USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 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 428 SER OG : rot 180:sc= 0.999 USER MOD Set 1.2: A 431 TYR OH : rot -103:sc= 1.18 USER MOD Single : A 404 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 405 LYS NZ :NH3+ 167:sc= -0.0411 (180deg=-0.253) USER MOD Single : A 418 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 419 SER OG : rot 180:sc= 0 USER MOD Single : A 422 MET CE :methyl 166:sc= -0.242 (180deg=-0.694) USER MOD Single : A 425 LYS NZ :NH3+ -174:sc= 0.984 (180deg=0.933) USER MOD Single : A 429 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 432 THR OG1 : rot 81:sc= 1.12 USER MOD Single : A 433 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.61) USER MOD Single : A 437 MET CE :methyl -162:sc= -0.8 (180deg=-1.48!) USER MOD Single : A 439 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.1!) USER MOD Single : A 442 HIS :FLIP no HE2:sc= 0.203 F(o=-0.86,f=0.2) USER MOD Single : A 443 TYR OH : rot 180:sc= 0 USER MOD Single : A 445 GLN : amide:sc= -0.0062 X(o=-0.0062,f=-0.37) USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 CYS SG : rot 70:sc= 1.21 USER MOD Single : A 463 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 GLN : amide:sc= -1.01 X(o=-1,f=-1.2) USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 CYS SG : rot 3:sc= 0.512 USER MOD Single : A 475 SER OG : rot 93:sc= 0.973 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 403 -10.488 26.933 -15.527 1.00 52.20 N ATOM 2 CA GLY A 403 -10.511 28.377 -15.725 1.00 54.14 C ATOM 3 C GLY A 403 -9.272 29.013 -15.181 1.00 5.22 C ATOM 4 O GLY A 403 -8.523 28.377 -14.445 1.00 11.01 O ATOM 0 HA2 GLY A 403 -10.602 28.600 -16.788 1.00 54.14 H new ATOM 0 HA3 GLY A 403 -11.387 28.801 -15.234 1.00 54.14 H new ATOM 10 N SER A 404 -9.057 30.253 -15.525 1.00 11.31 N ATOM 11 CA SER A 404 -7.870 30.961 -15.133 1.00 12.33 C ATOM 12 C SER A 404 -8.089 31.878 -13.929 1.00 34.24 C ATOM 13 O SER A 404 -7.141 32.236 -13.242 1.00 61.42 O ATOM 14 CB SER A 404 -7.366 31.740 -16.328 1.00 3.40 C ATOM 15 OG SER A 404 -8.439 32.438 -16.946 1.00 20.33 O ATOM 0 H SER A 404 -9.705 30.804 -16.089 1.00 11.31 H new ATOM 0 HA SER A 404 -7.125 30.233 -14.811 1.00 12.33 H new ATOM 0 HB2 SER A 404 -6.597 32.445 -16.014 1.00 3.40 H new ATOM 0 HB3 SER A 404 -6.903 31.062 -17.045 1.00 3.40 H new ATOM 0 HG SER A 404 -8.102 32.940 -17.717 1.00 20.33 H new ATOM 21 N LYS A 405 -9.336 32.236 -13.669 1.00 53.32 N ATOM 22 CA LYS A 405 -9.654 33.168 -12.585 1.00 50.44 C ATOM 23 C LYS A 405 -9.643 32.490 -11.228 1.00 11.34 C ATOM 24 O LYS A 405 -9.439 33.138 -10.207 1.00 14.42 O ATOM 25 CB LYS A 405 -10.998 33.914 -12.811 1.00 44.23 C ATOM 26 CG LYS A 405 -11.021 34.920 -13.965 1.00 5.40 C ATOM 27 CD LYS A 405 -10.796 34.271 -15.309 1.00 61.20 C ATOM 28 CE LYS A 405 -10.827 35.282 -16.424 1.00 55.03 C ATOM 29 NZ LYS A 405 -9.789 36.330 -16.283 1.00 54.22 N ATOM 0 H LYS A 405 -10.147 31.900 -14.189 1.00 53.32 H new ATOM 0 HA LYS A 405 -8.860 33.915 -12.596 1.00 50.44 H new ATOM 0 HB2 LYS A 405 -11.777 33.172 -12.986 1.00 44.23 H new ATOM 0 HB3 LYS A 405 -11.258 34.439 -11.892 1.00 44.23 H new ATOM 0 HG2 LYS A 405 -11.981 35.437 -13.972 1.00 5.40 H new ATOM 0 HG3 LYS A 405 -10.253 35.676 -13.798 1.00 5.40 H new ATOM 0 HD2 LYS A 405 -9.835 33.757 -15.309 1.00 61.20 H new ATOM 0 HD3 LYS A 405 -11.562 33.515 -15.481 1.00 61.20 H new ATOM 0 HE2 LYS A 405 -10.691 34.769 -17.376 1.00 55.03 H new ATOM 0 HE3 LYS A 405 -11.810 35.753 -16.453 1.00 55.03 H new ATOM 0 HZ1 LYS A 405 -9.710 36.862 -17.173 1.00 54.22 H new ATOM 0 HZ2 LYS A 405 -10.053 36.979 -15.514 1.00 54.22 H new ATOM 0 HZ3 LYS A 405 -8.875 35.886 -16.063 1.00 54.22 H new ATOM 43 N ILE A 406 -9.844 31.191 -11.218 1.00 2.50 N ATOM 44 CA ILE A 406 -9.882 30.442 -9.968 1.00 32.31 C ATOM 45 C ILE A 406 -8.463 30.015 -9.543 1.00 22.54 C ATOM 46 O ILE A 406 -8.206 29.728 -8.375 1.00 35.44 O ATOM 47 CB ILE A 406 -10.827 29.197 -10.085 1.00 0.43 C ATOM 48 CG1 ILE A 406 -10.950 28.467 -8.734 1.00 33.21 C ATOM 49 CG2 ILE A 406 -10.341 28.243 -11.182 1.00 11.50 C ATOM 50 CD1 ILE A 406 -11.897 27.287 -8.753 1.00 4.52 C ATOM 0 H ILE A 406 -9.984 30.627 -12.056 1.00 2.50 H new ATOM 0 HA ILE A 406 -10.286 31.097 -9.196 1.00 32.31 H new ATOM 0 HB ILE A 406 -11.819 29.553 -10.364 1.00 0.43 H new ATOM 0 HG12 ILE A 406 -9.962 28.122 -8.429 1.00 33.21 H new ATOM 0 HG13 ILE A 406 -11.287 29.177 -7.979 1.00 33.21 H new ATOM 0 HG21 ILE A 406 -11.013 27.387 -11.244 1.00 11.50 H new ATOM 0 HG22 ILE A 406 -10.329 28.765 -12.139 1.00 11.50 H new ATOM 0 HG23 ILE A 406 -9.335 27.898 -10.944 1.00 11.50 H new ATOM 0 HD11 ILE A 406 -11.927 26.828 -7.765 1.00 4.52 H new ATOM 0 HD12 ILE A 406 -12.896 27.627 -9.026 1.00 4.52 H new ATOM 0 HD13 ILE A 406 -11.551 26.555 -9.482 1.00 4.52 H new ATOM 62 N GLU A 407 -7.544 30.048 -10.493 1.00 11.52 N ATOM 63 CA GLU A 407 -6.166 29.637 -10.275 1.00 42.45 C ATOM 64 C GLU A 407 -5.485 30.512 -9.179 1.00 61.52 C ATOM 65 O GLU A 407 -5.015 29.970 -8.179 1.00 44.43 O ATOM 66 CB GLU A 407 -5.413 29.584 -11.649 1.00 31.42 C ATOM 67 CG GLU A 407 -3.944 29.123 -11.655 1.00 15.22 C ATOM 68 CD GLU A 407 -2.971 30.149 -11.130 1.00 5.22 C ATOM 69 OE1 GLU A 407 -2.659 31.106 -11.880 1.00 14.01 O ATOM 70 OE2 GLU A 407 -2.490 30.014 -9.984 1.00 20.11 O ATOM 0 H GLU A 407 -7.734 30.363 -11.444 1.00 11.52 H new ATOM 0 HA GLU A 407 -6.128 28.625 -9.871 1.00 42.45 H new ATOM 0 HB2 GLU A 407 -5.973 28.922 -12.310 1.00 31.42 H new ATOM 0 HB3 GLU A 407 -5.451 30.581 -12.089 1.00 31.42 H new ATOM 0 HG2 GLU A 407 -3.857 28.217 -11.056 1.00 15.22 H new ATOM 0 HG3 GLU A 407 -3.662 28.860 -12.674 1.00 15.22 H new ATOM 77 N PRO A 408 -5.477 31.883 -9.310 1.00 44.12 N ATOM 78 CA PRO A 408 -4.892 32.771 -8.286 1.00 75.34 C ATOM 79 C PRO A 408 -5.658 32.734 -6.947 1.00 11.10 C ATOM 80 O PRO A 408 -5.210 33.306 -5.950 1.00 12.23 O ATOM 81 CB PRO A 408 -5.007 34.165 -8.914 1.00 24.52 C ATOM 82 CG PRO A 408 -6.111 34.033 -9.897 1.00 65.44 C ATOM 83 CD PRO A 408 -5.976 32.666 -10.458 1.00 32.22 C ATOM 0 HA PRO A 408 -3.873 32.472 -8.038 1.00 75.34 H new ATOM 0 HB2 PRO A 408 -5.231 34.923 -8.163 1.00 24.52 H new ATOM 0 HB3 PRO A 408 -4.076 34.462 -9.398 1.00 24.52 H new ATOM 0 HG2 PRO A 408 -7.081 34.168 -9.419 1.00 65.44 H new ATOM 0 HG3 PRO A 408 -6.033 34.788 -10.679 1.00 65.44 H new ATOM 0 HD2 PRO A 408 -6.929 32.284 -10.823 1.00 32.22 H new ATOM 0 HD3 PRO A 408 -5.280 32.641 -11.297 1.00 32.22 H new ATOM 91 N VAL A 409 -6.794 32.075 -6.929 1.00 2.32 N ATOM 92 CA VAL A 409 -7.609 31.973 -5.731 1.00 45.34 C ATOM 93 C VAL A 409 -7.109 30.830 -4.841 1.00 54.31 C ATOM 94 O VAL A 409 -7.248 30.871 -3.622 1.00 32.31 O ATOM 95 CB VAL A 409 -9.114 31.755 -6.093 1.00 41.12 C ATOM 96 CG1 VAL A 409 -9.981 31.631 -4.848 1.00 52.25 C ATOM 97 CG2 VAL A 409 -9.620 32.889 -6.970 1.00 14.41 C ATOM 0 H VAL A 409 -7.182 31.594 -7.740 1.00 2.32 H new ATOM 0 HA VAL A 409 -7.522 32.911 -5.183 1.00 45.34 H new ATOM 0 HB VAL A 409 -9.184 30.817 -6.644 1.00 41.12 H new ATOM 0 HG11 VAL A 409 -11.020 31.480 -5.142 1.00 52.25 H new ATOM 0 HG12 VAL A 409 -9.645 30.781 -4.254 1.00 52.25 H new ATOM 0 HG13 VAL A 409 -9.900 32.542 -4.256 1.00 52.25 H new ATOM 0 HG21 VAL A 409 -10.669 32.721 -7.212 1.00 14.41 H new ATOM 0 HG22 VAL A 409 -9.517 33.834 -6.437 1.00 14.41 H new ATOM 0 HG23 VAL A 409 -9.036 32.926 -7.890 1.00 14.41 H new ATOM 107 N VAL A 410 -6.484 29.840 -5.455 1.00 0.24 N ATOM 108 CA VAL A 410 -6.012 28.665 -4.731 1.00 53.51 C ATOM 109 C VAL A 410 -4.822 29.010 -3.820 1.00 44.23 C ATOM 110 O VAL A 410 -4.737 28.527 -2.683 1.00 4.34 O ATOM 111 CB VAL A 410 -5.609 27.523 -5.704 1.00 34.20 C ATOM 112 CG1 VAL A 410 -5.208 26.264 -4.942 1.00 63.51 C ATOM 113 CG2 VAL A 410 -6.737 27.223 -6.671 1.00 42.24 C ATOM 0 H VAL A 410 -6.290 29.824 -6.456 1.00 0.24 H new ATOM 0 HA VAL A 410 -6.840 28.321 -4.112 1.00 53.51 H new ATOM 0 HB VAL A 410 -4.743 27.860 -6.274 1.00 34.20 H new ATOM 0 HG11 VAL A 410 -4.931 25.483 -5.650 1.00 63.51 H new ATOM 0 HG12 VAL A 410 -4.359 26.485 -4.295 1.00 63.51 H new ATOM 0 HG13 VAL A 410 -6.047 25.923 -4.335 1.00 63.51 H new ATOM 0 HG21 VAL A 410 -6.435 26.421 -7.344 1.00 42.24 H new ATOM 0 HG22 VAL A 410 -7.622 26.916 -6.114 1.00 42.24 H new ATOM 0 HG23 VAL A 410 -6.966 28.117 -7.252 1.00 42.24 H new ATOM 123 N LEU A 411 -3.940 29.881 -4.311 1.00 54.52 N ATOM 124 CA LEU A 411 -2.719 30.271 -3.581 1.00 22.41 C ATOM 125 C LEU A 411 -2.968 30.736 -2.143 1.00 64.22 C ATOM 126 O LEU A 411 -2.404 30.150 -1.219 1.00 51.35 O ATOM 127 CB LEU A 411 -1.847 31.301 -4.331 1.00 4.40 C ATOM 128 CG LEU A 411 -1.140 30.829 -5.605 1.00 62.13 C ATOM 129 CD1 LEU A 411 -2.109 30.537 -6.727 1.00 23.34 C ATOM 130 CD2 LEU A 411 -0.084 31.819 -6.028 1.00 51.13 C ATOM 0 H LEU A 411 -4.044 30.336 -5.218 1.00 54.52 H new ATOM 0 HA LEU A 411 -2.157 29.339 -3.526 1.00 22.41 H new ATOM 0 HB2 LEU A 411 -2.478 32.151 -4.591 1.00 4.40 H new ATOM 0 HB3 LEU A 411 -1.088 31.667 -3.640 1.00 4.40 H new ATOM 0 HG LEU A 411 -0.647 29.885 -5.371 1.00 62.13 H new ATOM 0 HD11 LEU A 411 -1.558 30.206 -7.607 1.00 23.34 H new ATOM 0 HD12 LEU A 411 -2.800 29.754 -6.416 1.00 23.34 H new ATOM 0 HD13 LEU A 411 -2.669 31.440 -6.968 1.00 23.34 H new ATOM 0 HD21 LEU A 411 0.405 31.464 -6.935 1.00 51.13 H new ATOM 0 HD22 LEU A 411 -0.548 32.786 -6.221 1.00 51.13 H new ATOM 0 HD23 LEU A 411 0.655 31.924 -5.234 1.00 51.13 H new ATOM 142 N PRO A 412 -3.811 31.786 -1.906 1.00 14.23 N ATOM 143 CA PRO A 412 -4.060 32.274 -0.554 1.00 61.43 C ATOM 144 C PRO A 412 -4.725 31.219 0.334 1.00 65.11 C ATOM 145 O PRO A 412 -4.535 31.217 1.550 1.00 61.41 O ATOM 146 CB PRO A 412 -4.989 33.481 -0.747 1.00 4.22 C ATOM 147 CG PRO A 412 -5.580 33.299 -2.097 1.00 31.21 C ATOM 148 CD PRO A 412 -4.548 32.584 -2.910 1.00 43.12 C ATOM 0 HA PRO A 412 -3.129 32.529 -0.048 1.00 61.43 H new ATOM 0 HB2 PRO A 412 -5.762 33.511 0.021 1.00 4.22 H new ATOM 0 HB3 PRO A 412 -4.437 34.419 -0.681 1.00 4.22 H new ATOM 0 HG2 PRO A 412 -6.503 32.721 -2.044 1.00 31.21 H new ATOM 0 HG3 PRO A 412 -5.831 34.260 -2.545 1.00 31.21 H new ATOM 0 HD2 PRO A 412 -5.004 31.950 -3.670 1.00 43.12 H new ATOM 0 HD3 PRO A 412 -3.891 33.282 -3.429 1.00 43.12 H new ATOM 156 N LEU A 413 -5.470 30.304 -0.287 1.00 11.14 N ATOM 157 CA LEU A 413 -6.162 29.253 0.435 1.00 62.03 C ATOM 158 C LEU A 413 -5.178 28.226 0.978 1.00 71.42 C ATOM 159 O LEU A 413 -5.375 27.673 2.073 1.00 22.11 O ATOM 160 CB LEU A 413 -7.189 28.571 -0.455 1.00 50.22 C ATOM 161 CG LEU A 413 -8.306 29.463 -0.991 1.00 0.00 C ATOM 162 CD1 LEU A 413 -9.265 28.645 -1.803 1.00 64.01 C ATOM 163 CD2 LEU A 413 -9.040 30.173 0.141 1.00 61.21 C ATOM 0 H LEU A 413 -5.606 30.276 -1.298 1.00 11.14 H new ATOM 0 HA LEU A 413 -6.680 29.714 1.276 1.00 62.03 H new ATOM 0 HB2 LEU A 413 -6.668 28.126 -1.303 1.00 50.22 H new ATOM 0 HB3 LEU A 413 -7.641 27.753 0.106 1.00 50.22 H new ATOM 0 HG LEU A 413 -7.858 30.227 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 413 -10.060 29.287 -2.183 1.00 64.01 H new ATOM 0 HD12 LEU A 413 -8.736 28.189 -2.640 1.00 64.01 H new ATOM 0 HD13 LEU A 413 -9.697 27.864 -1.178 1.00 64.01 H new ATOM 0 HD21 LEU A 413 -9.829 30.800 -0.274 1.00 61.21 H new ATOM 0 HD22 LEU A 413 -9.479 29.433 0.811 1.00 61.21 H new ATOM 0 HD23 LEU A 413 -8.338 30.794 0.697 1.00 61.21 H new ATOM 175 N LEU A 414 -4.104 27.992 0.222 1.00 1.25 N ATOM 176 CA LEU A 414 -3.064 27.047 0.607 1.00 0.21 C ATOM 177 C LEU A 414 -2.376 27.507 1.895 1.00 14.14 C ATOM 178 O LEU A 414 -1.969 26.691 2.731 1.00 42.31 O ATOM 179 CB LEU A 414 -2.033 26.900 -0.522 1.00 22.01 C ATOM 180 CG LEU A 414 -0.910 25.886 -0.284 1.00 64.03 C ATOM 181 CD1 LEU A 414 -1.472 24.477 -0.158 1.00 15.42 C ATOM 182 CD2 LEU A 414 0.133 25.959 -1.388 1.00 3.12 C ATOM 0 H LEU A 414 -3.934 28.453 -0.672 1.00 1.25 H new ATOM 0 HA LEU A 414 -3.527 26.077 0.787 1.00 0.21 H new ATOM 0 HB2 LEU A 414 -2.561 26.619 -1.433 1.00 22.01 H new ATOM 0 HB3 LEU A 414 -1.581 27.875 -0.703 1.00 22.01 H new ATOM 0 HG LEU A 414 -0.420 26.140 0.656 1.00 64.03 H new ATOM 0 HD11 LEU A 414 -0.656 23.774 0.011 1.00 15.42 H new ATOM 0 HD12 LEU A 414 -2.166 24.436 0.681 1.00 15.42 H new ATOM 0 HD13 LEU A 414 -1.997 24.211 -1.076 1.00 15.42 H new ATOM 0 HD21 LEU A 414 0.919 25.229 -1.195 1.00 3.12 H new ATOM 0 HD22 LEU A 414 -0.337 25.741 -2.347 1.00 3.12 H new ATOM 0 HD23 LEU A 414 0.565 26.959 -1.414 1.00 3.12 H new ATOM 194 N TRP A 415 -2.288 28.821 2.064 1.00 64.33 N ATOM 195 CA TRP A 415 -1.678 29.410 3.248 1.00 65.31 C ATOM 196 C TRP A 415 -2.385 29.019 4.536 1.00 71.32 C ATOM 197 O TRP A 415 -1.751 28.906 5.576 1.00 71.42 O ATOM 198 CB TRP A 415 -1.581 30.925 3.140 1.00 71.41 C ATOM 199 CG TRP A 415 -0.535 31.406 2.185 1.00 4.35 C ATOM 200 CD1 TRP A 415 -0.663 31.606 0.845 1.00 35.12 C ATOM 201 CD2 TRP A 415 0.809 31.762 2.518 1.00 62.04 C ATOM 202 NE1 TRP A 415 0.521 32.061 0.323 1.00 52.21 N ATOM 203 CE2 TRP A 415 1.439 32.166 1.331 1.00 11.14 C ATOM 204 CE3 TRP A 415 1.540 31.775 3.710 1.00 14.03 C ATOM 205 CZ2 TRP A 415 2.762 32.579 1.297 1.00 23.23 C ATOM 206 CZ3 TRP A 415 2.856 32.188 3.676 1.00 32.13 C ATOM 207 CH2 TRP A 415 3.454 32.585 2.476 1.00 21.44 C ATOM 0 H TRP A 415 -2.635 29.503 1.389 1.00 64.33 H new ATOM 0 HA TRP A 415 -0.669 28.999 3.293 1.00 65.31 H new ATOM 0 HB2 TRP A 415 -2.549 31.319 2.830 1.00 71.41 H new ATOM 0 HB3 TRP A 415 -1.372 31.336 4.128 1.00 71.41 H new ATOM 0 HD1 TRP A 415 -1.564 31.432 0.276 1.00 35.12 H new ATOM 0 HE1 TRP A 415 0.689 32.285 -0.658 1.00 52.21 H new ATOM 0 HE3 TRP A 415 1.083 31.468 4.639 1.00 14.03 H new ATOM 0 HZ2 TRP A 415 3.229 32.885 0.373 1.00 23.23 H new ATOM 0 HZ3 TRP A 415 3.432 32.205 4.589 1.00 32.13 H new ATOM 0 HH2 TRP A 415 4.486 32.904 2.481 1.00 21.44 H new ATOM 218 N PHE A 416 -3.683 28.771 4.464 1.00 32.30 N ATOM 219 CA PHE A 416 -4.434 28.416 5.654 1.00 61.15 C ATOM 220 C PHE A 416 -4.097 27.012 6.066 1.00 30.02 C ATOM 221 O PHE A 416 -4.051 26.694 7.253 1.00 53.43 O ATOM 222 CB PHE A 416 -5.945 28.548 5.438 1.00 20.10 C ATOM 223 CG PHE A 416 -6.434 29.947 5.206 1.00 2.05 C ATOM 224 CD1 PHE A 416 -6.431 30.495 3.943 1.00 72.44 C ATOM 225 CD2 PHE A 416 -6.913 30.704 6.257 1.00 44.20 C ATOM 226 CE1 PHE A 416 -6.893 31.776 3.723 1.00 40.30 C ATOM 227 CE2 PHE A 416 -7.377 31.985 6.050 1.00 21.01 C ATOM 228 CZ PHE A 416 -7.367 32.521 4.779 1.00 64.14 C ATOM 0 H PHE A 416 -4.232 28.809 3.605 1.00 32.30 H new ATOM 0 HA PHE A 416 -4.153 29.112 6.445 1.00 61.15 H new ATOM 0 HB2 PHE A 416 -6.229 27.934 4.584 1.00 20.10 H new ATOM 0 HB3 PHE A 416 -6.458 28.140 6.309 1.00 20.10 H new ATOM 0 HD1 PHE A 416 -6.061 29.913 3.112 1.00 72.44 H new ATOM 0 HD2 PHE A 416 -6.924 30.287 7.253 1.00 44.20 H new ATOM 0 HE1 PHE A 416 -6.883 32.193 2.727 1.00 40.30 H new ATOM 0 HE2 PHE A 416 -7.747 32.568 6.881 1.00 21.01 H new ATOM 0 HZ PHE A 416 -7.731 33.524 4.613 1.00 64.14 H new ATOM 238 N GLU A 417 -3.798 26.196 5.081 1.00 64.12 N ATOM 239 CA GLU A 417 -3.525 24.812 5.292 1.00 32.52 C ATOM 240 C GLU A 417 -2.136 24.624 5.847 1.00 34.44 C ATOM 241 O GLU A 417 -1.948 23.935 6.852 1.00 30.20 O ATOM 242 CB GLU A 417 -3.689 24.051 3.991 1.00 30.12 C ATOM 243 CG GLU A 417 -3.352 22.580 4.122 1.00 75.14 C ATOM 244 CD GLU A 417 -3.595 21.792 2.879 1.00 3.12 C ATOM 245 OE1 GLU A 417 -4.419 20.860 2.917 1.00 60.14 O ATOM 246 OE2 GLU A 417 -2.956 22.065 1.858 1.00 51.22 O ATOM 0 H GLU A 417 -3.740 26.487 4.105 1.00 64.12 H new ATOM 0 HA GLU A 417 -4.235 24.420 6.020 1.00 32.52 H new ATOM 0 HB2 GLU A 417 -4.717 24.153 3.643 1.00 30.12 H new ATOM 0 HB3 GLU A 417 -3.049 24.499 3.231 1.00 30.12 H new ATOM 0 HG2 GLU A 417 -2.304 22.481 4.404 1.00 75.14 H new ATOM 0 HG3 GLU A 417 -3.942 22.153 4.933 1.00 75.14 H new ATOM 253 N GLN A 418 -1.168 25.257 5.214 1.00 52.01 N ATOM 254 CA GLN A 418 0.210 25.147 5.647 1.00 53.54 C ATOM 255 C GLN A 418 0.413 25.793 7.019 1.00 11.30 C ATOM 256 O GLN A 418 1.293 25.394 7.778 1.00 14.22 O ATOM 257 CB GLN A 418 1.165 25.733 4.608 1.00 12.10 C ATOM 258 CG GLN A 418 0.939 27.198 4.306 1.00 73.22 C ATOM 259 CD GLN A 418 1.928 27.745 3.302 1.00 11.13 C ATOM 260 OE1 GLN A 418 1.696 27.707 2.097 1.00 42.42 O ATOM 261 NE2 GLN A 418 3.030 28.251 3.785 1.00 30.01 N ATOM 0 H GLN A 418 -1.311 25.853 4.398 1.00 52.01 H new ATOM 0 HA GLN A 418 0.443 24.087 5.746 1.00 53.54 H new ATOM 0 HB2 GLN A 418 2.189 25.601 4.958 1.00 12.10 H new ATOM 0 HB3 GLN A 418 1.069 25.165 3.683 1.00 12.10 H new ATOM 0 HG2 GLN A 418 -0.073 27.334 3.925 1.00 73.22 H new ATOM 0 HG3 GLN A 418 1.011 27.771 5.230 1.00 73.22 H new ATOM 0 HE21 GLN A 418 3.186 28.264 4.793 1.00 30.01 H new ATOM 0 HE22 GLN A 418 3.735 28.633 3.155 1.00 30.01 H new ATOM 270 N SER A 419 -0.418 26.763 7.338 1.00 52.21 N ATOM 271 CA SER A 419 -0.347 27.432 8.614 1.00 4.33 C ATOM 272 C SER A 419 -1.128 26.645 9.673 1.00 33.34 C ATOM 273 O SER A 419 -0.814 26.710 10.863 1.00 73.21 O ATOM 274 CB SER A 419 -0.897 28.867 8.486 1.00 71.21 C ATOM 275 OG SER A 419 -0.766 29.606 9.697 1.00 21.12 O ATOM 0 H SER A 419 -1.156 27.106 6.723 1.00 52.21 H new ATOM 0 HA SER A 419 0.695 27.485 8.929 1.00 4.33 H new ATOM 0 HB2 SER A 419 -0.368 29.387 7.687 1.00 71.21 H new ATOM 0 HB3 SER A 419 -1.948 28.827 8.199 1.00 71.21 H new ATOM 0 HG SER A 419 -1.125 30.509 9.570 1.00 21.12 H new ATOM 281 N GLY A 420 -2.115 25.874 9.230 1.00 12.12 N ATOM 282 CA GLY A 420 -2.984 25.189 10.159 1.00 22.12 C ATOM 283 C GLY A 420 -3.853 26.202 10.858 1.00 71.13 C ATOM 284 O GLY A 420 -4.094 26.119 12.061 1.00 32.00 O ATOM 0 H GLY A 420 -2.326 25.713 8.245 1.00 12.12 H new ATOM 0 HA2 GLY A 420 -3.602 24.463 9.631 1.00 22.12 H new ATOM 0 HA3 GLY A 420 -2.393 24.634 10.887 1.00 22.12 H new ATOM 288 N ALA A 421 -4.336 27.151 10.082 1.00 11.54 N ATOM 289 CA ALA A 421 -5.071 28.297 10.585 1.00 42.41 C ATOM 290 C ALA A 421 -6.412 27.914 11.208 1.00 14.51 C ATOM 291 O ALA A 421 -6.902 28.592 12.110 1.00 54.14 O ATOM 292 CB ALA A 421 -5.241 29.313 9.476 1.00 5.01 C ATOM 0 H ALA A 421 -4.228 27.149 9.068 1.00 11.54 H new ATOM 0 HA ALA A 421 -4.489 28.741 11.393 1.00 42.41 H new ATOM 0 HB1 ALA A 421 -5.793 30.174 9.853 1.00 5.01 H new ATOM 0 HB2 ALA A 421 -4.261 29.636 9.125 1.00 5.01 H new ATOM 0 HB3 ALA A 421 -5.792 28.862 8.651 1.00 5.01 H new ATOM 298 N MET A 422 -7.004 26.850 10.723 1.00 30.12 N ATOM 299 CA MET A 422 -8.253 26.353 11.288 1.00 33.23 C ATOM 300 C MET A 422 -7.954 25.072 12.098 1.00 44.12 C ATOM 301 O MET A 422 -8.852 24.336 12.522 1.00 62.43 O ATOM 302 CB MET A 422 -9.277 26.066 10.165 1.00 70.33 C ATOM 303 CG MET A 422 -10.687 25.732 10.663 1.00 55.43 C ATOM 304 SD MET A 422 -11.838 25.327 9.333 1.00 2.25 S ATOM 305 CE MET A 422 -11.080 23.848 8.668 1.00 64.21 C ATOM 0 H MET A 422 -6.648 26.305 9.938 1.00 30.12 H new ATOM 0 HA MET A 422 -8.686 27.106 11.946 1.00 33.23 H new ATOM 0 HB2 MET A 422 -9.333 26.936 9.510 1.00 70.33 H new ATOM 0 HB3 MET A 422 -8.912 25.235 9.561 1.00 70.33 H new ATOM 0 HG2 MET A 422 -10.631 24.891 11.354 1.00 55.43 H new ATOM 0 HG3 MET A 422 -11.077 26.581 11.225 1.00 55.43 H new ATOM 0 HE1 MET A 422 -11.788 23.339 8.013 1.00 64.21 H new ATOM 0 HE2 MET A 422 -10.190 24.119 8.100 1.00 64.21 H new ATOM 0 HE3 MET A 422 -10.800 23.184 9.485 1.00 64.21 H new ATOM 315 N GLY A 423 -6.677 24.832 12.328 1.00 13.21 N ATOM 316 CA GLY A 423 -6.248 23.648 13.049 1.00 73.41 C ATOM 317 C GLY A 423 -5.915 22.496 12.117 1.00 23.43 C ATOM 318 O GLY A 423 -5.686 21.364 12.567 1.00 1.23 O ATOM 0 H GLY A 423 -5.917 25.442 12.026 1.00 13.21 H new ATOM 0 HA2 GLY A 423 -5.373 23.890 13.652 1.00 73.41 H new ATOM 0 HA3 GLY A 423 -7.034 23.340 13.738 1.00 73.41 H new ATOM 322 N GLY A 424 -5.895 22.781 10.828 1.00 75.11 N ATOM 323 CA GLY A 424 -5.602 21.777 9.831 1.00 42.01 C ATOM 324 C GLY A 424 -6.060 22.232 8.469 1.00 3.34 C ATOM 325 O GLY A 424 -5.493 23.171 7.910 1.00 20.22 O ATOM 0 H GLY A 424 -6.080 23.709 10.448 1.00 75.11 H new ATOM 0 HA2 GLY A 424 -4.531 21.577 9.812 1.00 42.01 H new ATOM 0 HA3 GLY A 424 -6.096 20.841 10.093 1.00 42.01 H new ATOM 329 N LYS A 425 -7.090 21.591 7.939 1.00 43.52 N ATOM 330 CA LYS A 425 -7.672 21.970 6.652 1.00 44.24 C ATOM 331 C LYS A 425 -9.055 21.338 6.521 1.00 23.15 C ATOM 332 O LYS A 425 -9.313 20.291 7.125 1.00 51.34 O ATOM 333 CB LYS A 425 -6.785 21.530 5.440 1.00 40.03 C ATOM 334 CG LYS A 425 -6.693 20.004 5.167 1.00 51.43 C ATOM 335 CD LYS A 425 -5.926 19.226 6.235 1.00 52.31 C ATOM 336 CE LYS A 425 -4.446 19.587 6.259 1.00 74.24 C ATOM 337 NZ LYS A 425 -3.775 19.262 4.983 1.00 20.13 N ATOM 0 H LYS A 425 -7.548 20.795 8.384 1.00 43.52 H new ATOM 0 HA LYS A 425 -7.739 23.058 6.629 1.00 44.24 H new ATOM 0 HB2 LYS A 425 -7.169 22.015 4.542 1.00 40.03 H new ATOM 0 HB3 LYS A 425 -5.776 21.909 5.600 1.00 40.03 H new ATOM 0 HG2 LYS A 425 -7.702 19.598 5.090 1.00 51.43 H new ATOM 0 HG3 LYS A 425 -6.212 19.846 4.202 1.00 51.43 H new ATOM 0 HD2 LYS A 425 -6.363 19.427 7.213 1.00 52.31 H new ATOM 0 HD3 LYS A 425 -6.034 18.157 6.051 1.00 52.31 H new ATOM 0 HE2 LYS A 425 -4.336 20.652 6.465 1.00 74.24 H new ATOM 0 HE3 LYS A 425 -3.956 19.052 7.073 1.00 74.24 H new ATOM 0 HZ1 LYS A 425 -2.753 19.428 5.076 1.00 20.13 H new ATOM 0 HZ2 LYS A 425 -3.943 18.263 4.747 1.00 20.13 H new ATOM 0 HZ3 LYS A 425 -4.156 19.866 4.227 1.00 20.13 H new ATOM 351 N PRO A 426 -9.980 21.959 5.776 1.00 62.11 N ATOM 352 CA PRO A 426 -11.284 21.368 5.532 1.00 54.22 C ATOM 353 C PRO A 426 -11.168 20.185 4.561 1.00 51.04 C ATOM 354 O PRO A 426 -11.021 20.363 3.348 1.00 3.52 O ATOM 355 CB PRO A 426 -12.104 22.511 4.928 1.00 64.32 C ATOM 356 CG PRO A 426 -11.092 23.423 4.314 1.00 61.23 C ATOM 357 CD PRO A 426 -9.840 23.289 5.138 1.00 33.54 C ATOM 0 HA PRO A 426 -11.744 20.966 6.435 1.00 54.22 H new ATOM 0 HB2 PRO A 426 -12.808 22.142 4.182 1.00 64.32 H new ATOM 0 HB3 PRO A 426 -12.688 23.025 5.691 1.00 64.32 H new ATOM 0 HG2 PRO A 426 -10.904 23.151 3.276 1.00 61.23 H new ATOM 0 HG3 PRO A 426 -11.448 24.453 4.314 1.00 61.23 H new ATOM 0 HD2 PRO A 426 -8.945 23.344 4.518 1.00 33.54 H new ATOM 0 HD3 PRO A 426 -9.762 24.083 5.881 1.00 33.54 H new ATOM 365 N LEU A 427 -11.198 18.987 5.112 1.00 33.11 N ATOM 366 CA LEU A 427 -11.015 17.758 4.343 1.00 54.33 C ATOM 367 C LEU A 427 -12.089 17.600 3.300 1.00 12.50 C ATOM 368 O LEU A 427 -11.805 17.216 2.157 1.00 13.34 O ATOM 369 CB LEU A 427 -10.993 16.537 5.262 1.00 53.21 C ATOM 370 CG LEU A 427 -9.867 16.489 6.294 1.00 50.31 C ATOM 371 CD1 LEU A 427 -9.997 15.251 7.158 1.00 70.54 C ATOM 372 CD2 LEU A 427 -8.508 16.513 5.609 1.00 61.22 C ATOM 0 H LEU A 427 -11.350 18.832 6.109 1.00 33.11 H new ATOM 0 HA LEU A 427 -10.053 17.831 3.836 1.00 54.33 H new ATOM 0 HB2 LEU A 427 -11.945 16.489 5.791 1.00 53.21 H new ATOM 0 HB3 LEU A 427 -10.928 15.643 4.642 1.00 53.21 H new ATOM 0 HG LEU A 427 -9.947 17.371 6.930 1.00 50.31 H new ATOM 0 HD11 LEU A 427 -9.188 15.230 7.888 1.00 70.54 H new ATOM 0 HD12 LEU A 427 -10.955 15.269 7.678 1.00 70.54 H new ATOM 0 HD13 LEU A 427 -9.942 14.362 6.530 1.00 70.54 H new ATOM 0 HD21 LEU A 427 -7.720 16.478 6.362 1.00 61.22 H new ATOM 0 HD22 LEU A 427 -8.418 15.650 4.949 1.00 61.22 H new ATOM 0 HD23 LEU A 427 -8.411 17.428 5.025 1.00 61.22 H new ATOM 384 N SER A 428 -13.311 17.932 3.683 1.00 44.02 N ATOM 385 CA SER A 428 -14.454 17.841 2.806 1.00 63.32 C ATOM 386 C SER A 428 -14.237 18.639 1.524 1.00 34.53 C ATOM 387 O SER A 428 -14.631 18.207 0.444 1.00 2.24 O ATOM 388 CB SER A 428 -15.713 18.288 3.548 1.00 4.12 C ATOM 389 OG SER A 428 -15.906 17.483 4.711 1.00 21.52 O ATOM 0 H SER A 428 -13.533 18.274 4.618 1.00 44.02 H new ATOM 0 HA SER A 428 -14.584 16.801 2.507 1.00 63.32 H new ATOM 0 HB2 SER A 428 -15.625 19.337 3.832 1.00 4.12 H new ATOM 0 HB3 SER A 428 -16.580 18.207 2.892 1.00 4.12 H new ATOM 0 HG SER A 428 -16.714 17.777 5.182 1.00 21.52 H new ATOM 395 N THR A 429 -13.555 19.755 1.647 1.00 13.24 N ATOM 396 CA THR A 429 -13.266 20.602 0.529 1.00 23.41 C ATOM 397 C THR A 429 -12.307 19.897 -0.447 1.00 71.03 C ATOM 398 O THR A 429 -12.571 19.823 -1.651 1.00 61.15 O ATOM 399 CB THR A 429 -12.662 21.923 1.034 1.00 70.12 C ATOM 400 OG1 THR A 429 -13.577 22.508 1.971 1.00 30.30 O ATOM 401 CG2 THR A 429 -12.423 22.899 -0.101 1.00 4.15 C ATOM 0 H THR A 429 -13.186 20.096 2.535 1.00 13.24 H new ATOM 0 HA THR A 429 -14.189 20.818 -0.009 1.00 23.41 H new ATOM 0 HB THR A 429 -11.700 21.711 1.501 1.00 70.12 H new ATOM 0 HG1 THR A 429 -13.208 23.352 2.306 1.00 30.30 H new ATOM 0 HG21 THR A 429 -11.996 23.820 0.295 1.00 4.15 H new ATOM 0 HG22 THR A 429 -11.732 22.459 -0.820 1.00 4.15 H new ATOM 0 HG23 THR A 429 -13.369 23.121 -0.595 1.00 4.15 H new ATOM 409 N PHE A 430 -11.232 19.340 0.087 1.00 72.22 N ATOM 410 CA PHE A 430 -10.239 18.673 -0.732 1.00 61.41 C ATOM 411 C PHE A 430 -10.749 17.393 -1.390 1.00 52.43 C ATOM 412 O PHE A 430 -10.523 17.194 -2.573 1.00 1.21 O ATOM 413 CB PHE A 430 -8.930 18.464 0.022 1.00 54.24 C ATOM 414 CG PHE A 430 -8.280 19.767 0.367 1.00 42.45 C ATOM 415 CD1 PHE A 430 -7.421 20.381 -0.526 1.00 15.01 C ATOM 416 CD2 PHE A 430 -8.549 20.389 1.563 1.00 15.21 C ATOM 417 CE1 PHE A 430 -6.841 21.594 -0.223 1.00 43.03 C ATOM 418 CE2 PHE A 430 -7.976 21.597 1.876 1.00 74.33 C ATOM 419 CZ PHE A 430 -7.119 22.206 0.983 1.00 60.22 C ATOM 0 H PHE A 430 -11.027 19.338 1.086 1.00 72.22 H new ATOM 0 HA PHE A 430 -10.028 19.351 -1.559 1.00 61.41 H new ATOM 0 HB2 PHE A 430 -9.121 17.899 0.934 1.00 54.24 H new ATOM 0 HB3 PHE A 430 -8.250 17.867 -0.586 1.00 54.24 H new ATOM 0 HD1 PHE A 430 -7.202 19.905 -1.471 1.00 15.01 H new ATOM 0 HD2 PHE A 430 -9.221 19.921 2.267 1.00 15.21 H new ATOM 0 HE1 PHE A 430 -6.171 22.065 -0.927 1.00 43.03 H new ATOM 0 HE2 PHE A 430 -8.196 22.070 2.821 1.00 74.33 H new ATOM 0 HZ PHE A 430 -6.668 23.157 1.226 1.00 60.22 H new ATOM 429 N TYR A 431 -11.462 16.531 -0.657 1.00 42.04 N ATOM 430 CA TYR A 431 -11.988 15.328 -1.302 1.00 5.44 C ATOM 431 C TYR A 431 -13.050 15.627 -2.360 1.00 5.34 C ATOM 432 O TYR A 431 -13.169 14.897 -3.339 1.00 13.32 O ATOM 433 CB TYR A 431 -12.308 14.110 -0.382 1.00 20.31 C ATOM 434 CG TYR A 431 -13.286 14.319 0.749 1.00 72.30 C ATOM 435 CD1 TYR A 431 -14.642 14.476 0.512 1.00 61.32 C ATOM 436 CD2 TYR A 431 -12.848 14.319 2.065 1.00 53.11 C ATOM 437 CE1 TYR A 431 -15.527 14.642 1.553 1.00 35.22 C ATOM 438 CE2 TYR A 431 -13.725 14.483 3.109 1.00 64.13 C ATOM 439 CZ TYR A 431 -15.064 14.644 2.848 1.00 61.35 C ATOM 440 OH TYR A 431 -15.942 14.834 3.889 1.00 60.23 O ATOM 0 H TYR A 431 -11.680 16.635 0.334 1.00 42.04 H new ATOM 0 HA TYR A 431 -11.122 14.948 -1.845 1.00 5.44 H new ATOM 0 HB2 TYR A 431 -12.691 13.307 -1.011 1.00 20.31 H new ATOM 0 HB3 TYR A 431 -11.370 13.759 0.047 1.00 20.31 H new ATOM 0 HD1 TYR A 431 -15.010 14.468 -0.503 1.00 61.32 H new ATOM 0 HD2 TYR A 431 -11.796 14.187 2.273 1.00 53.11 H new ATOM 0 HE1 TYR A 431 -16.581 14.770 1.354 1.00 35.22 H new ATOM 0 HE2 TYR A 431 -13.365 14.485 4.127 1.00 64.13 H new ATOM 0 HH TYR A 431 -15.861 15.752 4.222 1.00 60.23 H new ATOM 450 N THR A 432 -13.824 16.702 -2.158 1.00 0.10 N ATOM 451 CA THR A 432 -14.774 17.158 -3.181 1.00 13.30 C ATOM 452 C THR A 432 -14.009 17.465 -4.493 1.00 2.54 C ATOM 453 O THR A 432 -14.455 17.085 -5.597 1.00 61.30 O ATOM 454 CB THR A 432 -15.549 18.428 -2.720 1.00 34.52 C ATOM 455 OG1 THR A 432 -16.318 18.133 -1.535 1.00 61.22 O ATOM 456 CG2 THR A 432 -16.482 18.936 -3.815 1.00 12.03 C ATOM 0 H THR A 432 -13.812 17.265 -1.308 1.00 0.10 H new ATOM 0 HA THR A 432 -15.501 16.363 -3.346 1.00 13.30 H new ATOM 0 HB THR A 432 -14.817 19.205 -2.502 1.00 34.52 H new ATOM 0 HG1 THR A 432 -15.736 18.177 -0.748 1.00 61.22 H new ATOM 0 HG21 THR A 432 -17.008 19.823 -3.462 1.00 12.03 H new ATOM 0 HG22 THR A 432 -15.900 19.188 -4.701 1.00 12.03 H new ATOM 0 HG23 THR A 432 -17.206 18.160 -4.065 1.00 12.03 H new ATOM 464 N GLN A 433 -12.846 18.118 -4.352 1.00 2.13 N ATOM 465 CA GLN A 433 -11.978 18.427 -5.485 1.00 51.43 C ATOM 466 C GLN A 433 -11.505 17.147 -6.142 1.00 65.13 C ATOM 467 O GLN A 433 -11.480 17.040 -7.349 1.00 4.33 O ATOM 468 CB GLN A 433 -10.749 19.222 -5.032 1.00 25.33 C ATOM 469 CG GLN A 433 -11.045 20.582 -4.443 1.00 34.21 C ATOM 470 CD GLN A 433 -9.793 21.287 -3.954 1.00 11.43 C ATOM 471 OE1 GLN A 433 -8.700 21.081 -4.474 1.00 53.11 O ATOM 472 NE2 GLN A 433 -9.946 22.133 -2.969 1.00 33.44 N ATOM 0 H GLN A 433 -12.487 18.442 -3.454 1.00 2.13 H new ATOM 0 HA GLN A 433 -12.555 19.023 -6.192 1.00 51.43 H new ATOM 0 HB2 GLN A 433 -10.207 18.633 -4.292 1.00 25.33 H new ATOM 0 HB3 GLN A 433 -10.084 19.350 -5.886 1.00 25.33 H new ATOM 0 HG2 GLN A 433 -11.537 21.201 -5.194 1.00 34.21 H new ATOM 0 HG3 GLN A 433 -11.744 20.471 -3.614 1.00 34.21 H new ATOM 0 HE21 GLN A 433 -10.869 22.279 -2.561 1.00 33.44 H new ATOM 0 HE22 GLN A 433 -9.142 22.647 -2.609 1.00 33.44 H new ATOM 481 N LEU A 434 -11.150 16.183 -5.329 1.00 12.40 N ATOM 482 CA LEU A 434 -10.629 14.919 -5.815 1.00 2.40 C ATOM 483 C LEU A 434 -11.656 14.173 -6.673 1.00 54.15 C ATOM 484 O LEU A 434 -11.307 13.585 -7.680 1.00 61.13 O ATOM 485 CB LEU A 434 -10.157 14.047 -4.651 1.00 1.42 C ATOM 486 CG LEU A 434 -9.121 14.682 -3.718 1.00 63.43 C ATOM 487 CD1 LEU A 434 -8.683 13.707 -2.643 1.00 11.25 C ATOM 488 CD2 LEU A 434 -7.925 15.216 -4.492 1.00 65.02 C ATOM 0 H LEU A 434 -11.212 16.247 -4.313 1.00 12.40 H new ATOM 0 HA LEU A 434 -9.773 15.140 -6.452 1.00 2.40 H new ATOM 0 HB2 LEU A 434 -11.027 13.764 -4.058 1.00 1.42 H new ATOM 0 HB3 LEU A 434 -9.736 13.128 -5.058 1.00 1.42 H new ATOM 0 HG LEU A 434 -9.599 15.530 -3.228 1.00 63.43 H new ATOM 0 HD11 LEU A 434 -7.948 14.185 -1.996 1.00 11.25 H new ATOM 0 HD12 LEU A 434 -9.547 13.407 -2.050 1.00 11.25 H new ATOM 0 HD13 LEU A 434 -8.239 12.827 -3.109 1.00 11.25 H new ATOM 0 HD21 LEU A 434 -7.211 15.659 -3.798 1.00 65.02 H new ATOM 0 HD22 LEU A 434 -7.447 14.399 -5.032 1.00 65.02 H new ATOM 0 HD23 LEU A 434 -8.259 15.973 -5.201 1.00 65.02 H new ATOM 500 N VAL A 435 -12.931 14.248 -6.287 1.00 23.13 N ATOM 501 CA VAL A 435 -14.023 13.563 -7.014 1.00 4.53 C ATOM 502 C VAL A 435 -14.094 13.999 -8.490 1.00 33.43 C ATOM 503 O VAL A 435 -14.384 13.196 -9.381 1.00 3.42 O ATOM 504 CB VAL A 435 -15.409 13.816 -6.332 1.00 21.43 C ATOM 505 CG1 VAL A 435 -16.548 13.159 -7.105 1.00 64.04 C ATOM 506 CG2 VAL A 435 -15.403 13.314 -4.902 1.00 25.01 C ATOM 0 H VAL A 435 -13.243 14.777 -5.472 1.00 23.13 H new ATOM 0 HA VAL A 435 -13.796 12.498 -6.978 1.00 4.53 H new ATOM 0 HB VAL A 435 -15.575 14.893 -6.333 1.00 21.43 H new ATOM 0 HG11 VAL A 435 -17.493 13.358 -6.599 1.00 64.04 H new ATOM 0 HG12 VAL A 435 -16.584 13.566 -8.115 1.00 64.04 H new ATOM 0 HG13 VAL A 435 -16.382 12.083 -7.153 1.00 64.04 H new ATOM 0 HG21 VAL A 435 -16.376 13.500 -4.447 1.00 25.01 H new ATOM 0 HG22 VAL A 435 -15.197 12.244 -4.893 1.00 25.01 H new ATOM 0 HG23 VAL A 435 -14.632 13.837 -4.336 1.00 25.01 H new ATOM 516 N LEU A 436 -13.798 15.251 -8.744 1.00 62.14 N ATOM 517 CA LEU A 436 -13.876 15.801 -10.085 1.00 1.40 C ATOM 518 C LEU A 436 -12.547 15.717 -10.804 1.00 45.33 C ATOM 519 O LEU A 436 -12.447 15.963 -12.015 1.00 72.42 O ATOM 520 CB LEU A 436 -14.351 17.255 -10.006 1.00 23.43 C ATOM 521 CG LEU A 436 -13.516 18.222 -9.180 1.00 45.11 C ATOM 522 CD1 LEU A 436 -12.289 18.725 -9.913 1.00 13.14 C ATOM 523 CD2 LEU A 436 -14.354 19.331 -8.724 1.00 35.23 C ATOM 0 H LEU A 436 -13.497 15.918 -8.034 1.00 62.14 H new ATOM 0 HA LEU A 436 -14.590 15.210 -10.659 1.00 1.40 H new ATOM 0 HB2 LEU A 436 -14.411 17.645 -11.022 1.00 23.43 H new ATOM 0 HB3 LEU A 436 -15.364 17.257 -9.604 1.00 23.43 H new ATOM 0 HG LEU A 436 -13.139 17.673 -8.317 1.00 45.11 H new ATOM 0 HD11 LEU A 436 -11.737 19.410 -9.270 1.00 13.14 H new ATOM 0 HD12 LEU A 436 -11.651 17.881 -10.177 1.00 13.14 H new ATOM 0 HD13 LEU A 436 -12.595 19.246 -10.820 1.00 13.14 H new ATOM 0 HD21 LEU A 436 -13.753 20.022 -8.133 1.00 35.23 H new ATOM 0 HD22 LEU A 436 -14.765 19.855 -9.587 1.00 35.23 H new ATOM 0 HD23 LEU A 436 -15.169 18.944 -8.112 1.00 35.23 H new ATOM 535 N MET A 437 -11.534 15.358 -10.071 1.00 33.13 N ATOM 536 CA MET A 437 -10.190 15.446 -10.543 1.00 41.15 C ATOM 537 C MET A 437 -9.706 14.097 -11.082 1.00 21.41 C ATOM 538 O MET A 437 -9.701 13.097 -10.360 1.00 43.20 O ATOM 539 CB MET A 437 -9.336 15.952 -9.393 1.00 60.24 C ATOM 540 CG MET A 437 -7.952 16.410 -9.760 1.00 71.43 C ATOM 541 SD MET A 437 -7.109 17.166 -8.353 1.00 10.12 S ATOM 542 CE MET A 437 -8.256 18.517 -7.955 1.00 2.21 C ATOM 0 H MET A 437 -11.622 14.994 -9.122 1.00 33.13 H new ATOM 0 HA MET A 437 -10.118 16.140 -11.380 1.00 41.15 H new ATOM 0 HB2 MET A 437 -9.858 16.781 -8.915 1.00 60.24 H new ATOM 0 HB3 MET A 437 -9.251 15.158 -8.651 1.00 60.24 H new ATOM 0 HG2 MET A 437 -7.371 15.561 -10.121 1.00 71.43 H new ATOM 0 HG3 MET A 437 -8.010 17.127 -10.579 1.00 71.43 H new ATOM 0 HE1 MET A 437 -7.746 19.258 -7.339 1.00 2.21 H new ATOM 0 HE2 MET A 437 -8.599 18.986 -8.877 1.00 2.21 H new ATOM 0 HE3 MET A 437 -9.112 18.119 -7.410 1.00 2.21 H new ATOM 552 N PRO A 438 -9.294 14.072 -12.375 1.00 32.15 N ATOM 553 CA PRO A 438 -8.859 12.854 -13.100 1.00 30.23 C ATOM 554 C PRO A 438 -7.882 11.940 -12.341 1.00 11.40 C ATOM 555 O PRO A 438 -7.866 10.723 -12.568 1.00 51.04 O ATOM 556 CB PRO A 438 -8.179 13.417 -14.344 1.00 74.04 C ATOM 557 CG PRO A 438 -8.894 14.689 -14.611 1.00 24.40 C ATOM 558 CD PRO A 438 -9.238 15.260 -13.263 1.00 15.25 C ATOM 0 HA PRO A 438 -9.716 12.205 -13.282 1.00 30.23 H new ATOM 0 HB2 PRO A 438 -7.116 13.587 -14.173 1.00 74.04 H new ATOM 0 HB3 PRO A 438 -8.261 12.731 -15.187 1.00 74.04 H new ATOM 0 HG2 PRO A 438 -8.268 15.377 -15.178 1.00 24.40 H new ATOM 0 HG3 PRO A 438 -9.793 14.515 -15.202 1.00 24.40 H new ATOM 0 HD2 PRO A 438 -8.486 15.974 -12.928 1.00 15.25 H new ATOM 0 HD3 PRO A 438 -10.191 15.788 -13.284 1.00 15.25 H new ATOM 566 N GLN A 439 -7.079 12.516 -11.450 1.00 73.01 N ATOM 567 CA GLN A 439 -6.076 11.756 -10.700 1.00 70.13 C ATOM 568 C GLN A 439 -6.672 10.562 -9.946 1.00 75.40 C ATOM 569 O GLN A 439 -6.061 9.505 -9.899 1.00 72.41 O ATOM 570 CB GLN A 439 -5.278 12.646 -9.740 1.00 4.20 C ATOM 571 CG GLN A 439 -6.100 13.292 -8.640 1.00 12.13 C ATOM 572 CD GLN A 439 -5.263 14.119 -7.684 1.00 25.25 C ATOM 573 OE1 GLN A 439 -5.589 14.239 -6.516 1.00 40.24 O ATOM 574 NE2 GLN A 439 -4.186 14.698 -8.169 1.00 44.14 N ATOM 0 H GLN A 439 -7.102 13.511 -11.227 1.00 73.01 H new ATOM 0 HA GLN A 439 -5.392 11.360 -11.450 1.00 70.13 H new ATOM 0 HB2 GLN A 439 -4.490 12.048 -9.282 1.00 4.20 H new ATOM 0 HB3 GLN A 439 -4.788 13.431 -10.317 1.00 4.20 H new ATOM 0 HG2 GLN A 439 -6.863 13.928 -9.090 1.00 12.13 H new ATOM 0 HG3 GLN A 439 -6.621 12.516 -8.080 1.00 12.13 H new ATOM 0 HE21 GLN A 439 -3.941 14.578 -9.152 1.00 44.14 H new ATOM 0 HE22 GLN A 439 -3.596 15.267 -7.562 1.00 44.14 H new ATOM 583 N VAL A 440 -7.882 10.714 -9.403 1.00 23.11 N ATOM 584 CA VAL A 440 -8.501 9.626 -8.637 1.00 31.12 C ATOM 585 C VAL A 440 -8.798 8.415 -9.513 1.00 4.11 C ATOM 586 O VAL A 440 -8.782 7.278 -9.042 1.00 73.13 O ATOM 587 CB VAL A 440 -9.749 10.054 -7.820 1.00 35.41 C ATOM 588 CG1 VAL A 440 -9.378 11.107 -6.795 1.00 71.13 C ATOM 589 CG2 VAL A 440 -10.874 10.540 -8.717 1.00 71.35 C ATOM 0 H VAL A 440 -8.445 11.562 -9.476 1.00 23.11 H new ATOM 0 HA VAL A 440 -7.753 9.338 -7.898 1.00 31.12 H new ATOM 0 HB VAL A 440 -10.117 9.173 -7.294 1.00 35.41 H new ATOM 0 HG11 VAL A 440 -10.266 11.395 -6.232 1.00 71.13 H new ATOM 0 HG12 VAL A 440 -8.630 10.703 -6.113 1.00 71.13 H new ATOM 0 HG13 VAL A 440 -8.971 11.981 -7.303 1.00 71.13 H new ATOM 0 HG21 VAL A 440 -11.728 10.830 -8.105 1.00 71.35 H new ATOM 0 HG22 VAL A 440 -10.533 11.399 -9.295 1.00 71.35 H new ATOM 0 HG23 VAL A 440 -11.169 9.740 -9.396 1.00 71.35 H new ATOM 599 N LEU A 441 -9.062 8.663 -10.789 1.00 45.31 N ATOM 600 CA LEU A 441 -9.267 7.592 -11.750 1.00 41.14 C ATOM 601 C LEU A 441 -7.957 6.849 -11.994 1.00 60.11 C ATOM 602 O LEU A 441 -7.951 5.657 -12.269 1.00 63.30 O ATOM 603 CB LEU A 441 -9.884 8.076 -13.080 1.00 34.13 C ATOM 604 CG LEU A 441 -11.324 8.641 -13.050 1.00 21.23 C ATOM 605 CD1 LEU A 441 -12.295 7.667 -12.401 1.00 73.53 C ATOM 606 CD2 LEU A 441 -11.394 10.013 -12.399 1.00 30.10 C ATOM 0 H LEU A 441 -9.139 9.601 -11.182 1.00 45.31 H new ATOM 0 HA LEU A 441 -9.995 6.909 -11.313 1.00 41.14 H new ATOM 0 HB2 LEU A 441 -9.231 8.847 -13.490 1.00 34.13 H new ATOM 0 HB3 LEU A 441 -9.868 7.240 -13.779 1.00 34.13 H new ATOM 0 HG LEU A 441 -11.630 8.769 -14.088 1.00 21.23 H new ATOM 0 HD11 LEU A 441 -13.296 8.099 -12.398 1.00 73.53 H new ATOM 0 HD12 LEU A 441 -12.304 6.733 -12.963 1.00 73.53 H new ATOM 0 HD13 LEU A 441 -11.982 7.470 -11.376 1.00 73.53 H new ATOM 0 HD21 LEU A 441 -12.425 10.365 -12.403 1.00 30.10 H new ATOM 0 HD22 LEU A 441 -11.037 9.947 -11.371 1.00 30.10 H new ATOM 0 HD23 LEU A 441 -10.770 10.712 -12.956 1.00 30.10 H new ATOM 618 N HIS A 442 -6.844 7.570 -11.889 1.00 72.11 N ATOM 619 CA HIS A 442 -5.525 6.944 -12.003 1.00 33.10 C ATOM 620 C HIS A 442 -5.307 6.015 -10.816 1.00 60.25 C ATOM 621 O HIS A 442 -4.901 4.877 -10.982 1.00 24.42 O ATOM 622 CB HIS A 442 -4.378 7.975 -12.086 1.00 23.42 C ATOM 623 CG HIS A 442 -4.322 8.800 -13.346 1.00 74.04 C ATOM 624 ND1 HIS A 442 -5.095 9.824 -13.782 1.00 62.44 N flip ATOM 625 CD2 HIS A 442 -3.340 8.644 -14.293 1.00 61.11 C flip ATOM 626 CE1 HIS A 442 -4.560 10.258 -14.971 1.00 74.22 C flip ATOM 627 NE2 HIS A 442 -3.501 9.529 -15.253 1.00 51.45 N flip ATOM 0 H HIS A 442 -6.825 8.577 -11.727 1.00 72.11 H new ATOM 0 HA HIS A 442 -5.508 6.381 -12.936 1.00 33.10 H new ATOM 0 HB2 HIS A 442 -4.462 8.652 -11.236 1.00 23.42 H new ATOM 0 HB3 HIS A 442 -3.431 7.445 -11.980 1.00 23.42 H new ATOM 0 HD1 HIS A 442 -5.919 10.202 -13.315 1.00 62.44 H new ATOM 0 HD2 HIS A 442 -2.553 7.905 -14.255 1.00 61.11 H new ATOM 0 HE1 HIS A 442 -4.946 11.066 -15.576 1.00 74.22 H new ATOM 636 N TYR A 443 -5.629 6.503 -9.611 1.00 75.12 N ATOM 637 CA TYR A 443 -5.519 5.690 -8.390 1.00 41.02 C ATOM 638 C TYR A 443 -6.446 4.484 -8.448 1.00 0.43 C ATOM 639 O TYR A 443 -6.158 3.440 -7.868 1.00 22.53 O ATOM 640 CB TYR A 443 -5.807 6.511 -7.126 1.00 22.33 C ATOM 641 CG TYR A 443 -4.761 7.551 -6.789 1.00 12.32 C ATOM 642 CD1 TYR A 443 -4.891 8.866 -7.199 1.00 24.33 C ATOM 643 CD2 TYR A 443 -3.644 7.207 -6.049 1.00 42.11 C ATOM 644 CE1 TYR A 443 -3.936 9.810 -6.882 1.00 44.23 C ATOM 645 CE2 TYR A 443 -2.684 8.143 -5.728 1.00 1.14 C ATOM 646 CZ TYR A 443 -2.835 9.442 -6.147 1.00 4.42 C ATOM 647 OH TYR A 443 -1.877 10.380 -5.827 1.00 14.22 O ATOM 0 H TYR A 443 -5.967 7.453 -9.454 1.00 75.12 H new ATOM 0 HA TYR A 443 -4.488 5.340 -8.337 1.00 41.02 H new ATOM 0 HB2 TYR A 443 -6.769 7.010 -7.246 1.00 22.33 H new ATOM 0 HB3 TYR A 443 -5.905 5.829 -6.282 1.00 22.33 H new ATOM 0 HD1 TYR A 443 -5.755 9.159 -7.777 1.00 24.33 H new ATOM 0 HD2 TYR A 443 -3.522 6.187 -5.717 1.00 42.11 H new ATOM 0 HE1 TYR A 443 -4.053 10.832 -7.210 1.00 44.23 H new ATOM 0 HE2 TYR A 443 -1.818 7.856 -5.150 1.00 1.14 H new ATOM 0 HH TYR A 443 -1.166 9.956 -5.303 1.00 14.22 H new ATOM 657 N ALA A 444 -7.542 4.633 -9.169 1.00 33.35 N ATOM 658 CA ALA A 444 -8.515 3.564 -9.345 1.00 53.20 C ATOM 659 C ALA A 444 -7.891 2.409 -10.114 1.00 41.15 C ATOM 660 O ALA A 444 -8.160 1.243 -9.838 1.00 31.25 O ATOM 661 CB ALA A 444 -9.762 4.072 -10.053 1.00 51.12 C ATOM 0 H ALA A 444 -7.785 5.499 -9.651 1.00 33.35 H new ATOM 0 HA ALA A 444 -8.815 3.206 -8.360 1.00 53.20 H new ATOM 0 HB1 ALA A 444 -10.472 3.253 -10.172 1.00 51.12 H new ATOM 0 HB2 ALA A 444 -10.219 4.866 -9.461 1.00 51.12 H new ATOM 0 HB3 ALA A 444 -9.490 4.461 -11.034 1.00 51.12 H new ATOM 667 N GLN A 445 -7.028 2.752 -11.056 1.00 33.33 N ATOM 668 CA GLN A 445 -6.304 1.766 -11.844 1.00 34.34 C ATOM 669 C GLN A 445 -5.343 1.006 -10.943 1.00 61.15 C ATOM 670 O GLN A 445 -5.157 -0.197 -11.089 1.00 41.13 O ATOM 671 CB GLN A 445 -5.506 2.466 -12.936 1.00 52.54 C ATOM 672 CG GLN A 445 -6.343 3.258 -13.915 1.00 24.31 C ATOM 673 CD GLN A 445 -5.490 4.072 -14.863 1.00 53.11 C ATOM 674 OE1 GLN A 445 -4.362 3.700 -15.193 1.00 12.01 O ATOM 675 NE2 GLN A 445 -6.007 5.183 -15.295 1.00 63.11 N ATOM 0 H GLN A 445 -6.809 3.719 -11.296 1.00 33.33 H new ATOM 0 HA GLN A 445 -7.017 1.076 -12.295 1.00 34.34 H new ATOM 0 HB2 GLN A 445 -4.785 3.137 -12.468 1.00 52.54 H new ATOM 0 HB3 GLN A 445 -4.935 1.719 -13.487 1.00 52.54 H new ATOM 0 HG2 GLN A 445 -6.972 2.577 -14.488 1.00 24.31 H new ATOM 0 HG3 GLN A 445 -7.010 3.923 -13.366 1.00 24.31 H new ATOM 0 HE21 GLN A 445 -6.944 5.458 -15.000 1.00 63.11 H new ATOM 0 HE22 GLN A 445 -5.476 5.780 -15.929 1.00 63.11 H new ATOM 684 N TYR A 446 -4.749 1.732 -10.006 1.00 51.10 N ATOM 685 CA TYR A 446 -3.775 1.185 -9.086 1.00 35.54 C ATOM 686 C TYR A 446 -4.399 0.330 -7.992 1.00 34.24 C ATOM 687 O TYR A 446 -3.897 -0.751 -7.677 1.00 3.04 O ATOM 688 CB TYR A 446 -2.882 2.287 -8.511 1.00 21.41 C ATOM 689 CG TYR A 446 -1.962 2.886 -9.548 1.00 42.33 C ATOM 690 CD1 TYR A 446 -2.132 4.181 -10.009 1.00 3.13 C ATOM 691 CD2 TYR A 446 -0.932 2.129 -10.092 1.00 34.45 C ATOM 692 CE1 TYR A 446 -1.305 4.706 -10.981 1.00 33.31 C ATOM 693 CE2 TYR A 446 -0.099 2.649 -11.055 1.00 4.35 C ATOM 694 CZ TYR A 446 -0.289 3.934 -11.498 1.00 42.24 C ATOM 695 OH TYR A 446 0.536 4.445 -12.476 1.00 73.23 O ATOM 0 H TYR A 446 -4.935 2.725 -9.866 1.00 51.10 H new ATOM 0 HA TYR A 446 -3.145 0.509 -9.664 1.00 35.54 H new ATOM 0 HB2 TYR A 446 -3.507 3.073 -8.088 1.00 21.41 H new ATOM 0 HB3 TYR A 446 -2.287 1.879 -7.694 1.00 21.41 H new ATOM 0 HD1 TYR A 446 -2.925 4.790 -9.601 1.00 3.13 H new ATOM 0 HD2 TYR A 446 -0.783 1.115 -9.753 1.00 34.45 H new ATOM 0 HE1 TYR A 446 -1.454 5.716 -11.334 1.00 33.31 H new ATOM 0 HE2 TYR A 446 0.702 2.048 -11.461 1.00 4.35 H new ATOM 0 HH TYR A 446 1.200 3.770 -12.729 1.00 73.23 H new ATOM 705 N VAL A 447 -5.490 0.794 -7.419 1.00 12.01 N ATOM 706 CA VAL A 447 -6.176 0.044 -6.370 1.00 50.55 C ATOM 707 C VAL A 447 -6.767 -1.256 -6.947 1.00 14.44 C ATOM 708 O VAL A 447 -6.900 -2.274 -6.243 1.00 32.20 O ATOM 709 CB VAL A 447 -7.268 0.897 -5.649 1.00 51.14 C ATOM 710 CG1 VAL A 447 -8.432 1.233 -6.560 1.00 64.05 C ATOM 711 CG2 VAL A 447 -7.742 0.231 -4.366 1.00 45.41 C ATOM 0 H VAL A 447 -5.926 1.685 -7.657 1.00 12.01 H new ATOM 0 HA VAL A 447 -5.438 -0.215 -5.611 1.00 50.55 H new ATOM 0 HB VAL A 447 -6.797 1.842 -5.377 1.00 51.14 H new ATOM 0 HG11 VAL A 447 -9.164 1.827 -6.012 1.00 64.05 H new ATOM 0 HG12 VAL A 447 -8.071 1.802 -7.417 1.00 64.05 H new ATOM 0 HG13 VAL A 447 -8.900 0.312 -6.908 1.00 64.05 H new ATOM 0 HG21 VAL A 447 -8.501 0.853 -3.892 1.00 45.41 H new ATOM 0 HG22 VAL A 447 -8.167 -0.746 -4.598 1.00 45.41 H new ATOM 0 HG23 VAL A 447 -6.898 0.108 -3.687 1.00 45.41 H new ATOM 721 N LEU A 448 -7.105 -1.203 -8.241 1.00 11.15 N ATOM 722 CA LEU A 448 -7.646 -2.311 -8.976 1.00 44.55 C ATOM 723 C LEU A 448 -6.748 -3.553 -8.895 1.00 42.54 C ATOM 724 O LEU A 448 -7.250 -4.667 -8.931 1.00 21.45 O ATOM 725 CB LEU A 448 -7.861 -1.895 -10.430 1.00 34.20 C ATOM 726 CG LEU A 448 -8.357 -2.974 -11.373 1.00 71.53 C ATOM 727 CD1 LEU A 448 -9.732 -3.492 -10.950 1.00 4.45 C ATOM 728 CD2 LEU A 448 -8.377 -2.478 -12.809 1.00 53.04 C ATOM 0 H LEU A 448 -7.000 -0.359 -8.804 1.00 11.15 H new ATOM 0 HA LEU A 448 -8.601 -2.584 -8.526 1.00 44.55 H new ATOM 0 HB2 LEU A 448 -8.574 -1.071 -10.448 1.00 34.20 H new ATOM 0 HB3 LEU A 448 -6.918 -1.509 -10.818 1.00 34.20 H new ATOM 0 HG LEU A 448 -7.658 -3.809 -11.317 1.00 71.53 H new ATOM 0 HD11 LEU A 448 -10.060 -4.264 -11.646 1.00 4.45 H new ATOM 0 HD12 LEU A 448 -9.670 -3.911 -9.946 1.00 4.45 H new ATOM 0 HD13 LEU A 448 -10.448 -2.670 -10.956 1.00 4.45 H new ATOM 0 HD21 LEU A 448 -8.737 -3.272 -13.463 1.00 53.04 H new ATOM 0 HD22 LEU A 448 -9.039 -1.616 -12.887 1.00 53.04 H new ATOM 0 HD23 LEU A 448 -7.369 -2.190 -13.108 1.00 53.04 H new ATOM 740 N LEU A 449 -5.427 -3.364 -8.761 1.00 51.31 N ATOM 741 CA LEU A 449 -4.513 -4.509 -8.652 1.00 55.54 C ATOM 742 C LEU A 449 -4.855 -5.369 -7.439 1.00 33.55 C ATOM 743 O LEU A 449 -4.929 -6.602 -7.533 1.00 12.35 O ATOM 744 CB LEU A 449 -3.013 -4.109 -8.602 1.00 10.53 C ATOM 745 CG LEU A 449 -2.344 -3.580 -9.893 1.00 31.42 C ATOM 746 CD1 LEU A 449 -2.951 -2.283 -10.363 1.00 34.33 C ATOM 747 CD2 LEU A 449 -0.851 -3.412 -9.681 1.00 23.22 C ATOM 0 H LEU A 449 -4.976 -2.450 -8.726 1.00 51.31 H new ATOM 0 HA LEU A 449 -4.658 -5.084 -9.567 1.00 55.54 H new ATOM 0 HB2 LEU A 449 -2.900 -3.344 -7.833 1.00 10.53 H new ATOM 0 HB3 LEU A 449 -2.449 -4.981 -8.270 1.00 10.53 H new ATOM 0 HG LEU A 449 -2.519 -4.321 -10.673 1.00 31.42 H new ATOM 0 HD11 LEU A 449 -2.447 -1.954 -11.272 1.00 34.33 H new ATOM 0 HD12 LEU A 449 -4.011 -2.431 -10.569 1.00 34.33 H new ATOM 0 HD13 LEU A 449 -2.835 -1.525 -9.588 1.00 34.33 H new ATOM 0 HD21 LEU A 449 -0.393 -3.039 -10.597 1.00 23.22 H new ATOM 0 HD22 LEU A 449 -0.676 -2.702 -8.873 1.00 23.22 H new ATOM 0 HD23 LEU A 449 -0.410 -4.374 -9.420 1.00 23.22 H new ATOM 759 N GLY A 450 -5.092 -4.721 -6.317 1.00 24.42 N ATOM 760 CA GLY A 450 -5.414 -5.437 -5.104 1.00 51.42 C ATOM 761 C GLY A 450 -6.772 -6.074 -5.177 1.00 1.40 C ATOM 762 O GLY A 450 -6.952 -7.238 -4.777 1.00 4.44 O ATOM 0 H GLY A 450 -5.068 -3.706 -6.222 1.00 24.42 H new ATOM 0 HA2 GLY A 450 -4.661 -6.205 -4.924 1.00 51.42 H new ATOM 0 HA3 GLY A 450 -5.379 -4.752 -4.257 1.00 51.42 H new ATOM 766 N LEU A 451 -7.724 -5.324 -5.709 1.00 41.14 N ATOM 767 CA LEU A 451 -9.085 -5.794 -5.869 1.00 2.44 C ATOM 768 C LEU A 451 -9.109 -7.000 -6.806 1.00 23.04 C ATOM 769 O LEU A 451 -9.764 -8.005 -6.532 1.00 11.13 O ATOM 770 CB LEU A 451 -9.964 -4.665 -6.425 1.00 20.14 C ATOM 771 CG LEU A 451 -11.448 -4.989 -6.626 1.00 1.52 C ATOM 772 CD1 LEU A 451 -12.120 -5.330 -5.302 1.00 73.44 C ATOM 773 CD2 LEU A 451 -12.157 -3.833 -7.309 1.00 24.32 C ATOM 0 H LEU A 451 -7.572 -4.372 -6.041 1.00 41.14 H new ATOM 0 HA LEU A 451 -9.479 -6.097 -4.899 1.00 2.44 H new ATOM 0 HB2 LEU A 451 -9.890 -3.811 -5.751 1.00 20.14 H new ATOM 0 HB3 LEU A 451 -9.551 -4.351 -7.384 1.00 20.14 H new ATOM 0 HG LEU A 451 -11.519 -5.865 -7.270 1.00 1.52 H new ATOM 0 HD11 LEU A 451 -13.172 -5.555 -5.475 1.00 73.44 H new ATOM 0 HD12 LEU A 451 -11.631 -6.198 -4.859 1.00 73.44 H new ATOM 0 HD13 LEU A 451 -12.038 -4.481 -4.623 1.00 73.44 H new ATOM 0 HD21 LEU A 451 -13.210 -4.081 -7.444 1.00 24.32 H new ATOM 0 HD22 LEU A 451 -12.071 -2.938 -6.693 1.00 24.32 H new ATOM 0 HD23 LEU A 451 -11.700 -3.649 -8.281 1.00 24.32 H new ATOM 785 N GLY A 452 -8.351 -6.897 -7.884 1.00 51.21 N ATOM 786 CA GLY A 452 -8.272 -7.960 -8.858 1.00 31.10 C ATOM 787 C GLY A 452 -7.688 -9.207 -8.266 1.00 50.12 C ATOM 788 O GLY A 452 -8.146 -10.316 -8.558 1.00 63.54 O ATOM 0 H GLY A 452 -7.780 -6.081 -8.103 1.00 51.21 H new ATOM 0 HA2 GLY A 452 -9.268 -8.173 -9.247 1.00 31.10 H new ATOM 0 HA3 GLY A 452 -7.662 -7.637 -9.702 1.00 31.10 H new ATOM 792 N GLY A 453 -6.694 -9.020 -7.408 1.00 42.51 N ATOM 793 CA GLY A 453 -6.069 -10.128 -6.735 1.00 33.01 C ATOM 794 C GLY A 453 -7.037 -10.856 -5.822 1.00 14.05 C ATOM 795 O GLY A 453 -6.952 -12.069 -5.668 1.00 4.33 O ATOM 0 H GLY A 453 -6.310 -8.106 -7.168 1.00 42.51 H new ATOM 0 HA2 GLY A 453 -5.673 -10.825 -7.474 1.00 33.01 H new ATOM 0 HA3 GLY A 453 -5.222 -9.767 -6.152 1.00 33.01 H new ATOM 799 N LEU A 454 -7.966 -10.114 -5.242 1.00 44.24 N ATOM 800 CA LEU A 454 -8.971 -10.677 -4.351 1.00 21.43 C ATOM 801 C LEU A 454 -9.925 -11.554 -5.164 1.00 3.44 C ATOM 802 O LEU A 454 -10.170 -12.702 -4.814 1.00 33.31 O ATOM 803 CB LEU A 454 -9.716 -9.523 -3.608 1.00 14.23 C ATOM 804 CG LEU A 454 -10.736 -9.880 -2.484 1.00 14.33 C ATOM 805 CD1 LEU A 454 -11.144 -8.616 -1.760 1.00 32.15 C ATOM 806 CD2 LEU A 454 -11.994 -10.559 -3.029 1.00 62.41 C ATOM 0 H LEU A 454 -8.046 -9.106 -5.374 1.00 44.24 H new ATOM 0 HA LEU A 454 -8.504 -11.305 -3.592 1.00 21.43 H new ATOM 0 HB2 LEU A 454 -8.960 -8.871 -3.171 1.00 14.23 H new ATOM 0 HB3 LEU A 454 -10.246 -8.937 -4.359 1.00 14.23 H new ATOM 0 HG LEU A 454 -10.243 -10.580 -1.809 1.00 14.33 H new ATOM 0 HD11 LEU A 454 -11.857 -8.861 -0.973 1.00 32.15 H new ATOM 0 HD12 LEU A 454 -10.263 -8.149 -1.319 1.00 32.15 H new ATOM 0 HD13 LEU A 454 -11.606 -7.925 -2.466 1.00 32.15 H new ATOM 0 HD21 LEU A 454 -12.671 -10.786 -2.205 1.00 62.41 H new ATOM 0 HD22 LEU A 454 -12.491 -9.892 -3.734 1.00 62.41 H new ATOM 0 HD23 LEU A 454 -11.718 -11.483 -3.537 1.00 62.41 H new ATOM 818 N LEU A 455 -10.431 -11.014 -6.266 1.00 24.23 N ATOM 819 CA LEU A 455 -11.352 -11.757 -7.138 1.00 0.11 C ATOM 820 C LEU A 455 -10.723 -13.011 -7.725 1.00 4.01 C ATOM 821 O LEU A 455 -11.421 -13.979 -8.006 1.00 11.31 O ATOM 822 CB LEU A 455 -11.997 -10.887 -8.242 1.00 34.45 C ATOM 823 CG LEU A 455 -13.140 -9.929 -7.819 1.00 12.22 C ATOM 824 CD1 LEU A 455 -14.277 -10.692 -7.170 1.00 14.51 C ATOM 825 CD2 LEU A 455 -12.663 -8.815 -6.911 1.00 73.01 C ATOM 0 H LEU A 455 -10.224 -10.067 -6.582 1.00 24.23 H new ATOM 0 HA LEU A 455 -12.161 -12.073 -6.480 1.00 0.11 H new ATOM 0 HB2 LEU A 455 -11.210 -10.290 -8.703 1.00 34.45 H new ATOM 0 HB3 LEU A 455 -12.384 -11.553 -9.013 1.00 34.45 H new ATOM 0 HG LEU A 455 -13.506 -9.462 -8.733 1.00 12.22 H new ATOM 0 HD11 LEU A 455 -15.065 -9.996 -6.883 1.00 14.51 H new ATOM 0 HD12 LEU A 455 -14.676 -11.421 -7.876 1.00 14.51 H new ATOM 0 HD13 LEU A 455 -13.909 -11.209 -6.284 1.00 14.51 H new ATOM 0 HD21 LEU A 455 -13.505 -8.175 -6.647 1.00 73.01 H new ATOM 0 HD22 LEU A 455 -12.234 -9.243 -6.005 1.00 73.01 H new ATOM 0 HD23 LEU A 455 -11.906 -8.224 -7.427 1.00 73.01 H new ATOM 837 N LEU A 456 -9.413 -12.992 -7.879 1.00 60.22 N ATOM 838 CA LEU A 456 -8.668 -14.100 -8.442 1.00 75.05 C ATOM 839 C LEU A 456 -8.778 -15.308 -7.490 1.00 2.13 C ATOM 840 O LEU A 456 -8.823 -16.468 -7.919 1.00 5.43 O ATOM 841 CB LEU A 456 -7.190 -13.618 -8.618 1.00 5.12 C ATOM 842 CG LEU A 456 -6.153 -14.518 -9.340 1.00 55.31 C ATOM 843 CD1 LEU A 456 -4.875 -13.726 -9.553 1.00 42.23 C ATOM 844 CD2 LEU A 456 -5.818 -15.766 -8.537 1.00 32.54 C ATOM 0 H LEU A 456 -8.830 -12.198 -7.614 1.00 60.22 H new ATOM 0 HA LEU A 456 -9.057 -14.414 -9.411 1.00 75.05 H new ATOM 0 HB2 LEU A 456 -7.222 -12.669 -9.154 1.00 5.12 H new ATOM 0 HB3 LEU A 456 -6.798 -13.409 -7.623 1.00 5.12 H new ATOM 0 HG LEU A 456 -6.590 -14.831 -10.288 1.00 55.31 H new ATOM 0 HD11 LEU A 456 -4.140 -14.351 -10.060 1.00 42.23 H new ATOM 0 HD12 LEU A 456 -5.088 -12.849 -10.163 1.00 42.23 H new ATOM 0 HD13 LEU A 456 -4.478 -13.409 -8.588 1.00 42.23 H new ATOM 0 HD21 LEU A 456 -5.088 -16.365 -9.082 1.00 32.54 H new ATOM 0 HD22 LEU A 456 -5.402 -15.477 -7.572 1.00 32.54 H new ATOM 0 HD23 LEU A 456 -6.724 -16.352 -8.380 1.00 32.54 H new ATOM 856 N LEU A 457 -8.847 -15.011 -6.205 1.00 54.43 N ATOM 857 CA LEU A 457 -8.878 -16.018 -5.158 1.00 22.12 C ATOM 858 C LEU A 457 -10.251 -16.678 -5.044 1.00 51.02 C ATOM 859 O LEU A 457 -10.354 -17.855 -4.683 1.00 44.12 O ATOM 860 CB LEU A 457 -8.503 -15.381 -3.823 1.00 72.41 C ATOM 861 CG LEU A 457 -7.234 -14.525 -3.834 1.00 3.13 C ATOM 862 CD1 LEU A 457 -6.894 -14.024 -2.452 1.00 71.21 C ATOM 863 CD2 LEU A 457 -6.069 -15.255 -4.472 1.00 24.15 C ATOM 0 H LEU A 457 -8.884 -14.054 -5.854 1.00 54.43 H new ATOM 0 HA LEU A 457 -8.157 -16.792 -5.419 1.00 22.12 H new ATOM 0 HB2 LEU A 457 -9.335 -14.761 -3.490 1.00 72.41 H new ATOM 0 HB3 LEU A 457 -8.380 -16.173 -3.084 1.00 72.41 H new ATOM 0 HG LEU A 457 -7.437 -13.651 -4.453 1.00 3.13 H new ATOM 0 HD11 LEU A 457 -5.988 -13.420 -2.497 1.00 71.21 H new ATOM 0 HD12 LEU A 457 -7.716 -13.417 -2.072 1.00 71.21 H new ATOM 0 HD13 LEU A 457 -6.732 -14.872 -1.787 1.00 71.21 H new ATOM 0 HD21 LEU A 457 -5.188 -14.614 -4.460 1.00 24.15 H new ATOM 0 HD22 LEU A 457 -5.861 -16.168 -3.913 1.00 24.15 H new ATOM 0 HD23 LEU A 457 -6.319 -15.509 -5.502 1.00 24.15 H new ATOM 875 N VAL A 458 -11.292 -15.913 -5.376 1.00 20.24 N ATOM 876 CA VAL A 458 -12.700 -16.344 -5.248 1.00 23.34 C ATOM 877 C VAL A 458 -12.996 -17.766 -5.815 1.00 54.51 C ATOM 878 O VAL A 458 -13.580 -18.594 -5.097 1.00 63.33 O ATOM 879 CB VAL A 458 -13.693 -15.286 -5.821 1.00 63.10 C ATOM 880 CG1 VAL A 458 -15.132 -15.775 -5.736 1.00 4.34 C ATOM 881 CG2 VAL A 458 -13.548 -13.976 -5.061 1.00 62.45 C ATOM 0 H VAL A 458 -11.189 -14.968 -5.745 1.00 20.24 H new ATOM 0 HA VAL A 458 -12.866 -16.420 -4.173 1.00 23.34 H new ATOM 0 HB VAL A 458 -13.450 -15.128 -6.872 1.00 63.10 H new ATOM 0 HG11 VAL A 458 -15.799 -15.015 -6.143 1.00 4.34 H new ATOM 0 HG12 VAL A 458 -15.238 -16.696 -6.310 1.00 4.34 H new ATOM 0 HG13 VAL A 458 -15.391 -15.965 -4.694 1.00 4.34 H new ATOM 0 HG21 VAL A 458 -14.244 -13.241 -5.466 1.00 62.45 H new ATOM 0 HG22 VAL A 458 -13.768 -14.141 -4.006 1.00 62.45 H new ATOM 0 HG23 VAL A 458 -12.528 -13.606 -5.166 1.00 62.45 H new ATOM 891 N PRO A 459 -12.604 -18.092 -7.086 1.00 2.22 N ATOM 892 CA PRO A 459 -12.830 -19.431 -7.653 1.00 71.40 C ATOM 893 C PRO A 459 -12.203 -20.541 -6.799 1.00 24.24 C ATOM 894 O PRO A 459 -12.767 -21.619 -6.658 1.00 72.32 O ATOM 895 CB PRO A 459 -12.142 -19.363 -9.017 1.00 12.34 C ATOM 896 CG PRO A 459 -12.158 -17.924 -9.368 1.00 44.33 C ATOM 897 CD PRO A 459 -11.956 -17.200 -8.078 1.00 53.24 C ATOM 0 HA PRO A 459 -13.891 -19.673 -7.705 1.00 71.40 H new ATOM 0 HB2 PRO A 459 -11.124 -19.748 -8.968 1.00 12.34 H new ATOM 0 HB3 PRO A 459 -12.673 -19.959 -9.760 1.00 12.34 H new ATOM 0 HG2 PRO A 459 -11.369 -17.685 -10.081 1.00 44.33 H new ATOM 0 HG3 PRO A 459 -13.103 -17.643 -9.833 1.00 44.33 H new ATOM 0 HD2 PRO A 459 -10.898 -17.055 -7.859 1.00 53.24 H new ATOM 0 HD3 PRO A 459 -12.417 -16.212 -8.094 1.00 53.24 H new ATOM 905 N ILE A 460 -11.060 -20.252 -6.193 1.00 40.34 N ATOM 906 CA ILE A 460 -10.370 -21.243 -5.385 1.00 13.55 C ATOM 907 C ILE A 460 -11.046 -21.366 -4.014 1.00 0.44 C ATOM 908 O ILE A 460 -11.077 -22.439 -3.415 1.00 42.31 O ATOM 909 CB ILE A 460 -8.856 -20.924 -5.226 1.00 61.33 C ATOM 910 CG1 ILE A 460 -8.200 -20.720 -6.606 1.00 2.32 C ATOM 911 CG2 ILE A 460 -8.149 -22.058 -4.477 1.00 11.21 C ATOM 912 CD1 ILE A 460 -8.297 -21.920 -7.541 1.00 61.25 C ATOM 0 H ILE A 460 -10.595 -19.346 -6.246 1.00 40.34 H new ATOM 0 HA ILE A 460 -10.438 -22.198 -5.906 1.00 13.55 H new ATOM 0 HB ILE A 460 -8.758 -20.004 -4.650 1.00 61.33 H new ATOM 0 HG12 ILE A 460 -8.664 -19.861 -7.090 1.00 2.32 H new ATOM 0 HG13 ILE A 460 -7.148 -20.474 -6.460 1.00 2.32 H new ATOM 0 HG21 ILE A 460 -7.090 -21.821 -4.373 1.00 11.21 H new ATOM 0 HG22 ILE A 460 -8.594 -22.174 -3.489 1.00 11.21 H new ATOM 0 HG23 ILE A 460 -8.260 -22.987 -5.036 1.00 11.21 H new ATOM 0 HD11 ILE A 460 -7.809 -21.685 -8.487 1.00 61.25 H new ATOM 0 HD12 ILE A 460 -7.806 -22.779 -7.083 1.00 61.25 H new ATOM 0 HD13 ILE A 460 -9.346 -22.156 -7.723 1.00 61.25 H new ATOM 924 N ILE A 461 -11.626 -20.270 -3.540 1.00 21.41 N ATOM 925 CA ILE A 461 -12.389 -20.285 -2.287 1.00 22.14 C ATOM 926 C ILE A 461 -13.633 -21.172 -2.478 1.00 13.43 C ATOM 927 O ILE A 461 -14.096 -21.853 -1.561 1.00 62.24 O ATOM 928 CB ILE A 461 -12.813 -18.844 -1.854 1.00 44.41 C ATOM 929 CG1 ILE A 461 -11.569 -17.957 -1.660 1.00 54.11 C ATOM 930 CG2 ILE A 461 -13.646 -18.880 -0.568 1.00 63.15 C ATOM 931 CD1 ILE A 461 -11.879 -16.519 -1.280 1.00 44.21 C ATOM 0 H ILE A 461 -11.586 -19.360 -3.999 1.00 21.41 H new ATOM 0 HA ILE A 461 -11.757 -20.687 -1.495 1.00 22.14 H new ATOM 0 HB ILE A 461 -13.429 -18.419 -2.646 1.00 44.41 H new ATOM 0 HG12 ILE A 461 -10.940 -18.397 -0.886 1.00 54.11 H new ATOM 0 HG13 ILE A 461 -10.988 -17.960 -2.582 1.00 54.11 H new ATOM 0 HG21 ILE A 461 -13.928 -17.865 -0.289 1.00 63.15 H new ATOM 0 HG22 ILE A 461 -14.545 -19.474 -0.733 1.00 63.15 H new ATOM 0 HG23 ILE A 461 -13.058 -19.327 0.234 1.00 63.15 H new ATOM 0 HD11 ILE A 461 -10.948 -15.965 -1.163 1.00 44.21 H new ATOM 0 HD12 ILE A 461 -12.480 -16.057 -2.063 1.00 44.21 H new ATOM 0 HD13 ILE A 461 -12.432 -16.502 -0.341 1.00 44.21 H new ATOM 943 N CYS A 462 -14.128 -21.190 -3.699 1.00 21.00 N ATOM 944 CA CYS A 462 -15.258 -22.018 -4.059 1.00 61.31 C ATOM 945 C CYS A 462 -14.804 -23.472 -4.245 1.00 64.54 C ATOM 946 O CYS A 462 -15.594 -24.409 -4.110 1.00 23.21 O ATOM 947 CB CYS A 462 -15.882 -21.500 -5.355 1.00 53.12 C ATOM 948 SG CYS A 462 -16.376 -19.762 -5.293 1.00 73.31 S ATOM 0 H CYS A 462 -13.758 -20.631 -4.468 1.00 21.00 H new ATOM 0 HA CYS A 462 -15.999 -21.978 -3.261 1.00 61.31 H new ATOM 0 HB2 CYS A 462 -15.169 -21.635 -6.168 1.00 53.12 H new ATOM 0 HB3 CYS A 462 -16.756 -22.107 -5.593 1.00 53.12 H new ATOM 0 HG CYS A 462 -15.316 -19.010 -5.265 1.00 73.31 H new ATOM 954 N GLN A 463 -13.518 -23.646 -4.493 1.00 41.43 N ATOM 955 CA GLN A 463 -12.934 -24.961 -4.771 1.00 73.32 C ATOM 956 C GLN A 463 -12.772 -25.662 -3.465 1.00 54.33 C ATOM 957 O GLN A 463 -13.039 -26.842 -3.317 1.00 2.12 O ATOM 958 CB GLN A 463 -11.573 -24.792 -5.465 1.00 54.13 C ATOM 959 CG GLN A 463 -10.823 -26.085 -5.710 1.00 24.32 C ATOM 960 CD GLN A 463 -9.488 -25.865 -6.379 1.00 63.44 C ATOM 961 OE1 GLN A 463 -9.383 -25.878 -7.601 1.00 71.01 O ATOM 962 NE2 GLN A 463 -8.468 -25.652 -5.594 1.00 63.33 N ATOM 0 H GLN A 463 -12.842 -22.883 -4.509 1.00 41.43 H new ATOM 0 HA GLN A 463 -13.577 -25.541 -5.434 1.00 73.32 H new ATOM 0 HB2 GLN A 463 -11.727 -24.291 -6.420 1.00 54.13 H new ATOM 0 HB3 GLN A 463 -10.950 -24.136 -4.858 1.00 54.13 H new ATOM 0 HG2 GLN A 463 -10.669 -26.597 -4.760 1.00 24.32 H new ATOM 0 HG3 GLN A 463 -11.432 -26.742 -6.331 1.00 24.32 H new ATOM 0 HE21 GLN A 463 -8.595 -25.649 -4.582 1.00 63.33 H new ATOM 0 HE22 GLN A 463 -7.543 -25.489 -5.992 1.00 63.33 H new ATOM 971 N LEU A 464 -12.353 -24.876 -2.533 1.00 14.54 N ATOM 972 CA LEU A 464 -12.143 -25.194 -1.169 1.00 0.13 C ATOM 973 C LEU A 464 -13.412 -25.836 -0.579 1.00 14.23 C ATOM 974 O LEU A 464 -13.341 -26.783 0.209 1.00 31.14 O ATOM 975 CB LEU A 464 -11.842 -23.833 -0.567 1.00 41.41 C ATOM 976 CG LEU A 464 -11.388 -23.681 0.845 1.00 32.22 C ATOM 977 CD1 LEU A 464 -10.986 -22.234 1.004 1.00 3.31 C ATOM 978 CD2 LEU A 464 -12.488 -24.001 1.827 1.00 23.05 C ATOM 0 H LEU A 464 -12.128 -23.901 -2.731 1.00 14.54 H new ATOM 0 HA LEU A 464 -11.349 -25.916 -0.981 1.00 0.13 H new ATOM 0 HB2 LEU A 464 -11.079 -23.372 -1.195 1.00 41.41 H new ATOM 0 HB3 LEU A 464 -12.747 -23.234 -0.673 1.00 41.41 H new ATOM 0 HG LEU A 464 -10.568 -24.369 1.049 1.00 32.22 H new ATOM 0 HD11 LEU A 464 -10.643 -22.062 2.024 1.00 3.31 H new ATOM 0 HD12 LEU A 464 -10.182 -22.001 0.306 1.00 3.31 H new ATOM 0 HD13 LEU A 464 -11.843 -21.593 0.797 1.00 3.31 H new ATOM 0 HD21 LEU A 464 -12.115 -23.878 2.844 1.00 23.05 H new ATOM 0 HD22 LEU A 464 -13.329 -23.326 1.664 1.00 23.05 H new ATOM 0 HD23 LEU A 464 -12.816 -25.030 1.683 1.00 23.05 H new ATOM 990 N ARG A 465 -14.563 -25.350 -1.014 1.00 40.22 N ATOM 991 CA ARG A 465 -15.855 -25.841 -0.548 1.00 31.51 C ATOM 992 C ARG A 465 -16.081 -27.302 -0.936 1.00 3.21 C ATOM 993 O ARG A 465 -16.845 -28.016 -0.282 1.00 20.13 O ATOM 994 CB ARG A 465 -16.973 -24.987 -1.118 1.00 30.53 C ATOM 995 CG ARG A 465 -16.911 -23.532 -0.704 1.00 21.01 C ATOM 996 CD ARG A 465 -18.034 -22.736 -1.336 1.00 4.24 C ATOM 997 NE ARG A 465 -19.348 -23.276 -0.985 1.00 11.13 N ATOM 998 CZ ARG A 465 -20.466 -23.099 -1.700 1.00 73.21 C ATOM 999 NH1 ARG A 465 -20.464 -22.299 -2.769 1.00 25.13 N ATOM 1000 NH2 ARG A 465 -21.586 -23.701 -1.328 1.00 52.12 N ATOM 0 H ARG A 465 -14.631 -24.601 -1.703 1.00 40.22 H new ATOM 0 HA ARG A 465 -15.857 -25.776 0.540 1.00 31.51 H new ATOM 0 HB2 ARG A 465 -16.942 -25.046 -2.206 1.00 30.53 H new ATOM 0 HB3 ARG A 465 -17.930 -25.403 -0.803 1.00 30.53 H new ATOM 0 HG2 ARG A 465 -16.974 -23.457 0.382 1.00 21.01 H new ATOM 0 HG3 ARG A 465 -15.951 -23.108 -0.998 1.00 21.01 H new ATOM 0 HD2 ARG A 465 -17.970 -21.697 -1.012 1.00 4.24 H new ATOM 0 HD3 ARG A 465 -17.917 -22.740 -2.420 1.00 4.24 H new ATOM 0 HE ARG A 465 -19.417 -23.829 -0.131 1.00 11.13 H new ATOM 0 HH11 ARG A 465 -19.608 -21.819 -3.045 1.00 25.13 H new ATOM 0 HH12 ARG A 465 -21.319 -22.168 -3.310 1.00 25.13 H new ATOM 0 HH21 ARG A 465 -21.594 -24.296 -0.500 1.00 52.12 H new ATOM 0 HH22 ARG A 465 -22.440 -23.569 -1.870 1.00 52.12 H new ATOM 1014 N SER A 466 -15.386 -27.752 -1.965 1.00 40.45 N ATOM 1015 CA SER A 466 -15.518 -29.110 -2.430 1.00 65.34 C ATOM 1016 C SER A 466 -14.763 -30.053 -1.480 1.00 34.13 C ATOM 1017 O SER A 466 -15.069 -31.240 -1.386 1.00 10.55 O ATOM 1018 CB SER A 466 -14.988 -29.225 -3.876 1.00 2.04 C ATOM 1019 OG SER A 466 -15.190 -30.523 -4.418 1.00 53.42 O ATOM 0 H SER A 466 -14.721 -27.188 -2.494 1.00 40.45 H new ATOM 0 HA SER A 466 -16.569 -29.398 -2.435 1.00 65.34 H new ATOM 0 HB2 SER A 466 -15.488 -28.488 -4.505 1.00 2.04 H new ATOM 0 HB3 SER A 466 -13.924 -28.988 -3.892 1.00 2.04 H new ATOM 0 HG SER A 466 -14.842 -30.553 -5.334 1.00 53.42 H new ATOM 1025 N GLN A 467 -13.790 -29.506 -0.765 1.00 62.41 N ATOM 1026 CA GLN A 467 -13.035 -30.278 0.198 1.00 2.34 C ATOM 1027 C GLN A 467 -13.750 -30.297 1.540 1.00 43.33 C ATOM 1028 O GLN A 467 -13.724 -31.303 2.247 1.00 65.04 O ATOM 1029 CB GLN A 467 -11.593 -29.760 0.374 1.00 61.53 C ATOM 1030 CG GLN A 467 -10.637 -29.973 -0.813 1.00 53.02 C ATOM 1031 CD GLN A 467 -11.037 -29.241 -2.072 1.00 23.35 C ATOM 1032 OE1 GLN A 467 -11.754 -29.773 -2.921 1.00 44.33 O ATOM 1033 NE2 GLN A 467 -10.591 -28.024 -2.196 1.00 73.24 N ATOM 0 H GLN A 467 -13.508 -28.528 -0.838 1.00 62.41 H new ATOM 0 HA GLN A 467 -12.967 -31.293 -0.194 1.00 2.34 H new ATOM 0 HB2 GLN A 467 -11.638 -28.692 0.588 1.00 61.53 H new ATOM 0 HB3 GLN A 467 -11.162 -30.243 1.251 1.00 61.53 H new ATOM 0 HG2 GLN A 467 -9.637 -29.651 -0.522 1.00 53.02 H new ATOM 0 HG3 GLN A 467 -10.578 -31.040 -1.030 1.00 53.02 H new ATOM 0 HE21 GLN A 467 -10.000 -27.621 -1.469 1.00 73.24 H new ATOM 0 HE22 GLN A 467 -10.833 -27.474 -3.020 1.00 73.24 H new ATOM 1042 N GLU A 468 -14.399 -29.186 1.878 1.00 44.42 N ATOM 1043 CA GLU A 468 -15.128 -29.074 3.145 1.00 35.44 C ATOM 1044 C GLU A 468 -16.356 -29.986 3.142 1.00 32.21 C ATOM 1045 O GLU A 468 -16.686 -30.613 4.166 1.00 21.25 O ATOM 1046 CB GLU A 468 -15.550 -27.627 3.390 1.00 21.42 C ATOM 1047 CG GLU A 468 -14.390 -26.651 3.490 1.00 42.20 C ATOM 1048 CD GLU A 468 -13.448 -26.971 4.631 1.00 15.23 C ATOM 1049 OE1 GLU A 468 -13.756 -26.601 5.787 1.00 44.02 O ATOM 1050 OE2 GLU A 468 -12.375 -27.578 4.387 1.00 21.24 O ATOM 0 H GLU A 468 -14.437 -28.350 1.295 1.00 44.42 H new ATOM 0 HA GLU A 468 -14.464 -29.388 3.950 1.00 35.44 H new ATOM 0 HB2 GLU A 468 -16.209 -27.310 2.581 1.00 21.42 H new ATOM 0 HB3 GLU A 468 -16.131 -27.580 4.311 1.00 21.42 H new ATOM 0 HG2 GLU A 468 -13.833 -26.659 2.553 1.00 42.20 H new ATOM 0 HG3 GLU A 468 -14.781 -25.642 3.620 1.00 42.20 H new ATOM 1057 N LYS A 469 -17.023 -30.046 1.978 1.00 33.44 N ATOM 1058 CA LYS A 469 -18.188 -30.918 1.730 1.00 1.12 C ATOM 1059 C LYS A 469 -19.396 -30.608 2.632 1.00 5.54 C ATOM 1060 O LYS A 469 -19.351 -29.723 3.499 1.00 11.21 O ATOM 1061 CB LYS A 469 -17.792 -32.396 1.860 1.00 75.24 C ATOM 1062 CG LYS A 469 -16.729 -32.827 0.902 1.00 25.14 C ATOM 1063 CD LYS A 469 -16.360 -34.271 1.113 1.00 54.44 C ATOM 1064 CE LYS A 469 -15.263 -34.665 0.171 1.00 24.20 C ATOM 1065 NZ LYS A 469 -14.866 -36.077 0.336 1.00 62.21 N ATOM 0 H LYS A 469 -16.766 -29.482 1.168 1.00 33.44 H new ATOM 0 HA LYS A 469 -18.507 -30.711 0.709 1.00 1.12 H new ATOM 0 HB2 LYS A 469 -17.447 -32.581 2.877 1.00 75.24 H new ATOM 0 HB3 LYS A 469 -18.677 -33.014 1.707 1.00 75.24 H new ATOM 0 HG2 LYS A 469 -17.077 -32.684 -0.121 1.00 25.14 H new ATOM 0 HG3 LYS A 469 -15.846 -32.201 1.029 1.00 25.14 H new ATOM 0 HD2 LYS A 469 -16.038 -34.426 2.143 1.00 54.44 H new ATOM 0 HD3 LYS A 469 -17.232 -34.905 0.953 1.00 54.44 H new ATOM 0 HE2 LYS A 469 -15.591 -34.499 -0.855 1.00 24.20 H new ATOM 0 HE3 LYS A 469 -14.397 -34.024 0.336 1.00 24.20 H new ATOM 0 HZ1 LYS A 469 -14.105 -36.304 -0.336 1.00 62.21 H new ATOM 0 HZ2 LYS A 469 -14.528 -36.231 1.307 1.00 62.21 H new ATOM 0 HZ3 LYS A 469 -15.685 -36.692 0.153 1.00 62.21 H new ATOM 1079 N CYS A 470 -20.476 -31.314 2.377 1.00 12.11 N ATOM 1080 CA CYS A 470 -21.693 -31.248 3.158 1.00 35.34 C ATOM 1081 C CYS A 470 -22.359 -32.631 3.135 1.00 52.31 C ATOM 1082 O CYS A 470 -22.171 -33.404 2.178 1.00 13.13 O ATOM 1083 CB CYS A 470 -22.653 -30.184 2.588 1.00 60.25 C ATOM 1084 SG CYS A 470 -21.997 -28.497 2.605 1.00 73.45 S ATOM 0 H CYS A 470 -20.534 -31.969 1.598 1.00 12.11 H new ATOM 0 HA CYS A 470 -21.454 -30.963 4.183 1.00 35.34 H new ATOM 0 HB2 CYS A 470 -22.905 -30.452 1.562 1.00 60.25 H new ATOM 0 HB3 CYS A 470 -23.581 -30.206 3.160 1.00 60.25 H new ATOM 0 HG CYS A 470 -20.776 -28.511 3.052 1.00 73.45 H new ATOM 1090 N PHE A 471 -23.135 -32.944 4.155 1.00 5.22 N ATOM 1091 CA PHE A 471 -23.773 -34.254 4.254 1.00 42.02 C ATOM 1092 C PHE A 471 -25.026 -34.364 3.409 1.00 43.44 C ATOM 1093 O PHE A 471 -25.536 -35.463 3.191 1.00 13.21 O ATOM 1094 CB PHE A 471 -24.034 -34.668 5.702 1.00 53.13 C ATOM 1095 CG PHE A 471 -22.780 -34.954 6.473 1.00 11.44 C ATOM 1096 CD1 PHE A 471 -22.173 -33.975 7.232 1.00 3.10 C ATOM 1097 CD2 PHE A 471 -22.205 -36.209 6.428 1.00 14.21 C ATOM 1098 CE1 PHE A 471 -21.015 -34.242 7.927 1.00 31.03 C ATOM 1099 CE2 PHE A 471 -21.049 -36.486 7.126 1.00 65.43 C ATOM 1100 CZ PHE A 471 -20.453 -35.499 7.877 1.00 55.55 C ATOM 0 H PHE A 471 -23.342 -32.313 4.929 1.00 5.22 H new ATOM 0 HA PHE A 471 -23.055 -34.963 3.842 1.00 42.02 H new ATOM 0 HB2 PHE A 471 -24.588 -33.876 6.205 1.00 53.13 H new ATOM 0 HB3 PHE A 471 -24.668 -35.555 5.710 1.00 53.13 H new ATOM 0 HD1 PHE A 471 -22.611 -32.989 7.282 1.00 3.10 H new ATOM 0 HD2 PHE A 471 -22.668 -36.985 5.837 1.00 14.21 H new ATOM 0 HE1 PHE A 471 -20.546 -33.465 8.512 1.00 31.03 H new ATOM 0 HE2 PHE A 471 -20.613 -37.473 7.084 1.00 65.43 H new ATOM 0 HZ PHE A 471 -19.547 -35.709 8.426 1.00 55.55 H new ATOM 1110 N LEU A 472 -25.505 -33.242 2.909 1.00 10.55 N ATOM 1111 CA LEU A 472 -26.655 -33.234 2.015 1.00 1.22 C ATOM 1112 C LEU A 472 -26.374 -33.991 0.702 1.00 15.21 C ATOM 1113 O LEU A 472 -27.286 -34.458 0.030 1.00 62.24 O ATOM 1114 CB LEU A 472 -27.195 -31.789 1.796 1.00 54.31 C ATOM 1115 CG LEU A 472 -26.198 -30.682 1.349 1.00 40.22 C ATOM 1116 CD1 LEU A 472 -25.649 -30.904 -0.054 1.00 11.33 C ATOM 1117 CD2 LEU A 472 -26.846 -29.311 1.459 1.00 64.31 C ATOM 0 H LEU A 472 -25.117 -32.319 3.105 1.00 10.55 H new ATOM 0 HA LEU A 472 -27.458 -33.787 2.501 1.00 1.22 H new ATOM 0 HB2 LEU A 472 -27.988 -31.841 1.050 1.00 54.31 H new ATOM 0 HB3 LEU A 472 -27.656 -31.463 2.728 1.00 54.31 H new ATOM 0 HG LEU A 472 -25.346 -30.735 2.026 1.00 40.22 H new ATOM 0 HD11 LEU A 472 -24.960 -30.098 -0.307 1.00 11.33 H new ATOM 0 HD12 LEU A 472 -25.122 -31.857 -0.092 1.00 11.33 H new ATOM 0 HD13 LEU A 472 -26.472 -30.915 -0.769 1.00 11.33 H new ATOM 0 HD21 LEU A 472 -26.136 -28.547 1.143 1.00 64.31 H new ATOM 0 HD22 LEU A 472 -27.728 -29.273 0.820 1.00 64.31 H new ATOM 0 HD23 LEU A 472 -27.139 -29.129 2.493 1.00 64.31 H new ATOM 1129 N PHE A 473 -25.099 -34.115 0.363 1.00 24.02 N ATOM 1130 CA PHE A 473 -24.683 -34.847 -0.824 1.00 34.02 C ATOM 1131 C PHE A 473 -24.206 -36.254 -0.417 1.00 23.00 C ATOM 1132 O PHE A 473 -24.105 -37.164 -1.240 1.00 23.11 O ATOM 1133 CB PHE A 473 -23.569 -34.061 -1.544 1.00 43.53 C ATOM 1134 CG PHE A 473 -23.080 -34.671 -2.831 1.00 43.10 C ATOM 1135 CD1 PHE A 473 -21.897 -35.393 -2.873 1.00 23.14 C ATOM 1136 CD2 PHE A 473 -23.803 -34.514 -4.001 1.00 75.21 C ATOM 1137 CE1 PHE A 473 -21.449 -35.948 -4.054 1.00 55.02 C ATOM 1138 CE2 PHE A 473 -23.358 -35.068 -5.184 1.00 54.31 C ATOM 1139 CZ PHE A 473 -22.179 -35.784 -5.211 1.00 23.25 C ATOM 0 H PHE A 473 -24.329 -33.714 0.899 1.00 24.02 H new ATOM 0 HA PHE A 473 -25.521 -34.959 -1.512 1.00 34.02 H new ATOM 0 HB2 PHE A 473 -23.934 -33.055 -1.753 1.00 43.53 H new ATOM 0 HB3 PHE A 473 -22.722 -33.958 -0.865 1.00 43.53 H new ATOM 0 HD1 PHE A 473 -21.319 -35.523 -1.970 1.00 23.14 H new ATOM 0 HD2 PHE A 473 -24.725 -33.952 -3.988 1.00 75.21 H new ATOM 0 HE1 PHE A 473 -20.527 -36.510 -4.072 1.00 55.02 H new ATOM 0 HE2 PHE A 473 -23.933 -34.941 -6.089 1.00 54.31 H new ATOM 0 HZ PHE A 473 -21.829 -36.215 -6.137 1.00 23.25 H new ATOM 1149 N TRP A 474 -23.961 -36.420 0.876 1.00 2.21 N ATOM 1150 CA TRP A 474 -23.471 -37.677 1.437 1.00 3.14 C ATOM 1151 C TRP A 474 -24.573 -38.746 1.430 1.00 41.43 C ATOM 1152 O TRP A 474 -24.299 -39.958 1.426 1.00 62.31 O ATOM 1153 CB TRP A 474 -22.936 -37.428 2.858 1.00 54.11 C ATOM 1154 CG TRP A 474 -22.433 -38.646 3.567 1.00 2.02 C ATOM 1155 CD1 TRP A 474 -21.290 -39.327 3.307 1.00 74.24 C ATOM 1156 CD2 TRP A 474 -23.049 -39.307 4.680 1.00 10.02 C ATOM 1157 NE1 TRP A 474 -21.164 -40.378 4.169 1.00 13.13 N ATOM 1158 CE2 TRP A 474 -22.226 -40.390 5.023 1.00 23.13 C ATOM 1159 CE3 TRP A 474 -24.218 -39.093 5.412 1.00 43.55 C ATOM 1160 CZ2 TRP A 474 -22.529 -41.258 6.065 1.00 23.52 C ATOM 1161 CZ3 TRP A 474 -24.518 -39.952 6.447 1.00 53.31 C ATOM 1162 CH2 TRP A 474 -23.679 -41.022 6.767 1.00 61.24 C ATOM 0 H TRP A 474 -24.096 -35.685 1.570 1.00 2.21 H new ATOM 0 HA TRP A 474 -22.656 -38.053 0.819 1.00 3.14 H new ATOM 0 HB2 TRP A 474 -22.128 -36.698 2.803 1.00 54.11 H new ATOM 0 HB3 TRP A 474 -23.730 -36.980 3.456 1.00 54.11 H new ATOM 0 HD1 TRP A 474 -20.582 -39.075 2.531 1.00 74.24 H new ATOM 0 HE1 TRP A 474 -20.396 -41.049 4.173 1.00 13.13 H new ATOM 0 HE3 TRP A 474 -24.875 -38.270 5.172 1.00 43.55 H new ATOM 0 HZ2 TRP A 474 -21.882 -42.087 6.311 1.00 23.52 H new ATOM 0 HZ3 TRP A 474 -25.419 -39.795 7.022 1.00 53.31 H new ATOM 0 HH2 TRP A 474 -23.944 -41.676 7.585 1.00 61.24 H new ATOM 1173 N SER A 475 -25.801 -38.304 1.436 1.00 65.34 N ATOM 1174 CA SER A 475 -26.930 -39.183 1.363 1.00 10.20 C ATOM 1175 C SER A 475 -28.019 -38.546 0.515 1.00 5.44 C ATOM 1176 O SER A 475 -28.887 -37.828 1.063 1.00 36.03 O ATOM 1177 CB SER A 475 -27.431 -39.538 2.762 1.00 53.05 C ATOM 1178 OG SER A 475 -26.414 -40.216 3.496 1.00 41.50 O ATOM 1179 OXT SER A 475 -27.981 -38.734 -0.728 1.00 36.03 O ATOM 0 H SER A 475 -26.045 -37.315 1.492 1.00 65.34 H new ATOM 0 HA SER A 475 -26.631 -40.116 0.886 1.00 10.20 H new ATOM 0 HB2 SER A 475 -27.727 -38.632 3.290 1.00 53.05 H new ATOM 0 HB3 SER A 475 -28.317 -40.168 2.689 1.00 53.05 H new ATOM 0 HG SER A 475 -25.897 -39.566 4.015 1.00 41.50 H new TER 1185 SER A 475