USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 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 463 GLN : amide:sc= 0.579 K(o=1.7,f=-0.29) USER MOD Set 1.2: A 475 SER OG : rot -13:sc= 1.13 USER MOD Set 2.1: A 418 GLN : amide:sc= 0.787 K(o=2,f=-2.2) USER MOD Set 2.2: A 419 SER OG : rot -2:sc= 1.23 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 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 425 LYS NZ :NH3+ 139:sc= 1.23 (180deg=0.921) USER MOD Single : A 428 SER OG : rot 180:sc= 0.00663 USER MOD Single : A 429 THR OG1 : rot -170:sc= -0.853 USER MOD Single : A 431 TYR OH : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 76:sc= 1.15 USER MOD Single : A 433 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 437 MET CE :methyl 158:sc= -1.07 (180deg=-1.5) USER MOD Single : A 439 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 442 HIS : no HD1:sc= -0.175 X(o=-0.17,f=0.031) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -0.0275 X(o=-0.027,f=0) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 74:sc= 0.956 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= -1.32 K(o=-1.3,f=-4.2!) USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 CYS SG : rot -85:sc= -2! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 403 -31.151 30.524 6.178 1.00 32.53 N ATOM 2 CA GLY A 403 -29.926 29.996 5.593 1.00 42.14 C ATOM 3 C GLY A 403 -30.087 28.547 5.220 1.00 11.44 C ATOM 4 O GLY A 403 -31.195 28.089 4.957 1.00 63.25 O ATOM 0 HA2 GLY A 403 -29.662 30.576 4.708 1.00 42.14 H new ATOM 0 HA3 GLY A 403 -29.105 30.104 6.301 1.00 42.14 H new ATOM 10 N SER A 404 -29.003 27.830 5.185 1.00 42.25 N ATOM 11 CA SER A 404 -29.030 26.434 4.890 1.00 32.14 C ATOM 12 C SER A 404 -28.646 25.646 6.149 1.00 35.21 C ATOM 13 O SER A 404 -27.513 25.702 6.613 1.00 4.34 O ATOM 14 CB SER A 404 -28.098 26.137 3.721 1.00 52.02 C ATOM 15 OG SER A 404 -28.476 26.895 2.578 1.00 34.34 O ATOM 0 H SER A 404 -28.070 28.203 5.362 1.00 42.25 H new ATOM 0 HA SER A 404 -30.033 26.127 4.593 1.00 32.14 H new ATOM 0 HB2 SER A 404 -27.071 26.373 3.998 1.00 52.02 H new ATOM 0 HB3 SER A 404 -28.128 25.073 3.485 1.00 52.02 H new ATOM 0 HG SER A 404 -27.867 26.695 1.837 1.00 34.34 H new ATOM 21 N LYS A 405 -29.603 24.929 6.681 1.00 15.04 N ATOM 22 CA LYS A 405 -29.470 24.192 7.939 1.00 72.31 C ATOM 23 C LYS A 405 -28.463 23.052 7.822 1.00 13.11 C ATOM 24 O LYS A 405 -27.821 22.666 8.794 1.00 73.12 O ATOM 25 CB LYS A 405 -30.806 23.560 8.283 1.00 34.33 C ATOM 26 CG LYS A 405 -31.986 24.495 8.403 1.00 65.32 C ATOM 27 CD LYS A 405 -33.235 23.671 8.634 1.00 15.23 C ATOM 28 CE LYS A 405 -34.480 24.513 8.714 1.00 2.13 C ATOM 29 NZ LYS A 405 -35.682 23.672 8.880 1.00 1.12 N ATOM 0 H LYS A 405 -30.523 24.831 6.251 1.00 15.04 H new ATOM 0 HA LYS A 405 -29.137 24.899 8.699 1.00 72.31 H new ATOM 0 HB2 LYS A 405 -31.037 22.816 7.521 1.00 34.33 H new ATOM 0 HB3 LYS A 405 -30.697 23.026 9.227 1.00 34.33 H new ATOM 0 HG2 LYS A 405 -31.834 25.191 9.228 1.00 65.32 H new ATOM 0 HG3 LYS A 405 -32.089 25.092 7.497 1.00 65.32 H new ATOM 0 HD2 LYS A 405 -33.342 22.947 7.826 1.00 15.23 H new ATOM 0 HD3 LYS A 405 -33.125 23.103 9.558 1.00 15.23 H new ATOM 0 HE2 LYS A 405 -34.400 25.207 9.551 1.00 2.13 H new ATOM 0 HE3 LYS A 405 -34.575 25.114 7.809 1.00 2.13 H new ATOM 0 HZ1 LYS A 405 -36.525 24.278 8.932 1.00 1.12 H new ATOM 0 HZ2 LYS A 405 -35.769 23.027 8.069 1.00 1.12 H new ATOM 0 HZ3 LYS A 405 -35.599 23.118 9.756 1.00 1.12 H new ATOM 43 N ILE A 406 -28.315 22.548 6.623 1.00 11.53 N ATOM 44 CA ILE A 406 -27.541 21.341 6.379 1.00 34.41 C ATOM 45 C ILE A 406 -26.033 21.635 6.196 1.00 32.12 C ATOM 46 O ILE A 406 -25.223 20.714 6.123 1.00 21.25 O ATOM 47 CB ILE A 406 -28.104 20.611 5.119 1.00 60.21 C ATOM 48 CG1 ILE A 406 -27.446 19.225 4.910 1.00 41.34 C ATOM 49 CG2 ILE A 406 -27.919 21.489 3.884 1.00 53.14 C ATOM 50 CD1 ILE A 406 -27.982 18.452 3.719 1.00 62.13 C ATOM 0 H ILE A 406 -28.725 22.957 5.783 1.00 11.53 H new ATOM 0 HA ILE A 406 -27.636 20.701 7.256 1.00 34.41 H new ATOM 0 HB ILE A 406 -29.168 20.438 5.280 1.00 60.21 H new ATOM 0 HG12 ILE A 406 -26.372 19.361 4.786 1.00 41.34 H new ATOM 0 HG13 ILE A 406 -27.590 18.628 5.810 1.00 41.34 H new ATOM 0 HG21 ILE A 406 -28.314 20.973 3.009 1.00 53.14 H new ATOM 0 HG22 ILE A 406 -28.453 22.429 4.023 1.00 53.14 H new ATOM 0 HG23 ILE A 406 -26.858 21.692 3.738 1.00 53.14 H new ATOM 0 HD11 ILE A 406 -27.467 17.494 3.646 1.00 62.13 H new ATOM 0 HD12 ILE A 406 -29.051 18.281 3.847 1.00 62.13 H new ATOM 0 HD13 ILE A 406 -27.813 19.025 2.807 1.00 62.13 H new ATOM 62 N GLU A 407 -25.650 22.907 6.187 1.00 73.35 N ATOM 63 CA GLU A 407 -24.245 23.259 5.948 1.00 52.13 C ATOM 64 C GLU A 407 -23.306 22.657 7.002 1.00 60.01 C ATOM 65 O GLU A 407 -22.354 21.964 6.638 1.00 14.55 O ATOM 66 CB GLU A 407 -24.008 24.757 5.808 1.00 31.53 C ATOM 67 CG GLU A 407 -24.754 25.403 4.675 1.00 23.53 C ATOM 68 CD GLU A 407 -24.386 26.851 4.508 1.00 63.43 C ATOM 69 OE1 GLU A 407 -24.858 27.701 5.301 1.00 20.41 O ATOM 70 OE2 GLU A 407 -23.614 27.172 3.581 1.00 11.55 O ATOM 0 H GLU A 407 -26.273 23.700 6.338 1.00 73.35 H new ATOM 0 HA GLU A 407 -24.004 22.812 4.984 1.00 52.13 H new ATOM 0 HB2 GLU A 407 -24.293 25.246 6.740 1.00 31.53 H new ATOM 0 HB3 GLU A 407 -22.941 24.932 5.670 1.00 31.53 H new ATOM 0 HG2 GLU A 407 -24.543 24.867 3.750 1.00 23.53 H new ATOM 0 HG3 GLU A 407 -25.826 25.320 4.854 1.00 23.53 H new ATOM 77 N PRO A 408 -23.557 22.885 8.328 1.00 61.13 N ATOM 78 CA PRO A 408 -22.725 22.295 9.395 1.00 20.13 C ATOM 79 C PRO A 408 -22.897 20.770 9.502 1.00 74.33 C ATOM 80 O PRO A 408 -22.147 20.098 10.200 1.00 12.31 O ATOM 81 CB PRO A 408 -23.257 22.965 10.664 1.00 51.12 C ATOM 82 CG PRO A 408 -24.661 23.316 10.323 1.00 20.32 C ATOM 83 CD PRO A 408 -24.619 23.755 8.905 1.00 71.25 C ATOM 0 HA PRO A 408 -21.662 22.455 9.212 1.00 20.13 H new ATOM 0 HB2 PRO A 408 -23.210 22.292 11.520 1.00 51.12 H new ATOM 0 HB3 PRO A 408 -22.676 23.850 10.922 1.00 51.12 H new ATOM 0 HG2 PRO A 408 -25.323 22.460 10.451 1.00 20.32 H new ATOM 0 HG3 PRO A 408 -25.037 24.109 10.970 1.00 20.32 H new ATOM 0 HD2 PRO A 408 -25.578 23.609 8.407 1.00 71.25 H new ATOM 0 HD3 PRO A 408 -24.370 24.812 8.815 1.00 71.25 H new ATOM 91 N VAL A 409 -23.884 20.244 8.796 1.00 24.24 N ATOM 92 CA VAL A 409 -24.185 18.822 8.832 1.00 35.54 C ATOM 93 C VAL A 409 -23.289 18.066 7.843 1.00 71.44 C ATOM 94 O VAL A 409 -22.944 16.896 8.063 1.00 32.01 O ATOM 95 CB VAL A 409 -25.689 18.561 8.501 1.00 62.23 C ATOM 96 CG1 VAL A 409 -26.035 17.077 8.587 1.00 3.11 C ATOM 97 CG2 VAL A 409 -26.595 19.367 9.427 1.00 72.10 C ATOM 0 H VAL A 409 -24.496 20.786 8.186 1.00 24.24 H new ATOM 0 HA VAL A 409 -23.989 18.458 9.841 1.00 35.54 H new ATOM 0 HB VAL A 409 -25.856 18.886 7.474 1.00 62.23 H new ATOM 0 HG11 VAL A 409 -27.089 16.935 8.350 1.00 3.11 H new ATOM 0 HG12 VAL A 409 -25.425 16.519 7.876 1.00 3.11 H new ATOM 0 HG13 VAL A 409 -25.838 16.715 9.596 1.00 3.11 H new ATOM 0 HG21 VAL A 409 -27.638 19.170 9.178 1.00 72.10 H new ATOM 0 HG22 VAL A 409 -26.408 19.078 10.461 1.00 72.10 H new ATOM 0 HG23 VAL A 409 -26.388 20.430 9.304 1.00 72.10 H new ATOM 107 N VAL A 410 -22.874 18.757 6.789 1.00 44.54 N ATOM 108 CA VAL A 410 -22.060 18.157 5.733 1.00 32.33 C ATOM 109 C VAL A 410 -20.674 17.737 6.238 1.00 60.42 C ATOM 110 O VAL A 410 -20.188 16.662 5.888 1.00 42.11 O ATOM 111 CB VAL A 410 -21.918 19.103 4.500 1.00 21.30 C ATOM 112 CG1 VAL A 410 -21.047 18.478 3.412 1.00 20.33 C ATOM 113 CG2 VAL A 410 -23.285 19.443 3.932 1.00 43.54 C ATOM 0 H VAL A 410 -23.089 19.743 6.640 1.00 44.54 H new ATOM 0 HA VAL A 410 -22.590 17.258 5.417 1.00 32.33 H new ATOM 0 HB VAL A 410 -21.432 20.017 4.842 1.00 21.30 H new ATOM 0 HG11 VAL A 410 -20.970 19.164 2.569 1.00 20.33 H new ATOM 0 HG12 VAL A 410 -20.052 18.280 3.811 1.00 20.33 H new ATOM 0 HG13 VAL A 410 -21.497 17.543 3.079 1.00 20.33 H new ATOM 0 HG21 VAL A 410 -23.168 20.103 3.073 1.00 43.54 H new ATOM 0 HG22 VAL A 410 -23.787 18.527 3.620 1.00 43.54 H new ATOM 0 HG23 VAL A 410 -23.882 19.943 4.695 1.00 43.54 H new ATOM 123 N LEU A 411 -20.066 18.561 7.083 1.00 61.25 N ATOM 124 CA LEU A 411 -18.717 18.281 7.592 1.00 5.13 C ATOM 125 C LEU A 411 -18.584 16.919 8.300 1.00 21.21 C ATOM 126 O LEU A 411 -17.776 16.091 7.870 1.00 2.43 O ATOM 127 CB LEU A 411 -18.132 19.417 8.460 1.00 53.24 C ATOM 128 CG LEU A 411 -17.767 20.736 7.756 1.00 21.42 C ATOM 129 CD1 LEU A 411 -18.992 21.475 7.231 1.00 5.24 C ATOM 130 CD2 LEU A 411 -16.959 21.616 8.677 1.00 42.42 C ATOM 0 H LEU A 411 -20.478 19.426 7.432 1.00 61.25 H new ATOM 0 HA LEU A 411 -18.110 18.225 6.688 1.00 5.13 H new ATOM 0 HB2 LEU A 411 -18.852 19.644 9.246 1.00 53.24 H new ATOM 0 HB3 LEU A 411 -17.235 19.038 8.949 1.00 53.24 H new ATOM 0 HG LEU A 411 -17.160 20.482 6.887 1.00 21.42 H new ATOM 0 HD11 LEU A 411 -18.679 22.398 6.744 1.00 5.24 H new ATOM 0 HD12 LEU A 411 -19.517 20.845 6.513 1.00 5.24 H new ATOM 0 HD13 LEU A 411 -19.658 21.711 8.061 1.00 5.24 H new ATOM 0 HD21 LEU A 411 -16.708 22.545 8.165 1.00 42.42 H new ATOM 0 HD22 LEU A 411 -17.542 21.840 9.570 1.00 42.42 H new ATOM 0 HD23 LEU A 411 -16.042 21.100 8.962 1.00 42.42 H new ATOM 142 N PRO A 412 -19.375 16.628 9.382 1.00 74.42 N ATOM 143 CA PRO A 412 -19.255 15.361 10.097 1.00 1.25 C ATOM 144 C PRO A 412 -19.613 14.158 9.218 1.00 4.00 C ATOM 145 O PRO A 412 -19.095 13.052 9.415 1.00 64.10 O ATOM 146 CB PRO A 412 -20.255 15.479 11.257 1.00 2.41 C ATOM 147 CG PRO A 412 -20.520 16.933 11.385 1.00 34.42 C ATOM 148 CD PRO A 412 -20.407 17.488 10.001 1.00 43.44 C ATOM 0 HA PRO A 412 -18.229 15.192 10.424 1.00 1.25 H new ATOM 0 HB2 PRO A 412 -21.171 14.927 11.047 1.00 2.41 H new ATOM 0 HB3 PRO A 412 -19.841 15.070 12.179 1.00 2.41 H new ATOM 0 HG2 PRO A 412 -21.511 17.115 11.800 1.00 34.42 H new ATOM 0 HG3 PRO A 412 -19.802 17.404 12.056 1.00 34.42 H new ATOM 0 HD2 PRO A 412 -21.354 17.432 9.465 1.00 43.44 H new ATOM 0 HD3 PRO A 412 -20.107 18.536 10.009 1.00 43.44 H new ATOM 156 N LEU A 413 -20.494 14.374 8.254 1.00 32.41 N ATOM 157 CA LEU A 413 -20.914 13.312 7.359 1.00 51.21 C ATOM 158 C LEU A 413 -19.861 12.985 6.327 1.00 45.42 C ATOM 159 O LEU A 413 -19.672 11.834 5.996 1.00 13.25 O ATOM 160 CB LEU A 413 -22.228 13.644 6.669 1.00 53.53 C ATOM 161 CG LEU A 413 -23.454 13.734 7.571 1.00 64.54 C ATOM 162 CD1 LEU A 413 -24.665 14.046 6.742 1.00 52.31 C ATOM 163 CD2 LEU A 413 -23.663 12.431 8.333 1.00 31.12 C ATOM 0 H LEU A 413 -20.932 15.277 8.073 1.00 32.41 H new ATOM 0 HA LEU A 413 -21.061 12.431 7.984 1.00 51.21 H new ATOM 0 HB2 LEU A 413 -22.113 14.596 6.151 1.00 53.53 H new ATOM 0 HB3 LEU A 413 -22.417 12.887 5.908 1.00 53.53 H new ATOM 0 HG LEU A 413 -23.296 14.531 8.298 1.00 64.54 H new ATOM 0 HD11 LEU A 413 -25.541 14.110 7.387 1.00 52.31 H new ATOM 0 HD12 LEU A 413 -24.521 14.998 6.231 1.00 52.31 H new ATOM 0 HD13 LEU A 413 -24.814 13.257 6.005 1.00 52.31 H new ATOM 0 HD21 LEU A 413 -24.543 12.519 8.970 1.00 31.12 H new ATOM 0 HD22 LEU A 413 -23.807 11.615 7.625 1.00 31.12 H new ATOM 0 HD23 LEU A 413 -22.788 12.226 8.950 1.00 31.12 H new ATOM 175 N LEU A 414 -19.144 14.001 5.872 1.00 61.23 N ATOM 176 CA LEU A 414 -18.160 13.863 4.797 1.00 21.03 C ATOM 177 C LEU A 414 -17.113 12.788 5.111 1.00 43.43 C ATOM 178 O LEU A 414 -16.897 11.861 4.314 1.00 22.11 O ATOM 179 CB LEU A 414 -17.479 15.217 4.562 1.00 22.33 C ATOM 180 CG LEU A 414 -16.410 15.274 3.476 1.00 11.35 C ATOM 181 CD1 LEU A 414 -16.994 14.911 2.117 1.00 34.23 C ATOM 182 CD2 LEU A 414 -15.778 16.653 3.447 1.00 41.42 C ATOM 0 H LEU A 414 -19.225 14.950 6.236 1.00 61.23 H new ATOM 0 HA LEU A 414 -18.682 13.546 3.894 1.00 21.03 H new ATOM 0 HB2 LEU A 414 -18.251 15.946 4.316 1.00 22.33 H new ATOM 0 HB3 LEU A 414 -17.026 15.536 5.501 1.00 22.33 H new ATOM 0 HG LEU A 414 -15.637 14.541 3.707 1.00 11.35 H new ATOM 0 HD11 LEU A 414 -16.211 14.959 1.360 1.00 34.23 H new ATOM 0 HD12 LEU A 414 -17.401 13.901 2.154 1.00 34.23 H new ATOM 0 HD13 LEU A 414 -17.788 15.613 1.863 1.00 34.23 H new ATOM 0 HD21 LEU A 414 -15.015 16.687 2.669 1.00 41.42 H new ATOM 0 HD22 LEU A 414 -16.544 17.400 3.237 1.00 41.42 H new ATOM 0 HD23 LEU A 414 -15.320 16.864 4.414 1.00 41.42 H new ATOM 194 N TRP A 415 -16.519 12.875 6.281 1.00 13.42 N ATOM 195 CA TRP A 415 -15.497 11.919 6.694 1.00 12.10 C ATOM 196 C TRP A 415 -16.125 10.556 6.965 1.00 21.14 C ATOM 197 O TRP A 415 -15.540 9.505 6.692 1.00 4.04 O ATOM 198 CB TRP A 415 -14.790 12.412 7.962 1.00 41.22 C ATOM 199 CG TRP A 415 -14.102 13.735 7.806 1.00 31.02 C ATOM 200 CD1 TRP A 415 -14.661 14.972 7.952 1.00 54.22 C ATOM 201 CD2 TRP A 415 -12.722 13.955 7.488 1.00 62.13 C ATOM 202 NE1 TRP A 415 -13.723 15.941 7.733 1.00 62.21 N ATOM 203 CE2 TRP A 415 -12.524 15.349 7.450 1.00 43.10 C ATOM 204 CE3 TRP A 415 -11.638 13.110 7.234 1.00 20.25 C ATOM 205 CZ2 TRP A 415 -11.285 15.917 7.163 1.00 2.02 C ATOM 206 CZ3 TRP A 415 -10.410 13.676 6.950 1.00 52.24 C ATOM 207 CH2 TRP A 415 -10.241 15.066 6.919 1.00 24.23 C ATOM 0 H TRP A 415 -16.722 13.599 6.971 1.00 13.42 H new ATOM 0 HA TRP A 415 -14.769 11.826 5.888 1.00 12.10 H new ATOM 0 HB2 TRP A 415 -15.522 12.488 8.766 1.00 41.22 H new ATOM 0 HB3 TRP A 415 -14.056 11.667 8.268 1.00 41.22 H new ATOM 0 HD1 TRP A 415 -15.695 15.158 8.204 1.00 54.22 H new ATOM 0 HE1 TRP A 415 -13.891 16.946 7.774 1.00 62.21 H new ATOM 0 HE3 TRP A 415 -11.758 12.037 7.259 1.00 20.25 H new ATOM 0 HZ2 TRP A 415 -11.153 16.989 7.134 1.00 2.02 H new ATOM 0 HZ3 TRP A 415 -9.565 13.035 6.748 1.00 52.24 H new ATOM 0 HH2 TRP A 415 -9.266 15.475 6.698 1.00 24.23 H new ATOM 218 N PHE A 416 -17.336 10.593 7.447 1.00 73.45 N ATOM 219 CA PHE A 416 -18.037 9.411 7.885 1.00 33.04 C ATOM 220 C PHE A 416 -18.490 8.586 6.664 1.00 25.51 C ATOM 221 O PHE A 416 -18.535 7.340 6.703 1.00 63.32 O ATOM 222 CB PHE A 416 -19.211 9.849 8.785 1.00 15.25 C ATOM 223 CG PHE A 416 -19.904 8.768 9.561 1.00 14.00 C ATOM 224 CD1 PHE A 416 -19.225 8.063 10.541 1.00 52.23 C ATOM 225 CD2 PHE A 416 -21.238 8.487 9.350 1.00 75.34 C ATOM 226 CE1 PHE A 416 -19.865 7.093 11.287 1.00 62.22 C ATOM 227 CE2 PHE A 416 -21.886 7.514 10.092 1.00 11.11 C ATOM 228 CZ PHE A 416 -21.197 6.818 11.061 1.00 74.20 C ATOM 0 H PHE A 416 -17.873 11.454 7.549 1.00 73.45 H new ATOM 0 HA PHE A 416 -17.387 8.761 8.471 1.00 33.04 H new ATOM 0 HB2 PHE A 416 -18.840 10.591 9.492 1.00 15.25 H new ATOM 0 HB3 PHE A 416 -19.952 10.347 8.160 1.00 15.25 H new ATOM 0 HD1 PHE A 416 -18.182 8.275 10.724 1.00 52.23 H new ATOM 0 HD2 PHE A 416 -21.784 9.033 8.596 1.00 75.34 H new ATOM 0 HE1 PHE A 416 -19.323 6.550 12.047 1.00 62.22 H new ATOM 0 HE2 PHE A 416 -22.929 7.301 9.912 1.00 11.11 H new ATOM 0 HZ PHE A 416 -21.699 6.059 11.642 1.00 74.20 H new ATOM 238 N GLU A 417 -18.781 9.281 5.576 1.00 3.43 N ATOM 239 CA GLU A 417 -19.182 8.650 4.339 1.00 22.35 C ATOM 240 C GLU A 417 -17.991 8.074 3.621 1.00 5.12 C ATOM 241 O GLU A 417 -18.058 6.971 3.101 1.00 54.20 O ATOM 242 CB GLU A 417 -19.882 9.624 3.401 1.00 12.43 C ATOM 243 CG GLU A 417 -21.185 10.188 3.904 1.00 75.20 C ATOM 244 CD GLU A 417 -21.859 11.039 2.860 1.00 13.42 C ATOM 245 OE1 GLU A 417 -22.833 10.567 2.236 1.00 31.42 O ATOM 246 OE2 GLU A 417 -21.413 12.169 2.614 1.00 54.33 O ATOM 0 H GLU A 417 -18.744 10.299 5.531 1.00 3.43 H new ATOM 0 HA GLU A 417 -19.879 7.857 4.610 1.00 22.35 H new ATOM 0 HB2 GLU A 417 -19.204 10.452 3.194 1.00 12.43 H new ATOM 0 HB3 GLU A 417 -20.067 9.119 2.453 1.00 12.43 H new ATOM 0 HG2 GLU A 417 -21.848 9.373 4.193 1.00 75.20 H new ATOM 0 HG3 GLU A 417 -21.003 10.784 4.799 1.00 75.20 H new ATOM 253 N GLN A 418 -16.881 8.805 3.612 1.00 62.44 N ATOM 254 CA GLN A 418 -15.708 8.372 2.863 1.00 10.10 C ATOM 255 C GLN A 418 -15.014 7.164 3.502 1.00 62.44 C ATOM 256 O GLN A 418 -14.212 6.488 2.869 1.00 11.11 O ATOM 257 CB GLN A 418 -14.764 9.559 2.548 1.00 31.04 C ATOM 258 CG GLN A 418 -14.101 10.266 3.734 1.00 70.54 C ATOM 259 CD GLN A 418 -12.914 9.525 4.322 1.00 71.14 C ATOM 260 OE1 GLN A 418 -13.053 8.721 5.228 1.00 3.34 O ATOM 261 NE2 GLN A 418 -11.739 9.798 3.806 1.00 1.35 N ATOM 0 H GLN A 418 -16.770 9.689 4.108 1.00 62.44 H new ATOM 0 HA GLN A 418 -16.051 8.006 1.895 1.00 10.10 H new ATOM 0 HB2 GLN A 418 -13.976 9.197 1.888 1.00 31.04 H new ATOM 0 HB3 GLN A 418 -15.332 10.302 1.988 1.00 31.04 H new ATOM 0 HG2 GLN A 418 -13.774 11.256 3.415 1.00 70.54 H new ATOM 0 HG3 GLN A 418 -14.846 10.413 4.516 1.00 70.54 H new ATOM 0 HE21 GLN A 418 -11.660 10.476 3.048 1.00 1.35 H new ATOM 0 HE22 GLN A 418 -10.905 9.332 4.162 1.00 1.35 H new ATOM 270 N SER A 419 -15.330 6.906 4.759 1.00 13.05 N ATOM 271 CA SER A 419 -14.846 5.722 5.439 1.00 52.32 C ATOM 272 C SER A 419 -15.813 4.551 5.201 1.00 12.33 C ATOM 273 O SER A 419 -15.524 3.408 5.544 1.00 34.52 O ATOM 274 CB SER A 419 -14.704 5.988 6.938 1.00 31.23 C ATOM 275 OG SER A 419 -13.797 7.061 7.196 1.00 70.22 O ATOM 0 H SER A 419 -15.924 7.506 5.331 1.00 13.05 H new ATOM 0 HA SER A 419 -13.866 5.464 5.038 1.00 52.32 H new ATOM 0 HB2 SER A 419 -15.680 6.226 7.360 1.00 31.23 H new ATOM 0 HB3 SER A 419 -14.352 5.085 7.437 1.00 31.23 H new ATOM 0 HG SER A 419 -13.427 7.387 6.349 1.00 70.22 H new ATOM 281 N GLY A 420 -16.976 4.867 4.627 1.00 41.22 N ATOM 282 CA GLY A 420 -18.016 3.877 4.380 1.00 13.11 C ATOM 283 C GLY A 420 -18.703 3.464 5.658 1.00 30.12 C ATOM 284 O GLY A 420 -19.478 2.514 5.682 1.00 11.40 O ATOM 0 H GLY A 420 -17.218 5.810 4.324 1.00 41.22 H new ATOM 0 HA2 GLY A 420 -18.751 4.286 3.687 1.00 13.11 H new ATOM 0 HA3 GLY A 420 -17.579 3.001 3.901 1.00 13.11 H new ATOM 288 N ALA A 421 -18.456 4.226 6.706 1.00 41.12 N ATOM 289 CA ALA A 421 -18.972 3.937 8.025 1.00 70.45 C ATOM 290 C ALA A 421 -20.453 4.236 8.113 1.00 4.23 C ATOM 291 O ALA A 421 -21.168 3.650 8.916 1.00 0.34 O ATOM 292 CB ALA A 421 -18.201 4.727 9.068 1.00 13.42 C ATOM 0 H ALA A 421 -17.886 5.071 6.663 1.00 41.12 H new ATOM 0 HA ALA A 421 -18.840 2.873 8.219 1.00 70.45 H new ATOM 0 HB1 ALA A 421 -18.596 4.504 10.059 1.00 13.42 H new ATOM 0 HB2 ALA A 421 -17.147 4.452 9.027 1.00 13.42 H new ATOM 0 HB3 ALA A 421 -18.306 5.793 8.868 1.00 13.42 H new ATOM 298 N MET A 422 -20.916 5.129 7.262 1.00 74.22 N ATOM 299 CA MET A 422 -22.316 5.537 7.275 1.00 50.32 C ATOM 300 C MET A 422 -23.205 4.482 6.606 1.00 41.54 C ATOM 301 O MET A 422 -24.423 4.550 6.685 1.00 2.33 O ATOM 302 CB MET A 422 -22.475 6.899 6.559 1.00 13.44 C ATOM 303 CG MET A 422 -23.882 7.494 6.636 1.00 21.35 C ATOM 304 SD MET A 422 -24.029 9.082 5.797 1.00 14.01 S ATOM 305 CE MET A 422 -25.751 9.457 6.116 1.00 62.14 C ATOM 0 H MET A 422 -20.348 5.589 6.551 1.00 74.22 H new ATOM 0 HA MET A 422 -22.633 5.637 8.313 1.00 50.32 H new ATOM 0 HB2 MET A 422 -21.770 7.608 6.993 1.00 13.44 H new ATOM 0 HB3 MET A 422 -22.202 6.779 5.511 1.00 13.44 H new ATOM 0 HG2 MET A 422 -24.591 6.792 6.197 1.00 21.35 H new ATOM 0 HG3 MET A 422 -24.161 7.616 7.683 1.00 21.35 H new ATOM 0 HE1 MET A 422 -26.005 10.414 5.661 1.00 62.14 H new ATOM 0 HE2 MET A 422 -26.379 8.674 5.690 1.00 62.14 H new ATOM 0 HE3 MET A 422 -25.918 9.511 7.192 1.00 62.14 H new ATOM 315 N GLY A 423 -22.586 3.491 5.974 1.00 25.41 N ATOM 316 CA GLY A 423 -23.353 2.481 5.268 1.00 32.54 C ATOM 317 C GLY A 423 -23.995 3.064 4.034 1.00 41.41 C ATOM 318 O GLY A 423 -25.026 2.584 3.551 1.00 54.03 O ATOM 0 H GLY A 423 -21.574 3.369 5.938 1.00 25.41 H new ATOM 0 HA2 GLY A 423 -22.702 1.653 4.988 1.00 32.54 H new ATOM 0 HA3 GLY A 423 -24.121 2.075 5.926 1.00 32.54 H new ATOM 322 N GLY A 424 -23.388 4.099 3.534 1.00 43.30 N ATOM 323 CA GLY A 424 -23.877 4.774 2.388 1.00 60.10 C ATOM 324 C GLY A 424 -22.744 5.143 1.504 1.00 71.25 C ATOM 325 O GLY A 424 -21.583 5.101 1.945 1.00 31.12 O ATOM 0 H GLY A 424 -22.531 4.496 3.920 1.00 43.30 H new ATOM 0 HA2 GLY A 424 -24.578 4.136 1.850 1.00 60.10 H new ATOM 0 HA3 GLY A 424 -24.424 5.668 2.687 1.00 60.10 H new ATOM 329 N LYS A 425 -23.068 5.509 0.276 1.00 23.44 N ATOM 330 CA LYS A 425 -22.093 5.843 -0.761 1.00 32.21 C ATOM 331 C LYS A 425 -21.230 4.623 -1.091 1.00 74.23 C ATOM 332 O LYS A 425 -20.098 4.482 -0.600 1.00 55.32 O ATOM 333 CB LYS A 425 -21.232 7.076 -0.391 1.00 53.33 C ATOM 334 CG LYS A 425 -22.047 8.334 -0.098 1.00 30.22 C ATOM 335 CD LYS A 425 -22.830 8.805 -1.316 1.00 4.24 C ATOM 336 CE LYS A 425 -23.756 9.976 -0.980 1.00 50.31 C ATOM 337 NZ LYS A 425 -23.041 11.127 -0.372 1.00 71.00 N ATOM 0 H LYS A 425 -24.035 5.585 -0.040 1.00 23.44 H new ATOM 0 HA LYS A 425 -22.647 6.124 -1.657 1.00 32.21 H new ATOM 0 HB2 LYS A 425 -20.627 6.835 0.483 1.00 53.33 H new ATOM 0 HB3 LYS A 425 -20.542 7.284 -1.209 1.00 53.33 H new ATOM 0 HG2 LYS A 425 -22.737 8.136 0.722 1.00 30.22 H new ATOM 0 HG3 LYS A 425 -21.379 9.129 0.233 1.00 30.22 H new ATOM 0 HD2 LYS A 425 -22.135 9.105 -2.101 1.00 4.24 H new ATOM 0 HD3 LYS A 425 -23.419 7.978 -1.711 1.00 4.24 H new ATOM 0 HE2 LYS A 425 -24.258 10.307 -1.889 1.00 50.31 H new ATOM 0 HE3 LYS A 425 -24.531 9.634 -0.294 1.00 50.31 H new ATOM 0 HZ1 LYS A 425 -23.412 12.014 -0.768 1.00 71.00 H new ATOM 0 HZ2 LYS A 425 -23.185 11.120 0.658 1.00 71.00 H new ATOM 0 HZ3 LYS A 425 -22.025 11.054 -0.580 1.00 71.00 H new ATOM 351 N PRO A 426 -21.787 3.688 -1.884 1.00 63.11 N ATOM 352 CA PRO A 426 -21.100 2.469 -2.248 1.00 2.24 C ATOM 353 C PRO A 426 -20.120 2.707 -3.382 1.00 12.32 C ATOM 354 O PRO A 426 -20.005 3.837 -3.897 1.00 2.04 O ATOM 355 CB PRO A 426 -22.238 1.558 -2.710 1.00 12.51 C ATOM 356 CG PRO A 426 -23.247 2.486 -3.283 1.00 21.21 C ATOM 357 CD PRO A 426 -23.138 3.760 -2.489 1.00 13.32 C ATOM 0 HA PRO A 426 -20.511 2.054 -1.430 1.00 2.24 H new ATOM 0 HB2 PRO A 426 -21.894 0.838 -3.453 1.00 12.51 H new ATOM 0 HB3 PRO A 426 -22.651 0.986 -1.879 1.00 12.51 H new ATOM 0 HG2 PRO A 426 -23.054 2.668 -4.340 1.00 21.21 H new ATOM 0 HG3 PRO A 426 -24.250 2.065 -3.210 1.00 21.21 H new ATOM 0 HD2 PRO A 426 -23.244 4.638 -3.126 1.00 13.32 H new ATOM 0 HD3 PRO A 426 -23.914 3.823 -1.727 1.00 13.32 H new ATOM 365 N LEU A 427 -19.438 1.651 -3.794 1.00 63.32 N ATOM 366 CA LEU A 427 -18.459 1.731 -4.862 1.00 54.11 C ATOM 367 C LEU A 427 -19.051 2.267 -6.155 1.00 31.13 C ATOM 368 O LEU A 427 -18.358 2.898 -6.944 1.00 13.41 O ATOM 369 CB LEU A 427 -17.694 0.388 -5.049 1.00 3.34 C ATOM 370 CG LEU A 427 -18.507 -0.931 -5.258 1.00 54.10 C ATOM 371 CD1 LEU A 427 -19.274 -0.964 -6.576 1.00 45.13 C ATOM 372 CD2 LEU A 427 -17.594 -2.144 -5.148 1.00 73.44 C ATOM 0 H LEU A 427 -19.548 0.717 -3.398 1.00 63.32 H new ATOM 0 HA LEU A 427 -17.714 2.466 -4.557 1.00 54.11 H new ATOM 0 HB2 LEU A 427 -17.032 0.504 -5.907 1.00 3.34 H new ATOM 0 HB3 LEU A 427 -17.060 0.247 -4.174 1.00 3.34 H new ATOM 0 HG LEU A 427 -19.252 -0.961 -4.463 1.00 54.10 H new ATOM 0 HD11 LEU A 427 -19.816 -1.906 -6.658 1.00 45.13 H new ATOM 0 HD12 LEU A 427 -19.981 -0.135 -6.607 1.00 45.13 H new ATOM 0 HD13 LEU A 427 -18.574 -0.875 -7.407 1.00 45.13 H new ATOM 0 HD21 LEU A 427 -18.177 -3.053 -5.296 1.00 73.44 H new ATOM 0 HD22 LEU A 427 -16.816 -2.084 -5.909 1.00 73.44 H new ATOM 0 HD23 LEU A 427 -17.134 -2.165 -4.160 1.00 73.44 H new ATOM 384 N SER A 428 -20.341 2.046 -6.329 1.00 2.44 N ATOM 385 CA SER A 428 -21.077 2.499 -7.479 1.00 41.24 C ATOM 386 C SER A 428 -20.994 4.034 -7.597 1.00 55.22 C ATOM 387 O SER A 428 -20.838 4.574 -8.687 1.00 72.14 O ATOM 388 CB SER A 428 -22.521 2.050 -7.310 1.00 42.44 C ATOM 389 OG SER A 428 -22.560 0.667 -6.966 1.00 11.34 O ATOM 0 H SER A 428 -20.912 1.535 -5.656 1.00 2.44 H new ATOM 0 HA SER A 428 -20.657 2.077 -8.392 1.00 41.24 H new ATOM 0 HB2 SER A 428 -23.007 2.641 -6.534 1.00 42.44 H new ATOM 0 HB3 SER A 428 -23.075 2.220 -8.233 1.00 42.44 H new ATOM 0 HG SER A 428 -23.492 0.383 -6.857 1.00 11.34 H new ATOM 395 N THR A 429 -21.031 4.719 -6.456 1.00 34.12 N ATOM 396 CA THR A 429 -20.986 6.166 -6.441 1.00 3.53 C ATOM 397 C THR A 429 -19.596 6.631 -6.877 1.00 40.43 C ATOM 398 O THR A 429 -19.444 7.572 -7.677 1.00 42.11 O ATOM 399 CB THR A 429 -21.310 6.712 -5.023 1.00 22.21 C ATOM 400 OG1 THR A 429 -22.593 6.214 -4.602 1.00 21.21 O ATOM 401 CG2 THR A 429 -21.345 8.238 -5.017 1.00 74.14 C ATOM 0 H THR A 429 -21.092 4.288 -5.533 1.00 34.12 H new ATOM 0 HA THR A 429 -21.736 6.551 -7.132 1.00 3.53 H new ATOM 0 HB THR A 429 -20.529 6.377 -4.341 1.00 22.21 H new ATOM 0 HG1 THR A 429 -22.871 6.677 -3.784 1.00 21.21 H new ATOM 0 HG21 THR A 429 -21.574 8.593 -4.012 1.00 74.14 H new ATOM 0 HG22 THR A 429 -20.374 8.625 -5.326 1.00 74.14 H new ATOM 0 HG23 THR A 429 -22.112 8.587 -5.708 1.00 74.14 H new ATOM 409 N PHE A 430 -18.594 5.938 -6.384 1.00 52.12 N ATOM 410 CA PHE A 430 -17.236 6.270 -6.683 1.00 53.45 C ATOM 411 C PHE A 430 -16.862 5.958 -8.116 1.00 31.54 C ATOM 412 O PHE A 430 -16.257 6.780 -8.757 1.00 53.44 O ATOM 413 CB PHE A 430 -16.281 5.659 -5.670 1.00 24.03 C ATOM 414 CG PHE A 430 -16.523 6.216 -4.301 1.00 2.34 C ATOM 415 CD1 PHE A 430 -15.891 7.379 -3.896 1.00 0.41 C ATOM 416 CD2 PHE A 430 -17.404 5.602 -3.435 1.00 25.21 C ATOM 417 CE1 PHE A 430 -16.134 7.915 -2.651 1.00 71.44 C ATOM 418 CE2 PHE A 430 -17.649 6.127 -2.191 1.00 35.54 C ATOM 419 CZ PHE A 430 -17.016 7.289 -1.795 1.00 74.40 C ATOM 0 H PHE A 430 -18.706 5.133 -5.768 1.00 52.12 H new ATOM 0 HA PHE A 430 -17.140 7.352 -6.591 1.00 53.45 H new ATOM 0 HB2 PHE A 430 -16.406 4.576 -5.653 1.00 24.03 H new ATOM 0 HB3 PHE A 430 -15.252 5.856 -5.970 1.00 24.03 H new ATOM 0 HD1 PHE A 430 -15.200 7.871 -4.564 1.00 0.41 H new ATOM 0 HD2 PHE A 430 -17.907 4.696 -3.740 1.00 25.21 H new ATOM 0 HE1 PHE A 430 -15.635 8.823 -2.346 1.00 71.44 H new ATOM 0 HE2 PHE A 430 -18.337 5.632 -1.522 1.00 35.54 H new ATOM 0 HZ PHE A 430 -17.211 7.706 -0.818 1.00 74.40 H new ATOM 429 N TYR A 431 -17.258 4.795 -8.632 1.00 13.41 N ATOM 430 CA TYR A 431 -16.959 4.450 -10.034 1.00 24.14 C ATOM 431 C TYR A 431 -17.587 5.422 -11.026 1.00 0.31 C ATOM 432 O TYR A 431 -17.012 5.693 -12.087 1.00 25.22 O ATOM 433 CB TYR A 431 -17.311 3.002 -10.403 1.00 23.01 C ATOM 434 CG TYR A 431 -16.416 1.952 -9.784 1.00 24.11 C ATOM 435 CD1 TYR A 431 -15.067 1.887 -10.114 1.00 3.44 C ATOM 436 CD2 TYR A 431 -16.918 1.011 -8.905 1.00 63.42 C ATOM 437 CE1 TYR A 431 -14.248 0.915 -9.576 1.00 72.44 C ATOM 438 CE2 TYR A 431 -16.104 0.039 -8.360 1.00 23.52 C ATOM 439 CZ TYR A 431 -14.773 -0.006 -8.699 1.00 25.25 C ATOM 440 OH TYR A 431 -13.970 -0.986 -8.165 1.00 40.44 O ATOM 0 H TYR A 431 -17.777 4.084 -8.117 1.00 13.41 H new ATOM 0 HA TYR A 431 -15.876 4.542 -10.111 1.00 24.14 H new ATOM 0 HB2 TYR A 431 -18.340 2.805 -10.101 1.00 23.01 H new ATOM 0 HB3 TYR A 431 -17.272 2.899 -11.487 1.00 23.01 H new ATOM 0 HD1 TYR A 431 -14.653 2.609 -10.803 1.00 3.44 H new ATOM 0 HD2 TYR A 431 -17.965 1.037 -8.640 1.00 63.42 H new ATOM 0 HE1 TYR A 431 -13.202 0.878 -9.842 1.00 72.44 H new ATOM 0 HE2 TYR A 431 -16.512 -0.684 -7.669 1.00 23.52 H new ATOM 0 HH TYR A 431 -14.499 -1.551 -7.565 1.00 40.44 H new ATOM 450 N THR A 432 -18.754 5.947 -10.691 1.00 10.43 N ATOM 451 CA THR A 432 -19.415 6.904 -11.554 1.00 33.23 C ATOM 452 C THR A 432 -18.567 8.191 -11.683 1.00 31.41 C ATOM 453 O THR A 432 -18.259 8.632 -12.789 1.00 45.55 O ATOM 454 CB THR A 432 -20.835 7.243 -11.031 1.00 15.34 C ATOM 455 OG1 THR A 432 -21.611 6.032 -10.930 1.00 41.22 O ATOM 456 CG2 THR A 432 -21.554 8.209 -11.965 1.00 33.02 C ATOM 0 H THR A 432 -19.258 5.727 -9.832 1.00 10.43 H new ATOM 0 HA THR A 432 -19.518 6.451 -12.540 1.00 33.23 H new ATOM 0 HB THR A 432 -20.730 7.714 -10.054 1.00 15.34 H new ATOM 0 HG1 THR A 432 -21.329 5.528 -10.139 1.00 41.22 H new ATOM 0 HG21 THR A 432 -22.546 8.426 -11.570 1.00 33.02 H new ATOM 0 HG22 THR A 432 -20.983 9.134 -12.041 1.00 33.02 H new ATOM 0 HG23 THR A 432 -21.648 7.758 -12.953 1.00 33.02 H new ATOM 464 N GLN A 433 -18.167 8.755 -10.549 1.00 34.41 N ATOM 465 CA GLN A 433 -17.379 9.990 -10.541 1.00 74.21 C ATOM 466 C GLN A 433 -15.934 9.735 -11.014 1.00 31.12 C ATOM 467 O GLN A 433 -15.281 10.611 -11.583 1.00 22.31 O ATOM 468 CB GLN A 433 -17.385 10.647 -9.152 1.00 31.33 C ATOM 469 CG GLN A 433 -16.595 9.900 -8.098 1.00 24.32 C ATOM 470 CD GLN A 433 -16.678 10.545 -6.730 1.00 55.41 C ATOM 471 OE1 GLN A 433 -17.680 11.163 -6.386 1.00 3.43 O ATOM 472 NE2 GLN A 433 -15.635 10.415 -5.948 1.00 40.11 N ATOM 0 H GLN A 433 -18.373 8.380 -9.623 1.00 34.41 H new ATOM 0 HA GLN A 433 -17.848 10.679 -11.243 1.00 74.21 H new ATOM 0 HB2 GLN A 433 -16.984 11.657 -9.240 1.00 31.33 H new ATOM 0 HB3 GLN A 433 -18.417 10.742 -8.814 1.00 31.33 H new ATOM 0 HG2 GLN A 433 -16.963 8.876 -8.034 1.00 24.32 H new ATOM 0 HG3 GLN A 433 -15.551 9.845 -8.405 1.00 24.32 H new ATOM 0 HE21 GLN A 433 -14.819 9.894 -6.269 1.00 40.11 H new ATOM 0 HE22 GLN A 433 -15.639 10.835 -5.019 1.00 40.11 H new ATOM 481 N LEU A 434 -15.461 8.531 -10.765 1.00 2.21 N ATOM 482 CA LEU A 434 -14.087 8.129 -11.016 1.00 0.34 C ATOM 483 C LEU A 434 -13.654 8.329 -12.459 1.00 61.32 C ATOM 484 O LEU A 434 -12.573 8.849 -12.700 1.00 42.41 O ATOM 485 CB LEU A 434 -13.869 6.671 -10.501 1.00 52.03 C ATOM 486 CG LEU A 434 -12.482 6.001 -10.615 1.00 22.51 C ATOM 487 CD1 LEU A 434 -12.450 4.788 -9.701 1.00 4.55 C ATOM 488 CD2 LEU A 434 -12.215 5.524 -12.037 1.00 50.04 C ATOM 0 H LEU A 434 -16.034 7.784 -10.372 1.00 2.21 H new ATOM 0 HA LEU A 434 -13.430 8.792 -10.452 1.00 0.34 H new ATOM 0 HB2 LEU A 434 -14.148 6.656 -9.447 1.00 52.03 H new ATOM 0 HB3 LEU A 434 -14.579 6.034 -11.028 1.00 52.03 H new ATOM 0 HG LEU A 434 -11.724 6.733 -10.336 1.00 22.51 H new ATOM 0 HD11 LEU A 434 -11.475 4.305 -9.772 1.00 4.55 H new ATOM 0 HD12 LEU A 434 -12.625 5.103 -8.672 1.00 4.55 H new ATOM 0 HD13 LEU A 434 -13.226 4.085 -10.002 1.00 4.55 H new ATOM 0 HD21 LEU A 434 -11.231 5.057 -12.085 1.00 50.04 H new ATOM 0 HD22 LEU A 434 -12.976 4.799 -12.326 1.00 50.04 H new ATOM 0 HD23 LEU A 434 -12.247 6.374 -12.718 1.00 50.04 H new ATOM 500 N VAL A 435 -14.512 7.970 -13.404 1.00 1.35 N ATOM 501 CA VAL A 435 -14.161 8.042 -14.833 1.00 44.24 C ATOM 502 C VAL A 435 -13.773 9.462 -15.299 1.00 54.21 C ATOM 503 O VAL A 435 -13.026 9.623 -16.267 1.00 31.10 O ATOM 504 CB VAL A 435 -15.271 7.461 -15.756 1.00 64.14 C ATOM 505 CG1 VAL A 435 -15.506 5.991 -15.449 1.00 71.12 C ATOM 506 CG2 VAL A 435 -16.571 8.248 -15.632 1.00 5.32 C ATOM 0 H VAL A 435 -15.454 7.626 -13.218 1.00 1.35 H new ATOM 0 HA VAL A 435 -13.276 7.413 -14.928 1.00 44.24 H new ATOM 0 HB VAL A 435 -14.926 7.552 -16.786 1.00 64.14 H new ATOM 0 HG11 VAL A 435 -16.285 5.603 -16.104 1.00 71.12 H new ATOM 0 HG12 VAL A 435 -14.584 5.433 -15.612 1.00 71.12 H new ATOM 0 HG13 VAL A 435 -15.818 5.882 -14.410 1.00 71.12 H new ATOM 0 HG21 VAL A 435 -17.323 7.814 -16.291 1.00 5.32 H new ATOM 0 HG22 VAL A 435 -16.924 8.207 -14.602 1.00 5.32 H new ATOM 0 HG23 VAL A 435 -16.396 9.286 -15.915 1.00 5.32 H new ATOM 516 N LEU A 436 -14.254 10.472 -14.606 1.00 43.14 N ATOM 517 CA LEU A 436 -13.950 11.836 -14.973 1.00 63.31 C ATOM 518 C LEU A 436 -12.879 12.466 -14.091 1.00 22.01 C ATOM 519 O LEU A 436 -12.259 13.450 -14.487 1.00 73.33 O ATOM 520 CB LEU A 436 -15.198 12.747 -15.008 1.00 3.42 C ATOM 521 CG LEU A 436 -16.133 12.732 -13.779 1.00 14.52 C ATOM 522 CD1 LEU A 436 -16.868 14.050 -13.681 1.00 41.34 C ATOM 523 CD2 LEU A 436 -17.172 11.628 -13.947 1.00 54.20 C ATOM 0 H LEU A 436 -14.855 10.374 -13.788 1.00 43.14 H new ATOM 0 HA LEU A 436 -13.556 11.762 -15.987 1.00 63.31 H new ATOM 0 HB2 LEU A 436 -14.861 13.772 -15.160 1.00 3.42 H new ATOM 0 HB3 LEU A 436 -15.789 12.473 -15.882 1.00 3.42 H new ATOM 0 HG LEU A 436 -15.535 12.564 -12.883 1.00 14.52 H new ATOM 0 HD11 LEU A 436 -17.527 14.036 -12.813 1.00 41.34 H new ATOM 0 HD12 LEU A 436 -16.148 14.861 -13.577 1.00 41.34 H new ATOM 0 HD13 LEU A 436 -17.460 14.204 -14.583 1.00 41.34 H new ATOM 0 HD21 LEU A 436 -17.833 11.616 -13.080 1.00 54.20 H new ATOM 0 HD22 LEU A 436 -17.758 11.813 -14.848 1.00 54.20 H new ATOM 0 HD23 LEU A 436 -16.669 10.665 -14.033 1.00 54.20 H new ATOM 535 N MET A 437 -12.647 11.916 -12.932 1.00 21.52 N ATOM 536 CA MET A 437 -11.735 12.541 -11.982 1.00 63.33 C ATOM 537 C MET A 437 -10.334 11.940 -12.032 1.00 13.25 C ATOM 538 O MET A 437 -10.132 10.788 -11.647 1.00 33.42 O ATOM 539 CB MET A 437 -12.315 12.484 -10.585 1.00 51.20 C ATOM 540 CG MET A 437 -13.639 13.194 -10.481 1.00 31.20 C ATOM 541 SD MET A 437 -14.373 13.078 -8.857 1.00 24.15 S ATOM 542 CE MET A 437 -15.902 13.947 -9.164 1.00 3.02 C ATOM 0 H MET A 437 -13.067 11.043 -12.613 1.00 21.52 H new ATOM 0 HA MET A 437 -11.625 13.586 -12.272 1.00 63.33 H new ATOM 0 HB2 MET A 437 -12.441 11.442 -10.289 1.00 51.20 H new ATOM 0 HB3 MET A 437 -11.610 12.931 -9.884 1.00 51.20 H new ATOM 0 HG2 MET A 437 -13.502 14.245 -10.736 1.00 31.20 H new ATOM 0 HG3 MET A 437 -14.327 12.775 -11.215 1.00 31.20 H new ATOM 0 HE1 MET A 437 -16.643 13.653 -8.421 1.00 3.02 H new ATOM 0 HE2 MET A 437 -15.729 15.021 -9.099 1.00 3.02 H new ATOM 0 HE3 MET A 437 -16.268 13.698 -10.160 1.00 3.02 H new ATOM 552 N PRO A 438 -9.340 12.730 -12.494 1.00 41.13 N ATOM 553 CA PRO A 438 -7.950 12.267 -12.660 1.00 20.34 C ATOM 554 C PRO A 438 -7.329 11.684 -11.386 1.00 0.45 C ATOM 555 O PRO A 438 -6.653 10.657 -11.441 1.00 13.42 O ATOM 556 CB PRO A 438 -7.197 13.530 -13.080 1.00 33.44 C ATOM 557 CG PRO A 438 -8.233 14.416 -13.668 1.00 1.22 C ATOM 558 CD PRO A 438 -9.495 14.141 -12.911 1.00 40.02 C ATOM 0 HA PRO A 438 -7.901 11.450 -13.380 1.00 20.34 H new ATOM 0 HB2 PRO A 438 -6.712 14.003 -12.226 1.00 33.44 H new ATOM 0 HB3 PRO A 438 -6.415 13.301 -13.805 1.00 33.44 H new ATOM 0 HG2 PRO A 438 -7.946 15.464 -13.579 1.00 1.22 H new ATOM 0 HG3 PRO A 438 -8.364 14.211 -14.731 1.00 1.22 H new ATOM 0 HD2 PRO A 438 -9.602 14.805 -12.053 1.00 40.02 H new ATOM 0 HD3 PRO A 438 -10.377 14.282 -13.535 1.00 40.02 H new ATOM 566 N GLN A 439 -7.579 12.323 -10.238 1.00 21.32 N ATOM 567 CA GLN A 439 -7.001 11.875 -8.963 1.00 33.51 C ATOM 568 C GLN A 439 -7.348 10.425 -8.639 1.00 14.42 C ATOM 569 O GLN A 439 -6.474 9.631 -8.294 1.00 33.31 O ATOM 570 CB GLN A 439 -7.384 12.800 -7.795 1.00 42.40 C ATOM 571 CG GLN A 439 -8.882 12.970 -7.555 1.00 35.15 C ATOM 572 CD GLN A 439 -9.176 13.809 -6.330 1.00 53.42 C ATOM 573 OE1 GLN A 439 -8.398 14.685 -5.960 1.00 4.12 O ATOM 574 NE2 GLN A 439 -10.292 13.560 -5.704 1.00 4.23 N ATOM 0 H GLN A 439 -8.174 13.148 -10.164 1.00 21.32 H new ATOM 0 HA GLN A 439 -5.920 11.930 -9.092 1.00 33.51 H new ATOM 0 HB2 GLN A 439 -6.929 12.412 -6.883 1.00 42.40 H new ATOM 0 HB3 GLN A 439 -6.949 13.783 -7.975 1.00 42.40 H new ATOM 0 HG2 GLN A 439 -9.337 13.435 -8.429 1.00 35.15 H new ATOM 0 HG3 GLN A 439 -9.343 11.989 -7.440 1.00 35.15 H new ATOM 0 HE21 GLN A 439 -10.913 12.824 -6.041 1.00 4.23 H new ATOM 0 HE22 GLN A 439 -10.544 14.101 -4.877 1.00 4.23 H new ATOM 583 N VAL A 440 -8.601 10.076 -8.800 1.00 34.40 N ATOM 584 CA VAL A 440 -9.058 8.745 -8.496 1.00 53.11 C ATOM 585 C VAL A 440 -8.642 7.729 -9.537 1.00 70.02 C ATOM 586 O VAL A 440 -8.477 6.568 -9.217 1.00 51.43 O ATOM 587 CB VAL A 440 -10.555 8.643 -8.117 1.00 60.43 C ATOM 588 CG1 VAL A 440 -10.798 9.308 -6.772 1.00 55.11 C ATOM 589 CG2 VAL A 440 -11.418 9.297 -9.159 1.00 75.50 C ATOM 0 H VAL A 440 -9.328 10.704 -9.144 1.00 34.40 H new ATOM 0 HA VAL A 440 -8.532 8.483 -7.578 1.00 53.11 H new ATOM 0 HB VAL A 440 -10.817 7.587 -8.057 1.00 60.43 H new ATOM 0 HG11 VAL A 440 -11.854 9.231 -6.514 1.00 55.11 H new ATOM 0 HG12 VAL A 440 -10.200 8.812 -6.007 1.00 55.11 H new ATOM 0 HG13 VAL A 440 -10.514 10.359 -6.829 1.00 55.11 H new ATOM 0 HG21 VAL A 440 -12.465 9.212 -8.870 1.00 75.50 H new ATOM 0 HG22 VAL A 440 -11.150 10.350 -9.245 1.00 75.50 H new ATOM 0 HG23 VAL A 440 -11.266 8.804 -10.119 1.00 75.50 H new ATOM 599 N LEU A 441 -8.474 8.173 -10.785 1.00 4.31 N ATOM 600 CA LEU A 441 -7.970 7.297 -11.858 1.00 71.14 C ATOM 601 C LEU A 441 -6.619 6.684 -11.474 1.00 24.04 C ATOM 602 O LEU A 441 -6.317 5.541 -11.842 1.00 10.52 O ATOM 603 CB LEU A 441 -7.841 8.050 -13.191 1.00 41.14 C ATOM 604 CG LEU A 441 -9.135 8.558 -13.833 1.00 33.02 C ATOM 605 CD1 LEU A 441 -8.819 9.341 -15.090 1.00 43.25 C ATOM 606 CD2 LEU A 441 -10.041 7.396 -14.179 1.00 22.20 C ATOM 0 H LEU A 441 -8.677 9.128 -11.081 1.00 4.31 H new ATOM 0 HA LEU A 441 -8.699 6.497 -11.988 1.00 71.14 H new ATOM 0 HB2 LEU A 441 -7.183 8.905 -13.034 1.00 41.14 H new ATOM 0 HB3 LEU A 441 -7.345 7.392 -13.905 1.00 41.14 H new ATOM 0 HG LEU A 441 -9.643 9.208 -13.120 1.00 33.02 H new ATOM 0 HD11 LEU A 441 -9.746 9.698 -15.539 1.00 43.25 H new ATOM 0 HD12 LEU A 441 -8.186 10.192 -14.839 1.00 43.25 H new ATOM 0 HD13 LEU A 441 -8.297 8.697 -15.798 1.00 43.25 H new ATOM 0 HD21 LEU A 441 -10.957 7.772 -14.635 1.00 22.20 H new ATOM 0 HD22 LEU A 441 -9.532 6.734 -14.880 1.00 22.20 H new ATOM 0 HD23 LEU A 441 -10.287 6.844 -13.272 1.00 22.20 H new ATOM 618 N HIS A 442 -5.817 7.433 -10.728 1.00 5.51 N ATOM 619 CA HIS A 442 -4.542 6.914 -10.243 1.00 34.24 C ATOM 620 C HIS A 442 -4.788 5.811 -9.229 1.00 1.14 C ATOM 621 O HIS A 442 -4.187 4.742 -9.300 1.00 52.21 O ATOM 622 CB HIS A 442 -3.650 8.011 -9.635 1.00 51.23 C ATOM 623 CG HIS A 442 -3.183 9.059 -10.608 1.00 2.24 C ATOM 624 ND1 HIS A 442 -2.055 8.921 -11.379 1.00 35.34 N ATOM 625 CD2 HIS A 442 -3.693 10.269 -10.920 1.00 63.32 C ATOM 626 CE1 HIS A 442 -1.892 9.994 -12.121 1.00 3.41 C ATOM 627 NE2 HIS A 442 -2.874 10.829 -11.861 1.00 31.23 N ATOM 0 H HIS A 442 -6.022 8.392 -10.447 1.00 5.51 H new ATOM 0 HA HIS A 442 -4.006 6.512 -11.102 1.00 34.24 H new ATOM 0 HB2 HIS A 442 -4.199 8.501 -8.831 1.00 51.23 H new ATOM 0 HB3 HIS A 442 -2.777 7.540 -9.184 1.00 51.23 H new ATOM 0 HD2 HIS A 442 -4.585 10.713 -10.503 1.00 63.32 H new ATOM 0 HE1 HIS A 442 -1.089 10.161 -12.824 1.00 3.41 H new ATOM 0 HE2 HIS A 442 -3.004 11.745 -12.291 1.00 31.23 H new ATOM 636 N TYR A 443 -5.719 6.063 -8.317 1.00 1.24 N ATOM 637 CA TYR A 443 -6.097 5.095 -7.295 1.00 4.20 C ATOM 638 C TYR A 443 -6.733 3.868 -7.894 1.00 3.03 C ATOM 639 O TYR A 443 -6.535 2.773 -7.414 1.00 65.21 O ATOM 640 CB TYR A 443 -7.010 5.720 -6.245 1.00 21.14 C ATOM 641 CG TYR A 443 -6.301 6.690 -5.330 1.00 53.13 C ATOM 642 CD1 TYR A 443 -6.262 8.047 -5.603 1.00 63.14 C ATOM 643 CD2 TYR A 443 -5.656 6.232 -4.192 1.00 14.31 C ATOM 644 CE1 TYR A 443 -5.599 8.922 -4.764 1.00 31.14 C ATOM 645 CE2 TYR A 443 -4.995 7.095 -3.350 1.00 14.31 C ATOM 646 CZ TYR A 443 -4.968 8.439 -3.640 1.00 25.12 C ATOM 647 OH TYR A 443 -4.299 9.302 -2.800 1.00 20.02 O ATOM 0 H TYR A 443 -6.232 6.943 -8.265 1.00 1.24 H new ATOM 0 HA TYR A 443 -5.178 4.782 -6.800 1.00 4.20 H new ATOM 0 HB2 TYR A 443 -7.827 6.238 -6.747 1.00 21.14 H new ATOM 0 HB3 TYR A 443 -7.456 4.927 -5.645 1.00 21.14 H new ATOM 0 HD1 TYR A 443 -6.757 8.427 -6.484 1.00 63.14 H new ATOM 0 HD2 TYR A 443 -5.673 5.177 -3.962 1.00 14.31 H new ATOM 0 HE1 TYR A 443 -5.576 9.978 -4.989 1.00 31.14 H new ATOM 0 HE2 TYR A 443 -4.500 6.720 -2.466 1.00 14.31 H new ATOM 0 HH TYR A 443 -3.911 8.798 -2.054 1.00 20.02 H new ATOM 657 N ALA A 444 -7.466 4.066 -8.966 1.00 15.35 N ATOM 658 CA ALA A 444 -8.148 2.990 -9.678 1.00 65.42 C ATOM 659 C ALA A 444 -7.152 1.967 -10.171 1.00 65.44 C ATOM 660 O ALA A 444 -7.385 0.772 -10.083 1.00 34.12 O ATOM 661 CB ALA A 444 -8.948 3.543 -10.842 1.00 34.23 C ATOM 0 H ALA A 444 -7.612 4.987 -9.379 1.00 15.35 H new ATOM 0 HA ALA A 444 -8.834 2.504 -8.984 1.00 65.42 H new ATOM 0 HB1 ALA A 444 -9.449 2.725 -11.360 1.00 34.23 H new ATOM 0 HB2 ALA A 444 -9.692 4.247 -10.470 1.00 34.23 H new ATOM 0 HB3 ALA A 444 -8.278 4.054 -11.533 1.00 34.23 H new ATOM 667 N GLN A 445 -6.028 2.451 -10.658 1.00 51.24 N ATOM 668 CA GLN A 445 -4.974 1.588 -11.146 1.00 21.43 C ATOM 669 C GLN A 445 -4.324 0.819 -9.998 1.00 64.32 C ATOM 670 O GLN A 445 -3.859 -0.302 -10.177 1.00 31.15 O ATOM 671 CB GLN A 445 -3.959 2.398 -11.947 1.00 64.21 C ATOM 672 CG GLN A 445 -4.566 3.018 -13.199 1.00 2.00 C ATOM 673 CD GLN A 445 -3.600 3.873 -13.976 1.00 12.52 C ATOM 674 OE1 GLN A 445 -2.888 3.386 -14.853 1.00 12.14 O ATOM 675 NE2 GLN A 445 -3.585 5.150 -13.687 1.00 11.21 N ATOM 0 H GLN A 445 -5.821 3.447 -10.726 1.00 51.24 H new ATOM 0 HA GLN A 445 -5.406 0.846 -11.817 1.00 21.43 H new ATOM 0 HB2 GLN A 445 -3.550 3.187 -11.316 1.00 64.21 H new ATOM 0 HB3 GLN A 445 -3.127 1.753 -12.231 1.00 64.21 H new ATOM 0 HG2 GLN A 445 -4.936 2.222 -13.846 1.00 2.00 H new ATOM 0 HG3 GLN A 445 -5.427 3.623 -12.914 1.00 2.00 H new ATOM 0 HE21 GLN A 445 -4.192 5.514 -12.952 1.00 11.21 H new ATOM 0 HE22 GLN A 445 -2.967 5.781 -14.197 1.00 11.21 H new ATOM 684 N TYR A 446 -4.310 1.428 -8.824 1.00 22.12 N ATOM 685 CA TYR A 446 -3.817 0.775 -7.619 1.00 2.21 C ATOM 686 C TYR A 446 -4.818 -0.262 -7.091 1.00 13.03 C ATOM 687 O TYR A 446 -4.440 -1.356 -6.672 1.00 75.34 O ATOM 688 CB TYR A 446 -3.481 1.794 -6.525 1.00 53.43 C ATOM 689 CG TYR A 446 -2.278 2.660 -6.819 1.00 33.42 C ATOM 690 CD1 TYR A 446 -1.027 2.090 -7.027 1.00 25.24 C ATOM 691 CD2 TYR A 446 -2.378 4.040 -6.865 1.00 11.22 C ATOM 692 CE1 TYR A 446 0.079 2.874 -7.273 1.00 44.42 C ATOM 693 CE2 TYR A 446 -1.279 4.829 -7.114 1.00 52.44 C ATOM 694 CZ TYR A 446 -0.055 4.242 -7.319 1.00 65.14 C ATOM 695 OH TYR A 446 1.051 5.033 -7.565 1.00 3.45 O ATOM 0 H TYR A 446 -4.637 2.383 -8.678 1.00 22.12 H new ATOM 0 HA TYR A 446 -2.900 0.254 -7.893 1.00 2.21 H new ATOM 0 HB2 TYR A 446 -4.346 2.438 -6.369 1.00 53.43 H new ATOM 0 HB3 TYR A 446 -3.308 1.260 -5.590 1.00 53.43 H new ATOM 0 HD1 TYR A 446 -0.921 1.016 -6.995 1.00 25.24 H new ATOM 0 HD2 TYR A 446 -3.338 4.507 -6.702 1.00 11.22 H new ATOM 0 HE1 TYR A 446 1.045 2.417 -7.429 1.00 44.42 H new ATOM 0 HE2 TYR A 446 -1.378 5.904 -7.148 1.00 52.44 H new ATOM 0 HH TYR A 446 0.785 5.976 -7.566 1.00 3.45 H new ATOM 705 N VAL A 447 -6.091 0.091 -7.115 1.00 34.53 N ATOM 706 CA VAL A 447 -7.162 -0.804 -6.663 1.00 63.31 C ATOM 707 C VAL A 447 -7.293 -2.000 -7.609 1.00 22.22 C ATOM 708 O VAL A 447 -7.623 -3.113 -7.185 1.00 45.11 O ATOM 709 CB VAL A 447 -8.531 -0.055 -6.538 1.00 44.21 C ATOM 710 CG1 VAL A 447 -9.647 -1.004 -6.106 1.00 74.53 C ATOM 711 CG2 VAL A 447 -8.420 1.094 -5.545 1.00 11.53 C ATOM 0 H VAL A 447 -6.419 0.999 -7.445 1.00 34.53 H new ATOM 0 HA VAL A 447 -6.892 -1.164 -5.670 1.00 63.31 H new ATOM 0 HB VAL A 447 -8.780 0.342 -7.522 1.00 44.21 H new ATOM 0 HG11 VAL A 447 -10.584 -0.452 -6.029 1.00 74.53 H new ATOM 0 HG12 VAL A 447 -9.754 -1.799 -6.843 1.00 74.53 H new ATOM 0 HG13 VAL A 447 -9.401 -1.438 -5.137 1.00 74.53 H new ATOM 0 HG21 VAL A 447 -9.380 1.604 -5.470 1.00 11.53 H new ATOM 0 HG22 VAL A 447 -8.139 0.704 -4.567 1.00 11.53 H new ATOM 0 HG23 VAL A 447 -7.661 1.798 -5.886 1.00 11.53 H new ATOM 721 N LEU A 448 -6.973 -1.770 -8.880 1.00 1.42 N ATOM 722 CA LEU A 448 -7.060 -2.765 -9.918 1.00 64.14 C ATOM 723 C LEU A 448 -6.194 -3.975 -9.590 1.00 2.42 C ATOM 724 O LEU A 448 -6.529 -5.111 -9.945 1.00 25.35 O ATOM 725 CB LEU A 448 -6.597 -2.142 -11.233 1.00 72.20 C ATOM 726 CG LEU A 448 -6.570 -3.066 -12.429 1.00 21.23 C ATOM 727 CD1 LEU A 448 -7.977 -3.545 -12.784 1.00 44.12 C ATOM 728 CD2 LEU A 448 -5.886 -2.409 -13.616 1.00 24.31 C ATOM 0 H LEU A 448 -6.640 -0.865 -9.212 1.00 1.42 H new ATOM 0 HA LEU A 448 -8.093 -3.103 -10.001 1.00 64.14 H new ATOM 0 HB2 LEU A 448 -7.250 -1.300 -11.463 1.00 72.20 H new ATOM 0 HB3 LEU A 448 -5.595 -1.738 -11.088 1.00 72.20 H new ATOM 0 HG LEU A 448 -5.983 -3.944 -12.162 1.00 21.23 H new ATOM 0 HD11 LEU A 448 -7.928 -4.208 -13.648 1.00 44.12 H new ATOM 0 HD12 LEU A 448 -8.403 -4.083 -11.937 1.00 44.12 H new ATOM 0 HD13 LEU A 448 -8.605 -2.686 -13.021 1.00 44.12 H new ATOM 0 HD21 LEU A 448 -5.882 -3.098 -14.461 1.00 24.31 H new ATOM 0 HD22 LEU A 448 -6.425 -1.502 -13.890 1.00 24.31 H new ATOM 0 HD23 LEU A 448 -4.860 -2.155 -13.350 1.00 24.31 H new ATOM 740 N LEU A 449 -5.112 -3.720 -8.884 1.00 30.45 N ATOM 741 CA LEU A 449 -4.149 -4.739 -8.531 1.00 42.23 C ATOM 742 C LEU A 449 -4.787 -5.750 -7.582 1.00 3.40 C ATOM 743 O LEU A 449 -4.714 -6.972 -7.798 1.00 14.32 O ATOM 744 CB LEU A 449 -2.941 -4.095 -7.854 1.00 51.12 C ATOM 745 CG LEU A 449 -2.305 -2.908 -8.586 1.00 73.25 C ATOM 746 CD1 LEU A 449 -1.065 -2.410 -7.869 1.00 42.23 C ATOM 747 CD2 LEU A 449 -2.017 -3.240 -10.029 1.00 42.11 C ATOM 0 H LEU A 449 -4.875 -2.791 -8.537 1.00 30.45 H new ATOM 0 HA LEU A 449 -3.826 -5.251 -9.437 1.00 42.23 H new ATOM 0 HB2 LEU A 449 -3.242 -3.763 -6.861 1.00 51.12 H new ATOM 0 HB3 LEU A 449 -2.178 -4.861 -7.716 1.00 51.12 H new ATOM 0 HG LEU A 449 -3.030 -2.094 -8.578 1.00 73.25 H new ATOM 0 HD11 LEU A 449 -0.641 -1.568 -8.417 1.00 42.23 H new ATOM 0 HD12 LEU A 449 -1.331 -2.090 -6.861 1.00 42.23 H new ATOM 0 HD13 LEU A 449 -0.330 -3.213 -7.813 1.00 42.23 H new ATOM 0 HD21 LEU A 449 -1.567 -2.376 -10.518 1.00 42.11 H new ATOM 0 HD22 LEU A 449 -1.329 -4.084 -10.078 1.00 42.11 H new ATOM 0 HD23 LEU A 449 -2.947 -3.500 -10.535 1.00 42.11 H new ATOM 759 N GLY A 450 -5.433 -5.230 -6.550 1.00 43.35 N ATOM 760 CA GLY A 450 -6.086 -6.066 -5.577 1.00 14.31 C ATOM 761 C GLY A 450 -7.353 -6.656 -6.119 1.00 52.24 C ATOM 762 O GLY A 450 -7.698 -7.790 -5.814 1.00 0.12 O ATOM 0 H GLY A 450 -5.514 -4.229 -6.372 1.00 43.35 H new ATOM 0 HA2 GLY A 450 -5.412 -6.867 -5.273 1.00 14.31 H new ATOM 0 HA3 GLY A 450 -6.309 -5.481 -4.685 1.00 14.31 H new ATOM 766 N LEU A 451 -8.040 -5.880 -6.948 1.00 71.01 N ATOM 767 CA LEU A 451 -9.272 -6.303 -7.590 1.00 42.25 C ATOM 768 C LEU A 451 -8.997 -7.562 -8.412 1.00 63.21 C ATOM 769 O LEU A 451 -9.772 -8.513 -8.377 1.00 51.43 O ATOM 770 CB LEU A 451 -9.817 -5.132 -8.472 1.00 12.33 C ATOM 771 CG LEU A 451 -11.219 -5.261 -9.145 1.00 64.55 C ATOM 772 CD1 LEU A 451 -11.623 -3.921 -9.738 1.00 24.25 C ATOM 773 CD2 LEU A 451 -11.236 -6.311 -10.253 1.00 50.04 C ATOM 0 H LEU A 451 -7.753 -4.933 -7.194 1.00 71.01 H new ATOM 0 HA LEU A 451 -10.035 -6.546 -6.850 1.00 42.25 H new ATOM 0 HB2 LEU A 451 -9.835 -4.237 -7.850 1.00 12.33 H new ATOM 0 HB3 LEU A 451 -9.090 -4.955 -9.265 1.00 12.33 H new ATOM 0 HG LEU A 451 -11.921 -5.573 -8.372 1.00 64.55 H new ATOM 0 HD11 LEU A 451 -12.602 -4.012 -10.208 1.00 24.25 H new ATOM 0 HD12 LEU A 451 -11.668 -3.172 -8.947 1.00 24.25 H new ATOM 0 HD13 LEU A 451 -10.889 -3.617 -10.484 1.00 24.25 H new ATOM 0 HD21 LEU A 451 -12.233 -6.363 -10.690 1.00 50.04 H new ATOM 0 HD22 LEU A 451 -10.516 -6.038 -11.024 1.00 50.04 H new ATOM 0 HD23 LEU A 451 -10.971 -7.283 -9.837 1.00 50.04 H new ATOM 785 N GLY A 452 -7.863 -7.565 -9.107 1.00 22.24 N ATOM 786 CA GLY A 452 -7.484 -8.695 -9.942 1.00 74.43 C ATOM 787 C GLY A 452 -7.280 -9.964 -9.137 1.00 63.22 C ATOM 788 O GLY A 452 -7.677 -11.057 -9.567 1.00 32.23 O ATOM 0 H GLY A 452 -7.192 -6.797 -9.107 1.00 22.24 H new ATOM 0 HA2 GLY A 452 -8.256 -8.864 -10.693 1.00 74.43 H new ATOM 0 HA3 GLY A 452 -6.565 -8.456 -10.478 1.00 74.43 H new ATOM 792 N GLY A 453 -6.682 -9.821 -7.967 1.00 12.32 N ATOM 793 CA GLY A 453 -6.450 -10.958 -7.105 1.00 55.30 C ATOM 794 C GLY A 453 -7.725 -11.406 -6.427 1.00 13.02 C ATOM 795 O GLY A 453 -7.986 -12.597 -6.302 1.00 40.22 O ATOM 0 H GLY A 453 -6.351 -8.930 -7.596 1.00 12.32 H new ATOM 0 HA2 GLY A 453 -6.038 -11.781 -7.689 1.00 55.30 H new ATOM 0 HA3 GLY A 453 -5.707 -10.699 -6.351 1.00 55.30 H new ATOM 799 N LEU A 454 -8.521 -10.449 -6.006 1.00 3.01 N ATOM 800 CA LEU A 454 -9.801 -10.710 -5.366 1.00 60.34 C ATOM 801 C LEU A 454 -10.693 -11.489 -6.337 1.00 44.11 C ATOM 802 O LEU A 454 -11.267 -12.520 -5.980 1.00 41.22 O ATOM 803 CB LEU A 454 -10.435 -9.348 -4.941 1.00 42.21 C ATOM 804 CG LEU A 454 -11.756 -9.338 -4.120 1.00 44.34 C ATOM 805 CD1 LEU A 454 -12.015 -7.934 -3.620 1.00 43.43 C ATOM 806 CD2 LEU A 454 -12.958 -9.784 -4.951 1.00 3.31 C ATOM 0 H LEU A 454 -8.301 -9.457 -6.097 1.00 3.01 H new ATOM 0 HA LEU A 454 -9.680 -11.317 -4.469 1.00 60.34 H new ATOM 0 HB2 LEU A 454 -9.687 -8.807 -4.362 1.00 42.21 H new ATOM 0 HB3 LEU A 454 -10.612 -8.773 -5.850 1.00 42.21 H new ATOM 0 HG LEU A 454 -11.635 -10.039 -3.294 1.00 44.34 H new ATOM 0 HD11 LEU A 454 -12.940 -7.918 -3.043 1.00 43.43 H new ATOM 0 HD12 LEU A 454 -11.187 -7.615 -2.987 1.00 43.43 H new ATOM 0 HD13 LEU A 454 -12.105 -7.256 -4.469 1.00 43.43 H new ATOM 0 HD21 LEU A 454 -13.856 -9.760 -4.334 1.00 3.31 H new ATOM 0 HD22 LEU A 454 -13.083 -9.112 -5.800 1.00 3.31 H new ATOM 0 HD23 LEU A 454 -12.794 -10.799 -5.313 1.00 3.31 H new ATOM 818 N LEU A 455 -10.756 -11.004 -7.570 1.00 62.44 N ATOM 819 CA LEU A 455 -11.544 -11.609 -8.638 1.00 75.32 C ATOM 820 C LEU A 455 -11.060 -13.041 -8.920 1.00 44.35 C ATOM 821 O LEU A 455 -11.845 -13.919 -9.289 1.00 52.43 O ATOM 822 CB LEU A 455 -11.409 -10.748 -9.906 1.00 23.44 C ATOM 823 CG LEU A 455 -12.230 -11.164 -11.126 1.00 24.23 C ATOM 824 CD1 LEU A 455 -13.719 -11.052 -10.840 1.00 43.01 C ATOM 825 CD2 LEU A 455 -11.847 -10.328 -12.338 1.00 11.24 C ATOM 0 H LEU A 455 -10.253 -10.166 -7.862 1.00 62.44 H new ATOM 0 HA LEU A 455 -12.589 -11.657 -8.333 1.00 75.32 H new ATOM 0 HB2 LEU A 455 -11.681 -9.724 -9.649 1.00 23.44 H new ATOM 0 HB3 LEU A 455 -10.358 -10.735 -10.195 1.00 23.44 H new ATOM 0 HG LEU A 455 -12.008 -12.208 -11.347 1.00 24.23 H new ATOM 0 HD11 LEU A 455 -14.283 -11.353 -11.723 1.00 43.01 H new ATOM 0 HD12 LEU A 455 -13.979 -11.702 -10.004 1.00 43.01 H new ATOM 0 HD13 LEU A 455 -13.964 -10.020 -10.587 1.00 43.01 H new ATOM 0 HD21 LEU A 455 -12.442 -10.639 -13.197 1.00 11.24 H new ATOM 0 HD22 LEU A 455 -12.035 -9.275 -12.128 1.00 11.24 H new ATOM 0 HD23 LEU A 455 -10.789 -10.471 -12.559 1.00 11.24 H new ATOM 837 N LEU A 456 -9.775 -13.256 -8.724 1.00 43.14 N ATOM 838 CA LEU A 456 -9.137 -14.544 -8.951 1.00 10.20 C ATOM 839 C LEU A 456 -9.594 -15.532 -7.869 1.00 32.50 C ATOM 840 O LEU A 456 -9.957 -16.679 -8.161 1.00 64.40 O ATOM 841 CB LEU A 456 -7.596 -14.337 -8.914 1.00 53.23 C ATOM 842 CG LEU A 456 -6.650 -15.487 -9.350 1.00 73.45 C ATOM 843 CD1 LEU A 456 -5.228 -14.973 -9.376 1.00 21.52 C ATOM 844 CD2 LEU A 456 -6.716 -16.685 -8.417 1.00 24.54 C ATOM 0 H LEU A 456 -9.133 -12.534 -8.398 1.00 43.14 H new ATOM 0 HA LEU A 456 -9.416 -14.955 -9.921 1.00 10.20 H new ATOM 0 HB2 LEU A 456 -7.369 -13.475 -9.541 1.00 53.23 H new ATOM 0 HB3 LEU A 456 -7.329 -14.067 -7.892 1.00 53.23 H new ATOM 0 HG LEU A 456 -6.973 -15.816 -10.337 1.00 73.45 H new ATOM 0 HD11 LEU A 456 -4.557 -15.775 -9.682 1.00 21.52 H new ATOM 0 HD12 LEU A 456 -5.152 -14.147 -10.084 1.00 21.52 H new ATOM 0 HD13 LEU A 456 -4.949 -14.625 -8.381 1.00 21.52 H new ATOM 0 HD21 LEU A 456 -6.034 -17.459 -8.770 1.00 24.54 H new ATOM 0 HD22 LEU A 456 -6.428 -16.379 -7.411 1.00 24.54 H new ATOM 0 HD23 LEU A 456 -7.733 -17.077 -8.400 1.00 24.54 H new ATOM 856 N LEU A 457 -9.582 -15.073 -6.631 1.00 12.42 N ATOM 857 CA LEU A 457 -9.951 -15.902 -5.492 1.00 62.44 C ATOM 858 C LEU A 457 -11.415 -16.251 -5.402 1.00 55.23 C ATOM 859 O LEU A 457 -11.734 -17.287 -4.869 1.00 54.42 O ATOM 860 CB LEU A 457 -9.425 -15.384 -4.142 1.00 53.24 C ATOM 861 CG LEU A 457 -7.958 -15.702 -3.788 1.00 22.10 C ATOM 862 CD1 LEU A 457 -6.978 -15.097 -4.771 1.00 43.52 C ATOM 863 CD2 LEU A 457 -7.650 -15.256 -2.368 1.00 70.44 C ATOM 0 H LEU A 457 -9.318 -14.119 -6.384 1.00 12.42 H new ATOM 0 HA LEU A 457 -9.431 -16.836 -5.706 1.00 62.44 H new ATOM 0 HB2 LEU A 457 -9.550 -14.301 -4.124 1.00 53.24 H new ATOM 0 HB3 LEU A 457 -10.059 -15.791 -3.354 1.00 53.24 H new ATOM 0 HG LEU A 457 -7.836 -16.783 -3.855 1.00 22.10 H new ATOM 0 HD11 LEU A 457 -5.961 -15.352 -4.474 1.00 43.52 H new ATOM 0 HD12 LEU A 457 -7.174 -15.490 -5.769 1.00 43.52 H new ATOM 0 HD13 LEU A 457 -7.093 -14.013 -4.779 1.00 43.52 H new ATOM 0 HD21 LEU A 457 -6.611 -15.487 -2.131 1.00 70.44 H new ATOM 0 HD22 LEU A 457 -7.812 -14.182 -2.281 1.00 70.44 H new ATOM 0 HD23 LEU A 457 -8.305 -15.780 -1.672 1.00 70.44 H new ATOM 875 N VAL A 458 -12.300 -15.396 -5.915 1.00 53.33 N ATOM 876 CA VAL A 458 -13.766 -15.646 -5.830 1.00 35.43 C ATOM 877 C VAL A 458 -14.186 -17.117 -6.210 1.00 40.40 C ATOM 878 O VAL A 458 -14.837 -17.796 -5.397 1.00 12.14 O ATOM 879 CB VAL A 458 -14.612 -14.592 -6.613 1.00 33.04 C ATOM 880 CG1 VAL A 458 -16.089 -14.912 -6.520 1.00 24.11 C ATOM 881 CG2 VAL A 458 -14.356 -13.195 -6.072 1.00 2.11 C ATOM 0 H VAL A 458 -12.046 -14.530 -6.391 1.00 53.33 H new ATOM 0 HA VAL A 458 -13.999 -15.526 -4.772 1.00 35.43 H new ATOM 0 HB VAL A 458 -14.310 -14.630 -7.660 1.00 33.04 H new ATOM 0 HG11 VAL A 458 -16.659 -14.165 -7.073 1.00 24.11 H new ATOM 0 HG12 VAL A 458 -16.275 -15.898 -6.946 1.00 24.11 H new ATOM 0 HG13 VAL A 458 -16.398 -14.904 -5.475 1.00 24.11 H new ATOM 0 HG21 VAL A 458 -14.954 -12.474 -6.629 1.00 2.11 H new ATOM 0 HG22 VAL A 458 -14.631 -13.157 -5.018 1.00 2.11 H new ATOM 0 HG23 VAL A 458 -13.299 -12.951 -6.180 1.00 2.11 H new ATOM 891 N PRO A 459 -13.811 -17.650 -7.415 1.00 40.51 N ATOM 892 CA PRO A 459 -14.130 -19.044 -7.771 1.00 41.05 C ATOM 893 C PRO A 459 -13.357 -20.035 -6.889 1.00 55.15 C ATOM 894 O PRO A 459 -13.839 -21.121 -6.577 1.00 40.43 O ATOM 895 CB PRO A 459 -13.663 -19.171 -9.234 1.00 22.34 C ATOM 896 CG PRO A 459 -13.502 -17.770 -9.713 1.00 1.24 C ATOM 897 CD PRO A 459 -13.102 -16.969 -8.515 1.00 31.04 C ATOM 0 HA PRO A 459 -15.187 -19.269 -7.633 1.00 41.05 H new ATOM 0 HB2 PRO A 459 -12.724 -19.721 -9.302 1.00 22.34 H new ATOM 0 HB3 PRO A 459 -14.394 -19.712 -9.836 1.00 22.34 H new ATOM 0 HG2 PRO A 459 -12.744 -17.709 -10.494 1.00 1.24 H new ATOM 0 HG3 PRO A 459 -14.432 -17.395 -10.141 1.00 1.24 H new ATOM 0 HD2 PRO A 459 -12.022 -16.976 -8.366 1.00 31.04 H new ATOM 0 HD3 PRO A 459 -13.404 -15.926 -8.607 1.00 31.04 H new ATOM 905 N ILE A 460 -12.176 -19.622 -6.460 1.00 34.33 N ATOM 906 CA ILE A 460 -11.298 -20.457 -5.647 1.00 73.44 C ATOM 907 C ILE A 460 -11.882 -20.650 -4.243 1.00 43.13 C ATOM 908 O ILE A 460 -11.783 -21.723 -3.675 1.00 73.10 O ATOM 909 CB ILE A 460 -9.855 -19.864 -5.562 1.00 23.04 C ATOM 910 CG1 ILE A 460 -9.240 -19.713 -6.971 1.00 52.22 C ATOM 911 CG2 ILE A 460 -8.945 -20.711 -4.669 1.00 75.21 C ATOM 912 CD1 ILE A 460 -9.139 -21.009 -7.763 1.00 64.54 C ATOM 0 H ILE A 460 -11.796 -18.698 -6.664 1.00 34.33 H new ATOM 0 HA ILE A 460 -11.228 -21.430 -6.134 1.00 73.44 H new ATOM 0 HB ILE A 460 -9.937 -18.876 -5.109 1.00 23.04 H new ATOM 0 HG12 ILE A 460 -9.839 -19.001 -7.540 1.00 52.22 H new ATOM 0 HG13 ILE A 460 -8.243 -19.284 -6.873 1.00 52.22 H new ATOM 0 HG21 ILE A 460 -7.951 -20.265 -4.636 1.00 75.21 H new ATOM 0 HG22 ILE A 460 -9.359 -20.751 -3.661 1.00 75.21 H new ATOM 0 HG23 ILE A 460 -8.877 -21.721 -5.073 1.00 75.21 H new ATOM 0 HD11 ILE A 460 -8.696 -20.806 -8.738 1.00 64.54 H new ATOM 0 HD12 ILE A 460 -8.514 -21.719 -7.221 1.00 64.54 H new ATOM 0 HD13 ILE A 460 -10.135 -21.432 -7.898 1.00 64.54 H new ATOM 924 N ILE A 461 -12.520 -19.609 -3.712 1.00 40.45 N ATOM 925 CA ILE A 461 -13.174 -19.678 -2.394 1.00 60.52 C ATOM 926 C ILE A 461 -14.232 -20.770 -2.416 1.00 35.45 C ATOM 927 O ILE A 461 -14.416 -21.516 -1.453 1.00 1.23 O ATOM 928 CB ILE A 461 -13.854 -18.321 -2.006 1.00 70.51 C ATOM 929 CG1 ILE A 461 -12.840 -17.161 -2.012 1.00 71.41 C ATOM 930 CG2 ILE A 461 -14.550 -18.416 -0.646 1.00 5.10 C ATOM 931 CD1 ILE A 461 -11.657 -17.344 -1.085 1.00 34.11 C ATOM 0 H ILE A 461 -12.602 -18.702 -4.171 1.00 40.45 H new ATOM 0 HA ILE A 461 -12.405 -19.896 -1.653 1.00 60.52 H new ATOM 0 HB ILE A 461 -14.611 -18.113 -2.762 1.00 70.51 H new ATOM 0 HG12 ILE A 461 -12.469 -17.027 -3.028 1.00 71.41 H new ATOM 0 HG13 ILE A 461 -13.359 -16.242 -1.738 1.00 71.41 H new ATOM 0 HG21 ILE A 461 -15.012 -17.458 -0.406 1.00 5.10 H new ATOM 0 HG22 ILE A 461 -15.317 -19.190 -0.683 1.00 5.10 H new ATOM 0 HG23 ILE A 461 -13.817 -18.668 0.121 1.00 5.10 H new ATOM 0 HD11 ILE A 461 -11.000 -16.478 -1.159 1.00 34.11 H new ATOM 0 HD12 ILE A 461 -12.011 -17.445 -0.059 1.00 34.11 H new ATOM 0 HD13 ILE A 461 -11.107 -18.241 -1.369 1.00 34.11 H new ATOM 943 N CYS A 462 -14.880 -20.882 -3.545 1.00 70.21 N ATOM 944 CA CYS A 462 -15.911 -21.850 -3.760 1.00 3.33 C ATOM 945 C CYS A 462 -15.307 -23.264 -3.871 1.00 74.01 C ATOM 946 O CYS A 462 -15.954 -24.258 -3.526 1.00 64.10 O ATOM 947 CB CYS A 462 -16.665 -21.474 -5.023 1.00 61.44 C ATOM 948 SG CYS A 462 -17.281 -19.770 -5.010 1.00 1.50 S ATOM 0 H CYS A 462 -14.699 -20.289 -4.355 1.00 70.21 H new ATOM 0 HA CYS A 462 -16.601 -21.858 -2.916 1.00 3.33 H new ATOM 0 HB2 CYS A 462 -16.009 -21.609 -5.883 1.00 61.44 H new ATOM 0 HB3 CYS A 462 -17.506 -22.156 -5.153 1.00 61.44 H new ATOM 0 HG CYS A 462 -16.289 -18.949 -5.187 1.00 1.50 H new ATOM 954 N GLN A 463 -14.055 -23.332 -4.320 1.00 23.20 N ATOM 955 CA GLN A 463 -13.341 -24.594 -4.460 1.00 41.31 C ATOM 956 C GLN A 463 -12.847 -25.047 -3.101 1.00 1.45 C ATOM 957 O GLN A 463 -12.884 -26.236 -2.757 1.00 24.43 O ATOM 958 CB GLN A 463 -12.186 -24.453 -5.469 1.00 60.51 C ATOM 959 CG GLN A 463 -11.294 -25.681 -5.588 1.00 33.12 C ATOM 960 CD GLN A 463 -12.056 -26.950 -5.903 1.00 71.31 C ATOM 961 OE1 GLN A 463 -13.097 -26.931 -6.551 1.00 24.41 O ATOM 962 NE2 GLN A 463 -11.552 -28.056 -5.429 1.00 44.54 N ATOM 0 H GLN A 463 -13.511 -22.515 -4.596 1.00 23.20 H new ATOM 0 HA GLN A 463 -14.017 -25.355 -4.850 1.00 41.31 H new ATOM 0 HB2 GLN A 463 -12.604 -24.227 -6.450 1.00 60.51 H new ATOM 0 HB3 GLN A 463 -11.571 -23.600 -5.181 1.00 60.51 H new ATOM 0 HG2 GLN A 463 -10.553 -25.508 -6.368 1.00 33.12 H new ATOM 0 HG3 GLN A 463 -10.748 -25.816 -4.654 1.00 33.12 H new ATOM 0 HE21 GLN A 463 -10.684 -28.033 -4.894 1.00 44.54 H new ATOM 0 HE22 GLN A 463 -12.026 -28.944 -5.593 1.00 44.54 H new ATOM 971 N LEU A 464 -12.424 -24.080 -2.322 1.00 70.50 N ATOM 972 CA LEU A 464 -11.958 -24.287 -0.970 1.00 75.35 C ATOM 973 C LEU A 464 -13.033 -24.894 -0.100 1.00 4.22 C ATOM 974 O LEU A 464 -12.738 -25.535 0.894 1.00 43.15 O ATOM 975 CB LEU A 464 -11.438 -22.984 -0.394 1.00 23.44 C ATOM 976 CG LEU A 464 -10.182 -22.450 -1.064 1.00 21.34 C ATOM 977 CD1 LEU A 464 -9.914 -21.030 -0.645 1.00 42.34 C ATOM 978 CD2 LEU A 464 -8.989 -23.315 -0.717 1.00 31.22 C ATOM 0 H LEU A 464 -12.393 -23.104 -2.617 1.00 70.50 H new ATOM 0 HA LEU A 464 -11.135 -25.002 -0.994 1.00 75.35 H new ATOM 0 HB2 LEU A 464 -12.222 -22.231 -0.469 1.00 23.44 H new ATOM 0 HB3 LEU A 464 -11.235 -23.127 0.667 1.00 23.44 H new ATOM 0 HG LEU A 464 -10.341 -22.474 -2.142 1.00 21.34 H new ATOM 0 HD11 LEU A 464 -9.011 -20.670 -1.137 1.00 42.34 H new ATOM 0 HD12 LEU A 464 -10.758 -20.401 -0.930 1.00 42.34 H new ATOM 0 HD13 LEU A 464 -9.779 -20.989 0.436 1.00 42.34 H new ATOM 0 HD21 LEU A 464 -8.098 -22.919 -1.205 1.00 31.22 H new ATOM 0 HD22 LEU A 464 -8.842 -23.315 0.363 1.00 31.22 H new ATOM 0 HD23 LEU A 464 -9.167 -24.334 -1.059 1.00 31.22 H new ATOM 990 N ARG A 465 -14.292 -24.701 -0.483 1.00 21.32 N ATOM 991 CA ARG A 465 -15.393 -25.282 0.264 1.00 72.41 C ATOM 992 C ARG A 465 -15.417 -26.808 0.068 1.00 4.40 C ATOM 993 O ARG A 465 -15.898 -27.543 0.919 1.00 62.01 O ATOM 994 CB ARG A 465 -16.741 -24.681 -0.173 1.00 44.22 C ATOM 995 CG ARG A 465 -16.820 -23.154 -0.083 1.00 23.11 C ATOM 996 CD ARG A 465 -16.461 -22.643 1.305 1.00 42.54 C ATOM 997 NE ARG A 465 -17.304 -23.222 2.343 1.00 51.22 N ATOM 998 CZ ARG A 465 -17.038 -23.188 3.648 1.00 54.42 C ATOM 999 NH1 ARG A 465 -15.960 -22.550 4.098 1.00 23.13 N ATOM 1000 NH2 ARG A 465 -17.858 -23.775 4.499 1.00 4.14 N ATOM 0 H ARG A 465 -14.569 -24.153 -1.297 1.00 21.32 H new ATOM 0 HA ARG A 465 -15.241 -25.053 1.319 1.00 72.41 H new ATOM 0 HB2 ARG A 465 -16.941 -24.982 -1.201 1.00 44.22 H new ATOM 0 HB3 ARG A 465 -17.531 -25.109 0.444 1.00 44.22 H new ATOM 0 HG2 ARG A 465 -16.146 -22.713 -0.817 1.00 23.11 H new ATOM 0 HG3 ARG A 465 -17.828 -22.828 -0.339 1.00 23.11 H new ATOM 0 HD2 ARG A 465 -15.417 -22.875 1.516 1.00 42.54 H new ATOM 0 HD3 ARG A 465 -16.557 -21.557 1.326 1.00 42.54 H new ATOM 0 HE ARG A 465 -18.162 -23.688 2.048 1.00 51.22 H new ATOM 0 HH11 ARG A 465 -15.333 -22.084 3.443 1.00 23.13 H new ATOM 0 HH12 ARG A 465 -15.761 -22.527 5.098 1.00 23.13 H new ATOM 0 HH21 ARG A 465 -18.692 -24.253 4.157 1.00 4.14 H new ATOM 0 HH22 ARG A 465 -17.658 -23.751 5.499 1.00 4.14 H new ATOM 1014 N SER A 466 -14.843 -27.270 -1.033 1.00 13.14 N ATOM 1015 CA SER A 466 -14.748 -28.692 -1.308 1.00 62.24 C ATOM 1016 C SER A 466 -13.494 -29.237 -0.659 1.00 43.21 C ATOM 1017 O SER A 466 -13.480 -30.352 -0.131 1.00 31.21 O ATOM 1018 CB SER A 466 -14.717 -28.938 -2.820 1.00 72.33 C ATOM 1019 OG SER A 466 -15.881 -28.406 -3.443 1.00 24.23 O ATOM 0 H SER A 466 -14.434 -26.675 -1.753 1.00 13.14 H new ATOM 0 HA SER A 466 -15.619 -29.203 -0.898 1.00 62.24 H new ATOM 0 HB2 SER A 466 -13.827 -28.478 -3.250 1.00 72.33 H new ATOM 0 HB3 SER A 466 -14.650 -30.008 -3.018 1.00 72.33 H new ATOM 0 HG SER A 466 -15.840 -28.572 -4.408 1.00 24.23 H new ATOM 1025 N GLN A 467 -12.454 -28.411 -0.668 1.00 14.41 N ATOM 1026 CA GLN A 467 -11.168 -28.732 -0.064 1.00 11.22 C ATOM 1027 C GLN A 467 -11.277 -28.779 1.464 1.00 12.45 C ATOM 1028 O GLN A 467 -10.504 -29.452 2.139 1.00 31.21 O ATOM 1029 CB GLN A 467 -10.125 -27.711 -0.536 1.00 1.30 C ATOM 1030 CG GLN A 467 -9.908 -27.762 -2.040 1.00 65.53 C ATOM 1031 CD GLN A 467 -8.954 -26.715 -2.547 1.00 55.20 C ATOM 1032 OE1 GLN A 467 -9.355 -25.625 -2.911 1.00 51.53 O ATOM 1033 NE2 GLN A 467 -7.695 -27.034 -2.567 1.00 4.35 N ATOM 0 H GLN A 467 -12.482 -27.488 -1.101 1.00 14.41 H new ATOM 0 HA GLN A 467 -10.850 -29.725 -0.383 1.00 11.22 H new ATOM 0 HB2 GLN A 467 -10.446 -26.709 -0.251 1.00 1.30 H new ATOM 0 HB3 GLN A 467 -9.179 -27.900 -0.028 1.00 1.30 H new ATOM 0 HG2 GLN A 467 -9.530 -28.748 -2.311 1.00 65.53 H new ATOM 0 HG3 GLN A 467 -10.868 -27.640 -2.541 1.00 65.53 H new ATOM 0 HE21 GLN A 467 -7.398 -27.958 -2.254 1.00 4.35 H new ATOM 0 HE22 GLN A 467 -7.003 -26.360 -2.896 1.00 4.35 H new ATOM 1042 N GLU A 468 -12.267 -28.066 1.979 1.00 43.44 N ATOM 1043 CA GLU A 468 -12.598 -28.025 3.404 1.00 32.42 C ATOM 1044 C GLU A 468 -13.162 -29.394 3.819 1.00 4.33 C ATOM 1045 O GLU A 468 -13.008 -29.837 4.953 1.00 74.30 O ATOM 1046 CB GLU A 468 -13.629 -26.862 3.605 1.00 31.24 C ATOM 1047 CG GLU A 468 -14.077 -26.498 5.034 1.00 70.20 C ATOM 1048 CD GLU A 468 -15.006 -27.491 5.691 1.00 42.12 C ATOM 1049 OE1 GLU A 468 -16.146 -27.666 5.207 1.00 20.20 O ATOM 1050 OE2 GLU A 468 -14.648 -28.051 6.733 1.00 3.01 O ATOM 0 H GLU A 468 -12.880 -27.484 1.408 1.00 43.44 H new ATOM 0 HA GLU A 468 -11.728 -27.833 4.031 1.00 32.42 H new ATOM 0 HB2 GLU A 468 -13.204 -25.965 3.155 1.00 31.24 H new ATOM 0 HB3 GLU A 468 -14.523 -27.113 3.034 1.00 31.24 H new ATOM 0 HG2 GLU A 468 -13.190 -26.387 5.658 1.00 70.20 H new ATOM 0 HG3 GLU A 468 -14.571 -25.527 5.006 1.00 70.20 H new ATOM 1057 N LYS A 469 -13.763 -30.067 2.864 1.00 13.24 N ATOM 1058 CA LYS A 469 -14.370 -31.355 3.093 1.00 40.44 C ATOM 1059 C LYS A 469 -13.357 -32.474 2.862 1.00 33.33 C ATOM 1060 O LYS A 469 -13.186 -33.355 3.710 1.00 5.41 O ATOM 1061 CB LYS A 469 -15.551 -31.541 2.150 1.00 25.21 C ATOM 1062 CG LYS A 469 -16.622 -30.506 2.280 1.00 34.23 C ATOM 1063 CD LYS A 469 -17.684 -30.729 1.236 1.00 3.53 C ATOM 1064 CE LYS A 469 -18.755 -29.690 1.334 1.00 53.21 C ATOM 1065 NZ LYS A 469 -19.795 -29.857 0.293 1.00 14.55 N ATOM 0 H LYS A 469 -13.844 -29.734 1.903 1.00 13.24 H new ATOM 0 HA LYS A 469 -14.713 -31.397 4.127 1.00 40.44 H new ATOM 0 HB2 LYS A 469 -15.183 -31.537 1.124 1.00 25.21 H new ATOM 0 HB3 LYS A 469 -15.990 -32.523 2.328 1.00 25.21 H new ATOM 0 HG2 LYS A 469 -17.064 -30.551 3.275 1.00 34.23 H new ATOM 0 HG3 LYS A 469 -16.193 -29.511 2.167 1.00 34.23 H new ATOM 0 HD2 LYS A 469 -17.235 -30.702 0.243 1.00 3.53 H new ATOM 0 HD3 LYS A 469 -18.120 -31.720 1.361 1.00 3.53 H new ATOM 0 HE2 LYS A 469 -19.218 -29.741 2.319 1.00 53.21 H new ATOM 0 HE3 LYS A 469 -18.308 -28.700 1.243 1.00 53.21 H new ATOM 0 HZ1 LYS A 469 -20.516 -29.115 0.400 1.00 14.55 H new ATOM 0 HZ2 LYS A 469 -19.359 -29.783 -0.648 1.00 14.55 H new ATOM 0 HZ3 LYS A 469 -20.242 -30.791 0.395 1.00 14.55 H new ATOM 1079 N CYS A 470 -12.697 -32.438 1.719 1.00 53.42 N ATOM 1080 CA CYS A 470 -11.745 -33.466 1.348 1.00 12.41 C ATOM 1081 C CYS A 470 -10.677 -32.879 0.428 1.00 72.31 C ATOM 1082 O CYS A 470 -10.932 -31.895 -0.271 1.00 60.21 O ATOM 1083 CB CYS A 470 -12.496 -34.605 0.631 1.00 55.04 C ATOM 1084 SG CYS A 470 -11.473 -35.974 0.055 1.00 54.31 S ATOM 0 H CYS A 470 -12.806 -31.698 1.025 1.00 53.42 H new ATOM 0 HA CYS A 470 -11.256 -33.856 2.241 1.00 12.41 H new ATOM 0 HB2 CYS A 470 -13.252 -35.001 1.309 1.00 55.04 H new ATOM 0 HB3 CYS A 470 -13.024 -34.185 -0.225 1.00 55.04 H new ATOM 0 HG CYS A 470 -10.987 -35.690 -1.117 1.00 54.31 H new ATOM 1090 N PHE A 471 -9.500 -33.475 0.438 1.00 11.23 N ATOM 1091 CA PHE A 471 -8.426 -33.073 -0.430 1.00 23.03 C ATOM 1092 C PHE A 471 -7.519 -34.270 -0.700 1.00 34.41 C ATOM 1093 O PHE A 471 -6.447 -34.427 -0.091 1.00 20.14 O ATOM 1094 CB PHE A 471 -7.635 -31.883 0.152 1.00 64.43 C ATOM 1095 CG PHE A 471 -6.574 -31.321 -0.768 1.00 50.03 C ATOM 1096 CD1 PHE A 471 -5.242 -31.700 -0.648 1.00 35.43 C ATOM 1097 CD2 PHE A 471 -6.913 -30.418 -1.751 1.00 14.42 C ATOM 1098 CE1 PHE A 471 -4.281 -31.185 -1.492 1.00 61.43 C ATOM 1099 CE2 PHE A 471 -5.957 -29.899 -2.598 1.00 63.22 C ATOM 1100 CZ PHE A 471 -4.639 -30.282 -2.471 1.00 13.20 C ATOM 0 H PHE A 471 -9.268 -34.254 1.054 1.00 11.23 H new ATOM 0 HA PHE A 471 -8.849 -32.729 -1.374 1.00 23.03 H new ATOM 0 HB2 PHE A 471 -8.336 -31.087 0.406 1.00 64.43 H new ATOM 0 HB3 PHE A 471 -7.161 -32.199 1.081 1.00 64.43 H new ATOM 0 HD1 PHE A 471 -4.956 -32.407 0.116 1.00 35.43 H new ATOM 0 HD2 PHE A 471 -7.943 -30.112 -1.860 1.00 14.42 H new ATOM 0 HE1 PHE A 471 -3.250 -31.488 -1.387 1.00 61.43 H new ATOM 0 HE2 PHE A 471 -6.241 -29.191 -3.362 1.00 63.22 H new ATOM 0 HZ PHE A 471 -3.890 -29.877 -3.135 1.00 13.20 H new ATOM 1110 N LEU A 472 -8.001 -35.165 -1.521 1.00 44.10 N ATOM 1111 CA LEU A 472 -7.222 -36.339 -1.918 1.00 12.44 C ATOM 1112 C LEU A 472 -6.133 -35.928 -2.887 1.00 23.55 C ATOM 1113 O LEU A 472 -4.986 -36.355 -2.793 1.00 13.11 O ATOM 1114 CB LEU A 472 -8.115 -37.404 -2.553 1.00 13.31 C ATOM 1115 CG LEU A 472 -9.211 -37.987 -1.665 1.00 14.52 C ATOM 1116 CD1 LEU A 472 -10.031 -38.999 -2.440 1.00 13.34 C ATOM 1117 CD2 LEU A 472 -8.614 -38.632 -0.425 1.00 42.43 C ATOM 0 H LEU A 472 -8.931 -35.115 -1.937 1.00 44.10 H new ATOM 0 HA LEU A 472 -6.769 -36.768 -1.024 1.00 12.44 H new ATOM 0 HB2 LEU A 472 -8.585 -36.973 -3.437 1.00 13.31 H new ATOM 0 HB3 LEU A 472 -7.481 -38.222 -2.895 1.00 13.31 H new ATOM 0 HG LEU A 472 -9.864 -37.174 -1.347 1.00 14.52 H new ATOM 0 HD11 LEU A 472 -10.809 -39.407 -1.795 1.00 13.34 H new ATOM 0 HD12 LEU A 472 -10.491 -38.513 -3.300 1.00 13.34 H new ATOM 0 HD13 LEU A 472 -9.384 -39.806 -2.783 1.00 13.34 H new ATOM 0 HD21 LEU A 472 -9.413 -39.041 0.193 1.00 42.43 H new ATOM 0 HD22 LEU A 472 -7.938 -39.434 -0.722 1.00 42.43 H new ATOM 0 HD23 LEU A 472 -8.062 -37.884 0.144 1.00 42.43 H new ATOM 1129 N PHE A 473 -6.516 -35.084 -3.797 1.00 61.43 N ATOM 1130 CA PHE A 473 -5.629 -34.584 -4.830 1.00 50.52 C ATOM 1131 C PHE A 473 -5.937 -33.122 -5.105 1.00 50.23 C ATOM 1132 O PHE A 473 -5.055 -32.327 -5.394 1.00 1.04 O ATOM 1133 CB PHE A 473 -5.768 -35.436 -6.119 1.00 2.24 C ATOM 1134 CG PHE A 473 -7.181 -35.530 -6.671 1.00 44.43 C ATOM 1135 CD1 PHE A 473 -8.060 -36.498 -6.203 1.00 24.32 C ATOM 1136 CD2 PHE A 473 -7.623 -34.654 -7.650 1.00 4.41 C ATOM 1137 CE1 PHE A 473 -9.344 -36.586 -6.698 1.00 1.33 C ATOM 1138 CE2 PHE A 473 -8.906 -34.740 -8.150 1.00 23.31 C ATOM 1139 CZ PHE A 473 -9.769 -35.706 -7.674 1.00 31.04 C ATOM 0 H PHE A 473 -7.464 -34.712 -3.853 1.00 61.43 H new ATOM 0 HA PHE A 473 -4.597 -34.662 -4.488 1.00 50.52 H new ATOM 0 HB2 PHE A 473 -5.120 -35.015 -6.888 1.00 2.24 H new ATOM 0 HB3 PHE A 473 -5.406 -36.443 -5.913 1.00 2.24 H new ATOM 0 HD1 PHE A 473 -7.734 -37.191 -5.441 1.00 24.32 H new ATOM 0 HD2 PHE A 473 -6.954 -33.894 -8.026 1.00 4.41 H new ATOM 0 HE1 PHE A 473 -10.017 -37.343 -6.323 1.00 1.33 H new ATOM 0 HE2 PHE A 473 -9.235 -34.051 -8.914 1.00 23.31 H new ATOM 0 HZ PHE A 473 -10.774 -35.774 -8.064 1.00 31.04 H new ATOM 1149 N TRP A 474 -7.201 -32.790 -4.990 1.00 73.25 N ATOM 1150 CA TRP A 474 -7.698 -31.454 -5.202 1.00 3.44 C ATOM 1151 C TRP A 474 -9.070 -31.387 -4.557 1.00 23.42 C ATOM 1152 O TRP A 474 -9.487 -30.362 -4.029 1.00 4.03 O ATOM 1153 CB TRP A 474 -7.755 -31.131 -6.706 1.00 10.43 C ATOM 1154 CG TRP A 474 -8.088 -29.705 -7.016 1.00 41.54 C ATOM 1155 CD1 TRP A 474 -9.217 -29.233 -7.616 1.00 65.20 C ATOM 1156 CD2 TRP A 474 -7.276 -28.557 -6.729 1.00 31.20 C ATOM 1157 NE1 TRP A 474 -9.146 -27.868 -7.734 1.00 61.14 N ATOM 1158 CE2 TRP A 474 -7.970 -27.431 -7.194 1.00 3.55 C ATOM 1159 CE3 TRP A 474 -6.025 -28.379 -6.128 1.00 11.42 C ATOM 1160 CZ2 TRP A 474 -7.462 -26.139 -7.077 1.00 61.33 C ATOM 1161 CZ3 TRP A 474 -5.521 -27.097 -6.011 1.00 14.35 C ATOM 1162 CH2 TRP A 474 -6.240 -25.993 -6.484 1.00 52.31 C ATOM 0 H TRP A 474 -7.929 -33.459 -4.740 1.00 73.25 H new ATOM 0 HA TRP A 474 -7.039 -30.710 -4.754 1.00 3.44 H new ATOM 0 HB2 TRP A 474 -6.792 -31.373 -7.155 1.00 10.43 H new ATOM 0 HB3 TRP A 474 -8.497 -31.776 -7.177 1.00 10.43 H new ATOM 0 HD1 TRP A 474 -10.044 -29.843 -7.949 1.00 65.20 H new ATOM 0 HE1 TRP A 474 -9.858 -27.274 -8.158 1.00 61.14 H new ATOM 0 HE3 TRP A 474 -5.464 -29.227 -5.763 1.00 11.42 H new ATOM 0 HZ2 TRP A 474 -8.014 -25.285 -7.441 1.00 61.33 H new ATOM 0 HZ3 TRP A 474 -4.557 -26.945 -5.547 1.00 14.35 H new ATOM 0 HH2 TRP A 474 -5.819 -25.004 -6.378 1.00 52.31 H new ATOM 1173 N SER A 475 -9.768 -32.501 -4.624 1.00 42.20 N ATOM 1174 CA SER A 475 -11.013 -32.698 -3.930 1.00 63.03 C ATOM 1175 C SER A 475 -11.147 -34.195 -3.610 1.00 21.34 C ATOM 1176 O SER A 475 -11.848 -34.908 -4.343 1.00 35.42 O ATOM 1177 CB SER A 475 -12.193 -32.212 -4.789 1.00 54.05 C ATOM 1178 OG SER A 475 -12.059 -30.823 -5.103 1.00 14.13 O ATOM 1179 OXT SER A 475 -10.473 -34.664 -2.661 1.00 35.42 O ATOM 0 H SER A 475 -9.476 -33.308 -5.175 1.00 42.20 H new ATOM 0 HA SER A 475 -11.025 -32.119 -3.006 1.00 63.03 H new ATOM 0 HB2 SER A 475 -12.242 -32.794 -5.709 1.00 54.05 H new ATOM 0 HB3 SER A 475 -13.129 -32.380 -4.256 1.00 54.05 H new ATOM 0 HG SER A 475 -11.368 -30.424 -4.534 1.00 14.13 H new TER 1185 SER A 475