USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 825 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 514 ASN : amide:sc= -1.95 K(o=-2.3,f=-8.1!) USER MOD Set 1.2: A 534 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 441 THR OG1 : rot 71:sc= 0.183 USER MOD Single : A 445 LYS NZ :NH3+ 167:sc= -0.0188 (180deg=-0.231) USER MOD Single : A 453 ASN : amide:sc= -3.26! K(o=-3.3!,f=-2.4) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 458 TYR OH : rot -146:sc= 0.893 USER MOD Single : A 461 HIS : no HE2:sc= 0.637 K(o=0.64,f=-3.6!) USER MOD Single : A 463 LYS NZ :NH3+ 155:sc= 0.847 (180deg=0.451) USER MOD Single : A 464 ASN : amide:sc= -0.275 K(o=-0.28,f=-8.3!) USER MOD Single : A 472 SER OG : rot 180:sc= 0 USER MOD Single : A 473 THR OG1 : rot 93:sc= 0.0518 USER MOD Single : A 474 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 478 TYR OH : rot -137:sc= 0.0673 USER MOD Single : A 480 ASN : amide:sc= 0.0612 K(o=0.061,f=-4.9!) USER MOD Single : A 482 THR OG1 : rot 180:sc= 0 USER MOD Single : A 484 TYR OH : rot 49:sc= 0.71 USER MOD Single : A 485 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 486 ASN : amide:sc=-0.00969 X(o=-0.0097,f=-0.0023) USER MOD Single : A 488 THR OG1 : rot 180:sc= 0 USER MOD Single : A 490 SER OG : rot 180:sc= 0 USER MOD Single : A 494 LYS NZ :NH3+ 167:sc= -0.0405 (180deg=-0.29) USER MOD Single : A 497 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 500 THR OG1 : rot 180:sc= 0 USER MOD Single : A 502 SER OG : rot 29:sc= 0.386 USER MOD Single : A 504 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 THR OG1 : rot 180:sc= 0 USER MOD Single : A 507 GLN : amide:sc= -0.0497 K(o=-0.05,f=-1) USER MOD Single : A 510 MET CE :methyl -167:sc= -0.559 (180deg=-0.729) USER MOD Single : A 511 TYR OH : rot 37:sc= 0.746 USER MOD Single : A 516 THR OG1 : rot 59:sc= -0.187 USER MOD Single : A 521 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.33) USER MOD Single : A 522 THR OG1 : rot -71:sc= 0.213 USER MOD Single : A 527 ASN : amide:sc= -0.313 K(o=-0.31,f=-7.6!) USER MOD Single : A 529 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 530 ASN : amide:sc= -3.47! C(o=-3.5!,f=-3.9!) USER MOD Single : A 531 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.16) USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PHE A 437 -7.311 13.247 16.499 1.00 42.53 N ATOM 36 CA PHE A 437 -6.626 13.163 15.207 1.00 54.44 C ATOM 37 C PHE A 437 -6.341 11.698 14.839 1.00 20.22 C ATOM 38 O PHE A 437 -5.829 10.932 15.661 1.00 43.15 O ATOM 39 CB PHE A 437 -5.310 13.953 15.246 1.00 31.24 C ATOM 40 CG PHE A 437 -5.489 15.426 15.515 1.00 13.34 C ATOM 41 CD1 PHE A 437 -5.562 15.903 16.817 1.00 51.34 C ATOM 42 CD2 PHE A 437 -5.585 16.332 14.468 1.00 31.42 C ATOM 43 CE1 PHE A 437 -5.727 17.249 17.067 1.00 11.43 C ATOM 44 CE2 PHE A 437 -5.750 17.681 14.716 1.00 23.13 C ATOM 45 CZ PHE A 437 -5.820 18.140 16.017 1.00 4.35 C ATOM 0 HA PHE A 437 -7.279 13.596 14.449 1.00 54.44 H new ATOM 0 HB2 PHE A 437 -4.666 13.529 16.016 1.00 31.24 H new ATOM 0 HB3 PHE A 437 -4.794 13.828 14.294 1.00 31.24 H new ATOM 0 HD1 PHE A 437 -5.489 15.212 17.644 1.00 51.34 H new ATOM 0 HD2 PHE A 437 -5.530 15.979 13.449 1.00 31.42 H new ATOM 0 HE1 PHE A 437 -5.783 17.606 18.085 1.00 11.43 H new ATOM 0 HE2 PHE A 437 -5.824 18.376 13.893 1.00 23.13 H new ATOM 0 HZ PHE A 437 -5.947 19.195 16.212 1.00 4.35 H new ATOM 55 N PRO A 438 -6.688 11.282 13.608 1.00 5.22 N ATOM 56 CA PRO A 438 -6.435 9.913 13.136 1.00 51.40 C ATOM 57 C PRO A 438 -4.952 9.639 12.837 1.00 25.20 C ATOM 58 O PRO A 438 -4.106 10.530 12.948 1.00 31.42 O ATOM 59 CB PRO A 438 -7.292 9.807 11.869 1.00 61.13 C ATOM 60 CG PRO A 438 -7.436 11.208 11.376 1.00 10.32 C ATOM 61 CD PRO A 438 -7.360 12.108 12.585 1.00 14.41 C ATOM 0 HA PRO A 438 -6.688 9.172 13.894 1.00 51.40 H new ATOM 0 HB2 PRO A 438 -6.814 9.174 11.122 1.00 61.13 H new ATOM 0 HB3 PRO A 438 -8.264 9.364 12.087 1.00 61.13 H new ATOM 0 HG2 PRO A 438 -6.647 11.450 10.664 1.00 10.32 H new ATOM 0 HG3 PRO A 438 -8.385 11.339 10.856 1.00 10.32 H new ATOM 0 HD2 PRO A 438 -6.795 13.015 12.371 1.00 14.41 H new ATOM 0 HD3 PRO A 438 -8.352 12.420 12.913 1.00 14.41 H new ATOM 69 N ASP A 439 -4.641 8.390 12.497 1.00 73.32 N ATOM 70 CA ASP A 439 -3.268 7.988 12.180 1.00 20.30 C ATOM 71 C ASP A 439 -3.277 6.768 11.238 1.00 11.01 C ATOM 72 O ASP A 439 -3.166 5.623 11.679 1.00 24.20 O ATOM 73 CB ASP A 439 -2.503 7.683 13.479 1.00 41.55 C ATOM 74 CG ASP A 439 -0.999 7.580 13.285 1.00 21.25 C ATOM 75 OD1 ASP A 439 -0.348 8.633 13.129 1.00 63.24 O ATOM 76 OD2 ASP A 439 -0.459 6.453 13.316 1.00 70.22 O ATOM 0 H ASP A 439 -5.323 7.634 12.433 1.00 73.32 H new ATOM 0 HA ASP A 439 -2.760 8.804 11.667 1.00 20.30 H new ATOM 0 HB2 ASP A 439 -2.715 8.465 14.209 1.00 41.55 H new ATOM 0 HB3 ASP A 439 -2.873 6.747 13.898 1.00 41.55 H new ATOM 81 N LEU A 440 -3.463 7.023 9.945 1.00 34.45 N ATOM 82 CA LEU A 440 -3.554 5.958 8.942 1.00 11.24 C ATOM 83 C LEU A 440 -2.174 5.561 8.408 1.00 52.32 C ATOM 84 O LEU A 440 -1.288 6.398 8.240 1.00 51.23 O ATOM 85 CB LEU A 440 -4.446 6.405 7.770 1.00 54.21 C ATOM 86 CG LEU A 440 -5.913 6.709 8.125 1.00 22.44 C ATOM 87 CD1 LEU A 440 -6.647 7.294 6.921 1.00 1.23 C ATOM 88 CD2 LEU A 440 -6.617 5.450 8.631 1.00 64.10 C ATOM 0 H LEU A 440 -3.555 7.964 9.563 1.00 34.45 H new ATOM 0 HA LEU A 440 -3.994 5.088 9.430 1.00 11.24 H new ATOM 0 HB2 LEU A 440 -4.007 7.297 7.323 1.00 54.21 H new ATOM 0 HB3 LEU A 440 -4.430 5.626 7.008 1.00 54.21 H new ATOM 0 HG LEU A 440 -5.926 7.450 8.924 1.00 22.44 H new ATOM 0 HD11 LEU A 440 -7.682 7.502 7.192 1.00 1.23 H new ATOM 0 HD12 LEU A 440 -6.160 8.219 6.612 1.00 1.23 H new ATOM 0 HD13 LEU A 440 -6.624 6.579 6.098 1.00 1.23 H new ATOM 0 HD21 LEU A 440 -7.652 5.686 8.877 1.00 64.10 H new ATOM 0 HD22 LEU A 440 -6.593 4.684 7.856 1.00 64.10 H new ATOM 0 HD23 LEU A 440 -6.108 5.081 9.522 1.00 64.10 H new ATOM 100 N THR A 441 -2.001 4.273 8.139 1.00 23.45 N ATOM 101 CA THR A 441 -0.756 3.769 7.552 1.00 54.25 C ATOM 102 C THR A 441 -0.994 2.485 6.756 1.00 44.41 C ATOM 103 O THR A 441 -2.043 1.843 6.885 1.00 42.43 O ATOM 104 CB THR A 441 0.324 3.502 8.626 1.00 3.31 C ATOM 105 OG1 THR A 441 1.532 3.032 8.013 1.00 73.02 O ATOM 106 CG2 THR A 441 -0.156 2.491 9.657 1.00 13.14 C ATOM 0 H THR A 441 -2.704 3.555 8.316 1.00 23.45 H new ATOM 0 HA THR A 441 -0.398 4.550 6.881 1.00 54.25 H new ATOM 0 HB THR A 441 0.521 4.444 9.137 1.00 3.31 H new ATOM 0 HG1 THR A 441 1.958 3.767 7.524 1.00 73.02 H new ATOM 0 HG21 THR A 441 0.627 2.326 10.397 1.00 13.14 H new ATOM 0 HG22 THR A 441 -1.049 2.872 10.152 1.00 13.14 H new ATOM 0 HG23 THR A 441 -0.390 1.549 9.161 1.00 13.14 H new ATOM 114 N VAL A 442 -0.016 2.115 5.935 1.00 21.01 N ATOM 115 CA VAL A 442 -0.113 0.929 5.081 1.00 21.40 C ATOM 116 C VAL A 442 1.171 0.087 5.155 1.00 22.32 C ATOM 117 O VAL A 442 2.268 0.618 5.340 1.00 22.42 O ATOM 118 CB VAL A 442 -0.387 1.324 3.603 1.00 44.15 C ATOM 119 CG1 VAL A 442 -1.734 2.034 3.465 1.00 44.31 C ATOM 120 CG2 VAL A 442 0.739 2.203 3.056 1.00 62.53 C ATOM 0 H VAL A 442 0.863 2.624 5.841 1.00 21.01 H new ATOM 0 HA VAL A 442 -0.949 0.334 5.450 1.00 21.40 H new ATOM 0 HB VAL A 442 -0.424 0.407 3.015 1.00 44.15 H new ATOM 0 HG11 VAL A 442 -1.900 2.299 2.421 1.00 44.31 H new ATOM 0 HG12 VAL A 442 -2.531 1.371 3.802 1.00 44.31 H new ATOM 0 HG13 VAL A 442 -1.733 2.939 4.073 1.00 44.31 H new ATOM 0 HG21 VAL A 442 0.525 2.466 2.020 1.00 62.53 H new ATOM 0 HG22 VAL A 442 0.814 3.112 3.653 1.00 62.53 H new ATOM 0 HG23 VAL A 442 1.682 1.658 3.104 1.00 62.53 H new ATOM 130 N GLU A 443 1.028 -1.227 5.012 1.00 35.53 N ATOM 131 CA GLU A 443 2.176 -2.145 5.026 1.00 30.21 C ATOM 132 C GLU A 443 2.178 -3.046 3.785 1.00 15.55 C ATOM 133 O GLU A 443 1.153 -3.636 3.437 1.00 15.23 O ATOM 134 CB GLU A 443 2.145 -3.023 6.283 1.00 61.51 C ATOM 135 CG GLU A 443 2.301 -2.263 7.594 1.00 52.34 C ATOM 136 CD GLU A 443 2.148 -3.164 8.813 1.00 12.04 C ATOM 137 OE1 GLU A 443 2.760 -4.255 8.833 1.00 22.42 O ATOM 138 OE2 GLU A 443 1.400 -2.797 9.745 1.00 55.33 O ATOM 0 H GLU A 443 0.127 -1.687 4.884 1.00 35.53 H new ATOM 0 HA GLU A 443 3.082 -1.539 5.025 1.00 30.21 H new ATOM 0 HB2 GLU A 443 1.202 -3.569 6.305 1.00 61.51 H new ATOM 0 HB3 GLU A 443 2.941 -3.764 6.212 1.00 61.51 H new ATOM 0 HG2 GLU A 443 3.281 -1.786 7.619 1.00 52.34 H new ATOM 0 HG3 GLU A 443 1.558 -1.467 7.639 1.00 52.34 H new ATOM 145 N ILE A 444 3.330 -3.155 3.129 1.00 41.31 N ATOM 146 CA ILE A 444 3.484 -4.047 1.976 1.00 45.23 C ATOM 147 C ILE A 444 4.181 -5.355 2.391 1.00 41.10 C ATOM 148 O ILE A 444 5.269 -5.339 2.969 1.00 53.13 O ATOM 149 CB ILE A 444 4.288 -3.367 0.839 1.00 12.31 C ATOM 150 CG1 ILE A 444 3.609 -2.050 0.421 1.00 5.13 C ATOM 151 CG2 ILE A 444 4.432 -4.308 -0.360 1.00 21.42 C ATOM 152 CD1 ILE A 444 4.356 -1.285 -0.651 1.00 51.31 C ATOM 0 H ILE A 444 4.174 -2.637 3.374 1.00 41.31 H new ATOM 0 HA ILE A 444 2.485 -4.275 1.604 1.00 45.23 H new ATOM 0 HB ILE A 444 5.287 -3.138 1.209 1.00 12.31 H new ATOM 0 HG12 ILE A 444 2.603 -2.270 0.062 1.00 5.13 H new ATOM 0 HG13 ILE A 444 3.502 -1.414 1.299 1.00 5.13 H new ATOM 0 HG21 ILE A 444 5.000 -3.811 -1.147 1.00 21.42 H new ATOM 0 HG22 ILE A 444 4.955 -5.213 -0.051 1.00 21.42 H new ATOM 0 HG23 ILE A 444 3.444 -4.571 -0.737 1.00 21.42 H new ATOM 0 HD11 ILE A 444 3.814 -0.370 -0.890 1.00 51.31 H new ATOM 0 HD12 ILE A 444 5.353 -1.032 -0.290 1.00 51.31 H new ATOM 0 HD13 ILE A 444 4.440 -1.901 -1.546 1.00 51.31 H new ATOM 164 N LYS A 445 3.546 -6.481 2.097 1.00 14.30 N ATOM 165 CA LYS A 445 4.055 -7.797 2.493 1.00 63.03 C ATOM 166 C LYS A 445 4.122 -8.745 1.285 1.00 21.10 C ATOM 167 O LYS A 445 3.166 -8.853 0.524 1.00 60.04 O ATOM 168 CB LYS A 445 3.134 -8.369 3.584 1.00 33.11 C ATOM 169 CG LYS A 445 3.494 -9.769 4.066 1.00 21.41 C ATOM 170 CD LYS A 445 4.895 -9.834 4.667 1.00 4.12 C ATOM 171 CE LYS A 445 5.174 -11.201 5.281 1.00 73.44 C ATOM 172 NZ LYS A 445 4.871 -12.313 4.339 1.00 14.35 N ATOM 0 H LYS A 445 2.667 -6.514 1.580 1.00 14.30 H new ATOM 0 HA LYS A 445 5.068 -7.695 2.882 1.00 63.03 H new ATOM 0 HB2 LYS A 445 3.146 -7.693 4.439 1.00 33.11 H new ATOM 0 HB3 LYS A 445 2.112 -8.384 3.204 1.00 33.11 H new ATOM 0 HG2 LYS A 445 2.767 -10.092 4.811 1.00 21.41 H new ATOM 0 HG3 LYS A 445 3.427 -10.466 3.231 1.00 21.41 H new ATOM 0 HD2 LYS A 445 5.634 -9.623 3.894 1.00 4.12 H new ATOM 0 HD3 LYS A 445 5.002 -9.062 5.429 1.00 4.12 H new ATOM 0 HE2 LYS A 445 6.221 -11.256 5.581 1.00 73.44 H new ATOM 0 HE3 LYS A 445 4.577 -11.320 6.185 1.00 73.44 H new ATOM 0 HZ1 LYS A 445 5.275 -13.198 4.705 1.00 14.35 H new ATOM 0 HZ2 LYS A 445 3.841 -12.416 4.244 1.00 14.35 H new ATOM 0 HZ3 LYS A 445 5.285 -12.102 3.409 1.00 14.35 H new ATOM 186 N GLY A 446 5.256 -9.421 1.105 1.00 30.05 N ATOM 187 CA GLY A 446 5.403 -10.346 -0.019 1.00 4.21 C ATOM 188 C GLY A 446 6.857 -10.623 -0.410 1.00 35.54 C ATOM 189 O GLY A 446 7.787 -10.204 0.286 1.00 13.44 O ATOM 0 H GLY A 446 6.073 -9.349 1.711 1.00 30.05 H new ATOM 0 HA2 GLY A 446 4.919 -11.289 0.234 1.00 4.21 H new ATOM 0 HA3 GLY A 446 4.876 -9.939 -0.882 1.00 4.21 H new ATOM 193 N PRO A 447 7.079 -11.341 -1.531 1.00 21.53 N ATOM 194 CA PRO A 447 8.434 -11.691 -2.007 1.00 24.13 C ATOM 195 C PRO A 447 9.193 -10.495 -2.615 1.00 71.44 C ATOM 196 O PRO A 447 8.645 -9.733 -3.411 1.00 34.11 O ATOM 197 CB PRO A 447 8.158 -12.757 -3.078 1.00 14.41 C ATOM 198 CG PRO A 447 6.798 -12.423 -3.597 1.00 3.40 C ATOM 199 CD PRO A 447 6.026 -11.878 -2.420 1.00 63.31 C ATOM 0 HA PRO A 447 9.074 -12.029 -1.192 1.00 24.13 H new ATOM 0 HB2 PRO A 447 8.905 -12.725 -3.872 1.00 14.41 H new ATOM 0 HB3 PRO A 447 8.186 -13.761 -2.655 1.00 14.41 H new ATOM 0 HG2 PRO A 447 6.856 -11.688 -4.400 1.00 3.40 H new ATOM 0 HG3 PRO A 447 6.310 -13.306 -4.009 1.00 3.40 H new ATOM 0 HD2 PRO A 447 5.325 -11.101 -2.726 1.00 63.31 H new ATOM 0 HD3 PRO A 447 5.444 -12.657 -1.927 1.00 63.31 H new ATOM 207 N ASP A 448 10.467 -10.355 -2.248 1.00 21.33 N ATOM 208 CA ASP A 448 11.305 -9.247 -2.730 1.00 71.41 C ATOM 209 C ASP A 448 11.953 -9.557 -4.095 1.00 32.01 C ATOM 210 O ASP A 448 12.459 -8.661 -4.769 1.00 62.23 O ATOM 211 CB ASP A 448 12.382 -8.931 -1.688 1.00 50.15 C ATOM 212 CG ASP A 448 13.232 -10.142 -1.359 1.00 22.11 C ATOM 213 OD1 ASP A 448 12.727 -11.061 -0.680 1.00 0.51 O ATOM 214 OD2 ASP A 448 14.402 -10.191 -1.780 1.00 21.42 O ATOM 0 H ASP A 448 10.947 -10.996 -1.616 1.00 21.33 H new ATOM 0 HA ASP A 448 10.662 -8.378 -2.873 1.00 71.41 H new ATOM 0 HB2 ASP A 448 13.021 -8.130 -2.060 1.00 50.15 H new ATOM 0 HB3 ASP A 448 11.908 -8.564 -0.778 1.00 50.15 H new ATOM 219 N VAL A 449 11.953 -10.831 -4.487 1.00 13.42 N ATOM 220 CA VAL A 449 12.482 -11.250 -5.795 1.00 21.34 C ATOM 221 C VAL A 449 11.484 -12.171 -6.514 1.00 70.32 C ATOM 222 O VAL A 449 10.963 -13.116 -5.920 1.00 21.53 O ATOM 223 CB VAL A 449 13.842 -11.986 -5.655 1.00 42.14 C ATOM 224 CG1 VAL A 449 14.346 -12.473 -7.017 1.00 62.34 C ATOM 225 CG2 VAL A 449 14.879 -11.087 -4.984 1.00 2.32 C ATOM 0 H VAL A 449 11.592 -11.597 -3.918 1.00 13.42 H new ATOM 0 HA VAL A 449 12.635 -10.344 -6.382 1.00 21.34 H new ATOM 0 HB VAL A 449 13.687 -12.859 -5.021 1.00 42.14 H new ATOM 0 HG11 VAL A 449 15.300 -12.985 -6.890 1.00 62.34 H new ATOM 0 HG12 VAL A 449 13.619 -13.161 -7.449 1.00 62.34 H new ATOM 0 HG13 VAL A 449 14.478 -11.620 -7.682 1.00 62.34 H new ATOM 0 HG21 VAL A 449 15.824 -11.624 -4.897 1.00 2.32 H new ATOM 0 HG22 VAL A 449 15.026 -10.190 -5.585 1.00 2.32 H new ATOM 0 HG23 VAL A 449 14.528 -10.805 -3.991 1.00 2.32 H new ATOM 235 N VAL A 450 11.209 -11.885 -7.787 1.00 63.14 N ATOM 236 CA VAL A 450 10.259 -12.683 -8.579 1.00 71.11 C ATOM 237 C VAL A 450 10.793 -12.968 -9.993 1.00 53.14 C ATOM 238 O VAL A 450 11.656 -12.250 -10.504 1.00 2.43 O ATOM 239 CB VAL A 450 8.881 -11.980 -8.687 1.00 64.23 C ATOM 240 CG1 VAL A 450 8.242 -11.818 -7.307 1.00 73.44 C ATOM 241 CG2 VAL A 450 9.013 -10.628 -9.386 1.00 24.42 C ATOM 0 H VAL A 450 11.628 -11.107 -8.296 1.00 63.14 H new ATOM 0 HA VAL A 450 10.138 -13.630 -8.052 1.00 71.11 H new ATOM 0 HB VAL A 450 8.228 -12.610 -9.290 1.00 64.23 H new ATOM 0 HG11 VAL A 450 7.277 -11.322 -7.409 1.00 73.44 H new ATOM 0 HG12 VAL A 450 8.100 -12.799 -6.854 1.00 73.44 H new ATOM 0 HG13 VAL A 450 8.893 -11.217 -6.673 1.00 73.44 H new ATOM 0 HG21 VAL A 450 8.033 -10.154 -9.450 1.00 24.42 H new ATOM 0 HG22 VAL A 450 9.689 -9.989 -8.818 1.00 24.42 H new ATOM 0 HG23 VAL A 450 9.411 -10.775 -10.390 1.00 24.42 H new ATOM 251 N GLY A 451 10.272 -14.024 -10.617 1.00 31.34 N ATOM 252 CA GLY A 451 10.678 -14.374 -11.977 1.00 25.31 C ATOM 253 C GLY A 451 9.810 -13.718 -13.050 1.00 71.11 C ATOM 254 O GLY A 451 8.675 -13.317 -12.787 1.00 44.13 O ATOM 0 H GLY A 451 9.575 -14.646 -10.207 1.00 31.34 H new ATOM 0 HA2 GLY A 451 11.716 -14.078 -12.127 1.00 25.31 H new ATOM 0 HA3 GLY A 451 10.635 -15.457 -12.095 1.00 25.31 H new ATOM 258 N VAL A 452 10.340 -13.617 -14.266 1.00 42.43 N ATOM 259 CA VAL A 452 9.616 -12.991 -15.374 1.00 11.21 C ATOM 260 C VAL A 452 8.380 -13.819 -15.784 1.00 31.20 C ATOM 261 O VAL A 452 8.446 -15.048 -15.905 1.00 73.55 O ATOM 262 CB VAL A 452 10.542 -12.770 -16.602 1.00 2.21 C ATOM 263 CG1 VAL A 452 10.949 -14.099 -17.237 1.00 41.21 C ATOM 264 CG2 VAL A 452 9.884 -11.841 -17.623 1.00 44.53 C ATOM 0 H VAL A 452 11.269 -13.960 -14.511 1.00 42.43 H new ATOM 0 HA VAL A 452 9.274 -12.019 -15.020 1.00 11.21 H new ATOM 0 HB VAL A 452 11.453 -12.285 -16.251 1.00 2.21 H new ATOM 0 HG11 VAL A 452 11.596 -13.910 -18.093 1.00 41.21 H new ATOM 0 HG12 VAL A 452 11.484 -14.704 -16.504 1.00 41.21 H new ATOM 0 HG13 VAL A 452 10.058 -14.633 -17.567 1.00 41.21 H new ATOM 0 HG21 VAL A 452 10.552 -11.703 -18.473 1.00 44.53 H new ATOM 0 HG22 VAL A 452 8.948 -12.282 -17.966 1.00 44.53 H new ATOM 0 HG23 VAL A 452 9.682 -10.876 -17.159 1.00 44.53 H new ATOM 274 N ASN A 453 7.252 -13.130 -15.976 1.00 51.13 N ATOM 275 CA ASN A 453 5.968 -13.755 -16.339 1.00 4.54 C ATOM 276 C ASN A 453 5.430 -14.675 -15.228 1.00 64.23 C ATOM 277 O ASN A 453 4.446 -15.389 -15.429 1.00 33.13 O ATOM 278 CB ASN A 453 6.075 -14.529 -17.661 1.00 5.50 C ATOM 279 CG ASN A 453 6.559 -13.656 -18.805 1.00 1.01 C ATOM 280 OD1 ASN A 453 5.787 -12.934 -19.422 1.00 75.24 O ATOM 281 ND2 ASN A 453 7.838 -13.732 -19.108 1.00 4.22 N ATOM 0 H ASN A 453 7.199 -12.116 -15.884 1.00 51.13 H new ATOM 0 HA ASN A 453 5.256 -12.940 -16.468 1.00 4.54 H new ATOM 0 HB2 ASN A 453 6.759 -15.368 -17.533 1.00 5.50 H new ATOM 0 HB3 ASN A 453 5.101 -14.947 -17.914 1.00 5.50 H new ATOM 0 HD21 ASN A 453 8.213 -13.178 -19.878 1.00 4.22 H new ATOM 0 HD22 ASN A 453 8.453 -14.344 -18.573 1.00 4.22 H new ATOM 288 N LYS A 454 6.058 -14.645 -14.053 1.00 5.22 N ATOM 289 CA LYS A 454 5.606 -15.456 -12.916 1.00 31.24 C ATOM 290 C LYS A 454 4.548 -14.718 -12.084 1.00 0.03 C ATOM 291 O LYS A 454 4.406 -13.498 -12.175 1.00 20.31 O ATOM 292 CB LYS A 454 6.793 -15.843 -12.025 1.00 42.11 C ATOM 293 CG LYS A 454 7.816 -16.747 -12.711 1.00 1.14 C ATOM 294 CD LYS A 454 7.214 -18.087 -13.140 1.00 52.05 C ATOM 295 CE LYS A 454 6.643 -18.862 -11.957 1.00 71.54 C ATOM 296 NZ LYS A 454 6.160 -20.213 -12.351 1.00 31.35 N ATOM 0 H LYS A 454 6.879 -14.071 -13.861 1.00 5.22 H new ATOM 0 HA LYS A 454 5.151 -16.361 -13.320 1.00 31.24 H new ATOM 0 HB2 LYS A 454 7.293 -14.935 -11.689 1.00 42.11 H new ATOM 0 HB3 LYS A 454 6.417 -16.347 -11.135 1.00 42.11 H new ATOM 0 HG2 LYS A 454 8.220 -16.236 -13.585 1.00 1.14 H new ATOM 0 HG3 LYS A 454 8.651 -16.927 -12.033 1.00 1.14 H new ATOM 0 HD2 LYS A 454 6.426 -17.912 -13.873 1.00 52.05 H new ATOM 0 HD3 LYS A 454 7.979 -18.688 -13.631 1.00 52.05 H new ATOM 0 HE2 LYS A 454 7.408 -18.962 -11.187 1.00 71.54 H new ATOM 0 HE3 LYS A 454 5.820 -18.298 -11.518 1.00 71.54 H new ATOM 0 HZ1 LYS A 454 5.781 -20.703 -11.516 1.00 31.35 H new ATOM 0 HZ2 LYS A 454 5.412 -20.119 -13.067 1.00 31.35 H new ATOM 0 HZ3 LYS A 454 6.950 -20.762 -12.746 1.00 31.35 H new ATOM 310 N LEU A 455 3.810 -15.461 -11.268 1.00 30.23 N ATOM 311 CA LEU A 455 2.754 -14.880 -10.437 1.00 14.43 C ATOM 312 C LEU A 455 3.231 -14.683 -8.991 1.00 51.31 C ATOM 313 O LEU A 455 3.631 -15.638 -8.321 1.00 12.25 O ATOM 314 CB LEU A 455 1.513 -15.782 -10.451 1.00 72.23 C ATOM 315 CG LEU A 455 0.250 -15.162 -9.831 1.00 71.32 C ATOM 316 CD1 LEU A 455 -0.204 -13.957 -10.648 1.00 25.01 C ATOM 317 CD2 LEU A 455 -0.865 -16.199 -9.719 1.00 62.42 C ATOM 0 H LEU A 455 3.921 -16.469 -11.162 1.00 30.23 H new ATOM 0 HA LEU A 455 2.500 -13.905 -10.853 1.00 14.43 H new ATOM 0 HB2 LEU A 455 1.295 -16.058 -11.483 1.00 72.23 H new ATOM 0 HB3 LEU A 455 1.746 -16.703 -9.917 1.00 72.23 H new ATOM 0 HG LEU A 455 0.490 -14.822 -8.824 1.00 71.32 H new ATOM 0 HD11 LEU A 455 -1.099 -13.528 -10.197 1.00 25.01 H new ATOM 0 HD12 LEU A 455 0.588 -13.209 -10.664 1.00 25.01 H new ATOM 0 HD13 LEU A 455 -0.426 -14.272 -11.668 1.00 25.01 H new ATOM 0 HD21 LEU A 455 -1.748 -15.737 -9.278 1.00 62.42 H new ATOM 0 HD22 LEU A 455 -1.111 -16.578 -10.711 1.00 62.42 H new ATOM 0 HD23 LEU A 455 -0.533 -17.024 -9.088 1.00 62.42 H new ATOM 329 N ALA A 456 3.197 -13.441 -8.513 1.00 34.12 N ATOM 330 CA ALA A 456 3.586 -13.130 -7.133 1.00 35.31 C ATOM 331 C ALA A 456 2.430 -12.486 -6.354 1.00 54.24 C ATOM 332 O ALA A 456 1.783 -11.558 -6.845 1.00 74.43 O ATOM 333 CB ALA A 456 4.802 -12.210 -7.130 1.00 2.11 C ATOM 0 H ALA A 456 2.904 -12.631 -9.059 1.00 34.12 H new ATOM 0 HA ALA A 456 3.840 -14.066 -6.635 1.00 35.31 H new ATOM 0 HB1 ALA A 456 5.085 -11.984 -6.102 1.00 2.11 H new ATOM 0 HB2 ALA A 456 5.633 -12.703 -7.634 1.00 2.11 H new ATOM 0 HB3 ALA A 456 4.559 -11.284 -7.652 1.00 2.11 H new ATOM 339 N GLU A 457 2.177 -12.974 -5.141 1.00 63.32 N ATOM 340 CA GLU A 457 1.102 -12.437 -4.296 1.00 21.41 C ATOM 341 C GLU A 457 1.645 -11.527 -3.189 1.00 71.43 C ATOM 342 O GLU A 457 2.549 -11.903 -2.438 1.00 72.43 O ATOM 343 CB GLU A 457 0.272 -13.572 -3.679 1.00 22.40 C ATOM 344 CG GLU A 457 -0.702 -14.216 -4.657 1.00 34.34 C ATOM 345 CD GLU A 457 -1.553 -15.299 -4.015 1.00 40.32 C ATOM 346 OE1 GLU A 457 -2.637 -14.970 -3.483 1.00 4.50 O ATOM 347 OE2 GLU A 457 -1.145 -16.479 -4.035 1.00 34.44 O ATOM 0 H GLU A 457 2.700 -13.741 -4.718 1.00 63.32 H new ATOM 0 HA GLU A 457 0.461 -11.837 -4.941 1.00 21.41 H new ATOM 0 HB2 GLU A 457 0.947 -14.337 -3.295 1.00 22.40 H new ATOM 0 HB3 GLU A 457 -0.286 -13.182 -2.828 1.00 22.40 H new ATOM 0 HG2 GLU A 457 -1.354 -13.447 -5.073 1.00 34.34 H new ATOM 0 HG3 GLU A 457 -0.144 -14.645 -5.489 1.00 34.34 H new ATOM 354 N TYR A 458 1.074 -10.330 -3.092 1.00 62.30 N ATOM 355 CA TYR A 458 1.452 -9.361 -2.060 1.00 33.13 C ATOM 356 C TYR A 458 0.233 -8.963 -1.212 1.00 34.44 C ATOM 357 O TYR A 458 -0.909 -9.021 -1.677 1.00 22.13 O ATOM 358 CB TYR A 458 2.061 -8.103 -2.698 1.00 62.45 C ATOM 359 CG TYR A 458 3.357 -8.342 -3.455 1.00 42.23 C ATOM 360 CD1 TYR A 458 3.347 -8.833 -4.759 1.00 3.21 C ATOM 361 CD2 TYR A 458 4.589 -8.067 -2.869 1.00 42.43 C ATOM 362 CE1 TYR A 458 4.526 -9.046 -5.450 1.00 43.52 C ATOM 363 CE2 TYR A 458 5.770 -8.277 -3.555 1.00 15.42 C ATOM 364 CZ TYR A 458 5.732 -8.766 -4.844 1.00 4.54 C ATOM 365 OH TYR A 458 6.907 -8.976 -5.527 1.00 11.01 O ATOM 0 H TYR A 458 0.340 -10.003 -3.721 1.00 62.30 H new ATOM 0 HA TYR A 458 2.194 -9.833 -1.416 1.00 33.13 H new ATOM 0 HB2 TYR A 458 1.331 -7.668 -3.381 1.00 62.45 H new ATOM 0 HB3 TYR A 458 2.243 -7.366 -1.915 1.00 62.45 H new ATOM 0 HD1 TYR A 458 2.404 -9.051 -5.238 1.00 3.21 H new ATOM 0 HD2 TYR A 458 4.623 -7.683 -1.860 1.00 42.43 H new ATOM 0 HE1 TYR A 458 4.502 -9.430 -6.459 1.00 43.52 H new ATOM 0 HE2 TYR A 458 6.717 -8.059 -3.084 1.00 15.42 H new ATOM 0 HH TYR A 458 7.603 -9.264 -4.900 1.00 11.01 H new ATOM 375 N GLU A 459 0.487 -8.548 0.025 1.00 4.45 N ATOM 376 CA GLU A 459 -0.573 -8.147 0.953 1.00 0.12 C ATOM 377 C GLU A 459 -0.379 -6.700 1.419 1.00 72.13 C ATOM 378 O GLU A 459 0.696 -6.329 1.894 1.00 12.44 O ATOM 379 CB GLU A 459 -0.573 -9.066 2.185 1.00 54.41 C ATOM 380 CG GLU A 459 -0.773 -10.542 1.868 1.00 4.41 C ATOM 381 CD GLU A 459 -0.725 -11.411 3.113 1.00 10.20 C ATOM 382 OE1 GLU A 459 -1.783 -11.606 3.753 1.00 10.41 O ATOM 383 OE2 GLU A 459 0.372 -11.887 3.469 1.00 40.03 O ATOM 0 H GLU A 459 1.427 -8.479 0.414 1.00 4.45 H new ATOM 0 HA GLU A 459 -1.523 -8.228 0.425 1.00 0.12 H new ATOM 0 HB2 GLU A 459 0.373 -8.945 2.713 1.00 54.41 H new ATOM 0 HB3 GLU A 459 -1.361 -8.743 2.865 1.00 54.41 H new ATOM 0 HG2 GLU A 459 -1.733 -10.677 1.370 1.00 4.41 H new ATOM 0 HG3 GLU A 459 -0.003 -10.869 1.170 1.00 4.41 H new ATOM 390 N VAL A 460 -1.419 -5.885 1.283 1.00 53.22 N ATOM 391 CA VAL A 460 -1.412 -4.527 1.817 1.00 44.04 C ATOM 392 C VAL A 460 -2.226 -4.456 3.117 1.00 44.32 C ATOM 393 O VAL A 460 -3.443 -4.640 3.110 1.00 1.44 O ATOM 394 CB VAL A 460 -2.000 -3.515 0.801 1.00 62.32 C ATOM 395 CG1 VAL A 460 -1.910 -2.084 1.334 1.00 10.10 C ATOM 396 CG2 VAL A 460 -1.304 -3.640 -0.551 1.00 41.01 C ATOM 0 H VAL A 460 -2.282 -6.143 0.805 1.00 53.22 H new ATOM 0 HA VAL A 460 -0.373 -4.264 2.016 1.00 44.04 H new ATOM 0 HB VAL A 460 -3.055 -3.752 0.662 1.00 62.32 H new ATOM 0 HG11 VAL A 460 -2.330 -1.395 0.601 1.00 10.10 H new ATOM 0 HG12 VAL A 460 -2.470 -2.007 2.266 1.00 10.10 H new ATOM 0 HG13 VAL A 460 -0.866 -1.828 1.516 1.00 10.10 H new ATOM 0 HG21 VAL A 460 -1.732 -2.920 -1.249 1.00 41.01 H new ATOM 0 HG22 VAL A 460 -0.239 -3.440 -0.432 1.00 41.01 H new ATOM 0 HG23 VAL A 460 -1.442 -4.649 -0.940 1.00 41.01 H new ATOM 406 N HIS A 461 -1.552 -4.198 4.230 1.00 13.22 N ATOM 407 CA HIS A 461 -2.230 -4.026 5.518 1.00 55.13 C ATOM 408 C HIS A 461 -2.550 -2.548 5.757 1.00 11.10 C ATOM 409 O HIS A 461 -1.646 -1.739 5.965 1.00 74.42 O ATOM 410 CB HIS A 461 -1.363 -4.569 6.665 1.00 41.23 C ATOM 411 CG HIS A 461 -1.261 -6.067 6.705 1.00 41.13 C ATOM 412 ND1 HIS A 461 -1.832 -6.828 7.703 1.00 64.12 N ATOM 413 CD2 HIS A 461 -0.640 -6.947 5.879 1.00 52.15 C ATOM 414 CE1 HIS A 461 -1.568 -8.101 7.493 1.00 41.34 C ATOM 415 NE2 HIS A 461 -0.852 -8.201 6.395 1.00 63.32 N ATOM 0 H HIS A 461 -0.537 -4.102 4.272 1.00 13.22 H new ATOM 0 HA HIS A 461 -3.162 -4.590 5.491 1.00 55.13 H new ATOM 0 HB2 HIS A 461 -0.361 -4.150 6.577 1.00 41.23 H new ATOM 0 HB3 HIS A 461 -1.773 -4.219 7.612 1.00 41.23 H new ATOM 0 HD1 HIS A 461 -2.376 -6.461 8.484 1.00 64.12 H new ATOM 0 HD2 HIS A 461 -0.084 -6.706 4.985 1.00 52.15 H new ATOM 0 HE1 HIS A 461 -1.886 -8.923 8.117 1.00 41.34 H new ATOM 424 N VAL A 462 -3.832 -2.202 5.715 1.00 55.33 N ATOM 425 CA VAL A 462 -4.268 -0.825 5.935 1.00 52.42 C ATOM 426 C VAL A 462 -4.901 -0.695 7.323 1.00 75.40 C ATOM 427 O VAL A 462 -5.849 -1.404 7.658 1.00 23.24 O ATOM 428 CB VAL A 462 -5.265 -0.359 4.835 1.00 63.34 C ATOM 429 CG1 VAL A 462 -4.626 -0.483 3.455 1.00 32.34 C ATOM 430 CG2 VAL A 462 -6.577 -1.145 4.885 1.00 32.43 C ATOM 0 H VAL A 462 -4.591 -2.858 5.530 1.00 55.33 H new ATOM 0 HA VAL A 462 -3.392 -0.178 5.878 1.00 52.42 H new ATOM 0 HB VAL A 462 -5.502 0.687 5.028 1.00 63.34 H new ATOM 0 HG11 VAL A 462 -5.335 -0.154 2.695 1.00 32.34 H new ATOM 0 HG12 VAL A 462 -3.732 0.139 3.411 1.00 32.34 H new ATOM 0 HG13 VAL A 462 -4.355 -1.523 3.272 1.00 32.34 H new ATOM 0 HG21 VAL A 462 -7.245 -0.789 4.101 1.00 32.43 H new ATOM 0 HG22 VAL A 462 -6.372 -2.205 4.733 1.00 32.43 H new ATOM 0 HG23 VAL A 462 -7.050 -1.002 5.857 1.00 32.43 H new ATOM 440 N LYS A 463 -4.366 0.203 8.136 1.00 34.04 N ATOM 441 CA LYS A 463 -4.755 0.282 9.546 1.00 0.45 C ATOM 442 C LYS A 463 -4.861 1.724 10.054 1.00 24.11 C ATOM 443 O LYS A 463 -4.116 2.610 9.631 1.00 42.22 O ATOM 444 CB LYS A 463 -3.746 -0.494 10.397 1.00 10.40 C ATOM 445 CG LYS A 463 -2.300 -0.232 9.997 1.00 3.33 C ATOM 446 CD LYS A 463 -1.320 -0.716 11.052 1.00 24.14 C ATOM 447 CE LYS A 463 -1.369 -2.227 11.229 1.00 44.35 C ATOM 448 NZ LYS A 463 -0.241 -2.728 12.057 1.00 41.33 N ATOM 0 H LYS A 463 -3.664 0.886 7.851 1.00 34.04 H new ATOM 0 HA LYS A 463 -5.748 -0.159 9.633 1.00 0.45 H new ATOM 0 HB2 LYS A 463 -3.881 -0.226 11.445 1.00 10.40 H new ATOM 0 HB3 LYS A 463 -3.953 -1.561 10.312 1.00 10.40 H new ATOM 0 HG2 LYS A 463 -2.090 -0.731 9.051 1.00 3.33 H new ATOM 0 HG3 LYS A 463 -2.157 0.836 9.833 1.00 3.33 H new ATOM 0 HD2 LYS A 463 -0.310 -0.417 10.772 1.00 24.14 H new ATOM 0 HD3 LYS A 463 -1.544 -0.233 12.003 1.00 24.14 H new ATOM 0 HE2 LYS A 463 -2.313 -2.507 11.696 1.00 44.35 H new ATOM 0 HE3 LYS A 463 -1.342 -2.708 10.251 1.00 44.35 H new ATOM 0 HZ1 LYS A 463 -0.511 -3.628 12.503 1.00 41.33 H new ATOM 0 HZ2 LYS A 463 0.593 -2.877 11.454 1.00 41.33 H new ATOM 0 HZ3 LYS A 463 -0.015 -2.030 12.794 1.00 41.33 H new ATOM 462 N ASN A 464 -5.810 1.940 10.960 1.00 61.51 N ATOM 463 CA ASN A 464 -5.966 3.219 11.651 1.00 51.14 C ATOM 464 C ASN A 464 -5.396 3.105 13.073 1.00 53.25 C ATOM 465 O ASN A 464 -5.757 2.200 13.820 1.00 3.50 O ATOM 466 CB ASN A 464 -7.457 3.587 11.702 1.00 10.41 C ATOM 467 CG ASN A 464 -7.729 4.982 12.242 1.00 30.41 C ATOM 468 OD1 ASN A 464 -6.982 5.517 13.060 1.00 21.35 O ATOM 469 ND2 ASN A 464 -8.819 5.575 11.801 1.00 70.24 N ATOM 0 H ASN A 464 -6.493 1.235 11.237 1.00 61.51 H new ATOM 0 HA ASN A 464 -5.424 3.999 11.116 1.00 51.14 H new ATOM 0 HB2 ASN A 464 -7.875 3.509 10.698 1.00 10.41 H new ATOM 0 HB3 ASN A 464 -7.980 2.859 12.323 1.00 10.41 H new ATOM 0 HD21 ASN A 464 -9.065 6.506 12.138 1.00 70.24 H new ATOM 0 HD22 ASN A 464 -9.417 5.104 11.122 1.00 70.24 H new ATOM 476 N LEU A 465 -4.521 4.027 13.454 1.00 35.41 N ATOM 477 CA LEU A 465 -3.858 3.965 14.766 1.00 4.04 C ATOM 478 C LEU A 465 -4.209 5.180 15.643 1.00 32.14 C ATOM 479 O LEU A 465 -3.796 5.265 16.799 1.00 63.24 O ATOM 480 CB LEU A 465 -2.336 3.868 14.567 1.00 3.22 C ATOM 481 CG LEU A 465 -1.863 2.728 13.643 1.00 42.30 C ATOM 482 CD1 LEU A 465 -0.352 2.778 13.450 1.00 3.42 C ATOM 483 CD2 LEU A 465 -2.292 1.365 14.189 1.00 71.24 C ATOM 0 H LEU A 465 -4.250 4.826 12.881 1.00 35.41 H new ATOM 0 HA LEU A 465 -4.217 3.078 15.287 1.00 4.04 H new ATOM 0 HB2 LEU A 465 -1.978 4.814 14.161 1.00 3.22 H new ATOM 0 HB3 LEU A 465 -1.866 3.741 15.542 1.00 3.22 H new ATOM 0 HG LEU A 465 -2.336 2.867 12.671 1.00 42.30 H new ATOM 0 HD11 LEU A 465 -0.042 1.964 12.795 1.00 3.42 H new ATOM 0 HD12 LEU A 465 -0.074 3.732 13.001 1.00 3.42 H new ATOM 0 HD13 LEU A 465 0.142 2.674 14.416 1.00 3.42 H new ATOM 0 HD21 LEU A 465 -1.946 0.579 13.518 1.00 71.24 H new ATOM 0 HD22 LEU A 465 -1.858 1.216 15.178 1.00 71.24 H new ATOM 0 HD23 LEU A 465 -3.379 1.328 14.261 1.00 71.24 H new ATOM 495 N GLY A 466 -4.999 6.104 15.097 1.00 63.14 N ATOM 496 CA GLY A 466 -5.359 7.319 15.830 1.00 1.35 C ATOM 497 C GLY A 466 -6.479 7.112 16.850 1.00 72.13 C ATOM 498 O GLY A 466 -6.626 7.895 17.789 1.00 1.54 O ATOM 0 H GLY A 466 -5.398 6.037 14.161 1.00 63.14 H new ATOM 0 HA2 GLY A 466 -4.476 7.697 16.345 1.00 1.35 H new ATOM 0 HA3 GLY A 466 -5.665 8.085 15.118 1.00 1.35 H new ATOM 502 N GLY A 467 -7.273 6.060 16.663 1.00 21.43 N ATOM 503 CA GLY A 467 -8.384 5.776 17.575 1.00 64.51 C ATOM 504 C GLY A 467 -9.683 6.489 17.197 1.00 34.34 C ATOM 505 O GLY A 467 -10.586 6.629 18.020 1.00 55.14 O ATOM 0 H GLY A 467 -7.172 5.395 15.897 1.00 21.43 H new ATOM 0 HA2 GLY A 467 -8.562 4.701 17.594 1.00 64.51 H new ATOM 0 HA3 GLY A 467 -8.098 6.070 18.585 1.00 64.51 H new ATOM 509 N ILE A 468 -9.784 6.929 15.946 1.00 52.30 N ATOM 510 CA ILE A 468 -10.988 7.609 15.441 1.00 70.24 C ATOM 511 C ILE A 468 -11.365 7.103 14.036 1.00 31.54 C ATOM 512 O ILE A 468 -10.508 6.983 13.167 1.00 14.43 O ATOM 513 CB ILE A 468 -10.783 9.153 15.422 1.00 3.03 C ATOM 514 CG1 ILE A 468 -11.859 9.854 14.570 1.00 35.00 C ATOM 515 CG2 ILE A 468 -9.384 9.505 14.923 1.00 32.31 C ATOM 516 CD1 ILE A 468 -11.789 11.366 14.628 1.00 22.34 C ATOM 0 H ILE A 468 -9.043 6.829 15.252 1.00 52.30 H new ATOM 0 HA ILE A 468 -11.809 7.375 16.118 1.00 70.24 H new ATOM 0 HB ILE A 468 -10.885 9.514 16.445 1.00 3.03 H new ATOM 0 HG12 ILE A 468 -11.755 9.533 13.533 1.00 35.00 H new ATOM 0 HG13 ILE A 468 -12.844 9.531 14.907 1.00 35.00 H new ATOM 0 HG21 ILE A 468 -9.262 10.588 14.917 1.00 32.31 H new ATOM 0 HG22 ILE A 468 -8.640 9.059 15.583 1.00 32.31 H new ATOM 0 HG23 ILE A 468 -9.251 9.120 13.912 1.00 32.31 H new ATOM 0 HD11 ILE A 468 -12.576 11.791 14.005 1.00 22.34 H new ATOM 0 HD12 ILE A 468 -11.923 11.697 15.658 1.00 22.34 H new ATOM 0 HD13 ILE A 468 -10.817 11.700 14.263 1.00 22.34 H new ATOM 528 N GLY A 469 -12.652 6.805 13.830 1.00 34.51 N ATOM 529 CA GLY A 469 -13.117 6.246 12.557 1.00 63.41 C ATOM 530 C GLY A 469 -12.919 7.172 11.356 1.00 42.12 C ATOM 531 O GLY A 469 -13.309 8.342 11.390 1.00 33.21 O ATOM 0 H GLY A 469 -13.387 6.941 14.525 1.00 34.51 H new ATOM 0 HA2 GLY A 469 -12.591 5.310 12.370 1.00 63.41 H new ATOM 0 HA3 GLY A 469 -14.176 6.004 12.644 1.00 63.41 H new ATOM 535 N VAL A 470 -12.332 6.643 10.281 1.00 3.20 N ATOM 536 CA VAL A 470 -12.043 7.435 9.077 1.00 44.22 C ATOM 537 C VAL A 470 -12.617 6.782 7.799 1.00 74.53 C ATOM 538 O VAL A 470 -12.184 5.702 7.390 1.00 53.21 O ATOM 539 CB VAL A 470 -10.512 7.634 8.897 1.00 54.14 C ATOM 540 CG1 VAL A 470 -10.207 8.486 7.664 1.00 31.22 C ATOM 541 CG2 VAL A 470 -9.897 8.256 10.150 1.00 71.31 C ATOM 0 H VAL A 470 -12.045 5.666 10.217 1.00 3.20 H new ATOM 0 HA VAL A 470 -12.527 8.401 9.220 1.00 44.22 H new ATOM 0 HB VAL A 470 -10.062 6.653 8.745 1.00 54.14 H new ATOM 0 HG11 VAL A 470 -9.129 8.608 7.564 1.00 31.22 H new ATOM 0 HG12 VAL A 470 -10.601 7.993 6.775 1.00 31.22 H new ATOM 0 HG13 VAL A 470 -10.674 9.465 7.773 1.00 31.22 H new ATOM 0 HG21 VAL A 470 -8.825 8.387 10.003 1.00 71.31 H new ATOM 0 HG22 VAL A 470 -10.358 9.225 10.339 1.00 71.31 H new ATOM 0 HG23 VAL A 470 -10.069 7.600 11.004 1.00 71.31 H new ATOM 551 N PRO A 471 -13.612 7.432 7.159 1.00 74.33 N ATOM 552 CA PRO A 471 -14.144 7.007 5.849 1.00 64.42 C ATOM 553 C PRO A 471 -13.296 7.522 4.666 1.00 35.32 C ATOM 554 O PRO A 471 -13.480 7.111 3.520 1.00 60.35 O ATOM 555 CB PRO A 471 -15.532 7.651 5.826 1.00 23.10 C ATOM 556 CG PRO A 471 -15.377 8.901 6.629 1.00 40.40 C ATOM 557 CD PRO A 471 -14.339 8.608 7.686 1.00 70.11 C ATOM 0 HA PRO A 471 -14.147 5.923 5.739 1.00 64.42 H new ATOM 0 HB2 PRO A 471 -15.851 7.871 4.807 1.00 23.10 H new ATOM 0 HB3 PRO A 471 -16.283 6.991 6.260 1.00 23.10 H new ATOM 0 HG2 PRO A 471 -15.063 9.731 5.997 1.00 40.40 H new ATOM 0 HG3 PRO A 471 -16.324 9.189 7.085 1.00 40.40 H new ATOM 0 HD2 PRO A 471 -13.671 9.456 7.835 1.00 70.11 H new ATOM 0 HD3 PRO A 471 -14.801 8.393 8.650 1.00 70.11 H new ATOM 565 N SER A 472 -12.369 8.422 4.969 1.00 72.50 N ATOM 566 CA SER A 472 -11.536 9.101 3.960 1.00 12.31 C ATOM 567 C SER A 472 -10.355 8.235 3.485 1.00 41.23 C ATOM 568 O SER A 472 -9.455 8.727 2.802 1.00 40.34 O ATOM 569 CB SER A 472 -11.004 10.426 4.525 1.00 65.23 C ATOM 570 OG SER A 472 -12.062 11.292 4.908 1.00 15.54 O ATOM 0 H SER A 472 -12.165 8.710 5.926 1.00 72.50 H new ATOM 0 HA SER A 472 -12.173 9.287 3.096 1.00 12.31 H new ATOM 0 HB2 SER A 472 -10.367 10.225 5.386 1.00 65.23 H new ATOM 0 HB3 SER A 472 -10.383 10.918 3.777 1.00 65.23 H new ATOM 0 HG SER A 472 -11.690 12.125 5.265 1.00 15.54 H new ATOM 576 N THR A 473 -10.358 6.947 3.823 1.00 2.21 N ATOM 577 CA THR A 473 -9.168 6.102 3.650 1.00 2.02 C ATOM 578 C THR A 473 -9.112 5.453 2.257 1.00 30.15 C ATOM 579 O THR A 473 -9.689 4.391 2.010 1.00 0.41 O ATOM 580 CB THR A 473 -9.125 4.978 4.719 1.00 44.24 C ATOM 581 OG1 THR A 473 -9.244 5.539 6.036 1.00 34.33 O ATOM 582 CG2 THR A 473 -7.833 4.168 4.625 1.00 75.33 C ATOM 0 H THR A 473 -11.165 6.463 4.217 1.00 2.21 H new ATOM 0 HA THR A 473 -8.308 6.761 3.765 1.00 2.02 H new ATOM 0 HB THR A 473 -9.965 4.310 4.529 1.00 44.24 H new ATOM 0 HG1 THR A 473 -10.186 5.540 6.307 1.00 34.33 H new ATOM 0 HG21 THR A 473 -7.835 3.389 5.388 1.00 75.33 H new ATOM 0 HG22 THR A 473 -7.762 3.710 3.639 1.00 75.33 H new ATOM 0 HG23 THR A 473 -6.979 4.826 4.781 1.00 75.33 H new ATOM 590 N LYS A 474 -8.416 6.127 1.345 1.00 61.15 N ATOM 591 CA LYS A 474 -8.190 5.627 -0.017 1.00 31.31 C ATOM 592 C LYS A 474 -6.712 5.246 -0.213 1.00 10.15 C ATOM 593 O LYS A 474 -5.821 6.072 -0.007 1.00 30.21 O ATOM 594 CB LYS A 474 -8.607 6.702 -1.030 1.00 71.23 C ATOM 595 CG LYS A 474 -10.083 7.083 -0.931 1.00 5.33 C ATOM 596 CD LYS A 474 -10.402 8.374 -1.685 1.00 72.21 C ATOM 597 CE LYS A 474 -11.880 8.736 -1.577 1.00 33.21 C ATOM 598 NZ LYS A 474 -12.174 10.097 -2.109 1.00 60.41 N ATOM 0 H LYS A 474 -7.991 7.036 1.525 1.00 61.15 H new ATOM 0 HA LYS A 474 -8.793 4.733 -0.175 1.00 31.31 H new ATOM 0 HB2 LYS A 474 -7.998 7.593 -0.876 1.00 71.23 H new ATOM 0 HB3 LYS A 474 -8.398 6.343 -2.038 1.00 71.23 H new ATOM 0 HG2 LYS A 474 -10.693 6.272 -1.330 1.00 5.33 H new ATOM 0 HG3 LYS A 474 -10.356 7.201 0.118 1.00 5.33 H new ATOM 0 HD2 LYS A 474 -9.797 9.188 -1.286 1.00 72.21 H new ATOM 0 HD3 LYS A 474 -10.130 8.260 -2.734 1.00 72.21 H new ATOM 0 HE2 LYS A 474 -12.472 8.001 -2.122 1.00 33.21 H new ATOM 0 HE3 LYS A 474 -12.189 8.683 -0.533 1.00 33.21 H new ATOM 0 HZ1 LYS A 474 -13.190 10.295 -2.013 1.00 60.41 H new ATOM 0 HZ2 LYS A 474 -11.631 10.804 -1.573 1.00 60.41 H new ATOM 0 HZ3 LYS A 474 -11.906 10.143 -3.113 1.00 60.41 H new ATOM 612 N VAL A 475 -6.461 3.999 -0.610 1.00 71.41 N ATOM 613 CA VAL A 475 -5.091 3.469 -0.731 1.00 23.31 C ATOM 614 C VAL A 475 -4.737 3.134 -2.188 1.00 24.23 C ATOM 615 O VAL A 475 -5.484 2.441 -2.874 1.00 13.40 O ATOM 616 CB VAL A 475 -4.922 2.196 0.140 1.00 35.02 C ATOM 617 CG1 VAL A 475 -3.505 1.629 0.027 1.00 75.05 C ATOM 618 CG2 VAL A 475 -5.275 2.497 1.597 1.00 10.23 C ATOM 0 H VAL A 475 -7.189 3.328 -0.856 1.00 71.41 H new ATOM 0 HA VAL A 475 -4.414 4.248 -0.381 1.00 23.31 H new ATOM 0 HB VAL A 475 -5.610 1.437 -0.233 1.00 35.02 H new ATOM 0 HG11 VAL A 475 -3.419 0.738 0.649 1.00 75.05 H new ATOM 0 HG12 VAL A 475 -3.299 1.368 -1.011 1.00 75.05 H new ATOM 0 HG13 VAL A 475 -2.786 2.376 0.363 1.00 75.05 H new ATOM 0 HG21 VAL A 475 -5.152 1.594 2.195 1.00 10.23 H new ATOM 0 HG22 VAL A 475 -4.616 3.277 1.977 1.00 10.23 H new ATOM 0 HG23 VAL A 475 -6.310 2.834 1.658 1.00 10.23 H new ATOM 628 N ARG A 476 -3.593 3.627 -2.659 1.00 44.14 N ATOM 629 CA ARG A 476 -3.135 3.356 -4.028 1.00 61.11 C ATOM 630 C ARG A 476 -1.774 2.640 -4.031 1.00 3.53 C ATOM 631 O ARG A 476 -0.972 2.806 -3.114 1.00 65.44 O ATOM 632 CB ARG A 476 -3.038 4.665 -4.828 1.00 22.54 C ATOM 633 CG ARG A 476 -4.343 5.457 -4.884 1.00 24.40 C ATOM 634 CD ARG A 476 -4.223 6.698 -5.766 1.00 23.15 C ATOM 635 NE ARG A 476 -5.419 7.538 -5.704 1.00 0.32 N ATOM 636 CZ ARG A 476 -5.403 8.844 -5.789 1.00 74.12 C ATOM 637 NH1 ARG A 476 -4.295 9.473 -6.035 1.00 24.43 N ATOM 638 NH2 ARG A 476 -6.500 9.510 -5.645 1.00 75.41 N ATOM 0 H ARG A 476 -2.963 4.217 -2.115 1.00 44.14 H new ATOM 0 HA ARG A 476 -3.867 2.700 -4.499 1.00 61.11 H new ATOM 0 HB2 ARG A 476 -2.263 5.292 -4.387 1.00 22.54 H new ATOM 0 HB3 ARG A 476 -2.721 4.435 -5.845 1.00 22.54 H new ATOM 0 HG2 ARG A 476 -5.139 4.817 -5.265 1.00 24.40 H new ATOM 0 HG3 ARG A 476 -4.629 5.756 -3.876 1.00 24.40 H new ATOM 0 HD2 ARG A 476 -3.356 7.280 -5.455 1.00 23.15 H new ATOM 0 HD3 ARG A 476 -4.049 6.393 -6.798 1.00 23.15 H new ATOM 0 HE ARG A 476 -6.322 7.077 -5.587 1.00 0.32 H new ATOM 0 HH11 ARG A 476 -3.429 8.949 -6.164 1.00 24.43 H new ATOM 0 HH12 ARG A 476 -4.290 10.491 -6.100 1.00 24.43 H new ATOM 0 HH21 ARG A 476 -7.375 9.018 -5.466 1.00 75.41 H new ATOM 0 HH22 ARG A 476 -6.491 10.528 -5.711 1.00 75.41 H new ATOM 652 N VAL A 477 -1.523 1.847 -5.074 1.00 51.30 N ATOM 653 CA VAL A 477 -0.259 1.108 -5.216 1.00 52.43 C ATOM 654 C VAL A 477 0.467 1.493 -6.516 1.00 75.53 C ATOM 655 O VAL A 477 -0.083 1.352 -7.611 1.00 42.23 O ATOM 656 CB VAL A 477 -0.500 -0.424 -5.203 1.00 3.12 C ATOM 657 CG1 VAL A 477 0.802 -1.187 -5.447 1.00 1.01 C ATOM 658 CG2 VAL A 477 -1.138 -0.856 -3.884 1.00 70.43 C ATOM 0 H VAL A 477 -2.180 1.697 -5.839 1.00 51.30 H new ATOM 0 HA VAL A 477 0.365 1.378 -4.364 1.00 52.43 H new ATOM 0 HB VAL A 477 -1.187 -0.664 -6.014 1.00 3.12 H new ATOM 0 HG11 VAL A 477 0.604 -2.259 -5.433 1.00 1.01 H new ATOM 0 HG12 VAL A 477 1.212 -0.907 -6.417 1.00 1.01 H new ATOM 0 HG13 VAL A 477 1.520 -0.940 -4.665 1.00 1.01 H new ATOM 0 HG21 VAL A 477 -1.299 -1.934 -3.894 1.00 70.43 H new ATOM 0 HG22 VAL A 477 -0.477 -0.596 -3.058 1.00 70.43 H new ATOM 0 HG23 VAL A 477 -2.094 -0.347 -3.758 1.00 70.43 H new ATOM 668 N TYR A 478 1.704 1.976 -6.387 1.00 50.24 N ATOM 669 CA TYR A 478 2.510 2.400 -7.542 1.00 53.44 C ATOM 670 C TYR A 478 3.768 1.529 -7.703 1.00 5.23 C ATOM 671 O TYR A 478 4.457 1.228 -6.730 1.00 23.11 O ATOM 672 CB TYR A 478 2.945 3.865 -7.378 1.00 63.32 C ATOM 673 CG TYR A 478 1.804 4.841 -7.147 1.00 3.33 C ATOM 674 CD1 TYR A 478 1.169 5.468 -8.215 1.00 32.35 C ATOM 675 CD2 TYR A 478 1.374 5.144 -5.859 1.00 45.21 C ATOM 676 CE1 TYR A 478 0.140 6.367 -8.004 1.00 42.13 C ATOM 677 CE2 TYR A 478 0.344 6.039 -5.641 1.00 70.33 C ATOM 678 CZ TYR A 478 -0.268 6.649 -6.715 1.00 74.14 C ATOM 679 OH TYR A 478 -1.286 7.549 -6.496 1.00 3.13 O ATOM 0 H TYR A 478 2.175 2.085 -5.489 1.00 50.24 H new ATOM 0 HA TYR A 478 1.887 2.289 -8.429 1.00 53.44 H new ATOM 0 HB2 TYR A 478 3.639 3.933 -6.540 1.00 63.32 H new ATOM 0 HB3 TYR A 478 3.492 4.170 -8.270 1.00 63.32 H new ATOM 0 HD1 TYR A 478 1.485 5.249 -9.224 1.00 32.35 H new ATOM 0 HD2 TYR A 478 1.854 4.671 -5.015 1.00 45.21 H new ATOM 0 HE1 TYR A 478 -0.342 6.846 -8.843 1.00 42.13 H new ATOM 0 HE2 TYR A 478 0.020 6.259 -4.635 1.00 70.33 H new ATOM 0 HH TYR A 478 -1.052 8.131 -5.743 1.00 3.13 H new ATOM 689 N ILE A 479 4.068 1.145 -8.940 1.00 71.31 N ATOM 690 CA ILE A 479 5.303 0.423 -9.268 1.00 11.35 C ATOM 691 C ILE A 479 6.227 1.316 -10.114 1.00 24.14 C ATOM 692 O ILE A 479 5.934 1.595 -11.278 1.00 52.21 O ATOM 693 CB ILE A 479 4.997 -0.885 -10.044 1.00 31.44 C ATOM 694 CG1 ILE A 479 3.975 -1.741 -9.270 1.00 61.12 C ATOM 695 CG2 ILE A 479 6.283 -1.673 -10.298 1.00 25.21 C ATOM 696 CD1 ILE A 479 3.582 -3.024 -9.975 1.00 5.11 C ATOM 0 H ILE A 479 3.467 1.323 -9.745 1.00 71.31 H new ATOM 0 HA ILE A 479 5.799 0.164 -8.333 1.00 11.35 H new ATOM 0 HB ILE A 479 4.564 -0.623 -11.009 1.00 31.44 H new ATOM 0 HG12 ILE A 479 4.390 -1.988 -8.293 1.00 61.12 H new ATOM 0 HG13 ILE A 479 3.079 -1.147 -9.094 1.00 61.12 H new ATOM 0 HG21 ILE A 479 6.048 -2.587 -10.843 1.00 25.21 H new ATOM 0 HG22 ILE A 479 6.971 -1.066 -10.886 1.00 25.21 H new ATOM 0 HG23 ILE A 479 6.748 -1.928 -9.346 1.00 25.21 H new ATOM 0 HD11 ILE A 479 2.861 -3.568 -9.365 1.00 5.11 H new ATOM 0 HD12 ILE A 479 3.135 -2.786 -10.940 1.00 5.11 H new ATOM 0 HD13 ILE A 479 4.467 -3.641 -10.127 1.00 5.11 H new ATOM 708 N ASN A 480 7.326 1.784 -9.518 1.00 43.41 N ATOM 709 CA ASN A 480 8.233 2.743 -10.177 1.00 43.01 C ATOM 710 C ASN A 480 7.474 4.001 -10.651 1.00 62.21 C ATOM 711 O ASN A 480 7.805 4.592 -11.683 1.00 63.44 O ATOM 712 CB ASN A 480 8.965 2.095 -11.367 1.00 35.35 C ATOM 713 CG ASN A 480 9.981 1.049 -10.951 1.00 1.01 C ATOM 714 OD1 ASN A 480 10.493 1.064 -9.835 1.00 34.13 O ATOM 715 ND2 ASN A 480 10.308 0.150 -11.858 1.00 41.34 N ATOM 0 H ASN A 480 7.615 1.517 -8.577 1.00 43.41 H new ATOM 0 HA ASN A 480 8.973 3.043 -9.435 1.00 43.01 H new ATOM 0 HB2 ASN A 480 8.231 1.635 -12.029 1.00 35.35 H new ATOM 0 HB3 ASN A 480 9.469 2.872 -11.941 1.00 35.35 H new ATOM 0 HD21 ASN A 480 11.006 -0.562 -11.642 1.00 41.34 H new ATOM 0 HD22 ASN A 480 9.863 0.166 -12.776 1.00 41.34 H new ATOM 722 N GLY A 481 6.465 4.409 -9.879 1.00 21.51 N ATOM 723 CA GLY A 481 5.666 5.584 -10.230 1.00 4.24 C ATOM 724 C GLY A 481 4.487 5.271 -11.153 1.00 3.11 C ATOM 725 O GLY A 481 3.738 6.169 -11.538 1.00 22.51 O ATOM 0 H GLY A 481 6.184 3.948 -9.014 1.00 21.51 H new ATOM 0 HA2 GLY A 481 5.289 6.043 -9.316 1.00 4.24 H new ATOM 0 HA3 GLY A 481 6.310 6.319 -10.713 1.00 4.24 H new ATOM 729 N THR A 482 4.319 4.001 -11.511 1.00 4.12 N ATOM 730 CA THR A 482 3.213 3.576 -12.388 1.00 60.15 C ATOM 731 C THR A 482 2.097 2.896 -11.581 1.00 20.04 C ATOM 732 O THR A 482 2.322 1.876 -10.938 1.00 4.44 O ATOM 733 CB THR A 482 3.714 2.604 -13.486 1.00 12.34 C ATOM 734 OG1 THR A 482 4.810 3.202 -14.200 1.00 35.33 O ATOM 735 CG2 THR A 482 2.599 2.250 -14.468 1.00 0.22 C ATOM 0 H THR A 482 4.931 3.242 -11.211 1.00 4.12 H new ATOM 0 HA THR A 482 2.815 4.474 -12.861 1.00 60.15 H new ATOM 0 HB THR A 482 4.043 1.686 -12.999 1.00 12.34 H new ATOM 0 HG1 THR A 482 5.125 2.584 -14.892 1.00 35.33 H new ATOM 0 HG21 THR A 482 2.984 1.567 -15.225 1.00 0.22 H new ATOM 0 HG22 THR A 482 1.780 1.772 -13.931 1.00 0.22 H new ATOM 0 HG23 THR A 482 2.236 3.158 -14.950 1.00 0.22 H new ATOM 743 N LEU A 483 0.894 3.464 -11.623 1.00 72.30 N ATOM 744 CA LEU A 483 -0.233 2.955 -10.830 1.00 3.44 C ATOM 745 C LEU A 483 -0.633 1.521 -11.231 1.00 74.13 C ATOM 746 O LEU A 483 -0.997 1.261 -12.381 1.00 12.13 O ATOM 747 CB LEU A 483 -1.443 3.889 -10.973 1.00 32.50 C ATOM 748 CG LEU A 483 -2.691 3.477 -10.171 1.00 74.51 C ATOM 749 CD1 LEU A 483 -2.408 3.496 -8.669 1.00 73.43 C ATOM 750 CD2 LEU A 483 -3.871 4.382 -10.514 1.00 31.51 C ATOM 0 H LEU A 483 0.670 4.277 -12.196 1.00 72.30 H new ATOM 0 HA LEU A 483 0.093 2.926 -9.790 1.00 3.44 H new ATOM 0 HB2 LEU A 483 -1.146 4.891 -10.663 1.00 32.50 H new ATOM 0 HB3 LEU A 483 -1.712 3.949 -12.027 1.00 32.50 H new ATOM 0 HG LEU A 483 -2.951 2.456 -10.448 1.00 74.51 H new ATOM 0 HD11 LEU A 483 -3.306 3.201 -8.126 1.00 73.43 H new ATOM 0 HD12 LEU A 483 -1.601 2.799 -8.442 1.00 73.43 H new ATOM 0 HD13 LEU A 483 -2.115 4.501 -8.367 1.00 73.43 H new ATOM 0 HD21 LEU A 483 -4.744 4.076 -9.938 1.00 31.51 H new ATOM 0 HD22 LEU A 483 -3.620 5.415 -10.271 1.00 31.51 H new ATOM 0 HD23 LEU A 483 -4.093 4.303 -11.578 1.00 31.51 H new ATOM 762 N TYR A 484 -0.564 0.597 -10.271 1.00 61.32 N ATOM 763 CA TYR A 484 -0.998 -0.788 -10.489 1.00 42.23 C ATOM 764 C TYR A 484 -2.495 -0.961 -10.175 1.00 63.40 C ATOM 765 O TYR A 484 -3.231 -1.585 -10.941 1.00 65.33 O ATOM 766 CB TYR A 484 -0.163 -1.742 -9.611 1.00 65.44 C ATOM 767 CG TYR A 484 -0.669 -3.178 -9.591 1.00 73.42 C ATOM 768 CD1 TYR A 484 -0.310 -4.087 -10.583 1.00 3.14 C ATOM 769 CD2 TYR A 484 -1.516 -3.621 -8.578 1.00 35.20 C ATOM 770 CE1 TYR A 484 -0.779 -5.388 -10.564 1.00 75.42 C ATOM 771 CE2 TYR A 484 -1.989 -4.918 -8.556 1.00 42.43 C ATOM 772 CZ TYR A 484 -1.617 -5.797 -9.550 1.00 44.33 C ATOM 773 OH TYR A 484 -2.091 -7.090 -9.528 1.00 14.32 O ATOM 0 H TYR A 484 -0.211 0.782 -9.332 1.00 61.32 H new ATOM 0 HA TYR A 484 -0.844 -1.031 -11.540 1.00 42.23 H new ATOM 0 HB2 TYR A 484 0.867 -1.737 -9.967 1.00 65.44 H new ATOM 0 HB3 TYR A 484 -0.149 -1.360 -8.590 1.00 65.44 H new ATOM 0 HD1 TYR A 484 0.346 -3.771 -11.381 1.00 3.14 H new ATOM 0 HD2 TYR A 484 -1.808 -2.937 -7.795 1.00 35.20 H new ATOM 0 HE1 TYR A 484 -0.489 -6.080 -11.341 1.00 75.42 H new ATOM 0 HE2 TYR A 484 -2.647 -5.242 -7.764 1.00 42.43 H new ATOM 0 HH TYR A 484 -1.345 -7.714 -9.652 1.00 14.32 H new ATOM 783 N LYS A 485 -2.941 -0.405 -9.049 1.00 2.20 N ATOM 784 CA LYS A 485 -4.346 -0.506 -8.633 1.00 72.45 C ATOM 785 C LYS A 485 -4.628 0.388 -7.411 1.00 13.52 C ATOM 786 O LYS A 485 -3.700 0.819 -6.722 1.00 34.13 O ATOM 787 CB LYS A 485 -4.704 -1.979 -8.337 1.00 14.40 C ATOM 788 CG LYS A 485 -6.158 -2.207 -7.921 1.00 64.44 C ATOM 789 CD LYS A 485 -6.621 -3.639 -8.186 1.00 34.52 C ATOM 790 CE LYS A 485 -5.696 -4.685 -7.571 1.00 14.32 C ATOM 791 NZ LYS A 485 -6.224 -6.061 -7.759 1.00 32.12 N ATOM 0 H LYS A 485 -2.351 0.122 -8.405 1.00 2.20 H new ATOM 0 HA LYS A 485 -4.976 -0.152 -9.449 1.00 72.45 H new ATOM 0 HB2 LYS A 485 -4.496 -2.576 -9.225 1.00 14.40 H new ATOM 0 HB3 LYS A 485 -4.051 -2.346 -7.545 1.00 14.40 H new ATOM 0 HG2 LYS A 485 -6.269 -1.982 -6.860 1.00 64.44 H new ATOM 0 HG3 LYS A 485 -6.801 -1.514 -8.463 1.00 64.44 H new ATOM 0 HD2 LYS A 485 -7.626 -3.770 -7.786 1.00 34.52 H new ATOM 0 HD3 LYS A 485 -6.682 -3.803 -9.262 1.00 34.52 H new ATOM 0 HE2 LYS A 485 -4.708 -4.609 -8.024 1.00 14.32 H new ATOM 0 HE3 LYS A 485 -5.575 -4.484 -6.507 1.00 14.32 H new ATOM 0 HZ1 LYS A 485 -5.570 -6.746 -7.329 1.00 32.12 H new ATOM 0 HZ2 LYS A 485 -7.156 -6.140 -7.305 1.00 32.12 H new ATOM 0 HZ3 LYS A 485 -6.316 -6.262 -8.775 1.00 32.12 H new ATOM 805 N ASN A 486 -5.906 0.677 -7.154 1.00 15.43 N ATOM 806 CA ASN A 486 -6.299 1.502 -6.004 1.00 52.12 C ATOM 807 C ASN A 486 -7.570 0.962 -5.323 1.00 60.41 C ATOM 808 O ASN A 486 -8.417 0.338 -5.965 1.00 32.22 O ATOM 809 CB ASN A 486 -6.505 2.957 -6.448 1.00 22.31 C ATOM 810 CG ASN A 486 -7.581 3.104 -7.510 1.00 12.20 C ATOM 811 OD1 ASN A 486 -8.751 3.304 -7.204 1.00 23.25 O ATOM 812 ND2 ASN A 486 -7.196 3.019 -8.769 1.00 62.44 N ATOM 0 H ASN A 486 -6.687 0.353 -7.725 1.00 15.43 H new ATOM 0 HA ASN A 486 -5.493 1.461 -5.271 1.00 52.12 H new ATOM 0 HB2 ASN A 486 -6.772 3.562 -5.581 1.00 22.31 H new ATOM 0 HB3 ASN A 486 -5.565 3.351 -6.834 1.00 22.31 H new ATOM 0 HD21 ASN A 486 -7.880 3.120 -9.519 1.00 62.44 H new ATOM 0 HD22 ASN A 486 -6.215 2.852 -8.992 1.00 62.44 H new ATOM 819 N TRP A 487 -7.687 1.204 -4.017 1.00 73.15 N ATOM 820 CA TRP A 487 -8.838 0.752 -3.222 1.00 32.32 C ATOM 821 C TRP A 487 -9.418 1.896 -2.371 1.00 3.41 C ATOM 822 O TRP A 487 -8.693 2.800 -1.945 1.00 54.52 O ATOM 823 CB TRP A 487 -8.435 -0.398 -2.286 1.00 25.41 C ATOM 824 CG TRP A 487 -7.982 -1.648 -2.983 1.00 12.21 C ATOM 825 CD1 TRP A 487 -8.774 -2.605 -3.548 1.00 13.10 C ATOM 826 CD2 TRP A 487 -6.629 -2.084 -3.171 1.00 44.15 C ATOM 827 NE1 TRP A 487 -7.998 -3.610 -4.068 1.00 74.24 N ATOM 828 CE2 TRP A 487 -6.680 -3.312 -3.852 1.00 21.25 C ATOM 829 CE3 TRP A 487 -5.381 -1.554 -2.828 1.00 4.41 C ATOM 830 CZ2 TRP A 487 -5.533 -4.020 -4.195 1.00 63.45 C ATOM 831 CZ3 TRP A 487 -4.243 -2.258 -3.173 1.00 64.41 C ATOM 832 CH2 TRP A 487 -4.326 -3.480 -3.851 1.00 22.42 C ATOM 0 H TRP A 487 -6.990 1.718 -3.478 1.00 73.15 H new ATOM 0 HA TRP A 487 -9.596 0.409 -3.926 1.00 32.32 H new ATOM 0 HB2 TRP A 487 -7.634 -0.052 -1.633 1.00 25.41 H new ATOM 0 HB3 TRP A 487 -9.284 -0.642 -1.647 1.00 25.41 H new ATOM 0 HD1 TRP A 487 -9.853 -2.576 -3.581 1.00 13.10 H new ATOM 0 HE1 TRP A 487 -8.347 -4.444 -4.539 1.00 74.24 H new ATOM 0 HE3 TRP A 487 -5.308 -0.613 -2.304 1.00 4.41 H new ATOM 0 HZ2 TRP A 487 -5.594 -4.964 -4.715 1.00 63.45 H new ATOM 0 HZ3 TRP A 487 -3.273 -1.859 -2.915 1.00 64.41 H new ATOM 0 HH2 TRP A 487 -3.418 -4.006 -4.107 1.00 22.42 H new ATOM 843 N THR A 488 -10.725 1.854 -2.125 1.00 31.32 N ATOM 844 CA THR A 488 -11.380 2.804 -1.211 1.00 54.35 C ATOM 845 C THR A 488 -12.053 2.055 -0.051 1.00 14.12 C ATOM 846 O THR A 488 -12.958 1.246 -0.267 1.00 20.45 O ATOM 847 CB THR A 488 -12.446 3.658 -1.946 1.00 45.04 C ATOM 848 OG1 THR A 488 -11.849 4.341 -3.064 1.00 60.41 O ATOM 849 CG2 THR A 488 -13.079 4.681 -1.007 1.00 71.14 C ATOM 0 H THR A 488 -11.358 1.173 -2.544 1.00 31.32 H new ATOM 0 HA THR A 488 -10.606 3.467 -0.825 1.00 54.35 H new ATOM 0 HB THR A 488 -13.226 2.984 -2.301 1.00 45.04 H new ATOM 0 HG1 THR A 488 -12.530 4.876 -3.522 1.00 60.41 H new ATOM 0 HG21 THR A 488 -13.822 5.264 -1.552 1.00 71.14 H new ATOM 0 HG22 THR A 488 -13.561 4.164 -0.177 1.00 71.14 H new ATOM 0 HG23 THR A 488 -12.307 5.347 -0.621 1.00 71.14 H new ATOM 857 N VAL A 489 -11.619 2.332 1.179 1.00 44.24 N ATOM 858 CA VAL A 489 -12.132 1.626 2.364 1.00 3.43 C ATOM 859 C VAL A 489 -12.335 2.580 3.550 1.00 1.50 C ATOM 860 O VAL A 489 -11.969 3.754 3.491 1.00 11.24 O ATOM 861 CB VAL A 489 -11.180 0.477 2.807 1.00 21.14 C ATOM 862 CG1 VAL A 489 -11.072 -0.602 1.729 1.00 13.45 C ATOM 863 CG2 VAL A 489 -9.796 1.024 3.165 1.00 55.25 C ATOM 0 H VAL A 489 -10.914 3.039 1.386 1.00 44.24 H new ATOM 0 HA VAL A 489 -13.094 1.205 2.072 1.00 3.43 H new ATOM 0 HB VAL A 489 -11.608 0.017 3.698 1.00 21.14 H new ATOM 0 HG11 VAL A 489 -10.400 -1.390 2.069 1.00 13.45 H new ATOM 0 HG12 VAL A 489 -12.058 -1.024 1.537 1.00 13.45 H new ATOM 0 HG13 VAL A 489 -10.680 -0.162 0.812 1.00 13.45 H new ATOM 0 HG21 VAL A 489 -9.148 0.203 3.472 1.00 55.25 H new ATOM 0 HG22 VAL A 489 -9.365 1.521 2.296 1.00 55.25 H new ATOM 0 HG23 VAL A 489 -9.888 1.739 3.983 1.00 55.25 H new ATOM 873 N SER A 490 -12.931 2.067 4.622 1.00 45.04 N ATOM 874 CA SER A 490 -13.100 2.837 5.863 1.00 42.44 C ATOM 875 C SER A 490 -12.454 2.100 7.038 1.00 73.34 C ATOM 876 O SER A 490 -12.656 0.897 7.212 1.00 51.23 O ATOM 877 CB SER A 490 -14.590 3.072 6.161 1.00 42.15 C ATOM 878 OG SER A 490 -15.263 1.854 6.457 1.00 23.42 O ATOM 0 H SER A 490 -13.308 1.120 4.662 1.00 45.04 H new ATOM 0 HA SER A 490 -12.611 3.802 5.730 1.00 42.44 H new ATOM 0 HB2 SER A 490 -14.690 3.757 7.003 1.00 42.15 H new ATOM 0 HB3 SER A 490 -15.062 3.550 5.303 1.00 42.15 H new ATOM 0 HG SER A 490 -16.207 2.039 6.643 1.00 23.42 H new ATOM 884 N LEU A 491 -11.682 2.822 7.845 1.00 54.42 N ATOM 885 CA LEU A 491 -11.004 2.225 9.001 1.00 73.13 C ATOM 886 C LEU A 491 -11.470 2.869 10.312 1.00 0.33 C ATOM 887 O LEU A 491 -11.295 4.071 10.520 1.00 61.22 O ATOM 888 CB LEU A 491 -9.484 2.383 8.853 1.00 63.41 C ATOM 889 CG LEU A 491 -8.860 1.633 7.665 1.00 12.53 C ATOM 890 CD1 LEU A 491 -7.384 1.980 7.523 1.00 20.53 C ATOM 891 CD2 LEU A 491 -9.042 0.126 7.826 1.00 35.22 C ATOM 0 H LEU A 491 -11.508 3.820 7.724 1.00 54.42 H new ATOM 0 HA LEU A 491 -11.259 1.166 9.034 1.00 73.13 H new ATOM 0 HB2 LEU A 491 -9.253 3.444 8.754 1.00 63.41 H new ATOM 0 HB3 LEU A 491 -9.008 2.037 9.771 1.00 63.41 H new ATOM 0 HG LEU A 491 -9.374 1.947 6.757 1.00 12.53 H new ATOM 0 HD11 LEU A 491 -6.963 1.438 6.676 1.00 20.53 H new ATOM 0 HD12 LEU A 491 -7.277 3.052 7.358 1.00 20.53 H new ATOM 0 HD13 LEU A 491 -6.855 1.699 8.433 1.00 20.53 H new ATOM 0 HD21 LEU A 491 -8.594 -0.388 6.975 1.00 35.22 H new ATOM 0 HD22 LEU A 491 -8.557 -0.203 8.745 1.00 35.22 H new ATOM 0 HD23 LEU A 491 -10.105 -0.109 7.873 1.00 35.22 H new ATOM 903 N GLY A 492 -12.041 2.059 11.197 1.00 31.22 N ATOM 904 CA GLY A 492 -12.509 2.557 12.483 1.00 73.05 C ATOM 905 C GLY A 492 -11.386 2.733 13.503 1.00 60.22 C ATOM 906 O GLY A 492 -10.203 2.608 13.169 1.00 24.43 O ATOM 0 H GLY A 492 -12.190 1.061 11.048 1.00 31.22 H new ATOM 0 HA2 GLY A 492 -13.010 3.514 12.335 1.00 73.05 H new ATOM 0 HA3 GLY A 492 -13.251 1.867 12.884 1.00 73.05 H new ATOM 910 N PRO A 493 -11.726 3.020 14.771 1.00 5.54 N ATOM 911 CA PRO A 493 -10.730 3.194 15.838 1.00 42.23 C ATOM 912 C PRO A 493 -9.847 1.950 16.030 1.00 42.12 C ATOM 913 O PRO A 493 -10.302 0.928 16.547 1.00 5.42 O ATOM 914 CB PRO A 493 -11.578 3.465 17.095 1.00 13.45 C ATOM 915 CG PRO A 493 -12.950 2.984 16.750 1.00 51.34 C ATOM 916 CD PRO A 493 -13.100 3.195 15.267 1.00 63.21 C ATOM 0 HA PRO A 493 -10.031 3.998 15.608 1.00 42.23 H new ATOM 0 HB2 PRO A 493 -11.180 2.935 17.961 1.00 13.45 H new ATOM 0 HB3 PRO A 493 -11.584 4.526 17.346 1.00 13.45 H new ATOM 0 HG2 PRO A 493 -13.072 1.932 17.009 1.00 51.34 H new ATOM 0 HG3 PRO A 493 -13.709 3.538 17.302 1.00 51.34 H new ATOM 0 HD2 PRO A 493 -13.785 2.473 14.823 1.00 63.21 H new ATOM 0 HD3 PRO A 493 -13.490 4.187 15.037 1.00 63.21 H new ATOM 924 N LYS A 494 -8.589 2.046 15.584 1.00 14.01 N ATOM 925 CA LYS A 494 -7.605 0.960 15.731 1.00 33.04 C ATOM 926 C LYS A 494 -7.941 -0.246 14.830 1.00 62.53 C ATOM 927 O LYS A 494 -7.496 -1.367 15.081 1.00 4.35 O ATOM 928 CB LYS A 494 -7.500 0.527 17.205 1.00 21.03 C ATOM 929 CG LYS A 494 -7.167 1.674 18.162 1.00 61.51 C ATOM 930 CD LYS A 494 -5.783 2.263 17.894 1.00 24.42 C ATOM 931 CE LYS A 494 -5.457 3.402 18.856 1.00 1.52 C ATOM 932 NZ LYS A 494 -5.539 2.975 20.278 1.00 23.34 N ATOM 0 H LYS A 494 -8.223 2.873 15.113 1.00 14.01 H new ATOM 0 HA LYS A 494 -6.638 1.345 15.408 1.00 33.04 H new ATOM 0 HB2 LYS A 494 -8.444 0.074 17.509 1.00 21.03 H new ATOM 0 HB3 LYS A 494 -6.734 -0.243 17.294 1.00 21.03 H new ATOM 0 HG2 LYS A 494 -7.919 2.457 18.064 1.00 61.51 H new ATOM 0 HG3 LYS A 494 -7.214 1.313 19.190 1.00 61.51 H new ATOM 0 HD2 LYS A 494 -5.030 1.480 17.989 1.00 24.42 H new ATOM 0 HD3 LYS A 494 -5.736 2.629 16.868 1.00 24.42 H new ATOM 0 HE2 LYS A 494 -4.455 3.776 18.648 1.00 1.52 H new ATOM 0 HE3 LYS A 494 -6.147 4.228 18.686 1.00 1.52 H new ATOM 0 HZ1 LYS A 494 -5.103 3.700 20.884 1.00 23.34 H new ATOM 0 HZ2 LYS A 494 -6.536 2.853 20.547 1.00 23.34 H new ATOM 0 HZ3 LYS A 494 -5.035 2.074 20.399 1.00 23.34 H new ATOM 946 N GLU A 495 -8.696 0.002 13.758 1.00 53.44 N ATOM 947 CA GLU A 495 -9.141 -1.064 12.846 1.00 53.22 C ATOM 948 C GLU A 495 -8.127 -1.317 11.714 1.00 23.43 C ATOM 949 O GLU A 495 -7.423 -0.403 11.284 1.00 30.04 O ATOM 950 CB GLU A 495 -10.502 -0.686 12.245 1.00 51.11 C ATOM 951 CG GLU A 495 -11.111 -1.757 11.343 1.00 65.34 C ATOM 952 CD GLU A 495 -11.419 -3.048 12.085 1.00 51.31 C ATOM 953 OE1 GLU A 495 -12.407 -3.076 12.851 1.00 33.35 O ATOM 954 OE2 GLU A 495 -10.679 -4.038 11.910 1.00 63.14 O ATOM 0 H GLU A 495 -9.015 0.935 13.496 1.00 53.44 H new ATOM 0 HA GLU A 495 -9.225 -1.984 13.424 1.00 53.22 H new ATOM 0 HB2 GLU A 495 -11.198 -0.473 13.057 1.00 51.11 H new ATOM 0 HB3 GLU A 495 -10.390 0.234 11.672 1.00 51.11 H new ATOM 0 HG2 GLU A 495 -12.028 -1.372 10.898 1.00 65.34 H new ATOM 0 HG3 GLU A 495 -10.424 -1.969 10.524 1.00 65.34 H new ATOM 961 N GLU A 496 -8.070 -2.563 11.231 1.00 5.51 N ATOM 962 CA GLU A 496 -7.174 -2.939 10.128 1.00 53.24 C ATOM 963 C GLU A 496 -7.898 -3.813 9.086 1.00 71.23 C ATOM 964 O GLU A 496 -8.739 -4.642 9.434 1.00 44.13 O ATOM 965 CB GLU A 496 -5.955 -3.711 10.660 1.00 72.12 C ATOM 966 CG GLU A 496 -4.920 -4.040 9.581 1.00 62.11 C ATOM 967 CD GLU A 496 -3.940 -5.122 10.001 1.00 61.35 C ATOM 968 OE1 GLU A 496 -3.127 -4.881 10.914 1.00 63.52 O ATOM 969 OE2 GLU A 496 -3.982 -6.228 9.421 1.00 64.22 O ATOM 0 H GLU A 496 -8.636 -3.333 11.588 1.00 5.51 H new ATOM 0 HA GLU A 496 -6.848 -2.015 9.651 1.00 53.24 H new ATOM 0 HB2 GLU A 496 -5.477 -3.123 11.443 1.00 72.12 H new ATOM 0 HB3 GLU A 496 -6.295 -4.639 11.120 1.00 72.12 H new ATOM 0 HG2 GLU A 496 -5.437 -4.359 8.676 1.00 62.11 H new ATOM 0 HG3 GLU A 496 -4.366 -3.135 9.330 1.00 62.11 H new ATOM 976 N LYS A 497 -7.562 -3.625 7.810 1.00 0.02 N ATOM 977 CA LYS A 497 -8.065 -4.484 6.727 1.00 55.23 C ATOM 978 C LYS A 497 -6.885 -5.025 5.899 1.00 24.30 C ATOM 979 O LYS A 497 -5.979 -4.270 5.535 1.00 34.13 O ATOM 980 CB LYS A 497 -9.026 -3.704 5.808 1.00 52.42 C ATOM 981 CG LYS A 497 -10.141 -2.953 6.537 1.00 70.40 C ATOM 982 CD LYS A 497 -11.068 -3.881 7.320 1.00 53.23 C ATOM 983 CE LYS A 497 -11.816 -4.854 6.417 1.00 30.55 C ATOM 984 NZ LYS A 497 -12.755 -5.709 7.191 1.00 54.25 N ATOM 0 H LYS A 497 -6.939 -2.881 7.495 1.00 0.02 H new ATOM 0 HA LYS A 497 -8.611 -5.315 7.174 1.00 55.23 H new ATOM 0 HB2 LYS A 497 -8.447 -2.989 5.223 1.00 52.42 H new ATOM 0 HB3 LYS A 497 -9.478 -4.401 5.102 1.00 52.42 H new ATOM 0 HG2 LYS A 497 -9.698 -2.229 7.221 1.00 70.40 H new ATOM 0 HG3 LYS A 497 -10.727 -2.389 5.811 1.00 70.40 H new ATOM 0 HD2 LYS A 497 -10.484 -4.442 8.049 1.00 53.23 H new ATOM 0 HD3 LYS A 497 -11.787 -3.283 7.880 1.00 53.23 H new ATOM 0 HE2 LYS A 497 -12.369 -4.297 5.661 1.00 30.55 H new ATOM 0 HE3 LYS A 497 -11.101 -5.484 5.889 1.00 30.55 H new ATOM 0 HZ1 LYS A 497 -13.246 -6.359 6.544 1.00 54.25 H new ATOM 0 HZ2 LYS A 497 -12.223 -6.259 7.896 1.00 54.25 H new ATOM 0 HZ3 LYS A 497 -13.453 -5.109 7.675 1.00 54.25 H new ATOM 998 N VAL A 498 -6.883 -6.325 5.604 1.00 72.35 N ATOM 999 CA VAL A 498 -5.792 -6.927 4.823 1.00 21.31 C ATOM 1000 C VAL A 498 -6.197 -7.138 3.354 1.00 62.40 C ATOM 1001 O VAL A 498 -7.057 -7.967 3.043 1.00 33.45 O ATOM 1002 CB VAL A 498 -5.341 -8.282 5.426 1.00 2.50 C ATOM 1003 CG1 VAL A 498 -4.119 -8.831 4.688 1.00 73.54 C ATOM 1004 CG2 VAL A 498 -5.054 -8.139 6.920 1.00 22.03 C ATOM 0 H VAL A 498 -7.613 -6.978 5.888 1.00 72.35 H new ATOM 0 HA VAL A 498 -4.959 -6.225 4.864 1.00 21.31 H new ATOM 0 HB VAL A 498 -6.156 -8.995 5.302 1.00 2.50 H new ATOM 0 HG11 VAL A 498 -3.823 -9.782 5.131 1.00 73.54 H new ATOM 0 HG12 VAL A 498 -4.366 -8.981 3.637 1.00 73.54 H new ATOM 0 HG13 VAL A 498 -3.296 -8.121 4.769 1.00 73.54 H new ATOM 0 HG21 VAL A 498 -4.739 -9.101 7.324 1.00 22.03 H new ATOM 0 HG22 VAL A 498 -4.262 -7.406 7.070 1.00 22.03 H new ATOM 0 HG23 VAL A 498 -5.956 -7.808 7.434 1.00 22.03 H new ATOM 1014 N LEU A 499 -5.561 -6.395 2.455 1.00 34.51 N ATOM 1015 CA LEU A 499 -5.830 -6.490 1.015 1.00 41.42 C ATOM 1016 C LEU A 499 -4.759 -7.339 0.311 1.00 1.13 C ATOM 1017 O LEU A 499 -3.603 -7.359 0.728 1.00 43.14 O ATOM 1018 CB LEU A 499 -5.870 -5.081 0.398 1.00 61.34 C ATOM 1019 CG LEU A 499 -6.868 -4.107 1.052 1.00 70.55 C ATOM 1020 CD1 LEU A 499 -6.717 -2.701 0.475 1.00 20.43 C ATOM 1021 CD2 LEU A 499 -8.302 -4.606 0.883 1.00 22.23 C ATOM 0 H LEU A 499 -4.845 -5.710 2.698 1.00 34.51 H new ATOM 0 HA LEU A 499 -6.797 -6.975 0.877 1.00 41.42 H new ATOM 0 HB2 LEU A 499 -4.872 -4.647 0.457 1.00 61.34 H new ATOM 0 HB3 LEU A 499 -6.116 -5.172 -0.660 1.00 61.34 H new ATOM 0 HG LEU A 499 -6.644 -4.062 2.118 1.00 70.55 H new ATOM 0 HD11 LEU A 499 -7.433 -2.033 0.953 1.00 20.43 H new ATOM 0 HD12 LEU A 499 -5.705 -2.340 0.658 1.00 20.43 H new ATOM 0 HD13 LEU A 499 -6.905 -2.726 -0.598 1.00 20.43 H new ATOM 0 HD21 LEU A 499 -8.990 -3.903 1.352 1.00 22.23 H new ATOM 0 HD22 LEU A 499 -8.536 -4.688 -0.178 1.00 22.23 H new ATOM 0 HD23 LEU A 499 -8.405 -5.583 1.354 1.00 22.23 H new ATOM 1033 N THR A 500 -5.147 -8.051 -0.741 1.00 35.42 N ATOM 1034 CA THR A 500 -4.198 -8.866 -1.525 1.00 52.51 C ATOM 1035 C THR A 500 -4.239 -8.518 -3.012 1.00 4.33 C ATOM 1036 O THR A 500 -5.274 -8.106 -3.538 1.00 20.52 O ATOM 1037 CB THR A 500 -4.469 -10.386 -1.382 1.00 24.23 C ATOM 1038 OG1 THR A 500 -5.877 -10.662 -1.502 1.00 72.12 O ATOM 1039 CG2 THR A 500 -3.943 -10.926 -0.060 1.00 54.24 C ATOM 0 H THR A 500 -6.109 -8.087 -1.078 1.00 35.42 H new ATOM 0 HA THR A 500 -3.214 -8.633 -1.117 1.00 52.51 H new ATOM 0 HB THR A 500 -3.937 -10.891 -2.188 1.00 24.23 H new ATOM 0 HG1 THR A 500 -6.030 -11.626 -1.411 1.00 72.12 H new ATOM 0 HG21 THR A 500 -4.151 -11.994 0.005 1.00 54.24 H new ATOM 0 HG22 THR A 500 -2.867 -10.761 -0.002 1.00 54.24 H new ATOM 0 HG23 THR A 500 -4.434 -10.410 0.765 1.00 54.24 H new ATOM 1047 N PHE A 501 -3.104 -8.678 -3.684 1.00 63.31 N ATOM 1048 CA PHE A 501 -3.045 -8.537 -5.140 1.00 32.10 C ATOM 1049 C PHE A 501 -1.939 -9.417 -5.737 1.00 63.25 C ATOM 1050 O PHE A 501 -0.901 -9.646 -5.112 1.00 70.42 O ATOM 1051 CB PHE A 501 -2.843 -7.066 -5.547 1.00 65.41 C ATOM 1052 CG PHE A 501 -1.525 -6.457 -5.115 1.00 4.11 C ATOM 1053 CD1 PHE A 501 -1.389 -5.873 -3.862 1.00 51.32 C ATOM 1054 CD2 PHE A 501 -0.428 -6.452 -5.969 1.00 21.22 C ATOM 1055 CE1 PHE A 501 -0.192 -5.298 -3.475 1.00 3.32 C ATOM 1056 CE2 PHE A 501 0.770 -5.881 -5.584 1.00 65.11 C ATOM 1057 CZ PHE A 501 0.888 -5.303 -4.336 1.00 41.34 C ATOM 0 H PHE A 501 -2.211 -8.905 -3.247 1.00 63.31 H new ATOM 0 HA PHE A 501 -4.001 -8.873 -5.542 1.00 32.10 H new ATOM 0 HB2 PHE A 501 -2.923 -6.991 -6.631 1.00 65.41 H new ATOM 0 HB3 PHE A 501 -3.655 -6.473 -5.126 1.00 65.41 H new ATOM 0 HD1 PHE A 501 -2.228 -5.868 -3.182 1.00 51.32 H new ATOM 0 HD2 PHE A 501 -0.513 -6.901 -6.948 1.00 21.22 H new ATOM 0 HE1 PHE A 501 -0.102 -4.845 -2.499 1.00 3.32 H new ATOM 0 HE2 PHE A 501 1.613 -5.887 -6.259 1.00 65.11 H new ATOM 0 HZ PHE A 501 1.823 -4.855 -4.033 1.00 41.34 H new ATOM 1067 N SER A 502 -2.170 -9.902 -6.953 1.00 42.10 N ATOM 1068 CA SER A 502 -1.210 -10.768 -7.646 1.00 35.50 C ATOM 1069 C SER A 502 -0.592 -10.051 -8.853 1.00 12.02 C ATOM 1070 O SER A 502 -1.294 -9.645 -9.780 1.00 41.40 O ATOM 1071 CB SER A 502 -1.904 -12.059 -8.101 1.00 33.30 C ATOM 1072 OG SER A 502 -2.965 -11.787 -9.003 1.00 12.35 O ATOM 0 H SER A 502 -3.019 -9.711 -7.486 1.00 42.10 H new ATOM 0 HA SER A 502 -0.408 -11.015 -6.950 1.00 35.50 H new ATOM 0 HB2 SER A 502 -1.177 -12.715 -8.579 1.00 33.30 H new ATOM 0 HB3 SER A 502 -2.291 -12.591 -7.232 1.00 33.30 H new ATOM 0 HG SER A 502 -2.774 -10.960 -9.493 1.00 12.35 H new ATOM 1078 N TRP A 503 0.723 -9.882 -8.834 1.00 30.24 N ATOM 1079 CA TRP A 503 1.424 -9.168 -9.905 1.00 70.33 C ATOM 1080 C TRP A 503 2.234 -10.129 -10.792 1.00 44.51 C ATOM 1081 O TRP A 503 2.892 -11.047 -10.298 1.00 63.11 O ATOM 1082 CB TRP A 503 2.336 -8.090 -9.296 1.00 70.22 C ATOM 1083 CG TRP A 503 3.088 -7.274 -10.311 1.00 53.50 C ATOM 1084 CD1 TRP A 503 2.573 -6.654 -11.414 1.00 70.51 C ATOM 1085 CD2 TRP A 503 4.488 -6.969 -10.298 1.00 33.34 C ATOM 1086 NE1 TRP A 503 3.569 -5.999 -12.094 1.00 11.41 N ATOM 1087 CE2 TRP A 503 4.752 -6.173 -11.428 1.00 3.52 C ATOM 1088 CE3 TRP A 503 5.543 -7.296 -9.442 1.00 45.41 C ATOM 1089 CZ2 TRP A 503 6.026 -5.698 -11.723 1.00 2.24 C ATOM 1090 CZ3 TRP A 503 6.809 -6.823 -9.734 1.00 24.30 C ATOM 1091 CH2 TRP A 503 7.042 -6.033 -10.868 1.00 45.23 C ATOM 0 H TRP A 503 1.330 -10.228 -8.091 1.00 30.24 H new ATOM 0 HA TRP A 503 0.680 -8.691 -10.543 1.00 70.33 H new ATOM 0 HB2 TRP A 503 1.731 -7.421 -8.685 1.00 70.22 H new ATOM 0 HB3 TRP A 503 3.052 -8.570 -8.629 1.00 70.22 H new ATOM 0 HD1 TRP A 503 1.534 -6.676 -11.708 1.00 70.51 H new ATOM 0 HE1 TRP A 503 3.447 -5.468 -12.956 1.00 11.41 H new ATOM 0 HE3 TRP A 503 5.373 -7.907 -8.568 1.00 45.41 H new ATOM 0 HZ2 TRP A 503 6.207 -5.087 -12.595 1.00 2.24 H new ATOM 0 HZ3 TRP A 503 7.632 -7.066 -9.078 1.00 24.30 H new ATOM 0 HH2 TRP A 503 8.043 -5.681 -11.072 1.00 45.23 H new ATOM 1102 N THR A 504 2.157 -9.920 -12.108 1.00 52.45 N ATOM 1103 CA THR A 504 2.927 -10.716 -13.077 1.00 3.13 C ATOM 1104 C THR A 504 3.825 -9.808 -13.935 1.00 72.53 C ATOM 1105 O THR A 504 3.352 -9.158 -14.871 1.00 51.23 O ATOM 1106 CB THR A 504 1.996 -11.544 -14.006 1.00 62.15 C ATOM 1107 OG1 THR A 504 1.220 -12.470 -13.229 1.00 62.54 O ATOM 1108 CG2 THR A 504 2.794 -12.311 -15.059 1.00 12.43 C ATOM 0 H THR A 504 1.568 -9.204 -12.532 1.00 52.45 H new ATOM 0 HA THR A 504 3.548 -11.405 -12.504 1.00 3.13 H new ATOM 0 HB THR A 504 1.334 -10.845 -14.518 1.00 62.15 H new ATOM 0 HG1 THR A 504 0.635 -12.986 -13.823 1.00 62.54 H new ATOM 0 HG21 THR A 504 2.111 -12.879 -15.691 1.00 12.43 H new ATOM 0 HG22 THR A 504 3.356 -11.608 -15.673 1.00 12.43 H new ATOM 0 HG23 THR A 504 3.485 -12.995 -14.565 1.00 12.43 H new ATOM 1116 N PRO A 505 5.132 -9.733 -13.615 1.00 51.13 N ATOM 1117 CA PRO A 505 6.084 -8.887 -14.348 1.00 11.22 C ATOM 1118 C PRO A 505 6.599 -9.536 -15.645 1.00 72.42 C ATOM 1119 O PRO A 505 7.481 -10.395 -15.620 1.00 42.10 O ATOM 1120 CB PRO A 505 7.220 -8.706 -13.338 1.00 10.12 C ATOM 1121 CG PRO A 505 7.218 -9.971 -12.541 1.00 5.51 C ATOM 1122 CD PRO A 505 5.784 -10.447 -12.494 1.00 53.11 C ATOM 0 HA PRO A 505 5.629 -7.955 -14.683 1.00 11.22 H new ATOM 0 HB2 PRO A 505 8.176 -8.554 -13.839 1.00 10.12 H new ATOM 0 HB3 PRO A 505 7.051 -7.836 -12.703 1.00 10.12 H new ATOM 0 HG2 PRO A 505 7.861 -10.721 -13.002 1.00 5.51 H new ATOM 0 HG3 PRO A 505 7.602 -9.797 -11.536 1.00 5.51 H new ATOM 0 HD2 PRO A 505 5.718 -11.528 -12.617 1.00 53.11 H new ATOM 0 HD3 PRO A 505 5.315 -10.206 -11.540 1.00 53.11 H new ATOM 1130 N THR A 506 6.049 -9.116 -16.781 1.00 34.03 N ATOM 1131 CA THR A 506 6.428 -9.683 -18.086 1.00 63.41 C ATOM 1132 C THR A 506 7.709 -9.042 -18.649 1.00 53.13 C ATOM 1133 O THR A 506 8.105 -9.312 -19.783 1.00 71.12 O ATOM 1134 CB THR A 506 5.289 -9.514 -19.120 1.00 0.24 C ATOM 1135 OG1 THR A 506 5.027 -8.120 -19.345 1.00 2.44 O ATOM 1136 CG2 THR A 506 4.011 -10.202 -18.642 1.00 13.35 C ATOM 0 H THR A 506 5.339 -8.385 -16.832 1.00 34.03 H new ATOM 0 HA THR A 506 6.615 -10.743 -17.914 1.00 63.41 H new ATOM 0 HB THR A 506 5.609 -9.979 -20.052 1.00 0.24 H new ATOM 0 HG1 THR A 506 4.306 -8.025 -20.002 1.00 2.44 H new ATOM 0 HG21 THR A 506 3.226 -10.069 -19.386 1.00 13.35 H new ATOM 0 HG22 THR A 506 4.201 -11.266 -18.502 1.00 13.35 H new ATOM 0 HG23 THR A 506 3.693 -9.763 -17.696 1.00 13.35 H new ATOM 1144 N GLN A 507 8.354 -8.196 -17.847 1.00 53.02 N ATOM 1145 CA GLN A 507 9.608 -7.541 -18.241 1.00 23.01 C ATOM 1146 C GLN A 507 10.582 -7.477 -17.052 1.00 73.43 C ATOM 1147 O GLN A 507 10.224 -6.998 -15.974 1.00 33.14 O ATOM 1148 CB GLN A 507 9.316 -6.127 -18.768 1.00 45.05 C ATOM 1149 CG GLN A 507 10.547 -5.372 -19.261 1.00 44.12 C ATOM 1150 CD GLN A 507 11.240 -6.075 -20.416 1.00 15.40 C ATOM 1151 OE1 GLN A 507 12.134 -6.889 -20.220 1.00 1.40 O ATOM 1152 NE2 GLN A 507 10.824 -5.773 -21.629 1.00 10.41 N ATOM 0 H GLN A 507 8.029 -7.945 -16.913 1.00 53.02 H new ATOM 0 HA GLN A 507 10.074 -8.126 -19.034 1.00 23.01 H new ATOM 0 HB2 GLN A 507 8.597 -6.198 -19.584 1.00 45.05 H new ATOM 0 HB3 GLN A 507 8.842 -5.548 -17.975 1.00 45.05 H new ATOM 0 HG2 GLN A 507 10.253 -4.370 -19.574 1.00 44.12 H new ATOM 0 HG3 GLN A 507 11.251 -5.255 -18.437 1.00 44.12 H new ATOM 0 HE21 GLN A 507 10.077 -5.090 -21.757 1.00 10.41 H new ATOM 0 HE22 GLN A 507 11.249 -6.222 -22.440 1.00 10.41 H new ATOM 1161 N GLU A 508 11.808 -7.960 -17.251 1.00 42.41 N ATOM 1162 CA GLU A 508 12.815 -7.989 -16.178 1.00 13.40 C ATOM 1163 C GLU A 508 13.373 -6.592 -15.861 1.00 30.44 C ATOM 1164 O GLU A 508 13.394 -5.705 -16.714 1.00 12.42 O ATOM 1165 CB GLU A 508 13.951 -8.976 -16.519 1.00 50.14 C ATOM 1166 CG GLU A 508 14.617 -8.772 -17.885 1.00 73.25 C ATOM 1167 CD GLU A 508 15.506 -7.539 -17.961 1.00 11.12 C ATOM 1168 OE1 GLU A 508 16.417 -7.397 -17.118 1.00 12.13 O ATOM 1169 OE2 GLU A 508 15.316 -6.714 -18.882 1.00 45.40 O ATOM 0 H GLU A 508 12.132 -8.337 -18.142 1.00 42.41 H new ATOM 0 HA GLU A 508 12.312 -8.339 -15.277 1.00 13.40 H new ATOM 0 HB2 GLU A 508 14.717 -8.902 -15.747 1.00 50.14 H new ATOM 0 HB3 GLU A 508 13.552 -9.990 -16.477 1.00 50.14 H new ATOM 0 HG2 GLU A 508 15.214 -9.653 -18.122 1.00 73.25 H new ATOM 0 HG3 GLU A 508 13.842 -8.697 -18.648 1.00 73.25 H new ATOM 1176 N GLY A 509 13.798 -6.396 -14.615 1.00 70.44 N ATOM 1177 CA GLY A 509 14.335 -5.104 -14.194 1.00 61.15 C ATOM 1178 C GLY A 509 14.158 -4.839 -12.702 1.00 75.25 C ATOM 1179 O GLY A 509 13.820 -5.746 -11.933 1.00 4.00 O ATOM 0 H GLY A 509 13.782 -7.108 -13.885 1.00 70.44 H new ATOM 0 HA2 GLY A 509 15.396 -5.060 -14.441 1.00 61.15 H new ATOM 0 HA3 GLY A 509 13.843 -4.312 -14.758 1.00 61.15 H new ATOM 1183 N MET A 510 14.410 -3.601 -12.280 1.00 22.10 N ATOM 1184 CA MET A 510 14.221 -3.206 -10.881 1.00 44.33 C ATOM 1185 C MET A 510 12.881 -2.475 -10.691 1.00 51.22 C ATOM 1186 O MET A 510 12.656 -1.414 -11.273 1.00 42.12 O ATOM 1187 CB MET A 510 15.383 -2.317 -10.416 1.00 52.45 C ATOM 1188 CG MET A 510 15.354 -2.022 -8.925 1.00 53.15 C ATOM 1189 SD MET A 510 15.434 -3.529 -7.936 1.00 21.22 S ATOM 1190 CE MET A 510 15.242 -2.863 -6.285 1.00 42.43 C ATOM 0 H MET A 510 14.746 -2.852 -12.886 1.00 22.10 H new ATOM 0 HA MET A 510 14.204 -4.110 -10.273 1.00 44.33 H new ATOM 0 HB2 MET A 510 16.326 -2.804 -10.665 1.00 52.45 H new ATOM 0 HB3 MET A 510 15.355 -1.376 -10.966 1.00 52.45 H new ATOM 0 HG2 MET A 510 16.192 -1.374 -8.667 1.00 53.15 H new ATOM 0 HG3 MET A 510 14.443 -1.476 -8.681 1.00 53.15 H new ATOM 0 HE1 MET A 510 15.498 -3.628 -5.552 1.00 42.43 H new ATOM 0 HE2 MET A 510 15.902 -2.005 -6.160 1.00 42.43 H new ATOM 0 HE3 MET A 510 14.208 -2.550 -6.137 1.00 42.43 H new ATOM 1200 N TYR A 511 11.994 -3.045 -9.876 1.00 61.52 N ATOM 1201 CA TYR A 511 10.662 -2.471 -9.654 1.00 10.34 C ATOM 1202 C TYR A 511 10.392 -2.209 -8.165 1.00 62.13 C ATOM 1203 O TYR A 511 10.292 -3.139 -7.370 1.00 12.11 O ATOM 1204 CB TYR A 511 9.584 -3.404 -10.222 1.00 22.11 C ATOM 1205 CG TYR A 511 9.673 -3.595 -11.727 1.00 73.32 C ATOM 1206 CD1 TYR A 511 10.503 -4.567 -12.276 1.00 23.44 C ATOM 1207 CD2 TYR A 511 8.926 -2.806 -12.595 1.00 44.14 C ATOM 1208 CE1 TYR A 511 10.588 -4.743 -13.642 1.00 13.31 C ATOM 1209 CE2 TYR A 511 9.007 -2.979 -13.964 1.00 61.44 C ATOM 1210 CZ TYR A 511 9.838 -3.950 -14.481 1.00 65.24 C ATOM 1211 OH TYR A 511 9.922 -4.129 -15.843 1.00 21.11 O ATOM 0 H TYR A 511 12.172 -3.905 -9.357 1.00 61.52 H new ATOM 0 HA TYR A 511 10.628 -1.513 -10.172 1.00 10.34 H new ATOM 0 HB2 TYR A 511 9.665 -4.376 -9.736 1.00 22.11 H new ATOM 0 HB3 TYR A 511 8.601 -3.003 -9.973 1.00 22.11 H new ATOM 0 HD1 TYR A 511 11.091 -5.194 -11.622 1.00 23.44 H new ATOM 0 HD2 TYR A 511 8.272 -2.046 -12.193 1.00 44.14 H new ATOM 0 HE1 TYR A 511 11.240 -5.500 -14.051 1.00 13.31 H new ATOM 0 HE2 TYR A 511 8.422 -2.357 -14.625 1.00 61.44 H new ATOM 0 HH TYR A 511 10.015 -5.084 -16.042 1.00 21.11 H new ATOM 1221 N ARG A 512 10.281 -0.938 -7.796 1.00 24.30 N ATOM 1222 CA ARG A 512 9.948 -0.556 -6.423 1.00 43.04 C ATOM 1223 C ARG A 512 8.433 -0.326 -6.272 1.00 14.24 C ATOM 1224 O ARG A 512 7.865 0.583 -6.885 1.00 4.43 O ATOM 1225 CB ARG A 512 10.737 0.700 -6.019 1.00 34.53 C ATOM 1226 CG ARG A 512 10.357 1.257 -4.648 1.00 3.52 C ATOM 1227 CD ARG A 512 11.327 2.336 -4.174 1.00 5.14 C ATOM 1228 NE ARG A 512 12.643 1.782 -3.865 1.00 43.03 N ATOM 1229 CZ ARG A 512 13.633 2.464 -3.362 1.00 20.43 C ATOM 1230 NH1 ARG A 512 13.495 3.712 -3.045 1.00 72.02 N ATOM 1231 NH2 ARG A 512 14.759 1.873 -3.149 1.00 62.22 N ATOM 0 H ARG A 512 10.417 -0.150 -8.429 1.00 24.30 H new ATOM 0 HA ARG A 512 10.229 -1.371 -5.756 1.00 43.04 H new ATOM 0 HB2 ARG A 512 11.801 0.465 -6.022 1.00 34.53 H new ATOM 0 HB3 ARG A 512 10.579 1.473 -6.771 1.00 34.53 H new ATOM 0 HG2 ARG A 512 9.350 1.671 -4.693 1.00 3.52 H new ATOM 0 HG3 ARG A 512 10.336 0.445 -3.921 1.00 3.52 H new ATOM 0 HD2 ARG A 512 11.426 3.100 -4.945 1.00 5.14 H new ATOM 0 HD3 ARG A 512 10.922 2.826 -3.289 1.00 5.14 H new ATOM 0 HE ARG A 512 12.798 0.792 -4.056 1.00 43.03 H new ATOM 0 HH11 ARG A 512 12.599 4.178 -3.188 1.00 72.02 H new ATOM 0 HH12 ARG A 512 14.282 4.229 -2.652 1.00 72.02 H new ATOM 0 HH21 ARG A 512 14.866 0.884 -3.374 1.00 62.22 H new ATOM 0 HH22 ARG A 512 15.542 2.395 -2.756 1.00 62.22 H new ATOM 1245 N ILE A 513 7.786 -1.166 -5.466 1.00 62.45 N ATOM 1246 CA ILE A 513 6.343 -1.072 -5.228 1.00 40.44 C ATOM 1247 C ILE A 513 6.045 -0.269 -3.950 1.00 71.31 C ATOM 1248 O ILE A 513 6.531 -0.596 -2.868 1.00 50.25 O ATOM 1249 CB ILE A 513 5.708 -2.481 -5.107 1.00 42.24 C ATOM 1250 CG1 ILE A 513 5.997 -3.309 -6.375 1.00 4.30 C ATOM 1251 CG2 ILE A 513 4.202 -2.376 -4.857 1.00 61.02 C ATOM 1252 CD1 ILE A 513 5.405 -4.705 -6.354 1.00 31.43 C ATOM 0 H ILE A 513 8.242 -1.927 -4.962 1.00 62.45 H new ATOM 0 HA ILE A 513 5.906 -0.555 -6.083 1.00 40.44 H new ATOM 0 HB ILE A 513 6.156 -2.991 -4.254 1.00 42.24 H new ATOM 0 HG12 ILE A 513 5.607 -2.774 -7.241 1.00 4.30 H new ATOM 0 HG13 ILE A 513 7.076 -3.386 -6.507 1.00 4.30 H new ATOM 0 HG21 ILE A 513 3.776 -3.376 -4.775 1.00 61.02 H new ATOM 0 HG22 ILE A 513 4.024 -1.829 -3.931 1.00 61.02 H new ATOM 0 HG23 ILE A 513 3.731 -1.848 -5.686 1.00 61.02 H new ATOM 0 HD11 ILE A 513 5.654 -5.220 -7.282 1.00 31.43 H new ATOM 0 HD12 ILE A 513 5.813 -5.261 -5.510 1.00 31.43 H new ATOM 0 HD13 ILE A 513 4.321 -4.639 -6.255 1.00 31.43 H new ATOM 1264 N ASN A 514 5.244 0.783 -4.086 1.00 32.13 N ATOM 1265 CA ASN A 514 4.884 1.649 -2.957 1.00 60.23 C ATOM 1266 C ASN A 514 3.361 1.729 -2.771 1.00 44.51 C ATOM 1267 O ASN A 514 2.602 1.699 -3.740 1.00 64.50 O ATOM 1268 CB ASN A 514 5.446 3.062 -3.170 1.00 64.11 C ATOM 1269 CG ASN A 514 6.960 3.128 -3.060 1.00 4.33 C ATOM 1270 OD1 ASN A 514 7.669 2.188 -3.390 1.00 31.04 O ATOM 1271 ND2 ASN A 514 7.466 4.248 -2.589 1.00 23.14 N ATOM 0 H ASN A 514 4.826 1.062 -4.974 1.00 32.13 H new ATOM 0 HA ASN A 514 5.318 1.212 -2.058 1.00 60.23 H new ATOM 0 HB2 ASN A 514 5.144 3.422 -4.154 1.00 64.11 H new ATOM 0 HB3 ASN A 514 5.005 3.736 -2.435 1.00 64.11 H new ATOM 0 HD21 ASN A 514 8.476 4.350 -2.491 1.00 23.14 H new ATOM 0 HD22 ASN A 514 6.848 5.014 -2.322 1.00 23.14 H new ATOM 1278 N ALA A 515 2.924 1.841 -1.518 1.00 62.32 N ATOM 1279 CA ALA A 515 1.500 2.021 -1.204 1.00 22.03 C ATOM 1280 C ALA A 515 1.285 3.307 -0.396 1.00 22.25 C ATOM 1281 O ALA A 515 2.051 3.610 0.522 1.00 32.14 O ATOM 1282 CB ALA A 515 0.949 0.815 -0.448 1.00 31.42 C ATOM 0 H ALA A 515 3.533 1.811 -0.700 1.00 62.32 H new ATOM 0 HA ALA A 515 0.956 2.107 -2.144 1.00 22.03 H new ATOM 0 HB1 ALA A 515 -0.107 0.975 -0.228 1.00 31.42 H new ATOM 0 HB2 ALA A 515 1.061 -0.080 -1.060 1.00 31.42 H new ATOM 0 HB3 ALA A 515 1.499 0.688 0.485 1.00 31.42 H new ATOM 1288 N THR A 516 0.251 4.060 -0.748 1.00 73.34 N ATOM 1289 CA THR A 516 -0.033 5.348 -0.102 1.00 32.04 C ATOM 1290 C THR A 516 -1.508 5.477 0.301 1.00 11.23 C ATOM 1291 O THR A 516 -2.403 5.048 -0.428 1.00 71.35 O ATOM 1292 CB THR A 516 0.329 6.523 -1.041 1.00 14.13 C ATOM 1293 OG1 THR A 516 -0.236 6.301 -2.342 1.00 1.02 O ATOM 1294 CG2 THR A 516 1.841 6.690 -1.166 1.00 55.13 C ATOM 0 H THR A 516 -0.412 3.805 -1.480 1.00 73.34 H new ATOM 0 HA THR A 516 0.580 5.386 0.798 1.00 32.04 H new ATOM 0 HB THR A 516 -0.083 7.435 -0.609 1.00 14.13 H new ATOM 0 HG1 THR A 516 -1.209 6.218 -2.266 1.00 1.02 H new ATOM 0 HG21 THR A 516 2.061 7.524 -1.833 1.00 55.13 H new ATOM 0 HG22 THR A 516 2.268 6.889 -0.183 1.00 55.13 H new ATOM 0 HG23 THR A 516 2.276 5.777 -1.572 1.00 55.13 H new ATOM 1302 N VAL A 517 -1.760 6.072 1.469 1.00 25.34 N ATOM 1303 CA VAL A 517 -3.131 6.319 1.934 1.00 64.23 C ATOM 1304 C VAL A 517 -3.451 7.828 1.965 1.00 43.41 C ATOM 1305 O VAL A 517 -2.598 8.645 2.305 1.00 34.41 O ATOM 1306 CB VAL A 517 -3.373 5.694 3.334 1.00 51.40 C ATOM 1307 CG1 VAL A 517 -2.408 6.265 4.369 1.00 3.41 C ATOM 1308 CG2 VAL A 517 -4.822 5.887 3.777 1.00 33.35 C ATOM 0 H VAL A 517 -1.035 6.392 2.111 1.00 25.34 H new ATOM 0 HA VAL A 517 -3.802 5.840 1.221 1.00 64.23 H new ATOM 0 HB VAL A 517 -3.183 4.624 3.255 1.00 51.40 H new ATOM 0 HG11 VAL A 517 -2.603 5.808 5.339 1.00 3.41 H new ATOM 0 HG12 VAL A 517 -1.383 6.052 4.067 1.00 3.41 H new ATOM 0 HG13 VAL A 517 -2.549 7.343 4.442 1.00 3.41 H new ATOM 0 HG21 VAL A 517 -4.964 5.440 4.761 1.00 33.35 H new ATOM 0 HG22 VAL A 517 -5.049 6.952 3.826 1.00 33.35 H new ATOM 0 HG23 VAL A 517 -5.489 5.407 3.060 1.00 33.35 H new ATOM 1318 N ASP A 518 -4.690 8.172 1.593 1.00 41.24 N ATOM 1319 CA ASP A 518 -5.142 9.572 1.494 1.00 12.42 C ATOM 1320 C ASP A 518 -4.231 10.393 0.560 1.00 32.25 C ATOM 1321 O ASP A 518 -3.765 11.479 0.900 1.00 61.54 O ATOM 1322 CB ASP A 518 -5.262 10.234 2.883 1.00 72.11 C ATOM 1323 CG ASP A 518 -6.004 11.574 2.829 1.00 20.05 C ATOM 1324 OD1 ASP A 518 -7.069 11.644 2.172 1.00 74.41 O ATOM 1325 OD2 ASP A 518 -5.541 12.557 3.446 1.00 61.14 O ATOM 0 H ASP A 518 -5.410 7.491 1.352 1.00 41.24 H new ATOM 0 HA ASP A 518 -6.139 9.557 1.055 1.00 12.42 H new ATOM 0 HB2 ASP A 518 -5.785 9.559 3.560 1.00 72.11 H new ATOM 0 HB3 ASP A 518 -4.265 10.390 3.296 1.00 72.11 H new ATOM 1330 N GLU A 519 -3.986 9.849 -0.632 1.00 14.51 N ATOM 1331 CA GLU A 519 -3.297 10.578 -1.707 1.00 33.25 C ATOM 1332 C GLU A 519 -3.947 11.946 -1.970 1.00 2.14 C ATOM 1333 O GLU A 519 -3.292 12.881 -2.434 1.00 2.41 O ATOM 1334 CB GLU A 519 -3.279 9.744 -2.995 1.00 24.25 C ATOM 1335 CG GLU A 519 -2.248 8.623 -2.990 1.00 73.13 C ATOM 1336 CD GLU A 519 -0.819 9.148 -3.098 1.00 65.32 C ATOM 1337 OE1 GLU A 519 -0.269 9.618 -2.083 1.00 73.41 O ATOM 1338 OE2 GLU A 519 -0.247 9.102 -4.207 1.00 34.11 O ATOM 0 H GLU A 519 -4.256 8.898 -0.883 1.00 14.51 H new ATOM 0 HA GLU A 519 -2.271 10.752 -1.381 1.00 33.25 H new ATOM 0 HB2 GLU A 519 -4.268 9.314 -3.152 1.00 24.25 H new ATOM 0 HB3 GLU A 519 -3.081 10.403 -3.840 1.00 24.25 H new ATOM 0 HG2 GLU A 519 -2.351 8.042 -2.073 1.00 73.13 H new ATOM 0 HG3 GLU A 519 -2.447 7.946 -3.820 1.00 73.13 H new ATOM 1345 N GLU A 520 -5.245 12.037 -1.700 1.00 50.15 N ATOM 1346 CA GLU A 520 -5.996 13.282 -1.867 1.00 42.04 C ATOM 1347 C GLU A 520 -5.512 14.364 -0.883 1.00 11.14 C ATOM 1348 O GLU A 520 -5.704 15.559 -1.122 1.00 53.31 O ATOM 1349 CB GLU A 520 -7.489 13.010 -1.629 1.00 54.02 C ATOM 1350 CG GLU A 520 -8.059 11.868 -2.467 1.00 23.11 C ATOM 1351 CD GLU A 520 -8.140 12.194 -3.950 1.00 2.43 C ATOM 1352 OE1 GLU A 520 -7.145 11.968 -4.674 1.00 52.25 O ATOM 1353 OE2 GLU A 520 -9.203 12.673 -4.398 1.00 74.23 O ATOM 0 H GLU A 520 -5.806 11.256 -1.361 1.00 50.15 H new ATOM 0 HA GLU A 520 -5.834 13.646 -2.882 1.00 42.04 H new ATOM 0 HB2 GLU A 520 -7.642 12.783 -0.574 1.00 54.02 H new ATOM 0 HB3 GLU A 520 -8.051 13.919 -1.844 1.00 54.02 H new ATOM 0 HG2 GLU A 520 -7.440 10.982 -2.330 1.00 23.11 H new ATOM 0 HG3 GLU A 520 -9.056 11.620 -2.101 1.00 23.11 H new ATOM 1360 N ASN A 521 -4.882 13.931 0.213 1.00 63.41 N ATOM 1361 CA ASN A 521 -4.376 14.838 1.254 1.00 44.50 C ATOM 1362 C ASN A 521 -5.490 15.738 1.803 1.00 1.30 C ATOM 1363 O ASN A 521 -5.540 16.939 1.526 1.00 14.34 O ATOM 1364 CB ASN A 521 -3.202 15.678 0.729 1.00 52.44 C ATOM 1365 CG ASN A 521 -1.983 14.829 0.423 1.00 23.44 C ATOM 1366 OD1 ASN A 521 -1.136 14.604 1.280 1.00 54.32 O ATOM 1367 ND2 ASN A 521 -1.880 14.347 -0.795 1.00 75.33 N ATOM 0 H ASN A 521 -4.707 12.945 0.406 1.00 63.41 H new ATOM 0 HA ASN A 521 -4.012 14.223 2.077 1.00 44.50 H new ATOM 0 HB2 ASN A 521 -3.510 16.207 -0.173 1.00 52.44 H new ATOM 0 HB3 ASN A 521 -2.940 16.435 1.468 1.00 52.44 H new ATOM 0 HD21 ASN A 521 -1.079 13.768 -1.048 1.00 75.33 H new ATOM 0 HD22 ASN A 521 -2.601 14.551 -1.487 1.00 75.33 H new ATOM 1374 N THR A 522 -6.391 15.145 2.578 1.00 14.04 N ATOM 1375 CA THR A 522 -7.562 15.861 3.093 1.00 62.42 C ATOM 1376 C THR A 522 -7.579 15.934 4.627 1.00 53.43 C ATOM 1377 O THR A 522 -8.340 16.710 5.207 1.00 12.14 O ATOM 1378 CB THR A 522 -8.878 15.196 2.619 1.00 34.44 C ATOM 1379 OG1 THR A 522 -8.997 13.871 3.171 1.00 3.21 O ATOM 1380 CG2 THR A 522 -8.939 15.118 1.096 1.00 31.20 C ATOM 0 H THR A 522 -6.336 14.168 2.866 1.00 14.04 H new ATOM 0 HA THR A 522 -7.490 16.873 2.696 1.00 62.42 H new ATOM 0 HB THR A 522 -9.705 15.812 2.970 1.00 34.44 H new ATOM 0 HG1 THR A 522 -8.350 13.277 2.737 1.00 3.21 H new ATOM 0 HG21 THR A 522 -9.874 14.647 0.793 1.00 31.20 H new ATOM 0 HG22 THR A 522 -8.887 16.123 0.678 1.00 31.20 H new ATOM 0 HG23 THR A 522 -8.099 14.528 0.728 1.00 31.20 H new ATOM 1388 N VAL A 523 -6.748 15.131 5.293 1.00 52.40 N ATOM 1389 CA VAL A 523 -6.744 15.091 6.764 1.00 52.34 C ATOM 1390 C VAL A 523 -5.341 15.314 7.364 1.00 32.22 C ATOM 1391 O VAL A 523 -4.335 14.857 6.826 1.00 71.01 O ATOM 1392 CB VAL A 523 -7.325 13.749 7.284 1.00 5.45 C ATOM 1393 CG1 VAL A 523 -6.496 12.559 6.801 1.00 62.00 C ATOM 1394 CG2 VAL A 523 -7.436 13.757 8.809 1.00 24.51 C ATOM 0 H VAL A 523 -6.076 14.506 4.849 1.00 52.40 H new ATOM 0 HA VAL A 523 -7.378 15.915 7.092 1.00 52.34 H new ATOM 0 HB VAL A 523 -8.328 13.640 6.872 1.00 5.45 H new ATOM 0 HG11 VAL A 523 -6.930 11.635 7.183 1.00 62.00 H new ATOM 0 HG12 VAL A 523 -6.493 12.536 5.711 1.00 62.00 H new ATOM 0 HG13 VAL A 523 -5.473 12.657 7.164 1.00 62.00 H new ATOM 0 HG21 VAL A 523 -7.846 12.806 9.149 1.00 24.51 H new ATOM 0 HG22 VAL A 523 -6.448 13.903 9.245 1.00 24.51 H new ATOM 0 HG23 VAL A 523 -8.094 14.568 9.122 1.00 24.51 H new ATOM 1404 N VAL A 524 -5.291 16.054 8.474 1.00 54.44 N ATOM 1405 CA VAL A 524 -4.056 16.218 9.253 1.00 54.02 C ATOM 1406 C VAL A 524 -4.006 15.183 10.391 1.00 34.33 C ATOM 1407 O VAL A 524 -4.789 15.255 11.339 1.00 61.32 O ATOM 1408 CB VAL A 524 -3.951 17.648 9.847 1.00 32.12 C ATOM 1409 CG1 VAL A 524 -2.691 17.796 10.704 1.00 22.31 C ATOM 1410 CG2 VAL A 524 -3.978 18.697 8.736 1.00 21.52 C ATOM 0 H VAL A 524 -6.094 16.552 8.857 1.00 54.44 H new ATOM 0 HA VAL A 524 -3.213 16.062 8.579 1.00 54.02 H new ATOM 0 HB VAL A 524 -4.815 17.810 10.491 1.00 32.12 H new ATOM 0 HG11 VAL A 524 -2.642 18.807 11.108 1.00 22.31 H new ATOM 0 HG12 VAL A 524 -2.723 17.079 11.524 1.00 22.31 H new ATOM 0 HG13 VAL A 524 -1.810 17.607 10.091 1.00 22.31 H new ATOM 0 HG21 VAL A 524 -3.903 19.692 9.174 1.00 21.52 H new ATOM 0 HG22 VAL A 524 -3.138 18.534 8.061 1.00 21.52 H new ATOM 0 HG23 VAL A 524 -4.912 18.614 8.180 1.00 21.52 H new ATOM 1420 N GLU A 525 -3.096 14.218 10.287 1.00 0.21 N ATOM 1421 CA GLU A 525 -3.036 13.107 11.247 1.00 62.10 C ATOM 1422 C GLU A 525 -1.899 13.266 12.270 1.00 0.11 C ATOM 1423 O GLU A 525 -1.148 14.244 12.242 1.00 51.23 O ATOM 1424 CB GLU A 525 -2.888 11.779 10.497 1.00 53.53 C ATOM 1425 CG GLU A 525 -4.003 11.526 9.485 1.00 5.51 C ATOM 1426 CD GLU A 525 -4.108 10.065 9.092 1.00 24.00 C ATOM 1427 OE1 GLU A 525 -3.266 9.593 8.303 1.00 73.43 O ATOM 1428 OE2 GLU A 525 -5.023 9.379 9.595 1.00 35.22 O ATOM 0 H GLU A 525 -2.390 14.178 9.552 1.00 0.21 H new ATOM 0 HA GLU A 525 -3.970 13.116 11.808 1.00 62.10 H new ATOM 0 HB2 GLU A 525 -1.929 11.767 9.980 1.00 53.53 H new ATOM 0 HB3 GLU A 525 -2.871 10.963 11.219 1.00 53.53 H new ATOM 0 HG2 GLU A 525 -4.953 11.855 9.906 1.00 5.51 H new ATOM 0 HG3 GLU A 525 -3.824 12.127 8.594 1.00 5.51 H new ATOM 1435 N LEU A 526 -1.785 12.292 13.175 1.00 73.01 N ATOM 1436 CA LEU A 526 -0.784 12.333 14.249 1.00 2.34 C ATOM 1437 C LEU A 526 0.649 12.171 13.710 1.00 63.32 C ATOM 1438 O LEU A 526 1.577 12.836 14.177 1.00 31.44 O ATOM 1439 CB LEU A 526 -1.077 11.231 15.277 1.00 3.22 C ATOM 1440 CG LEU A 526 -2.419 11.355 16.012 1.00 11.23 C ATOM 1441 CD1 LEU A 526 -2.664 10.133 16.893 1.00 53.13 C ATOM 1442 CD2 LEU A 526 -2.462 12.637 16.843 1.00 10.12 C ATOM 0 H LEU A 526 -2.375 11.460 13.187 1.00 73.01 H new ATOM 0 HA LEU A 526 -0.851 13.312 14.723 1.00 2.34 H new ATOM 0 HB2 LEU A 526 -1.048 10.267 14.769 1.00 3.22 H new ATOM 0 HB3 LEU A 526 -0.276 11.226 16.017 1.00 3.22 H new ATOM 0 HG LEU A 526 -3.214 11.404 15.268 1.00 11.23 H new ATOM 0 HD11 LEU A 526 -3.620 10.240 17.406 1.00 53.13 H new ATOM 0 HD12 LEU A 526 -2.682 9.236 16.274 1.00 53.13 H new ATOM 0 HD13 LEU A 526 -1.865 10.049 17.629 1.00 53.13 H new ATOM 0 HD21 LEU A 526 -3.421 12.706 17.356 1.00 10.12 H new ATOM 0 HD22 LEU A 526 -1.658 12.621 17.578 1.00 10.12 H new ATOM 0 HD23 LEU A 526 -2.338 13.499 16.188 1.00 10.12 H new ATOM 1454 N ASN A 527 0.821 11.285 12.732 1.00 44.43 N ATOM 1455 CA ASN A 527 2.130 11.059 12.106 1.00 61.33 C ATOM 1456 C ASN A 527 2.060 11.358 10.599 1.00 24.11 C ATOM 1457 O ASN A 527 1.412 10.639 9.842 1.00 34.52 O ATOM 1458 CB ASN A 527 2.574 9.610 12.344 1.00 20.10 C ATOM 1459 CG ASN A 527 4.021 9.352 11.954 1.00 20.52 C ATOM 1460 OD1 ASN A 527 4.591 10.033 11.104 1.00 11.42 O ATOM 1461 ND2 ASN A 527 4.624 8.348 12.560 1.00 62.33 N ATOM 0 H ASN A 527 0.071 10.708 12.352 1.00 44.43 H new ATOM 0 HA ASN A 527 2.860 11.732 12.555 1.00 61.33 H new ATOM 0 HB2 ASN A 527 2.440 9.365 13.398 1.00 20.10 H new ATOM 0 HB3 ASN A 527 1.927 8.941 11.776 1.00 20.10 H new ATOM 0 HD21 ASN A 527 5.590 8.118 12.327 1.00 62.33 H new ATOM 0 HD22 ASN A 527 4.124 7.801 13.261 1.00 62.33 H new ATOM 1468 N GLU A 528 2.751 12.407 10.162 1.00 11.13 N ATOM 1469 CA GLU A 528 2.666 12.856 8.765 1.00 64.41 C ATOM 1470 C GLU A 528 3.617 12.060 7.844 1.00 14.40 C ATOM 1471 O GLU A 528 3.575 12.196 6.620 1.00 55.32 O ATOM 1472 CB GLU A 528 2.967 14.361 8.689 1.00 5.42 C ATOM 1473 CG GLU A 528 2.621 14.998 7.348 1.00 34.31 C ATOM 1474 CD GLU A 528 2.835 16.502 7.346 1.00 50.51 C ATOM 1475 OE1 GLU A 528 1.969 17.231 7.873 1.00 32.42 O ATOM 1476 OE2 GLU A 528 3.872 16.962 6.824 1.00 14.24 O ATOM 0 H GLU A 528 3.374 12.963 10.747 1.00 11.13 H new ATOM 0 HA GLU A 528 1.652 12.671 8.410 1.00 64.41 H new ATOM 0 HB2 GLU A 528 2.412 14.872 9.476 1.00 5.42 H new ATOM 0 HB3 GLU A 528 4.026 14.519 8.892 1.00 5.42 H new ATOM 0 HG2 GLU A 528 3.232 14.546 6.566 1.00 34.31 H new ATOM 0 HG3 GLU A 528 1.581 14.782 7.104 1.00 34.31 H new ATOM 1483 N ASN A 529 4.470 11.229 8.438 1.00 65.22 N ATOM 1484 CA ASN A 529 5.370 10.349 7.672 1.00 61.23 C ATOM 1485 C ASN A 529 4.821 8.913 7.625 1.00 73.24 C ATOM 1486 O ASN A 529 5.482 7.990 7.149 1.00 25.24 O ATOM 1487 CB ASN A 529 6.765 10.346 8.308 1.00 24.10 C ATOM 1488 CG ASN A 529 7.367 11.736 8.409 1.00 34.10 C ATOM 1489 OD1 ASN A 529 7.135 12.456 9.372 1.00 15.25 O ATOM 1490 ND2 ASN A 529 8.147 12.124 7.419 1.00 52.44 N ATOM 0 H ASN A 529 4.562 11.141 9.450 1.00 65.22 H new ATOM 0 HA ASN A 529 5.435 10.730 6.653 1.00 61.23 H new ATOM 0 HB2 ASN A 529 6.704 9.908 9.304 1.00 24.10 H new ATOM 0 HB3 ASN A 529 7.426 9.710 7.720 1.00 24.10 H new ATOM 0 HD21 ASN A 529 8.577 13.048 7.441 1.00 52.44 H new ATOM 0 HD22 ASN A 529 8.320 11.500 6.631 1.00 52.44 H new ATOM 1497 N ASN A 530 3.593 8.748 8.100 1.00 34.14 N ATOM 1498 CA ASN A 530 2.989 7.428 8.309 1.00 5.34 C ATOM 1499 C ASN A 530 2.254 6.915 7.053 1.00 75.42 C ATOM 1500 O ASN A 530 2.074 5.710 6.868 1.00 11.54 O ATOM 1501 CB ASN A 530 2.004 7.544 9.478 1.00 41.52 C ATOM 1502 CG ASN A 530 1.660 6.221 10.121 1.00 74.10 C ATOM 1503 OD1 ASN A 530 2.471 5.302 10.160 1.00 61.33 O ATOM 1504 ND2 ASN A 530 0.457 6.112 10.643 1.00 3.44 N ATOM 0 H ASN A 530 2.982 9.525 8.353 1.00 34.14 H new ATOM 0 HA ASN A 530 3.779 6.709 8.526 1.00 5.34 H new ATOM 0 HB2 ASN A 530 2.428 8.205 10.234 1.00 41.52 H new ATOM 0 HB3 ASN A 530 1.087 8.014 9.123 1.00 41.52 H new ATOM 0 HD21 ASN A 530 0.175 5.243 11.097 1.00 3.44 H new ATOM 0 HD22 ASN A 530 -0.193 6.896 10.593 1.00 3.44 H new ATOM 1511 N ASN A 531 1.863 7.840 6.182 1.00 32.32 N ATOM 1512 CA ASN A 531 0.949 7.542 5.067 1.00 21.44 C ATOM 1513 C ASN A 531 1.627 6.845 3.868 1.00 4.33 C ATOM 1514 O ASN A 531 0.951 6.466 2.909 1.00 15.43 O ATOM 1515 CB ASN A 531 0.292 8.847 4.602 1.00 72.23 C ATOM 1516 CG ASN A 531 -0.306 9.619 5.765 1.00 64.54 C ATOM 1517 OD1 ASN A 531 0.369 10.426 6.397 1.00 34.25 O ATOM 1518 ND2 ASN A 531 -1.565 9.376 6.057 1.00 52.24 N ATOM 0 H ASN A 531 2.164 8.814 6.222 1.00 32.32 H new ATOM 0 HA ASN A 531 0.209 6.837 5.445 1.00 21.44 H new ATOM 0 HB2 ASN A 531 1.032 9.467 4.096 1.00 72.23 H new ATOM 0 HB3 ASN A 531 -0.488 8.623 3.874 1.00 72.23 H new ATOM 0 HD21 ASN A 531 -2.012 9.866 6.832 1.00 52.24 H new ATOM 0 HD22 ASN A 531 -2.094 8.698 5.509 1.00 52.24 H new ATOM 1525 N VAL A 532 2.948 6.666 3.915 1.00 15.31 N ATOM 1526 CA VAL A 532 3.684 6.088 2.773 1.00 62.12 C ATOM 1527 C VAL A 532 4.480 4.828 3.162 1.00 74.25 C ATOM 1528 O VAL A 532 5.218 4.825 4.151 1.00 25.13 O ATOM 1529 CB VAL A 532 4.659 7.124 2.149 1.00 21.53 C ATOM 1530 CG1 VAL A 532 5.398 6.533 0.942 1.00 53.12 C ATOM 1531 CG2 VAL A 532 3.913 8.400 1.758 1.00 43.12 C ATOM 0 H VAL A 532 3.530 6.907 4.717 1.00 15.31 H new ATOM 0 HA VAL A 532 2.927 5.806 2.041 1.00 62.12 H new ATOM 0 HB VAL A 532 5.404 7.380 2.903 1.00 21.53 H new ATOM 0 HG11 VAL A 532 6.073 7.281 0.527 1.00 53.12 H new ATOM 0 HG12 VAL A 532 5.972 5.662 1.258 1.00 53.12 H new ATOM 0 HG13 VAL A 532 4.675 6.235 0.183 1.00 53.12 H new ATOM 0 HG21 VAL A 532 4.614 9.112 1.323 1.00 43.12 H new ATOM 0 HG22 VAL A 532 3.140 8.160 1.028 1.00 43.12 H new ATOM 0 HG23 VAL A 532 3.453 8.838 2.644 1.00 43.12 H new ATOM 1541 N ALA A 533 4.324 3.762 2.372 1.00 1.50 N ATOM 1542 CA ALA A 533 5.114 2.531 2.542 1.00 54.11 C ATOM 1543 C ALA A 533 5.857 2.166 1.245 1.00 32.14 C ATOM 1544 O ALA A 533 5.323 2.326 0.147 1.00 14.22 O ATOM 1545 CB ALA A 533 4.215 1.378 2.973 1.00 52.44 C ATOM 0 H ALA A 533 3.655 3.723 1.603 1.00 1.50 H new ATOM 0 HA ALA A 533 5.855 2.713 3.320 1.00 54.11 H new ATOM 0 HB1 ALA A 533 4.814 0.475 3.094 1.00 52.44 H new ATOM 0 HB2 ALA A 533 3.735 1.625 3.920 1.00 52.44 H new ATOM 0 HB3 ALA A 533 3.452 1.208 2.213 1.00 52.44 H new ATOM 1551 N THR A 534 7.085 1.668 1.378 1.00 61.45 N ATOM 1552 CA THR A 534 7.946 1.375 0.218 1.00 51.14 C ATOM 1553 C THR A 534 8.520 -0.051 0.261 1.00 43.45 C ATOM 1554 O THR A 534 8.980 -0.510 1.305 1.00 31.35 O ATOM 1555 CB THR A 534 9.111 2.394 0.132 1.00 74.54 C ATOM 1556 OG1 THR A 534 8.595 3.713 -0.123 1.00 35.53 O ATOM 1557 CG2 THR A 534 10.108 2.018 -0.958 1.00 55.42 C ATOM 0 H THR A 534 7.514 1.456 2.279 1.00 61.45 H new ATOM 0 HA THR A 534 7.316 1.458 -0.667 1.00 51.14 H new ATOM 0 HB THR A 534 9.633 2.380 1.089 1.00 74.54 H new ATOM 0 HG1 THR A 534 9.338 4.350 -0.175 1.00 35.53 H new ATOM 0 HG21 THR A 534 10.910 2.756 -0.988 1.00 55.42 H new ATOM 0 HG22 THR A 534 10.527 1.035 -0.744 1.00 55.42 H new ATOM 0 HG23 THR A 534 9.601 1.994 -1.923 1.00 55.42 H new ATOM 1565 N PHE A 535 8.490 -0.745 -0.881 1.00 34.43 N ATOM 1566 CA PHE A 535 9.036 -2.109 -0.985 1.00 0.33 C ATOM 1567 C PHE A 535 9.768 -2.321 -2.329 1.00 42.15 C ATOM 1568 O PHE A 535 9.258 -1.963 -3.389 1.00 2.10 O ATOM 1569 CB PHE A 535 7.899 -3.131 -0.826 1.00 42.12 C ATOM 1570 CG PHE A 535 8.360 -4.563 -0.702 1.00 44.33 C ATOM 1571 CD1 PHE A 535 8.807 -5.058 0.515 1.00 63.12 C ATOM 1572 CD2 PHE A 535 8.343 -5.415 -1.799 1.00 70.25 C ATOM 1573 CE1 PHE A 535 9.228 -6.369 0.635 1.00 33.13 C ATOM 1574 CE2 PHE A 535 8.762 -6.726 -1.683 1.00 73.21 C ATOM 1575 CZ PHE A 535 9.204 -7.204 -0.465 1.00 55.35 C ATOM 0 H PHE A 535 8.093 -0.387 -1.750 1.00 34.43 H new ATOM 0 HA PHE A 535 9.766 -2.251 -0.188 1.00 0.33 H new ATOM 0 HB2 PHE A 535 7.315 -2.872 0.057 1.00 42.12 H new ATOM 0 HB3 PHE A 535 7.232 -3.050 -1.684 1.00 42.12 H new ATOM 0 HD1 PHE A 535 8.826 -4.411 1.379 1.00 63.12 H new ATOM 0 HD2 PHE A 535 7.998 -5.048 -2.754 1.00 70.25 H new ATOM 0 HE1 PHE A 535 9.575 -6.740 1.588 1.00 33.13 H new ATOM 0 HE2 PHE A 535 8.744 -7.377 -2.544 1.00 73.21 H new ATOM 0 HZ PHE A 535 9.530 -8.229 -0.373 1.00 55.35 H new ATOM 1585 N ASP A 536 10.970 -2.899 -2.278 1.00 40.04 N ATOM 1586 CA ASP A 536 11.771 -3.145 -3.489 1.00 71.42 C ATOM 1587 C ASP A 536 11.591 -4.582 -4.016 1.00 14.35 C ATOM 1588 O ASP A 536 11.706 -5.549 -3.259 1.00 30.04 O ATOM 1589 CB ASP A 536 13.258 -2.894 -3.201 1.00 44.40 C ATOM 1590 CG ASP A 536 13.566 -1.442 -2.885 1.00 35.02 C ATOM 1591 OD1 ASP A 536 13.381 -1.026 -1.721 1.00 31.51 O ATOM 1592 OD2 ASP A 536 14.009 -0.710 -3.797 1.00 65.43 O ATOM 0 H ASP A 536 11.414 -3.207 -1.413 1.00 40.04 H new ATOM 0 HA ASP A 536 11.418 -2.455 -4.255 1.00 71.42 H new ATOM 0 HB2 ASP A 536 13.570 -3.516 -2.362 1.00 44.40 H new ATOM 0 HB3 ASP A 536 13.847 -3.205 -4.064 1.00 44.40 H new ATOM 1597 N VAL A 537 11.318 -4.710 -5.316 1.00 53.13 N ATOM 1598 CA VAL A 537 11.171 -6.024 -5.963 1.00 34.21 C ATOM 1599 C VAL A 537 12.132 -6.178 -7.159 1.00 23.35 C ATOM 1600 O VAL A 537 12.230 -5.294 -8.019 1.00 74.02 O ATOM 1601 CB VAL A 537 9.717 -6.254 -6.456 1.00 40.12 C ATOM 1602 CG1 VAL A 537 9.570 -7.635 -7.100 1.00 34.34 C ATOM 1603 CG2 VAL A 537 8.718 -6.081 -5.314 1.00 73.13 C ATOM 0 H VAL A 537 11.193 -3.919 -5.947 1.00 53.13 H new ATOM 0 HA VAL A 537 11.418 -6.769 -5.207 1.00 34.21 H new ATOM 0 HB VAL A 537 9.498 -5.501 -7.213 1.00 40.12 H new ATOM 0 HG11 VAL A 537 8.542 -7.772 -7.437 1.00 34.34 H new ATOM 0 HG12 VAL A 537 10.245 -7.713 -7.952 1.00 34.34 H new ATOM 0 HG13 VAL A 537 9.818 -8.405 -6.370 1.00 34.34 H new ATOM 0 HG21 VAL A 537 7.707 -6.248 -5.686 1.00 73.13 H new ATOM 0 HG22 VAL A 537 8.938 -6.801 -4.526 1.00 73.13 H new ATOM 0 HG23 VAL A 537 8.795 -5.070 -4.913 1.00 73.13 H new ATOM 1613 N SER A 538 12.839 -7.306 -7.210 1.00 53.54 N ATOM 1614 CA SER A 538 13.758 -7.608 -8.316 1.00 44.50 C ATOM 1615 C SER A 538 13.167 -8.675 -9.246 1.00 53.24 C ATOM 1616 O SER A 538 12.844 -9.781 -8.811 1.00 74.35 O ATOM 1617 CB SER A 538 15.110 -8.093 -7.774 1.00 52.03 C ATOM 1618 OG SER A 538 16.021 -8.375 -8.828 1.00 12.13 O ATOM 0 H SER A 538 12.795 -8.032 -6.495 1.00 53.54 H new ATOM 0 HA SER A 538 13.906 -6.690 -8.885 1.00 44.50 H new ATOM 0 HB2 SER A 538 15.534 -7.333 -7.118 1.00 52.03 H new ATOM 0 HB3 SER A 538 14.962 -8.988 -7.170 1.00 52.03 H new ATOM 0 HG SER A 538 16.873 -8.680 -8.451 1.00 12.13 H new ATOM 1624 N VAL A 539 13.021 -8.337 -10.527 1.00 30.43 N ATOM 1625 CA VAL A 539 12.473 -9.272 -11.519 1.00 53.52 C ATOM 1626 C VAL A 539 13.582 -9.861 -12.408 1.00 70.22 C ATOM 1627 O VAL A 539 14.294 -9.127 -13.099 1.00 65.52 O ATOM 1628 CB VAL A 539 11.417 -8.582 -12.417 1.00 23.53 C ATOM 1629 CG1 VAL A 539 10.828 -9.570 -13.427 1.00 52.23 C ATOM 1630 CG2 VAL A 539 10.316 -7.950 -11.568 1.00 74.22 C ATOM 0 H VAL A 539 13.273 -7.424 -10.906 1.00 30.43 H new ATOM 0 HA VAL A 539 11.998 -10.079 -10.962 1.00 53.52 H new ATOM 0 HB VAL A 539 11.914 -7.788 -12.975 1.00 23.53 H new ATOM 0 HG11 VAL A 539 10.089 -9.061 -14.046 1.00 52.23 H new ATOM 0 HG12 VAL A 539 11.624 -9.961 -14.061 1.00 52.23 H new ATOM 0 HG13 VAL A 539 10.351 -10.393 -12.895 1.00 52.23 H new ATOM 0 HG21 VAL A 539 9.585 -7.471 -12.219 1.00 74.22 H new ATOM 0 HG22 VAL A 539 9.824 -8.722 -10.976 1.00 74.22 H new ATOM 0 HG23 VAL A 539 10.752 -7.205 -10.902 1.00 74.22 H new ATOM 1640 N VAL A 540 13.711 -11.187 -12.390 1.00 21.54 N ATOM 1641 CA VAL A 540 14.744 -11.885 -13.171 1.00 32.21 C ATOM 1642 C VAL A 540 14.132 -12.809 -14.240 1.00 44.14 C ATOM 1643 O VAL A 540 12.947 -13.133 -14.197 1.00 1.34 O ATOM 1644 CB VAL A 540 15.671 -12.717 -12.248 1.00 13.53 C ATOM 1645 CG1 VAL A 540 16.419 -11.805 -11.274 1.00 33.33 C ATOM 1646 CG2 VAL A 540 14.872 -13.781 -11.493 1.00 42.23 C ATOM 0 H VAL A 540 13.113 -11.806 -11.842 1.00 21.54 H new ATOM 0 HA VAL A 540 15.328 -11.114 -13.674 1.00 32.21 H new ATOM 0 HB VAL A 540 16.406 -13.226 -12.871 1.00 13.53 H new ATOM 0 HG11 VAL A 540 17.065 -12.407 -10.635 1.00 33.33 H new ATOM 0 HG12 VAL A 540 17.025 -11.093 -11.834 1.00 33.33 H new ATOM 0 HG13 VAL A 540 15.701 -11.264 -10.658 1.00 33.33 H new ATOM 0 HG21 VAL A 540 15.543 -14.353 -10.852 1.00 42.23 H new ATOM 0 HG22 VAL A 540 14.110 -13.298 -10.882 1.00 42.23 H new ATOM 0 HG23 VAL A 540 14.394 -14.452 -12.207 1.00 42.23 H new ATOM 1656 N LEU A 541 14.958 -13.251 -15.190 1.00 3.11 N ATOM 1657 CA LEU A 541 14.496 -14.122 -16.285 1.00 14.42 C ATOM 1658 C LEU A 541 14.507 -15.610 -15.892 1.00 54.33 C ATOM 1659 O LEU A 541 14.315 -16.483 -16.743 1.00 65.42 O ATOM 1660 CB LEU A 541 15.371 -13.919 -17.531 1.00 30.22 C ATOM 1661 CG LEU A 541 15.270 -12.540 -18.204 1.00 63.02 C ATOM 1662 CD1 LEU A 541 16.207 -12.461 -19.406 1.00 33.13 C ATOM 1663 CD2 LEU A 541 13.830 -12.250 -18.624 1.00 71.24 C ATOM 0 H LEU A 541 15.951 -13.023 -15.228 1.00 3.11 H new ATOM 0 HA LEU A 541 13.466 -13.840 -16.502 1.00 14.42 H new ATOM 0 HB2 LEU A 541 16.411 -14.091 -17.253 1.00 30.22 H new ATOM 0 HB3 LEU A 541 15.107 -14.680 -18.265 1.00 30.22 H new ATOM 0 HG LEU A 541 15.574 -11.783 -17.482 1.00 63.02 H new ATOM 0 HD11 LEU A 541 16.122 -11.478 -19.870 1.00 33.13 H new ATOM 0 HD12 LEU A 541 17.234 -12.620 -19.078 1.00 33.13 H new ATOM 0 HD13 LEU A 541 15.935 -13.229 -20.130 1.00 33.13 H new ATOM 0 HD21 LEU A 541 13.780 -11.270 -19.098 1.00 71.24 H new ATOM 0 HD22 LEU A 541 13.496 -13.012 -19.329 1.00 71.24 H new ATOM 0 HD23 LEU A 541 13.185 -12.261 -17.745 1.00 71.24 H new ATOM 1675 N GLU A 542 14.711 -15.896 -14.610 1.00 73.15 N ATOM 1676 CA GLU A 542 14.837 -17.281 -14.131 1.00 62.54 C ATOM 1677 C GLU A 542 14.066 -17.518 -12.807 1.00 30.43 C ATOM 1678 O GLU A 542 14.593 -17.184 -11.723 1.00 37.85 O ATOM 1679 CB GLU A 542 16.335 -17.627 -13.992 1.00 2.32 C ATOM 1680 CG GLU A 542 17.157 -16.567 -13.255 1.00 63.14 C ATOM 1681 CD GLU A 542 18.656 -16.764 -13.414 1.00 12.24 C ATOM 1682 OE1 GLU A 542 19.180 -17.787 -12.928 1.00 4.34 O ATOM 1683 OE2 GLU A 542 19.319 -15.899 -14.034 1.00 14.31 O ATOM 0 H GLU A 542 14.794 -15.191 -13.878 1.00 73.15 H new ATOM 0 HA GLU A 542 14.379 -17.948 -14.862 1.00 62.54 H new ATOM 0 HB2 GLU A 542 16.430 -18.576 -13.464 1.00 2.32 H new ATOM 0 HB3 GLU A 542 16.757 -17.772 -14.987 1.00 2.32 H new ATOM 0 HG2 GLU A 542 16.884 -15.579 -13.627 1.00 63.14 H new ATOM 0 HG3 GLU A 542 16.903 -16.590 -12.195 1.00 63.14 H new