USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 709 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 508 CYS SG : rot 180:sc= -0.0667 USER MOD Set 1.2: A 511 LYS NZ :NH3+ -156:sc= 1.29 (180deg=1.19) USER MOD Set 2.1: A 503 MET CE :methyl -164:sc= -1.05 (180deg=-1.75!) USER MOD Set 2.2: A 506 GLN : amide:sc= -0.0818 K(o=-1.1,f=-3.9) USER MOD Set 3.1: A 496 LYS NZ :NH3+ -159:sc= 1.14 (180deg=-0.257) USER MOD Set 3.2: A 497 SER OG : rot 108:sc= 1.84 USER MOD Set 4.1: A 446 CYS SG : rot 18:sc= 1.67 USER MOD Set 4.2: A 494 GLN : amide:sc= 2.21 K(o=3.9,f=-5.1!) USER MOD Single : A 454 TYR OH : rot 30:sc= 0.644 USER MOD Single : A 457 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 470 THR OG1 : rot 180:sc= 0 USER MOD Single : A 474 THR OG1 : rot 42:sc= 0.0628 USER MOD Single : A 475 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 478 HIS : no HD1:sc= -0.031 X(o=-0.031,f=-0.12) USER MOD Single : A 479 MET CE :methyl -158:sc= 0 (180deg=-0.0372) USER MOD Single : A 482 ASN : amide:sc= 0.818 K(o=0.82,f=-5.5!) USER MOD Single : A 483 HIS : no HD1:sc= 0 X(o=0,f=-0.00047) USER MOD Single : A 484 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.3) USER MOD Single : A 488 SER OG : rot -100:sc= 1.22 USER MOD Single : A 495 MET CE :methyl 158:sc= -3.16! (180deg=-5.24!) USER MOD Single : A 507 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 509 HIS : no HD1:sc= -0.343 X(o=-0.34,f=0.066) USER MOD Single : A 510 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 512 ASN : amide:sc=-0.00571 X(o=-0.0057,f=-0.0057) USER MOD Single : A 513 MET CE :methyl 152:sc= 0 (180deg=-0.861) USER MOD Single : A 514 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.2) USER MOD Single : A 517 TYR OH : rot 180:sc= 0 USER MOD Single : A 522 GLN : amide:sc= 0.755 K(o=0.76,f=-1.5!) USER MOD Single : A 523 CYS SG : rot 2:sc= 0.126 USER MOD Single : A 524 SER OG : rot 180:sc= 0.179 USER MOD Single : A 528 MET CE :methyl 143:sc= -0.0493 (180deg=-1.07) USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 76 N VAL A 443 2.283 8.493 -4.137 1.00 15.23 N ATOM 77 CA VAL A 443 1.363 9.034 -3.172 1.00 52.44 C ATOM 78 C VAL A 443 0.696 7.857 -2.468 1.00 20.21 C ATOM 79 O VAL A 443 0.626 6.756 -3.039 1.00 15.43 O ATOM 80 CB VAL A 443 0.284 9.921 -3.877 1.00 55.22 C ATOM 81 CG1 VAL A 443 -0.607 10.624 -2.870 1.00 55.33 C ATOM 82 CG2 VAL A 443 0.929 10.940 -4.812 1.00 44.20 C ATOM 0 HA VAL A 443 1.892 9.664 -2.457 1.00 52.44 H new ATOM 0 HB VAL A 443 -0.338 9.252 -4.472 1.00 55.22 H new ATOM 0 HG11 VAL A 443 -1.344 11.230 -3.397 1.00 55.33 H new ATOM 0 HG12 VAL A 443 -1.119 9.882 -2.257 1.00 55.33 H new ATOM 0 HG13 VAL A 443 0.001 11.265 -2.232 1.00 55.33 H new ATOM 0 HG21 VAL A 443 0.153 11.541 -5.286 1.00 44.20 H new ATOM 0 HG22 VAL A 443 1.592 11.589 -4.241 1.00 44.20 H new ATOM 0 HG23 VAL A 443 1.503 10.419 -5.578 1.00 44.20 H new ATOM 92 N ARG A 444 0.244 8.044 -1.238 1.00 74.51 N ATOM 93 CA ARG A 444 -0.443 6.976 -0.550 1.00 53.31 C ATOM 94 C ARG A 444 -1.927 7.057 -0.830 1.00 11.43 C ATOM 95 O ARG A 444 -2.742 7.276 0.059 1.00 63.24 O ATOM 96 CB ARG A 444 -0.178 6.941 0.964 1.00 43.35 C ATOM 97 CG ARG A 444 1.282 6.863 1.329 1.00 51.23 C ATOM 98 CD ARG A 444 1.496 6.486 2.793 1.00 43.15 C ATOM 99 NE ARG A 444 1.019 5.111 3.090 1.00 31.04 N ATOM 100 CZ ARG A 444 1.710 3.981 2.800 1.00 25.11 C ATOM 101 NH1 ARG A 444 2.896 4.060 2.202 1.00 53.23 N ATOM 102 NH2 ARG A 444 1.218 2.774 3.131 1.00 13.13 N ATOM 0 H ARG A 444 0.340 8.910 -0.708 1.00 74.51 H new ATOM 0 HA ARG A 444 -0.039 6.042 -0.942 1.00 53.31 H new ATOM 0 HB2 ARG A 444 -0.608 7.833 1.419 1.00 43.35 H new ATOM 0 HB3 ARG A 444 -0.696 6.083 1.393 1.00 43.35 H new ATOM 0 HG2 ARG A 444 1.774 6.129 0.692 1.00 51.23 H new ATOM 0 HG3 ARG A 444 1.755 7.825 1.131 1.00 51.23 H new ATOM 0 HD2 ARG A 444 2.556 6.562 3.036 1.00 43.15 H new ATOM 0 HD3 ARG A 444 0.971 7.197 3.431 1.00 43.15 H new ATOM 0 HE ARG A 444 0.110 5.010 3.543 1.00 31.04 H new ATOM 0 HH11 ARG A 444 3.286 4.971 1.961 1.00 53.23 H new ATOM 0 HH12 ARG A 444 3.415 3.209 1.984 1.00 53.23 H new ATOM 0 HH21 ARG A 444 0.317 2.703 3.605 1.00 13.13 H new ATOM 0 HH22 ARG A 444 1.745 1.930 2.908 1.00 13.13 H new ATOM 116 N ASP A 445 -2.256 6.914 -2.066 1.00 62.33 N ATOM 117 CA ASP A 445 -3.628 6.997 -2.521 1.00 35.51 C ATOM 118 C ASP A 445 -4.101 5.656 -2.978 1.00 52.22 C ATOM 119 O ASP A 445 -5.176 5.518 -3.553 1.00 2.24 O ATOM 120 CB ASP A 445 -3.791 8.047 -3.641 1.00 54.03 C ATOM 121 CG ASP A 445 -2.829 7.888 -4.810 1.00 71.41 C ATOM 122 OD1 ASP A 445 -2.319 6.766 -5.065 1.00 44.44 O ATOM 123 OD2 ASP A 445 -2.549 8.911 -5.493 1.00 10.55 O ATOM 0 H ASP A 445 -1.582 6.733 -2.810 1.00 62.33 H new ATOM 0 HA ASP A 445 -4.243 7.319 -1.681 1.00 35.51 H new ATOM 0 HB2 ASP A 445 -4.812 7.998 -4.020 1.00 54.03 H new ATOM 0 HB3 ASP A 445 -3.657 9.040 -3.211 1.00 54.03 H new ATOM 128 N CYS A 446 -3.331 4.652 -2.675 1.00 5.02 N ATOM 129 CA CYS A 446 -3.661 3.349 -3.095 1.00 22.41 C ATOM 130 C CYS A 446 -4.083 2.567 -1.880 1.00 23.25 C ATOM 131 O CYS A 446 -3.694 2.889 -0.757 1.00 64.32 O ATOM 132 CB CYS A 446 -2.473 2.706 -3.778 1.00 2.11 C ATOM 133 SG CYS A 446 -1.716 3.758 -5.055 1.00 22.22 S ATOM 0 H CYS A 446 -2.469 4.726 -2.135 1.00 5.02 H new ATOM 0 HA CYS A 446 -4.477 3.370 -3.817 1.00 22.41 H new ATOM 0 HB2 CYS A 446 -1.721 2.460 -3.028 1.00 2.11 H new ATOM 0 HB3 CYS A 446 -2.789 1.767 -4.232 1.00 2.11 H new ATOM 0 HG CYS A 446 -2.098 4.989 -4.885 1.00 22.22 H new ATOM 139 N ILE A 447 -4.922 1.619 -2.076 1.00 23.31 N ATOM 140 CA ILE A 447 -5.419 0.824 -1.002 1.00 43.24 C ATOM 141 C ILE A 447 -5.314 -0.639 -1.401 1.00 21.42 C ATOM 142 O ILE A 447 -5.508 -0.969 -2.572 1.00 25.33 O ATOM 143 CB ILE A 447 -6.920 1.112 -0.765 1.00 31.20 C ATOM 144 CG1 ILE A 447 -7.279 2.544 -1.172 1.00 64.01 C ATOM 145 CG2 ILE A 447 -7.211 0.930 0.703 1.00 23.34 C ATOM 146 CD1 ILE A 447 -8.705 2.943 -0.857 1.00 24.31 C ATOM 0 H ILE A 447 -5.290 1.366 -2.993 1.00 23.31 H new ATOM 0 HA ILE A 447 -4.844 1.051 -0.104 1.00 43.24 H new ATOM 0 HB ILE A 447 -7.513 0.426 -1.371 1.00 31.20 H new ATOM 0 HG12 ILE A 447 -6.602 3.233 -0.668 1.00 64.01 H new ATOM 0 HG13 ILE A 447 -7.110 2.658 -2.243 1.00 64.01 H new ATOM 0 HG21 ILE A 447 -8.266 1.129 0.892 1.00 23.34 H new ATOM 0 HG22 ILE A 447 -6.976 -0.093 0.996 1.00 23.34 H new ATOM 0 HG23 ILE A 447 -6.602 1.623 1.283 1.00 23.34 H new ATOM 0 HD11 ILE A 447 -8.874 3.971 -1.178 1.00 24.31 H new ATOM 0 HD12 ILE A 447 -9.393 2.281 -1.383 1.00 24.31 H new ATOM 0 HD13 ILE A 447 -8.876 2.865 0.217 1.00 24.31 H new ATOM 158 N ARG A 448 -5.010 -1.496 -0.460 1.00 33.21 N ATOM 159 CA ARG A 448 -4.970 -2.904 -0.713 1.00 63.54 C ATOM 160 C ARG A 448 -6.103 -3.550 0.052 1.00 53.30 C ATOM 161 O ARG A 448 -6.180 -3.437 1.290 1.00 32.52 O ATOM 162 CB ARG A 448 -3.635 -3.521 -0.266 1.00 2.22 C ATOM 163 CG ARG A 448 -3.555 -5.038 -0.472 1.00 64.13 C ATOM 164 CD ARG A 448 -2.252 -5.624 0.064 1.00 13.31 C ATOM 165 NE ARG A 448 -2.202 -7.091 -0.112 1.00 44.10 N ATOM 166 CZ ARG A 448 -1.189 -7.898 0.254 1.00 13.15 C ATOM 167 NH1 ARG A 448 -0.081 -7.404 0.804 1.00 51.45 N ATOM 168 NH2 ARG A 448 -1.297 -9.203 0.059 1.00 12.33 N ATOM 0 H ARG A 448 -4.785 -1.233 0.499 1.00 33.21 H new ATOM 0 HA ARG A 448 -5.070 -3.075 -1.785 1.00 63.54 H new ATOM 0 HB2 ARG A 448 -2.823 -3.046 -0.817 1.00 2.22 H new ATOM 0 HB3 ARG A 448 -3.478 -3.298 0.789 1.00 2.22 H new ATOM 0 HG2 ARG A 448 -4.398 -5.516 0.026 1.00 64.13 H new ATOM 0 HG3 ARG A 448 -3.643 -5.264 -1.535 1.00 64.13 H new ATOM 0 HD2 ARG A 448 -1.407 -5.166 -0.451 1.00 13.31 H new ATOM 0 HD3 ARG A 448 -2.151 -5.380 1.122 1.00 13.31 H new ATOM 0 HE ARG A 448 -3.010 -7.532 -0.551 1.00 44.10 H new ATOM 0 HH11 ARG A 448 0.010 -6.399 0.954 1.00 51.45 H new ATOM 0 HH12 ARG A 448 0.677 -8.031 1.075 1.00 51.45 H new ATOM 0 HH21 ARG A 448 -2.142 -9.587 -0.365 1.00 12.33 H new ATOM 0 HH22 ARG A 448 -0.536 -9.824 0.332 1.00 12.33 H new ATOM 182 N LEU A 449 -6.986 -4.172 -0.656 1.00 71.13 N ATOM 183 CA LEU A 449 -8.065 -4.885 -0.048 1.00 65.10 C ATOM 184 C LEU A 449 -7.596 -6.307 0.060 1.00 35.12 C ATOM 185 O LEU A 449 -6.915 -6.797 -0.853 1.00 35.30 O ATOM 186 CB LEU A 449 -9.305 -4.886 -0.933 1.00 41.45 C ATOM 187 CG LEU A 449 -9.675 -3.597 -1.685 1.00 70.25 C ATOM 188 CD1 LEU A 449 -10.969 -3.803 -2.423 1.00 54.22 C ATOM 189 CD2 LEU A 449 -9.786 -2.401 -0.762 1.00 60.52 C ATOM 0 H LEU A 449 -6.982 -4.202 -1.676 1.00 71.13 H new ATOM 0 HA LEU A 449 -8.324 -4.426 0.906 1.00 65.10 H new ATOM 0 HB2 LEU A 449 -9.183 -5.677 -1.673 1.00 41.45 H new ATOM 0 HB3 LEU A 449 -10.156 -5.161 -0.310 1.00 41.45 H new ATOM 0 HG LEU A 449 -8.872 -3.382 -2.389 1.00 70.25 H new ATOM 0 HD11 LEU A 449 -11.233 -2.890 -2.957 1.00 54.22 H new ATOM 0 HD12 LEU A 449 -10.855 -4.620 -3.136 1.00 54.22 H new ATOM 0 HD13 LEU A 449 -11.758 -4.049 -1.712 1.00 54.22 H new ATOM 0 HD21 LEU A 449 -10.049 -1.517 -1.342 1.00 60.52 H new ATOM 0 HD22 LEU A 449 -10.558 -2.588 -0.015 1.00 60.52 H new ATOM 0 HD23 LEU A 449 -8.831 -2.237 -0.263 1.00 60.52 H new ATOM 201 N ARG A 450 -7.913 -6.968 1.120 1.00 54.13 N ATOM 202 CA ARG A 450 -7.480 -8.326 1.261 1.00 11.54 C ATOM 203 C ARG A 450 -8.556 -9.139 1.929 1.00 43.11 C ATOM 204 O ARG A 450 -9.176 -8.706 2.904 1.00 75.02 O ATOM 205 CB ARG A 450 -6.205 -8.379 2.082 1.00 41.42 C ATOM 206 CG ARG A 450 -5.145 -9.319 1.547 1.00 74.23 C ATOM 207 CD ARG A 450 -5.570 -10.771 1.559 1.00 73.02 C ATOM 208 NE ARG A 450 -4.684 -11.564 0.731 1.00 4.52 N ATOM 209 CZ ARG A 450 -4.297 -12.807 0.942 1.00 53.30 C ATOM 210 NH1 ARG A 450 -4.601 -13.428 2.080 1.00 54.42 N ATOM 211 NH2 ARG A 450 -3.584 -13.417 0.004 1.00 11.35 N ATOM 0 H ARG A 450 -8.464 -6.601 1.896 1.00 54.13 H new ATOM 0 HA ARG A 450 -7.283 -8.742 0.273 1.00 11.54 H new ATOM 0 HB2 ARG A 450 -5.785 -7.375 2.140 1.00 41.42 H new ATOM 0 HB3 ARG A 450 -6.457 -8.679 3.099 1.00 41.42 H new ATOM 0 HG2 ARG A 450 -4.895 -9.030 0.526 1.00 74.23 H new ATOM 0 HG3 ARG A 450 -4.238 -9.208 2.141 1.00 74.23 H new ATOM 0 HD2 ARG A 450 -5.560 -11.151 2.581 1.00 73.02 H new ATOM 0 HD3 ARG A 450 -6.594 -10.860 1.196 1.00 73.02 H new ATOM 0 HE ARG A 450 -4.320 -11.111 -0.107 1.00 4.52 H new ATOM 0 HH11 ARG A 450 -5.138 -12.942 2.798 1.00 54.42 H new ATOM 0 HH12 ARG A 450 -4.297 -14.389 2.233 1.00 54.42 H new ATOM 0 HH21 ARG A 450 -3.347 -12.925 -0.857 1.00 11.35 H new ATOM 0 HH22 ARG A 450 -3.273 -14.378 0.144 1.00 11.35 H new ATOM 225 N GLY A 451 -8.768 -10.281 1.392 1.00 74.12 N ATOM 226 CA GLY A 451 -9.730 -11.212 1.923 1.00 15.42 C ATOM 227 C GLY A 451 -11.034 -11.174 1.170 1.00 33.13 C ATOM 228 O GLY A 451 -12.069 -11.574 1.699 1.00 61.14 O ATOM 0 H GLY A 451 -8.280 -10.614 0.560 1.00 74.12 H new ATOM 0 HA2 GLY A 451 -9.318 -12.220 1.882 1.00 15.42 H new ATOM 0 HA3 GLY A 451 -9.912 -10.984 2.973 1.00 15.42 H new ATOM 232 N LEU A 452 -10.979 -10.696 -0.067 1.00 1.22 N ATOM 233 CA LEU A 452 -12.156 -10.576 -0.924 1.00 1.34 C ATOM 234 C LEU A 452 -12.787 -11.941 -1.227 1.00 32.23 C ATOM 235 O LEU A 452 -12.079 -12.957 -1.316 1.00 62.42 O ATOM 236 CB LEU A 452 -11.806 -9.880 -2.244 1.00 31.30 C ATOM 237 CG LEU A 452 -11.336 -8.430 -2.161 1.00 70.41 C ATOM 238 CD1 LEU A 452 -10.978 -7.932 -3.540 1.00 54.25 C ATOM 239 CD2 LEU A 452 -12.414 -7.544 -1.555 1.00 10.43 C ATOM 0 H LEU A 452 -10.115 -10.379 -0.507 1.00 1.22 H new ATOM 0 HA LEU A 452 -12.880 -9.974 -0.375 1.00 1.34 H new ATOM 0 HB2 LEU A 452 -11.026 -10.461 -2.737 1.00 31.30 H new ATOM 0 HB3 LEU A 452 -12.684 -9.915 -2.888 1.00 31.30 H new ATOM 0 HG LEU A 452 -10.457 -8.388 -1.518 1.00 70.41 H new ATOM 0 HD11 LEU A 452 -10.643 -6.897 -3.477 1.00 54.25 H new ATOM 0 HD12 LEU A 452 -10.179 -8.548 -3.953 1.00 54.25 H new ATOM 0 HD13 LEU A 452 -11.853 -7.992 -4.187 1.00 54.25 H new ATOM 0 HD21 LEU A 452 -12.055 -6.516 -1.507 1.00 10.43 H new ATOM 0 HD22 LEU A 452 -13.310 -7.587 -2.174 1.00 10.43 H new ATOM 0 HD23 LEU A 452 -12.650 -7.894 -0.550 1.00 10.43 H new ATOM 251 N PRO A 453 -14.129 -11.982 -1.325 1.00 13.45 N ATOM 252 CA PRO A 453 -14.870 -13.183 -1.683 1.00 42.32 C ATOM 253 C PRO A 453 -14.462 -13.778 -3.018 1.00 1.43 C ATOM 254 O PRO A 453 -13.913 -13.098 -3.915 1.00 13.41 O ATOM 255 CB PRO A 453 -16.311 -12.721 -1.819 1.00 35.04 C ATOM 256 CG PRO A 453 -16.405 -11.425 -1.117 1.00 64.01 C ATOM 257 CD PRO A 453 -15.023 -10.862 -1.014 1.00 24.13 C ATOM 0 HA PRO A 453 -14.692 -13.950 -0.930 1.00 42.32 H new ATOM 0 HB2 PRO A 453 -16.587 -12.615 -2.868 1.00 35.04 H new ATOM 0 HB3 PRO A 453 -16.994 -13.449 -1.382 1.00 35.04 H new ATOM 0 HG2 PRO A 453 -17.057 -10.742 -1.661 1.00 64.01 H new ATOM 0 HG3 PRO A 453 -16.839 -11.558 -0.126 1.00 64.01 H new ATOM 0 HD2 PRO A 453 -14.880 -10.038 -1.713 1.00 24.13 H new ATOM 0 HD3 PRO A 453 -14.831 -10.470 -0.015 1.00 24.13 H new ATOM 265 N TYR A 454 -14.803 -15.014 -3.167 1.00 3.34 N ATOM 266 CA TYR A 454 -14.573 -15.743 -4.341 1.00 52.44 C ATOM 267 C TYR A 454 -15.587 -15.343 -5.358 1.00 43.50 C ATOM 268 O TYR A 454 -16.770 -15.689 -5.271 1.00 22.33 O ATOM 269 CB TYR A 454 -14.595 -17.252 -4.105 1.00 70.34 C ATOM 270 CG TYR A 454 -14.374 -18.068 -5.371 1.00 63.03 C ATOM 271 CD1 TYR A 454 -15.445 -18.648 -6.045 1.00 64.10 C ATOM 272 CD2 TYR A 454 -13.100 -18.239 -5.901 1.00 4.21 C ATOM 273 CE1 TYR A 454 -15.253 -19.370 -7.203 1.00 23.12 C ATOM 274 CE2 TYR A 454 -12.902 -18.965 -7.061 1.00 53.13 C ATOM 275 CZ TYR A 454 -13.984 -19.527 -7.705 1.00 42.24 C ATOM 276 OH TYR A 454 -13.795 -20.244 -8.861 1.00 31.23 O ATOM 0 H TYR A 454 -15.268 -15.554 -2.437 1.00 3.34 H new ATOM 0 HA TYR A 454 -13.571 -15.511 -4.703 1.00 52.44 H new ATOM 0 HB2 TYR A 454 -13.825 -17.509 -3.377 1.00 70.34 H new ATOM 0 HB3 TYR A 454 -15.554 -17.529 -3.666 1.00 70.34 H new ATOM 0 HD1 TYR A 454 -16.445 -18.530 -5.653 1.00 64.10 H new ATOM 0 HD2 TYR A 454 -12.252 -17.798 -5.399 1.00 4.21 H new ATOM 0 HE1 TYR A 454 -16.097 -19.810 -7.714 1.00 23.12 H new ATOM 0 HE2 TYR A 454 -11.906 -19.091 -7.460 1.00 53.13 H new ATOM 0 HH TYR A 454 -14.588 -20.162 -9.430 1.00 31.23 H new ATOM 286 N ALA A 455 -15.123 -14.484 -6.184 1.00 33.44 N ATOM 287 CA ALA A 455 -15.797 -13.991 -7.386 1.00 3.34 C ATOM 288 C ALA A 455 -16.633 -12.775 -7.103 1.00 11.43 C ATOM 289 O ALA A 455 -17.655 -12.535 -7.768 1.00 64.42 O ATOM 290 CB ALA A 455 -16.573 -15.080 -8.140 1.00 65.51 C ATOM 0 H ALA A 455 -14.204 -14.061 -6.056 1.00 33.44 H new ATOM 0 HA ALA A 455 -15.006 -13.679 -8.068 1.00 3.34 H new ATOM 0 HB1 ALA A 455 -17.048 -14.646 -9.020 1.00 65.51 H new ATOM 0 HB2 ALA A 455 -15.886 -15.868 -8.450 1.00 65.51 H new ATOM 0 HB3 ALA A 455 -17.337 -15.501 -7.486 1.00 65.51 H new ATOM 296 N ALA A 456 -16.189 -11.994 -6.119 1.00 62.34 N ATOM 297 CA ALA A 456 -16.777 -10.693 -5.836 1.00 3.31 C ATOM 298 C ALA A 456 -16.763 -9.867 -7.121 1.00 12.11 C ATOM 299 O ALA A 456 -15.702 -9.671 -7.737 1.00 10.45 O ATOM 300 CB ALA A 456 -15.991 -9.981 -4.745 1.00 31.12 C ATOM 0 H ALA A 456 -15.417 -12.246 -5.502 1.00 62.34 H new ATOM 0 HA ALA A 456 -17.801 -10.819 -5.485 1.00 3.31 H new ATOM 0 HB1 ALA A 456 -16.444 -9.010 -4.545 1.00 31.12 H new ATOM 0 HB2 ALA A 456 -16.005 -10.582 -3.836 1.00 31.12 H new ATOM 0 HB3 ALA A 456 -14.961 -9.841 -5.071 1.00 31.12 H new ATOM 306 N THR A 457 -17.918 -9.443 -7.537 1.00 61.21 N ATOM 307 CA THR A 457 -18.093 -8.765 -8.765 1.00 52.34 C ATOM 308 C THR A 457 -17.730 -7.285 -8.657 1.00 41.14 C ATOM 309 O THR A 457 -17.540 -6.751 -7.549 1.00 2.43 O ATOM 310 CB THR A 457 -19.533 -8.965 -9.208 1.00 11.03 C ATOM 311 OG1 THR A 457 -20.379 -8.803 -8.073 1.00 70.02 O ATOM 312 CG2 THR A 457 -19.739 -10.352 -9.798 1.00 52.33 C ATOM 0 H THR A 457 -18.782 -9.568 -7.010 1.00 61.21 H new ATOM 0 HA THR A 457 -17.416 -9.178 -9.513 1.00 52.34 H new ATOM 0 HB THR A 457 -19.773 -8.232 -9.978 1.00 11.03 H new ATOM 0 HG1 THR A 457 -21.313 -8.927 -8.341 1.00 70.02 H new ATOM 0 HG21 THR A 457 -20.778 -10.466 -10.106 1.00 52.33 H new ATOM 0 HG22 THR A 457 -19.088 -10.480 -10.663 1.00 52.33 H new ATOM 0 HG23 THR A 457 -19.498 -11.106 -9.048 1.00 52.33 H new ATOM 320 N ILE A 458 -17.652 -6.622 -9.791 1.00 11.32 N ATOM 321 CA ILE A 458 -17.211 -5.238 -9.835 1.00 41.52 C ATOM 322 C ILE A 458 -18.216 -4.291 -9.151 1.00 65.01 C ATOM 323 O ILE A 458 -17.831 -3.317 -8.550 1.00 31.02 O ATOM 324 CB ILE A 458 -16.870 -4.776 -11.288 1.00 64.34 C ATOM 325 CG1 ILE A 458 -16.065 -3.466 -11.275 1.00 1.25 C ATOM 326 CG2 ILE A 458 -18.136 -4.619 -12.138 1.00 2.15 C ATOM 327 CD1 ILE A 458 -15.549 -3.047 -12.642 1.00 72.12 C ATOM 0 H ILE A 458 -17.889 -7.018 -10.700 1.00 11.32 H new ATOM 0 HA ILE A 458 -16.285 -5.185 -9.262 1.00 41.52 H new ATOM 0 HB ILE A 458 -16.255 -5.554 -11.741 1.00 64.34 H new ATOM 0 HG12 ILE A 458 -16.692 -2.670 -10.874 1.00 1.25 H new ATOM 0 HG13 ILE A 458 -15.219 -3.577 -10.597 1.00 1.25 H new ATOM 0 HG21 ILE A 458 -17.862 -4.297 -13.143 1.00 2.15 H new ATOM 0 HG22 ILE A 458 -18.658 -5.574 -12.193 1.00 2.15 H new ATOM 0 HG23 ILE A 458 -18.789 -3.874 -11.683 1.00 2.15 H new ATOM 0 HD11 ILE A 458 -14.992 -2.115 -12.550 1.00 72.12 H new ATOM 0 HD12 ILE A 458 -14.895 -3.824 -13.038 1.00 72.12 H new ATOM 0 HD13 ILE A 458 -16.390 -2.902 -13.320 1.00 72.12 H new ATOM 339 N GLU A 459 -19.488 -4.610 -9.202 1.00 31.45 N ATOM 340 CA GLU A 459 -20.470 -3.774 -8.526 1.00 41.00 C ATOM 341 C GLU A 459 -20.502 -4.096 -7.039 1.00 34.43 C ATOM 342 O GLU A 459 -20.766 -3.233 -6.199 1.00 73.42 O ATOM 343 CB GLU A 459 -21.853 -3.918 -9.139 1.00 42.43 C ATOM 344 CG GLU A 459 -21.959 -3.407 -10.562 1.00 53.22 C ATOM 345 CD GLU A 459 -23.310 -3.681 -11.162 1.00 4.34 C ATOM 346 OE1 GLU A 459 -24.306 -3.063 -10.732 1.00 33.33 O ATOM 347 OE2 GLU A 459 -23.407 -4.532 -12.085 1.00 63.35 O ATOM 0 H GLU A 459 -19.868 -5.421 -9.690 1.00 31.45 H new ATOM 0 HA GLU A 459 -20.167 -2.735 -8.655 1.00 41.00 H new ATOM 0 HB2 GLU A 459 -22.138 -4.970 -9.121 1.00 42.43 H new ATOM 0 HB3 GLU A 459 -22.571 -3.382 -8.518 1.00 42.43 H new ATOM 0 HG2 GLU A 459 -21.767 -2.334 -10.577 1.00 53.22 H new ATOM 0 HG3 GLU A 459 -21.189 -3.877 -11.174 1.00 53.22 H new ATOM 354 N ASP A 460 -20.162 -5.330 -6.726 1.00 21.04 N ATOM 355 CA ASP A 460 -20.155 -5.831 -5.361 1.00 70.11 C ATOM 356 C ASP A 460 -19.037 -5.147 -4.589 1.00 31.21 C ATOM 357 O ASP A 460 -19.208 -4.743 -3.427 1.00 4.43 O ATOM 358 CB ASP A 460 -19.936 -7.347 -5.384 1.00 25.30 C ATOM 359 CG ASP A 460 -20.233 -8.060 -4.087 1.00 11.23 C ATOM 360 OD1 ASP A 460 -21.339 -8.643 -3.963 1.00 43.13 O ATOM 361 OD2 ASP A 460 -19.375 -8.108 -3.198 1.00 21.34 O ATOM 0 H ASP A 460 -19.879 -6.023 -7.418 1.00 21.04 H new ATOM 0 HA ASP A 460 -21.107 -5.618 -4.875 1.00 70.11 H new ATOM 0 HB2 ASP A 460 -20.561 -7.776 -6.167 1.00 25.30 H new ATOM 0 HB3 ASP A 460 -18.900 -7.544 -5.659 1.00 25.30 H new ATOM 366 N ILE A 461 -17.907 -4.977 -5.257 1.00 61.03 N ATOM 367 CA ILE A 461 -16.765 -4.319 -4.670 1.00 31.33 C ATOM 368 C ILE A 461 -17.044 -2.808 -4.519 1.00 75.22 C ATOM 369 O ILE A 461 -16.615 -2.187 -3.556 1.00 61.32 O ATOM 370 CB ILE A 461 -15.439 -4.597 -5.484 1.00 53.23 C ATOM 371 CG1 ILE A 461 -14.200 -4.217 -4.670 1.00 43.42 C ATOM 372 CG2 ILE A 461 -15.423 -3.859 -6.816 1.00 12.24 C ATOM 373 CD1 ILE A 461 -12.891 -4.540 -5.368 1.00 65.44 C ATOM 0 H ILE A 461 -17.762 -5.292 -6.216 1.00 61.03 H new ATOM 0 HA ILE A 461 -16.604 -4.737 -3.676 1.00 31.33 H new ATOM 0 HB ILE A 461 -15.417 -5.668 -5.687 1.00 53.23 H new ATOM 0 HG12 ILE A 461 -14.232 -3.149 -4.452 1.00 43.42 H new ATOM 0 HG13 ILE A 461 -14.230 -4.738 -3.713 1.00 43.42 H new ATOM 0 HG21 ILE A 461 -14.494 -4.078 -7.342 1.00 12.24 H new ATOM 0 HG22 ILE A 461 -16.269 -4.184 -7.422 1.00 12.24 H new ATOM 0 HG23 ILE A 461 -15.495 -2.786 -6.638 1.00 12.24 H new ATOM 0 HD11 ILE A 461 -12.057 -4.243 -4.732 1.00 65.44 H new ATOM 0 HD12 ILE A 461 -12.837 -5.611 -5.562 1.00 65.44 H new ATOM 0 HD13 ILE A 461 -12.839 -3.998 -6.312 1.00 65.44 H new ATOM 385 N LEU A 462 -17.821 -2.241 -5.451 1.00 33.14 N ATOM 386 CA LEU A 462 -18.179 -0.827 -5.387 1.00 32.34 C ATOM 387 C LEU A 462 -19.100 -0.570 -4.212 1.00 64.45 C ATOM 388 O LEU A 462 -18.958 0.436 -3.517 1.00 75.55 O ATOM 389 CB LEU A 462 -18.819 -0.335 -6.691 1.00 44.12 C ATOM 390 CG LEU A 462 -17.961 -0.419 -7.957 1.00 12.41 C ATOM 391 CD1 LEU A 462 -18.742 0.070 -9.160 1.00 54.13 C ATOM 392 CD2 LEU A 462 -16.668 0.370 -7.808 1.00 14.42 C ATOM 0 H LEU A 462 -18.209 -2.740 -6.251 1.00 33.14 H new ATOM 0 HA LEU A 462 -17.257 -0.262 -5.247 1.00 32.34 H new ATOM 0 HB2 LEU A 462 -19.730 -0.909 -6.860 1.00 44.12 H new ATOM 0 HB3 LEU A 462 -19.118 0.704 -6.552 1.00 44.12 H new ATOM 0 HG LEU A 462 -17.697 -1.465 -8.110 1.00 12.41 H new ATOM 0 HD11 LEU A 462 -18.117 0.003 -10.051 1.00 54.13 H new ATOM 0 HD12 LEU A 462 -19.630 -0.548 -9.293 1.00 54.13 H new ATOM 0 HD13 LEU A 462 -19.041 1.106 -9.003 1.00 54.13 H new ATOM 0 HD21 LEU A 462 -16.084 0.288 -8.725 1.00 14.42 H new ATOM 0 HD22 LEU A 462 -16.901 1.418 -7.618 1.00 14.42 H new ATOM 0 HD23 LEU A 462 -16.092 -0.030 -6.974 1.00 14.42 H new ATOM 404 N ASP A 463 -20.034 -1.493 -3.987 1.00 33.31 N ATOM 405 CA ASP A 463 -20.932 -1.440 -2.827 1.00 31.22 C ATOM 406 C ASP A 463 -20.114 -1.380 -1.569 1.00 11.25 C ATOM 407 O ASP A 463 -20.272 -0.481 -0.740 1.00 60.22 O ATOM 408 CB ASP A 463 -21.795 -2.696 -2.765 1.00 3.44 C ATOM 409 CG ASP A 463 -22.672 -2.748 -1.521 1.00 35.54 C ATOM 410 OD1 ASP A 463 -23.725 -2.088 -1.482 1.00 34.53 O ATOM 411 OD2 ASP A 463 -22.314 -3.471 -0.550 1.00 52.20 O ATOM 0 H ASP A 463 -20.192 -2.295 -4.597 1.00 33.31 H new ATOM 0 HA ASP A 463 -21.567 -0.559 -2.922 1.00 31.22 H new ATOM 0 HB2 ASP A 463 -22.427 -2.741 -3.652 1.00 3.44 H new ATOM 0 HB3 ASP A 463 -21.151 -3.575 -2.787 1.00 3.44 H new ATOM 416 N PHE A 464 -19.208 -2.328 -1.477 1.00 10.13 N ATOM 417 CA PHE A 464 -18.290 -2.472 -0.339 1.00 60.03 C ATOM 418 C PHE A 464 -17.517 -1.184 -0.065 1.00 14.21 C ATOM 419 O PHE A 464 -17.298 -0.812 1.093 1.00 55.11 O ATOM 420 CB PHE A 464 -17.321 -3.637 -0.584 1.00 70.42 C ATOM 421 CG PHE A 464 -16.224 -3.754 0.439 1.00 53.15 C ATOM 422 CD1 PHE A 464 -16.495 -4.187 1.724 1.00 35.12 C ATOM 423 CD2 PHE A 464 -14.917 -3.427 0.109 1.00 2.20 C ATOM 424 CE1 PHE A 464 -15.490 -4.294 2.660 1.00 62.12 C ATOM 425 CE2 PHE A 464 -13.909 -3.531 1.041 1.00 63.03 C ATOM 426 CZ PHE A 464 -14.197 -3.965 2.321 1.00 44.51 C ATOM 0 H PHE A 464 -19.076 -3.039 -2.196 1.00 10.13 H new ATOM 0 HA PHE A 464 -18.891 -2.686 0.545 1.00 60.03 H new ATOM 0 HB2 PHE A 464 -17.887 -4.568 -0.601 1.00 70.42 H new ATOM 0 HB3 PHE A 464 -16.872 -3.519 -1.570 1.00 70.42 H new ATOM 0 HD1 PHE A 464 -17.508 -4.445 1.997 1.00 35.12 H new ATOM 0 HD2 PHE A 464 -14.688 -3.087 -0.890 1.00 2.20 H new ATOM 0 HE1 PHE A 464 -15.716 -4.636 3.659 1.00 62.12 H new ATOM 0 HE2 PHE A 464 -12.895 -3.274 0.772 1.00 63.03 H new ATOM 0 HZ PHE A 464 -13.409 -4.046 3.055 1.00 44.51 H new ATOM 436 N LEU A 465 -17.115 -0.523 -1.120 1.00 43.34 N ATOM 437 CA LEU A 465 -16.397 0.724 -1.017 1.00 1.50 C ATOM 438 C LEU A 465 -17.302 1.866 -0.579 1.00 61.41 C ATOM 439 O LEU A 465 -16.885 2.747 0.179 1.00 53.33 O ATOM 440 CB LEU A 465 -15.759 1.071 -2.349 1.00 51.15 C ATOM 441 CG LEU A 465 -14.651 0.143 -2.843 1.00 61.44 C ATOM 442 CD1 LEU A 465 -14.193 0.573 -4.222 1.00 33.52 C ATOM 443 CD2 LEU A 465 -13.475 0.136 -1.870 1.00 4.33 C ATOM 0 H LEU A 465 -17.276 -0.834 -2.078 1.00 43.34 H new ATOM 0 HA LEU A 465 -15.626 0.592 -0.258 1.00 1.50 H new ATOM 0 HB2 LEU A 465 -16.543 1.096 -3.105 1.00 51.15 H new ATOM 0 HB3 LEU A 465 -15.351 2.079 -2.278 1.00 51.15 H new ATOM 0 HG LEU A 465 -15.048 -0.870 -2.901 1.00 61.44 H new ATOM 0 HD11 LEU A 465 -13.403 -0.094 -4.567 1.00 33.52 H new ATOM 0 HD12 LEU A 465 -15.033 0.529 -4.915 1.00 33.52 H new ATOM 0 HD13 LEU A 465 -13.813 1.594 -4.177 1.00 33.52 H new ATOM 0 HD21 LEU A 465 -12.698 -0.532 -2.243 1.00 4.33 H new ATOM 0 HD22 LEU A 465 -13.073 1.145 -1.778 1.00 4.33 H new ATOM 0 HD23 LEU A 465 -13.813 -0.210 -0.893 1.00 4.33 H new ATOM 455 N GLY A 466 -18.530 1.854 -1.040 1.00 23.03 N ATOM 456 CA GLY A 466 -19.421 2.926 -0.720 1.00 12.52 C ATOM 457 C GLY A 466 -19.117 4.157 -1.511 1.00 52.34 C ATOM 458 O GLY A 466 -18.766 4.094 -2.704 1.00 13.22 O ATOM 0 H GLY A 466 -18.925 1.121 -1.630 1.00 23.03 H new ATOM 0 HA2 GLY A 466 -20.448 2.615 -0.913 1.00 12.52 H new ATOM 0 HA3 GLY A 466 -19.351 3.151 0.344 1.00 12.52 H new ATOM 462 N GLU A 467 -19.220 5.257 -0.851 1.00 71.14 N ATOM 463 CA GLU A 467 -18.940 6.579 -1.424 1.00 71.11 C ATOM 464 C GLU A 467 -17.484 6.748 -1.852 1.00 11.40 C ATOM 465 O GLU A 467 -17.165 7.622 -2.651 1.00 70.02 O ATOM 466 CB GLU A 467 -19.333 7.678 -0.448 1.00 3.52 C ATOM 467 CG GLU A 467 -20.825 7.825 -0.272 1.00 35.44 C ATOM 468 CD GLU A 467 -21.509 8.304 -1.533 1.00 62.33 C ATOM 469 OE1 GLU A 467 -21.845 7.487 -2.408 1.00 71.33 O ATOM 470 OE2 GLU A 467 -21.736 9.515 -1.673 1.00 75.04 O ATOM 0 H GLU A 467 -19.506 5.291 0.127 1.00 71.14 H new ATOM 0 HA GLU A 467 -19.546 6.660 -2.327 1.00 71.11 H new ATOM 0 HB2 GLU A 467 -18.880 7.470 0.521 1.00 3.52 H new ATOM 0 HB3 GLU A 467 -18.922 8.626 -0.796 1.00 3.52 H new ATOM 0 HG2 GLU A 467 -21.249 6.866 0.027 1.00 35.44 H new ATOM 0 HG3 GLU A 467 -21.025 8.528 0.536 1.00 35.44 H new ATOM 477 N PHE A 468 -16.610 5.900 -1.353 1.00 54.22 N ATOM 478 CA PHE A 468 -15.207 5.972 -1.702 1.00 64.13 C ATOM 479 C PHE A 468 -14.983 5.540 -3.148 1.00 3.24 C ATOM 480 O PHE A 468 -14.032 5.956 -3.797 1.00 75.31 O ATOM 481 CB PHE A 468 -14.362 5.169 -0.719 1.00 45.34 C ATOM 482 CG PHE A 468 -14.493 5.687 0.685 1.00 71.04 C ATOM 483 CD1 PHE A 468 -13.771 6.791 1.097 1.00 10.31 C ATOM 484 CD2 PHE A 468 -15.352 5.084 1.584 1.00 75.45 C ATOM 485 CE1 PHE A 468 -13.908 7.279 2.374 1.00 52.41 C ATOM 486 CE2 PHE A 468 -15.490 5.567 2.868 1.00 10.53 C ATOM 487 CZ PHE A 468 -14.769 6.664 3.262 1.00 72.31 C ATOM 0 H PHE A 468 -16.847 5.151 -0.703 1.00 54.22 H new ATOM 0 HA PHE A 468 -14.883 7.010 -1.627 1.00 64.13 H new ATOM 0 HB2 PHE A 468 -14.665 4.123 -0.750 1.00 45.34 H new ATOM 0 HB3 PHE A 468 -13.316 5.207 -1.024 1.00 45.34 H new ATOM 0 HD1 PHE A 468 -13.093 7.274 0.409 1.00 10.31 H new ATOM 0 HD2 PHE A 468 -15.924 4.221 1.276 1.00 75.45 H new ATOM 0 HE1 PHE A 468 -13.342 8.145 2.684 1.00 52.41 H new ATOM 0 HE2 PHE A 468 -16.163 5.083 3.560 1.00 10.53 H new ATOM 0 HZ PHE A 468 -14.874 7.047 4.266 1.00 72.31 H new ATOM 497 N ALA A 469 -15.924 4.777 -3.677 1.00 25.34 N ATOM 498 CA ALA A 469 -15.882 4.333 -5.058 1.00 34.30 C ATOM 499 C ALA A 469 -16.135 5.507 -6.007 1.00 14.44 C ATOM 500 O ALA A 469 -15.909 5.419 -7.204 1.00 43.21 O ATOM 501 CB ALA A 469 -16.894 3.231 -5.293 1.00 73.43 C ATOM 0 H ALA A 469 -16.739 4.448 -3.160 1.00 25.34 H new ATOM 0 HA ALA A 469 -14.888 3.935 -5.261 1.00 34.30 H new ATOM 0 HB1 ALA A 469 -16.848 2.911 -6.334 1.00 73.43 H new ATOM 0 HB2 ALA A 469 -16.669 2.386 -4.643 1.00 73.43 H new ATOM 0 HB3 ALA A 469 -17.895 3.603 -5.072 1.00 73.43 H new ATOM 507 N THR A 470 -16.627 6.591 -5.466 1.00 2.23 N ATOM 508 CA THR A 470 -16.924 7.756 -6.232 1.00 42.55 C ATOM 509 C THR A 470 -15.640 8.612 -6.481 1.00 13.12 C ATOM 510 O THR A 470 -15.591 9.410 -7.420 1.00 52.14 O ATOM 511 CB THR A 470 -18.013 8.565 -5.498 1.00 0.01 C ATOM 512 OG1 THR A 470 -19.074 7.649 -5.127 1.00 74.32 O ATOM 513 CG2 THR A 470 -18.598 9.654 -6.393 1.00 33.22 C ATOM 0 H THR A 470 -16.832 6.683 -4.471 1.00 2.23 H new ATOM 0 HA THR A 470 -17.296 7.463 -7.214 1.00 42.55 H new ATOM 0 HB THR A 470 -17.570 9.044 -4.625 1.00 0.01 H new ATOM 0 HG1 THR A 470 -19.780 8.139 -4.656 1.00 74.32 H new ATOM 0 HG21 THR A 470 -19.362 10.204 -5.844 1.00 33.22 H new ATOM 0 HG22 THR A 470 -17.806 10.338 -6.698 1.00 33.22 H new ATOM 0 HG23 THR A 470 -19.044 9.198 -7.277 1.00 33.22 H new ATOM 521 N ASP A 471 -14.588 8.386 -5.683 1.00 51.03 N ATOM 522 CA ASP A 471 -13.359 9.179 -5.794 1.00 22.35 C ATOM 523 C ASP A 471 -12.194 8.308 -6.296 1.00 4.23 C ATOM 524 O ASP A 471 -11.022 8.660 -6.183 1.00 31.22 O ATOM 525 CB ASP A 471 -13.016 9.876 -4.450 1.00 31.42 C ATOM 526 CG ASP A 471 -11.967 10.992 -4.586 1.00 5.12 C ATOM 527 OD1 ASP A 471 -10.815 10.849 -4.096 1.00 74.42 O ATOM 528 OD2 ASP A 471 -12.298 12.058 -5.182 1.00 65.03 O ATOM 0 H ASP A 471 -14.564 7.667 -4.960 1.00 51.03 H new ATOM 0 HA ASP A 471 -13.527 9.966 -6.530 1.00 22.35 H new ATOM 0 HB2 ASP A 471 -13.928 10.296 -4.025 1.00 31.42 H new ATOM 0 HB3 ASP A 471 -12.650 9.129 -3.746 1.00 31.42 H new ATOM 533 N ILE A 472 -12.534 7.154 -6.844 1.00 14.30 N ATOM 534 CA ILE A 472 -11.562 6.238 -7.399 1.00 33.23 C ATOM 535 C ILE A 472 -10.910 6.874 -8.646 1.00 30.35 C ATOM 536 O ILE A 472 -11.566 7.644 -9.373 1.00 53.22 O ATOM 537 CB ILE A 472 -12.243 4.877 -7.786 1.00 73.10 C ATOM 538 CG1 ILE A 472 -11.197 3.857 -8.245 1.00 72.44 C ATOM 539 CG2 ILE A 472 -13.306 5.075 -8.875 1.00 43.44 C ATOM 540 CD1 ILE A 472 -11.764 2.503 -8.629 1.00 63.22 C ATOM 0 H ILE A 472 -13.498 6.828 -6.915 1.00 14.30 H new ATOM 0 HA ILE A 472 -10.797 6.038 -6.649 1.00 33.23 H new ATOM 0 HB ILE A 472 -12.738 4.492 -6.895 1.00 73.10 H new ATOM 0 HG12 ILE A 472 -10.659 4.267 -9.100 1.00 72.44 H new ATOM 0 HG13 ILE A 472 -10.468 3.718 -7.446 1.00 72.44 H new ATOM 0 HG21 ILE A 472 -13.759 4.114 -9.121 1.00 43.44 H new ATOM 0 HG22 ILE A 472 -14.075 5.757 -8.513 1.00 43.44 H new ATOM 0 HG23 ILE A 472 -12.840 5.495 -9.766 1.00 43.44 H new ATOM 0 HD11 ILE A 472 -10.953 1.844 -8.941 1.00 63.22 H new ATOM 0 HD12 ILE A 472 -12.277 2.067 -7.772 1.00 63.22 H new ATOM 0 HD13 ILE A 472 -12.470 2.624 -9.451 1.00 63.22 H new ATOM 552 N ARG A 473 -9.639 6.602 -8.872 1.00 43.22 N ATOM 553 CA ARG A 473 -8.973 7.112 -10.051 1.00 45.54 C ATOM 554 C ARG A 473 -9.387 6.235 -11.218 1.00 4.53 C ATOM 555 O ARG A 473 -9.787 5.078 -11.009 1.00 20.32 O ATOM 556 CB ARG A 473 -7.430 7.138 -9.839 1.00 32.51 C ATOM 557 CG ARG A 473 -6.606 7.837 -10.939 1.00 2.11 C ATOM 558 CD ARG A 473 -6.095 6.873 -12.018 1.00 52.11 C ATOM 559 NE ARG A 473 -5.026 5.994 -11.514 1.00 3.41 N ATOM 560 CZ ARG A 473 -4.488 4.942 -12.163 1.00 54.01 C ATOM 561 NH1 ARG A 473 -5.023 4.482 -13.292 1.00 64.14 N ATOM 562 NH2 ARG A 473 -3.435 4.319 -11.640 1.00 62.51 N ATOM 0 H ARG A 473 -9.052 6.035 -8.259 1.00 43.22 H new ATOM 0 HA ARG A 473 -9.263 8.142 -10.256 1.00 45.54 H new ATOM 0 HB2 ARG A 473 -7.222 7.631 -8.889 1.00 32.51 H new ATOM 0 HB3 ARG A 473 -7.079 6.110 -9.748 1.00 32.51 H new ATOM 0 HG2 ARG A 473 -7.219 8.606 -11.409 1.00 2.11 H new ATOM 0 HG3 ARG A 473 -5.756 8.343 -10.481 1.00 2.11 H new ATOM 0 HD2 ARG A 473 -6.923 6.264 -12.381 1.00 52.11 H new ATOM 0 HD3 ARG A 473 -5.723 7.445 -12.868 1.00 52.11 H new ATOM 0 HE ARG A 473 -4.658 6.201 -10.586 1.00 3.41 H new ATOM 0 HH11 ARG A 473 -5.855 4.927 -13.681 1.00 64.14 H new ATOM 0 HH12 ARG A 473 -4.601 3.685 -13.768 1.00 64.14 H new ATOM 0 HH21 ARG A 473 -3.041 4.638 -10.755 1.00 62.51 H new ATOM 0 HH22 ARG A 473 -3.022 3.522 -12.124 1.00 62.51 H new ATOM 576 N THR A 474 -9.323 6.778 -12.404 1.00 44.04 N ATOM 577 CA THR A 474 -9.701 6.093 -13.610 1.00 4.21 C ATOM 578 C THR A 474 -8.946 4.763 -13.759 1.00 43.14 C ATOM 579 O THR A 474 -7.717 4.759 -13.867 1.00 51.14 O ATOM 580 CB THR A 474 -9.439 7.022 -14.808 1.00 20.10 C ATOM 581 OG1 THR A 474 -8.137 7.641 -14.668 1.00 32.32 O ATOM 582 CG2 THR A 474 -10.500 8.100 -14.895 1.00 14.22 C ATOM 0 H THR A 474 -8.999 7.732 -12.562 1.00 44.04 H new ATOM 0 HA THR A 474 -10.762 5.847 -13.568 1.00 4.21 H new ATOM 0 HB THR A 474 -9.471 6.426 -15.720 1.00 20.10 H new ATOM 0 HG1 THR A 474 -7.489 6.974 -14.358 1.00 32.32 H new ATOM 0 HG21 THR A 474 -10.294 8.745 -15.749 1.00 14.22 H new ATOM 0 HG22 THR A 474 -11.479 7.638 -15.017 1.00 14.22 H new ATOM 0 HG23 THR A 474 -10.491 8.694 -13.981 1.00 14.22 H new ATOM 590 N HIS A 475 -9.694 3.644 -13.698 1.00 21.14 N ATOM 591 CA HIS A 475 -9.130 2.276 -13.740 1.00 51.24 C ATOM 592 C HIS A 475 -8.226 1.996 -12.548 1.00 14.41 C ATOM 593 O HIS A 475 -7.366 1.135 -12.606 1.00 20.42 O ATOM 594 CB HIS A 475 -8.380 1.981 -15.052 1.00 11.31 C ATOM 595 CG HIS A 475 -9.264 1.776 -16.233 1.00 23.40 C ATOM 596 ND1 HIS A 475 -9.585 0.537 -16.736 1.00 3.14 N ATOM 597 CD2 HIS A 475 -9.865 2.674 -17.039 1.00 32.23 C ATOM 598 CE1 HIS A 475 -10.351 0.709 -17.809 1.00 14.23 C ATOM 599 NE2 HIS A 475 -10.553 1.997 -18.043 1.00 13.43 N ATOM 0 H HIS A 475 -10.711 3.661 -13.618 1.00 21.14 H new ATOM 0 HA HIS A 475 -9.987 1.604 -13.690 1.00 51.24 H new ATOM 0 HB2 HIS A 475 -7.700 2.807 -15.261 1.00 11.31 H new ATOM 0 HB3 HIS A 475 -7.767 1.091 -14.913 1.00 11.31 H new ATOM 0 HD2 HIS A 475 -9.820 3.747 -16.924 1.00 32.23 H new ATOM 0 HE1 HIS A 475 -10.754 -0.093 -18.409 1.00 14.23 H new ATOM 0 HE2 HIS A 475 -11.099 2.408 -18.801 1.00 13.43 H new ATOM 607 N GLY A 476 -8.471 2.690 -11.453 1.00 44.04 N ATOM 608 CA GLY A 476 -7.667 2.531 -10.263 1.00 31.30 C ATOM 609 C GLY A 476 -7.825 1.173 -9.599 1.00 71.11 C ATOM 610 O GLY A 476 -6.978 0.775 -8.808 1.00 33.52 O ATOM 0 H GLY A 476 -9.225 3.372 -11.366 1.00 44.04 H new ATOM 0 HA2 GLY A 476 -6.618 2.680 -10.520 1.00 31.30 H new ATOM 0 HA3 GLY A 476 -7.934 3.309 -9.548 1.00 31.30 H new ATOM 614 N VAL A 477 -8.898 0.477 -9.907 1.00 5.40 N ATOM 615 CA VAL A 477 -9.157 -0.828 -9.335 1.00 14.34 C ATOM 616 C VAL A 477 -8.466 -1.958 -10.123 1.00 33.41 C ATOM 617 O VAL A 477 -8.771 -2.220 -11.301 1.00 35.40 O ATOM 618 CB VAL A 477 -10.692 -1.099 -9.161 1.00 14.24 C ATOM 619 CG1 VAL A 477 -11.456 -0.931 -10.467 1.00 73.12 C ATOM 620 CG2 VAL A 477 -10.956 -2.478 -8.554 1.00 3.23 C ATOM 0 H VAL A 477 -9.614 0.798 -10.559 1.00 5.40 H new ATOM 0 HA VAL A 477 -8.716 -0.822 -8.338 1.00 14.34 H new ATOM 0 HB VAL A 477 -11.062 -0.346 -8.465 1.00 14.24 H new ATOM 0 HG11 VAL A 477 -12.514 -1.129 -10.297 1.00 73.12 H new ATOM 0 HG12 VAL A 477 -11.331 0.088 -10.833 1.00 73.12 H new ATOM 0 HG13 VAL A 477 -11.070 -1.632 -11.207 1.00 73.12 H new ATOM 0 HG21 VAL A 477 -12.030 -2.630 -8.449 1.00 3.23 H new ATOM 0 HG22 VAL A 477 -10.543 -3.248 -9.206 1.00 3.23 H new ATOM 0 HG23 VAL A 477 -10.483 -2.541 -7.574 1.00 3.23 H new ATOM 630 N HIS A 478 -7.526 -2.592 -9.473 1.00 23.53 N ATOM 631 CA HIS A 478 -6.793 -3.713 -10.022 1.00 71.01 C ATOM 632 C HIS A 478 -6.907 -4.896 -9.089 1.00 41.45 C ATOM 633 O HIS A 478 -6.435 -4.846 -7.951 1.00 44.41 O ATOM 634 CB HIS A 478 -5.309 -3.359 -10.227 1.00 34.41 C ATOM 635 CG HIS A 478 -5.045 -2.378 -11.330 1.00 53.41 C ATOM 636 ND1 HIS A 478 -5.084 -1.008 -11.179 1.00 12.53 N ATOM 637 CD2 HIS A 478 -4.712 -2.601 -12.622 1.00 72.23 C ATOM 638 CE1 HIS A 478 -4.780 -0.455 -12.355 1.00 73.15 C ATOM 639 NE2 HIS A 478 -4.544 -1.382 -13.272 1.00 2.41 N ATOM 0 H HIS A 478 -7.239 -2.342 -8.527 1.00 23.53 H new ATOM 0 HA HIS A 478 -7.222 -3.962 -10.992 1.00 71.01 H new ATOM 0 HB2 HIS A 478 -4.915 -2.953 -9.296 1.00 34.41 H new ATOM 0 HB3 HIS A 478 -4.756 -4.275 -10.434 1.00 34.41 H new ATOM 0 HD2 HIS A 478 -4.595 -3.573 -13.078 1.00 72.23 H new ATOM 0 HE1 HIS A 478 -4.733 0.609 -12.536 1.00 73.15 H new ATOM 0 HE2 HIS A 478 -4.292 -1.233 -14.249 1.00 2.41 H new ATOM 647 N MET A 479 -7.563 -5.931 -9.533 1.00 65.05 N ATOM 648 CA MET A 479 -7.700 -7.131 -8.733 1.00 74.14 C ATOM 649 C MET A 479 -6.532 -8.041 -9.013 1.00 72.22 C ATOM 650 O MET A 479 -6.136 -8.206 -10.166 1.00 43.43 O ATOM 651 CB MET A 479 -9.008 -7.870 -9.038 1.00 62.11 C ATOM 652 CG MET A 479 -10.272 -7.076 -8.749 1.00 11.30 C ATOM 653 SD MET A 479 -11.771 -8.017 -9.113 1.00 61.20 S ATOM 654 CE MET A 479 -13.040 -6.828 -8.673 1.00 24.14 C ATOM 0 H MET A 479 -8.015 -5.975 -10.446 1.00 65.05 H new ATOM 0 HA MET A 479 -7.718 -6.842 -7.682 1.00 74.14 H new ATOM 0 HB2 MET A 479 -9.009 -8.158 -10.089 1.00 62.11 H new ATOM 0 HB3 MET A 479 -9.033 -8.791 -8.455 1.00 62.11 H new ATOM 0 HG2 MET A 479 -10.279 -6.777 -7.701 1.00 11.30 H new ATOM 0 HG3 MET A 479 -10.267 -6.161 -9.341 1.00 11.30 H new ATOM 0 HE1 MET A 479 -13.973 -7.352 -8.465 1.00 24.14 H new ATOM 0 HE2 MET A 479 -12.729 -6.275 -7.787 1.00 24.14 H new ATOM 0 HE3 MET A 479 -13.190 -6.134 -9.500 1.00 24.14 H new ATOM 664 N VAL A 480 -5.981 -8.618 -7.984 1.00 73.33 N ATOM 665 CA VAL A 480 -4.849 -9.497 -8.138 1.00 65.10 C ATOM 666 C VAL A 480 -5.350 -10.902 -8.400 1.00 24.11 C ATOM 667 O VAL A 480 -6.119 -11.463 -7.595 1.00 34.22 O ATOM 668 CB VAL A 480 -3.947 -9.495 -6.875 1.00 72.42 C ATOM 669 CG1 VAL A 480 -2.714 -10.377 -7.067 1.00 13.45 C ATOM 670 CG2 VAL A 480 -3.535 -8.077 -6.505 1.00 21.31 C ATOM 0 H VAL A 480 -6.297 -8.497 -7.022 1.00 73.33 H new ATOM 0 HA VAL A 480 -4.249 -9.142 -8.976 1.00 65.10 H new ATOM 0 HB VAL A 480 -4.532 -9.911 -6.055 1.00 72.42 H new ATOM 0 HG11 VAL A 480 -2.105 -10.352 -6.163 1.00 13.45 H new ATOM 0 HG12 VAL A 480 -3.027 -11.402 -7.266 1.00 13.45 H new ATOM 0 HG13 VAL A 480 -2.129 -10.007 -7.909 1.00 13.45 H new ATOM 0 HG21 VAL A 480 -2.903 -8.102 -5.617 1.00 21.31 H new ATOM 0 HG22 VAL A 480 -2.982 -7.632 -7.332 1.00 21.31 H new ATOM 0 HG23 VAL A 480 -4.425 -7.481 -6.301 1.00 21.31 H new ATOM 680 N LEU A 481 -4.962 -11.451 -9.518 1.00 1.54 N ATOM 681 CA LEU A 481 -5.352 -12.784 -9.879 1.00 15.42 C ATOM 682 C LEU A 481 -4.287 -13.746 -9.408 1.00 11.34 C ATOM 683 O LEU A 481 -3.144 -13.347 -9.152 1.00 2.22 O ATOM 684 CB LEU A 481 -5.533 -12.912 -11.397 1.00 43.31 C ATOM 685 CG LEU A 481 -6.566 -11.983 -12.050 1.00 1.23 C ATOM 686 CD1 LEU A 481 -6.608 -12.217 -13.549 1.00 44.42 C ATOM 687 CD2 LEU A 481 -7.950 -12.187 -11.444 1.00 75.43 C ATOM 0 H LEU A 481 -4.367 -10.986 -10.204 1.00 1.54 H new ATOM 0 HA LEU A 481 -6.306 -13.016 -9.406 1.00 15.42 H new ATOM 0 HB2 LEU A 481 -4.568 -12.734 -11.871 1.00 43.31 H new ATOM 0 HB3 LEU A 481 -5.812 -13.942 -11.621 1.00 43.31 H new ATOM 0 HG LEU A 481 -6.263 -10.953 -11.860 1.00 1.23 H new ATOM 0 HD11 LEU A 481 -7.344 -11.552 -14.001 1.00 44.42 H new ATOM 0 HD12 LEU A 481 -5.626 -12.015 -13.977 1.00 44.42 H new ATOM 0 HD13 LEU A 481 -6.884 -13.253 -13.748 1.00 44.42 H new ATOM 0 HD21 LEU A 481 -8.661 -11.516 -11.926 1.00 75.43 H new ATOM 0 HD22 LEU A 481 -8.265 -13.219 -11.596 1.00 75.43 H new ATOM 0 HD23 LEU A 481 -7.915 -11.972 -10.376 1.00 75.43 H new ATOM 699 N ASN A 482 -4.652 -14.976 -9.263 1.00 22.43 N ATOM 700 CA ASN A 482 -3.725 -15.990 -8.838 1.00 74.12 C ATOM 701 C ASN A 482 -3.410 -16.848 -10.072 1.00 73.32 C ATOM 702 O ASN A 482 -3.911 -16.539 -11.161 1.00 10.11 O ATOM 703 CB ASN A 482 -4.376 -16.826 -7.728 1.00 60.24 C ATOM 704 CG ASN A 482 -3.383 -17.542 -6.816 1.00 53.42 C ATOM 705 OD1 ASN A 482 -2.245 -17.852 -7.197 1.00 30.20 O ATOM 706 ND2 ASN A 482 -3.819 -17.842 -5.626 1.00 32.22 N ATOM 0 H ASN A 482 -5.599 -15.314 -9.434 1.00 22.43 H new ATOM 0 HA ASN A 482 -2.804 -15.565 -8.438 1.00 74.12 H new ATOM 0 HB2 ASN A 482 -5.005 -16.175 -7.121 1.00 60.24 H new ATOM 0 HB3 ASN A 482 -5.032 -17.567 -8.185 1.00 60.24 H new ATOM 0 HD21 ASN A 482 -3.218 -18.347 -4.975 1.00 32.22 H new ATOM 0 HD22 ASN A 482 -4.761 -17.571 -5.345 1.00 32.22 H new ATOM 713 N HIS A 483 -2.650 -17.928 -9.903 1.00 70.13 N ATOM 714 CA HIS A 483 -2.205 -18.808 -11.016 1.00 0.51 C ATOM 715 C HIS A 483 -3.376 -19.297 -11.854 1.00 64.32 C ATOM 716 O HIS A 483 -3.303 -19.347 -13.075 1.00 13.43 O ATOM 717 CB HIS A 483 -1.458 -20.036 -10.483 1.00 53.24 C ATOM 718 CG HIS A 483 -0.218 -19.746 -9.700 1.00 41.13 C ATOM 719 ND1 HIS A 483 -0.024 -20.144 -8.398 1.00 51.32 N ATOM 720 CD2 HIS A 483 0.927 -19.148 -10.080 1.00 33.33 C ATOM 721 CE1 HIS A 483 1.208 -19.788 -8.039 1.00 5.13 C ATOM 722 NE2 HIS A 483 1.831 -19.174 -9.029 1.00 60.41 N ATOM 0 H HIS A 483 -2.316 -18.231 -8.988 1.00 70.13 H new ATOM 0 HA HIS A 483 -1.543 -18.204 -11.636 1.00 0.51 H new ATOM 0 HB2 HIS A 483 -2.139 -20.608 -9.853 1.00 53.24 H new ATOM 0 HB3 HIS A 483 -1.193 -20.673 -11.327 1.00 53.24 H new ATOM 0 HD2 HIS A 483 1.112 -18.715 -11.052 1.00 33.33 H new ATOM 0 HE1 HIS A 483 1.640 -19.976 -7.067 1.00 5.13 H new ATOM 0 HE2 HIS A 483 2.779 -18.798 -9.022 1.00 60.41 H new ATOM 730 N GLN A 484 -4.455 -19.625 -11.185 1.00 53.21 N ATOM 731 CA GLN A 484 -5.655 -20.154 -11.807 1.00 63.44 C ATOM 732 C GLN A 484 -6.379 -19.087 -12.677 1.00 43.00 C ATOM 733 O GLN A 484 -7.252 -19.416 -13.494 1.00 62.23 O ATOM 734 CB GLN A 484 -6.575 -20.698 -10.705 1.00 53.53 C ATOM 735 CG GLN A 484 -7.818 -21.422 -11.186 1.00 45.22 C ATOM 736 CD GLN A 484 -8.664 -21.933 -10.040 1.00 52.33 C ATOM 737 OE1 GLN A 484 -8.687 -21.356 -8.951 1.00 51.24 O ATOM 738 NE2 GLN A 484 -9.358 -23.006 -10.263 1.00 55.23 N ATOM 0 H GLN A 484 -4.530 -19.531 -10.172 1.00 53.21 H new ATOM 0 HA GLN A 484 -5.379 -20.960 -12.487 1.00 63.44 H new ATOM 0 HB2 GLN A 484 -5.999 -21.380 -10.079 1.00 53.53 H new ATOM 0 HB3 GLN A 484 -6.883 -19.867 -10.071 1.00 53.53 H new ATOM 0 HG2 GLN A 484 -8.413 -20.748 -11.802 1.00 45.22 H new ATOM 0 HG3 GLN A 484 -7.526 -22.259 -11.820 1.00 45.22 H new ATOM 0 HE21 GLN A 484 -9.317 -23.460 -11.176 1.00 55.23 H new ATOM 0 HE22 GLN A 484 -9.945 -23.396 -9.526 1.00 55.23 H new ATOM 747 N GLY A 485 -5.985 -17.831 -12.532 1.00 74.54 N ATOM 748 CA GLY A 485 -6.610 -16.764 -13.271 1.00 75.22 C ATOM 749 C GLY A 485 -7.856 -16.274 -12.583 1.00 72.32 C ATOM 750 O GLY A 485 -8.755 -15.709 -13.211 1.00 12.32 O ATOM 0 H GLY A 485 -5.235 -17.534 -11.908 1.00 74.54 H new ATOM 0 HA2 GLY A 485 -5.907 -15.939 -13.385 1.00 75.22 H new ATOM 0 HA3 GLY A 485 -6.859 -17.111 -14.274 1.00 75.22 H new ATOM 754 N ARG A 486 -7.904 -16.489 -11.286 1.00 43.53 N ATOM 755 CA ARG A 486 -9.033 -16.113 -10.462 1.00 34.45 C ATOM 756 C ARG A 486 -8.487 -15.303 -9.311 1.00 72.43 C ATOM 757 O ARG A 486 -7.310 -15.461 -8.988 1.00 24.34 O ATOM 758 CB ARG A 486 -9.796 -17.371 -9.975 1.00 34.41 C ATOM 759 CG ARG A 486 -10.323 -18.217 -11.124 1.00 32.42 C ATOM 760 CD ARG A 486 -11.118 -19.429 -10.674 1.00 0.12 C ATOM 761 NE ARG A 486 -11.421 -20.286 -11.832 1.00 50.35 N ATOM 762 CZ ARG A 486 -12.039 -21.473 -11.808 1.00 3.43 C ATOM 763 NH1 ARG A 486 -12.654 -21.895 -10.708 1.00 61.14 N ATOM 764 NH2 ARG A 486 -12.083 -22.208 -12.918 1.00 32.24 N ATOM 0 H ARG A 486 -7.149 -16.936 -10.766 1.00 43.53 H new ATOM 0 HA ARG A 486 -9.753 -15.520 -11.025 1.00 34.45 H new ATOM 0 HB2 ARG A 486 -9.133 -17.977 -9.357 1.00 34.41 H new ATOM 0 HB3 ARG A 486 -10.629 -17.064 -9.343 1.00 34.41 H new ATOM 0 HG2 ARG A 486 -10.953 -17.596 -11.761 1.00 32.42 H new ATOM 0 HG3 ARG A 486 -9.483 -18.550 -11.733 1.00 32.42 H new ATOM 0 HD2 ARG A 486 -10.551 -19.992 -9.932 1.00 0.12 H new ATOM 0 HD3 ARG A 486 -12.043 -19.110 -10.194 1.00 0.12 H new ATOM 0 HE ARG A 486 -11.130 -19.940 -12.746 1.00 50.35 H new ATOM 0 HH11 ARG A 486 -12.658 -21.312 -9.871 1.00 61.14 H new ATOM 0 HH12 ARG A 486 -13.122 -22.801 -10.701 1.00 61.14 H new ATOM 0 HH21 ARG A 486 -11.648 -21.865 -13.775 1.00 32.24 H new ATOM 0 HH22 ARG A 486 -12.551 -23.114 -12.911 1.00 32.24 H new ATOM 778 N PRO A 487 -9.283 -14.392 -8.724 1.00 54.21 N ATOM 779 CA PRO A 487 -8.828 -13.492 -7.656 1.00 31.50 C ATOM 780 C PRO A 487 -8.109 -14.186 -6.486 1.00 51.05 C ATOM 781 O PRO A 487 -8.540 -15.230 -5.975 1.00 20.35 O ATOM 782 CB PRO A 487 -10.119 -12.806 -7.165 1.00 62.13 C ATOM 783 CG PRO A 487 -11.238 -13.590 -7.771 1.00 54.55 C ATOM 784 CD PRO A 487 -10.696 -14.143 -9.054 1.00 61.31 C ATOM 0 HA PRO A 487 -8.075 -12.807 -8.046 1.00 31.50 H new ATOM 0 HB2 PRO A 487 -10.178 -12.813 -6.077 1.00 62.13 H new ATOM 0 HB3 PRO A 487 -10.154 -11.763 -7.480 1.00 62.13 H new ATOM 0 HG2 PRO A 487 -11.561 -14.390 -7.105 1.00 54.55 H new ATOM 0 HG3 PRO A 487 -12.106 -12.957 -7.953 1.00 54.55 H new ATOM 0 HD2 PRO A 487 -11.210 -15.057 -9.351 1.00 61.31 H new ATOM 0 HD3 PRO A 487 -10.802 -13.436 -9.877 1.00 61.31 H new ATOM 792 N SER A 488 -7.009 -13.587 -6.085 1.00 34.54 N ATOM 793 CA SER A 488 -6.231 -14.031 -4.958 1.00 52.11 C ATOM 794 C SER A 488 -6.944 -13.619 -3.661 1.00 33.25 C ATOM 795 O SER A 488 -6.718 -14.186 -2.594 1.00 61.12 O ATOM 796 CB SER A 488 -4.822 -13.389 -5.040 1.00 73.13 C ATOM 797 OG SER A 488 -3.999 -13.739 -3.940 1.00 64.24 O ATOM 0 H SER A 488 -6.626 -12.761 -6.545 1.00 34.54 H new ATOM 0 HA SER A 488 -6.126 -15.116 -4.967 1.00 52.11 H new ATOM 0 HB2 SER A 488 -4.338 -13.701 -5.965 1.00 73.13 H new ATOM 0 HB3 SER A 488 -4.923 -12.305 -5.083 1.00 73.13 H new ATOM 0 HG SER A 488 -3.990 -13.004 -3.292 1.00 64.24 H new ATOM 803 N GLY A 489 -7.842 -12.663 -3.787 1.00 23.31 N ATOM 804 CA GLY A 489 -8.512 -12.122 -2.637 1.00 31.35 C ATOM 805 C GLY A 489 -7.897 -10.800 -2.288 1.00 53.21 C ATOM 806 O GLY A 489 -8.316 -10.123 -1.354 1.00 74.14 O ATOM 0 H GLY A 489 -8.120 -12.249 -4.677 1.00 23.31 H new ATOM 0 HA2 GLY A 489 -9.575 -11.999 -2.844 1.00 31.35 H new ATOM 0 HA3 GLY A 489 -8.429 -12.809 -1.795 1.00 31.35 H new ATOM 810 N ASP A 490 -6.891 -10.455 -3.049 1.00 52.24 N ATOM 811 CA ASP A 490 -6.156 -9.228 -2.918 1.00 54.43 C ATOM 812 C ASP A 490 -6.586 -8.318 -4.042 1.00 65.11 C ATOM 813 O ASP A 490 -6.854 -8.791 -5.162 1.00 72.34 O ATOM 814 CB ASP A 490 -4.646 -9.482 -3.102 1.00 14.35 C ATOM 815 CG ASP A 490 -4.033 -10.410 -2.096 1.00 32.31 C ATOM 816 OD1 ASP A 490 -3.539 -9.931 -1.075 1.00 64.43 O ATOM 817 OD2 ASP A 490 -4.042 -11.647 -2.302 1.00 43.50 O ATOM 0 H ASP A 490 -6.549 -11.046 -3.807 1.00 52.24 H new ATOM 0 HA ASP A 490 -6.344 -8.800 -1.934 1.00 54.43 H new ATOM 0 HB2 ASP A 490 -4.480 -9.890 -4.099 1.00 14.35 H new ATOM 0 HB3 ASP A 490 -4.124 -8.526 -3.058 1.00 14.35 H new ATOM 822 N ALA A 491 -6.665 -7.059 -3.772 1.00 61.12 N ATOM 823 CA ALA A 491 -6.970 -6.077 -4.781 1.00 52.13 C ATOM 824 C ALA A 491 -6.342 -4.780 -4.393 1.00 1.13 C ATOM 825 O ALA A 491 -6.181 -4.503 -3.218 1.00 4.45 O ATOM 826 CB ALA A 491 -8.470 -5.897 -4.947 1.00 15.25 C ATOM 0 H ALA A 491 -6.520 -6.670 -2.840 1.00 61.12 H new ATOM 0 HA ALA A 491 -6.572 -6.420 -5.736 1.00 52.13 H new ATOM 0 HB1 ALA A 491 -8.664 -5.149 -5.716 1.00 15.25 H new ATOM 0 HB2 ALA A 491 -8.920 -6.845 -5.241 1.00 15.25 H new ATOM 0 HB3 ALA A 491 -8.904 -5.567 -4.003 1.00 15.25 H new ATOM 832 N PHE A 492 -5.962 -4.017 -5.350 1.00 14.33 N ATOM 833 CA PHE A 492 -5.398 -2.726 -5.114 1.00 25.23 C ATOM 834 C PHE A 492 -6.224 -1.703 -5.831 1.00 52.44 C ATOM 835 O PHE A 492 -6.516 -1.851 -7.017 1.00 4.43 O ATOM 836 CB PHE A 492 -3.964 -2.652 -5.598 1.00 63.33 C ATOM 837 CG PHE A 492 -2.969 -3.363 -4.744 1.00 43.32 C ATOM 838 CD1 PHE A 492 -2.302 -2.681 -3.745 1.00 12.53 C ATOM 839 CD2 PHE A 492 -2.683 -4.700 -4.949 1.00 65.24 C ATOM 840 CE1 PHE A 492 -1.370 -3.316 -2.966 1.00 73.35 C ATOM 841 CE2 PHE A 492 -1.754 -5.341 -4.168 1.00 2.51 C ATOM 842 CZ PHE A 492 -1.096 -4.645 -3.176 1.00 11.33 C ATOM 0 H PHE A 492 -6.032 -4.268 -6.336 1.00 14.33 H new ATOM 0 HA PHE A 492 -5.398 -2.535 -4.041 1.00 25.23 H new ATOM 0 HB2 PHE A 492 -3.915 -3.065 -6.606 1.00 63.33 H new ATOM 0 HB3 PHE A 492 -3.675 -1.603 -5.669 1.00 63.33 H new ATOM 0 HD1 PHE A 492 -2.517 -1.636 -3.576 1.00 12.53 H new ATOM 0 HD2 PHE A 492 -3.194 -5.244 -5.729 1.00 65.24 H new ATOM 0 HE1 PHE A 492 -0.853 -2.773 -2.189 1.00 73.35 H new ATOM 0 HE2 PHE A 492 -1.539 -6.387 -4.330 1.00 2.51 H new ATOM 0 HZ PHE A 492 -0.363 -5.147 -2.562 1.00 11.33 H new ATOM 852 N ILE A 493 -6.635 -0.710 -5.126 1.00 41.35 N ATOM 853 CA ILE A 493 -7.431 0.335 -5.697 1.00 52.23 C ATOM 854 C ILE A 493 -6.766 1.647 -5.445 1.00 24.21 C ATOM 855 O ILE A 493 -6.388 1.943 -4.329 1.00 72.24 O ATOM 856 CB ILE A 493 -8.859 0.369 -5.104 1.00 54.21 C ATOM 857 CG1 ILE A 493 -9.553 -0.978 -5.311 1.00 70.44 C ATOM 858 CG2 ILE A 493 -9.683 1.509 -5.714 1.00 51.21 C ATOM 859 CD1 ILE A 493 -10.963 -1.038 -4.788 1.00 33.15 C ATOM 0 H ILE A 493 -6.432 -0.592 -4.133 1.00 41.35 H new ATOM 0 HA ILE A 493 -7.519 0.142 -6.766 1.00 52.23 H new ATOM 0 HB ILE A 493 -8.780 0.555 -4.033 1.00 54.21 H new ATOM 0 HG12 ILE A 493 -9.564 -1.207 -6.377 1.00 70.44 H new ATOM 0 HG13 ILE A 493 -8.964 -1.755 -4.823 1.00 70.44 H new ATOM 0 HG21 ILE A 493 -10.682 1.509 -5.279 1.00 51.21 H new ATOM 0 HG22 ILE A 493 -9.196 2.462 -5.505 1.00 51.21 H new ATOM 0 HG23 ILE A 493 -9.757 1.368 -6.792 1.00 51.21 H new ATOM 0 HD11 ILE A 493 -11.379 -2.028 -4.976 1.00 33.15 H new ATOM 0 HD12 ILE A 493 -10.962 -0.843 -3.716 1.00 33.15 H new ATOM 0 HD13 ILE A 493 -11.571 -0.287 -5.293 1.00 33.15 H new ATOM 871 N GLN A 494 -6.590 2.396 -6.470 1.00 22.51 N ATOM 872 CA GLN A 494 -6.018 3.702 -6.345 1.00 61.53 C ATOM 873 C GLN A 494 -7.113 4.743 -6.431 1.00 3.44 C ATOM 874 O GLN A 494 -7.899 4.775 -7.399 1.00 55.11 O ATOM 875 CB GLN A 494 -4.952 3.958 -7.405 1.00 74.32 C ATOM 876 CG GLN A 494 -4.236 5.283 -7.213 1.00 2.01 C ATOM 877 CD GLN A 494 -3.194 5.546 -8.259 1.00 54.25 C ATOM 878 OE1 GLN A 494 -3.478 6.144 -9.292 1.00 33.22 O ATOM 879 NE2 GLN A 494 -1.993 5.112 -8.019 1.00 22.23 N ATOM 0 H GLN A 494 -6.835 2.129 -7.423 1.00 22.51 H new ATOM 0 HA GLN A 494 -5.527 3.768 -5.374 1.00 61.53 H new ATOM 0 HB2 GLN A 494 -4.222 3.149 -7.382 1.00 74.32 H new ATOM 0 HB3 GLN A 494 -5.416 3.941 -8.391 1.00 74.32 H new ATOM 0 HG2 GLN A 494 -4.968 6.090 -7.227 1.00 2.01 H new ATOM 0 HG3 GLN A 494 -3.766 5.296 -6.229 1.00 2.01 H new ATOM 0 HE21 GLN A 494 -1.793 4.619 -7.149 1.00 22.23 H new ATOM 0 HE22 GLN A 494 -1.250 5.265 -8.701 1.00 22.23 H new ATOM 888 N MET A 495 -7.190 5.556 -5.427 1.00 25.33 N ATOM 889 CA MET A 495 -8.146 6.621 -5.380 1.00 73.14 C ATOM 890 C MET A 495 -7.489 7.890 -5.833 1.00 12.04 C ATOM 891 O MET A 495 -6.280 7.926 -6.043 1.00 40.21 O ATOM 892 CB MET A 495 -8.740 6.787 -3.981 1.00 64.44 C ATOM 893 CG MET A 495 -9.503 5.568 -3.492 1.00 3.44 C ATOM 894 SD MET A 495 -10.368 5.854 -1.934 1.00 73.42 S ATOM 895 CE MET A 495 -11.522 7.116 -2.434 1.00 64.12 C ATOM 0 H MET A 495 -6.586 5.501 -4.607 1.00 25.33 H new ATOM 0 HA MET A 495 -8.972 6.378 -6.048 1.00 73.14 H new ATOM 0 HB2 MET A 495 -7.936 7.007 -3.279 1.00 64.44 H new ATOM 0 HB3 MET A 495 -9.409 7.648 -3.980 1.00 64.44 H new ATOM 0 HG2 MET A 495 -10.225 5.269 -4.252 1.00 3.44 H new ATOM 0 HG3 MET A 495 -8.808 4.737 -3.368 1.00 3.44 H new ATOM 0 HE1 MET A 495 -12.365 7.132 -1.744 1.00 64.12 H new ATOM 0 HE2 MET A 495 -11.026 8.087 -2.424 1.00 64.12 H new ATOM 0 HE3 MET A 495 -11.881 6.902 -3.441 1.00 64.12 H new ATOM 905 N LYS A 496 -8.267 8.910 -6.006 1.00 5.44 N ATOM 906 CA LYS A 496 -7.762 10.166 -6.481 1.00 51.44 C ATOM 907 C LYS A 496 -7.002 10.871 -5.378 1.00 2.32 C ATOM 908 O LYS A 496 -5.953 11.492 -5.613 1.00 42.41 O ATOM 909 CB LYS A 496 -8.917 11.055 -6.907 1.00 53.10 C ATOM 910 CG LYS A 496 -8.514 12.187 -7.842 1.00 35.44 C ATOM 911 CD LYS A 496 -9.674 13.129 -8.166 1.00 11.00 C ATOM 912 CE LYS A 496 -9.915 14.225 -7.106 1.00 23.22 C ATOM 913 NZ LYS A 496 -10.288 13.731 -5.754 1.00 41.45 N ATOM 0 H LYS A 496 -9.270 8.900 -5.823 1.00 5.44 H new ATOM 0 HA LYS A 496 -7.100 9.975 -7.326 1.00 51.44 H new ATOM 0 HB2 LYS A 496 -9.672 10.442 -7.399 1.00 53.10 H new ATOM 0 HB3 LYS A 496 -9.382 11.480 -6.018 1.00 53.10 H new ATOM 0 HG2 LYS A 496 -7.705 12.758 -7.386 1.00 35.44 H new ATOM 0 HG3 LYS A 496 -8.124 11.766 -8.769 1.00 35.44 H new ATOM 0 HD2 LYS A 496 -9.483 13.605 -9.128 1.00 11.00 H new ATOM 0 HD3 LYS A 496 -10.585 12.541 -8.277 1.00 11.00 H new ATOM 0 HE2 LYS A 496 -9.011 14.827 -7.018 1.00 23.22 H new ATOM 0 HE3 LYS A 496 -10.704 14.886 -7.464 1.00 23.22 H new ATOM 0 HZ1 LYS A 496 -10.764 14.490 -5.226 1.00 41.45 H new ATOM 0 HZ2 LYS A 496 -10.930 12.918 -5.846 1.00 41.45 H new ATOM 0 HZ3 LYS A 496 -9.431 13.439 -5.243 1.00 41.45 H new ATOM 927 N SER A 497 -7.513 10.756 -4.184 1.00 71.54 N ATOM 928 CA SER A 497 -7.015 11.479 -3.089 1.00 2.11 C ATOM 929 C SER A 497 -6.431 10.525 -2.056 1.00 34.52 C ATOM 930 O SER A 497 -7.020 9.469 -1.770 1.00 3.34 O ATOM 931 CB SER A 497 -8.185 12.215 -2.490 1.00 14.45 C ATOM 932 OG SER A 497 -9.042 12.715 -3.515 1.00 44.41 O ATOM 0 H SER A 497 -8.298 10.144 -3.960 1.00 71.54 H new ATOM 0 HA SER A 497 -6.228 12.166 -3.400 1.00 2.11 H new ATOM 0 HB2 SER A 497 -8.744 11.548 -1.834 1.00 14.45 H new ATOM 0 HB3 SER A 497 -7.826 13.040 -1.874 1.00 14.45 H new ATOM 0 HG SER A 497 -9.868 12.188 -3.537 1.00 44.41 H new ATOM 938 N ALA A 498 -5.328 10.918 -1.455 1.00 61.11 N ATOM 939 CA ALA A 498 -4.659 10.097 -0.462 1.00 1.42 C ATOM 940 C ALA A 498 -5.401 10.134 0.852 1.00 44.13 C ATOM 941 O ALA A 498 -5.345 9.190 1.649 1.00 45.14 O ATOM 942 CB ALA A 498 -3.228 10.558 -0.275 1.00 74.24 C ATOM 0 H ALA A 498 -4.870 11.811 -1.638 1.00 61.11 H new ATOM 0 HA ALA A 498 -4.650 9.067 -0.819 1.00 1.42 H new ATOM 0 HB1 ALA A 498 -2.739 9.933 0.472 1.00 74.24 H new ATOM 0 HB2 ALA A 498 -2.693 10.477 -1.221 1.00 74.24 H new ATOM 0 HB3 ALA A 498 -3.221 11.596 0.059 1.00 74.24 H new ATOM 948 N ASP A 499 -6.134 11.199 1.058 1.00 74.30 N ATOM 949 CA ASP A 499 -6.860 11.383 2.291 1.00 31.33 C ATOM 950 C ASP A 499 -8.071 10.499 2.294 1.00 61.22 C ATOM 951 O ASP A 499 -8.394 9.862 3.295 1.00 4.45 O ATOM 952 CB ASP A 499 -7.227 12.854 2.529 1.00 4.12 C ATOM 953 CG ASP A 499 -8.256 13.430 1.587 1.00 5.13 C ATOM 954 OD1 ASP A 499 -8.082 13.339 0.355 1.00 61.13 O ATOM 955 OD2 ASP A 499 -9.229 14.028 2.062 1.00 44.24 O ATOM 0 H ASP A 499 -6.245 11.956 0.384 1.00 74.30 H new ATOM 0 HA ASP A 499 -6.214 11.096 3.120 1.00 31.33 H new ATOM 0 HB2 ASP A 499 -7.597 12.957 3.549 1.00 4.12 H new ATOM 0 HB3 ASP A 499 -6.319 13.453 2.457 1.00 4.12 H new ATOM 960 N ARG A 500 -8.708 10.435 1.152 1.00 64.11 N ATOM 961 CA ARG A 500 -9.837 9.527 0.945 1.00 23.40 C ATOM 962 C ARG A 500 -9.394 8.086 1.077 1.00 43.24 C ATOM 963 O ARG A 500 -10.088 7.285 1.685 1.00 21.44 O ATOM 964 CB ARG A 500 -10.542 9.725 -0.405 1.00 11.43 C ATOM 965 CG ARG A 500 -11.587 10.838 -0.468 1.00 42.41 C ATOM 966 CD ARG A 500 -11.005 12.188 -0.182 1.00 70.31 C ATOM 967 NE ARG A 500 -11.963 13.260 -0.365 1.00 11.22 N ATOM 968 CZ ARG A 500 -11.624 14.533 -0.571 1.00 34.02 C ATOM 969 NH1 ARG A 500 -10.339 14.898 -0.546 1.00 31.02 N ATOM 970 NH2 ARG A 500 -12.563 15.446 -0.760 1.00 20.33 N ATOM 0 H ARG A 500 -8.471 11.001 0.337 1.00 64.11 H new ATOM 0 HA ARG A 500 -10.561 9.770 1.723 1.00 23.40 H new ATOM 0 HB2 ARG A 500 -9.783 9.926 -1.161 1.00 11.43 H new ATOM 0 HB3 ARG A 500 -11.025 8.787 -0.679 1.00 11.43 H new ATOM 0 HG2 ARG A 500 -12.046 10.846 -1.457 1.00 42.41 H new ATOM 0 HG3 ARG A 500 -12.380 10.628 0.250 1.00 42.41 H new ATOM 0 HD2 ARG A 500 -10.633 12.209 0.842 1.00 70.31 H new ATOM 0 HD3 ARG A 500 -10.149 12.356 -0.835 1.00 70.31 H new ATOM 0 HE ARG A 500 -12.956 13.027 -0.334 1.00 11.22 H new ATOM 0 HH11 ARG A 500 -9.615 14.202 -0.369 1.00 31.02 H new ATOM 0 HH12 ARG A 500 -10.082 15.873 -0.704 1.00 31.02 H new ATOM 0 HH21 ARG A 500 -13.547 15.176 -0.748 1.00 20.33 H new ATOM 0 HH22 ARG A 500 -12.303 16.420 -0.918 1.00 20.33 H new ATOM 984 N ALA A 501 -8.229 7.773 0.521 1.00 3.03 N ATOM 985 CA ALA A 501 -7.669 6.432 0.605 1.00 33.12 C ATOM 986 C ALA A 501 -7.451 6.031 2.055 1.00 25.31 C ATOM 987 O ALA A 501 -7.793 4.921 2.459 1.00 2.02 O ATOM 988 CB ALA A 501 -6.377 6.336 -0.183 1.00 73.41 C ATOM 0 H ALA A 501 -7.652 8.436 0.004 1.00 3.03 H new ATOM 0 HA ALA A 501 -8.384 5.737 0.164 1.00 33.12 H new ATOM 0 HB1 ALA A 501 -5.978 5.325 -0.105 1.00 73.41 H new ATOM 0 HB2 ALA A 501 -6.571 6.570 -1.230 1.00 73.41 H new ATOM 0 HB3 ALA A 501 -5.652 7.044 0.219 1.00 73.41 H new ATOM 994 N PHE A 502 -6.909 6.952 2.841 1.00 52.34 N ATOM 995 CA PHE A 502 -6.704 6.718 4.262 1.00 14.33 C ATOM 996 C PHE A 502 -8.037 6.506 4.964 1.00 60.33 C ATOM 997 O PHE A 502 -8.191 5.577 5.756 1.00 2.23 O ATOM 998 CB PHE A 502 -5.936 7.884 4.914 1.00 1.23 C ATOM 999 CG PHE A 502 -5.833 7.779 6.419 1.00 64.50 C ATOM 1000 CD1 PHE A 502 -4.923 6.923 7.008 1.00 52.41 C ATOM 1001 CD2 PHE A 502 -6.661 8.535 7.239 1.00 11.11 C ATOM 1002 CE1 PHE A 502 -4.840 6.818 8.384 1.00 11.31 C ATOM 1003 CE2 PHE A 502 -6.582 8.436 8.610 1.00 75.43 C ATOM 1004 CZ PHE A 502 -5.670 7.576 9.185 1.00 74.31 C ATOM 0 H PHE A 502 -6.603 7.869 2.517 1.00 52.34 H new ATOM 0 HA PHE A 502 -6.102 5.815 4.369 1.00 14.33 H new ATOM 0 HB2 PHE A 502 -4.932 7.927 4.492 1.00 1.23 H new ATOM 0 HB3 PHE A 502 -6.430 8.821 4.657 1.00 1.23 H new ATOM 0 HD1 PHE A 502 -4.269 6.329 6.387 1.00 52.41 H new ATOM 0 HD2 PHE A 502 -7.377 9.210 6.795 1.00 11.11 H new ATOM 0 HE1 PHE A 502 -4.126 6.143 8.832 1.00 11.31 H new ATOM 0 HE2 PHE A 502 -7.233 9.031 9.234 1.00 75.43 H new ATOM 0 HZ PHE A 502 -5.605 7.496 10.260 1.00 74.31 H new ATOM 1014 N MET A 503 -9.002 7.344 4.638 1.00 31.13 N ATOM 1015 CA MET A 503 -10.322 7.273 5.242 1.00 75.52 C ATOM 1016 C MET A 503 -10.977 5.938 4.900 1.00 22.34 C ATOM 1017 O MET A 503 -11.555 5.287 5.760 1.00 2.11 O ATOM 1018 CB MET A 503 -11.184 8.452 4.768 1.00 21.11 C ATOM 1019 CG MET A 503 -12.622 8.549 5.331 1.00 72.44 C ATOM 1020 SD MET A 503 -12.754 8.995 7.095 1.00 4.10 S ATOM 1021 CE MET A 503 -12.477 7.434 7.941 1.00 62.42 C ATOM 0 H MET A 503 -8.896 8.090 3.951 1.00 31.13 H new ATOM 0 HA MET A 503 -10.228 7.340 6.326 1.00 75.52 H new ATOM 0 HB2 MET A 503 -10.661 9.375 5.018 1.00 21.11 H new ATOM 0 HB3 MET A 503 -11.249 8.407 3.681 1.00 21.11 H new ATOM 0 HG2 MET A 503 -13.172 9.287 4.747 1.00 72.44 H new ATOM 0 HG3 MET A 503 -13.117 7.590 5.180 1.00 72.44 H new ATOM 0 HE1 MET A 503 -12.809 7.517 8.976 1.00 62.42 H new ATOM 0 HE2 MET A 503 -13.039 6.645 7.442 1.00 62.42 H new ATOM 0 HE3 MET A 503 -11.414 7.192 7.919 1.00 62.42 H new ATOM 1031 N ALA A 504 -10.824 5.512 3.660 1.00 2.40 N ATOM 1032 CA ALA A 504 -11.376 4.254 3.197 1.00 21.45 C ATOM 1033 C ALA A 504 -10.702 3.080 3.885 1.00 72.22 C ATOM 1034 O ALA A 504 -11.358 2.128 4.278 1.00 21.50 O ATOM 1035 CB ALA A 504 -11.241 4.131 1.689 1.00 64.13 C ATOM 0 H ALA A 504 -10.313 6.030 2.945 1.00 2.40 H new ATOM 0 HA ALA A 504 -12.436 4.238 3.453 1.00 21.45 H new ATOM 0 HB1 ALA A 504 -11.661 3.180 1.362 1.00 64.13 H new ATOM 0 HB2 ALA A 504 -11.777 4.949 1.208 1.00 64.13 H new ATOM 0 HB3 ALA A 504 -10.187 4.176 1.413 1.00 64.13 H new ATOM 1041 N ALA A 505 -9.397 3.177 4.066 1.00 62.31 N ATOM 1042 CA ALA A 505 -8.618 2.124 4.697 1.00 23.23 C ATOM 1043 C ALA A 505 -8.872 2.049 6.185 1.00 22.40 C ATOM 1044 O ALA A 505 -8.613 1.038 6.811 1.00 12.14 O ATOM 1045 CB ALA A 505 -7.147 2.299 4.415 1.00 64.50 C ATOM 0 H ALA A 505 -8.847 3.987 3.780 1.00 62.31 H new ATOM 0 HA ALA A 505 -8.943 1.179 4.262 1.00 23.23 H new ATOM 0 HB1 ALA A 505 -6.586 1.499 4.898 1.00 64.50 H new ATOM 0 HB2 ALA A 505 -6.976 2.264 3.339 1.00 64.50 H new ATOM 0 HB3 ALA A 505 -6.814 3.261 4.804 1.00 64.50 H new ATOM 1051 N GLN A 506 -9.323 3.128 6.747 1.00 45.45 N ATOM 1052 CA GLN A 506 -9.678 3.161 8.135 1.00 71.32 C ATOM 1053 C GLN A 506 -11.086 2.609 8.300 1.00 63.23 C ATOM 1054 O GLN A 506 -11.347 1.753 9.158 1.00 23.33 O ATOM 1055 CB GLN A 506 -9.569 4.596 8.660 1.00 34.05 C ATOM 1056 CG GLN A 506 -9.936 4.777 10.122 1.00 11.53 C ATOM 1057 CD GLN A 506 -9.727 6.204 10.593 1.00 31.12 C ATOM 1058 OE1 GLN A 506 -9.829 7.160 9.814 1.00 61.34 O ATOM 1059 NE2 GLN A 506 -9.452 6.366 11.853 1.00 42.13 N ATOM 0 H GLN A 506 -9.456 4.013 6.257 1.00 45.45 H new ATOM 0 HA GLN A 506 -8.996 2.541 8.717 1.00 71.32 H new ATOM 0 HB2 GLN A 506 -8.546 4.944 8.513 1.00 34.05 H new ATOM 0 HB3 GLN A 506 -10.213 5.237 8.058 1.00 34.05 H new ATOM 0 HG2 GLN A 506 -10.979 4.496 10.271 1.00 11.53 H new ATOM 0 HG3 GLN A 506 -9.334 4.103 10.732 1.00 11.53 H new ATOM 0 HE21 GLN A 506 -9.375 5.555 12.467 1.00 42.13 H new ATOM 0 HE22 GLN A 506 -9.313 7.304 12.228 1.00 42.13 H new ATOM 1068 N LYS A 507 -11.958 3.054 7.421 1.00 30.00 N ATOM 1069 CA LYS A 507 -13.360 2.682 7.414 1.00 51.04 C ATOM 1070 C LYS A 507 -13.503 1.186 7.147 1.00 21.11 C ATOM 1071 O LYS A 507 -14.274 0.485 7.803 1.00 4.34 O ATOM 1072 CB LYS A 507 -14.072 3.459 6.293 1.00 23.12 C ATOM 1073 CG LYS A 507 -15.586 3.343 6.273 1.00 0.51 C ATOM 1074 CD LYS A 507 -16.206 4.089 7.433 1.00 71.44 C ATOM 1075 CE LYS A 507 -17.715 4.015 7.393 1.00 43.20 C ATOM 1076 NZ LYS A 507 -18.320 4.860 8.432 1.00 42.21 N ATOM 0 H LYS A 507 -11.707 3.700 6.673 1.00 30.00 H new ATOM 0 HA LYS A 507 -13.802 2.918 8.382 1.00 51.04 H new ATOM 0 HB2 LYS A 507 -13.807 4.513 6.381 1.00 23.12 H new ATOM 0 HB3 LYS A 507 -13.686 3.113 5.334 1.00 23.12 H new ATOM 0 HG2 LYS A 507 -15.972 3.740 5.334 1.00 0.51 H new ATOM 0 HG3 LYS A 507 -15.874 2.293 6.317 1.00 0.51 H new ATOM 0 HD2 LYS A 507 -15.844 3.670 8.372 1.00 71.44 H new ATOM 0 HD3 LYS A 507 -15.891 5.132 7.407 1.00 71.44 H new ATOM 0 HE2 LYS A 507 -18.071 4.331 6.412 1.00 43.20 H new ATOM 0 HE3 LYS A 507 -18.034 2.982 7.530 1.00 43.20 H new ATOM 0 HZ1 LYS A 507 -19.356 4.788 8.379 1.00 42.21 H new ATOM 0 HZ2 LYS A 507 -17.999 4.542 9.369 1.00 42.21 H new ATOM 0 HZ3 LYS A 507 -18.034 5.849 8.285 1.00 42.21 H new ATOM 1090 N CYS A 508 -12.733 0.713 6.203 1.00 44.44 N ATOM 1091 CA CYS A 508 -12.814 -0.639 5.766 1.00 43.23 C ATOM 1092 C CYS A 508 -11.704 -1.520 6.341 1.00 22.12 C ATOM 1093 O CYS A 508 -11.488 -2.633 5.854 1.00 54.12 O ATOM 1094 CB CYS A 508 -12.820 -0.694 4.238 1.00 52.22 C ATOM 1095 SG CYS A 508 -14.148 0.260 3.463 1.00 22.35 S ATOM 0 H CYS A 508 -12.028 1.267 5.717 1.00 44.44 H new ATOM 0 HA CYS A 508 -13.751 -1.046 6.147 1.00 43.23 H new ATOM 0 HB2 CYS A 508 -11.862 -0.327 3.869 1.00 52.22 H new ATOM 0 HB3 CYS A 508 -12.905 -1.734 3.924 1.00 52.22 H new ATOM 0 HG CYS A 508 -14.064 0.150 2.170 1.00 22.35 H new ATOM 1101 N HIS A 509 -10.986 -1.044 7.359 1.00 12.21 N ATOM 1102 CA HIS A 509 -9.987 -1.889 8.004 1.00 34.35 C ATOM 1103 C HIS A 509 -10.701 -3.016 8.756 1.00 54.42 C ATOM 1104 O HIS A 509 -11.171 -2.838 9.884 1.00 43.51 O ATOM 1105 CB HIS A 509 -9.060 -1.092 8.939 1.00 21.20 C ATOM 1106 CG HIS A 509 -7.871 -1.873 9.429 1.00 43.42 C ATOM 1107 ND1 HIS A 509 -7.645 -2.191 10.747 1.00 51.04 N ATOM 1108 CD2 HIS A 509 -6.815 -2.372 8.741 1.00 2.21 C ATOM 1109 CE1 HIS A 509 -6.494 -2.852 10.826 1.00 22.35 C ATOM 1110 NE2 HIS A 509 -5.942 -2.992 9.629 1.00 52.15 N ATOM 0 H HIS A 509 -11.074 -0.104 7.745 1.00 12.21 H new ATOM 0 HA HIS A 509 -9.343 -2.313 7.234 1.00 34.35 H new ATOM 0 HB2 HIS A 509 -8.708 -0.204 8.415 1.00 21.20 H new ATOM 0 HB3 HIS A 509 -9.636 -0.748 9.798 1.00 21.20 H new ATOM 0 HD2 HIS A 509 -6.674 -2.300 7.673 1.00 2.21 H new ATOM 0 HE1 HIS A 509 -6.065 -3.226 11.744 1.00 22.35 H new ATOM 0 HE2 HIS A 509 -5.062 -3.457 9.406 1.00 52.15 H new ATOM 1118 N LYS A 510 -10.860 -4.120 8.050 1.00 35.24 N ATOM 1119 CA LYS A 510 -11.536 -5.315 8.491 1.00 3.24 C ATOM 1120 C LYS A 510 -13.013 -5.033 8.653 1.00 10.11 C ATOM 1121 O LYS A 510 -13.544 -4.893 9.760 1.00 4.21 O ATOM 1122 CB LYS A 510 -10.893 -5.957 9.716 1.00 42.32 C ATOM 1123 CG LYS A 510 -11.420 -7.344 10.043 1.00 51.31 C ATOM 1124 CD LYS A 510 -10.594 -7.985 11.134 1.00 75.11 C ATOM 1125 CE LYS A 510 -10.988 -9.430 11.352 1.00 3.32 C ATOM 1126 NZ LYS A 510 -10.090 -10.108 12.308 1.00 14.22 N ATOM 0 H LYS A 510 -10.498 -4.206 7.100 1.00 35.24 H new ATOM 0 HA LYS A 510 -11.426 -6.075 7.718 1.00 3.24 H new ATOM 0 HB2 LYS A 510 -9.816 -6.018 9.557 1.00 42.32 H new ATOM 0 HB3 LYS A 510 -11.052 -5.308 10.577 1.00 42.32 H new ATOM 0 HG2 LYS A 510 -12.461 -7.278 10.359 1.00 51.31 H new ATOM 0 HG3 LYS A 510 -11.398 -7.967 9.149 1.00 51.31 H new ATOM 0 HD2 LYS A 510 -9.538 -7.931 10.871 1.00 75.11 H new ATOM 0 HD3 LYS A 510 -10.721 -7.428 12.062 1.00 75.11 H new ATOM 0 HE2 LYS A 510 -12.012 -9.475 11.722 1.00 3.32 H new ATOM 0 HE3 LYS A 510 -10.970 -9.959 10.399 1.00 3.32 H new ATOM 0 HZ1 LYS A 510 -10.394 -11.095 12.430 1.00 14.22 H new ATOM 0 HZ2 LYS A 510 -9.116 -10.088 11.944 1.00 14.22 H new ATOM 0 HZ3 LYS A 510 -10.127 -9.619 13.225 1.00 14.22 H new ATOM 1140 N LYS A 511 -13.626 -4.857 7.528 1.00 33.55 N ATOM 1141 CA LYS A 511 -15.011 -4.548 7.408 1.00 10.21 C ATOM 1142 C LYS A 511 -15.740 -5.794 6.942 1.00 1.21 C ATOM 1143 O LYS A 511 -15.159 -6.626 6.225 1.00 11.21 O ATOM 1144 CB LYS A 511 -15.157 -3.403 6.397 1.00 51.20 C ATOM 1145 CG LYS A 511 -16.567 -2.892 6.114 1.00 0.20 C ATOM 1146 CD LYS A 511 -16.514 -1.777 5.071 1.00 33.54 C ATOM 1147 CE LYS A 511 -17.880 -1.203 4.753 1.00 14.30 C ATOM 1148 NZ LYS A 511 -17.806 -0.147 3.713 1.00 45.41 N ATOM 0 H LYS A 511 -13.152 -4.928 6.628 1.00 33.55 H new ATOM 0 HA LYS A 511 -15.439 -4.233 8.360 1.00 10.21 H new ATOM 0 HB2 LYS A 511 -14.559 -2.563 6.751 1.00 51.20 H new ATOM 0 HB3 LYS A 511 -14.721 -3.730 5.453 1.00 51.20 H new ATOM 0 HG2 LYS A 511 -17.194 -3.708 5.756 1.00 0.20 H new ATOM 0 HG3 LYS A 511 -17.021 -2.521 7.033 1.00 0.20 H new ATOM 0 HD2 LYS A 511 -15.865 -0.979 5.432 1.00 33.54 H new ATOM 0 HD3 LYS A 511 -16.065 -2.163 4.156 1.00 33.54 H new ATOM 0 HE2 LYS A 511 -18.540 -2.002 4.414 1.00 14.30 H new ATOM 0 HE3 LYS A 511 -18.321 -0.789 5.660 1.00 14.30 H new ATOM 0 HZ1 LYS A 511 -18.626 0.486 3.802 1.00 45.41 H new ATOM 0 HZ2 LYS A 511 -16.931 0.401 3.836 1.00 45.41 H new ATOM 0 HZ3 LYS A 511 -17.809 -0.587 2.771 1.00 45.41 H new ATOM 1162 N ASN A 512 -16.970 -5.957 7.357 1.00 20.33 N ATOM 1163 CA ASN A 512 -17.720 -7.114 6.940 1.00 0.14 C ATOM 1164 C ASN A 512 -18.349 -6.852 5.589 1.00 34.41 C ATOM 1165 O ASN A 512 -19.135 -5.916 5.411 1.00 12.02 O ATOM 1166 CB ASN A 512 -18.759 -7.613 7.999 1.00 44.14 C ATOM 1167 CG ASN A 512 -19.977 -6.717 8.228 1.00 73.44 C ATOM 1168 OD1 ASN A 512 -21.021 -6.885 7.583 1.00 63.54 O ATOM 1169 ND2 ASN A 512 -19.886 -5.814 9.165 1.00 3.31 N ATOM 0 H ASN A 512 -17.468 -5.315 7.974 1.00 20.33 H new ATOM 0 HA ASN A 512 -17.017 -7.942 6.848 1.00 0.14 H new ATOM 0 HB2 ASN A 512 -19.112 -8.598 7.694 1.00 44.14 H new ATOM 0 HB3 ASN A 512 -18.243 -7.739 8.951 1.00 44.14 H new ATOM 0 HD21 ASN A 512 -20.688 -5.223 9.383 1.00 3.31 H new ATOM 0 HD22 ASN A 512 -19.013 -5.699 9.679 1.00 3.31 H new ATOM 1176 N MET A 513 -17.948 -7.635 4.643 1.00 2.44 N ATOM 1177 CA MET A 513 -18.393 -7.539 3.295 1.00 62.12 C ATOM 1178 C MET A 513 -19.282 -8.709 3.047 1.00 62.24 C ATOM 1179 O MET A 513 -18.789 -9.826 2.809 1.00 4.04 O ATOM 1180 CB MET A 513 -17.191 -7.581 2.346 1.00 34.11 C ATOM 1181 CG MET A 513 -17.523 -7.456 0.863 1.00 21.05 C ATOM 1182 SD MET A 513 -16.035 -7.540 -0.162 1.00 41.44 S ATOM 1183 CE MET A 513 -16.699 -7.275 -1.799 1.00 63.52 C ATOM 0 H MET A 513 -17.276 -8.387 4.795 1.00 2.44 H new ATOM 0 HA MET A 513 -18.925 -6.603 3.123 1.00 62.12 H new ATOM 0 HB2 MET A 513 -16.508 -6.776 2.617 1.00 34.11 H new ATOM 0 HB3 MET A 513 -16.658 -8.519 2.504 1.00 34.11 H new ATOM 0 HG2 MET A 513 -18.209 -8.252 0.575 1.00 21.05 H new ATOM 0 HG3 MET A 513 -18.037 -6.512 0.683 1.00 21.05 H new ATOM 0 HE1 MET A 513 -15.938 -6.817 -2.431 1.00 63.52 H new ATOM 0 HE2 MET A 513 -17.000 -8.230 -2.229 1.00 63.52 H new ATOM 0 HE3 MET A 513 -17.565 -6.616 -1.738 1.00 63.52 H new ATOM 1193 N LYS A 514 -20.578 -8.482 3.203 1.00 63.25 N ATOM 1194 CA LYS A 514 -21.610 -9.500 3.013 1.00 10.31 C ATOM 1195 C LYS A 514 -21.552 -10.557 4.118 1.00 31.42 C ATOM 1196 O LYS A 514 -22.308 -10.493 5.084 1.00 11.33 O ATOM 1197 CB LYS A 514 -21.525 -10.109 1.599 1.00 44.31 C ATOM 1198 CG LYS A 514 -21.678 -9.054 0.507 1.00 11.45 C ATOM 1199 CD LYS A 514 -21.361 -9.574 -0.881 1.00 12.15 C ATOM 1200 CE LYS A 514 -22.373 -10.577 -1.395 1.00 64.24 C ATOM 1201 NZ LYS A 514 -22.054 -10.991 -2.781 1.00 73.52 N ATOM 0 H LYS A 514 -20.952 -7.571 3.470 1.00 63.25 H new ATOM 0 HA LYS A 514 -22.587 -9.024 3.092 1.00 10.31 H new ATOM 0 HB2 LYS A 514 -20.567 -10.616 1.481 1.00 44.31 H new ATOM 0 HB3 LYS A 514 -22.302 -10.865 1.483 1.00 44.31 H new ATOM 0 HG2 LYS A 514 -22.699 -8.674 0.520 1.00 11.45 H new ATOM 0 HG3 LYS A 514 -21.022 -8.213 0.730 1.00 11.45 H new ATOM 0 HD2 LYS A 514 -21.311 -8.733 -1.573 1.00 12.15 H new ATOM 0 HD3 LYS A 514 -20.375 -10.038 -0.870 1.00 12.15 H new ATOM 0 HE2 LYS A 514 -22.386 -11.451 -0.744 1.00 64.24 H new ATOM 0 HE3 LYS A 514 -23.371 -10.141 -1.363 1.00 64.24 H new ATOM 0 HZ1 LYS A 514 -22.846 -11.542 -3.170 1.00 73.52 H new ATOM 0 HZ2 LYS A 514 -21.898 -10.147 -3.368 1.00 73.52 H new ATOM 0 HZ3 LYS A 514 -21.194 -11.575 -2.779 1.00 73.52 H new ATOM 1215 N ASP A 515 -20.635 -11.477 3.996 1.00 1.13 N ATOM 1216 CA ASP A 515 -20.450 -12.530 4.986 1.00 50.25 C ATOM 1217 C ASP A 515 -18.955 -12.720 5.304 1.00 73.02 C ATOM 1218 O ASP A 515 -18.569 -13.479 6.196 1.00 55.41 O ATOM 1219 CB ASP A 515 -21.082 -13.841 4.483 1.00 63.52 C ATOM 1220 CG ASP A 515 -21.123 -14.957 5.511 1.00 51.54 C ATOM 1221 OD1 ASP A 515 -22.031 -14.938 6.379 1.00 35.44 O ATOM 1222 OD2 ASP A 515 -20.294 -15.903 5.431 1.00 72.22 O ATOM 0 H ASP A 515 -19.988 -11.527 3.209 1.00 1.13 H new ATOM 0 HA ASP A 515 -20.950 -12.239 5.910 1.00 50.25 H new ATOM 0 HB2 ASP A 515 -22.099 -13.634 4.149 1.00 63.52 H new ATOM 0 HB3 ASP A 515 -20.525 -14.187 3.612 1.00 63.52 H new ATOM 1227 N ARG A 516 -18.125 -11.992 4.609 1.00 60.21 N ATOM 1228 CA ARG A 516 -16.684 -12.135 4.727 1.00 75.14 C ATOM 1229 C ARG A 516 -16.129 -10.906 5.418 1.00 70.51 C ATOM 1230 O ARG A 516 -16.801 -9.902 5.503 1.00 31.01 O ATOM 1231 CB ARG A 516 -16.091 -12.250 3.312 1.00 2.31 C ATOM 1232 CG ARG A 516 -14.599 -12.551 3.232 1.00 72.22 C ATOM 1233 CD ARG A 516 -14.248 -13.918 3.792 1.00 22.23 C ATOM 1234 NE ARG A 516 -12.799 -14.147 3.773 1.00 3.35 N ATOM 1235 CZ ARG A 516 -12.182 -15.307 4.086 1.00 1.13 C ATOM 1236 NH1 ARG A 516 -12.892 -16.421 4.319 1.00 11.44 N ATOM 1237 NH2 ARG A 516 -10.853 -15.352 4.146 1.00 2.44 N ATOM 0 H ARG A 516 -18.420 -11.279 3.942 1.00 60.21 H new ATOM 0 HA ARG A 516 -16.429 -13.022 5.306 1.00 75.14 H new ATOM 0 HB2 ARG A 516 -16.628 -13.034 2.778 1.00 2.31 H new ATOM 0 HB3 ARG A 516 -16.281 -11.316 2.783 1.00 2.31 H new ATOM 0 HG2 ARG A 516 -14.276 -12.495 2.192 1.00 72.22 H new ATOM 0 HG3 ARG A 516 -14.048 -11.786 3.779 1.00 72.22 H new ATOM 0 HD2 ARG A 516 -14.618 -14.000 4.814 1.00 22.23 H new ATOM 0 HD3 ARG A 516 -14.748 -14.691 3.209 1.00 22.23 H new ATOM 0 HE ARG A 516 -12.207 -13.363 3.500 1.00 3.35 H new ATOM 0 HH11 ARG A 516 -13.910 -16.398 4.261 1.00 11.44 H new ATOM 0 HH12 ARG A 516 -12.414 -17.291 4.554 1.00 11.44 H new ATOM 0 HH21 ARG A 516 -10.305 -14.513 3.956 1.00 2.44 H new ATOM 0 HH22 ARG A 516 -10.382 -16.226 4.382 1.00 2.44 H new ATOM 1251 N TYR A 517 -14.938 -10.992 5.931 1.00 65.42 N ATOM 1252 CA TYR A 517 -14.296 -9.850 6.494 1.00 5.03 C ATOM 1253 C TYR A 517 -13.128 -9.499 5.635 1.00 50.11 C ATOM 1254 O TYR A 517 -12.198 -10.294 5.455 1.00 34.24 O ATOM 1255 CB TYR A 517 -13.844 -10.090 7.910 1.00 13.54 C ATOM 1256 CG TYR A 517 -14.971 -10.388 8.869 1.00 2.21 C ATOM 1257 CD1 TYR A 517 -15.327 -11.694 9.181 1.00 10.01 C ATOM 1258 CD2 TYR A 517 -15.697 -9.355 9.445 1.00 3.11 C ATOM 1259 CE1 TYR A 517 -16.374 -11.959 10.036 1.00 53.13 C ATOM 1260 CE2 TYR A 517 -16.741 -9.613 10.305 1.00 22.42 C ATOM 1261 CZ TYR A 517 -17.076 -10.913 10.595 1.00 51.42 C ATOM 1262 OH TYR A 517 -18.132 -11.169 11.437 1.00 12.22 O ATOM 0 H TYR A 517 -14.390 -11.851 5.969 1.00 65.42 H new ATOM 0 HA TYR A 517 -15.013 -9.029 6.528 1.00 5.03 H new ATOM 0 HB2 TYR A 517 -13.141 -10.923 7.920 1.00 13.54 H new ATOM 0 HB3 TYR A 517 -13.303 -9.212 8.262 1.00 13.54 H new ATOM 0 HD1 TYR A 517 -14.775 -12.514 8.747 1.00 10.01 H new ATOM 0 HD2 TYR A 517 -15.439 -8.332 9.215 1.00 3.11 H new ATOM 0 HE1 TYR A 517 -16.643 -12.979 10.267 1.00 53.13 H new ATOM 0 HE2 TYR A 517 -17.293 -8.798 10.749 1.00 22.42 H new ATOM 0 HH TYR A 517 -18.517 -10.322 11.745 1.00 12.22 H new ATOM 1272 N VAL A 518 -13.189 -8.353 5.092 1.00 44.23 N ATOM 1273 CA VAL A 518 -12.184 -7.870 4.212 1.00 15.34 C ATOM 1274 C VAL A 518 -11.380 -6.824 4.932 1.00 73.23 C ATOM 1275 O VAL A 518 -11.924 -5.830 5.431 1.00 65.15 O ATOM 1276 CB VAL A 518 -12.808 -7.287 2.929 1.00 12.20 C ATOM 1277 CG1 VAL A 518 -11.744 -6.693 2.010 1.00 11.41 C ATOM 1278 CG2 VAL A 518 -13.584 -8.367 2.197 1.00 12.53 C ATOM 0 H VAL A 518 -13.956 -7.698 5.244 1.00 44.23 H new ATOM 0 HA VAL A 518 -11.536 -8.694 3.913 1.00 15.34 H new ATOM 0 HB VAL A 518 -13.486 -6.484 3.218 1.00 12.20 H new ATOM 0 HG11 VAL A 518 -12.219 -6.291 1.115 1.00 11.41 H new ATOM 0 HG12 VAL A 518 -11.218 -5.894 2.532 1.00 11.41 H new ATOM 0 HG13 VAL A 518 -11.034 -7.470 1.726 1.00 11.41 H new ATOM 0 HG21 VAL A 518 -14.023 -7.949 1.291 1.00 12.53 H new ATOM 0 HG22 VAL A 518 -12.911 -9.182 1.931 1.00 12.53 H new ATOM 0 HG23 VAL A 518 -14.376 -8.746 2.842 1.00 12.53 H new ATOM 1288 N GLU A 519 -10.115 -7.057 5.017 1.00 23.33 N ATOM 1289 CA GLU A 519 -9.240 -6.180 5.700 1.00 45.12 C ATOM 1290 C GLU A 519 -8.553 -5.298 4.679 1.00 45.41 C ATOM 1291 O GLU A 519 -7.799 -5.774 3.821 1.00 60.12 O ATOM 1292 CB GLU A 519 -8.244 -6.973 6.521 1.00 44.52 C ATOM 1293 CG GLU A 519 -7.380 -6.134 7.433 1.00 62.14 C ATOM 1294 CD GLU A 519 -6.356 -6.970 8.119 1.00 21.24 C ATOM 1295 OE1 GLU A 519 -6.478 -7.217 9.345 1.00 71.21 O ATOM 1296 OE2 GLU A 519 -5.418 -7.430 7.434 1.00 40.31 O ATOM 0 H GLU A 519 -9.658 -7.872 4.608 1.00 23.33 H new ATOM 0 HA GLU A 519 -9.795 -5.548 6.393 1.00 45.12 H new ATOM 0 HB2 GLU A 519 -8.786 -7.702 7.123 1.00 44.52 H new ATOM 0 HB3 GLU A 519 -7.599 -7.535 5.845 1.00 44.52 H new ATOM 0 HG2 GLU A 519 -6.888 -5.352 6.855 1.00 62.14 H new ATOM 0 HG3 GLU A 519 -8.005 -5.637 8.175 1.00 62.14 H new ATOM 1303 N VAL A 520 -8.850 -4.042 4.754 1.00 4.42 N ATOM 1304 CA VAL A 520 -8.365 -3.056 3.831 1.00 61.14 C ATOM 1305 C VAL A 520 -7.265 -2.224 4.493 1.00 41.35 C ATOM 1306 O VAL A 520 -7.394 -1.838 5.648 1.00 23.31 O ATOM 1307 CB VAL A 520 -9.553 -2.167 3.401 1.00 62.01 C ATOM 1308 CG1 VAL A 520 -9.128 -1.038 2.517 1.00 53.40 C ATOM 1309 CG2 VAL A 520 -10.608 -3.011 2.704 1.00 4.00 C ATOM 0 H VAL A 520 -9.455 -3.657 5.480 1.00 4.42 H new ATOM 0 HA VAL A 520 -7.936 -3.534 2.950 1.00 61.14 H new ATOM 0 HB VAL A 520 -9.974 -1.727 4.305 1.00 62.01 H new ATOM 0 HG11 VAL A 520 -9.999 -0.443 2.242 1.00 53.40 H new ATOM 0 HG12 VAL A 520 -8.412 -0.410 3.048 1.00 53.40 H new ATOM 0 HG13 VAL A 520 -8.662 -1.437 1.616 1.00 53.40 H new ATOM 0 HG21 VAL A 520 -11.442 -2.376 2.404 1.00 4.00 H new ATOM 0 HG22 VAL A 520 -10.174 -3.480 1.821 1.00 4.00 H new ATOM 0 HG23 VAL A 520 -10.966 -3.782 3.386 1.00 4.00 H new ATOM 1319 N PHE A 521 -6.192 -1.979 3.762 1.00 33.31 N ATOM 1320 CA PHE A 521 -5.036 -1.271 4.281 1.00 43.32 C ATOM 1321 C PHE A 521 -4.592 -0.252 3.249 1.00 15.20 C ATOM 1322 O PHE A 521 -4.642 -0.532 2.062 1.00 24.11 O ATOM 1323 CB PHE A 521 -3.920 -2.290 4.497 1.00 72.01 C ATOM 1324 CG PHE A 521 -2.748 -1.815 5.323 1.00 71.25 C ATOM 1325 CD1 PHE A 521 -2.872 -1.641 6.691 1.00 54.33 C ATOM 1326 CD2 PHE A 521 -1.520 -1.575 4.732 1.00 62.00 C ATOM 1327 CE1 PHE A 521 -1.792 -1.230 7.450 1.00 43.12 C ATOM 1328 CE2 PHE A 521 -0.438 -1.163 5.483 1.00 63.03 C ATOM 1329 CZ PHE A 521 -0.576 -0.989 6.846 1.00 34.42 C ATOM 0 H PHE A 521 -6.098 -2.267 2.788 1.00 33.31 H new ATOM 0 HA PHE A 521 -5.273 -0.766 5.217 1.00 43.32 H new ATOM 0 HB2 PHE A 521 -4.346 -3.171 4.977 1.00 72.01 H new ATOM 0 HB3 PHE A 521 -3.549 -2.607 3.522 1.00 72.01 H new ATOM 0 HD1 PHE A 521 -3.822 -1.828 7.170 1.00 54.33 H new ATOM 0 HD2 PHE A 521 -1.407 -1.712 3.667 1.00 62.00 H new ATOM 0 HE1 PHE A 521 -1.901 -1.098 8.516 1.00 43.12 H new ATOM 0 HE2 PHE A 521 0.513 -0.977 5.007 1.00 63.03 H new ATOM 0 HZ PHE A 521 0.267 -0.665 7.438 1.00 34.42 H new ATOM 1339 N GLN A 522 -4.169 0.910 3.684 1.00 23.45 N ATOM 1340 CA GLN A 522 -3.713 1.944 2.766 1.00 54.41 C ATOM 1341 C GLN A 522 -2.309 1.599 2.267 1.00 72.33 C ATOM 1342 O GLN A 522 -1.555 0.904 2.951 1.00 13.34 O ATOM 1343 CB GLN A 522 -3.713 3.303 3.461 1.00 3.33 C ATOM 1344 CG GLN A 522 -3.261 4.445 2.583 1.00 2.44 C ATOM 1345 CD GLN A 522 -3.088 5.710 3.345 1.00 42.00 C ATOM 1346 OE1 GLN A 522 -2.775 5.698 4.532 1.00 1.10 O ATOM 1347 NE2 GLN A 522 -3.234 6.795 2.683 1.00 24.03 N ATOM 0 H GLN A 522 -4.128 1.171 4.669 1.00 23.45 H new ATOM 0 HA GLN A 522 -4.391 1.995 1.914 1.00 54.41 H new ATOM 0 HB2 GLN A 522 -4.719 3.514 3.823 1.00 3.33 H new ATOM 0 HB3 GLN A 522 -3.064 3.252 4.335 1.00 3.33 H new ATOM 0 HG2 GLN A 522 -2.318 4.181 2.104 1.00 2.44 H new ATOM 0 HG3 GLN A 522 -3.990 4.600 1.788 1.00 2.44 H new ATOM 0 HE21 GLN A 522 -3.495 6.760 1.698 1.00 24.03 H new ATOM 0 HE22 GLN A 522 -3.089 7.695 3.141 1.00 24.03 H new ATOM 1356 N CYS A 523 -1.955 2.085 1.120 1.00 12.11 N ATOM 1357 CA CYS A 523 -0.688 1.780 0.511 1.00 33.14 C ATOM 1358 C CYS A 523 -0.271 2.918 -0.379 1.00 74.44 C ATOM 1359 O CYS A 523 -1.057 3.846 -0.655 1.00 4.11 O ATOM 1360 CB CYS A 523 -0.764 0.481 -0.321 1.00 75.14 C ATOM 1361 SG CYS A 523 -1.186 -1.004 0.626 1.00 75.32 S ATOM 0 H CYS A 523 -2.540 2.713 0.569 1.00 12.11 H new ATOM 0 HA CYS A 523 0.045 1.637 1.305 1.00 33.14 H new ATOM 0 HB2 CYS A 523 -1.504 0.614 -1.110 1.00 75.14 H new ATOM 0 HB3 CYS A 523 0.197 0.322 -0.810 1.00 75.14 H new ATOM 0 HG CYS A 523 -1.398 -0.681 1.867 1.00 75.32 H new ATOM 1367 N SER A 524 0.935 2.865 -0.811 1.00 64.35 N ATOM 1368 CA SER A 524 1.447 3.827 -1.712 1.00 3.32 C ATOM 1369 C SER A 524 1.513 3.202 -3.078 1.00 60.25 C ATOM 1370 O SER A 524 1.387 1.966 -3.208 1.00 72.14 O ATOM 1371 CB SER A 524 2.832 4.269 -1.249 1.00 64.34 C ATOM 1372 OG SER A 524 3.721 3.161 -1.164 1.00 54.40 O ATOM 0 H SER A 524 1.603 2.142 -0.544 1.00 64.35 H new ATOM 0 HA SER A 524 0.804 4.706 -1.747 1.00 3.32 H new ATOM 0 HB2 SER A 524 3.232 5.008 -1.943 1.00 64.34 H new ATOM 0 HB3 SER A 524 2.756 4.754 -0.276 1.00 64.34 H new ATOM 0 HG SER A 524 4.602 3.471 -0.867 1.00 54.40 H new ATOM 1378 N ALA A 525 1.670 4.025 -4.081 1.00 32.15 N ATOM 1379 CA ALA A 525 1.854 3.553 -5.453 1.00 73.44 C ATOM 1380 C ALA A 525 3.036 2.568 -5.527 1.00 33.34 C ATOM 1381 O ALA A 525 2.968 1.540 -6.215 1.00 72.32 O ATOM 1382 CB ALA A 525 2.076 4.728 -6.394 1.00 21.43 C ATOM 0 H ALA A 525 1.676 5.040 -3.984 1.00 32.15 H new ATOM 0 HA ALA A 525 0.950 3.030 -5.765 1.00 73.44 H new ATOM 0 HB1 ALA A 525 2.211 4.359 -7.411 1.00 21.43 H new ATOM 0 HB2 ALA A 525 1.211 5.390 -6.360 1.00 21.43 H new ATOM 0 HB3 ALA A 525 2.965 5.278 -6.086 1.00 21.43 H new ATOM 1388 N GLU A 526 4.096 2.870 -4.774 1.00 44.13 N ATOM 1389 CA GLU A 526 5.269 2.014 -4.699 1.00 62.41 C ATOM 1390 C GLU A 526 4.905 0.657 -4.105 1.00 22.32 C ATOM 1391 O GLU A 526 5.266 -0.379 -4.656 1.00 71.12 O ATOM 1392 CB GLU A 526 6.378 2.674 -3.873 1.00 43.14 C ATOM 1393 CG GLU A 526 7.614 1.806 -3.696 1.00 43.42 C ATOM 1394 CD GLU A 526 8.668 2.455 -2.847 1.00 3.11 C ATOM 1395 OE1 GLU A 526 9.680 2.925 -3.392 1.00 63.21 O ATOM 1396 OE2 GLU A 526 8.502 2.511 -1.618 1.00 70.32 O ATOM 0 H GLU A 526 4.160 3.713 -4.203 1.00 44.13 H new ATOM 0 HA GLU A 526 5.641 1.864 -5.713 1.00 62.41 H new ATOM 0 HB2 GLU A 526 6.668 3.609 -4.353 1.00 43.14 H new ATOM 0 HB3 GLU A 526 5.982 2.930 -2.890 1.00 43.14 H new ATOM 0 HG2 GLU A 526 7.324 0.858 -3.244 1.00 43.42 H new ATOM 0 HG3 GLU A 526 8.034 1.577 -4.675 1.00 43.42 H new ATOM 1403 N GLU A 527 4.167 0.675 -3.003 1.00 44.25 N ATOM 1404 CA GLU A 527 3.743 -0.548 -2.322 1.00 73.34 C ATOM 1405 C GLU A 527 2.838 -1.387 -3.202 1.00 33.54 C ATOM 1406 O GLU A 527 2.929 -2.611 -3.210 1.00 11.41 O ATOM 1407 CB GLU A 527 3.077 -0.227 -0.984 1.00 24.12 C ATOM 1408 CG GLU A 527 4.054 0.249 0.076 1.00 12.04 C ATOM 1409 CD GLU A 527 3.390 0.845 1.300 1.00 65.54 C ATOM 1410 OE1 GLU A 527 4.025 1.685 1.971 1.00 2.31 O ATOM 1411 OE2 GLU A 527 2.218 0.536 1.589 1.00 64.53 O ATOM 0 H GLU A 527 3.845 1.533 -2.555 1.00 44.25 H new ATOM 0 HA GLU A 527 4.635 -1.140 -2.117 1.00 73.34 H new ATOM 0 HB2 GLU A 527 2.318 0.540 -1.139 1.00 24.12 H new ATOM 0 HB3 GLU A 527 2.562 -1.116 -0.620 1.00 24.12 H new ATOM 0 HG2 GLU A 527 4.677 -0.590 0.385 1.00 12.04 H new ATOM 0 HG3 GLU A 527 4.718 0.993 -0.364 1.00 12.04 H new ATOM 1418 N MET A 528 1.997 -0.721 -3.962 1.00 44.42 N ATOM 1419 CA MET A 528 1.115 -1.390 -4.893 1.00 22.52 C ATOM 1420 C MET A 528 1.921 -2.120 -5.950 1.00 43.23 C ATOM 1421 O MET A 528 1.711 -3.313 -6.181 1.00 3.43 O ATOM 1422 CB MET A 528 0.139 -0.392 -5.539 1.00 42.22 C ATOM 1423 CG MET A 528 -0.778 -1.003 -6.591 1.00 5.25 C ATOM 1424 SD MET A 528 -1.899 0.200 -7.338 1.00 50.01 S ATOM 1425 CE MET A 528 -2.785 -0.853 -8.486 1.00 51.41 C ATOM 0 H MET A 528 1.905 0.295 -3.953 1.00 44.42 H new ATOM 0 HA MET A 528 0.525 -2.123 -4.342 1.00 22.52 H new ATOM 0 HB2 MET A 528 -0.473 0.057 -4.757 1.00 42.22 H new ATOM 0 HB3 MET A 528 0.712 0.414 -5.997 1.00 42.22 H new ATOM 0 HG2 MET A 528 -0.171 -1.459 -7.373 1.00 5.25 H new ATOM 0 HG3 MET A 528 -1.363 -1.802 -6.135 1.00 5.25 H new ATOM 0 HE1 MET A 528 -3.829 -0.544 -8.531 1.00 51.41 H new ATOM 0 HE2 MET A 528 -2.338 -0.768 -9.477 1.00 51.41 H new ATOM 0 HE3 MET A 528 -2.727 -1.888 -8.149 1.00 51.41 H new ATOM 1435 N ASN A 529 2.887 -1.431 -6.531 1.00 73.14 N ATOM 1436 CA ASN A 529 3.699 -2.018 -7.589 1.00 4.01 C ATOM 1437 C ASN A 529 4.575 -3.116 -7.021 1.00 42.02 C ATOM 1438 O ASN A 529 4.790 -4.146 -7.647 1.00 61.24 O ATOM 1439 CB ASN A 529 4.543 -0.946 -8.311 1.00 24.04 C ATOM 1440 CG ASN A 529 5.392 -1.508 -9.460 1.00 2.13 C ATOM 1441 OD1 ASN A 529 4.917 -1.625 -10.593 1.00 11.22 O ATOM 1442 ND2 ASN A 529 6.643 -1.794 -9.202 1.00 22.51 N ATOM 0 H ASN A 529 3.130 -0.470 -6.292 1.00 73.14 H new ATOM 0 HA ASN A 529 3.033 -2.455 -8.332 1.00 4.01 H new ATOM 0 HB2 ASN A 529 3.879 -0.175 -8.703 1.00 24.04 H new ATOM 0 HB3 ASN A 529 5.199 -0.463 -7.587 1.00 24.04 H new ATOM 0 HD21 ASN A 529 7.255 -2.124 -9.948 1.00 22.51 H new ATOM 0 HD22 ASN A 529 7.006 -1.687 -8.255 1.00 22.51 H new ATOM 1449 N PHE A 530 5.012 -2.909 -5.801 1.00 74.13 N ATOM 1450 CA PHE A 530 5.873 -3.839 -5.105 1.00 32.43 C ATOM 1451 C PHE A 530 5.161 -5.162 -4.864 1.00 13.00 C ATOM 1452 O PHE A 530 5.752 -6.226 -5.050 1.00 43.42 O ATOM 1453 CB PHE A 530 6.367 -3.213 -3.786 1.00 35.51 C ATOM 1454 CG PHE A 530 7.389 -4.014 -3.020 1.00 21.21 C ATOM 1455 CD1 PHE A 530 8.732 -3.943 -3.355 1.00 12.43 C ATOM 1456 CD2 PHE A 530 7.011 -4.813 -1.952 1.00 32.12 C ATOM 1457 CE1 PHE A 530 9.676 -4.650 -2.644 1.00 32.12 C ATOM 1458 CE2 PHE A 530 7.952 -5.526 -1.237 1.00 60.45 C ATOM 1459 CZ PHE A 530 9.286 -5.443 -1.585 1.00 14.40 C ATOM 0 H PHE A 530 4.777 -2.079 -5.256 1.00 74.13 H new ATOM 0 HA PHE A 530 6.742 -4.049 -5.728 1.00 32.43 H new ATOM 0 HB2 PHE A 530 6.793 -2.234 -4.008 1.00 35.51 H new ATOM 0 HB3 PHE A 530 5.505 -3.047 -3.140 1.00 35.51 H new ATOM 0 HD1 PHE A 530 9.042 -3.325 -4.185 1.00 12.43 H new ATOM 0 HD2 PHE A 530 5.969 -4.878 -1.676 1.00 32.12 H new ATOM 0 HE1 PHE A 530 10.719 -4.584 -2.915 1.00 32.12 H new ATOM 0 HE2 PHE A 530 7.646 -6.147 -0.408 1.00 60.45 H new ATOM 0 HZ PHE A 530 10.025 -6.000 -1.027 1.00 14.40 H new ATOM 1469 N VAL A 531 3.897 -5.115 -4.486 1.00 44.25 N ATOM 1470 CA VAL A 531 3.173 -6.341 -4.259 1.00 63.01 C ATOM 1471 C VAL A 531 2.790 -6.988 -5.596 1.00 50.04 C ATOM 1472 O VAL A 531 2.836 -8.209 -5.740 1.00 62.05 O ATOM 1473 CB VAL A 531 1.930 -6.144 -3.346 1.00 13.03 C ATOM 1474 CG1 VAL A 531 1.189 -7.466 -3.129 1.00 23.34 C ATOM 1475 CG2 VAL A 531 2.351 -5.564 -2.000 1.00 0.33 C ATOM 0 H VAL A 531 3.364 -4.259 -4.334 1.00 44.25 H new ATOM 0 HA VAL A 531 3.838 -7.016 -3.721 1.00 63.01 H new ATOM 0 HB VAL A 531 1.255 -5.448 -3.845 1.00 13.03 H new ATOM 0 HG11 VAL A 531 0.325 -7.297 -2.487 1.00 23.34 H new ATOM 0 HG12 VAL A 531 0.856 -7.859 -4.090 1.00 23.34 H new ATOM 0 HG13 VAL A 531 1.858 -8.185 -2.656 1.00 23.34 H new ATOM 0 HG21 VAL A 531 1.471 -5.431 -1.370 1.00 0.33 H new ATOM 0 HG22 VAL A 531 3.047 -6.246 -1.512 1.00 0.33 H new ATOM 0 HG23 VAL A 531 2.836 -4.600 -2.155 1.00 0.33 H new ATOM 1485 N LEU A 532 2.487 -6.157 -6.587 1.00 41.24 N ATOM 1486 CA LEU A 532 2.123 -6.648 -7.913 1.00 63.42 C ATOM 1487 C LEU A 532 3.314 -7.312 -8.612 1.00 23.34 C ATOM 1488 O LEU A 532 3.149 -8.295 -9.352 1.00 3.10 O ATOM 1489 CB LEU A 532 1.546 -5.524 -8.790 1.00 70.52 C ATOM 1490 CG LEU A 532 0.215 -4.913 -8.334 1.00 2.54 C ATOM 1491 CD1 LEU A 532 -0.203 -3.795 -9.273 1.00 1.03 C ATOM 1492 CD2 LEU A 532 -0.876 -5.973 -8.261 1.00 44.32 C ATOM 0 H LEU A 532 2.486 -5.141 -6.498 1.00 41.24 H new ATOM 0 HA LEU A 532 1.348 -7.402 -7.772 1.00 63.42 H new ATOM 0 HB2 LEU A 532 2.285 -4.725 -8.850 1.00 70.52 H new ATOM 0 HB3 LEU A 532 1.414 -5.913 -9.800 1.00 70.52 H new ATOM 0 HG LEU A 532 0.358 -4.501 -7.335 1.00 2.54 H new ATOM 0 HD11 LEU A 532 -1.149 -3.372 -8.936 1.00 1.03 H new ATOM 0 HD12 LEU A 532 0.561 -3.018 -9.277 1.00 1.03 H new ATOM 0 HD13 LEU A 532 -0.322 -4.192 -10.281 1.00 1.03 H new ATOM 0 HD21 LEU A 532 -1.809 -5.513 -7.935 1.00 44.32 H new ATOM 0 HD22 LEU A 532 -1.016 -6.420 -9.245 1.00 44.32 H new ATOM 0 HD23 LEU A 532 -0.585 -6.746 -7.550 1.00 44.32 H new