USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 662 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 487 GLN : amide:sc= -0.721 K(o=0.56,f=-2.2) USER MOD Set 1.2: A 489 TYR OH : rot -137:sc= 1.28 USER MOD Single : A 480 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 486 MET CE :methyl 150:sc= -0.0801 (180deg=-0.841) USER MOD Single : A 503 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.4!) USER MOD Single : A 510 ASN : amide:sc= -0.363 K(o=-0.36,f=-1.6) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 518 TYR OH : rot -92:sc= 1.14 USER MOD Single : A 521 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-2.3) USER MOD Single : A 529 SER OG : rot -78:sc= -0.583 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.0745 X(o=-0.074,f=-0.12) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 546 THR OG1 : rot -36:sc= 0.0442 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 ASN : amide:sc= -3.13 K(o=-3.1,f=-4.3) USER MOD Single : A 553 LYS NZ :NH3+ 150:sc= -0.0285 (180deg=-0.327) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= -0.295 K(o=-0.3,f=0.44) USER MOD Single : A 557 MET CE :methyl -161:sc= -1.97 (180deg=-2.8!) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 564 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 480 1.437 -0.030 0.252 1.00 75.41 N ATOM 2 CA MET A 480 2.166 -0.027 -1.011 1.00 22.32 C ATOM 3 C MET A 480 2.707 -1.417 -1.329 1.00 64.43 C ATOM 4 O MET A 480 3.599 -1.918 -0.645 1.00 22.11 O ATOM 5 CB MET A 480 3.316 0.981 -0.958 1.00 30.45 C ATOM 6 CG MET A 480 2.897 2.400 -1.305 1.00 34.24 C ATOM 7 SD MET A 480 3.065 2.764 -3.063 1.00 33.54 S ATOM 8 CE MET A 480 2.355 4.407 -3.138 1.00 25.53 C ATOM 0 HA MET A 480 1.474 0.264 -1.801 1.00 22.32 H new ATOM 0 HB2 MET A 480 3.749 0.973 0.042 1.00 30.45 H new ATOM 0 HB3 MET A 480 4.099 0.663 -1.647 1.00 30.45 H new ATOM 0 HG2 MET A 480 1.861 2.552 -1.004 1.00 34.24 H new ATOM 0 HG3 MET A 480 3.502 3.103 -0.733 1.00 34.24 H new ATOM 0 HE1 MET A 480 2.387 4.771 -4.165 1.00 25.53 H new ATOM 0 HE2 MET A 480 1.320 4.372 -2.797 1.00 25.53 H new ATOM 0 HE3 MET A 480 2.926 5.079 -2.497 1.00 25.53 H new ATOM 18 N ALA A 481 2.162 -2.035 -2.372 1.00 30.42 N ATOM 19 CA ALA A 481 2.592 -3.367 -2.781 1.00 53.33 C ATOM 20 C ALA A 481 3.183 -3.345 -4.187 1.00 12.42 C ATOM 21 O ALA A 481 3.321 -2.284 -4.796 1.00 2.44 O ATOM 22 CB ALA A 481 1.426 -4.342 -2.712 1.00 70.01 C ATOM 0 H ALA A 481 1.422 -1.635 -2.949 1.00 30.42 H new ATOM 0 HA ALA A 481 3.370 -3.698 -2.093 1.00 53.33 H new ATOM 0 HB1 ALA A 481 1.761 -5.332 -3.020 1.00 70.01 H new ATOM 0 HB2 ALA A 481 1.050 -4.388 -1.690 1.00 70.01 H new ATOM 0 HB3 ALA A 481 0.630 -4.005 -3.377 1.00 70.01 H new ATOM 28 N ASP A 482 3.530 -4.521 -4.696 1.00 23.42 N ATOM 29 CA ASP A 482 4.107 -4.637 -6.030 1.00 74.04 C ATOM 30 C ASP A 482 3.021 -4.898 -7.070 1.00 63.41 C ATOM 31 O ASP A 482 3.073 -4.373 -8.182 1.00 53.31 O ATOM 32 CB ASP A 482 5.145 -5.760 -6.065 1.00 52.33 C ATOM 33 CG ASP A 482 6.365 -5.395 -6.888 1.00 55.24 C ATOM 34 OD1 ASP A 482 6.556 -5.997 -7.966 1.00 34.22 O ATOM 35 OD2 ASP A 482 7.128 -4.506 -6.456 1.00 34.33 O ATOM 0 H ASP A 482 3.422 -5.408 -4.205 1.00 23.42 H new ATOM 0 HA ASP A 482 4.597 -3.694 -6.271 1.00 74.04 H new ATOM 0 HB2 ASP A 482 5.455 -5.997 -5.047 1.00 52.33 H new ATOM 0 HB3 ASP A 482 4.689 -6.660 -6.477 1.00 52.33 H new ATOM 40 N VAL A 483 2.040 -5.715 -6.701 1.00 73.31 N ATOM 41 CA VAL A 483 0.942 -6.047 -7.601 1.00 51.14 C ATOM 42 C VAL A 483 -0.404 -5.920 -6.897 1.00 11.30 C ATOM 43 O VAL A 483 -1.378 -5.443 -7.478 1.00 0.53 O ATOM 44 CB VAL A 483 1.085 -7.476 -8.158 1.00 54.11 C ATOM 45 CG1 VAL A 483 1.222 -8.480 -7.024 1.00 4.23 C ATOM 46 CG2 VAL A 483 -0.101 -7.822 -9.046 1.00 61.13 C ATOM 0 H VAL A 483 1.983 -6.159 -5.785 1.00 73.31 H new ATOM 0 HA VAL A 483 0.985 -5.337 -8.427 1.00 51.14 H new ATOM 0 HB VAL A 483 1.990 -7.522 -8.764 1.00 54.11 H new ATOM 0 HG11 VAL A 483 1.322 -9.484 -7.437 1.00 4.23 H new ATOM 0 HG12 VAL A 483 2.105 -8.242 -6.432 1.00 4.23 H new ATOM 0 HG13 VAL A 483 0.337 -8.435 -6.389 1.00 4.23 H new ATOM 0 HG21 VAL A 483 0.016 -8.835 -9.431 1.00 61.13 H new ATOM 0 HG22 VAL A 483 -1.021 -7.759 -8.465 1.00 61.13 H new ATOM 0 HG23 VAL A 483 -0.149 -7.120 -9.879 1.00 61.13 H new ATOM 56 N GLY A 484 -0.451 -6.350 -5.640 1.00 31.23 N ATOM 57 CA GLY A 484 -1.683 -6.276 -4.876 1.00 4.44 C ATOM 58 C GLY A 484 -2.126 -7.629 -4.356 1.00 65.03 C ATOM 59 O GLY A 484 -3.318 -7.869 -4.169 1.00 33.52 O ATOM 0 H GLY A 484 0.342 -6.748 -5.137 1.00 31.23 H new ATOM 0 HA2 GLY A 484 -1.545 -5.595 -4.036 1.00 4.44 H new ATOM 0 HA3 GLY A 484 -2.470 -5.855 -5.502 1.00 4.44 H new ATOM 63 N ASP A 485 -1.164 -8.516 -4.125 1.00 2.42 N ATOM 64 CA ASP A 485 -1.461 -9.853 -3.625 1.00 1.14 C ATOM 65 C ASP A 485 -2.342 -9.785 -2.381 1.00 4.51 C ATOM 66 O ASP A 485 -1.864 -9.490 -1.286 1.00 21.13 O ATOM 67 CB ASP A 485 -0.165 -10.601 -3.307 1.00 34.22 C ATOM 68 CG ASP A 485 -0.288 -12.095 -3.537 1.00 41.43 C ATOM 69 OD1 ASP A 485 -1.022 -12.755 -2.773 1.00 14.02 O ATOM 70 OD2 ASP A 485 0.350 -12.603 -4.483 1.00 0.23 O ATOM 0 H ASP A 485 -0.172 -8.333 -4.276 1.00 2.42 H new ATOM 0 HA ASP A 485 -2.002 -10.393 -4.402 1.00 1.14 H new ATOM 0 HB2 ASP A 485 0.640 -10.206 -3.926 1.00 34.22 H new ATOM 0 HB3 ASP A 485 0.112 -10.418 -2.269 1.00 34.22 H new ATOM 75 N MET A 486 -3.630 -10.058 -2.559 1.00 11.52 N ATOM 76 CA MET A 486 -4.577 -10.027 -1.450 1.00 74.05 C ATOM 77 C MET A 486 -5.254 -11.383 -1.276 1.00 52.12 C ATOM 78 O MET A 486 -5.916 -11.877 -2.188 1.00 72.13 O ATOM 79 CB MET A 486 -5.632 -8.944 -1.683 1.00 12.52 C ATOM 80 CG MET A 486 -6.065 -8.234 -0.410 1.00 73.11 C ATOM 81 SD MET A 486 -6.044 -6.439 -0.574 1.00 41.41 S ATOM 82 CE MET A 486 -7.016 -6.223 -2.063 1.00 63.11 C ATOM 0 H MET A 486 -4.042 -10.303 -3.459 1.00 11.52 H new ATOM 0 HA MET A 486 -4.025 -9.796 -0.539 1.00 74.05 H new ATOM 0 HB2 MET A 486 -5.237 -8.208 -2.383 1.00 12.52 H new ATOM 0 HB3 MET A 486 -6.506 -9.395 -2.153 1.00 12.52 H new ATOM 0 HG2 MET A 486 -7.070 -8.559 -0.142 1.00 73.11 H new ATOM 0 HG3 MET A 486 -5.406 -8.528 0.407 1.00 73.11 H new ATOM 0 HE1 MET A 486 -7.537 -5.267 -2.022 1.00 63.11 H new ATOM 0 HE2 MET A 486 -6.359 -6.241 -2.932 1.00 63.11 H new ATOM 0 HE3 MET A 486 -7.745 -7.030 -2.142 1.00 63.11 H new ATOM 92 N GLN A 487 -5.083 -11.978 -0.100 1.00 63.13 N ATOM 93 CA GLN A 487 -5.677 -13.277 0.191 1.00 22.44 C ATOM 94 C GLN A 487 -5.950 -13.428 1.684 1.00 21.23 C ATOM 95 O GLN A 487 -5.584 -12.565 2.483 1.00 21.35 O ATOM 96 CB GLN A 487 -4.756 -14.402 -0.287 1.00 12.42 C ATOM 97 CG GLN A 487 -4.371 -14.290 -1.753 1.00 4.00 C ATOM 98 CD GLN A 487 -3.462 -15.416 -2.205 1.00 31.32 C ATOM 99 OE1 GLN A 487 -2.671 -15.943 -1.422 1.00 45.23 O ATOM 100 NE2 GLN A 487 -3.571 -15.793 -3.474 1.00 15.44 N ATOM 0 H GLN A 487 -4.538 -11.582 0.666 1.00 63.13 H new ATOM 0 HA GLN A 487 -6.625 -13.342 -0.342 1.00 22.44 H new ATOM 0 HB2 GLN A 487 -3.850 -14.401 0.319 1.00 12.42 H new ATOM 0 HB3 GLN A 487 -5.250 -15.360 -0.121 1.00 12.42 H new ATOM 0 HG2 GLN A 487 -5.274 -14.290 -2.363 1.00 4.00 H new ATOM 0 HG3 GLN A 487 -3.872 -13.336 -1.922 1.00 4.00 H new ATOM 0 HE21 GLN A 487 -4.240 -15.329 -4.088 1.00 15.44 H new ATOM 0 HE22 GLN A 487 -2.986 -16.547 -3.834 1.00 15.44 H new ATOM 109 N LEU A 488 -6.595 -14.529 2.054 1.00 13.22 N ATOM 110 CA LEU A 488 -6.918 -14.793 3.452 1.00 33.01 C ATOM 111 C LEU A 488 -6.210 -16.051 3.946 1.00 15.42 C ATOM 112 O LEU A 488 -6.566 -17.166 3.564 1.00 3.12 O ATOM 113 CB LEU A 488 -8.431 -14.943 3.627 1.00 25.11 C ATOM 114 CG LEU A 488 -8.952 -14.861 5.062 1.00 25.13 C ATOM 115 CD1 LEU A 488 -8.732 -13.468 5.631 1.00 14.20 C ATOM 116 CD2 LEU A 488 -10.425 -15.236 5.117 1.00 54.32 C ATOM 0 H LEU A 488 -6.905 -15.253 1.406 1.00 13.22 H new ATOM 0 HA LEU A 488 -6.572 -13.947 4.046 1.00 33.01 H new ATOM 0 HB2 LEU A 488 -8.923 -14.169 3.038 1.00 25.11 H new ATOM 0 HB3 LEU A 488 -8.732 -15.903 3.207 1.00 25.11 H new ATOM 0 HG LEU A 488 -8.394 -15.572 5.672 1.00 25.13 H new ATOM 0 HD11 LEU A 488 -9.109 -13.429 6.653 1.00 14.20 H new ATOM 0 HD12 LEU A 488 -7.667 -13.238 5.628 1.00 14.20 H new ATOM 0 HD13 LEU A 488 -9.263 -12.738 5.020 1.00 14.20 H new ATOM 0 HD21 LEU A 488 -10.779 -15.172 6.146 1.00 54.32 H new ATOM 0 HD22 LEU A 488 -10.998 -14.551 4.493 1.00 54.32 H new ATOM 0 HD23 LEU A 488 -10.555 -16.255 4.751 1.00 54.32 H new ATOM 128 N TYR A 489 -5.209 -15.863 4.799 1.00 72.23 N ATOM 129 CA TYR A 489 -4.451 -16.982 5.345 1.00 32.34 C ATOM 130 C TYR A 489 -4.861 -17.265 6.788 1.00 44.14 C ATOM 131 O TYR A 489 -4.672 -16.431 7.673 1.00 2.31 O ATOM 132 CB TYR A 489 -2.951 -16.691 5.277 1.00 71.40 C ATOM 133 CG TYR A 489 -2.503 -16.129 3.947 1.00 74.13 C ATOM 134 CD1 TYR A 489 -2.600 -14.769 3.677 1.00 22.34 C ATOM 135 CD2 TYR A 489 -1.985 -16.957 2.959 1.00 70.30 C ATOM 136 CE1 TYR A 489 -2.193 -14.251 2.463 1.00 23.02 C ATOM 137 CE2 TYR A 489 -1.574 -16.448 1.743 1.00 51.44 C ATOM 138 CZ TYR A 489 -1.680 -15.094 1.499 1.00 31.04 C ATOM 139 OH TYR A 489 -1.273 -14.583 0.288 1.00 12.44 O ATOM 0 H TYR A 489 -4.904 -14.947 5.127 1.00 72.23 H new ATOM 0 HA TYR A 489 -4.670 -17.864 4.744 1.00 32.34 H new ATOM 0 HB2 TYR A 489 -2.690 -15.986 6.066 1.00 71.40 H new ATOM 0 HB3 TYR A 489 -2.402 -17.611 5.477 1.00 71.40 H new ATOM 0 HD1 TYR A 489 -3.001 -14.106 4.429 1.00 22.34 H new ATOM 0 HD2 TYR A 489 -1.902 -18.018 3.145 1.00 70.30 H new ATOM 0 HE1 TYR A 489 -2.276 -13.192 2.269 1.00 23.02 H new ATOM 0 HE2 TYR A 489 -1.172 -17.106 0.987 1.00 51.44 H new ATOM 0 HH TYR A 489 -1.585 -15.167 -0.435 1.00 12.44 H new ATOM 149 N ARG A 490 -5.422 -18.448 7.015 1.00 1.15 N ATOM 150 CA ARG A 490 -5.859 -18.842 8.349 1.00 0.14 C ATOM 151 C ARG A 490 -4.836 -19.765 9.006 1.00 15.31 C ATOM 152 O ARG A 490 -4.386 -20.738 8.401 1.00 3.11 O ATOM 153 CB ARG A 490 -7.219 -19.538 8.278 1.00 31.45 C ATOM 154 CG ARG A 490 -7.180 -20.881 7.567 1.00 44.23 C ATOM 155 CD ARG A 490 -7.153 -22.035 8.556 1.00 25.40 C ATOM 156 NE ARG A 490 -8.495 -22.505 8.886 1.00 74.44 N ATOM 157 CZ ARG A 490 -9.203 -23.315 8.105 1.00 1.32 C ATOM 158 NH1 ARG A 490 -8.698 -23.742 6.956 1.00 3.02 N ATOM 159 NH2 ARG A 490 -10.418 -23.699 8.474 1.00 54.31 N ATOM 0 H ARG A 490 -5.585 -19.150 6.293 1.00 1.15 H new ATOM 0 HA ARG A 490 -5.951 -17.941 8.955 1.00 0.14 H new ATOM 0 HB2 ARG A 490 -7.597 -19.683 9.290 1.00 31.45 H new ATOM 0 HB3 ARG A 490 -7.925 -18.885 7.765 1.00 31.45 H new ATOM 0 HG2 ARG A 490 -8.051 -20.976 6.919 1.00 44.23 H new ATOM 0 HG3 ARG A 490 -6.300 -20.929 6.926 1.00 44.23 H new ATOM 0 HD2 ARG A 490 -6.574 -22.858 8.137 1.00 25.40 H new ATOM 0 HD3 ARG A 490 -6.645 -21.719 9.467 1.00 25.40 H new ATOM 0 HE ARG A 490 -8.912 -22.195 9.764 1.00 74.44 H new ATOM 0 HH11 ARG A 490 -7.764 -23.449 6.669 1.00 3.02 H new ATOM 0 HH12 ARG A 490 -9.243 -24.363 6.359 1.00 3.02 H new ATOM 0 HH21 ARG A 490 -10.810 -23.373 9.358 1.00 54.31 H new ATOM 0 HH22 ARG A 490 -10.961 -24.320 7.874 1.00 54.31 H new ATOM 173 N ILE A 491 -4.475 -19.452 10.246 1.00 52.12 N ATOM 174 CA ILE A 491 -3.507 -20.253 10.984 1.00 62.10 C ATOM 175 C ILE A 491 -4.204 -21.210 11.945 1.00 61.32 C ATOM 176 O ILE A 491 -5.388 -21.055 12.240 1.00 74.32 O ATOM 177 CB ILE A 491 -2.531 -19.366 11.779 1.00 11.40 C ATOM 178 CG1 ILE A 491 -3.281 -18.589 12.863 1.00 34.10 C ATOM 179 CG2 ILE A 491 -1.802 -18.411 10.845 1.00 61.50 C ATOM 180 CD1 ILE A 491 -2.374 -17.790 13.772 1.00 42.24 C ATOM 0 H ILE A 491 -4.838 -18.650 10.760 1.00 52.12 H new ATOM 0 HA ILE A 491 -2.945 -20.827 10.247 1.00 62.10 H new ATOM 0 HB ILE A 491 -1.793 -20.006 12.262 1.00 11.40 H new ATOM 0 HG12 ILE A 491 -3.992 -17.913 12.388 1.00 34.10 H new ATOM 0 HG13 ILE A 491 -3.860 -19.289 13.465 1.00 34.10 H new ATOM 0 HG21 ILE A 491 -1.116 -17.791 11.422 1.00 61.50 H new ATOM 0 HG22 ILE A 491 -1.241 -18.983 10.106 1.00 61.50 H new ATOM 0 HG23 ILE A 491 -2.527 -17.775 10.337 1.00 61.50 H new ATOM 0 HD11 ILE A 491 -2.974 -17.265 14.515 1.00 42.24 H new ATOM 0 HD12 ILE A 491 -1.679 -18.462 14.275 1.00 42.24 H new ATOM 0 HD13 ILE A 491 -1.814 -17.065 13.181 1.00 42.24 H new ATOM 192 N GLU A 492 -3.460 -22.199 12.431 1.00 45.22 N ATOM 193 CA GLU A 492 -4.007 -23.181 13.360 1.00 43.43 C ATOM 194 C GLU A 492 -3.742 -22.769 14.805 1.00 25.00 C ATOM 195 O GLU A 492 -3.313 -23.581 15.625 1.00 33.21 O ATOM 196 CB GLU A 492 -3.403 -24.561 13.092 1.00 42.20 C ATOM 197 CG GLU A 492 -4.211 -25.704 13.683 1.00 41.20 C ATOM 198 CD GLU A 492 -3.533 -27.049 13.508 1.00 11.11 C ATOM 199 OE1 GLU A 492 -2.630 -27.366 14.310 1.00 31.35 O ATOM 200 OE2 GLU A 492 -3.905 -27.784 12.570 1.00 41.35 O ATOM 0 H GLU A 492 -2.477 -22.341 12.197 1.00 45.22 H new ATOM 0 HA GLU A 492 -5.085 -23.228 13.206 1.00 43.43 H new ATOM 0 HB2 GLU A 492 -3.316 -24.707 12.015 1.00 42.20 H new ATOM 0 HB3 GLU A 492 -2.393 -24.592 13.501 1.00 42.20 H new ATOM 0 HG2 GLU A 492 -4.373 -25.518 14.745 1.00 41.20 H new ATOM 0 HG3 GLU A 492 -5.193 -25.732 13.211 1.00 41.20 H new ATOM 207 N VAL A 493 -3.999 -21.501 15.110 1.00 43.13 N ATOM 208 CA VAL A 493 -3.789 -20.980 16.455 1.00 22.33 C ATOM 209 C VAL A 493 -4.874 -19.978 16.832 1.00 2.31 C ATOM 210 O VAL A 493 -5.336 -19.203 15.995 1.00 24.14 O ATOM 211 CB VAL A 493 -2.412 -20.303 16.587 1.00 64.33 C ATOM 212 CG1 VAL A 493 -2.035 -20.138 18.051 1.00 12.12 C ATOM 213 CG2 VAL A 493 -1.352 -21.102 15.842 1.00 35.34 C ATOM 0 H VAL A 493 -4.353 -20.815 14.443 1.00 43.13 H new ATOM 0 HA VAL A 493 -3.833 -21.832 17.134 1.00 22.33 H new ATOM 0 HB VAL A 493 -2.470 -19.311 16.138 1.00 64.33 H new ATOM 0 HG11 VAL A 493 -1.059 -19.658 18.124 1.00 12.12 H new ATOM 0 HG12 VAL A 493 -2.781 -19.521 18.552 1.00 12.12 H new ATOM 0 HG13 VAL A 493 -1.994 -21.117 18.529 1.00 12.12 H new ATOM 0 HG21 VAL A 493 -0.385 -20.609 15.946 1.00 35.34 H new ATOM 0 HG22 VAL A 493 -1.294 -22.107 16.260 1.00 35.34 H new ATOM 0 HG23 VAL A 493 -1.617 -21.162 14.786 1.00 35.34 H new ATOM 223 N GLY A 494 -5.277 -19.998 18.099 1.00 3.02 N ATOM 224 CA GLY A 494 -6.304 -19.086 18.565 1.00 15.34 C ATOM 225 C GLY A 494 -6.159 -18.752 20.037 1.00 53.11 C ATOM 226 O GLY A 494 -5.157 -19.097 20.663 1.00 61.34 O ATOM 0 H GLY A 494 -4.910 -20.630 18.811 1.00 3.02 H new ATOM 0 HA2 GLY A 494 -6.261 -18.167 17.981 1.00 15.34 H new ATOM 0 HA3 GLY A 494 -7.285 -19.529 18.391 1.00 15.34 H new ATOM 230 N ARG A 495 -7.161 -18.077 20.591 1.00 53.04 N ATOM 231 CA ARG A 495 -7.139 -17.694 21.997 1.00 13.31 C ATOM 232 C ARG A 495 -6.871 -18.904 22.886 1.00 33.43 C ATOM 233 O ARG A 495 -6.087 -18.831 23.832 1.00 4.11 O ATOM 234 CB ARG A 495 -8.466 -17.042 22.391 1.00 71.01 C ATOM 235 CG ARG A 495 -9.687 -17.834 21.953 1.00 53.33 C ATOM 236 CD ARG A 495 -10.977 -17.151 22.381 1.00 21.34 C ATOM 237 NE ARG A 495 -12.156 -17.815 21.832 1.00 31.13 N ATOM 238 CZ ARG A 495 -13.353 -17.244 21.759 1.00 73.34 C ATOM 239 NH1 ARG A 495 -13.529 -16.005 22.196 1.00 24.13 N ATOM 240 NH2 ARG A 495 -14.378 -17.913 21.246 1.00 71.14 N ATOM 0 H ARG A 495 -7.998 -17.784 20.087 1.00 53.04 H new ATOM 0 HA ARG A 495 -6.332 -16.975 22.139 1.00 13.31 H new ATOM 0 HB2 ARG A 495 -8.493 -16.918 23.474 1.00 71.01 H new ATOM 0 HB3 ARG A 495 -8.515 -16.044 21.955 1.00 71.01 H new ATOM 0 HG2 ARG A 495 -9.677 -17.950 20.869 1.00 53.33 H new ATOM 0 HG3 ARG A 495 -9.645 -18.836 22.381 1.00 53.33 H new ATOM 0 HD2 ARG A 495 -11.039 -17.143 23.469 1.00 21.34 H new ATOM 0 HD3 ARG A 495 -10.962 -16.111 22.055 1.00 21.34 H new ATOM 0 HE ARG A 495 -12.055 -18.769 21.486 1.00 31.13 H new ATOM 0 HH11 ARG A 495 -12.744 -15.487 22.590 1.00 24.13 H new ATOM 0 HH12 ARG A 495 -14.450 -15.570 22.138 1.00 24.13 H new ATOM 0 HH21 ARG A 495 -14.247 -18.866 20.908 1.00 71.14 H new ATOM 0 HH22 ARG A 495 -15.297 -17.474 21.190 1.00 71.14 H new ATOM 254 N ASP A 496 -7.528 -20.017 22.576 1.00 14.54 N ATOM 255 CA ASP A 496 -7.361 -21.243 23.347 1.00 70.44 C ATOM 256 C ASP A 496 -5.913 -21.721 23.300 1.00 1.13 C ATOM 257 O ASP A 496 -5.478 -22.498 24.150 1.00 63.41 O ATOM 258 CB ASP A 496 -8.289 -22.336 22.813 1.00 23.33 C ATOM 259 CG ASP A 496 -8.731 -23.300 23.897 1.00 64.22 C ATOM 260 OD1 ASP A 496 -8.979 -22.843 25.032 1.00 63.12 O ATOM 261 OD2 ASP A 496 -8.827 -24.512 23.610 1.00 74.11 O ATOM 0 H ASP A 496 -8.181 -20.095 21.796 1.00 14.54 H new ATOM 0 HA ASP A 496 -7.621 -21.030 24.384 1.00 70.44 H new ATOM 0 HB2 ASP A 496 -9.167 -21.874 22.361 1.00 23.33 H new ATOM 0 HB3 ASP A 496 -7.778 -22.889 22.025 1.00 23.33 H new ATOM 266 N ASP A 497 -5.172 -21.251 22.302 1.00 33.25 N ATOM 267 CA ASP A 497 -3.773 -21.630 22.145 1.00 41.00 C ATOM 268 C ASP A 497 -2.855 -20.604 22.803 1.00 60.33 C ATOM 269 O ASP A 497 -1.865 -20.961 23.441 1.00 53.23 O ATOM 270 CB ASP A 497 -3.424 -21.769 20.662 1.00 3.34 C ATOM 271 CG ASP A 497 -2.162 -22.579 20.438 1.00 10.11 C ATOM 272 OD1 ASP A 497 -1.105 -22.191 20.977 1.00 3.20 O ATOM 273 OD2 ASP A 497 -2.232 -23.600 19.723 1.00 62.51 O ATOM 0 H ASP A 497 -5.517 -20.607 21.590 1.00 33.25 H new ATOM 0 HA ASP A 497 -3.625 -22.591 22.637 1.00 41.00 H new ATOM 0 HB2 ASP A 497 -4.254 -22.243 20.139 1.00 3.34 H new ATOM 0 HB3 ASP A 497 -3.298 -20.778 20.227 1.00 3.34 H new ATOM 278 N GLY A 498 -3.190 -19.328 22.641 1.00 13.24 N ATOM 279 CA GLY A 498 -2.386 -18.270 23.224 1.00 25.00 C ATOM 280 C GLY A 498 -2.142 -17.128 22.258 1.00 43.22 C ATOM 281 O GLY A 498 -1.066 -16.529 22.251 1.00 30.24 O ATOM 0 H GLY A 498 -4.004 -19.008 22.116 1.00 13.24 H new ATOM 0 HA2 GLY A 498 -2.885 -17.888 24.115 1.00 25.00 H new ATOM 0 HA3 GLY A 498 -1.429 -18.681 23.546 1.00 25.00 H new ATOM 285 N VAL A 499 -3.143 -16.825 21.437 1.00 23.01 N ATOM 286 CA VAL A 499 -3.032 -15.747 20.461 1.00 21.34 C ATOM 287 C VAL A 499 -4.288 -14.884 20.452 1.00 51.53 C ATOM 288 O VAL A 499 -5.386 -15.366 20.727 1.00 53.43 O ATOM 289 CB VAL A 499 -2.789 -16.297 19.043 1.00 12.02 C ATOM 290 CG1 VAL A 499 -4.104 -16.707 18.397 1.00 22.31 C ATOM 291 CG2 VAL A 499 -2.065 -15.267 18.190 1.00 41.13 C ATOM 0 H VAL A 499 -4.040 -17.311 21.428 1.00 23.01 H new ATOM 0 HA VAL A 499 -2.178 -15.138 20.757 1.00 21.34 H new ATOM 0 HB VAL A 499 -2.157 -17.182 19.118 1.00 12.02 H new ATOM 0 HG11 VAL A 499 -3.913 -17.093 17.396 1.00 22.31 H new ATOM 0 HG12 VAL A 499 -4.580 -17.481 19.000 1.00 22.31 H new ATOM 0 HG13 VAL A 499 -4.763 -15.841 18.332 1.00 22.31 H new ATOM 0 HG21 VAL A 499 -1.901 -15.672 17.191 1.00 41.13 H new ATOM 0 HG22 VAL A 499 -2.669 -14.363 18.120 1.00 41.13 H new ATOM 0 HG23 VAL A 499 -1.105 -15.027 18.646 1.00 41.13 H new ATOM 301 N GLU A 500 -4.118 -13.604 20.133 1.00 63.34 N ATOM 302 CA GLU A 500 -5.239 -12.673 20.088 1.00 62.05 C ATOM 303 C GLU A 500 -5.276 -11.931 18.755 1.00 55.04 C ATOM 304 O GLU A 500 -4.522 -12.246 17.834 1.00 21.03 O ATOM 305 CB GLU A 500 -5.144 -11.670 21.239 1.00 34.35 C ATOM 306 CG GLU A 500 -4.738 -12.299 22.562 1.00 45.24 C ATOM 307 CD GLU A 500 -5.673 -13.413 22.990 1.00 1.45 C ATOM 308 OE1 GLU A 500 -6.872 -13.344 22.648 1.00 12.13 O ATOM 309 OE2 GLU A 500 -5.207 -14.352 23.668 1.00 64.00 O ATOM 0 H GLU A 500 -3.215 -13.189 19.902 1.00 63.34 H new ATOM 0 HA GLU A 500 -6.160 -13.247 20.191 1.00 62.05 H new ATOM 0 HB2 GLU A 500 -4.422 -10.897 20.977 1.00 34.35 H new ATOM 0 HB3 GLU A 500 -6.109 -11.177 21.361 1.00 34.35 H new ATOM 0 HG2 GLU A 500 -3.725 -12.693 22.477 1.00 45.24 H new ATOM 0 HG3 GLU A 500 -4.718 -11.530 23.334 1.00 45.24 H new ATOM 316 N VAL A 501 -6.161 -10.943 18.659 1.00 72.55 N ATOM 317 CA VAL A 501 -6.298 -10.156 17.439 1.00 0.44 C ATOM 318 C VAL A 501 -5.163 -9.147 17.307 1.00 41.51 C ATOM 319 O VAL A 501 -4.747 -8.807 16.199 1.00 23.02 O ATOM 320 CB VAL A 501 -7.643 -9.406 17.404 1.00 71.15 C ATOM 321 CG1 VAL A 501 -7.749 -8.559 16.145 1.00 51.22 C ATOM 322 CG2 VAL A 501 -8.802 -10.388 17.495 1.00 41.54 C ATOM 0 H VAL A 501 -6.793 -10.669 19.411 1.00 72.55 H new ATOM 0 HA VAL A 501 -6.258 -10.855 16.604 1.00 0.44 H new ATOM 0 HB VAL A 501 -7.691 -8.741 18.266 1.00 71.15 H new ATOM 0 HG11 VAL A 501 -8.706 -8.037 16.137 1.00 51.22 H new ATOM 0 HG12 VAL A 501 -6.938 -7.831 16.127 1.00 51.22 H new ATOM 0 HG13 VAL A 501 -7.680 -9.202 15.267 1.00 51.22 H new ATOM 0 HG21 VAL A 501 -9.745 -9.842 17.469 1.00 41.54 H new ATOM 0 HG22 VAL A 501 -8.760 -11.079 16.653 1.00 41.54 H new ATOM 0 HG23 VAL A 501 -8.733 -10.947 18.428 1.00 41.54 H new ATOM 332 N ARG A 502 -4.666 -8.671 18.444 1.00 43.21 N ATOM 333 CA ARG A 502 -3.578 -7.700 18.455 1.00 15.42 C ATOM 334 C ARG A 502 -2.223 -8.400 18.446 1.00 71.53 C ATOM 335 O ARG A 502 -1.177 -7.752 18.404 1.00 52.12 O ATOM 336 CB ARG A 502 -3.688 -6.794 19.683 1.00 23.14 C ATOM 337 CG ARG A 502 -3.715 -7.554 21.000 1.00 41.24 C ATOM 338 CD ARG A 502 -3.435 -6.635 22.179 1.00 74.22 C ATOM 339 NE ARG A 502 -3.923 -7.195 23.437 1.00 65.55 N ATOM 340 CZ ARG A 502 -4.127 -6.473 24.533 1.00 63.35 C ATOM 341 NH1 ARG A 502 -3.888 -5.169 24.525 1.00 24.22 N ATOM 342 NH2 ARG A 502 -4.572 -7.055 25.639 1.00 65.42 N ATOM 0 H ARG A 502 -4.999 -8.942 19.369 1.00 43.21 H new ATOM 0 HA ARG A 502 -3.658 -7.092 17.554 1.00 15.42 H new ATOM 0 HB2 ARG A 502 -2.846 -6.102 19.690 1.00 23.14 H new ATOM 0 HB3 ARG A 502 -4.594 -6.193 19.601 1.00 23.14 H new ATOM 0 HG2 ARG A 502 -4.689 -8.027 21.129 1.00 41.24 H new ATOM 0 HG3 ARG A 502 -2.974 -8.353 20.976 1.00 41.24 H new ATOM 0 HD2 ARG A 502 -2.362 -6.457 22.253 1.00 74.22 H new ATOM 0 HD3 ARG A 502 -3.907 -5.668 22.005 1.00 74.22 H new ATOM 0 HE ARG A 502 -4.118 -8.195 23.476 1.00 65.55 H new ATOM 0 HH11 ARG A 502 -3.547 -4.718 23.676 1.00 24.22 H new ATOM 0 HH12 ARG A 502 -4.045 -4.616 25.368 1.00 24.22 H new ATOM 0 HH21 ARG A 502 -4.758 -8.058 25.648 1.00 65.42 H new ATOM 0 HH22 ARG A 502 -4.728 -6.500 26.480 1.00 65.42 H new ATOM 356 N HIS A 503 -2.249 -9.729 18.485 1.00 14.13 N ATOM 357 CA HIS A 503 -1.023 -10.518 18.481 1.00 22.32 C ATOM 358 C HIS A 503 -0.517 -10.728 17.057 1.00 22.43 C ATOM 359 O HIS A 503 0.614 -10.367 16.731 1.00 41.33 O ATOM 360 CB HIS A 503 -1.259 -11.870 19.156 1.00 41.03 C ATOM 361 CG HIS A 503 -0.032 -12.443 19.795 1.00 4.32 C ATOM 362 ND1 HIS A 503 -0.077 -13.342 20.839 1.00 31.33 N ATOM 363 CD2 HIS A 503 1.281 -12.240 19.532 1.00 75.43 C ATOM 364 CE1 HIS A 503 1.154 -13.667 21.191 1.00 20.34 C ATOM 365 NE2 HIS A 503 1.997 -13.013 20.413 1.00 54.40 N ATOM 0 H HIS A 503 -3.106 -10.281 18.520 1.00 14.13 H new ATOM 0 HA HIS A 503 -0.265 -9.969 19.040 1.00 22.32 H new ATOM 0 HB2 HIS A 503 -2.035 -11.758 19.914 1.00 41.03 H new ATOM 0 HB3 HIS A 503 -1.636 -12.575 18.416 1.00 41.03 H new ATOM 0 HD2 HIS A 503 1.689 -11.591 18.771 1.00 75.43 H new ATOM 0 HE1 HIS A 503 1.425 -14.352 21.981 1.00 20.34 H new ATOM 0 HE2 HIS A 503 3.014 -13.072 20.459 1.00 54.40 H new ATOM 373 N ILE A 504 -1.361 -11.315 16.215 1.00 24.33 N ATOM 374 CA ILE A 504 -0.998 -11.573 14.827 1.00 14.11 C ATOM 375 C ILE A 504 -0.915 -10.275 14.031 1.00 64.01 C ATOM 376 O ILE A 504 -0.205 -10.194 13.028 1.00 2.34 O ATOM 377 CB ILE A 504 -2.009 -12.515 14.147 1.00 54.21 C ATOM 378 CG1 ILE A 504 -3.279 -11.749 13.769 1.00 2.21 C ATOM 379 CG2 ILE A 504 -2.342 -13.684 15.062 1.00 72.13 C ATOM 380 CD1 ILE A 504 -4.122 -11.352 14.960 1.00 11.44 C ATOM 0 H ILE A 504 -2.300 -11.621 16.470 1.00 24.33 H new ATOM 0 HA ILE A 504 -0.019 -12.052 14.840 1.00 14.11 H new ATOM 0 HB ILE A 504 -1.560 -12.909 13.235 1.00 54.21 H new ATOM 0 HG12 ILE A 504 -3.001 -10.852 13.215 1.00 2.21 H new ATOM 0 HG13 ILE A 504 -3.879 -12.364 13.099 1.00 2.21 H new ATOM 0 HG21 ILE A 504 -3.058 -14.341 14.567 1.00 72.13 H new ATOM 0 HG22 ILE A 504 -1.432 -14.241 15.286 1.00 72.13 H new ATOM 0 HG23 ILE A 504 -2.775 -13.308 15.989 1.00 72.13 H new ATOM 0 HD11 ILE A 504 -5.005 -10.813 14.617 1.00 11.44 H new ATOM 0 HD12 ILE A 504 -4.430 -12.246 15.502 1.00 11.44 H new ATOM 0 HD13 ILE A 504 -3.539 -10.710 15.621 1.00 11.44 H new ATOM 392 N VAL A 505 -1.643 -9.260 14.485 1.00 32.33 N ATOM 393 CA VAL A 505 -1.649 -7.964 13.818 1.00 73.25 C ATOM 394 C VAL A 505 -0.415 -7.150 14.187 1.00 1.54 C ATOM 395 O VAL A 505 0.360 -6.748 13.320 1.00 31.51 O ATOM 396 CB VAL A 505 -2.911 -7.155 14.174 1.00 64.20 C ATOM 397 CG1 VAL A 505 -2.780 -5.720 13.688 1.00 45.20 C ATOM 398 CG2 VAL A 505 -4.149 -7.814 13.587 1.00 75.51 C ATOM 0 H VAL A 505 -2.237 -9.311 15.313 1.00 32.33 H new ATOM 0 HA VAL A 505 -1.643 -8.160 12.746 1.00 73.25 H new ATOM 0 HB VAL A 505 -3.016 -7.138 15.259 1.00 64.20 H new ATOM 0 HG11 VAL A 505 -3.681 -5.164 13.948 1.00 45.20 H new ATOM 0 HG12 VAL A 505 -1.916 -5.253 14.161 1.00 45.20 H new ATOM 0 HG13 VAL A 505 -2.649 -5.713 12.606 1.00 45.20 H new ATOM 0 HG21 VAL A 505 -5.031 -7.229 13.848 1.00 75.51 H new ATOM 0 HG22 VAL A 505 -4.055 -7.864 12.502 1.00 75.51 H new ATOM 0 HG23 VAL A 505 -4.250 -8.822 13.989 1.00 75.51 H new ATOM 408 N GLY A 506 -0.238 -6.909 15.483 1.00 2.50 N ATOM 409 CA GLY A 506 0.905 -6.143 15.946 1.00 51.13 C ATOM 410 C GLY A 506 2.225 -6.773 15.547 1.00 53.31 C ATOM 411 O GLY A 506 3.256 -6.102 15.517 1.00 21.11 O ATOM 0 H GLY A 506 -0.865 -7.230 16.220 1.00 2.50 H new ATOM 0 HA2 GLY A 506 0.850 -5.133 15.540 1.00 51.13 H new ATOM 0 HA3 GLY A 506 0.862 -6.053 17.031 1.00 51.13 H new ATOM 415 N ALA A 507 2.193 -8.066 15.241 1.00 1.32 N ATOM 416 CA ALA A 507 3.396 -8.786 14.842 1.00 11.12 C ATOM 417 C ALA A 507 3.819 -8.406 13.427 1.00 22.23 C ATOM 418 O ALA A 507 4.923 -7.904 13.213 1.00 11.25 O ATOM 419 CB ALA A 507 3.170 -10.287 14.943 1.00 72.24 C ATOM 0 H ALA A 507 1.347 -8.636 15.262 1.00 1.32 H new ATOM 0 HA ALA A 507 4.201 -8.505 15.521 1.00 11.12 H new ATOM 0 HB1 ALA A 507 4.076 -10.812 14.642 1.00 72.24 H new ATOM 0 HB2 ALA A 507 2.923 -10.549 15.972 1.00 72.24 H new ATOM 0 HB3 ALA A 507 2.348 -10.576 14.288 1.00 72.24 H new ATOM 425 N ILE A 508 2.936 -8.650 12.465 1.00 11.10 N ATOM 426 CA ILE A 508 3.219 -8.333 11.071 1.00 51.22 C ATOM 427 C ILE A 508 3.225 -6.825 10.840 1.00 34.51 C ATOM 428 O ILE A 508 3.936 -6.323 9.970 1.00 34.13 O ATOM 429 CB ILE A 508 2.190 -8.982 10.126 1.00 43.51 C ATOM 430 CG1 ILE A 508 0.782 -8.478 10.447 1.00 35.44 C ATOM 431 CG2 ILE A 508 2.255 -10.498 10.234 1.00 55.34 C ATOM 432 CD1 ILE A 508 0.346 -7.312 9.589 1.00 40.41 C ATOM 0 H ILE A 508 2.019 -9.066 12.625 1.00 11.10 H new ATOM 0 HA ILE A 508 4.208 -8.736 10.850 1.00 51.22 H new ATOM 0 HB ILE A 508 2.431 -8.700 9.101 1.00 43.51 H new ATOM 0 HG12 ILE A 508 0.074 -9.297 10.319 1.00 35.44 H new ATOM 0 HG13 ILE A 508 0.741 -8.182 11.495 1.00 35.44 H new ATOM 0 HG21 ILE A 508 1.522 -10.942 9.561 1.00 55.34 H new ATOM 0 HG22 ILE A 508 3.253 -10.840 9.961 1.00 55.34 H new ATOM 0 HG23 ILE A 508 2.036 -10.800 11.258 1.00 55.34 H new ATOM 0 HD11 ILE A 508 -0.662 -7.008 9.873 1.00 40.41 H new ATOM 0 HD12 ILE A 508 1.031 -6.477 9.735 1.00 40.41 H new ATOM 0 HD13 ILE A 508 0.354 -7.609 8.540 1.00 40.41 H new ATOM 444 N ALA A 509 2.428 -6.109 11.627 1.00 43.03 N ATOM 445 CA ALA A 509 2.344 -4.658 11.511 1.00 23.40 C ATOM 446 C ALA A 509 3.613 -3.992 12.033 1.00 54.32 C ATOM 447 O ALA A 509 3.956 -2.884 11.623 1.00 1.11 O ATOM 448 CB ALA A 509 1.126 -4.139 12.260 1.00 1.12 C ATOM 0 H ALA A 509 1.832 -6.510 12.351 1.00 43.03 H new ATOM 0 HA ALA A 509 2.241 -4.407 10.455 1.00 23.40 H new ATOM 0 HB1 ALA A 509 1.075 -3.054 12.165 1.00 1.12 H new ATOM 0 HB2 ALA A 509 0.224 -4.583 11.839 1.00 1.12 H new ATOM 0 HB3 ALA A 509 1.205 -4.408 13.313 1.00 1.12 H new ATOM 454 N ASN A 510 4.304 -4.674 12.940 1.00 61.22 N ATOM 455 CA ASN A 510 5.534 -4.147 13.519 1.00 44.33 C ATOM 456 C ASN A 510 6.756 -4.669 12.769 1.00 41.03 C ATOM 457 O ASN A 510 7.804 -4.025 12.746 1.00 24.15 O ATOM 458 CB ASN A 510 5.630 -4.525 14.998 1.00 32.30 C ATOM 459 CG ASN A 510 6.779 -3.829 15.700 1.00 4.21 C ATOM 460 OD1 ASN A 510 7.450 -2.975 15.120 1.00 51.22 O ATOM 461 ND2 ASN A 510 7.013 -4.192 16.956 1.00 15.31 N ATOM 0 H ASN A 510 4.033 -5.593 13.290 1.00 61.22 H new ATOM 0 HA ASN A 510 5.511 -3.061 13.430 1.00 44.33 H new ATOM 0 HB2 ASN A 510 4.695 -4.269 15.497 1.00 32.30 H new ATOM 0 HB3 ASN A 510 5.754 -5.604 15.087 1.00 32.30 H new ATOM 0 HD21 ASN A 510 7.774 -3.758 17.479 1.00 15.31 H new ATOM 0 HD22 ASN A 510 6.432 -4.904 17.398 1.00 15.31 H new ATOM 468 N GLU A 511 6.611 -5.840 12.156 1.00 45.45 N ATOM 469 CA GLU A 511 7.704 -6.448 11.405 1.00 54.12 C ATOM 470 C GLU A 511 8.034 -5.626 10.163 1.00 41.45 C ATOM 471 O GLU A 511 9.202 -5.400 9.847 1.00 75.04 O ATOM 472 CB GLU A 511 7.340 -7.878 11.001 1.00 32.31 C ATOM 473 CG GLU A 511 7.608 -8.905 12.089 1.00 44.33 C ATOM 474 CD GLU A 511 9.086 -9.060 12.392 1.00 31.13 C ATOM 475 OE1 GLU A 511 9.749 -9.874 11.716 1.00 52.10 O ATOM 476 OE2 GLU A 511 9.579 -8.367 13.307 1.00 41.13 O ATOM 0 H GLU A 511 5.749 -6.386 12.164 1.00 45.45 H new ATOM 0 HA GLU A 511 8.584 -6.472 12.048 1.00 54.12 H new ATOM 0 HB2 GLU A 511 6.284 -7.913 10.732 1.00 32.31 H new ATOM 0 HB3 GLU A 511 7.905 -8.150 10.109 1.00 32.31 H new ATOM 0 HG2 GLU A 511 7.083 -8.611 12.998 1.00 44.33 H new ATOM 0 HG3 GLU A 511 7.200 -9.868 11.783 1.00 44.33 H new ATOM 483 N GLY A 512 6.996 -5.181 9.461 1.00 40.41 N ATOM 484 CA GLY A 512 7.196 -4.389 8.261 1.00 21.11 C ATOM 485 C GLY A 512 6.554 -3.019 8.356 1.00 22.33 C ATOM 486 O GLY A 512 6.496 -2.427 9.434 1.00 31.22 O ATOM 0 H GLY A 512 6.020 -5.355 9.702 1.00 40.41 H new ATOM 0 HA2 GLY A 512 8.265 -4.274 8.079 1.00 21.11 H new ATOM 0 HA3 GLY A 512 6.783 -4.922 7.405 1.00 21.11 H new ATOM 490 N ASP A 513 6.073 -2.514 7.226 1.00 13.43 N ATOM 491 CA ASP A 513 5.432 -1.204 7.186 1.00 22.04 C ATOM 492 C ASP A 513 3.927 -1.328 7.404 1.00 64.24 C ATOM 493 O ASP A 513 3.243 -0.336 7.655 1.00 52.13 O ATOM 494 CB ASP A 513 5.712 -0.516 5.849 1.00 21.32 C ATOM 495 CG ASP A 513 6.977 0.319 5.881 1.00 31.13 C ATOM 496 OD1 ASP A 513 7.263 1.003 4.876 1.00 74.43 O ATOM 497 OD2 ASP A 513 7.681 0.290 6.912 1.00 33.42 O ATOM 0 H ASP A 513 6.114 -2.991 6.325 1.00 13.43 H new ATOM 0 HA ASP A 513 5.848 -0.599 7.991 1.00 22.04 H new ATOM 0 HB2 ASP A 513 5.798 -1.270 5.067 1.00 21.32 H new ATOM 0 HB3 ASP A 513 4.867 0.120 5.587 1.00 21.32 H new ATOM 502 N ILE A 514 3.419 -2.552 7.304 1.00 5.11 N ATOM 503 CA ILE A 514 1.996 -2.805 7.490 1.00 61.13 C ATOM 504 C ILE A 514 1.493 -2.189 8.791 1.00 41.34 C ATOM 505 O ILE A 514 2.188 -2.205 9.807 1.00 73.53 O ATOM 506 CB ILE A 514 1.689 -4.314 7.497 1.00 30.34 C ATOM 507 CG1 ILE A 514 2.136 -4.954 6.181 1.00 35.55 C ATOM 508 CG2 ILE A 514 0.205 -4.552 7.731 1.00 15.53 C ATOM 509 CD1 ILE A 514 2.419 -6.436 6.296 1.00 51.02 C ATOM 0 H ILE A 514 3.972 -3.383 7.095 1.00 5.11 H new ATOM 0 HA ILE A 514 1.481 -2.341 6.649 1.00 61.13 H new ATOM 0 HB ILE A 514 2.244 -4.779 8.312 1.00 30.34 H new ATOM 0 HG12 ILE A 514 1.363 -4.797 5.429 1.00 35.55 H new ATOM 0 HG13 ILE A 514 3.033 -4.447 5.826 1.00 35.55 H new ATOM 0 HG21 ILE A 514 0.004 -5.623 7.733 1.00 15.53 H new ATOM 0 HG22 ILE A 514 -0.085 -4.127 8.692 1.00 15.53 H new ATOM 0 HG23 ILE A 514 -0.370 -4.077 6.936 1.00 15.53 H new ATOM 0 HD11 ILE A 514 2.731 -6.823 5.326 1.00 51.02 H new ATOM 0 HD12 ILE A 514 3.213 -6.599 7.024 1.00 51.02 H new ATOM 0 HD13 ILE A 514 1.517 -6.955 6.621 1.00 51.02 H new ATOM 521 N SER A 515 0.280 -1.646 8.752 1.00 22.40 N ATOM 522 CA SER A 515 -0.316 -1.023 9.927 1.00 0.55 C ATOM 523 C SER A 515 -1.542 -1.802 10.394 1.00 65.42 C ATOM 524 O SER A 515 -2.013 -2.709 9.707 1.00 45.21 O ATOM 525 CB SER A 515 -0.705 0.425 9.621 1.00 61.02 C ATOM 526 OG SER A 515 -0.639 1.229 10.786 1.00 30.41 O ATOM 0 H SER A 515 -0.309 -1.625 7.919 1.00 22.40 H new ATOM 0 HA SER A 515 0.425 -1.032 10.726 1.00 0.55 H new ATOM 0 HB2 SER A 515 -0.040 0.830 8.858 1.00 61.02 H new ATOM 0 HB3 SER A 515 -1.715 0.455 9.212 1.00 61.02 H new ATOM 0 HG SER A 515 -0.891 2.150 10.563 1.00 30.41 H new ATOM 532 N SER A 516 -2.053 -1.443 11.567 1.00 50.33 N ATOM 533 CA SER A 516 -3.221 -2.110 12.128 1.00 35.42 C ATOM 534 C SER A 516 -4.462 -1.835 11.284 1.00 33.12 C ATOM 535 O SER A 516 -5.431 -2.594 11.319 1.00 61.11 O ATOM 536 CB SER A 516 -3.457 -1.648 13.567 1.00 22.14 C ATOM 537 OG SER A 516 -4.274 -2.567 14.271 1.00 32.21 O ATOM 0 H SER A 516 -1.676 -0.694 12.147 1.00 50.33 H new ATOM 0 HA SER A 516 -3.031 -3.183 12.125 1.00 35.42 H new ATOM 0 HB2 SER A 516 -2.501 -1.541 14.079 1.00 22.14 H new ATOM 0 HB3 SER A 516 -3.929 -0.666 13.564 1.00 22.14 H new ATOM 0 HG SER A 516 -4.408 -2.249 15.188 1.00 32.21 H new ATOM 543 N ARG A 517 -4.425 -0.744 10.527 1.00 43.32 N ATOM 544 CA ARG A 517 -5.546 -0.366 9.674 1.00 23.35 C ATOM 545 C ARG A 517 -5.334 -0.862 8.247 1.00 35.40 C ATOM 546 O ARG A 517 -6.289 -1.214 7.553 1.00 11.34 O ATOM 547 CB ARG A 517 -5.727 1.153 9.676 1.00 24.33 C ATOM 548 CG ARG A 517 -4.451 1.918 9.364 1.00 12.31 C ATOM 549 CD ARG A 517 -4.741 3.375 9.039 1.00 14.21 C ATOM 550 NE ARG A 517 -4.980 3.581 7.613 1.00 32.11 N ATOM 551 CZ ARG A 517 -5.544 4.675 7.113 1.00 64.34 C ATOM 552 NH1 ARG A 517 -5.924 5.657 7.918 1.00 24.23 N ATOM 553 NH2 ARG A 517 -5.727 4.788 5.803 1.00 14.14 N ATOM 0 H ARG A 517 -3.631 -0.105 10.487 1.00 43.32 H new ATOM 0 HA ARG A 517 -6.447 -0.832 10.073 1.00 23.35 H new ATOM 0 HB2 ARG A 517 -6.489 1.421 8.944 1.00 24.33 H new ATOM 0 HB3 ARG A 517 -6.098 1.465 10.652 1.00 24.33 H new ATOM 0 HG2 ARG A 517 -3.774 1.862 10.216 1.00 12.31 H new ATOM 0 HG3 ARG A 517 -3.942 1.450 8.521 1.00 12.31 H new ATOM 0 HD2 ARG A 517 -5.612 3.706 9.604 1.00 14.21 H new ATOM 0 HD3 ARG A 517 -3.901 3.992 9.359 1.00 14.21 H new ATOM 0 HE ARG A 517 -4.699 2.845 6.966 1.00 32.11 H new ATOM 0 HH11 ARG A 517 -5.784 5.574 8.925 1.00 24.23 H new ATOM 0 HH12 ARG A 517 -6.357 6.496 7.531 1.00 24.23 H new ATOM 0 HH21 ARG A 517 -5.435 4.035 5.180 1.00 14.14 H new ATOM 0 HH22 ARG A 517 -6.160 5.628 5.419 1.00 14.14 H new ATOM 567 N TYR A 518 -4.079 -0.888 7.815 1.00 44.31 N ATOM 568 CA TYR A 518 -3.742 -1.338 6.469 1.00 12.45 C ATOM 569 C TYR A 518 -4.199 -2.776 6.246 1.00 61.01 C ATOM 570 O TYR A 518 -4.647 -3.134 5.156 1.00 33.34 O ATOM 571 CB TYR A 518 -2.235 -1.227 6.234 1.00 1.01 C ATOM 572 CG TYR A 518 -1.873 -0.525 4.945 1.00 53.04 C ATOM 573 CD1 TYR A 518 -2.479 -0.878 3.745 1.00 21.50 C ATOM 574 CD2 TYR A 518 -0.926 0.491 4.926 1.00 63.25 C ATOM 575 CE1 TYR A 518 -2.151 -0.240 2.564 1.00 34.52 C ATOM 576 CE2 TYR A 518 -0.593 1.135 3.750 1.00 40.31 C ATOM 577 CZ TYR A 518 -1.208 0.766 2.572 1.00 53.01 C ATOM 578 OH TYR A 518 -0.879 1.405 1.398 1.00 24.44 O ATOM 0 H TYR A 518 -3.277 -0.603 8.377 1.00 44.31 H new ATOM 0 HA TYR A 518 -4.262 -0.696 5.757 1.00 12.45 H new ATOM 0 HB2 TYR A 518 -1.784 -0.691 7.069 1.00 1.01 H new ATOM 0 HB3 TYR A 518 -1.802 -2.227 6.227 1.00 1.01 H new ATOM 0 HD1 TYR A 518 -3.219 -1.665 3.735 1.00 21.50 H new ATOM 0 HD2 TYR A 518 -0.442 0.782 5.846 1.00 63.25 H new ATOM 0 HE1 TYR A 518 -2.630 -0.528 1.640 1.00 34.52 H new ATOM 0 HE2 TYR A 518 0.145 1.923 3.753 1.00 40.31 H new ATOM 0 HH TYR A 518 -0.111 0.957 0.986 1.00 24.44 H new ATOM 588 N ILE A 519 -4.082 -3.595 7.285 1.00 31.25 N ATOM 589 CA ILE A 519 -4.484 -4.994 7.204 1.00 12.13 C ATOM 590 C ILE A 519 -5.952 -5.122 6.812 1.00 51.13 C ATOM 591 O ILE A 519 -6.786 -4.312 7.214 1.00 32.13 O ATOM 592 CB ILE A 519 -4.256 -5.724 8.541 1.00 14.32 C ATOM 593 CG1 ILE A 519 -2.779 -5.662 8.936 1.00 54.21 C ATOM 594 CG2 ILE A 519 -4.724 -7.168 8.443 1.00 61.14 C ATOM 595 CD1 ILE A 519 -2.558 -5.483 10.422 1.00 61.05 C ATOM 0 H ILE A 519 -3.712 -3.314 8.193 1.00 31.25 H new ATOM 0 HA ILE A 519 -3.863 -5.457 6.437 1.00 12.13 H new ATOM 0 HB ILE A 519 -4.840 -5.225 9.314 1.00 14.32 H new ATOM 0 HG12 ILE A 519 -2.286 -6.578 8.611 1.00 54.21 H new ATOM 0 HG13 ILE A 519 -2.303 -4.838 8.404 1.00 54.21 H new ATOM 0 HG21 ILE A 519 -4.556 -7.670 9.396 1.00 61.14 H new ATOM 0 HG22 ILE A 519 -5.787 -7.190 8.203 1.00 61.14 H new ATOM 0 HG23 ILE A 519 -4.165 -7.679 7.660 1.00 61.14 H new ATOM 0 HD11 ILE A 519 -1.488 -5.448 10.629 1.00 61.05 H new ATOM 0 HD12 ILE A 519 -3.022 -4.553 10.749 1.00 61.05 H new ATOM 0 HD13 ILE A 519 -3.004 -6.320 10.960 1.00 61.05 H new ATOM 607 N GLY A 520 -6.261 -6.147 6.024 1.00 72.25 N ATOM 608 CA GLY A 520 -7.629 -6.364 5.591 1.00 73.21 C ATOM 609 C GLY A 520 -8.511 -6.900 6.702 1.00 43.03 C ATOM 610 O GLY A 520 -8.655 -6.269 7.748 1.00 44.23 O ATOM 0 H GLY A 520 -5.588 -6.831 5.678 1.00 72.25 H new ATOM 0 HA2 GLY A 520 -8.044 -5.425 5.223 1.00 73.21 H new ATOM 0 HA3 GLY A 520 -7.636 -7.065 4.756 1.00 73.21 H new ATOM 614 N ASN A 521 -9.104 -8.067 6.474 1.00 65.44 N ATOM 615 CA ASN A 521 -9.978 -8.687 7.463 1.00 3.11 C ATOM 616 C ASN A 521 -9.201 -9.668 8.337 1.00 54.43 C ATOM 617 O ASN A 521 -8.530 -10.567 7.831 1.00 23.41 O ATOM 618 CB ASN A 521 -11.135 -9.409 6.771 1.00 72.24 C ATOM 619 CG ASN A 521 -11.959 -8.480 5.900 1.00 3.31 C ATOM 620 OD1 ASN A 521 -12.692 -7.628 6.403 1.00 42.14 O ATOM 621 ND2 ASN A 521 -11.841 -8.640 4.587 1.00 32.22 N ATOM 0 H ASN A 521 -8.995 -8.603 5.613 1.00 65.44 H new ATOM 0 HA ASN A 521 -10.380 -7.899 8.100 1.00 3.11 H new ATOM 0 HB2 ASN A 521 -10.740 -10.220 6.160 1.00 72.24 H new ATOM 0 HB3 ASN A 521 -11.779 -9.863 7.524 1.00 72.24 H new ATOM 0 HD21 ASN A 521 -12.370 -8.043 3.951 1.00 32.22 H new ATOM 0 HD22 ASN A 521 -11.221 -9.359 4.215 1.00 32.22 H new ATOM 628 N ILE A 522 -9.299 -9.487 9.650 1.00 72.45 N ATOM 629 CA ILE A 522 -8.608 -10.357 10.593 1.00 21.20 C ATOM 630 C ILE A 522 -9.596 -11.064 11.515 1.00 40.12 C ATOM 631 O ILE A 522 -10.483 -10.435 12.093 1.00 44.33 O ATOM 632 CB ILE A 522 -7.598 -9.570 11.449 1.00 50.24 C ATOM 633 CG1 ILE A 522 -6.714 -8.695 10.557 1.00 13.33 C ATOM 634 CG2 ILE A 522 -6.747 -10.523 12.275 1.00 53.30 C ATOM 635 CD1 ILE A 522 -6.989 -7.214 10.701 1.00 21.14 C ATOM 0 H ILE A 522 -9.850 -8.746 10.084 1.00 72.45 H new ATOM 0 HA ILE A 522 -8.071 -11.099 10.002 1.00 21.20 H new ATOM 0 HB ILE A 522 -8.149 -8.922 12.131 1.00 50.24 H new ATOM 0 HG12 ILE A 522 -5.668 -8.887 10.796 1.00 13.33 H new ATOM 0 HG13 ILE A 522 -6.862 -8.984 9.517 1.00 13.33 H new ATOM 0 HG21 ILE A 522 -6.038 -9.952 12.874 1.00 53.30 H new ATOM 0 HG22 ILE A 522 -7.390 -11.108 12.933 1.00 53.30 H new ATOM 0 HG23 ILE A 522 -6.202 -11.193 11.610 1.00 53.30 H new ATOM 0 HD11 ILE A 522 -6.327 -6.655 10.040 1.00 21.14 H new ATOM 0 HD12 ILE A 522 -8.026 -7.009 10.434 1.00 21.14 H new ATOM 0 HD13 ILE A 522 -6.813 -6.910 11.733 1.00 21.14 H new ATOM 647 N LYS A 523 -9.436 -12.376 11.649 1.00 34.15 N ATOM 648 CA LYS A 523 -10.312 -13.170 12.504 1.00 64.15 C ATOM 649 C LYS A 523 -9.526 -13.808 13.644 1.00 23.44 C ATOM 650 O LYS A 523 -8.335 -14.093 13.509 1.00 41.43 O ATOM 651 CB LYS A 523 -11.012 -14.255 11.683 1.00 62.44 C ATOM 652 CG LYS A 523 -12.087 -15.002 12.453 1.00 22.20 C ATOM 653 CD LYS A 523 -12.672 -16.140 11.633 1.00 0.11 C ATOM 654 CE LYS A 523 -13.541 -15.620 10.498 1.00 2.43 C ATOM 655 NZ LYS A 523 -14.971 -15.513 10.899 1.00 51.01 N ATOM 0 H LYS A 523 -8.708 -12.912 11.177 1.00 34.15 H new ATOM 0 HA LYS A 523 -11.063 -12.505 12.931 1.00 64.15 H new ATOM 0 HB2 LYS A 523 -11.460 -13.799 10.800 1.00 62.44 H new ATOM 0 HB3 LYS A 523 -10.268 -14.969 11.330 1.00 62.44 H new ATOM 0 HG2 LYS A 523 -11.665 -15.398 13.377 1.00 22.20 H new ATOM 0 HG3 LYS A 523 -12.881 -14.310 12.735 1.00 22.20 H new ATOM 0 HD2 LYS A 523 -11.865 -16.748 11.225 1.00 0.11 H new ATOM 0 HD3 LYS A 523 -13.265 -16.788 12.279 1.00 0.11 H new ATOM 0 HE2 LYS A 523 -13.178 -14.642 10.182 1.00 2.43 H new ATOM 0 HE3 LYS A 523 -13.453 -16.286 9.639 1.00 2.43 H new ATOM 0 HZ1 LYS A 523 -15.530 -15.155 10.098 1.00 51.01 H new ATOM 0 HZ2 LYS A 523 -15.325 -16.451 11.177 1.00 51.01 H new ATOM 0 HZ3 LYS A 523 -15.058 -14.858 11.702 1.00 51.01 H new ATOM 669 N LEU A 524 -10.199 -14.033 14.767 1.00 1.44 N ATOM 670 CA LEU A 524 -9.564 -14.639 15.932 1.00 24.41 C ATOM 671 C LEU A 524 -10.484 -15.668 16.580 1.00 34.24 C ATOM 672 O LEU A 524 -11.294 -15.334 17.446 1.00 24.32 O ATOM 673 CB LEU A 524 -9.186 -13.562 16.951 1.00 72.43 C ATOM 674 CG LEU A 524 -8.190 -13.981 18.032 1.00 30.35 C ATOM 675 CD1 LEU A 524 -8.853 -14.910 19.038 1.00 51.20 C ATOM 676 CD2 LEU A 524 -6.974 -14.650 17.408 1.00 50.22 C ATOM 0 H LEU A 524 -11.185 -13.805 14.896 1.00 1.44 H new ATOM 0 HA LEU A 524 -8.659 -15.147 15.598 1.00 24.41 H new ATOM 0 HB2 LEU A 524 -8.770 -12.711 16.412 1.00 72.43 H new ATOM 0 HB3 LEU A 524 -10.097 -13.216 17.439 1.00 72.43 H new ATOM 0 HG LEU A 524 -7.858 -13.086 18.558 1.00 30.35 H new ATOM 0 HD11 LEU A 524 -8.129 -15.198 19.800 1.00 51.20 H new ATOM 0 HD12 LEU A 524 -9.691 -14.397 19.510 1.00 51.20 H new ATOM 0 HD13 LEU A 524 -9.215 -15.802 18.526 1.00 51.20 H new ATOM 0 HD21 LEU A 524 -6.276 -14.941 18.193 1.00 50.22 H new ATOM 0 HD22 LEU A 524 -7.289 -15.535 16.856 1.00 50.22 H new ATOM 0 HD23 LEU A 524 -6.484 -13.953 16.728 1.00 50.22 H new ATOM 688 N PHE A 525 -10.354 -16.921 16.157 1.00 31.11 N ATOM 689 CA PHE A 525 -11.174 -18.000 16.697 1.00 4.32 C ATOM 690 C PHE A 525 -10.518 -18.615 17.930 1.00 35.22 C ATOM 691 O PHE A 525 -9.566 -18.064 18.480 1.00 25.23 O ATOM 692 CB PHE A 525 -11.401 -19.077 15.635 1.00 63.21 C ATOM 693 CG PHE A 525 -12.847 -19.434 15.443 1.00 50.14 C ATOM 694 CD1 PHE A 525 -13.288 -20.731 15.650 1.00 42.03 C ATOM 695 CD2 PHE A 525 -13.766 -18.472 15.054 1.00 24.11 C ATOM 696 CE1 PHE A 525 -14.618 -21.063 15.474 1.00 52.41 C ATOM 697 CE2 PHE A 525 -15.097 -18.798 14.877 1.00 11.43 C ATOM 698 CZ PHE A 525 -15.524 -20.095 15.086 1.00 3.42 C ATOM 0 H PHE A 525 -9.689 -17.215 15.442 1.00 31.11 H new ATOM 0 HA PHE A 525 -12.137 -17.581 16.990 1.00 4.32 H new ATOM 0 HB2 PHE A 525 -10.991 -18.732 14.686 1.00 63.21 H new ATOM 0 HB3 PHE A 525 -10.848 -19.974 15.914 1.00 63.21 H new ATOM 0 HD1 PHE A 525 -12.584 -21.492 15.953 1.00 42.03 H new ATOM 0 HD2 PHE A 525 -13.438 -17.457 14.887 1.00 24.11 H new ATOM 0 HE1 PHE A 525 -14.949 -22.078 15.640 1.00 52.41 H new ATOM 0 HE2 PHE A 525 -15.803 -18.039 14.575 1.00 11.43 H new ATOM 0 HZ PHE A 525 -16.564 -20.352 14.946 1.00 3.42 H new ATOM 708 N ALA A 526 -11.038 -19.761 18.359 1.00 64.12 N ATOM 709 CA ALA A 526 -10.503 -20.453 19.525 1.00 13.13 C ATOM 710 C ALA A 526 -9.108 -21.002 19.247 1.00 74.25 C ATOM 711 O ALA A 526 -8.198 -20.853 20.061 1.00 21.03 O ATOM 712 CB ALA A 526 -11.440 -21.575 19.948 1.00 22.02 C ATOM 0 H ALA A 526 -11.829 -20.229 17.916 1.00 64.12 H new ATOM 0 HA ALA A 526 -10.425 -19.733 20.340 1.00 13.13 H new ATOM 0 HB1 ALA A 526 -11.028 -22.084 20.820 1.00 22.02 H new ATOM 0 HB2 ALA A 526 -12.416 -21.159 20.198 1.00 22.02 H new ATOM 0 HB3 ALA A 526 -11.548 -22.287 19.130 1.00 22.02 H new ATOM 718 N SER A 527 -8.948 -21.639 18.091 1.00 51.33 N ATOM 719 CA SER A 527 -7.665 -22.215 17.707 1.00 44.53 C ATOM 720 C SER A 527 -7.330 -21.878 16.257 1.00 52.13 C ATOM 721 O SER A 527 -6.667 -22.651 15.565 1.00 44.11 O ATOM 722 CB SER A 527 -7.685 -23.732 17.898 1.00 21.32 C ATOM 723 OG SER A 527 -8.035 -24.074 19.228 1.00 2.12 O ATOM 0 H SER A 527 -9.691 -21.769 17.404 1.00 51.33 H new ATOM 0 HA SER A 527 -6.896 -21.785 18.349 1.00 44.53 H new ATOM 0 HB2 SER A 527 -8.397 -24.180 17.205 1.00 21.32 H new ATOM 0 HB3 SER A 527 -6.705 -24.145 17.659 1.00 21.32 H new ATOM 0 HG SER A 527 -8.042 -25.049 19.324 1.00 2.12 H new ATOM 729 N HIS A 528 -7.795 -20.718 15.803 1.00 63.13 N ATOM 730 CA HIS A 528 -7.545 -20.277 14.435 1.00 71.31 C ATOM 731 C HIS A 528 -7.607 -18.756 14.335 1.00 72.15 C ATOM 732 O HIS A 528 -8.106 -18.085 15.237 1.00 12.44 O ATOM 733 CB HIS A 528 -8.562 -20.905 13.481 1.00 42.11 C ATOM 734 CG HIS A 528 -8.338 -22.367 13.244 1.00 45.45 C ATOM 735 ND1 HIS A 528 -8.907 -23.352 14.023 1.00 42.43 N ATOM 736 CD2 HIS A 528 -7.602 -23.009 12.306 1.00 0.40 C ATOM 737 CE1 HIS A 528 -8.530 -24.536 13.576 1.00 62.22 C ATOM 738 NE2 HIS A 528 -7.738 -24.356 12.534 1.00 1.12 N ATOM 0 H HIS A 528 -8.346 -20.067 16.362 1.00 63.13 H new ATOM 0 HA HIS A 528 -6.544 -20.601 14.151 1.00 71.31 H new ATOM 0 HB2 HIS A 528 -9.564 -20.760 13.885 1.00 42.11 H new ATOM 0 HB3 HIS A 528 -8.524 -20.381 12.526 1.00 42.11 H new ATOM 0 HD2 HIS A 528 -7.017 -22.547 11.524 1.00 0.40 H new ATOM 0 HE1 HIS A 528 -8.820 -25.490 13.992 1.00 62.22 H new ATOM 0 HE2 HIS A 528 -7.299 -25.097 11.988 1.00 1.12 H new ATOM 746 N SER A 529 -7.096 -18.219 13.231 1.00 34.40 N ATOM 747 CA SER A 529 -7.090 -16.777 13.015 1.00 64.32 C ATOM 748 C SER A 529 -6.748 -16.447 11.565 1.00 3.12 C ATOM 749 O SER A 529 -5.788 -16.977 11.004 1.00 1.22 O ATOM 750 CB SER A 529 -6.086 -16.104 13.953 1.00 32.35 C ATOM 751 OG SER A 529 -5.240 -17.062 14.567 1.00 53.43 O ATOM 0 H SER A 529 -6.681 -18.761 12.473 1.00 34.40 H new ATOM 0 HA SER A 529 -8.089 -16.398 13.230 1.00 64.32 H new ATOM 0 HB2 SER A 529 -5.484 -15.388 13.393 1.00 32.35 H new ATOM 0 HB3 SER A 529 -6.620 -15.541 14.719 1.00 32.35 H new ATOM 0 HG SER A 529 -5.723 -17.507 15.294 1.00 53.43 H new ATOM 757 N THR A 530 -7.541 -15.566 10.963 1.00 62.35 N ATOM 758 CA THR A 530 -7.325 -15.165 9.578 1.00 4.03 C ATOM 759 C THR A 530 -6.758 -13.752 9.498 1.00 54.14 C ATOM 760 O THR A 530 -6.767 -13.013 10.482 1.00 12.43 O ATOM 761 CB THR A 530 -8.630 -15.230 8.764 1.00 55.20 C ATOM 762 OG1 THR A 530 -9.488 -14.141 9.125 1.00 23.13 O ATOM 763 CG2 THR A 530 -9.351 -16.549 9.000 1.00 4.22 C ATOM 0 H THR A 530 -8.339 -15.117 11.413 1.00 62.35 H new ATOM 0 HA THR A 530 -6.607 -15.867 9.154 1.00 4.03 H new ATOM 0 HB THR A 530 -8.376 -15.157 7.707 1.00 55.20 H new ATOM 0 HG1 THR A 530 -10.315 -14.189 8.601 1.00 23.13 H new ATOM 0 HG21 THR A 530 -10.270 -16.571 8.414 1.00 4.22 H new ATOM 0 HG22 THR A 530 -8.707 -17.375 8.697 1.00 4.22 H new ATOM 0 HG23 THR A 530 -9.593 -16.647 10.058 1.00 4.22 H new ATOM 771 N ILE A 531 -6.267 -13.383 8.319 1.00 15.34 N ATOM 772 CA ILE A 531 -5.699 -12.057 8.111 1.00 40.22 C ATOM 773 C ILE A 531 -5.346 -11.835 6.644 1.00 2.41 C ATOM 774 O ILE A 531 -4.898 -12.753 5.958 1.00 41.50 O ATOM 775 CB ILE A 531 -4.438 -11.844 8.969 1.00 41.31 C ATOM 776 CG1 ILE A 531 -3.815 -10.479 8.669 1.00 40.23 C ATOM 777 CG2 ILE A 531 -3.432 -12.958 8.718 1.00 14.44 C ATOM 778 CD1 ILE A 531 -2.940 -9.955 9.786 1.00 61.11 C ATOM 0 H ILE A 531 -6.251 -13.983 7.494 1.00 15.34 H new ATOM 0 HA ILE A 531 -6.459 -11.337 8.413 1.00 40.22 H new ATOM 0 HB ILE A 531 -4.724 -11.869 10.021 1.00 41.31 H new ATOM 0 HG12 ILE A 531 -3.222 -10.552 7.758 1.00 40.23 H new ATOM 0 HG13 ILE A 531 -4.611 -9.760 8.474 1.00 40.23 H new ATOM 0 HG21 ILE A 531 -2.546 -12.793 9.332 1.00 14.44 H new ATOM 0 HG22 ILE A 531 -3.880 -13.918 8.977 1.00 14.44 H new ATOM 0 HG23 ILE A 531 -3.149 -12.962 7.665 1.00 14.44 H new ATOM 0 HD11 ILE A 531 -2.532 -8.984 9.504 1.00 61.11 H new ATOM 0 HD12 ILE A 531 -3.534 -9.849 10.694 1.00 61.11 H new ATOM 0 HD13 ILE A 531 -2.123 -10.653 9.966 1.00 61.11 H new ATOM 790 N GLU A 532 -5.549 -10.609 6.171 1.00 13.01 N ATOM 791 CA GLU A 532 -5.251 -10.266 4.786 1.00 60.45 C ATOM 792 C GLU A 532 -4.232 -9.133 4.713 1.00 42.04 C ATOM 793 O GLU A 532 -4.405 -8.085 5.337 1.00 33.51 O ATOM 794 CB GLU A 532 -6.531 -9.864 4.049 1.00 23.35 C ATOM 795 CG GLU A 532 -6.344 -9.696 2.551 1.00 62.41 C ATOM 796 CD GLU A 532 -7.560 -10.135 1.759 1.00 60.04 C ATOM 797 OE1 GLU A 532 -7.474 -11.167 1.061 1.00 44.35 O ATOM 798 OE2 GLU A 532 -8.599 -9.446 1.837 1.00 4.12 O ATOM 0 H GLU A 532 -5.918 -9.838 6.727 1.00 13.01 H new ATOM 0 HA GLU A 532 -4.825 -11.146 4.305 1.00 60.45 H new ATOM 0 HB2 GLU A 532 -7.296 -10.619 4.229 1.00 23.35 H new ATOM 0 HB3 GLU A 532 -6.902 -8.929 4.467 1.00 23.35 H new ATOM 0 HG2 GLU A 532 -6.129 -8.650 2.330 1.00 62.41 H new ATOM 0 HG3 GLU A 532 -5.478 -10.274 2.230 1.00 62.41 H new ATOM 805 N LEU A 533 -3.168 -9.350 3.947 1.00 74.13 N ATOM 806 CA LEU A 533 -2.120 -8.348 3.792 1.00 43.14 C ATOM 807 C LEU A 533 -2.079 -7.819 2.361 1.00 31.14 C ATOM 808 O LEU A 533 -2.140 -8.575 1.392 1.00 70.51 O ATOM 809 CB LEU A 533 -0.761 -8.941 4.167 1.00 64.01 C ATOM 810 CG LEU A 533 -0.213 -8.548 5.539 1.00 4.02 C ATOM 811 CD1 LEU A 533 -1.252 -8.798 6.621 1.00 52.23 C ATOM 812 CD2 LEU A 533 1.068 -9.313 5.841 1.00 0.41 C ATOM 0 H LEU A 533 -3.009 -10.211 3.424 1.00 74.13 H new ATOM 0 HA LEU A 533 -2.344 -7.517 4.461 1.00 43.14 H new ATOM 0 HB2 LEU A 533 -0.837 -10.028 4.126 1.00 64.01 H new ATOM 0 HB3 LEU A 533 -0.036 -8.644 3.410 1.00 64.01 H new ATOM 0 HG LEU A 533 0.018 -7.483 5.525 1.00 4.02 H new ATOM 0 HD11 LEU A 533 -0.844 -8.512 7.590 1.00 52.23 H new ATOM 0 HD12 LEU A 533 -2.143 -8.205 6.414 1.00 52.23 H new ATOM 0 HD13 LEU A 533 -1.515 -9.856 6.636 1.00 52.23 H new ATOM 0 HD21 LEU A 533 1.444 -9.021 6.821 1.00 0.41 H new ATOM 0 HD22 LEU A 533 0.862 -10.383 5.836 1.00 0.41 H new ATOM 0 HD23 LEU A 533 1.816 -9.084 5.082 1.00 0.41 H new ATOM 824 N PRO A 534 -1.972 -6.489 2.225 1.00 63.22 N ATOM 825 CA PRO A 534 -1.918 -5.830 0.917 1.00 45.42 C ATOM 826 C PRO A 534 -0.612 -6.109 0.180 1.00 20.12 C ATOM 827 O PRO A 534 -0.443 -5.720 -0.975 1.00 51.55 O ATOM 828 CB PRO A 534 -2.028 -4.343 1.264 1.00 4.14 C ATOM 829 CG PRO A 534 -1.512 -4.241 2.658 1.00 2.43 C ATOM 830 CD PRO A 534 -1.894 -5.527 3.337 1.00 52.12 C ATOM 0 HA PRO A 534 -2.703 -6.186 0.249 1.00 45.42 H new ATOM 0 HB2 PRO A 534 -1.441 -3.732 0.579 1.00 4.14 H new ATOM 0 HB3 PRO A 534 -3.059 -3.996 1.197 1.00 4.14 H new ATOM 0 HG2 PRO A 534 -0.431 -4.103 2.665 1.00 2.43 H new ATOM 0 HG3 PRO A 534 -1.946 -3.384 3.173 1.00 2.43 H new ATOM 0 HD2 PRO A 534 -1.152 -5.827 4.077 1.00 52.12 H new ATOM 0 HD3 PRO A 534 -2.847 -5.438 3.859 1.00 52.12 H new ATOM 838 N LYS A 535 0.310 -6.787 0.856 1.00 73.02 N ATOM 839 CA LYS A 535 1.600 -7.121 0.266 1.00 64.14 C ATOM 840 C LYS A 535 1.428 -7.652 -1.154 1.00 25.42 C ATOM 841 O LYS A 535 0.441 -8.318 -1.462 1.00 51.05 O ATOM 842 CB LYS A 535 2.324 -8.159 1.126 1.00 65.11 C ATOM 843 CG LYS A 535 2.586 -7.695 2.548 1.00 1.41 C ATOM 844 CD LYS A 535 3.547 -6.518 2.583 1.00 52.24 C ATOM 845 CE LYS A 535 4.955 -6.936 2.187 1.00 54.25 C ATOM 846 NZ LYS A 535 5.953 -5.870 2.479 1.00 55.24 N ATOM 0 H LYS A 535 0.187 -7.116 1.814 1.00 73.02 H new ATOM 0 HA LYS A 535 2.199 -6.211 0.225 1.00 64.14 H new ATOM 0 HB2 LYS A 535 1.730 -9.073 1.155 1.00 65.11 H new ATOM 0 HB3 LYS A 535 3.274 -8.411 0.654 1.00 65.11 H new ATOM 0 HG2 LYS A 535 1.645 -7.411 3.018 1.00 1.41 H new ATOM 0 HG3 LYS A 535 2.998 -8.519 3.131 1.00 1.41 H new ATOM 0 HD2 LYS A 535 3.194 -5.739 1.908 1.00 52.24 H new ATOM 0 HD3 LYS A 535 3.562 -6.089 3.585 1.00 52.24 H new ATOM 0 HE2 LYS A 535 5.228 -7.845 2.722 1.00 54.25 H new ATOM 0 HE3 LYS A 535 4.978 -7.173 1.123 1.00 54.25 H new ATOM 0 HZ1 LYS A 535 6.900 -6.194 2.195 1.00 55.24 H new ATOM 0 HZ2 LYS A 535 5.707 -5.010 1.949 1.00 55.24 H new ATOM 0 HZ3 LYS A 535 5.950 -5.661 3.498 1.00 55.24 H new ATOM 860 N GLY A 536 2.398 -7.355 -2.014 1.00 53.21 N ATOM 861 CA GLY A 536 2.335 -7.812 -3.390 1.00 14.20 C ATOM 862 C GLY A 536 3.597 -8.531 -3.820 1.00 63.54 C ATOM 863 O GLY A 536 4.114 -8.293 -4.912 1.00 32.53 O ATOM 0 H GLY A 536 3.226 -6.806 -1.782 1.00 53.21 H new ATOM 0 HA2 GLY A 536 1.482 -8.480 -3.509 1.00 14.20 H new ATOM 0 HA3 GLY A 536 2.166 -6.958 -4.046 1.00 14.20 H new ATOM 867 N MET A 537 4.096 -9.413 -2.960 1.00 65.13 N ATOM 868 CA MET A 537 5.307 -10.169 -3.258 1.00 24.31 C ATOM 869 C MET A 537 5.611 -11.169 -2.147 1.00 33.33 C ATOM 870 O MET A 537 6.591 -11.040 -1.414 1.00 23.45 O ATOM 871 CB MET A 537 6.493 -9.221 -3.444 1.00 65.14 C ATOM 872 CG MET A 537 7.554 -9.754 -4.394 1.00 71.02 C ATOM 873 SD MET A 537 7.029 -9.707 -6.118 1.00 73.25 S ATOM 874 CE MET A 537 8.196 -10.846 -6.859 1.00 43.41 C ATOM 0 H MET A 537 3.681 -9.622 -2.052 1.00 65.13 H new ATOM 0 HA MET A 537 5.142 -10.720 -4.184 1.00 24.31 H new ATOM 0 HB2 MET A 537 6.128 -8.265 -3.819 1.00 65.14 H new ATOM 0 HB3 MET A 537 6.950 -9.029 -2.473 1.00 65.14 H new ATOM 0 HG2 MET A 537 8.466 -9.168 -4.280 1.00 71.02 H new ATOM 0 HG3 MET A 537 7.798 -10.780 -4.121 1.00 71.02 H new ATOM 0 HE1 MET A 537 7.999 -10.924 -7.928 1.00 43.41 H new ATOM 0 HE2 MET A 537 9.211 -10.480 -6.703 1.00 43.41 H new ATOM 0 HE3 MET A 537 8.089 -11.828 -6.398 1.00 43.41 H new ATOM 884 N PRO A 538 4.751 -12.190 -2.017 1.00 74.32 N ATOM 885 CA PRO A 538 4.906 -13.232 -0.998 1.00 23.13 C ATOM 886 C PRO A 538 6.097 -14.143 -1.276 1.00 43.44 C ATOM 887 O PRO A 538 6.841 -13.933 -2.234 1.00 12.31 O ATOM 888 CB PRO A 538 3.597 -14.020 -1.093 1.00 3.24 C ATOM 889 CG PRO A 538 3.121 -13.797 -2.486 1.00 50.54 C ATOM 890 CD PRO A 538 3.560 -12.407 -2.856 1.00 40.33 C ATOM 0 HA PRO A 538 5.095 -12.810 -0.011 1.00 23.13 H new ATOM 0 HB2 PRO A 538 3.758 -15.080 -0.894 1.00 3.24 H new ATOM 0 HB3 PRO A 538 2.868 -13.666 -0.364 1.00 3.24 H new ATOM 0 HG2 PRO A 538 3.546 -14.535 -3.167 1.00 50.54 H new ATOM 0 HG3 PRO A 538 2.037 -13.893 -2.548 1.00 50.54 H new ATOM 0 HD2 PRO A 538 3.797 -12.330 -3.917 1.00 40.33 H new ATOM 0 HD3 PRO A 538 2.783 -11.672 -2.648 1.00 40.33 H new ATOM 898 N GLY A 539 6.272 -15.156 -0.433 1.00 44.41 N ATOM 899 CA GLY A 539 7.375 -16.083 -0.607 1.00 31.24 C ATOM 900 C GLY A 539 8.651 -15.596 0.050 1.00 22.12 C ATOM 901 O GLY A 539 9.706 -16.213 -0.096 1.00 33.14 O ATOM 0 H GLY A 539 5.670 -15.351 0.367 1.00 44.41 H new ATOM 0 HA2 GLY A 539 7.101 -17.051 -0.188 1.00 31.24 H new ATOM 0 HA3 GLY A 539 7.553 -16.235 -1.672 1.00 31.24 H new ATOM 905 N GLU A 540 8.556 -14.485 0.774 1.00 72.11 N ATOM 906 CA GLU A 540 9.713 -13.915 1.453 1.00 44.20 C ATOM 907 C GLU A 540 9.990 -14.645 2.764 1.00 73.41 C ATOM 908 O GLU A 540 11.078 -15.182 2.971 1.00 22.01 O ATOM 909 CB GLU A 540 9.491 -12.425 1.724 1.00 62.34 C ATOM 910 CG GLU A 540 8.876 -11.679 0.552 1.00 74.01 C ATOM 911 CD GLU A 540 9.049 -10.177 0.661 1.00 11.53 C ATOM 912 OE1 GLU A 540 9.134 -9.670 1.799 1.00 4.13 O ATOM 913 OE2 GLU A 540 9.099 -9.508 -0.392 1.00 42.42 O ATOM 0 H GLU A 540 7.690 -13.962 0.905 1.00 72.11 H new ATOM 0 HA GLU A 540 10.578 -14.034 0.801 1.00 44.20 H new ATOM 0 HB2 GLU A 540 8.844 -12.315 2.594 1.00 62.34 H new ATOM 0 HB3 GLU A 540 10.446 -11.964 1.977 1.00 62.34 H new ATOM 0 HG2 GLU A 540 9.332 -12.027 -0.375 1.00 74.01 H new ATOM 0 HG3 GLU A 540 7.814 -11.915 0.493 1.00 74.01 H new ATOM 920 N VAL A 541 8.996 -14.661 3.647 1.00 70.24 N ATOM 921 CA VAL A 541 9.131 -15.326 4.937 1.00 15.34 C ATOM 922 C VAL A 541 8.889 -16.826 4.811 1.00 0.31 C ATOM 923 O VAL A 541 9.492 -17.625 5.528 1.00 63.42 O ATOM 924 CB VAL A 541 8.150 -14.744 5.973 1.00 73.31 C ATOM 925 CG1 VAL A 541 8.352 -15.403 7.329 1.00 70.11 C ATOM 926 CG2 VAL A 541 8.315 -13.235 6.074 1.00 72.50 C ATOM 0 H VAL A 541 8.089 -14.221 3.492 1.00 70.24 H new ATOM 0 HA VAL A 541 10.152 -15.154 5.277 1.00 15.34 H new ATOM 0 HB VAL A 541 7.133 -14.954 5.642 1.00 73.31 H new ATOM 0 HG11 VAL A 541 7.651 -14.979 8.048 1.00 70.11 H new ATOM 0 HG12 VAL A 541 8.178 -16.476 7.242 1.00 70.11 H new ATOM 0 HG13 VAL A 541 9.372 -15.227 7.671 1.00 70.11 H new ATOM 0 HG21 VAL A 541 7.614 -12.841 6.810 1.00 72.50 H new ATOM 0 HG22 VAL A 541 9.334 -13.000 6.381 1.00 72.50 H new ATOM 0 HG23 VAL A 541 8.115 -12.781 5.103 1.00 72.50 H new ATOM 936 N LEU A 542 8.003 -17.202 3.895 1.00 4.41 N ATOM 937 CA LEU A 542 7.682 -18.607 3.673 1.00 34.14 C ATOM 938 C LEU A 542 8.894 -19.367 3.145 1.00 3.41 C ATOM 939 O LEU A 542 8.980 -20.587 3.279 1.00 50.02 O ATOM 940 CB LEU A 542 6.517 -18.735 2.690 1.00 42.03 C ATOM 941 CG LEU A 542 5.115 -18.687 3.299 1.00 65.12 C ATOM 942 CD1 LEU A 542 4.759 -17.266 3.706 1.00 32.04 C ATOM 943 CD2 LEU A 542 4.089 -19.236 2.319 1.00 60.41 C ATOM 0 H LEU A 542 7.494 -16.553 3.294 1.00 4.41 H new ATOM 0 HA LEU A 542 7.392 -19.043 4.629 1.00 34.14 H new ATOM 0 HB2 LEU A 542 6.599 -17.935 1.954 1.00 42.03 H new ATOM 0 HB3 LEU A 542 6.625 -19.676 2.151 1.00 42.03 H new ATOM 0 HG LEU A 542 5.106 -19.312 4.192 1.00 65.12 H new ATOM 0 HD11 LEU A 542 3.758 -17.251 4.137 1.00 32.04 H new ATOM 0 HD12 LEU A 542 5.477 -16.908 4.444 1.00 32.04 H new ATOM 0 HD13 LEU A 542 4.786 -16.619 2.829 1.00 32.04 H new ATOM 0 HD21 LEU A 542 3.097 -19.194 2.769 1.00 60.41 H new ATOM 0 HD22 LEU A 542 4.100 -18.638 1.408 1.00 60.41 H new ATOM 0 HD23 LEU A 542 4.334 -20.270 2.077 1.00 60.41 H new ATOM 955 N GLN A 543 9.829 -18.636 2.547 1.00 4.41 N ATOM 956 CA GLN A 543 11.038 -19.241 2.000 1.00 20.04 C ATOM 957 C GLN A 543 12.092 -19.430 3.087 1.00 54.01 C ATOM 958 O GLN A 543 12.537 -20.548 3.347 1.00 72.44 O ATOM 959 CB GLN A 543 11.602 -18.376 0.872 1.00 54.21 C ATOM 960 CG GLN A 543 11.065 -18.743 -0.502 1.00 64.33 C ATOM 961 CD GLN A 543 11.604 -20.068 -1.004 1.00 23.52 C ATOM 962 OE1 GLN A 543 10.945 -21.102 -0.892 1.00 32.30 O ATOM 963 NE2 GLN A 543 12.809 -20.045 -1.561 1.00 64.10 N ATOM 0 H GLN A 543 9.773 -17.624 2.429 1.00 4.41 H new ATOM 0 HA GLN A 543 10.774 -20.220 1.600 1.00 20.04 H new ATOM 0 HB2 GLN A 543 11.370 -17.331 1.076 1.00 54.21 H new ATOM 0 HB3 GLN A 543 12.688 -18.466 0.864 1.00 54.21 H new ATOM 0 HG2 GLN A 543 9.977 -18.789 -0.462 1.00 64.33 H new ATOM 0 HG3 GLN A 543 11.325 -17.957 -1.211 1.00 64.33 H new ATOM 0 HE21 GLN A 543 13.321 -19.166 -1.634 1.00 64.10 H new ATOM 0 HE22 GLN A 543 13.223 -20.907 -1.916 1.00 64.10 H new ATOM 972 N HIS A 544 12.487 -18.329 3.719 1.00 72.41 N ATOM 973 CA HIS A 544 13.489 -18.374 4.778 1.00 34.02 C ATOM 974 C HIS A 544 12.944 -19.090 6.011 1.00 44.23 C ATOM 975 O HIS A 544 13.541 -20.050 6.497 1.00 23.44 O ATOM 976 CB HIS A 544 13.932 -16.959 5.150 1.00 13.31 C ATOM 977 CG HIS A 544 14.919 -16.369 4.191 1.00 41.32 C ATOM 978 ND1 HIS A 544 14.594 -16.017 2.898 1.00 63.55 N ATOM 979 CD2 HIS A 544 16.230 -16.067 4.343 1.00 13.12 C ATOM 980 CE1 HIS A 544 15.663 -15.527 2.295 1.00 11.24 C ATOM 981 NE2 HIS A 544 16.669 -15.545 3.151 1.00 32.32 N ATOM 0 H HIS A 544 12.129 -17.396 3.516 1.00 72.41 H new ATOM 0 HA HIS A 544 14.350 -18.930 4.407 1.00 34.02 H new ATOM 0 HB2 HIS A 544 13.055 -16.314 5.199 1.00 13.31 H new ATOM 0 HB3 HIS A 544 14.372 -16.975 6.147 1.00 13.31 H new ATOM 0 HD2 HIS A 544 16.821 -16.210 5.236 1.00 13.12 H new ATOM 0 HE1 HIS A 544 15.707 -15.172 1.276 1.00 11.24 H new ATOM 0 HE2 HIS A 544 17.618 -15.223 2.958 1.00 32.32 H new ATOM 989 N PHE A 545 11.809 -18.615 6.511 1.00 35.23 N ATOM 990 CA PHE A 545 11.185 -19.209 7.688 1.00 12.33 C ATOM 991 C PHE A 545 10.247 -20.345 7.292 1.00 73.00 C ATOM 992 O PHE A 545 9.126 -20.444 7.793 1.00 71.43 O ATOM 993 CB PHE A 545 10.414 -18.146 8.474 1.00 55.15 C ATOM 994 CG PHE A 545 11.279 -17.338 9.398 1.00 32.11 C ATOM 995 CD1 PHE A 545 10.985 -17.258 10.750 1.00 41.12 C ATOM 996 CD2 PHE A 545 12.386 -16.659 8.915 1.00 14.43 C ATOM 997 CE1 PHE A 545 11.779 -16.516 11.603 1.00 4.34 C ATOM 998 CE2 PHE A 545 13.184 -15.915 9.764 1.00 32.32 C ATOM 999 CZ PHE A 545 12.880 -15.843 11.110 1.00 53.34 C ATOM 0 H PHE A 545 11.302 -17.821 6.120 1.00 35.23 H new ATOM 0 HA PHE A 545 11.974 -19.617 8.320 1.00 12.33 H new ATOM 0 HB2 PHE A 545 9.920 -17.474 7.772 1.00 55.15 H new ATOM 0 HB3 PHE A 545 9.631 -18.632 9.055 1.00 55.15 H new ATOM 0 HD1 PHE A 545 10.125 -17.782 11.141 1.00 41.12 H new ATOM 0 HD2 PHE A 545 12.628 -16.712 7.864 1.00 14.43 H new ATOM 0 HE1 PHE A 545 11.539 -16.462 12.655 1.00 4.34 H new ATOM 0 HE2 PHE A 545 14.044 -15.390 9.376 1.00 32.32 H new ATOM 0 HZ PHE A 545 13.502 -15.262 11.775 1.00 53.34 H new ATOM 1009 N THR A 546 10.713 -21.201 6.388 1.00 73.31 N ATOM 1010 CA THR A 546 9.916 -22.330 5.922 1.00 4.41 C ATOM 1011 C THR A 546 9.930 -23.468 6.936 1.00 40.11 C ATOM 1012 O THR A 546 9.066 -24.345 6.910 1.00 2.35 O ATOM 1013 CB THR A 546 10.428 -22.857 4.568 1.00 14.02 C ATOM 1014 OG1 THR A 546 9.468 -23.754 3.998 1.00 51.32 O ATOM 1015 CG2 THR A 546 11.761 -23.571 4.734 1.00 75.11 C ATOM 0 H THR A 546 11.638 -21.134 5.964 1.00 73.31 H new ATOM 0 HA THR A 546 8.895 -21.968 5.800 1.00 4.41 H new ATOM 0 HB THR A 546 10.571 -22.006 3.902 1.00 14.02 H new ATOM 0 HG1 THR A 546 9.038 -24.269 4.712 1.00 51.32 H new ATOM 0 HG21 THR A 546 12.102 -23.934 3.765 1.00 75.11 H new ATOM 0 HG22 THR A 546 12.497 -22.878 5.141 1.00 75.11 H new ATOM 0 HG23 THR A 546 11.640 -24.413 5.415 1.00 75.11 H new ATOM 1023 N ARG A 547 10.915 -23.448 7.828 1.00 61.02 N ATOM 1024 CA ARG A 547 11.041 -24.480 8.850 1.00 12.44 C ATOM 1025 C ARG A 547 10.796 -23.900 10.241 1.00 43.35 C ATOM 1026 O ARG A 547 10.461 -24.625 11.178 1.00 54.42 O ATOM 1027 CB ARG A 547 12.428 -25.121 8.790 1.00 4.34 C ATOM 1028 CG ARG A 547 13.564 -24.140 9.036 1.00 35.21 C ATOM 1029 CD ARG A 547 14.815 -24.533 8.267 1.00 41.44 C ATOM 1030 NE ARG A 547 15.558 -25.597 8.936 1.00 71.00 N ATOM 1031 CZ ARG A 547 16.720 -26.069 8.499 1.00 4.32 C ATOM 1032 NH1 ARG A 547 17.270 -25.572 7.399 1.00 31.44 N ATOM 1033 NH2 ARG A 547 17.336 -27.039 9.163 1.00 11.44 N ATOM 0 H ARG A 547 11.637 -22.729 7.864 1.00 61.02 H new ATOM 0 HA ARG A 547 10.287 -25.243 8.655 1.00 12.44 H new ATOM 0 HB2 ARG A 547 12.482 -25.920 9.530 1.00 4.34 H new ATOM 0 HB3 ARG A 547 12.563 -25.583 7.812 1.00 4.34 H new ATOM 0 HG2 ARG A 547 13.252 -23.139 8.739 1.00 35.21 H new ATOM 0 HG3 ARG A 547 13.788 -24.101 10.102 1.00 35.21 H new ATOM 0 HD2 ARG A 547 14.537 -24.860 7.265 1.00 41.44 H new ATOM 0 HD3 ARG A 547 15.458 -23.660 8.150 1.00 41.44 H new ATOM 0 HE ARG A 547 15.163 -26.000 9.786 1.00 71.00 H new ATOM 0 HH11 ARG A 547 16.800 -24.825 6.887 1.00 31.44 H new ATOM 0 HH12 ARG A 547 18.162 -25.936 7.066 1.00 31.44 H new ATOM 0 HH21 ARG A 547 16.917 -27.423 10.010 1.00 11.44 H new ATOM 0 HH22 ARG A 547 18.228 -27.401 8.826 1.00 11.44 H new ATOM 1047 N THR A 548 10.967 -22.587 10.367 1.00 24.43 N ATOM 1048 CA THR A 548 10.767 -21.910 11.642 1.00 24.23 C ATOM 1049 C THR A 548 9.527 -21.026 11.606 1.00 15.41 C ATOM 1050 O THR A 548 9.426 -20.114 10.785 1.00 63.02 O ATOM 1051 CB THR A 548 11.988 -21.049 12.018 1.00 15.52 C ATOM 1052 OG1 THR A 548 13.169 -21.858 12.046 1.00 13.52 O ATOM 1053 CG2 THR A 548 11.787 -20.388 13.374 1.00 73.31 C ATOM 0 H THR A 548 11.243 -21.972 9.602 1.00 24.43 H new ATOM 0 HA THR A 548 10.634 -22.687 12.395 1.00 24.23 H new ATOM 0 HB THR A 548 12.101 -20.269 11.265 1.00 15.52 H new ATOM 0 HG1 THR A 548 13.940 -21.303 12.284 1.00 13.52 H new ATOM 0 HG21 THR A 548 12.662 -19.785 13.618 1.00 73.31 H new ATOM 0 HG22 THR A 548 10.904 -19.749 13.340 1.00 73.31 H new ATOM 0 HG23 THR A 548 11.651 -21.155 14.136 1.00 73.31 H new ATOM 1061 N ARG A 549 8.584 -21.300 12.502 1.00 53.22 N ATOM 1062 CA ARG A 549 7.349 -20.528 12.571 1.00 34.35 C ATOM 1063 C ARG A 549 6.828 -20.464 14.004 1.00 32.13 C ATOM 1064 O ARG A 549 7.408 -21.059 14.913 1.00 2.32 O ATOM 1065 CB ARG A 549 6.286 -21.143 11.658 1.00 1.14 C ATOM 1066 CG ARG A 549 6.527 -20.881 10.181 1.00 43.32 C ATOM 1067 CD ARG A 549 7.035 -22.125 9.470 1.00 63.32 C ATOM 1068 NE ARG A 549 5.969 -23.096 9.237 1.00 64.01 N ATOM 1069 CZ ARG A 549 6.184 -24.395 9.063 1.00 72.40 C ATOM 1070 NH1 ARG A 549 7.419 -24.877 9.096 1.00 74.10 N ATOM 1071 NH2 ARG A 549 5.162 -25.216 8.856 1.00 53.10 N ATOM 0 H ARG A 549 8.652 -22.050 13.190 1.00 53.22 H new ATOM 0 HA ARG A 549 7.565 -19.514 12.235 1.00 34.35 H new ATOM 0 HB2 ARG A 549 6.253 -22.219 11.827 1.00 1.14 H new ATOM 0 HB3 ARG A 549 5.309 -20.747 11.934 1.00 1.14 H new ATOM 0 HG2 ARG A 549 5.601 -20.546 9.714 1.00 43.32 H new ATOM 0 HG3 ARG A 549 7.251 -20.074 10.067 1.00 43.32 H new ATOM 0 HD2 ARG A 549 7.481 -21.841 8.517 1.00 63.32 H new ATOM 0 HD3 ARG A 549 7.822 -22.587 10.066 1.00 63.32 H new ATOM 0 HE ARG A 549 5.007 -22.758 9.206 1.00 64.01 H new ATOM 0 HH11 ARG A 549 8.207 -24.250 9.255 1.00 74.10 H new ATOM 0 HH12 ARG A 549 7.581 -25.875 8.962 1.00 74.10 H new ATOM 0 HH21 ARG A 549 4.210 -24.849 8.830 1.00 53.10 H new ATOM 0 HH22 ARG A 549 5.328 -26.213 8.722 1.00 53.10 H new ATOM 1085 N ILE A 550 5.731 -19.739 14.198 1.00 64.01 N ATOM 1086 CA ILE A 550 5.133 -19.598 15.519 1.00 12.04 C ATOM 1087 C ILE A 550 3.746 -18.971 15.431 1.00 52.55 C ATOM 1088 O ILE A 550 3.253 -18.678 14.340 1.00 5.41 O ATOM 1089 CB ILE A 550 6.013 -18.741 16.448 1.00 43.44 C ATOM 1090 CG1 ILE A 550 5.785 -19.133 17.909 1.00 52.32 C ATOM 1091 CG2 ILE A 550 5.721 -17.262 16.238 1.00 31.33 C ATOM 1092 CD1 ILE A 550 7.065 -19.308 18.695 1.00 43.32 C ATOM 0 H ILE A 550 5.239 -19.240 13.457 1.00 64.01 H new ATOM 0 HA ILE A 550 5.050 -20.602 15.935 1.00 12.04 H new ATOM 0 HB ILE A 550 7.059 -18.923 16.203 1.00 43.44 H new ATOM 0 HG12 ILE A 550 5.174 -18.369 18.390 1.00 52.32 H new ATOM 0 HG13 ILE A 550 5.218 -20.063 17.943 1.00 52.32 H new ATOM 0 HG21 ILE A 550 6.351 -16.669 16.901 1.00 31.33 H new ATOM 0 HG22 ILE A 550 5.931 -16.993 15.203 1.00 31.33 H new ATOM 0 HG23 ILE A 550 4.672 -17.063 16.459 1.00 31.33 H new ATOM 0 HD11 ILE A 550 6.826 -19.585 19.722 1.00 43.32 H new ATOM 0 HD12 ILE A 550 7.668 -20.092 18.238 1.00 43.32 H new ATOM 0 HD13 ILE A 550 7.624 -18.372 18.693 1.00 43.32 H new ATOM 1104 N LEU A 551 3.121 -18.765 16.584 1.00 14.15 N ATOM 1105 CA LEU A 551 1.790 -18.170 16.638 1.00 11.32 C ATOM 1106 C LEU A 551 1.631 -17.094 15.568 1.00 32.15 C ATOM 1107 O LEU A 551 0.595 -17.007 14.911 1.00 71.43 O ATOM 1108 CB LEU A 551 1.533 -17.571 18.022 1.00 1.41 C ATOM 1109 CG LEU A 551 2.402 -16.372 18.406 1.00 34.23 C ATOM 1110 CD1 LEU A 551 1.713 -15.070 18.027 1.00 33.43 C ATOM 1111 CD2 LEU A 551 2.717 -16.397 19.895 1.00 74.21 C ATOM 0 H LEU A 551 3.514 -19.001 17.495 1.00 14.15 H new ATOM 0 HA LEU A 551 1.059 -18.956 16.448 1.00 11.32 H new ATOM 0 HB2 LEU A 551 0.487 -17.269 18.077 1.00 1.41 H new ATOM 0 HB3 LEU A 551 1.678 -18.353 18.767 1.00 1.41 H new ATOM 0 HG LEU A 551 3.340 -16.436 17.855 1.00 34.23 H new ATOM 0 HD11 LEU A 551 2.346 -14.228 18.308 1.00 33.43 H new ATOM 0 HD12 LEU A 551 1.539 -15.050 16.951 1.00 33.43 H new ATOM 0 HD13 LEU A 551 0.759 -14.997 18.550 1.00 33.43 H new ATOM 0 HD21 LEU A 551 3.336 -15.537 20.150 1.00 74.21 H new ATOM 0 HD22 LEU A 551 1.788 -16.358 20.464 1.00 74.21 H new ATOM 0 HD23 LEU A 551 3.253 -17.315 20.138 1.00 74.21 H new ATOM 1123 N ASN A 552 2.666 -16.278 15.399 1.00 11.30 N ATOM 1124 CA ASN A 552 2.642 -15.208 14.408 1.00 74.45 C ATOM 1125 C ASN A 552 2.898 -15.759 13.008 1.00 43.42 C ATOM 1126 O ASN A 552 2.048 -15.658 12.123 1.00 34.44 O ATOM 1127 CB ASN A 552 3.687 -14.144 14.749 1.00 74.31 C ATOM 1128 CG ASN A 552 3.810 -13.088 13.668 1.00 3.31 C ATOM 1129 OD1 ASN A 552 2.809 -12.604 13.140 1.00 60.34 O ATOM 1130 ND2 ASN A 552 5.043 -12.725 13.334 1.00 3.53 N ATOM 0 H ASN A 552 3.532 -16.337 15.935 1.00 11.30 H new ATOM 0 HA ASN A 552 1.652 -14.752 14.425 1.00 74.45 H new ATOM 0 HB2 ASN A 552 3.421 -13.666 15.692 1.00 74.31 H new ATOM 0 HB3 ASN A 552 4.655 -14.623 14.897 1.00 74.31 H new ATOM 0 HD21 ASN A 552 5.189 -12.018 12.613 1.00 3.53 H new ATOM 0 HD22 ASN A 552 5.844 -13.153 13.798 1.00 3.53 H new ATOM 1137 N LYS A 553 4.077 -16.341 12.814 1.00 52.31 N ATOM 1138 CA LYS A 553 4.447 -16.909 11.523 1.00 33.32 C ATOM 1139 C LYS A 553 3.491 -18.031 11.129 1.00 52.45 C ATOM 1140 O LYS A 553 2.757 -18.573 11.955 1.00 53.30 O ATOM 1141 CB LYS A 553 5.881 -17.440 11.569 1.00 63.12 C ATOM 1142 CG LYS A 553 6.814 -16.599 12.423 1.00 21.10 C ATOM 1143 CD LYS A 553 6.769 -15.134 12.022 1.00 72.22 C ATOM 1144 CE LYS A 553 7.173 -14.942 10.568 1.00 3.32 C ATOM 1145 NZ LYS A 553 7.404 -13.507 10.242 1.00 21.21 N ATOM 0 H LYS A 553 4.793 -16.432 13.535 1.00 52.31 H new ATOM 0 HA LYS A 553 4.382 -16.120 10.774 1.00 33.32 H new ATOM 0 HB2 LYS A 553 5.870 -18.460 11.954 1.00 63.12 H new ATOM 0 HB3 LYS A 553 6.275 -17.487 10.554 1.00 63.12 H new ATOM 0 HG2 LYS A 553 6.537 -16.698 13.472 1.00 21.10 H new ATOM 0 HG3 LYS A 553 7.833 -16.973 12.326 1.00 21.10 H new ATOM 0 HD2 LYS A 553 5.763 -14.744 12.176 1.00 72.22 H new ATOM 0 HD3 LYS A 553 7.435 -14.559 12.665 1.00 72.22 H new ATOM 0 HE2 LYS A 553 8.080 -15.511 10.365 1.00 3.32 H new ATOM 0 HE3 LYS A 553 6.394 -15.341 9.919 1.00 3.32 H new ATOM 0 HZ1 LYS A 553 8.120 -13.432 9.491 1.00 21.21 H new ATOM 0 HZ2 LYS A 553 6.515 -13.077 9.917 1.00 21.21 H new ATOM 0 HZ3 LYS A 553 7.739 -13.008 11.091 1.00 21.21 H new ATOM 1159 N PRO A 554 3.499 -18.389 9.836 1.00 22.00 N ATOM 1160 CA PRO A 554 2.640 -19.451 9.303 1.00 0.44 C ATOM 1161 C PRO A 554 3.058 -20.834 9.791 1.00 53.30 C ATOM 1162 O PRO A 554 3.676 -21.601 9.054 1.00 74.42 O ATOM 1163 CB PRO A 554 2.833 -19.337 7.789 1.00 12.31 C ATOM 1164 CG PRO A 554 4.176 -18.713 7.624 1.00 33.21 C ATOM 1165 CD PRO A 554 4.349 -17.786 8.795 1.00 15.12 C ATOM 0 HA PRO A 554 1.605 -19.337 9.624 1.00 0.44 H new ATOM 0 HB2 PRO A 554 2.789 -20.315 7.310 1.00 12.31 H new ATOM 0 HB3 PRO A 554 2.054 -18.725 7.336 1.00 12.31 H new ATOM 0 HG2 PRO A 554 4.959 -19.471 7.607 1.00 33.21 H new ATOM 0 HG3 PRO A 554 4.240 -18.168 6.682 1.00 33.21 H new ATOM 0 HD2 PRO A 554 5.391 -17.728 9.111 1.00 15.12 H new ATOM 0 HD3 PRO A 554 4.031 -16.771 8.555 1.00 15.12 H new ATOM 1173 N MET A 555 2.716 -21.145 11.037 1.00 72.11 N ATOM 1174 CA MET A 555 3.054 -22.437 11.622 1.00 65.43 C ATOM 1175 C MET A 555 2.350 -23.570 10.882 1.00 34.12 C ATOM 1176 O MET A 555 2.982 -24.539 10.465 1.00 61.31 O ATOM 1177 CB MET A 555 2.675 -22.466 13.103 1.00 12.04 C ATOM 1178 CG MET A 555 2.779 -23.847 13.731 1.00 53.42 C ATOM 1179 SD MET A 555 4.465 -24.485 13.729 1.00 72.41 S ATOM 1180 CE MET A 555 4.507 -25.335 15.305 1.00 32.11 C ATOM 0 H MET A 555 2.205 -20.520 11.661 1.00 72.11 H new ATOM 0 HA MET A 555 4.131 -22.579 11.528 1.00 65.43 H new ATOM 0 HB2 MET A 555 3.321 -21.778 13.648 1.00 12.04 H new ATOM 0 HB3 MET A 555 1.654 -22.101 13.215 1.00 12.04 H new ATOM 0 HG2 MET A 555 2.412 -23.804 14.756 1.00 53.42 H new ATOM 0 HG3 MET A 555 2.133 -24.538 13.190 1.00 53.42 H new ATOM 0 HE1 MET A 555 5.489 -25.784 15.450 1.00 32.11 H new ATOM 0 HE2 MET A 555 4.311 -24.624 16.107 1.00 32.11 H new ATOM 0 HE3 MET A 555 3.746 -26.115 15.318 1.00 32.11 H new ATOM 1190 N ASN A 556 1.036 -23.441 10.724 1.00 3.31 N ATOM 1191 CA ASN A 556 0.246 -24.455 10.035 1.00 12.55 C ATOM 1192 C ASN A 556 -0.954 -23.825 9.334 1.00 62.03 C ATOM 1193 O ASN A 556 -2.073 -24.329 9.423 1.00 63.41 O ATOM 1194 CB ASN A 556 -0.230 -25.520 11.026 1.00 44.25 C ATOM 1195 CG ASN A 556 -0.577 -26.829 10.344 1.00 62.04 C ATOM 1196 OD1 ASN A 556 -1.334 -26.855 9.373 1.00 45.41 O ATOM 1197 ND2 ASN A 556 -0.024 -27.925 10.850 1.00 3.25 N ATOM 0 H ASN A 556 0.497 -22.645 11.064 1.00 3.31 H new ATOM 0 HA ASN A 556 0.879 -24.925 9.282 1.00 12.55 H new ATOM 0 HB2 ASN A 556 0.548 -25.695 11.769 1.00 44.25 H new ATOM 0 HB3 ASN A 556 -1.104 -25.149 11.562 1.00 44.25 H new ATOM 0 HD21 ASN A 556 -0.221 -28.835 10.433 1.00 3.25 H new ATOM 0 HD22 ASN A 556 0.598 -27.857 11.656 1.00 3.25 H new ATOM 1204 N MET A 557 -0.711 -22.721 8.635 1.00 13.55 N ATOM 1205 CA MET A 557 -1.771 -22.023 7.917 1.00 74.13 C ATOM 1206 C MET A 557 -1.840 -22.487 6.465 1.00 35.33 C ATOM 1207 O MET A 557 -0.964 -23.212 5.994 1.00 35.04 O ATOM 1208 CB MET A 557 -1.544 -20.511 7.971 1.00 72.24 C ATOM 1209 CG MET A 557 -0.248 -20.068 7.312 1.00 1.42 C ATOM 1210 SD MET A 557 -0.467 -19.621 5.579 1.00 4.21 S ATOM 1211 CE MET A 557 0.302 -18.003 5.547 1.00 71.31 C ATOM 0 H MET A 557 0.210 -22.291 8.551 1.00 13.55 H new ATOM 0 HA MET A 557 -2.719 -22.258 8.401 1.00 74.13 H new ATOM 0 HB2 MET A 557 -2.380 -20.009 7.484 1.00 72.24 H new ATOM 0 HB3 MET A 557 -1.541 -20.189 9.012 1.00 72.24 H new ATOM 0 HG2 MET A 557 0.158 -19.214 7.855 1.00 1.42 H new ATOM 0 HG3 MET A 557 0.486 -20.871 7.386 1.00 1.42 H new ATOM 0 HE1 MET A 557 -0.036 -17.457 4.667 1.00 71.31 H new ATOM 0 HE2 MET A 557 0.025 -17.451 6.445 1.00 71.31 H new ATOM 0 HE3 MET A 557 1.386 -18.116 5.510 1.00 71.31 H new ATOM 1221 N GLN A 558 -2.887 -22.065 5.763 1.00 62.12 N ATOM 1222 CA GLN A 558 -3.069 -22.439 4.365 1.00 33.24 C ATOM 1223 C GLN A 558 -3.750 -21.319 3.586 1.00 13.23 C ATOM 1224 O GLN A 558 -4.401 -20.450 4.169 1.00 74.34 O ATOM 1225 CB GLN A 558 -3.895 -23.723 4.263 1.00 40.22 C ATOM 1226 CG GLN A 558 -3.502 -24.782 5.280 1.00 12.21 C ATOM 1227 CD GLN A 558 -4.073 -26.147 4.952 1.00 75.14 C ATOM 1228 OE1 GLN A 558 -5.035 -26.264 4.192 1.00 53.23 O ATOM 1229 NE2 GLN A 558 -3.483 -27.190 5.524 1.00 43.42 N ATOM 0 H GLN A 558 -3.621 -21.465 6.139 1.00 62.12 H new ATOM 0 HA GLN A 558 -2.085 -22.612 3.930 1.00 33.24 H new ATOM 0 HB2 GLN A 558 -4.949 -23.478 4.395 1.00 40.22 H new ATOM 0 HB3 GLN A 558 -3.786 -24.136 3.260 1.00 40.22 H new ATOM 0 HG2 GLN A 558 -2.415 -24.849 5.327 1.00 12.21 H new ATOM 0 HG3 GLN A 558 -3.846 -24.477 6.268 1.00 12.21 H new ATOM 0 HE21 GLN A 558 -2.688 -27.048 6.147 1.00 43.42 H new ATOM 0 HE22 GLN A 558 -3.824 -28.133 5.340 1.00 43.42 H new ATOM 1238 N LEU A 559 -3.596 -21.344 2.267 1.00 1.22 N ATOM 1239 CA LEU A 559 -4.196 -20.330 1.407 1.00 0.43 C ATOM 1240 C LEU A 559 -5.629 -20.704 1.042 1.00 42.21 C ATOM 1241 O LEU A 559 -5.866 -21.695 0.351 1.00 60.52 O ATOM 1242 CB LEU A 559 -3.363 -20.153 0.136 1.00 12.44 C ATOM 1243 CG LEU A 559 -3.870 -19.108 -0.858 1.00 53.22 C ATOM 1244 CD1 LEU A 559 -4.955 -19.698 -1.746 1.00 11.13 C ATOM 1245 CD2 LEU A 559 -4.389 -17.880 -0.124 1.00 3.10 C ATOM 0 H LEU A 559 -3.061 -22.056 1.769 1.00 1.22 H new ATOM 0 HA LEU A 559 -4.215 -19.388 1.956 1.00 0.43 H new ATOM 0 HB2 LEU A 559 -2.347 -19.887 0.426 1.00 12.44 H new ATOM 0 HB3 LEU A 559 -3.307 -21.114 -0.375 1.00 12.44 H new ATOM 0 HG LEU A 559 -3.037 -18.803 -1.491 1.00 53.22 H new ATOM 0 HD11 LEU A 559 -5.304 -18.940 -2.447 1.00 11.13 H new ATOM 0 HD12 LEU A 559 -4.551 -20.546 -2.300 1.00 11.13 H new ATOM 0 HD13 LEU A 559 -5.789 -20.032 -1.129 1.00 11.13 H new ATOM 0 HD21 LEU A 559 -4.746 -17.147 -0.848 1.00 3.10 H new ATOM 0 HD22 LEU A 559 -5.209 -18.169 0.534 1.00 3.10 H new ATOM 0 HD23 LEU A 559 -3.585 -17.443 0.468 1.00 3.10 H new ATOM 1257 N LEU A 560 -6.581 -19.903 1.508 1.00 21.43 N ATOM 1258 CA LEU A 560 -7.992 -20.149 1.229 1.00 44.20 C ATOM 1259 C LEU A 560 -8.569 -19.053 0.339 1.00 51.01 C ATOM 1260 O LEU A 560 -9.543 -19.272 -0.380 1.00 14.24 O ATOM 1261 CB LEU A 560 -8.784 -20.231 2.535 1.00 24.10 C ATOM 1262 CG LEU A 560 -9.181 -18.895 3.164 1.00 30.43 C ATOM 1263 CD1 LEU A 560 -10.597 -18.515 2.759 1.00 3.25 C ATOM 1264 CD2 LEU A 560 -9.057 -18.962 4.680 1.00 53.14 C ATOM 0 H LEU A 560 -6.402 -19.078 2.080 1.00 21.43 H new ATOM 0 HA LEU A 560 -8.073 -21.100 0.702 1.00 44.20 H new ATOM 0 HB2 LEU A 560 -9.691 -20.807 2.351 1.00 24.10 H new ATOM 0 HB3 LEU A 560 -8.193 -20.790 3.261 1.00 24.10 H new ATOM 0 HG LEU A 560 -8.501 -18.126 2.798 1.00 30.43 H new ATOM 0 HD11 LEU A 560 -10.863 -17.562 3.216 1.00 3.25 H new ATOM 0 HD12 LEU A 560 -10.654 -18.426 1.674 1.00 3.25 H new ATOM 0 HD13 LEU A 560 -11.291 -19.285 3.096 1.00 3.25 H new ATOM 0 HD21 LEU A 560 -9.343 -18.003 5.111 1.00 53.14 H new ATOM 0 HD22 LEU A 560 -9.713 -19.743 5.065 1.00 53.14 H new ATOM 0 HD23 LEU A 560 -8.026 -19.188 4.951 1.00 53.14 H new ATOM 1276 N GLY A 561 -7.959 -17.873 0.391 1.00 51.43 N ATOM 1277 CA GLY A 561 -8.425 -16.761 -0.417 1.00 13.41 C ATOM 1278 C GLY A 561 -7.814 -16.755 -1.804 1.00 23.01 C ATOM 1279 O GLY A 561 -7.432 -17.803 -2.326 1.00 11.24 O ATOM 0 H GLY A 561 -7.151 -17.667 0.978 1.00 51.43 H new ATOM 0 HA2 GLY A 561 -9.511 -16.808 -0.502 1.00 13.41 H new ATOM 0 HA3 GLY A 561 -8.185 -15.825 0.086 1.00 13.41 H new ATOM 1283 N ASP A 562 -7.722 -15.573 -2.403 1.00 63.13 N ATOM 1284 CA ASP A 562 -7.153 -15.435 -3.739 1.00 22.41 C ATOM 1285 C ASP A 562 -6.996 -13.965 -4.114 1.00 32.01 C ATOM 1286 O ASP A 562 -7.783 -13.119 -3.691 1.00 35.22 O ATOM 1287 CB ASP A 562 -8.034 -16.146 -4.768 1.00 10.24 C ATOM 1288 CG ASP A 562 -7.372 -16.244 -6.128 1.00 21.12 C ATOM 1289 OD1 ASP A 562 -6.126 -16.319 -6.178 1.00 31.13 O ATOM 1290 OD2 ASP A 562 -8.099 -16.247 -7.143 1.00 15.15 O ATOM 0 H ASP A 562 -8.034 -14.697 -1.985 1.00 63.13 H new ATOM 0 HA ASP A 562 -6.166 -15.898 -3.736 1.00 22.41 H new ATOM 0 HB2 ASP A 562 -8.270 -17.148 -4.409 1.00 10.24 H new ATOM 0 HB3 ASP A 562 -8.979 -15.611 -4.865 1.00 10.24 H new ATOM 1295 N ALA A 563 -5.974 -13.668 -4.910 1.00 21.24 N ATOM 1296 CA ALA A 563 -5.715 -12.301 -5.342 1.00 45.41 C ATOM 1297 C ALA A 563 -6.765 -11.833 -6.343 1.00 55.21 C ATOM 1298 O ALA A 563 -6.981 -12.471 -7.373 1.00 14.10 O ATOM 1299 CB ALA A 563 -4.322 -12.193 -5.947 1.00 34.34 C ATOM 0 H ALA A 563 -5.312 -14.356 -5.269 1.00 21.24 H new ATOM 0 HA ALA A 563 -5.771 -11.654 -4.467 1.00 45.41 H new ATOM 0 HB1 ALA A 563 -4.142 -11.166 -6.265 1.00 34.34 H new ATOM 0 HB2 ALA A 563 -3.579 -12.477 -5.202 1.00 34.34 H new ATOM 0 HB3 ALA A 563 -4.246 -12.858 -6.807 1.00 34.34 H new ATOM 1305 N GLN A 564 -7.416 -10.716 -6.033 1.00 20.13 N ATOM 1306 CA GLN A 564 -8.446 -10.165 -6.906 1.00 4.44 C ATOM 1307 C GLN A 564 -7.900 -9.930 -8.310 1.00 41.03 C ATOM 1308 O GLN A 564 -8.385 -10.512 -9.281 1.00 41.24 O ATOM 1309 CB GLN A 564 -8.984 -8.854 -6.329 1.00 72.03 C ATOM 1310 CG GLN A 564 -10.460 -8.625 -6.615 1.00 4.22 C ATOM 1311 CD GLN A 564 -11.361 -9.495 -5.761 1.00 52.42 C ATOM 1312 OE1 GLN A 564 -11.523 -9.254 -4.564 1.00 74.15 O ATOM 1313 NE2 GLN A 564 -11.954 -10.513 -6.373 1.00 71.03 N ATOM 0 H GLN A 564 -7.248 -10.175 -5.184 1.00 20.13 H new ATOM 0 HA GLN A 564 -9.260 -10.888 -6.969 1.00 4.44 H new ATOM 0 HB2 GLN A 564 -8.826 -8.849 -5.250 1.00 72.03 H new ATOM 0 HB3 GLN A 564 -8.410 -8.023 -6.739 1.00 72.03 H new ATOM 0 HG2 GLN A 564 -10.702 -7.577 -6.440 1.00 4.22 H new ATOM 0 HG3 GLN A 564 -10.658 -8.827 -7.668 1.00 4.22 H new ATOM 0 HE21 GLN A 564 -11.791 -10.676 -7.367 1.00 71.03 H new ATOM 0 HE22 GLN A 564 -12.572 -11.133 -5.849 1.00 71.03 H new TER 1322 GLN A 564