 1.00 65.34 H new ATOM 0 HB2 GLN A 433 1.860 14.514 -7.017 1.00 10.31 H new ATOM 0 HB3 GLN A 433 1.701 15.350 -5.486 1.00 10.31 H new ATOM 0 HG2 GLN A 433 0.154 13.586 -4.695 1.00 12.14 H new ATOM 0 HG3 GLN A 433 0.348 12.744 -6.220 1.00 12.14 H new ATOM 0 HE21 GLN A 433 1.004 11.927 -3.465 1.00 44.20 H new ATOM 0 HE22 GLN A 433 2.728 11.539 -3.475 1.00 44.20 H new ATOM 481 N LEU A 434 -1.708 14.019 -7.654 1.00 10.42 N ATOM 482 CA LEU A 434 -2.459 13.280 -8.674 1.00 10.24 C ATOM 483 C LEU A 434 -2.935 14.223 -9.793 1.00 51.10 C ATOM 484 O LEU A 434 -3.020 13.828 -10.959 1.00 13.14 O ATOM 485 CB LEU A 434 -3.639 12.536 -7.963 1.00 50.50 C ATOM 486 CG LEU A 434 -4.630 11.679 -8.785 1.00 1.34 C ATOM 487 CD1 LEU A 434 -5.428 10.793 -7.841 1.00 24.12 C ATOM 488 CD2 LEU A 434 -5.617 12.552 -9.552 1.00 25.24 C ATOM 0 H LEU A 434 -2.083 13.902 -6.713 1.00 10.42 H new ATOM 0 HA LEU A 434 -1.824 12.540 -9.161 1.00 10.24 H new ATOM 0 HB2 LEU A 434 -3.201 11.885 -7.206 1.00 50.50 H new ATOM 0 HB3 LEU A 434 -4.224 13.289 -7.436 1.00 50.50 H new ATOM 0 HG LEU A 434 -4.051 11.086 -9.493 1.00 1.34 H new ATOM 0 HD11 LEU A 434 -6.128 10.187 -8.416 1.00 24.12 H new ATOM 0 HD12 LEU A 434 -4.748 10.141 -7.293 1.00 24.12 H new ATOM 0 HD13 LEU A 434 -5.980 11.416 -7.137 1.00 24.12 H new ATOM 0 HD21 LEU A 434 -6.299 11.918 -10.119 1.00 25.24 H new ATOM 0 HD22 LEU A 434 -6.187 13.161 -8.850 1.00 25.24 H new ATOM 0 HD23 LEU A 434 -5.072 13.202 -10.237 1.00 25.24 H new ATOM 500 N VAL A 435 -3.194 15.469 -9.431 1.00 72.11 N ATOM 501 CA VAL A 435 -3.634 16.477 -10.381 1.00 24.33 C ATOM 502 C VAL A 435 -2.545 16.747 -11.438 1.00 74.13 C ATOM 503 O VAL A 435 -2.850 17.055 -12.597 1.00 2.21 O ATOM 504 CB VAL A 435 -4.016 17.808 -9.658 1.00 15.30 C ATOM 505 CG1 VAL A 435 -4.494 18.867 -10.645 1.00 11.34 C ATOM 506 CG2 VAL A 435 -5.083 17.556 -8.607 1.00 35.11 C ATOM 0 H VAL A 435 -3.105 15.809 -8.473 1.00 72.11 H new ATOM 0 HA VAL A 435 -4.522 16.090 -10.881 1.00 24.33 H new ATOM 0 HB VAL A 435 -3.117 18.185 -9.171 1.00 15.30 H new ATOM 0 HG11 VAL A 435 -4.751 19.778 -10.105 1.00 11.34 H new ATOM 0 HG12 VAL A 435 -3.701 19.081 -11.362 1.00 11.34 H new ATOM 0 HG13 VAL A 435 -5.373 18.500 -11.175 1.00 11.34 H new ATOM 0 HG21 VAL A 435 -5.337 18.494 -8.114 1.00 35.11 H new ATOM 0 HG22 VAL A 435 -5.973 17.144 -9.083 1.00 35.11 H new ATOM 0 HG23 VAL A 435 -4.706 16.848 -7.869 1.00 35.11 H new ATOM 516 N LEU A 436 -1.287 16.596 -11.057 1.00 20.02 N ATOM 517 CA LEU A 436 -0.204 16.871 -11.973 1.00 74.42 C ATOM 518 C LEU A 436 0.518 15.609 -12.435 1.00 14.32 C ATOM 519 O LEU A 436 1.080 15.569 -13.523 1.00 72.54 O ATOM 520 CB LEU A 436 0.772 17.852 -11.316 1.00 33.31 C ATOM 521 CG LEU A 436 1.437 17.439 -10.004 1.00 1.13 C ATOM 522 CD1 LEU A 436 2.660 16.571 -10.224 1.00 65.20 C ATOM 523 CD2 LEU A 436 1.767 18.650 -9.229 1.00 41.04 C ATOM 0 H LEU A 436 -0.997 16.288 -10.129 1.00 20.02 H new ATOM 0 HA LEU A 436 -0.631 17.317 -12.872 1.00 74.42 H new ATOM 0 HB2 LEU A 436 1.561 18.068 -12.036 1.00 33.31 H new ATOM 0 HB3 LEU A 436 0.237 18.785 -11.139 1.00 33.31 H new ATOM 0 HG LEU A 436 0.734 16.827 -9.439 1.00 1.13 H new ATOM 0 HD11 LEU A 436 3.095 16.305 -9.261 1.00 65.20 H new ATOM 0 HD12 LEU A 436 2.372 15.664 -10.755 1.00 65.20 H new ATOM 0 HD13 LEU A 436 3.394 17.119 -10.815 1.00 65.20 H new ATOM 0 HD21 LEU A 436 2.242 18.363 -8.291 1.00 41.04 H new ATOM 0 HD22 LEU A 436 2.449 19.276 -9.805 1.00 41.04 H new ATOM 0 HD23 LEU A 436 0.854 19.207 -9.018 1.00 41.04 H new ATOM 535 N MET A 437 0.483 14.591 -11.606 1.00 64.42 N ATOM 536 CA MET A 437 1.201 13.360 -11.848 1.00 61.11 C ATOM 537 C MET A 437 0.273 12.277 -12.415 1.00 31.25 C ATOM 538 O MET A 437 -0.565 11.723 -11.684 1.00 15.22 O ATOM 539 CB MET A 437 1.850 12.918 -10.544 1.00 62.21 C ATOM 540 CG MET A 437 2.885 11.830 -10.668 1.00 11.21 C ATOM 541 SD MET A 437 3.662 11.463 -9.076 1.00 62.45 S ATOM 542 CE MET A 437 4.218 13.107 -8.588 1.00 11.45 C ATOM 0 H MET A 437 -0.050 14.594 -10.736 1.00 64.42 H new ATOM 0 HA MET A 437 1.974 13.525 -12.598 1.00 61.11 H new ATOM 0 HB2 MET A 437 2.316 13.786 -10.078 1.00 62.21 H new ATOM 0 HB3 MET A 437 1.067 12.575 -9.867 1.00 62.21 H new ATOM 0 HG2 MET A 437 2.419 10.927 -11.062 1.00 11.21 H new ATOM 0 HG3 MET A 437 3.648 12.134 -11.384 1.00 11.21 H new ATOM 0 HE1 MET A 437 4.978 13.019 -7.811 1.00 11.45 H new ATOM 0 HE2 MET A 437 4.641 13.620 -9.452 1.00 11.45 H new ATOM 0 HE3 MET A 437 3.372 13.678 -8.205 1.00 11.45 H new ATOM 552 N PRO A 438 0.406 11.965 -13.713 1.00 12.54 N ATOM 553 CA PRO A 438 -0.446 10.981 -14.404 1.00 63.45 C ATOM 554 C PRO A 438 -0.419 9.584 -13.777 1.00 2.35 C ATOM 555 O PRO A 438 -1.442 8.908 -13.717 1.00 63.53 O ATOM 556 CB PRO A 438 0.134 10.922 -15.822 1.00 21.13 C ATOM 557 CG PRO A 438 0.867 12.203 -15.993 1.00 1.41 C ATOM 558 CD PRO A 438 1.389 12.571 -14.638 1.00 11.13 C ATOM 0 HA PRO A 438 -1.492 11.285 -14.354 1.00 63.45 H new ATOM 0 HB2 PRO A 438 0.800 10.068 -15.940 1.00 21.13 H new ATOM 0 HB3 PRO A 438 -0.655 10.817 -16.567 1.00 21.13 H new ATOM 0 HG2 PRO A 438 1.683 12.092 -16.707 1.00 1.41 H new ATOM 0 HG3 PRO A 438 0.208 12.980 -16.380 1.00 1.41 H new ATOM 0 HD2 PRO A 438 2.392 12.176 -14.473 1.00 11.13 H new ATOM 0 HD3 PRO A 438 1.447 13.652 -14.510 1.00 11.13 H new ATOM 566 N GLN A 439 0.741 9.153 -13.304 1.00 73.22 N ATOM 567 CA GLN A 439 0.861 7.802 -12.758 1.00 74.43 C ATOM 568 C GLN A 439 0.063 7.620 -11.469 1.00 11.23 C ATOM 569 O GLN A 439 -0.360 6.514 -11.155 1.00 10.11 O ATOM 570 CB GLN A 439 2.316 7.386 -12.543 1.00 34.42 C ATOM 571 CG GLN A 439 3.056 8.135 -11.460 1.00 34.10 C ATOM 572 CD GLN A 439 4.489 7.686 -11.350 1.00 51.23 C ATOM 573 OE1 GLN A 439 5.379 8.254 -11.987 1.00 2.02 O ATOM 574 NE2 GLN A 439 4.721 6.644 -10.589 1.00 55.45 N ATOM 0 H GLN A 439 1.599 9.704 -13.285 1.00 73.22 H new ATOM 0 HA GLN A 439 0.432 7.144 -13.514 1.00 74.43 H new ATOM 0 HB2 GLN A 439 2.340 6.322 -12.305 1.00 34.42 H new ATOM 0 HB3 GLN A 439 2.854 7.515 -13.482 1.00 34.42 H new ATOM 0 HG2 GLN A 439 3.025 9.204 -11.671 1.00 34.10 H new ATOM 0 HG3 GLN A 439 2.553 7.984 -10.505 1.00 34.10 H new ATOM 0 HE21 GLN A 439 3.955 6.204 -10.079 1.00 55.45 H new ATOM 0 HE22 GLN A 439 5.668 6.273 -10.507 1.00 55.45 H new ATOM 583 N VAL A 440 -0.163 8.699 -10.733 1.00 2.14 N ATOM 584 CA VAL A 440 -0.892 8.590 -9.486 1.00 11.02 C ATOM 585 C VAL A 440 -2.358 8.331 -9.755 1.00 14.25 C ATOM 586 O VAL A 440 -2.927 7.435 -9.182 1.00 5.23 O ATOM 587 CB VAL A 440 -0.716 9.824 -8.559 1.00 43.24 C ATOM 588 CG1 VAL A 440 -1.517 9.655 -7.266 1.00 65.10 C ATOM 589 CG2 VAL A 440 0.742 10.024 -8.224 1.00 15.12 C ATOM 0 H VAL A 440 0.143 9.642 -10.975 1.00 2.14 H new ATOM 0 HA VAL A 440 -0.464 7.743 -8.950 1.00 11.02 H new ATOM 0 HB VAL A 440 -1.089 10.699 -9.092 1.00 43.24 H new ATOM 0 HG11 VAL A 440 -1.377 10.532 -6.634 1.00 65.10 H new ATOM 0 HG12 VAL A 440 -2.575 9.545 -7.505 1.00 65.10 H new ATOM 0 HG13 VAL A 440 -1.170 8.767 -6.737 1.00 65.10 H new ATOM 0 HG21 VAL A 440 0.850 10.892 -7.574 1.00 15.12 H new ATOM 0 HG22 VAL A 440 1.123 9.139 -7.714 1.00 15.12 H new ATOM 0 HG23 VAL A 440 1.307 10.185 -9.142 1.00 15.12 H new ATOM 599 N LEU A 441 -2.946 9.083 -10.686 1.00 50.34 N ATOM 600 CA LEU A 441 -4.371 8.928 -11.020 1.00 40.34 C ATOM 601 C LEU A 441 -4.709 7.504 -11.462 1.00 64.03 C ATOM 602 O LEU A 441 -5.817 7.008 -11.247 1.00 25.11 O ATOM 603 CB LEU A 441 -4.877 10.035 -11.997 1.00 40.42 C ATOM 604 CG LEU A 441 -4.224 10.160 -13.373 1.00 53.13 C ATOM 605 CD1 LEU A 441 -4.593 8.997 -14.250 1.00 71.10 C ATOM 606 CD2 LEU A 441 -4.623 11.464 -14.020 1.00 70.11 C ATOM 0 H LEU A 441 -2.464 9.804 -11.223 1.00 50.34 H new ATOM 0 HA LEU A 441 -4.936 9.084 -10.101 1.00 40.34 H new ATOM 0 HB2 LEU A 441 -5.944 9.875 -12.152 1.00 40.42 H new ATOM 0 HB3 LEU A 441 -4.768 10.995 -11.492 1.00 40.42 H new ATOM 0 HG LEU A 441 -3.142 10.151 -13.244 1.00 53.13 H new ATOM 0 HD11 LEU A 441 -4.116 9.110 -15.223 1.00 71.10 H new ATOM 0 HD12 LEU A 441 -4.256 8.070 -13.786 1.00 71.10 H new ATOM 0 HD13 LEU A 441 -5.675 8.967 -14.378 1.00 71.10 H new ATOM 0 HD21 LEU A 441 -4.152 11.543 -15.000 1.00 70.11 H new ATOM 0 HD22 LEU A 441 -5.706 11.497 -14.134 1.00 70.11 H new ATOM 0 HD23 LEU A 441 -4.299 12.295 -13.394 1.00 70.11 H new ATOM 618 N HIS A 442 -3.732 6.860 -12.062 1.00 33.01 N ATOM 619 CA HIS A 442 -3.844 5.504 -12.561 1.00 14.12 C ATOM 620 C HIS A 442 -4.135 4.479 -11.430 1.00 43.21 C ATOM 621 O HIS A 442 -4.694 3.409 -11.699 1.00 71.31 O ATOM 622 CB HIS A 442 -2.587 5.116 -13.376 1.00 40.35 C ATOM 623 CG HIS A 442 -2.667 3.761 -14.034 1.00 71.35 C ATOM 624 ND1 HIS A 442 -1.690 2.803 -13.918 1.00 74.11 N ATOM 625 CD2 HIS A 442 -3.607 3.229 -14.852 1.00 62.01 C ATOM 626 CE1 HIS A 442 -2.026 1.749 -14.627 1.00 35.14 C ATOM 627 NE2 HIS A 442 -3.178 1.981 -15.198 1.00 53.35 N ATOM 0 H HIS A 442 -2.814 7.274 -12.221 1.00 33.01 H new ATOM 0 HA HIS A 442 -4.704 5.473 -13.229 1.00 14.12 H new ATOM 0 HB2 HIS A 442 -2.419 5.871 -14.144 1.00 40.35 H new ATOM 0 HB3 HIS A 442 -1.720 5.136 -12.716 1.00 40.35 H new ATOM 0 HD2 HIS A 442 -4.523 3.704 -15.170 1.00 62.01 H new ATOM 0 HE1 HIS A 442 -1.447 0.842 -14.722 1.00 35.14 H new ATOM 0 HE2 HIS A 442 -3.677 1.332 -15.806 1.00 53.35 H new ATOM 636 N TYR A 443 -3.757 4.814 -10.172 1.00 4.12 N ATOM 637 CA TYR A 443 -3.869 3.878 -9.032 1.00 21.44 C ATOM 638 C TYR A 443 -5.307 3.393 -8.856 1.00 0.35 C ATOM 639 O TYR A 443 -5.543 2.327 -8.320 1.00 32.20 O ATOM 640 CB TYR A 443 -3.335 4.473 -7.694 1.00 31.32 C ATOM 641 CG TYR A 443 -4.354 5.228 -6.848 1.00 32.43 C ATOM 642 CD1 TYR A 443 -4.999 4.582 -5.806 1.00 73.12 C ATOM 643 CD2 TYR A 443 -4.666 6.552 -7.082 1.00 63.52 C ATOM 644 CE1 TYR A 443 -5.924 5.235 -5.027 1.00 43.25 C ATOM 645 CE2 TYR A 443 -5.588 7.215 -6.309 1.00 54.54 C ATOM 646 CZ TYR A 443 -6.216 6.552 -5.284 1.00 31.35 C ATOM 647 OH TYR A 443 -7.141 7.209 -4.514 1.00 30.52 O ATOM 0 H TYR A 443 -3.372 5.726 -9.924 1.00 4.12 H new ATOM 0 HA TYR A 443 -3.232 3.029 -9.279 1.00 21.44 H new ATOM 0 HB2 TYR A 443 -2.925 3.660 -7.095 1.00 31.32 H new ATOM 0 HB3 TYR A 443 -2.510 5.148 -7.922 1.00 31.32 H new ATOM 0 HD1 TYR A 443 -4.771 3.546 -5.602 1.00 73.12 H new ATOM 0 HD2 TYR A 443 -4.176 7.077 -7.889 1.00 63.52 H new ATOM 0 HE1 TYR A 443 -6.418 4.716 -4.219 1.00 43.25 H new ATOM 0 HE2 TYR A 443 -5.817 8.252 -6.507 1.00 54.54 H new ATOM 0 HH TYR A 443 -7.141 6.831 -3.610 1.00 30.52 H new ATOM 657 N ALA A 444 -6.267 4.210 -9.284 1.00 25.35 N ATOM 658 CA ALA A 444 -7.682 3.869 -9.193 1.00 41.35 C ATOM 659 C ALA A 444 -7.986 2.550 -9.903 1.00 65.43 C ATOM 660 O ALA A 444 -8.845 1.776 -9.462 1.00 72.14 O ATOM 661 CB ALA A 444 -8.546 5.001 -9.726 1.00 65.02 C ATOM 0 H ALA A 444 -6.086 5.123 -9.702 1.00 25.35 H new ATOM 0 HA ALA A 444 -7.926 3.731 -8.140 1.00 41.35 H new ATOM 0 HB1 ALA A 444 -9.597 4.724 -9.648 1.00 65.02 H new ATOM 0 HB2 ALA A 444 -8.364 5.903 -9.142 1.00 65.02 H new ATOM 0 HB3 ALA A 444 -8.297 5.188 -10.770 1.00 65.02 H new ATOM 667 N GLN A 445 -7.263 2.285 -10.982 1.00 33.33 N ATOM 668 CA GLN A 445 -7.412 1.036 -11.703 1.00 52.31 C ATOM 669 C GLN A 445 -6.876 -0.103 -10.839 1.00 13.24 C ATOM 670 O GLN A 445 -7.444 -1.174 -10.786 1.00 72.20 O ATOM 671 CB GLN A 445 -6.682 1.100 -13.047 1.00 55.32 C ATOM 672 CG GLN A 445 -7.188 2.204 -13.990 1.00 35.40 C ATOM 673 CD GLN A 445 -8.632 2.014 -14.462 1.00 41.34 C ATOM 674 OE1 GLN A 445 -9.477 1.440 -13.768 1.00 71.15 O ATOM 675 NE2 GLN A 445 -8.923 2.502 -15.641 1.00 51.22 N ATOM 0 H GLN A 445 -6.568 2.920 -11.375 1.00 33.33 H new ATOM 0 HA GLN A 445 -8.467 0.858 -11.913 1.00 52.31 H new ATOM 0 HB2 GLN A 445 -5.619 1.255 -12.863 1.00 55.32 H new ATOM 0 HB3 GLN A 445 -6.782 0.137 -13.548 1.00 55.32 H new ATOM 0 HG2 GLN A 445 -7.107 3.165 -13.482 1.00 35.40 H new ATOM 0 HG3 GLN A 445 -6.536 2.248 -14.862 1.00 35.40 H new ATOM 0 HE21 GLN A 445 -8.203 2.971 -16.191 1.00 51.22 H new ATOM 0 HE22 GLN A 445 -9.870 2.413 -16.010 1.00 51.22 H new ATOM 684 N TYR A 446 -5.795 0.170 -10.125 1.00 54.45 N ATOM 685 CA TYR A 446 -5.221 -0.787 -9.188 1.00 44.13 C ATOM 686 C TYR A 446 -6.184 -1.073 -8.043 1.00 32.54 C ATOM 687 O TYR A 446 -6.290 -2.211 -7.574 1.00 31.22 O ATOM 688 CB TYR A 446 -3.865 -0.303 -8.667 1.00 30.44 C ATOM 689 CG TYR A 446 -2.745 -0.421 -9.676 1.00 64.12 C ATOM 690 CD1 TYR A 446 -2.011 -1.592 -9.780 1.00 24.14 C ATOM 691 CD2 TYR A 446 -2.417 0.628 -10.521 1.00 45.05 C ATOM 692 CE1 TYR A 446 -0.986 -1.718 -10.691 1.00 5.42 C ATOM 693 CE2 TYR A 446 -1.393 0.511 -11.435 1.00 42.15 C ATOM 694 CZ TYR A 446 -0.680 -0.665 -11.517 1.00 12.33 C ATOM 695 OH TYR A 446 0.344 -0.785 -12.432 1.00 65.03 O ATOM 0 H TYR A 446 -5.292 1.056 -10.177 1.00 54.45 H new ATOM 0 HA TYR A 446 -5.054 -1.722 -9.723 1.00 44.13 H new ATOM 0 HB2 TYR A 446 -3.956 0.739 -8.359 1.00 30.44 H new ATOM 0 HB3 TYR A 446 -3.602 -0.876 -7.778 1.00 30.44 H new ATOM 0 HD1 TYR A 446 -2.248 -2.423 -9.133 1.00 24.14 H new ATOM 0 HD2 TYR A 446 -2.973 1.552 -10.462 1.00 45.05 H new ATOM 0 HE1 TYR A 446 -0.426 -2.639 -10.755 1.00 5.42 H new ATOM 0 HE2 TYR A 446 -1.150 1.338 -12.085 1.00 42.15 H new ATOM 0 HH TYR A 446 0.429 0.050 -12.939 1.00 65.03 H new ATOM 705 N VAL A 447 -6.895 -0.044 -7.599 1.00 40.44 N ATOM 706 CA VAL A 447 -7.920 -0.202 -6.567 1.00 51.11 C ATOM 707 C VAL A 447 -9.023 -1.117 -7.090 1.00 23.51 C ATOM 708 O VAL A 447 -9.512 -1.997 -6.373 1.00 25.15 O ATOM 709 CB VAL A 447 -8.534 1.165 -6.141 1.00 41.23 C ATOM 710 CG1 VAL A 447 -9.614 0.980 -5.077 1.00 71.15 C ATOM 711 CG2 VAL A 447 -7.457 2.090 -5.624 1.00 73.32 C ATOM 0 H VAL A 447 -6.783 0.912 -7.936 1.00 40.44 H new ATOM 0 HA VAL A 447 -7.447 -0.640 -5.688 1.00 51.11 H new ATOM 0 HB VAL A 447 -8.995 1.610 -7.023 1.00 41.23 H new ATOM 0 HG11 VAL A 447 -10.023 1.952 -4.801 1.00 71.15 H new ATOM 0 HG12 VAL A 447 -10.411 0.350 -5.473 1.00 71.15 H new ATOM 0 HG13 VAL A 447 -9.180 0.505 -4.197 1.00 71.15 H new ATOM 0 HG21 VAL A 447 -7.903 3.040 -5.331 1.00 73.32 H new ATOM 0 HG22 VAL A 447 -6.971 1.636 -4.761 1.00 73.32 H new ATOM 0 HG23 VAL A 447 -6.719 2.262 -6.407 1.00 73.32 H new ATOM 721 N LEU A 448 -9.377 -0.921 -8.353 1.00 4.24 N ATOM 722 CA LEU A 448 -10.378 -1.715 -9.024 1.00 34.41 C ATOM 723 C LEU A 448 -9.994 -3.210 -9.026 1.00 1.41 C ATOM 724 O LEU A 448 -10.817 -4.074 -8.679 1.00 72.12 O ATOM 725 CB LEU A 448 -10.555 -1.204 -10.447 1.00 22.11 C ATOM 726 CG LEU A 448 -11.528 -1.972 -11.305 1.00 61.14 C ATOM 727 CD1 LEU A 448 -12.950 -1.863 -10.763 1.00 0.54 C ATOM 728 CD2 LEU A 448 -11.443 -1.533 -12.750 1.00 74.42 C ATOM 0 H LEU A 448 -8.968 -0.195 -8.941 1.00 4.24 H new ATOM 0 HA LEU A 448 -11.321 -1.621 -8.486 1.00 34.41 H new ATOM 0 HB2 LEU A 448 -10.882 -0.165 -10.402 1.00 22.11 H new ATOM 0 HB3 LEU A 448 -9.582 -1.211 -10.939 1.00 22.11 H new ATOM 0 HG LEU A 448 -11.249 -3.025 -11.268 1.00 61.14 H new ATOM 0 HD11 LEU A 448 -13.628 -2.427 -11.404 1.00 0.54 H new ATOM 0 HD12 LEU A 448 -12.986 -2.267 -9.751 1.00 0.54 H new ATOM 0 HD13 LEU A 448 -13.254 -0.816 -10.746 1.00 0.54 H new ATOM 0 HD21 LEU A 448 -12.155 -2.103 -13.346 1.00 74.42 H new ATOM 0 HD22 LEU A 448 -11.678 -0.471 -12.822 1.00 74.42 H new ATOM 0 HD23 LEU A 448 -10.434 -1.708 -13.125 1.00 74.42 H new ATOM 740 N LEU A 449 -8.752 -3.512 -9.413 1.00 0.33 N ATOM 741 CA LEU A 449 -8.255 -4.903 -9.388 1.00 15.14 C ATOM 742 C LEU A 449 -8.178 -5.434 -7.961 1.00 41.13 C ATOM 743 O LEU A 449 -8.520 -6.591 -7.699 1.00 71.12 O ATOM 744 CB LEU A 449 -6.882 -5.059 -10.089 1.00 11.43 C ATOM 745 CG LEU A 449 -6.849 -5.081 -11.637 1.00 45.43 C ATOM 746 CD1 LEU A 449 -7.399 -3.813 -12.256 1.00 1.10 C ATOM 747 CD2 LEU A 449 -5.433 -5.337 -12.124 1.00 24.25 C ATOM 0 H LEU A 449 -8.074 -2.826 -9.745 1.00 0.33 H new ATOM 0 HA LEU A 449 -8.977 -5.496 -9.950 1.00 15.14 H new ATOM 0 HB2 LEU A 449 -6.242 -4.242 -9.754 1.00 11.43 H new ATOM 0 HB3 LEU A 449 -6.430 -5.985 -9.733 1.00 11.43 H new ATOM 0 HG LEU A 449 -7.501 -5.894 -11.959 1.00 45.43 H new ATOM 0 HD11 LEU A 449 -7.350 -3.887 -13.342 1.00 1.10 H new ATOM 0 HD12 LEU A 449 -8.436 -3.678 -11.948 1.00 1.10 H new ATOM 0 HD13 LEU A 449 -6.808 -2.960 -11.924 1.00 1.10 H new ATOM 0 HD21 LEU A 449 -5.420 -5.351 -13.214 1.00 24.25 H new ATOM 0 HD22 LEU A 449 -4.776 -4.546 -11.763 1.00 24.25 H new ATOM 0 HD23 LEU A 449 -5.086 -6.298 -11.745 1.00 24.25 H new ATOM 759 N GLY A 450 -7.750 -4.577 -7.047 1.00 62.43 N ATOM 760 CA GLY A 450 -7.648 -4.947 -5.650 1.00 32.41 C ATOM 761 C GLY A 450 -8.991 -5.341 -5.071 1.00 33.12 C ATOM 762 O GLY A 450 -9.121 -6.402 -4.453 1.00 23.24 O ATOM 0 H GLY A 450 -7.468 -3.618 -7.252 1.00 62.43 H new ATOM 0 HA2 GLY A 450 -6.949 -5.777 -5.544 1.00 32.41 H new ATOM 0 HA3 GLY A 450 -7.239 -4.112 -5.082 1.00 32.41 H new ATOM 766 N LEU A 451 -9.988 -4.504 -5.298 1.00 72.35 N ATOM 767 CA LEU A 451 -11.345 -4.753 -4.833 1.00 2.12 C ATOM 768 C LEU A 451 -11.936 -5.960 -5.554 1.00 4.44 C ATOM 769 O LEU A 451 -12.651 -6.762 -4.957 1.00 11.31 O ATOM 770 CB LEU A 451 -12.224 -3.513 -5.062 1.00 71.25 C ATOM 771 CG LEU A 451 -13.689 -3.617 -4.620 1.00 10.21 C ATOM 772 CD1 LEU A 451 -13.796 -3.859 -3.119 1.00 35.51 C ATOM 773 CD2 LEU A 451 -14.458 -2.369 -5.018 1.00 44.12 C ATOM 0 H LEU A 451 -9.881 -3.629 -5.811 1.00 72.35 H new ATOM 0 HA LEU A 451 -11.314 -4.965 -3.764 1.00 2.12 H new ATOM 0 HB2 LEU A 451 -11.769 -2.672 -4.538 1.00 71.25 H new ATOM 0 HB3 LEU A 451 -12.205 -3.274 -6.125 1.00 71.25 H new ATOM 0 HG LEU A 451 -14.133 -4.473 -5.129 1.00 10.21 H new ATOM 0 HD11 LEU A 451 -14.846 -3.928 -2.836 1.00 35.51 H new ATOM 0 HD12 LEU A 451 -13.289 -4.790 -2.863 1.00 35.51 H new ATOM 0 HD13 LEU A 451 -13.329 -3.033 -2.583 1.00 35.51 H new ATOM 0 HD21 LEU A 451 -15.495 -2.462 -4.696 1.00 44.12 H new ATOM 0 HD22 LEU A 451 -14.008 -1.497 -4.543 1.00 44.12 H new ATOM 0 HD23 LEU A 451 -14.424 -2.251 -6.101 1.00 44.12 H new ATOM 785 N GLY A 452 -11.603 -6.090 -6.837 1.00 73.03 N ATOM 786 CA GLY A 452 -12.073 -7.200 -7.646 1.00 42.44 C ATOM 787 C GLY A 452 -11.658 -8.538 -7.076 1.00 73.41 C ATOM 788 O GLY A 452 -12.395 -9.525 -7.197 1.00 44.04 O ATOM 0 H GLY A 452 -11.005 -5.432 -7.337 1.00 73.03 H new ATOM 0 HA2 GLY A 452 -13.160 -7.159 -7.719 1.00 42.44 H new ATOM 0 HA3 GLY A 452 -11.681 -7.101 -8.658 1.00 42.44 H new ATOM 792 N GLY A 453 -10.494 -8.564 -6.442 1.00 71.12 N ATOM 793 CA GLY A 453 -9.999 -9.765 -5.812 1.00 34.35 C ATOM 794 C GLY A 453 -10.945 -10.288 -4.747 1.00 43.14 C ATOM 795 O GLY A 453 -11.175 -11.482 -4.657 1.00 4.24 O ATOM 0 H GLY A 453 -9.876 -7.757 -6.354 1.00 71.12 H new ATOM 0 HA2 GLY A 453 -9.847 -10.534 -6.569 1.00 34.35 H new ATOM 0 HA3 GLY A 453 -9.026 -9.563 -5.363 1.00 34.35 H new ATOM 799 N LEU A 454 -11.537 -9.374 -3.980 1.00 13.03 N ATOM 800 CA LEU A 454 -12.467 -9.727 -2.900 1.00 5.42 C ATOM 801 C LEU A 454 -13.667 -10.503 -3.456 1.00 60.30 C ATOM 802 O LEU A 454 -14.093 -11.518 -2.896 1.00 23.11 O ATOM 803 CB LEU A 454 -12.948 -8.453 -2.190 1.00 73.44 C ATOM 804 CG LEU A 454 -13.907 -8.649 -1.012 1.00 30.53 C ATOM 805 CD1 LEU A 454 -13.247 -9.450 0.095 1.00 61.21 C ATOM 806 CD2 LEU A 454 -14.396 -7.309 -0.492 1.00 13.10 C ATOM 0 H LEU A 454 -11.389 -8.370 -4.086 1.00 13.03 H new ATOM 0 HA LEU A 454 -11.946 -10.362 -2.184 1.00 5.42 H new ATOM 0 HB2 LEU A 454 -12.073 -7.911 -1.831 1.00 73.44 H new ATOM 0 HB3 LEU A 454 -13.438 -7.816 -2.926 1.00 73.44 H new ATOM 0 HG LEU A 454 -14.770 -9.213 -1.366 1.00 30.53 H new ATOM 0 HD11 LEU A 454 -13.948 -9.576 0.920 1.00 61.21 H new ATOM 0 HD12 LEU A 454 -12.957 -10.429 -0.287 1.00 61.21 H new ATOM 0 HD13 LEU A 454 -12.362 -8.922 0.448 1.00 61.21 H new ATOM 0 HD21 LEU A 454 -15.076 -7.470 0.345 1.00 13.10 H new ATOM 0 HD22 LEU A 454 -13.545 -6.715 -0.159 1.00 13.10 H new ATOM 0 HD23 LEU A 454 -14.919 -6.779 -1.288 1.00 13.10 H new ATOM 818 N LEU A 455 -14.173 -10.028 -4.576 1.00 24.14 N ATOM 819 CA LEU A 455 -15.297 -10.652 -5.270 1.00 32.32 C ATOM 820 C LEU A 455 -14.863 -11.954 -5.928 1.00 60.21 C ATOM 821 O LEU A 455 -15.663 -12.871 -6.115 1.00 44.02 O ATOM 822 CB LEU A 455 -15.922 -9.713 -6.333 1.00 15.42 C ATOM 823 CG LEU A 455 -16.690 -8.455 -5.846 1.00 54.43 C ATOM 824 CD1 LEU A 455 -15.798 -7.474 -5.097 1.00 15.42 C ATOM 825 CD2 LEU A 455 -17.359 -7.767 -7.020 1.00 63.40 C ATOM 0 H LEU A 455 -13.818 -9.192 -5.039 1.00 24.14 H new ATOM 0 HA LEU A 455 -16.058 -10.860 -4.518 1.00 32.32 H new ATOM 0 HB2 LEU A 455 -15.121 -9.379 -6.993 1.00 15.42 H new ATOM 0 HB3 LEU A 455 -16.607 -10.306 -6.939 1.00 15.42 H new ATOM 0 HG LEU A 455 -17.447 -8.796 -5.140 1.00 54.43 H new ATOM 0 HD11 LEU A 455 -16.388 -6.614 -4.780 1.00 15.42 H new ATOM 0 HD12 LEU A 455 -15.373 -7.964 -4.221 1.00 15.42 H new ATOM 0 HD13 LEU A 455 -14.994 -7.140 -5.752 1.00 15.42 H new ATOM 0 HD21 LEU A 455 -17.895 -6.886 -6.668 1.00 63.40 H new ATOM 0 HD22 LEU A 455 -16.602 -7.466 -7.745 1.00 63.40 H new ATOM 0 HD23 LEU A 455 -18.061 -8.454 -7.493 1.00 63.40 H new ATOM 837 N LEU A 456 -13.594 -12.035 -6.264 1.00 44.43 N ATOM 838 CA LEU A 456 -13.050 -13.176 -6.958 1.00 52.25 C ATOM 839 C LEU A 456 -12.891 -14.325 -5.971 1.00 74.40 C ATOM 840 O LEU A 456 -12.952 -15.474 -6.342 1.00 74.42 O ATOM 841 CB LEU A 456 -11.708 -12.761 -7.661 1.00 73.00 C ATOM 842 CG LEU A 456 -10.969 -13.776 -8.587 1.00 24.01 C ATOM 843 CD1 LEU A 456 -10.288 -14.896 -7.815 1.00 55.31 C ATOM 844 CD2 LEU A 456 -11.923 -14.345 -9.630 1.00 63.44 C ATOM 0 H LEU A 456 -12.909 -11.306 -6.061 1.00 44.43 H new ATOM 0 HA LEU A 456 -13.721 -13.523 -7.744 1.00 52.25 H new ATOM 0 HB2 LEU A 456 -11.914 -11.871 -8.255 1.00 73.00 H new ATOM 0 HB3 LEU A 456 -11.009 -12.467 -6.878 1.00 73.00 H new ATOM 0 HG LEU A 456 -10.179 -13.220 -9.092 1.00 24.01 H new ATOM 0 HD11 LEU A 456 -9.791 -15.570 -8.513 1.00 55.31 H new ATOM 0 HD12 LEU A 456 -9.551 -14.472 -7.133 1.00 55.31 H new ATOM 0 HD13 LEU A 456 -11.033 -15.450 -7.244 1.00 55.31 H new ATOM 0 HD21 LEU A 456 -11.388 -15.051 -10.266 1.00 63.44 H new ATOM 0 HD22 LEU A 456 -12.745 -14.858 -9.130 1.00 63.44 H new ATOM 0 HD23 LEU A 456 -12.319 -13.534 -10.241 1.00 63.44 H new ATOM 856 N LEU A 457 -12.743 -13.984 -4.701 1.00 3.42 N ATOM 857 CA LEU A 457 -12.595 -14.974 -3.636 1.00 61.25 C ATOM 858 C LEU A 457 -13.866 -15.814 -3.482 1.00 23.55 C ATOM 859 O LEU A 457 -13.808 -16.971 -3.086 1.00 13.04 O ATOM 860 CB LEU A 457 -12.276 -14.289 -2.303 1.00 23.11 C ATOM 861 CG LEU A 457 -11.068 -13.351 -2.293 1.00 3.32 C ATOM 862 CD1 LEU A 457 -10.805 -12.807 -0.904 1.00 31.43 C ATOM 863 CD2 LEU A 457 -9.839 -14.023 -2.874 1.00 3.44 C ATOM 0 H LEU A 457 -12.722 -13.017 -4.376 1.00 3.42 H new ATOM 0 HA LEU A 457 -11.770 -15.631 -3.912 1.00 61.25 H new ATOM 0 HB2 LEU A 457 -13.153 -13.721 -1.993 1.00 23.11 H new ATOM 0 HB3 LEU A 457 -12.115 -15.062 -1.552 1.00 23.11 H new ATOM 0 HG LEU A 457 -11.304 -12.502 -2.935 1.00 3.32 H new ATOM 0 HD11 LEU A 457 -9.940 -12.144 -0.931 1.00 31.43 H new ATOM 0 HD12 LEU A 457 -11.677 -12.252 -0.559 1.00 31.43 H new ATOM 0 HD13 LEU A 457 -10.608 -13.633 -0.221 1.00 31.43 H new ATOM 0 HD21 LEU A 457 -8.999 -13.328 -2.851 1.00 3.44 H new ATOM 0 HD22 LEU A 457 -9.595 -14.907 -2.285 1.00 3.44 H new ATOM 0 HD23 LEU A 457 -10.038 -14.318 -3.904 1.00 3.44 H new ATOM 875 N VAL A 458 -14.999 -15.220 -3.810 1.00 34.04 N ATOM 876 CA VAL A 458 -16.314 -15.864 -3.661 1.00 52.01 C ATOM 877 C VAL A 458 -16.423 -17.241 -4.408 1.00 74.13 C ATOM 878 O VAL A 458 -16.712 -18.259 -3.775 1.00 63.22 O ATOM 879 CB VAL A 458 -17.470 -14.906 -4.079 1.00 71.30 C ATOM 880 CG1 VAL A 458 -18.818 -15.574 -3.925 1.00 11.20 C ATOM 881 CG2 VAL A 458 -17.417 -13.622 -3.263 1.00 33.33 C ATOM 0 H VAL A 458 -15.045 -14.274 -4.189 1.00 34.04 H new ATOM 0 HA VAL A 458 -16.417 -16.084 -2.599 1.00 52.01 H new ATOM 0 HB VAL A 458 -17.337 -14.659 -5.132 1.00 71.30 H new ATOM 0 HG11 VAL A 458 -19.604 -14.881 -4.224 1.00 11.20 H new ATOM 0 HG12 VAL A 458 -18.858 -16.462 -4.556 1.00 11.20 H new ATOM 0 HG13 VAL A 458 -18.965 -15.861 -2.884 1.00 11.20 H new ATOM 0 HG21 VAL A 458 -18.231 -12.964 -3.567 1.00 33.33 H new ATOM 0 HG22 VAL A 458 -17.519 -13.859 -2.204 1.00 33.33 H new ATOM 0 HG23 VAL A 458 -16.463 -13.122 -3.433 1.00 33.33 H new ATOM 891 N PRO A 459 -16.199 -17.308 -5.749 1.00 44.43 N ATOM 892 CA PRO A 459 -16.251 -18.583 -6.495 1.00 4.35 C ATOM 893 C PRO A 459 -15.094 -19.535 -6.137 1.00 51.41 C ATOM 894 O PRO A 459 -15.098 -20.714 -6.513 1.00 42.53 O ATOM 895 CB PRO A 459 -16.150 -18.150 -7.959 1.00 61.25 C ATOM 896 CG PRO A 459 -15.454 -16.841 -7.911 1.00 43.11 C ATOM 897 CD PRO A 459 -15.928 -16.176 -6.658 1.00 53.23 C ATOM 0 HA PRO A 459 -17.156 -19.143 -6.262 1.00 4.35 H new ATOM 0 HB2 PRO A 459 -15.591 -18.875 -8.550 1.00 61.25 H new ATOM 0 HB3 PRO A 459 -17.136 -18.059 -8.415 1.00 61.25 H new ATOM 0 HG2 PRO A 459 -14.372 -16.973 -7.899 1.00 43.11 H new ATOM 0 HG3 PRO A 459 -15.692 -16.239 -8.788 1.00 43.11 H new ATOM 0 HD2 PRO A 459 -15.173 -15.505 -6.249 1.00 53.23 H new ATOM 0 HD3 PRO A 459 -16.823 -15.579 -6.834 1.00 53.23 H new ATOM 905 N ILE A 460 -14.107 -19.022 -5.415 1.00 30.21 N ATOM 906 CA ILE A 460 -12.943 -19.809 -5.037 1.00 41.35 C ATOM 907 C ILE A 460 -13.289 -20.803 -3.909 1.00 55.03 C ATOM 908 O ILE A 460 -12.565 -21.759 -3.693 1.00 20.14 O ATOM 909 CB ILE A 460 -11.728 -18.892 -4.633 1.00 62.22 C ATOM 910 CG1 ILE A 460 -11.361 -17.944 -5.784 1.00 15.21 C ATOM 911 CG2 ILE A 460 -10.495 -19.703 -4.217 1.00 32.52 C ATOM 912 CD1 ILE A 460 -11.004 -18.632 -7.090 1.00 53.43 C ATOM 0 H ILE A 460 -14.090 -18.059 -5.078 1.00 30.21 H new ATOM 0 HA ILE A 460 -12.639 -20.384 -5.912 1.00 41.35 H new ATOM 0 HB ILE A 460 -12.048 -18.311 -3.768 1.00 62.22 H new ATOM 0 HG12 ILE A 460 -12.200 -17.271 -5.962 1.00 15.21 H new ATOM 0 HG13 ILE A 460 -10.518 -17.327 -5.473 1.00 15.21 H new ATOM 0 HG21 ILE A 460 -9.686 -19.023 -3.948 1.00 32.52 H new ATOM 0 HG22 ILE A 460 -10.743 -20.329 -3.360 1.00 32.52 H new ATOM 0 HG23 ILE A 460 -10.178 -20.334 -5.047 1.00 32.52 H new ATOM 0 HD11 ILE A 460 -10.760 -17.881 -7.842 1.00 53.43 H new ATOM 0 HD12 ILE A 460 -10.144 -19.283 -6.935 1.00 53.43 H new ATOM 0 HD13 ILE A 460 -11.852 -19.226 -7.432 1.00 53.43 H new ATOM 924 N ILE A 461 -14.439 -20.602 -3.242 1.00 54.51 N ATOM 925 CA ILE A 461 -14.868 -21.475 -2.122 1.00 21.22 C ATOM 926 C ILE A 461 -14.859 -22.958 -2.528 1.00 44.33 C ATOM 927 O ILE A 461 -14.401 -23.814 -1.776 1.00 31.23 O ATOM 928 CB ILE A 461 -16.283 -21.081 -1.578 1.00 4.40 C ATOM 929 CG1 ILE A 461 -16.256 -19.660 -0.996 1.00 11.21 C ATOM 930 CG2 ILE A 461 -16.771 -22.081 -0.523 1.00 43.11 C ATOM 931 CD1 ILE A 461 -17.596 -19.172 -0.478 1.00 4.04 C ATOM 0 H ILE A 461 -15.090 -19.846 -3.454 1.00 54.51 H new ATOM 0 HA ILE A 461 -14.143 -21.327 -1.322 1.00 21.22 H new ATOM 0 HB ILE A 461 -16.983 -21.106 -2.413 1.00 4.40 H new ATOM 0 HG12 ILE A 461 -15.531 -19.627 -0.183 1.00 11.21 H new ATOM 0 HG13 ILE A 461 -15.904 -18.972 -1.765 1.00 11.21 H new ATOM 0 HG21 ILE A 461 -17.756 -21.780 -0.165 1.00 43.11 H new ATOM 0 HG22 ILE A 461 -16.834 -23.075 -0.966 1.00 43.11 H new ATOM 0 HG23 ILE A 461 -16.071 -22.099 0.312 1.00 43.11 H new ATOM 0 HD11 ILE A 461 -17.488 -18.161 -0.085 1.00 4.04 H new ATOM 0 HD12 ILE A 461 -18.321 -19.169 -1.291 1.00 4.04 H new ATOM 0 HD13 ILE A 461 -17.943 -19.835 0.315 1.00 4.04 H new ATOM 943 N CYS A 462 -15.320 -23.246 -3.716 1.00 51.43 N ATOM 944 CA CYS A 462 -15.341 -24.608 -4.195 1.00 33.54 C ATOM 945 C CYS A 462 -13.937 -25.087 -4.614 1.00 45.33 C ATOM 946 O CYS A 462 -13.628 -26.270 -4.532 1.00 11.20 O ATOM 947 CB CYS A 462 -16.323 -24.740 -5.358 1.00 1.25 C ATOM 948 SG CYS A 462 -15.961 -23.670 -6.777 1.00 2.12 S ATOM 0 H CYS A 462 -15.687 -22.557 -4.373 1.00 51.43 H new ATOM 0 HA CYS A 462 -15.671 -25.246 -3.375 1.00 33.54 H new ATOM 0 HB2 CYS A 462 -16.330 -25.777 -5.694 1.00 1.25 H new ATOM 0 HB3 CYS A 462 -17.326 -24.515 -4.996 1.00 1.25 H new ATOM 0 HG CYS A 462 -15.628 -22.487 -6.354 1.00 2.12 H new ATOM 954 N GLN A 463 -13.081 -24.150 -5.008 1.00 64.42 N ATOM 955 CA GLN A 463 -11.753 -24.491 -5.545 1.00 61.00 C ATOM 956 C GLN A 463 -10.847 -24.789 -4.370 1.00 41.14 C ATOM 957 O GLN A 463 -9.912 -25.588 -4.426 1.00 25.50 O ATOM 958 CB GLN A 463 -11.190 -23.321 -6.350 1.00 65.44 C ATOM 959 CG GLN A 463 -9.942 -23.665 -7.144 1.00 0.33 C ATOM 960 CD GLN A 463 -9.288 -22.451 -7.766 1.00 63.43 C ATOM 961 OE1 GLN A 463 -9.351 -21.353 -7.221 1.00 53.14 O ATOM 962 NE2 GLN A 463 -8.675 -22.627 -8.906 1.00 21.04 N ATOM 0 H GLN A 463 -13.275 -23.149 -4.969 1.00 64.42 H new ATOM 0 HA GLN A 463 -11.823 -25.354 -6.207 1.00 61.00 H new ATOM 0 HB2 GLN A 463 -11.957 -22.962 -7.036 1.00 65.44 H new ATOM 0 HB3 GLN A 463 -10.961 -22.501 -5.669 1.00 65.44 H new ATOM 0 HG2 GLN A 463 -9.226 -24.162 -6.489 1.00 0.33 H new ATOM 0 HG3 GLN A 463 -10.201 -24.375 -7.930 1.00 0.33 H new ATOM 0 HE21 GLN A 463 -8.643 -23.554 -9.330 1.00 21.04 H new ATOM 0 HE22 GLN A 463 -8.229 -21.837 -9.372 1.00 21.04 H new ATOM 971 N LEU A 464 -11.156 -24.104 -3.322 1.00 32.43 N ATOM 972 CA LEU A 464 -10.549 -24.160 -2.059 1.00 4.12 C ATOM 973 C LEU A 464 -10.680 -25.572 -1.478 1.00 12.21 C ATOM 974 O LEU A 464 -9.792 -26.047 -0.781 1.00 35.52 O ATOM 975 CB LEU A 464 -11.322 -23.119 -1.257 1.00 74.11 C ATOM 976 CG LEU A 464 -10.899 -22.719 0.119 1.00 71.05 C ATOM 977 CD1 LEU A 464 -11.715 -21.505 0.477 1.00 11.20 C ATOM 978 CD2 LEU A 464 -11.160 -23.812 1.129 1.00 70.53 C ATOM 0 H LEU A 464 -11.918 -23.426 -3.344 1.00 32.43 H new ATOM 0 HA LEU A 464 -9.479 -23.953 -2.064 1.00 4.12 H new ATOM 0 HB2 LEU A 464 -11.345 -22.210 -1.858 1.00 74.11 H new ATOM 0 HB3 LEU A 464 -12.349 -23.477 -1.181 1.00 74.11 H new ATOM 0 HG LEU A 464 -9.827 -22.520 0.135 1.00 71.05 H new ATOM 0 HD11 LEU A 464 -11.446 -21.168 1.478 1.00 11.20 H new ATOM 0 HD12 LEU A 464 -11.516 -20.708 -0.240 1.00 11.20 H new ATOM 0 HD13 LEU A 464 -12.775 -21.759 0.452 1.00 11.20 H new ATOM 0 HD21 LEU A 464 -10.838 -23.480 2.116 1.00 70.53 H new ATOM 0 HD22 LEU A 464 -12.226 -24.039 1.152 1.00 70.53 H new ATOM 0 HD23 LEU A 464 -10.605 -24.707 0.848 1.00 70.53 H new ATOM 990 N ARG A 465 -11.758 -26.254 -1.814 1.00 63.35 N ATOM 991 CA ARG A 465 -11.992 -27.591 -1.287 1.00 11.43 C ATOM 992 C ARG A 465 -11.016 -28.577 -1.935 1.00 74.42 C ATOM 993 O ARG A 465 -10.683 -29.613 -1.356 1.00 11.13 O ATOM 994 CB ARG A 465 -13.436 -28.022 -1.545 1.00 31.15 C ATOM 995 CG ARG A 465 -14.466 -26.979 -1.127 1.00 23.54 C ATOM 996 CD ARG A 465 -15.886 -27.494 -1.256 1.00 12.40 C ATOM 997 NE ARG A 465 -16.172 -28.512 -0.247 1.00 51.11 N ATOM 998 CZ ARG A 465 -17.299 -29.208 -0.135 1.00 73.22 C ATOM 999 NH1 ARG A 465 -18.239 -29.127 -1.061 1.00 50.13 N ATOM 1000 NH2 ARG A 465 -17.472 -29.995 0.909 1.00 65.35 N ATOM 0 H ARG A 465 -12.483 -25.911 -2.444 1.00 63.35 H new ATOM 0 HA ARG A 465 -11.827 -27.582 -0.210 1.00 11.43 H new ATOM 0 HB2 ARG A 465 -13.558 -28.237 -2.607 1.00 31.15 H new ATOM 0 HB3 ARG A 465 -13.631 -28.950 -1.007 1.00 31.15 H new ATOM 0 HG2 ARG A 465 -14.281 -26.682 -0.095 1.00 23.54 H new ATOM 0 HG3 ARG A 465 -14.347 -26.087 -1.742 1.00 23.54 H new ATOM 0 HD2 ARG A 465 -16.587 -26.666 -1.150 1.00 12.40 H new ATOM 0 HD3 ARG A 465 -16.035 -27.913 -2.251 1.00 12.40 H new ATOM 0 HE ARG A 465 -15.439 -28.706 0.435 1.00 51.11 H new ATOM 0 HH11 ARG A 465 -18.104 -28.525 -1.873 1.00 50.13 H new ATOM 0 HH12 ARG A 465 -19.099 -29.666 -0.963 1.00 50.13 H new ATOM 0 HH21 ARG A 465 -16.745 -30.065 1.621 1.00 65.35 H new ATOM 0 HH22 ARG A 465 -18.333 -30.533 1.005 1.00 65.35 H new ATOM 1014 N SER A 466 -10.525 -28.206 -3.115 1.00 54.11 N ATOM 1015 CA SER A 466 -9.544 -28.982 -3.846 1.00 71.23 C ATOM 1016 C SER A 466 -8.151 -28.697 -3.268 1.00 3.10 C ATOM 1017 O SER A 466 -7.235 -29.518 -3.354 1.00 41.35 O ATOM 1018 CB SER A 466 -9.589 -28.564 -5.310 1.00 70.41 C ATOM 1019 OG SER A 466 -10.913 -28.638 -5.809 1.00 51.42 O ATOM 0 H SER A 466 -10.804 -27.348 -3.590 1.00 54.11 H new ATOM 0 HA SER A 466 -9.759 -30.047 -3.760 1.00 71.23 H new ATOM 0 HB2 SER A 466 -9.211 -27.547 -5.415 1.00 70.41 H new ATOM 0 HB3 SER A 466 -8.936 -29.209 -5.898 1.00 70.41 H new ATOM 0 HG SER A 466 -11.109 -29.559 -6.080 1.00 51.42 H new ATOM 1025 N GLN A 467 -8.022 -27.517 -2.672 1.00 61.11 N ATOM 1026 CA GLN A 467 -6.798 -27.072 -2.024 1.00 44.53 C ATOM 1027 C GLN A 467 -6.636 -27.796 -0.702 1.00 23.32 C ATOM 1028 O GLN A 467 -5.536 -28.190 -0.320 1.00 13.35 O ATOM 1029 CB GLN A 467 -6.881 -25.571 -1.757 1.00 21.42 C ATOM 1030 CG GLN A 467 -5.716 -25.000 -0.977 1.00 44.41 C ATOM 1031 CD GLN A 467 -5.949 -23.563 -0.588 1.00 21.23 C ATOM 1032 OE1 GLN A 467 -5.591 -22.640 -1.316 1.00 74.12 O ATOM 1033 NE2 GLN A 467 -6.561 -23.359 0.551 1.00 2.11 N ATOM 0 H GLN A 467 -8.778 -26.834 -2.626 1.00 61.11 H new ATOM 0 HA GLN A 467 -5.948 -27.287 -2.672 1.00 44.53 H new ATOM 0 HB2 GLN A 467 -6.951 -25.050 -2.712 1.00 21.42 H new ATOM 0 HB3 GLN A 467 -7.802 -25.363 -1.212 1.00 21.42 H new ATOM 0 HG2 GLN A 467 -5.553 -25.597 -0.080 1.00 44.41 H new ATOM 0 HG3 GLN A 467 -4.808 -25.071 -1.576 1.00 44.41 H new ATOM 0 HE21 GLN A 467 -6.843 -24.152 1.128 1.00 2.11 H new ATOM 0 HE22 GLN A 467 -6.756 -22.407 0.862 1.00 2.11 H new ATOM 1042 N GLU A 468 -7.732 -27.951 -0.003 1.00 22.21 N ATOM 1043 CA GLU A 468 -7.733 -28.631 1.266 1.00 21.54 C ATOM 1044 C GLU A 468 -7.641 -30.129 1.044 1.00 32.14 C ATOM 1045 O GLU A 468 -7.172 -30.868 1.912 1.00 4.34 O ATOM 1046 CB GLU A 468 -8.997 -28.281 2.046 1.00 11.02 C ATOM 1047 CG GLU A 468 -9.194 -26.784 2.268 1.00 60.34 C ATOM 1048 CD GLU A 468 -8.033 -26.135 2.983 1.00 2.33 C ATOM 1049 OE1 GLU A 468 -7.944 -26.271 4.219 1.00 64.32 O ATOM 1050 OE2 GLU A 468 -7.192 -25.470 2.321 1.00 41.04 O ATOM 0 H GLU A 468 -8.647 -27.610 -0.298 1.00 22.21 H new ATOM 0 HA GLU A 468 -6.869 -28.309 1.848 1.00 21.54 H new ATOM 0 HB2 GLU A 468 -9.862 -28.676 1.513 1.00 11.02 H new ATOM 0 HB3 GLU A 468 -8.964 -28.780 3.014 1.00 11.02 H new ATOM 0 HG2 GLU A 468 -9.339 -26.296 1.304 1.00 60.34 H new ATOM 0 HG3 GLU A 468 -10.104 -26.625 2.846 1.00 60.34 H new ATOM 1057 N LYS A 469 -8.074 -30.550 -0.152 1.00 51.54 N ATOM 1058 CA LYS A 469 -8.099 -31.942 -0.587 1.00 42.44 C ATOM 1059 C LYS A 469 -9.057 -32.765 0.248 1.00 24.42 C ATOM 1060 O LYS A 469 -8.803 -33.068 1.420 1.00 52.44 O ATOM 1061 CB LYS A 469 -6.697 -32.568 -0.656 1.00 33.32 C ATOM 1062 CG LYS A 469 -5.795 -31.890 -1.646 1.00 64.34 C ATOM 1063 CD LYS A 469 -4.461 -32.583 -1.736 1.00 32.23 C ATOM 1064 CE LYS A 469 -3.607 -31.908 -2.765 1.00 23.10 C ATOM 1065 NZ LYS A 469 -2.317 -32.594 -2.966 1.00 1.22 N ATOM 0 H LYS A 469 -8.426 -29.907 -0.861 1.00 51.54 H new ATOM 0 HA LYS A 469 -8.476 -31.946 -1.610 1.00 42.44 H new ATOM 0 HB2 LYS A 469 -6.238 -32.526 0.332 1.00 33.32 H new ATOM 0 HB3 LYS A 469 -6.789 -33.621 -0.920 1.00 33.32 H new ATOM 0 HG2 LYS A 469 -6.270 -31.882 -2.627 1.00 64.34 H new ATOM 0 HG3 LYS A 469 -5.648 -30.850 -1.354 1.00 64.34 H new ATOM 0 HD2 LYS A 469 -3.964 -32.561 -0.766 1.00 32.23 H new ATOM 0 HD3 LYS A 469 -4.602 -33.631 -1.998 1.00 32.23 H new ATOM 0 HE2 LYS A 469 -4.146 -31.870 -3.712 1.00 23.10 H new ATOM 0 HE3 LYS A 469 -3.423 -30.877 -2.461 1.00 23.10 H new ATOM 0 HZ1 LYS A 469 -1.764 -32.088 -3.687 1.00 1.22 H new ATOM 0 HZ2 LYS A 469 -1.788 -32.608 -2.071 1.00 1.22 H new ATOM 0 HZ3 LYS A 469 -2.488 -33.570 -3.282 1.00 1.22 H new ATOM 1079 N CYS A 470 -10.159 -33.109 -0.343 1.00 12.10 N ATOM 1080 CA CYS A 470 -11.179 -33.825 0.359 1.00 75.24 C ATOM 1081 C CYS A 470 -11.353 -35.226 -0.238 1.00 51.25 C ATOM 1082 O CYS A 470 -11.087 -35.451 -1.422 1.00 14.01 O ATOM 1083 CB CYS A 470 -12.488 -33.044 0.253 1.00 11.42 C ATOM 1084 SG CYS A 470 -12.372 -31.313 0.772 1.00 31.51 S ATOM 0 H CYS A 470 -10.376 -32.904 -1.318 1.00 12.10 H new ATOM 0 HA CYS A 470 -10.896 -33.933 1.406 1.00 75.24 H new ATOM 0 HB2 CYS A 470 -12.834 -33.078 -0.780 1.00 11.42 H new ATOM 0 HB3 CYS A 470 -13.244 -33.542 0.860 1.00 11.42 H new ATOM 0 HG CYS A 470 -11.700 -30.639 -0.113 1.00 31.51 H new ATOM 1090 N PHE A 471 -11.810 -36.154 0.572 1.00 1.31 N ATOM 1091 CA PHE A 471 -12.050 -37.526 0.132 1.00 1.41 C ATOM 1092 C PHE A 471 -13.542 -37.674 -0.206 1.00 63.43 C ATOM 1093 O PHE A 471 -14.056 -38.759 -0.451 1.00 62.44 O ATOM 1094 CB PHE A 471 -11.619 -38.516 1.248 1.00 52.40 C ATOM 1095 CG PHE A 471 -11.698 -39.976 0.865 1.00 54.21 C ATOM 1096 CD1 PHE A 471 -12.705 -40.790 1.366 1.00 65.41 C ATOM 1097 CD2 PHE A 471 -10.774 -40.524 -0.006 1.00 13.24 C ATOM 1098 CE1 PHE A 471 -12.787 -42.117 1.005 1.00 65.45 C ATOM 1099 CE2 PHE A 471 -10.850 -41.853 -0.368 1.00 21.33 C ATOM 1100 CZ PHE A 471 -11.858 -42.649 0.137 1.00 15.25 C ATOM 0 H PHE A 471 -12.028 -35.988 1.554 1.00 1.31 H new ATOM 0 HA PHE A 471 -11.462 -37.754 -0.757 1.00 1.41 H new ATOM 0 HB2 PHE A 471 -10.595 -38.287 1.542 1.00 52.40 H new ATOM 0 HB3 PHE A 471 -12.246 -38.350 2.124 1.00 52.40 H new ATOM 0 HD1 PHE A 471 -13.434 -40.377 2.048 1.00 65.41 H new ATOM 0 HD2 PHE A 471 -9.985 -39.905 -0.407 1.00 13.24 H new ATOM 0 HE1 PHE A 471 -13.577 -42.738 1.401 1.00 65.45 H new ATOM 0 HE2 PHE A 471 -10.121 -42.270 -1.046 1.00 21.33 H new ATOM 0 HZ PHE A 471 -11.919 -43.689 -0.148 1.00 15.25 H new ATOM 1110 N LEU A 472 -14.210 -36.549 -0.248 1.00 53.00 N ATOM 1111 CA LEU A 472 -15.633 -36.490 -0.501 1.00 31.10 C ATOM 1112 C LEU A 472 -15.968 -36.856 -1.934 1.00 51.04 C ATOM 1113 O LEU A 472 -17.007 -37.462 -2.185 1.00 63.13 O ATOM 1114 CB LEU A 472 -16.146 -35.083 -0.217 1.00 11.30 C ATOM 1115 CG LEU A 472 -15.946 -34.564 1.203 1.00 73.21 C ATOM 1116 CD1 LEU A 472 -16.395 -33.131 1.300 1.00 61.21 C ATOM 1117 CD2 LEU A 472 -16.707 -35.413 2.202 1.00 21.45 C ATOM 0 H LEU A 472 -13.779 -35.636 -0.106 1.00 53.00 H new ATOM 0 HA LEU A 472 -16.114 -37.213 0.158 1.00 31.10 H new ATOM 0 HB2 LEU A 472 -15.655 -34.395 -0.905 1.00 11.30 H new ATOM 0 HB3 LEU A 472 -17.212 -35.055 -0.444 1.00 11.30 H new ATOM 0 HG LEU A 472 -14.884 -34.623 1.440 1.00 73.21 H new ATOM 0 HD11 LEU A 472 -16.247 -32.772 2.318 1.00 61.21 H new ATOM 0 HD12 LEU A 472 -15.812 -32.520 0.611 1.00 61.21 H new ATOM 0 HD13 LEU A 472 -17.451 -33.062 1.041 1.00 61.21 H new ATOM 0 HD21 LEU A 472 -16.548 -35.022 3.207 1.00 21.45 H new ATOM 0 HD22 LEU A 472 -17.771 -35.386 1.966 1.00 21.45 H new ATOM 0 HD23 LEU A 472 -16.350 -36.442 2.152 1.00 21.45 H new ATOM 1129 N PHE A 473 -15.060 -36.511 -2.857 1.00 64.03 N ATOM 1130 CA PHE A 473 -15.277 -36.641 -4.302 1.00 4.05 C ATOM 1131 C PHE A 473 -16.368 -35.678 -4.714 1.00 12.11 C ATOM 1132 O PHE A 473 -17.530 -36.056 -4.869 1.00 23.44 O ATOM 1133 CB PHE A 473 -15.614 -38.082 -4.771 1.00 51.42 C ATOM 1134 CG PHE A 473 -14.554 -39.112 -4.494 1.00 64.21 C ATOM 1135 CD1 PHE A 473 -14.631 -39.920 -3.376 1.00 1.40 C ATOM 1136 CD2 PHE A 473 -13.489 -39.275 -5.356 1.00 35.33 C ATOM 1137 CE1 PHE A 473 -13.668 -40.871 -3.121 1.00 60.23 C ATOM 1138 CE2 PHE A 473 -12.519 -40.225 -5.107 1.00 32.11 C ATOM 1139 CZ PHE A 473 -12.610 -41.022 -3.986 1.00 20.11 C ATOM 0 H PHE A 473 -14.145 -36.130 -2.617 1.00 64.03 H new ATOM 0 HA PHE A 473 -14.334 -36.399 -4.792 1.00 4.05 H new ATOM 0 HB2 PHE A 473 -16.539 -38.397 -4.287 1.00 51.42 H new ATOM 0 HB3 PHE A 473 -15.806 -38.062 -5.844 1.00 51.42 H new ATOM 0 HD1 PHE A 473 -15.459 -39.804 -2.692 1.00 1.40 H new ATOM 0 HD2 PHE A 473 -13.413 -38.652 -6.235 1.00 35.33 H new ATOM 0 HE1 PHE A 473 -13.744 -41.497 -2.244 1.00 60.23 H new ATOM 0 HE2 PHE A 473 -11.690 -40.344 -5.789 1.00 32.11 H new ATOM 0 HZ PHE A 473 -11.851 -41.764 -3.787 1.00 20.11 H new ATOM 1149 N TRP A 474 -16.011 -34.427 -4.798 1.00 14.41 N ATOM 1150 CA TRP A 474 -16.971 -33.388 -5.098 1.00 34.34 C ATOM 1151 C TRP A 474 -16.235 -32.177 -5.655 1.00 31.33 C ATOM 1152 O TRP A 474 -16.635 -31.582 -6.655 1.00 43.43 O ATOM 1153 CB TRP A 474 -17.703 -33.012 -3.795 1.00 54.20 C ATOM 1154 CG TRP A 474 -18.877 -32.102 -3.964 1.00 63.55 C ATOM 1155 CD1 TRP A 474 -18.869 -30.741 -4.001 1.00 15.51 C ATOM 1156 CD2 TRP A 474 -20.243 -32.501 -4.094 1.00 21.11 C ATOM 1157 NE1 TRP A 474 -20.146 -30.272 -4.152 1.00 43.04 N ATOM 1158 CE2 TRP A 474 -21.007 -31.333 -4.213 1.00 74.45 C ATOM 1159 CE3 TRP A 474 -20.890 -33.737 -4.126 1.00 55.15 C ATOM 1160 CZ2 TRP A 474 -22.386 -31.360 -4.357 1.00 52.23 C ATOM 1161 CZ3 TRP A 474 -22.261 -33.765 -4.270 1.00 55.44 C ATOM 1162 CH2 TRP A 474 -22.996 -32.584 -4.386 1.00 34.51 C ATOM 0 H TRP A 474 -15.056 -34.095 -4.663 1.00 14.41 H new ATOM 0 HA TRP A 474 -17.694 -33.733 -5.837 1.00 34.34 H new ATOM 0 HB2 TRP A 474 -18.040 -33.928 -3.310 1.00 54.20 H new ATOM 0 HB3 TRP A 474 -16.990 -32.538 -3.121 1.00 54.20 H new ATOM 0 HD1 TRP A 474 -17.986 -30.123 -3.923 1.00 15.51 H new ATOM 0 HE1 TRP A 474 -20.413 -29.289 -4.210 1.00 43.04 H new ATOM 0 HE3 TRP A 474 -20.327 -34.655 -4.040 1.00 55.15 H new ATOM 0 HZ2 TRP A 474 -22.958 -30.448 -4.443 1.00 52.23 H new ATOM 0 HZ3 TRP A 474 -22.774 -34.715 -4.293 1.00 55.44 H new ATOM 0 HH2 TRP A 474 -24.069 -32.638 -4.501 1.00 34.51 H new ATOM 1173 N SER A 475 -15.175 -31.812 -4.987 1.00 73.33 N ATOM 1174 CA SER A 475 -14.347 -30.699 -5.363 1.00 54.45 C ATOM 1175 C SER A 475 -12.923 -30.970 -4.906 1.00 12.54 C ATOM 1176 O SER A 475 -12.704 -31.145 -3.691 1.00 38.76 O ATOM 1177 CB SER A 475 -14.894 -29.383 -4.790 1.00 32.21 C ATOM 1178 OG SER A 475 -16.207 -29.134 -5.292 1.00 43.32 O ATOM 1179 OXT SER A 475 -12.015 -31.017 -5.762 1.00 38.76 O ATOM 0 H SER A 475 -14.855 -32.292 -4.146 1.00 73.33 H new ATOM 0 HA SER A 475 -14.352 -30.588 -6.447 1.00 54.45 H new ATOM 0 HB2 SER A 475 -14.917 -29.434 -3.701 1.00 32.21 H new ATOM 0 HB3 SER A 475 -14.232 -28.559 -5.057 1.00 32.21 H new ATOM 0 HG SER A 475 -16.546 -28.294 -4.919 1.00 43.32 H new TER 1185 SER A 475