USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=14 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 Single : A 480 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 486 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 487 GLN : amide:sc= -6.53! C(o=-6.5!,f=-12!) USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-2.9!) USER MOD Single : A 510 ASN : amide:sc= 0 X(o=0,f=-0.02) 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 180:sc= 0 USER MOD Single : A 521 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 523 LYS NZ :NH3+ 152:sc= -0.116 (180deg=-0.599) USER MOD Single : A 527 SER OG : rot -56:sc= 0.00964 USER MOD Single : A 528 HIS : no HE2:sc= -0.519 K(o=-0.52,f=-3.9!) USER MOD Single : A 529 SER OG : rot -87:sc= -0.219 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 535 LYS NZ :NH3+ -164:sc= -0.0488 (180deg=-0.381) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.5) USER MOD Single : A 544 HIS : no HD1:sc= -0.0941 X(o=-0.094,f=0) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 552 ASN : amide:sc= -2.43 X(o=-2.4,f=-2.4!) USER MOD Single : A 553 LYS NZ :NH3+ 148:sc= -0.184 (180deg=-2.08!) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= -0.0509 K(o=-0.051,f=-0.95!) USER MOD Single : A 557 MET CE :methyl -175:sc= 0 (180deg=-0.0407) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 564 GLN : amide:sc= -0.0515 K(o=-0.052,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 480 -2.108 -0.710 -1.940 1.00 31.13 N ATOM 2 CA MET A 480 -1.032 -0.452 -2.889 1.00 40.24 C ATOM 3 C MET A 480 0.142 -1.397 -2.651 1.00 53.42 C ATOM 4 O MET A 480 0.779 -1.357 -1.599 1.00 40.43 O ATOM 5 CB MET A 480 -0.563 1.000 -2.779 1.00 53.32 C ATOM 6 CG MET A 480 -1.680 2.015 -2.964 1.00 60.01 C ATOM 7 SD MET A 480 -2.399 1.963 -4.617 1.00 44.30 S ATOM 8 CE MET A 480 -2.125 3.649 -5.158 1.00 64.42 C ATOM 0 HA MET A 480 -1.418 -0.627 -3.893 1.00 40.24 H new ATOM 0 HB2 MET A 480 -0.103 1.152 -1.802 1.00 53.32 H new ATOM 0 HB3 MET A 480 0.209 1.181 -3.527 1.00 53.32 H new ATOM 0 HG2 MET A 480 -2.461 1.829 -2.226 1.00 60.01 H new ATOM 0 HG3 MET A 480 -1.292 3.015 -2.772 1.00 60.01 H new ATOM 0 HE1 MET A 480 -2.517 3.775 -6.167 1.00 64.42 H new ATOM 0 HE2 MET A 480 -2.635 4.335 -4.482 1.00 64.42 H new ATOM 0 HE3 MET A 480 -1.056 3.863 -5.154 1.00 64.42 H new ATOM 18 N ALA A 481 0.421 -2.246 -3.635 1.00 1.42 N ATOM 19 CA ALA A 481 1.519 -3.199 -3.532 1.00 50.11 C ATOM 20 C ALA A 481 2.300 -3.279 -4.839 1.00 63.12 C ATOM 21 O ALA A 481 2.107 -2.463 -5.740 1.00 74.04 O ATOM 22 CB ALA A 481 0.991 -4.572 -3.146 1.00 31.55 C ATOM 0 H ALA A 481 -0.098 -2.293 -4.512 1.00 1.42 H new ATOM 0 HA ALA A 481 2.198 -2.851 -2.754 1.00 50.11 H new ATOM 0 HB1 ALA A 481 1.822 -5.274 -3.073 1.00 31.55 H new ATOM 0 HB2 ALA A 481 0.483 -4.509 -2.184 1.00 31.55 H new ATOM 0 HB3 ALA A 481 0.289 -4.918 -3.905 1.00 31.55 H new ATOM 28 N ASP A 482 3.184 -4.267 -4.935 1.00 52.41 N ATOM 29 CA ASP A 482 3.995 -4.453 -6.133 1.00 34.42 C ATOM 30 C ASP A 482 3.181 -5.112 -7.242 1.00 61.24 C ATOM 31 O ASP A 482 3.322 -4.770 -8.417 1.00 22.33 O ATOM 32 CB ASP A 482 5.226 -5.302 -5.813 1.00 61.45 C ATOM 33 CG ASP A 482 6.501 -4.709 -6.381 1.00 31.54 C ATOM 34 OD1 ASP A 482 6.591 -4.570 -7.619 1.00 2.55 O ATOM 35 OD2 ASP A 482 7.408 -4.385 -5.587 1.00 1.54 O ATOM 0 H ASP A 482 3.357 -4.951 -4.198 1.00 52.41 H new ATOM 0 HA ASP A 482 4.320 -3.472 -6.479 1.00 34.42 H new ATOM 0 HB2 ASP A 482 5.325 -5.401 -4.732 1.00 61.45 H new ATOM 0 HB3 ASP A 482 5.086 -6.306 -6.213 1.00 61.45 H new ATOM 40 N VAL A 483 2.330 -6.060 -6.862 1.00 52.35 N ATOM 41 CA VAL A 483 1.493 -6.767 -7.825 1.00 5.20 C ATOM 42 C VAL A 483 0.041 -6.809 -7.364 1.00 52.34 C ATOM 43 O VAL A 483 -0.880 -6.659 -8.166 1.00 72.33 O ATOM 44 CB VAL A 483 1.991 -8.207 -8.050 1.00 21.15 C ATOM 45 CG1 VAL A 483 2.075 -8.955 -6.728 1.00 33.41 C ATOM 46 CG2 VAL A 483 1.084 -8.937 -9.029 1.00 22.14 C ATOM 0 H VAL A 483 2.202 -6.356 -5.894 1.00 52.35 H new ATOM 0 HA VAL A 483 1.557 -6.217 -8.764 1.00 5.20 H new ATOM 0 HB VAL A 483 2.992 -8.165 -8.480 1.00 21.15 H new ATOM 0 HG11 VAL A 483 2.429 -9.971 -6.906 1.00 33.41 H new ATOM 0 HG12 VAL A 483 2.769 -8.441 -6.063 1.00 33.41 H new ATOM 0 HG13 VAL A 483 1.088 -8.990 -6.267 1.00 33.41 H new ATOM 0 HG21 VAL A 483 1.451 -9.953 -9.176 1.00 22.14 H new ATOM 0 HG22 VAL A 483 0.070 -8.971 -8.630 1.00 22.14 H new ATOM 0 HG23 VAL A 483 1.080 -8.411 -9.983 1.00 22.14 H new ATOM 56 N GLY A 484 -0.157 -7.013 -6.065 1.00 51.15 N ATOM 57 CA GLY A 484 -1.501 -7.070 -5.520 1.00 25.42 C ATOM 58 C GLY A 484 -1.795 -8.395 -4.843 1.00 53.53 C ATOM 59 O GLY A 484 -2.932 -8.868 -4.859 1.00 2.34 O ATOM 0 H GLY A 484 0.589 -7.140 -5.381 1.00 51.15 H new ATOM 0 HA2 GLY A 484 -1.633 -6.261 -4.802 1.00 25.42 H new ATOM 0 HA3 GLY A 484 -2.222 -6.906 -6.321 1.00 25.42 H new ATOM 63 N ASP A 485 -0.770 -8.995 -4.250 1.00 2.24 N ATOM 64 CA ASP A 485 -0.924 -10.273 -3.565 1.00 20.11 C ATOM 65 C ASP A 485 -1.811 -10.126 -2.333 1.00 31.04 C ATOM 66 O ASP A 485 -1.324 -9.867 -1.233 1.00 21.45 O ATOM 67 CB ASP A 485 0.443 -10.828 -3.161 1.00 50.03 C ATOM 68 CG ASP A 485 0.455 -12.342 -3.090 1.00 30.32 C ATOM 69 OD1 ASP A 485 0.272 -12.885 -1.980 1.00 51.22 O ATOM 70 OD2 ASP A 485 0.648 -12.985 -4.143 1.00 43.12 O ATOM 0 H ASP A 485 0.177 -8.617 -4.230 1.00 2.24 H new ATOM 0 HA ASP A 485 -1.402 -10.970 -4.253 1.00 20.11 H new ATOM 0 HB2 ASP A 485 1.193 -10.495 -3.878 1.00 50.03 H new ATOM 0 HB3 ASP A 485 0.725 -10.419 -2.191 1.00 50.03 H new ATOM 75 N MET A 486 -3.116 -10.292 -2.526 1.00 5.44 N ATOM 76 CA MET A 486 -4.070 -10.177 -1.429 1.00 74.24 C ATOM 77 C MET A 486 -4.938 -11.428 -1.332 1.00 13.23 C ATOM 78 O MET A 486 -5.654 -11.772 -2.272 1.00 44.11 O ATOM 79 CB MET A 486 -4.954 -8.943 -1.621 1.00 2.11 C ATOM 80 CG MET A 486 -5.995 -8.765 -0.528 1.00 31.32 C ATOM 81 SD MET A 486 -7.212 -7.496 -0.928 1.00 33.55 S ATOM 82 CE MET A 486 -6.544 -6.094 -0.037 1.00 43.51 C ATOM 0 H MET A 486 -3.536 -10.506 -3.430 1.00 5.44 H new ATOM 0 HA MET A 486 -3.508 -10.072 -0.501 1.00 74.24 H new ATOM 0 HB2 MET A 486 -4.322 -8.056 -1.657 1.00 2.11 H new ATOM 0 HB3 MET A 486 -5.459 -9.014 -2.584 1.00 2.11 H new ATOM 0 HG2 MET A 486 -6.506 -9.713 -0.361 1.00 31.32 H new ATOM 0 HG3 MET A 486 -5.496 -8.503 0.405 1.00 31.32 H new ATOM 0 HE1 MET A 486 -7.188 -5.227 -0.186 1.00 43.51 H new ATOM 0 HE2 MET A 486 -6.493 -6.329 1.026 1.00 43.51 H new ATOM 0 HE3 MET A 486 -5.544 -5.871 -0.408 1.00 43.51 H new ATOM 92 N GLN A 487 -4.869 -12.103 -0.189 1.00 12.22 N ATOM 93 CA GLN A 487 -5.648 -13.316 0.030 1.00 55.33 C ATOM 94 C GLN A 487 -5.940 -13.516 1.513 1.00 5.13 C ATOM 95 O GLN A 487 -5.451 -12.766 2.359 1.00 10.34 O ATOM 96 CB GLN A 487 -4.905 -14.532 -0.525 1.00 3.11 C ATOM 97 CG GLN A 487 -4.539 -14.403 -1.995 1.00 33.31 C ATOM 98 CD GLN A 487 -3.924 -15.670 -2.556 1.00 42.12 C ATOM 99 OE1 GLN A 487 -4.566 -16.720 -2.598 1.00 45.00 O ATOM 100 NE2 GLN A 487 -2.673 -15.578 -2.992 1.00 2.20 N ATOM 0 H GLN A 487 -4.282 -11.831 0.599 1.00 12.22 H new ATOM 0 HA GLN A 487 -6.596 -13.208 -0.496 1.00 55.33 H new ATOM 0 HB2 GLN A 487 -3.995 -14.687 0.055 1.00 3.11 H new ATOM 0 HB3 GLN A 487 -5.524 -15.419 -0.390 1.00 3.11 H new ATOM 0 HG2 GLN A 487 -5.432 -14.153 -2.567 1.00 33.31 H new ATOM 0 HG3 GLN A 487 -3.839 -13.577 -2.120 1.00 33.31 H new ATOM 0 HE21 GLN A 487 -2.178 -14.688 -2.938 1.00 2.20 H new ATOM 0 HE22 GLN A 487 -2.207 -16.398 -3.381 1.00 2.20 H new ATOM 109 N LEU A 488 -6.738 -14.531 1.823 1.00 70.54 N ATOM 110 CA LEU A 488 -7.095 -14.831 3.205 1.00 1.41 C ATOM 111 C LEU A 488 -6.378 -16.085 3.693 1.00 21.33 C ATOM 112 O LEU A 488 -6.670 -17.194 3.244 1.00 12.05 O ATOM 113 CB LEU A 488 -8.608 -15.011 3.334 1.00 34.42 C ATOM 114 CG LEU A 488 -9.162 -15.035 4.759 1.00 34.21 C ATOM 115 CD1 LEU A 488 -8.987 -13.678 5.423 1.00 62.21 C ATOM 116 CD2 LEU A 488 -10.628 -15.443 4.755 1.00 75.04 C ATOM 0 H LEU A 488 -7.151 -15.161 1.135 1.00 70.54 H new ATOM 0 HA LEU A 488 -6.781 -13.992 3.826 1.00 1.41 H new ATOM 0 HB2 LEU A 488 -9.098 -14.204 2.789 1.00 34.42 H new ATOM 0 HB3 LEU A 488 -8.886 -15.943 2.842 1.00 34.42 H new ATOM 0 HG LEU A 488 -8.602 -15.773 5.333 1.00 34.21 H new ATOM 0 HD11 LEU A 488 -9.387 -13.714 6.436 1.00 62.21 H new ATOM 0 HD12 LEU A 488 -7.927 -13.425 5.460 1.00 62.21 H new ATOM 0 HD13 LEU A 488 -9.521 -12.921 4.849 1.00 62.21 H new ATOM 0 HD21 LEU A 488 -11.005 -15.455 5.778 1.00 75.04 H new ATOM 0 HD22 LEU A 488 -11.203 -14.730 4.164 1.00 75.04 H new ATOM 0 HD23 LEU A 488 -10.728 -16.438 4.320 1.00 75.04 H new ATOM 128 N TYR A 489 -5.440 -15.903 4.616 1.00 20.10 N ATOM 129 CA TYR A 489 -4.681 -17.020 5.165 1.00 30.34 C ATOM 130 C TYR A 489 -5.053 -17.267 6.624 1.00 13.22 C ATOM 131 O TYR A 489 -4.796 -16.432 7.492 1.00 55.23 O ATOM 132 CB TYR A 489 -3.180 -16.750 5.049 1.00 21.51 C ATOM 133 CG TYR A 489 -2.816 -15.838 3.900 1.00 1.51 C ATOM 134 CD1 TYR A 489 -2.836 -14.457 4.051 1.00 53.43 C ATOM 135 CD2 TYR A 489 -2.451 -16.356 2.664 1.00 64.41 C ATOM 136 CE1 TYR A 489 -2.505 -13.619 3.003 1.00 13.13 C ATOM 137 CE2 TYR A 489 -2.117 -15.526 1.611 1.00 24.33 C ATOM 138 CZ TYR A 489 -2.146 -14.158 1.786 1.00 60.42 C ATOM 139 OH TYR A 489 -1.814 -13.327 0.740 1.00 31.34 O ATOM 0 H TYR A 489 -5.187 -14.992 5.000 1.00 20.10 H new ATOM 0 HA TYR A 489 -4.929 -17.912 4.590 1.00 30.34 H new ATOM 0 HB2 TYR A 489 -2.826 -16.307 5.980 1.00 21.51 H new ATOM 0 HB3 TYR A 489 -2.657 -17.699 4.929 1.00 21.51 H new ATOM 0 HD1 TYR A 489 -3.115 -14.031 5.003 1.00 53.43 H new ATOM 0 HD2 TYR A 489 -2.428 -17.427 2.523 1.00 64.41 H new ATOM 0 HE1 TYR A 489 -2.527 -12.548 3.137 1.00 13.13 H new ATOM 0 HE2 TYR A 489 -1.835 -15.946 0.657 1.00 24.33 H new ATOM 0 HH TYR A 489 -1.585 -13.866 -0.046 1.00 31.34 H new ATOM 149 N ARG A 490 -5.660 -18.420 6.886 1.00 3.05 N ATOM 150 CA ARG A 490 -6.068 -18.778 8.239 1.00 14.24 C ATOM 151 C ARG A 490 -5.070 -19.743 8.872 1.00 42.23 C ATOM 152 O ARG A 490 -4.680 -20.737 8.259 1.00 22.32 O ATOM 153 CB ARG A 490 -7.463 -19.407 8.224 1.00 24.41 C ATOM 154 CG ARG A 490 -7.568 -20.631 7.329 1.00 33.42 C ATOM 155 CD ARG A 490 -7.756 -21.902 8.143 1.00 31.12 C ATOM 156 NE ARG A 490 -9.123 -22.410 8.058 1.00 42.20 N ATOM 157 CZ ARG A 490 -9.517 -23.555 8.604 1.00 62.04 C ATOM 158 NH1 ARG A 490 -8.652 -24.307 9.271 1.00 75.22 N ATOM 159 NH2 ARG A 490 -10.778 -23.950 8.483 1.00 42.31 N ATOM 0 H ARG A 490 -5.880 -19.122 6.179 1.00 3.05 H new ATOM 0 HA ARG A 490 -6.094 -17.867 8.836 1.00 14.24 H new ATOM 0 HB2 ARG A 490 -7.738 -19.686 9.241 1.00 24.41 H new ATOM 0 HB3 ARG A 490 -8.185 -18.661 7.892 1.00 24.41 H new ATOM 0 HG2 ARG A 490 -8.406 -20.510 6.642 1.00 33.42 H new ATOM 0 HG3 ARG A 490 -6.667 -20.717 6.721 1.00 33.42 H new ATOM 0 HD2 ARG A 490 -7.063 -22.665 7.789 1.00 31.12 H new ATOM 0 HD3 ARG A 490 -7.507 -21.705 9.186 1.00 31.12 H new ATOM 0 HE ARG A 490 -9.813 -21.855 7.552 1.00 42.20 H new ATOM 0 HH11 ARG A 490 -7.682 -24.007 9.366 1.00 75.22 H new ATOM 0 HH12 ARG A 490 -8.957 -25.186 9.689 1.00 75.22 H new ATOM 0 HH21 ARG A 490 -11.446 -23.374 7.970 1.00 42.31 H new ATOM 0 HH22 ARG A 490 -11.079 -24.829 8.903 1.00 42.31 H new ATOM 173 N ILE A 491 -4.660 -19.442 10.099 1.00 11.33 N ATOM 174 CA ILE A 491 -3.708 -20.283 10.814 1.00 2.40 C ATOM 175 C ILE A 491 -4.417 -21.185 11.818 1.00 61.32 C ATOM 176 O ILE A 491 -5.589 -20.980 12.132 1.00 4.31 O ATOM 177 CB ILE A 491 -2.656 -19.437 11.555 1.00 5.31 C ATOM 178 CG1 ILE A 491 -3.308 -18.661 12.701 1.00 30.24 C ATOM 179 CG2 ILE A 491 -1.965 -18.485 10.590 1.00 54.14 C ATOM 180 CD1 ILE A 491 -2.329 -17.836 13.507 1.00 21.53 C ATOM 0 H ILE A 491 -4.972 -18.622 10.619 1.00 11.33 H new ATOM 0 HA ILE A 491 -3.207 -20.898 10.067 1.00 2.40 H new ATOM 0 HB ILE A 491 -1.905 -20.106 11.975 1.00 5.31 H new ATOM 0 HG12 ILE A 491 -4.075 -18.003 12.293 1.00 30.24 H new ATOM 0 HG13 ILE A 491 -3.811 -19.364 13.365 1.00 30.24 H new ATOM 0 HG21 ILE A 491 -1.225 -17.894 11.129 1.00 54.14 H new ATOM 0 HG22 ILE A 491 -1.471 -19.058 9.805 1.00 54.14 H new ATOM 0 HG23 ILE A 491 -2.704 -17.820 10.143 1.00 54.14 H new ATOM 0 HD11 ILE A 491 -2.861 -17.313 14.302 1.00 21.53 H new ATOM 0 HD12 ILE A 491 -1.575 -18.491 13.945 1.00 21.53 H new ATOM 0 HD13 ILE A 491 -1.844 -17.109 12.856 1.00 21.53 H new ATOM 192 N GLU A 492 -3.697 -22.185 12.318 1.00 10.44 N ATOM 193 CA GLU A 492 -4.258 -23.118 13.288 1.00 61.20 C ATOM 194 C GLU A 492 -3.911 -22.697 14.713 1.00 45.11 C ATOM 195 O GLU A 492 -3.415 -23.498 15.506 1.00 41.32 O ATOM 196 CB GLU A 492 -3.742 -24.534 13.023 1.00 30.21 C ATOM 197 CG GLU A 492 -4.476 -25.607 13.810 1.00 11.44 C ATOM 198 CD GLU A 492 -4.223 -27.001 13.272 1.00 31.52 C ATOM 199 OE1 GLU A 492 -4.377 -27.971 14.044 1.00 24.30 O ATOM 200 OE2 GLU A 492 -3.872 -27.123 12.080 1.00 24.53 O ATOM 0 H GLU A 492 -2.726 -22.369 12.068 1.00 10.44 H new ATOM 0 HA GLU A 492 -5.342 -23.107 13.179 1.00 61.20 H new ATOM 0 HB2 GLU A 492 -3.832 -24.751 11.959 1.00 30.21 H new ATOM 0 HB3 GLU A 492 -2.681 -24.577 13.269 1.00 30.21 H new ATOM 0 HG2 GLU A 492 -4.166 -25.563 14.854 1.00 11.44 H new ATOM 0 HG3 GLU A 492 -5.546 -25.401 13.787 1.00 11.44 H new ATOM 207 N VAL A 493 -4.174 -21.433 15.031 1.00 61.30 N ATOM 208 CA VAL A 493 -3.890 -20.904 16.360 1.00 72.43 C ATOM 209 C VAL A 493 -4.964 -19.915 16.798 1.00 32.22 C ATOM 210 O VAL A 493 -5.459 -19.124 15.996 1.00 34.43 O ATOM 211 CB VAL A 493 -2.517 -20.208 16.405 1.00 31.12 C ATOM 212 CG1 VAL A 493 -2.079 -19.984 17.845 1.00 55.44 C ATOM 213 CG2 VAL A 493 -1.481 -21.023 15.645 1.00 35.14 C ATOM 0 H VAL A 493 -4.583 -20.757 14.386 1.00 61.30 H new ATOM 0 HA VAL A 493 -3.881 -21.753 17.044 1.00 72.43 H new ATOM 0 HB VAL A 493 -2.606 -19.235 15.922 1.00 31.12 H new ATOM 0 HG11 VAL A 493 -1.107 -19.491 17.857 1.00 55.44 H new ATOM 0 HG12 VAL A 493 -2.810 -19.356 18.354 1.00 55.44 H new ATOM 0 HG13 VAL A 493 -2.006 -20.944 18.356 1.00 55.44 H new ATOM 0 HG21 VAL A 493 -0.517 -20.516 15.687 1.00 35.14 H new ATOM 0 HG22 VAL A 493 -1.392 -22.011 16.097 1.00 35.14 H new ATOM 0 HG23 VAL A 493 -1.791 -21.127 14.605 1.00 35.14 H new ATOM 223 N GLY A 494 -5.320 -19.965 18.078 1.00 21.05 N ATOM 224 CA GLY A 494 -6.333 -19.068 18.602 1.00 12.23 C ATOM 225 C GLY A 494 -6.131 -18.760 20.073 1.00 60.13 C ATOM 226 O GLY A 494 -5.091 -19.088 20.645 1.00 53.40 O ATOM 0 H GLY A 494 -4.925 -20.611 18.761 1.00 21.05 H new ATOM 0 HA2 GLY A 494 -6.319 -18.138 18.034 1.00 12.23 H new ATOM 0 HA3 GLY A 494 -7.317 -19.514 18.459 1.00 12.23 H new ATOM 230 N ARG A 495 -7.126 -18.128 20.686 1.00 52.44 N ATOM 231 CA ARG A 495 -7.051 -17.773 22.098 1.00 54.13 C ATOM 232 C ARG A 495 -6.755 -19.002 22.952 1.00 61.00 C ATOM 233 O ARG A 495 -5.999 -18.929 23.921 1.00 31.11 O ATOM 234 CB ARG A 495 -8.361 -17.126 22.553 1.00 3.00 C ATOM 235 CG ARG A 495 -9.600 -17.906 22.145 1.00 23.21 C ATOM 236 CD ARG A 495 -10.864 -17.281 22.714 1.00 21.31 C ATOM 237 NE ARG A 495 -11.247 -16.069 21.995 1.00 23.11 N ATOM 238 CZ ARG A 495 -11.888 -16.076 20.832 1.00 71.22 C ATOM 239 NH1 ARG A 495 -12.217 -17.226 20.259 1.00 12.05 N ATOM 240 NH2 ARG A 495 -12.202 -14.931 20.239 1.00 32.40 N ATOM 0 H ARG A 495 -7.994 -17.851 20.227 1.00 52.44 H new ATOM 0 HA ARG A 495 -6.237 -17.059 22.225 1.00 54.13 H new ATOM 0 HB2 ARG A 495 -8.348 -17.023 23.638 1.00 3.00 H new ATOM 0 HB3 ARG A 495 -8.423 -16.120 22.138 1.00 3.00 H new ATOM 0 HG2 ARG A 495 -9.668 -17.941 21.058 1.00 23.21 H new ATOM 0 HG3 ARG A 495 -9.514 -18.936 22.492 1.00 23.21 H new ATOM 0 HD2 ARG A 495 -11.679 -18.003 22.666 1.00 21.31 H new ATOM 0 HD3 ARG A 495 -10.709 -17.044 23.767 1.00 21.31 H new ATOM 0 HE ARG A 495 -11.009 -15.168 22.409 1.00 23.11 H new ATOM 0 HH11 ARG A 495 -11.978 -18.108 20.712 1.00 12.05 H new ATOM 0 HH12 ARG A 495 -12.709 -17.228 19.366 1.00 12.05 H new ATOM 0 HH21 ARG A 495 -11.951 -14.044 20.677 1.00 32.40 H new ATOM 0 HH22 ARG A 495 -12.694 -14.938 19.346 1.00 32.40 H new ATOM 254 N ASP A 496 -7.355 -20.129 22.586 1.00 33.10 N ATOM 255 CA ASP A 496 -7.155 -21.374 23.318 1.00 34.41 C ATOM 256 C ASP A 496 -5.727 -21.881 23.148 1.00 23.42 C ATOM 257 O ASP A 496 -5.254 -22.709 23.928 1.00 52.31 O ATOM 258 CB ASP A 496 -8.147 -22.436 22.840 1.00 21.53 C ATOM 259 CG ASP A 496 -8.505 -23.427 23.931 1.00 41.30 C ATOM 260 OD1 ASP A 496 -7.587 -23.877 24.649 1.00 52.12 O ATOM 261 OD2 ASP A 496 -9.703 -23.751 24.067 1.00 0.14 O ATOM 0 H ASP A 496 -7.984 -20.206 21.787 1.00 33.10 H new ATOM 0 HA ASP A 496 -7.327 -21.177 24.376 1.00 34.41 H new ATOM 0 HB2 ASP A 496 -9.054 -21.948 22.485 1.00 21.53 H new ATOM 0 HB3 ASP A 496 -7.721 -22.972 21.992 1.00 21.53 H new ATOM 266 N ASP A 497 -5.045 -21.381 22.124 1.00 3.31 N ATOM 267 CA ASP A 497 -3.670 -21.783 21.851 1.00 3.34 C ATOM 268 C ASP A 497 -2.683 -20.812 22.492 1.00 45.11 C ATOM 269 O ASP A 497 -1.653 -21.221 23.027 1.00 42.51 O ATOM 270 CB ASP A 497 -3.427 -21.856 20.343 1.00 4.42 C ATOM 271 CG ASP A 497 -2.182 -22.648 19.995 1.00 71.40 C ATOM 272 OD1 ASP A 497 -1.284 -22.751 20.856 1.00 32.05 O ATOM 273 OD2 ASP A 497 -2.106 -23.165 18.861 1.00 63.45 O ATOM 0 H ASP A 497 -5.422 -20.696 21.469 1.00 3.31 H new ATOM 0 HA ASP A 497 -3.513 -22.771 22.284 1.00 3.34 H new ATOM 0 HB2 ASP A 497 -4.291 -22.312 19.860 1.00 4.42 H new ATOM 0 HB3 ASP A 497 -3.335 -20.846 19.943 1.00 4.42 H new ATOM 278 N GLY A 498 -3.004 -19.523 22.432 1.00 33.13 N ATOM 279 CA GLY A 498 -2.135 -18.514 23.009 1.00 32.10 C ATOM 280 C GLY A 498 -1.896 -17.349 22.069 1.00 31.03 C ATOM 281 O GLY A 498 -0.810 -16.769 22.052 1.00 54.15 O ATOM 0 H GLY A 498 -3.850 -19.160 21.994 1.00 33.13 H new ATOM 0 HA2 GLY A 498 -2.576 -18.145 23.935 1.00 32.10 H new ATOM 0 HA3 GLY A 498 -1.179 -18.968 23.270 1.00 32.10 H new ATOM 285 N VAL A 499 -2.912 -17.006 21.284 1.00 13.21 N ATOM 286 CA VAL A 499 -2.808 -15.903 20.336 1.00 4.35 C ATOM 287 C VAL A 499 -4.051 -15.022 20.379 1.00 10.42 C ATOM 288 O VAL A 499 -5.150 -15.496 20.664 1.00 60.44 O ATOM 289 CB VAL A 499 -2.604 -16.415 18.898 1.00 32.44 C ATOM 290 CG1 VAL A 499 -3.925 -16.885 18.307 1.00 24.32 C ATOM 291 CG2 VAL A 499 -1.977 -15.334 18.031 1.00 32.24 C ATOM 0 H VAL A 499 -3.817 -17.476 21.286 1.00 13.21 H new ATOM 0 HA VAL A 499 -1.939 -15.314 20.630 1.00 4.35 H new ATOM 0 HB VAL A 499 -1.923 -17.265 18.927 1.00 32.44 H new ATOM 0 HG11 VAL A 499 -3.762 -17.243 17.291 1.00 24.32 H new ATOM 0 HG12 VAL A 499 -4.329 -17.693 18.916 1.00 24.32 H new ATOM 0 HG13 VAL A 499 -4.632 -16.055 18.290 1.00 24.32 H new ATOM 0 HG21 VAL A 499 -1.840 -15.714 17.018 1.00 32.24 H new ATOM 0 HG22 VAL A 499 -2.631 -14.462 18.007 1.00 32.24 H new ATOM 0 HG23 VAL A 499 -1.010 -15.050 18.446 1.00 32.24 H new ATOM 301 N GLU A 500 -3.869 -13.736 20.094 1.00 21.00 N ATOM 302 CA GLU A 500 -4.977 -12.788 20.100 1.00 31.44 C ATOM 303 C GLU A 500 -5.045 -12.022 18.783 1.00 41.43 C ATOM 304 O GLU A 500 -4.315 -12.322 17.838 1.00 23.23 O ATOM 305 CB GLU A 500 -4.833 -11.808 21.267 1.00 64.35 C ATOM 306 CG GLU A 500 -4.379 -12.464 22.560 1.00 42.01 C ATOM 307 CD GLU A 500 -4.985 -11.813 23.788 1.00 44.30 C ATOM 308 OE1 GLU A 500 -5.333 -10.616 23.713 1.00 3.50 O ATOM 309 OE2 GLU A 500 -5.110 -12.499 24.823 1.00 34.14 O ATOM 0 H GLU A 500 -2.965 -13.327 19.856 1.00 21.00 H new ATOM 0 HA GLU A 500 -5.902 -13.351 20.220 1.00 31.44 H new ATOM 0 HB2 GLU A 500 -4.118 -11.032 20.993 1.00 64.35 H new ATOM 0 HB3 GLU A 500 -5.790 -11.315 21.436 1.00 64.35 H new ATOM 0 HG2 GLU A 500 -4.650 -13.520 22.542 1.00 42.01 H new ATOM 0 HG3 GLU A 500 -3.292 -12.415 22.626 1.00 42.01 H new ATOM 316 N VAL A 501 -5.928 -11.030 18.727 1.00 41.51 N ATOM 317 CA VAL A 501 -6.092 -10.219 17.526 1.00 2.33 C ATOM 318 C VAL A 501 -4.958 -9.210 17.386 1.00 43.44 C ATOM 319 O VAL A 501 -4.563 -8.855 16.275 1.00 61.23 O ATOM 320 CB VAL A 501 -7.436 -9.466 17.536 1.00 24.15 C ATOM 321 CG1 VAL A 501 -7.549 -8.559 16.321 1.00 73.45 C ATOM 322 CG2 VAL A 501 -8.596 -10.449 17.589 1.00 3.33 C ATOM 0 H VAL A 501 -6.541 -10.769 19.499 1.00 41.51 H new ATOM 0 HA VAL A 501 -6.074 -10.903 16.677 1.00 2.33 H new ATOM 0 HB VAL A 501 -7.477 -8.842 18.429 1.00 24.15 H new ATOM 0 HG11 VAL A 501 -8.505 -8.036 16.345 1.00 73.45 H new ATOM 0 HG12 VAL A 501 -6.737 -7.832 16.333 1.00 73.45 H new ATOM 0 HG13 VAL A 501 -7.487 -9.158 15.413 1.00 73.45 H new ATOM 0 HG21 VAL A 501 -9.538 -9.900 17.595 1.00 3.33 H new ATOM 0 HG22 VAL A 501 -8.561 -11.100 16.716 1.00 3.33 H new ATOM 0 HG23 VAL A 501 -8.521 -11.052 18.494 1.00 3.33 H new ATOM 332 N ARG A 502 -4.437 -8.751 18.519 1.00 14.31 N ATOM 333 CA ARG A 502 -3.348 -7.781 18.522 1.00 34.35 C ATOM 334 C ARG A 502 -1.995 -8.484 18.488 1.00 64.33 C ATOM 335 O ARG A 502 -0.948 -7.837 18.444 1.00 1.12 O ATOM 336 CB ARG A 502 -3.438 -6.886 19.759 1.00 14.44 C ATOM 337 CG ARG A 502 -3.472 -7.657 21.069 1.00 40.13 C ATOM 338 CD ARG A 502 -3.134 -6.762 22.251 1.00 63.40 C ATOM 339 NE ARG A 502 -1.694 -6.675 22.477 1.00 45.22 N ATOM 340 CZ ARG A 502 -1.150 -6.092 23.540 1.00 53.35 C ATOM 341 NH1 ARG A 502 -1.924 -5.548 24.469 1.00 4.11 N ATOM 342 NH2 ARG A 502 0.169 -6.052 23.674 1.00 21.22 N ATOM 0 H ARG A 502 -4.751 -9.035 19.447 1.00 14.31 H new ATOM 0 HA ARG A 502 -3.441 -7.164 17.628 1.00 34.35 H new ATOM 0 HB2 ARG A 502 -2.585 -6.208 19.769 1.00 14.44 H new ATOM 0 HB3 ARG A 502 -4.334 -6.270 19.687 1.00 14.44 H new ATOM 0 HG2 ARG A 502 -4.462 -8.091 21.211 1.00 40.13 H new ATOM 0 HG3 ARG A 502 -2.764 -8.485 21.024 1.00 40.13 H new ATOM 0 HD2 ARG A 502 -3.534 -5.763 22.076 1.00 63.40 H new ATOM 0 HD3 ARG A 502 -3.619 -7.147 23.148 1.00 63.40 H new ATOM 0 HE ARG A 502 -1.071 -7.084 21.780 1.00 45.22 H new ATOM 0 HH11 ARG A 502 -2.939 -5.577 24.368 1.00 4.11 H new ATOM 0 HH12 ARG A 502 -1.505 -5.101 25.284 1.00 4.11 H new ATOM 0 HH21 ARG A 502 0.767 -6.469 22.961 1.00 21.22 H new ATOM 0 HH22 ARG A 502 0.585 -5.604 24.490 1.00 21.22 H new ATOM 356 N HIS A 503 -2.023 -9.813 18.508 1.00 61.22 N ATOM 357 CA HIS A 503 -0.798 -10.604 18.478 1.00 21.45 C ATOM 358 C HIS A 503 -0.308 -10.794 17.046 1.00 4.12 C ATOM 359 O HIS A 503 0.821 -10.431 16.713 1.00 1.04 O ATOM 360 CB HIS A 503 -1.029 -11.966 19.135 1.00 52.30 C ATOM 361 CG HIS A 503 0.191 -12.526 19.799 1.00 50.32 C ATOM 362 ND1 HIS A 503 1.470 -12.307 19.331 1.00 75.31 N ATOM 363 CD2 HIS A 503 0.323 -13.298 20.903 1.00 73.14 C ATOM 364 CE1 HIS A 503 2.335 -12.923 20.117 1.00 52.40 C ATOM 365 NE2 HIS A 503 1.664 -13.531 21.079 1.00 45.02 N ATOM 0 H HIS A 503 -2.880 -10.364 18.545 1.00 61.22 H new ATOM 0 HA HIS A 503 -0.033 -10.064 19.036 1.00 21.45 H new ATOM 0 HB2 HIS A 503 -1.825 -11.873 19.874 1.00 52.30 H new ATOM 0 HB3 HIS A 503 -1.377 -12.670 18.379 1.00 52.30 H new ATOM 0 HD2 HIS A 503 -0.478 -13.663 21.529 1.00 73.14 H new ATOM 0 HE1 HIS A 503 3.408 -12.929 19.994 1.00 52.40 H new ATOM 0 HE2 HIS A 503 2.076 -14.084 21.831 1.00 45.02 H new ATOM 373 N ILE A 504 -1.162 -11.365 16.204 1.00 13.40 N ATOM 374 CA ILE A 504 -0.816 -11.602 14.808 1.00 4.52 C ATOM 375 C ILE A 504 -0.734 -10.291 14.032 1.00 22.51 C ATOM 376 O ILE A 504 -0.034 -10.197 13.023 1.00 33.54 O ATOM 377 CB ILE A 504 -1.838 -12.528 14.124 1.00 41.24 C ATOM 378 CG1 ILE A 504 -3.109 -11.751 13.773 1.00 5.43 C ATOM 379 CG2 ILE A 504 -2.165 -13.711 15.022 1.00 71.30 C ATOM 380 CD1 ILE A 504 -3.938 -11.372 14.981 1.00 65.23 C ATOM 0 H ILE A 504 -2.099 -11.672 16.464 1.00 13.40 H new ATOM 0 HA ILE A 504 0.160 -12.086 14.803 1.00 4.52 H new ATOM 0 HB ILE A 504 -1.401 -12.908 13.201 1.00 41.24 H new ATOM 0 HG12 ILE A 504 -2.834 -10.845 13.232 1.00 5.43 H new ATOM 0 HG13 ILE A 504 -3.718 -12.352 13.098 1.00 5.43 H new ATOM 0 HG21 ILE A 504 -2.889 -14.356 14.524 1.00 71.30 H new ATOM 0 HG22 ILE A 504 -1.255 -14.276 15.226 1.00 71.30 H new ATOM 0 HG23 ILE A 504 -2.586 -13.350 15.961 1.00 71.30 H new ATOM 0 HD11 ILE A 504 -4.823 -10.824 14.658 1.00 65.23 H new ATOM 0 HD12 ILE A 504 -4.243 -12.275 15.510 1.00 65.23 H new ATOM 0 HD13 ILE A 504 -3.345 -10.744 15.646 1.00 65.23 H new ATOM 392 N VAL A 505 -1.453 -9.281 14.510 1.00 4.34 N ATOM 393 CA VAL A 505 -1.459 -7.974 13.864 1.00 74.05 C ATOM 394 C VAL A 505 -0.217 -7.172 14.232 1.00 2.45 C ATOM 395 O VAL A 505 0.552 -6.764 13.363 1.00 4.12 O ATOM 396 CB VAL A 505 -2.712 -7.165 14.247 1.00 14.50 C ATOM 397 CG1 VAL A 505 -2.589 -5.728 13.763 1.00 3.34 C ATOM 398 CG2 VAL A 505 -3.963 -7.820 13.682 1.00 74.11 C ATOM 0 H VAL A 505 -2.039 -9.343 15.343 1.00 4.34 H new ATOM 0 HA VAL A 505 -1.465 -8.153 12.789 1.00 74.05 H new ATOM 0 HB VAL A 505 -2.795 -7.152 15.334 1.00 14.50 H new ATOM 0 HG11 VAL A 505 -3.484 -5.172 14.043 1.00 3.34 H new ATOM 0 HG12 VAL A 505 -1.715 -5.264 14.220 1.00 3.34 H new ATOM 0 HG13 VAL A 505 -2.480 -5.717 12.679 1.00 3.34 H new ATOM 0 HG21 VAL A 505 -4.839 -7.235 13.963 1.00 74.11 H new ATOM 0 HG22 VAL A 505 -3.890 -7.866 12.595 1.00 74.11 H new ATOM 0 HG23 VAL A 505 -4.058 -8.829 14.082 1.00 74.11 H new ATOM 408 N GLY A 506 -0.026 -6.949 15.529 1.00 12.44 N ATOM 409 CA GLY A 506 1.125 -6.196 15.991 1.00 3.13 C ATOM 410 C GLY A 506 2.438 -6.836 15.584 1.00 33.15 C ATOM 411 O GLY A 506 3.475 -6.174 15.551 1.00 33.44 O ATOM 0 H GLY A 506 -0.648 -7.277 16.268 1.00 12.44 H new ATOM 0 HA2 GLY A 506 1.078 -5.184 15.590 1.00 3.13 H new ATOM 0 HA3 GLY A 506 1.087 -6.110 17.077 1.00 3.13 H new ATOM 415 N ALA A 507 2.393 -8.128 15.275 1.00 4.15 N ATOM 416 CA ALA A 507 3.588 -8.857 14.869 1.00 71.43 C ATOM 417 C ALA A 507 3.987 -8.504 13.440 1.00 4.32 C ATOM 418 O ALA A 507 5.086 -8.002 13.199 1.00 13.53 O ATOM 419 CB ALA A 507 3.361 -10.356 15.000 1.00 61.34 C ATOM 0 H ALA A 507 1.543 -8.691 15.298 1.00 4.15 H new ATOM 0 HA ALA A 507 4.404 -8.565 15.529 1.00 71.43 H new ATOM 0 HB1 ALA A 507 4.261 -10.888 14.694 1.00 61.34 H new ATOM 0 HB2 ALA A 507 3.130 -10.600 16.037 1.00 61.34 H new ATOM 0 HB3 ALA A 507 2.528 -10.655 14.363 1.00 61.34 H new ATOM 425 N ILE A 508 3.090 -8.769 12.497 1.00 61.21 N ATOM 426 CA ILE A 508 3.350 -8.478 11.093 1.00 70.25 C ATOM 427 C ILE A 508 3.392 -6.975 10.841 1.00 14.33 C ATOM 428 O ILE A 508 4.107 -6.502 9.958 1.00 34.31 O ATOM 429 CB ILE A 508 2.283 -9.110 10.180 1.00 72.43 C ATOM 430 CG1 ILE A 508 0.906 -8.515 10.480 1.00 33.12 C ATOM 431 CG2 ILE A 508 2.263 -10.621 10.356 1.00 34.43 C ATOM 432 CD1 ILE A 508 0.561 -7.322 9.616 1.00 63.41 C ATOM 0 H ILE A 508 2.177 -9.185 12.680 1.00 61.21 H new ATOM 0 HA ILE A 508 4.322 -8.911 10.856 1.00 70.25 H new ATOM 0 HB ILE A 508 2.536 -8.888 9.143 1.00 72.43 H new ATOM 0 HG12 ILE A 508 0.148 -9.286 10.340 1.00 33.12 H new ATOM 0 HG13 ILE A 508 0.868 -8.217 11.528 1.00 33.12 H new ATOM 0 HG21 ILE A 508 1.504 -11.053 9.704 1.00 34.43 H new ATOM 0 HG22 ILE A 508 3.239 -11.030 10.097 1.00 34.43 H new ATOM 0 HG23 ILE A 508 2.031 -10.863 11.393 1.00 34.43 H new ATOM 0 HD11 ILE A 508 -0.429 -6.953 9.884 1.00 63.41 H new ATOM 0 HD12 ILE A 508 1.297 -6.534 9.773 1.00 63.41 H new ATOM 0 HD13 ILE A 508 0.566 -7.619 8.567 1.00 63.41 H new ATOM 444 N ALA A 509 2.621 -6.228 11.625 1.00 4.35 N ATOM 445 CA ALA A 509 2.573 -4.777 11.491 1.00 60.11 C ATOM 446 C ALA A 509 3.877 -4.139 11.956 1.00 4.13 C ATOM 447 O ALA A 509 4.231 -3.042 11.526 1.00 71.15 O ATOM 448 CB ALA A 509 1.398 -4.213 12.276 1.00 72.25 C ATOM 0 H ALA A 509 2.021 -6.604 12.359 1.00 4.35 H new ATOM 0 HA ALA A 509 2.439 -4.539 10.436 1.00 60.11 H new ATOM 0 HB1 ALA A 509 1.374 -3.129 12.167 1.00 72.25 H new ATOM 0 HB2 ALA A 509 0.469 -4.636 11.895 1.00 72.25 H new ATOM 0 HB3 ALA A 509 1.508 -4.469 13.330 1.00 72.25 H new ATOM 454 N ASN A 510 4.588 -4.833 12.839 1.00 4.22 N ATOM 455 CA ASN A 510 5.854 -4.332 13.364 1.00 34.42 C ATOM 456 C ASN A 510 7.031 -4.899 12.577 1.00 24.11 C ATOM 457 O ASN A 510 8.100 -4.292 12.519 1.00 63.44 O ATOM 458 CB ASN A 510 5.994 -4.693 14.844 1.00 20.53 C ATOM 459 CG ASN A 510 7.255 -4.120 15.462 1.00 32.32 C ATOM 460 OD1 ASN A 510 8.305 -4.763 15.467 1.00 52.14 O ATOM 461 ND2 ASN A 510 7.156 -2.905 15.988 1.00 11.03 N ATOM 0 H ASN A 510 4.310 -5.743 13.206 1.00 4.22 H new ATOM 0 HA ASN A 510 5.859 -3.247 13.259 1.00 34.42 H new ATOM 0 HB2 ASN A 510 5.125 -4.324 15.389 1.00 20.53 H new ATOM 0 HB3 ASN A 510 6.000 -5.778 14.952 1.00 20.53 H new ATOM 0 HD21 ASN A 510 7.971 -2.468 16.419 1.00 11.03 H new ATOM 0 HD22 ASN A 510 6.265 -2.409 15.961 1.00 11.03 H new ATOM 468 N GLU A 511 6.826 -6.066 11.973 1.00 2.52 N ATOM 469 CA GLU A 511 7.871 -6.714 11.190 1.00 45.42 C ATOM 470 C GLU A 511 8.206 -5.895 9.946 1.00 4.25 C ATOM 471 O GLU A 511 9.370 -5.768 9.568 1.00 1.34 O ATOM 472 CB GLU A 511 7.435 -8.123 10.784 1.00 45.14 C ATOM 473 CG GLU A 511 7.699 -9.173 11.850 1.00 44.22 C ATOM 474 CD GLU A 511 9.174 -9.317 12.174 1.00 74.41 C ATOM 475 OE1 GLU A 511 10.000 -9.196 11.246 1.00 4.11 O ATOM 476 OE2 GLU A 511 9.500 -9.552 13.356 1.00 2.14 O ATOM 0 H GLU A 511 5.946 -6.581 12.011 1.00 2.52 H new ATOM 0 HA GLU A 511 8.765 -6.782 11.810 1.00 45.42 H new ATOM 0 HB2 GLU A 511 6.370 -8.112 10.553 1.00 45.14 H new ATOM 0 HB3 GLU A 511 7.957 -8.406 9.870 1.00 45.14 H new ATOM 0 HG2 GLU A 511 7.156 -8.909 12.757 1.00 44.22 H new ATOM 0 HG3 GLU A 511 7.309 -10.134 11.513 1.00 44.22 H new ATOM 483 N GLY A 512 7.176 -5.341 9.314 1.00 31.21 N ATOM 484 CA GLY A 512 7.381 -4.542 8.120 1.00 74.40 C ATOM 485 C GLY A 512 6.743 -3.171 8.223 1.00 31.14 C ATOM 486 O GLY A 512 6.726 -2.566 9.296 1.00 75.43 O ATOM 0 H GLY A 512 6.203 -5.431 9.607 1.00 31.21 H new ATOM 0 HA2 GLY A 512 8.450 -4.429 7.941 1.00 74.40 H new ATOM 0 HA3 GLY A 512 6.968 -5.068 7.259 1.00 74.40 H new ATOM 490 N ASP A 513 6.219 -2.678 7.106 1.00 20.45 N ATOM 491 CA ASP A 513 5.578 -1.369 7.076 1.00 73.15 C ATOM 492 C ASP A 513 4.078 -1.492 7.327 1.00 22.43 C ATOM 493 O ASP A 513 3.399 -0.499 7.588 1.00 41.20 O ATOM 494 CB ASP A 513 5.827 -0.687 5.729 1.00 20.14 C ATOM 495 CG ASP A 513 5.777 0.825 5.828 1.00 30.13 C ATOM 496 OD1 ASP A 513 5.039 1.448 5.036 1.00 35.54 O ATOM 497 OD2 ASP A 513 6.475 1.386 6.698 1.00 25.42 O ATOM 0 H ASP A 513 6.226 -3.165 6.210 1.00 20.45 H new ATOM 0 HA ASP A 513 6.012 -0.761 7.869 1.00 73.15 H new ATOM 0 HB2 ASP A 513 6.801 -0.991 5.346 1.00 20.14 H new ATOM 0 HB3 ASP A 513 5.081 -1.026 5.010 1.00 20.14 H new ATOM 502 N ILE A 514 3.569 -2.717 7.246 1.00 14.24 N ATOM 503 CA ILE A 514 2.150 -2.969 7.466 1.00 72.25 C ATOM 504 C ILE A 514 1.678 -2.352 8.778 1.00 71.23 C ATOM 505 O ILE A 514 2.406 -2.347 9.770 1.00 1.42 O ATOM 506 CB ILE A 514 1.842 -4.478 7.481 1.00 63.31 C ATOM 507 CG1 ILE A 514 2.256 -5.119 6.154 1.00 0.24 C ATOM 508 CG2 ILE A 514 0.364 -4.715 7.751 1.00 10.23 C ATOM 509 CD1 ILE A 514 2.557 -6.597 6.265 1.00 32.11 C ATOM 0 H ILE A 514 4.117 -3.549 7.030 1.00 14.24 H new ATOM 0 HA ILE A 514 1.615 -2.505 6.637 1.00 72.25 H new ATOM 0 HB ILE A 514 2.417 -4.942 8.282 1.00 63.31 H new ATOM 0 HG12 ILE A 514 1.459 -4.973 5.425 1.00 0.24 H new ATOM 0 HG13 ILE A 514 3.137 -4.605 5.771 1.00 0.24 H new ATOM 0 HG21 ILE A 514 0.163 -5.786 7.758 1.00 10.23 H new ATOM 0 HG22 ILE A 514 0.098 -4.289 8.718 1.00 10.23 H new ATOM 0 HG23 ILE A 514 -0.229 -4.240 6.970 1.00 10.23 H new ATOM 0 HD11 ILE A 514 2.843 -6.984 5.287 1.00 32.11 H new ATOM 0 HD12 ILE A 514 3.374 -6.750 6.970 1.00 32.11 H new ATOM 0 HD13 ILE A 514 1.670 -7.123 6.618 1.00 32.11 H new ATOM 521 N SER A 515 0.454 -1.835 8.775 1.00 14.25 N ATOM 522 CA SER A 515 -0.116 -1.213 9.965 1.00 22.24 C ATOM 523 C SER A 515 -1.332 -1.992 10.456 1.00 74.31 C ATOM 524 O SER A 515 -1.874 -2.835 9.740 1.00 3.12 O ATOM 525 CB SER A 515 -0.508 0.236 9.671 1.00 35.13 C ATOM 526 OG SER A 515 -0.433 1.032 10.841 1.00 10.11 O ATOM 0 H SER A 515 -0.162 -1.834 7.962 1.00 14.25 H new ATOM 0 HA SER A 515 0.641 -1.225 10.749 1.00 22.24 H new ATOM 0 HB2 SER A 515 0.151 0.646 8.906 1.00 35.13 H new ATOM 0 HB3 SER A 515 -1.521 0.268 9.270 1.00 35.13 H new ATOM 0 HG SER A 515 -0.687 1.954 10.626 1.00 10.11 H new ATOM 532 N SER A 516 -1.757 -1.704 11.682 1.00 1.10 N ATOM 533 CA SER A 516 -2.907 -2.379 12.271 1.00 31.33 C ATOM 534 C SER A 516 -4.182 -2.057 11.497 1.00 64.20 C ATOM 535 O SER A 516 -5.137 -2.834 11.502 1.00 10.32 O ATOM 536 CB SER A 516 -3.070 -1.970 13.737 1.00 61.25 C ATOM 537 OG SER A 516 -4.316 -2.405 14.252 1.00 73.01 O ATOM 0 H SER A 516 -1.322 -1.007 12.287 1.00 1.10 H new ATOM 0 HA SER A 516 -2.732 -3.454 12.218 1.00 31.33 H new ATOM 0 HB2 SER A 516 -2.260 -2.396 14.329 1.00 61.25 H new ATOM 0 HB3 SER A 516 -2.994 -0.886 13.826 1.00 61.25 H new ATOM 0 HG SER A 516 -4.395 -2.133 15.190 1.00 73.01 H new ATOM 543 N ARG A 517 -4.188 -0.907 10.832 1.00 3.52 N ATOM 544 CA ARG A 517 -5.344 -0.480 10.054 1.00 53.02 C ATOM 545 C ARG A 517 -5.213 -0.920 8.599 1.00 62.23 C ATOM 546 O ARG A 517 -6.208 -1.215 7.936 1.00 21.14 O ATOM 547 CB ARG A 517 -5.502 1.040 10.126 1.00 43.03 C ATOM 548 CG ARG A 517 -4.366 1.802 9.462 1.00 31.03 C ATOM 549 CD ARG A 517 -4.618 3.302 9.477 1.00 71.50 C ATOM 550 NE ARG A 517 -5.470 3.724 8.369 1.00 51.23 N ATOM 551 CZ ARG A 517 -6.151 4.865 8.358 1.00 5.05 C ATOM 552 NH1 ARG A 517 -6.079 5.693 9.392 1.00 64.14 N ATOM 553 NH2 ARG A 517 -6.905 5.180 7.313 1.00 64.10 N ATOM 0 H ARG A 517 -3.405 -0.254 10.816 1.00 3.52 H new ATOM 0 HA ARG A 517 -6.230 -0.951 10.480 1.00 53.02 H new ATOM 0 HB2 ARG A 517 -6.443 1.322 9.653 1.00 43.03 H new ATOM 0 HB3 ARG A 517 -5.568 1.341 11.172 1.00 43.03 H new ATOM 0 HG2 ARG A 517 -3.430 1.584 9.977 1.00 31.03 H new ATOM 0 HG3 ARG A 517 -4.251 1.462 8.433 1.00 31.03 H new ATOM 0 HD2 ARG A 517 -5.086 3.582 10.421 1.00 71.50 H new ATOM 0 HD3 ARG A 517 -3.666 3.830 9.424 1.00 71.50 H new ATOM 0 HE ARG A 517 -5.547 3.109 7.559 1.00 51.23 H new ATOM 0 HH11 ARG A 517 -5.500 5.454 10.197 1.00 64.14 H new ATOM 0 HH12 ARG A 517 -6.602 6.568 9.382 1.00 64.14 H new ATOM 0 HH21 ARG A 517 -6.963 4.546 6.516 1.00 64.10 H new ATOM 0 HH22 ARG A 517 -7.427 6.056 7.306 1.00 64.10 H new ATOM 567 N TYR A 518 -3.979 -0.962 8.108 1.00 51.40 N ATOM 568 CA TYR A 518 -3.717 -1.363 6.731 1.00 55.32 C ATOM 569 C TYR A 518 -4.194 -2.790 6.479 1.00 25.24 C ATOM 570 O TYR A 518 -4.761 -3.091 5.429 1.00 64.15 O ATOM 571 CB TYR A 518 -2.224 -1.249 6.419 1.00 13.13 C ATOM 572 CG TYR A 518 -1.929 -0.522 5.127 1.00 71.24 C ATOM 573 CD1 TYR A 518 -2.465 -0.960 3.922 1.00 34.31 C ATOM 574 CD2 TYR A 518 -1.114 0.603 5.110 1.00 15.31 C ATOM 575 CE1 TYR A 518 -2.198 -0.300 2.739 1.00 44.12 C ATOM 576 CE2 TYR A 518 -0.842 1.271 3.932 1.00 75.04 C ATOM 577 CZ TYR A 518 -1.386 0.815 2.749 1.00 41.24 C ATOM 578 OH TYR A 518 -1.118 1.477 1.572 1.00 21.21 O ATOM 0 H TYR A 518 -3.144 -0.723 8.644 1.00 51.40 H new ATOM 0 HA TYR A 518 -4.270 -0.693 6.073 1.00 55.32 H new ATOM 0 HB2 TYR A 518 -1.729 -0.730 7.239 1.00 13.13 H new ATOM 0 HB3 TYR A 518 -1.794 -2.250 6.369 1.00 13.13 H new ATOM 0 HD1 TYR A 518 -3.102 -1.832 3.911 1.00 34.31 H new ATOM 0 HD2 TYR A 518 -0.686 0.962 6.034 1.00 15.31 H new ATOM 0 HE1 TYR A 518 -2.622 -0.655 1.811 1.00 44.12 H new ATOM 0 HE2 TYR A 518 -0.207 2.145 3.937 1.00 75.04 H new ATOM 0 HH TYR A 518 -0.532 2.241 1.753 1.00 21.21 H new ATOM 588 N ILE A 519 -3.959 -3.665 7.452 1.00 51.13 N ATOM 589 CA ILE A 519 -4.365 -5.060 7.338 1.00 61.24 C ATOM 590 C ILE A 519 -5.840 -5.175 6.970 1.00 74.20 C ATOM 591 O ILE A 519 -6.666 -4.379 7.415 1.00 43.33 O ATOM 592 CB ILE A 519 -4.113 -5.829 8.648 1.00 4.11 C ATOM 593 CG1 ILE A 519 -2.628 -5.780 9.016 1.00 51.02 C ATOM 594 CG2 ILE A 519 -4.584 -7.269 8.516 1.00 31.35 C ATOM 595 CD1 ILE A 519 -2.378 -5.616 10.499 1.00 50.44 C ATOM 0 H ILE A 519 -3.490 -3.432 8.327 1.00 51.13 H new ATOM 0 HA ILE A 519 -3.760 -5.501 6.546 1.00 61.24 H new ATOM 0 HB ILE A 519 -4.682 -5.353 9.447 1.00 4.11 H new ATOM 0 HG12 ILE A 519 -2.147 -6.696 8.674 1.00 51.02 H new ATOM 0 HG13 ILE A 519 -2.157 -4.954 8.483 1.00 51.02 H new ATOM 0 HG21 ILE A 519 -4.399 -7.799 9.450 1.00 31.35 H new ATOM 0 HG22 ILE A 519 -5.651 -7.284 8.295 1.00 31.35 H new ATOM 0 HG23 ILE A 519 -4.040 -7.757 7.708 1.00 31.35 H new ATOM 0 HD11 ILE A 519 -1.305 -5.589 10.686 1.00 50.44 H new ATOM 0 HD12 ILE A 519 -2.830 -4.686 10.843 1.00 50.44 H new ATOM 0 HD13 ILE A 519 -2.819 -6.455 11.037 1.00 50.44 H new ATOM 607 N GLY A 520 -6.166 -6.175 6.155 1.00 3.44 N ATOM 608 CA GLY A 520 -7.542 -6.377 5.743 1.00 72.22 C ATOM 609 C GLY A 520 -8.412 -6.908 6.865 1.00 24.51 C ATOM 610 O GLY A 520 -8.538 -6.277 7.913 1.00 23.13 O ATOM 0 H GLY A 520 -5.501 -6.848 5.773 1.00 3.44 H new ATOM 0 HA2 GLY A 520 -7.953 -5.433 5.385 1.00 72.22 H new ATOM 0 HA3 GLY A 520 -7.569 -7.075 4.906 1.00 72.22 H new ATOM 614 N ASN A 521 -9.014 -8.072 6.644 1.00 33.35 N ATOM 615 CA ASN A 521 -9.879 -8.687 7.645 1.00 23.23 C ATOM 616 C ASN A 521 -9.096 -9.671 8.510 1.00 2.51 C ATOM 617 O ASN A 521 -8.463 -10.595 7.999 1.00 51.13 O ATOM 618 CB ASN A 521 -11.048 -9.405 6.968 1.00 63.21 C ATOM 619 CG ASN A 521 -12.187 -8.463 6.630 1.00 71.20 C ATOM 620 OD1 ASN A 521 -13.118 -8.290 7.417 1.00 72.14 O ATOM 621 ND2 ASN A 521 -12.118 -7.849 5.455 1.00 71.24 N ATOM 0 H ASN A 521 -8.919 -8.608 5.782 1.00 33.35 H new ATOM 0 HA ASN A 521 -10.269 -7.897 8.286 1.00 23.23 H new ATOM 0 HB2 ASN A 521 -10.696 -9.887 6.056 1.00 63.21 H new ATOM 0 HB3 ASN A 521 -11.415 -10.194 7.624 1.00 63.21 H new ATOM 0 HD21 ASN A 521 -12.856 -7.203 5.173 1.00 71.24 H new ATOM 0 HD22 ASN A 521 -11.327 -8.023 4.834 1.00 71.24 H new ATOM 628 N ILE A 522 -9.144 -9.465 9.822 1.00 41.42 N ATOM 629 CA ILE A 522 -8.441 -10.334 10.757 1.00 2.33 C ATOM 630 C ILE A 522 -9.416 -11.022 11.707 1.00 65.45 C ATOM 631 O ILE A 522 -10.222 -10.369 12.368 1.00 54.31 O ATOM 632 CB ILE A 522 -7.404 -9.550 11.584 1.00 53.23 C ATOM 633 CG1 ILE A 522 -6.544 -8.677 10.668 1.00 51.24 C ATOM 634 CG2 ILE A 522 -6.533 -10.506 12.385 1.00 41.24 C ATOM 635 CD1 ILE A 522 -6.793 -7.194 10.837 1.00 31.53 C ATOM 0 H ILE A 522 -9.662 -8.704 10.261 1.00 41.42 H new ATOM 0 HA ILE A 522 -7.925 -11.087 10.161 1.00 2.33 H new ATOM 0 HB ILE A 522 -7.933 -8.901 12.282 1.00 53.23 H new ATOM 0 HG12 ILE A 522 -5.492 -8.885 10.864 1.00 51.24 H new ATOM 0 HG13 ILE A 522 -6.736 -8.953 9.631 1.00 51.24 H new ATOM 0 HG21 ILE A 522 -5.805 -9.937 12.964 1.00 41.24 H new ATOM 0 HG22 ILE A 522 -7.159 -11.089 13.061 1.00 41.24 H new ATOM 0 HG23 ILE A 522 -6.010 -11.178 11.705 1.00 41.24 H new ATOM 0 HD11 ILE A 522 -6.149 -6.637 10.156 1.00 31.53 H new ATOM 0 HD12 ILE A 522 -7.836 -6.972 10.612 1.00 31.53 H new ATOM 0 HD13 ILE A 522 -6.573 -6.903 11.864 1.00 31.53 H new ATOM 647 N LYS A 523 -9.334 -12.347 11.770 1.00 33.13 N ATOM 648 CA LYS A 523 -10.206 -13.127 12.641 1.00 54.51 C ATOM 649 C LYS A 523 -9.412 -13.767 13.775 1.00 41.23 C ATOM 650 O LYS A 523 -8.211 -14.007 13.646 1.00 4.03 O ATOM 651 CB LYS A 523 -10.929 -14.209 11.836 1.00 15.21 C ATOM 652 CG LYS A 523 -12.172 -14.750 12.523 1.00 44.32 C ATOM 653 CD LYS A 523 -12.744 -15.945 11.780 1.00 64.41 C ATOM 654 CE LYS A 523 -14.264 -15.951 11.819 1.00 51.31 C ATOM 655 NZ LYS A 523 -14.841 -14.778 11.106 1.00 52.24 N ATOM 0 H LYS A 523 -8.673 -12.903 11.228 1.00 33.13 H new ATOM 0 HA LYS A 523 -10.943 -12.451 13.074 1.00 54.51 H new ATOM 0 HB2 LYS A 523 -11.209 -13.801 10.865 1.00 15.21 H new ATOM 0 HB3 LYS A 523 -10.240 -15.033 11.649 1.00 15.21 H new ATOM 0 HG2 LYS A 523 -11.927 -15.039 13.545 1.00 44.32 H new ATOM 0 HG3 LYS A 523 -12.925 -13.965 12.585 1.00 44.32 H new ATOM 0 HD2 LYS A 523 -12.406 -15.926 10.744 1.00 64.41 H new ATOM 0 HD3 LYS A 523 -12.364 -16.866 12.223 1.00 64.41 H new ATOM 0 HE2 LYS A 523 -14.635 -16.870 11.366 1.00 51.31 H new ATOM 0 HE3 LYS A 523 -14.601 -15.948 12.856 1.00 51.31 H new ATOM 0 HZ1 LYS A 523 -15.782 -15.024 10.739 1.00 52.24 H new ATOM 0 HZ2 LYS A 523 -14.925 -13.978 11.765 1.00 52.24 H new ATOM 0 HZ3 LYS A 523 -14.220 -14.512 10.316 1.00 52.24 H new ATOM 669 N LEU A 524 -10.090 -14.042 14.884 1.00 64.34 N ATOM 670 CA LEU A 524 -9.447 -14.657 16.040 1.00 10.22 C ATOM 671 C LEU A 524 -10.386 -15.646 16.723 1.00 12.45 C ATOM 672 O LEU A 524 -11.170 -15.272 17.596 1.00 13.30 O ATOM 673 CB LEU A 524 -9.008 -13.582 17.036 1.00 51.53 C ATOM 674 CG LEU A 524 -8.021 -14.028 18.115 1.00 60.45 C ATOM 675 CD1 LEU A 524 -8.718 -14.899 19.148 1.00 12.25 C ATOM 676 CD2 LEU A 524 -6.850 -14.773 17.490 1.00 2.03 C ATOM 0 H LEU A 524 -11.084 -13.849 15.007 1.00 64.34 H new ATOM 0 HA LEU A 524 -8.569 -15.200 15.690 1.00 10.22 H new ATOM 0 HB2 LEU A 524 -8.558 -12.760 16.478 1.00 51.53 H new ATOM 0 HB3 LEU A 524 -9.897 -13.185 17.527 1.00 51.53 H new ATOM 0 HG LEU A 524 -7.636 -13.141 18.618 1.00 60.45 H new ATOM 0 HD11 LEU A 524 -8.000 -15.207 19.908 1.00 12.25 H new ATOM 0 HD12 LEU A 524 -9.523 -14.333 19.617 1.00 12.25 H new ATOM 0 HD13 LEU A 524 -9.131 -15.782 18.660 1.00 12.25 H new ATOM 0 HD21 LEU A 524 -6.157 -15.083 18.272 1.00 2.03 H new ATOM 0 HD22 LEU A 524 -7.218 -15.652 16.962 1.00 2.03 H new ATOM 0 HD23 LEU A 524 -6.335 -14.117 16.788 1.00 2.03 H new ATOM 688 N PHE A 525 -10.300 -16.910 16.322 1.00 1.44 N ATOM 689 CA PHE A 525 -11.141 -17.953 16.897 1.00 72.12 C ATOM 690 C PHE A 525 -10.449 -18.618 18.083 1.00 11.11 C ATOM 691 O PHE A 525 -9.435 -18.128 18.578 1.00 44.20 O ATOM 692 CB PHE A 525 -11.483 -19.003 15.837 1.00 10.25 C ATOM 693 CG PHE A 525 -12.958 -19.151 15.595 1.00 62.24 C ATOM 694 CD1 PHE A 525 -13.844 -19.229 16.657 1.00 1.21 C ATOM 695 CD2 PHE A 525 -13.458 -19.213 14.304 1.00 12.41 C ATOM 696 CE1 PHE A 525 -15.201 -19.366 16.436 1.00 32.13 C ATOM 697 CE2 PHE A 525 -14.815 -19.349 14.077 1.00 22.51 C ATOM 698 CZ PHE A 525 -15.687 -19.425 15.145 1.00 74.32 C ATOM 0 H PHE A 525 -9.656 -17.237 15.601 1.00 1.44 H new ATOM 0 HA PHE A 525 -12.062 -17.489 17.250 1.00 72.12 H new ATOM 0 HB2 PHE A 525 -10.994 -18.735 14.900 1.00 10.25 H new ATOM 0 HB3 PHE A 525 -11.075 -19.966 16.145 1.00 10.25 H new ATOM 0 HD1 PHE A 525 -13.470 -19.182 17.669 1.00 1.21 H new ATOM 0 HD2 PHE A 525 -12.780 -19.154 13.466 1.00 12.41 H new ATOM 0 HE1 PHE A 525 -15.881 -19.427 17.273 1.00 32.13 H new ATOM 0 HE2 PHE A 525 -15.192 -19.396 13.066 1.00 22.51 H new ATOM 0 HZ PHE A 525 -16.748 -19.530 14.971 1.00 74.32 H new ATOM 708 N ALA A 526 -11.006 -19.737 18.534 1.00 13.03 N ATOM 709 CA ALA A 526 -10.443 -20.470 19.661 1.00 30.41 C ATOM 710 C ALA A 526 -9.077 -21.051 19.310 1.00 35.44 C ATOM 711 O ALA A 526 -8.134 -20.961 20.096 1.00 63.25 O ATOM 712 CB ALA A 526 -11.392 -21.576 20.099 1.00 54.31 C ATOM 0 H ALA A 526 -11.847 -20.156 18.136 1.00 13.03 H new ATOM 0 HA ALA A 526 -10.311 -19.772 20.487 1.00 30.41 H new ATOM 0 HB1 ALA A 526 -10.958 -22.115 20.941 1.00 54.31 H new ATOM 0 HB2 ALA A 526 -12.345 -21.140 20.399 1.00 54.31 H new ATOM 0 HB3 ALA A 526 -11.553 -22.266 19.271 1.00 54.31 H new ATOM 718 N SER A 527 -8.980 -21.648 18.127 1.00 63.32 N ATOM 719 CA SER A 527 -7.730 -22.248 17.674 1.00 31.42 C ATOM 720 C SER A 527 -7.466 -21.913 16.210 1.00 64.15 C ATOM 721 O SER A 527 -6.885 -22.711 15.473 1.00 4.10 O ATOM 722 CB SER A 527 -7.771 -23.766 17.862 1.00 31.13 C ATOM 723 OG SER A 527 -6.463 -24.305 17.948 1.00 52.12 O ATOM 0 H SER A 527 -9.751 -21.729 17.465 1.00 63.32 H new ATOM 0 HA SER A 527 -6.919 -21.836 18.275 1.00 31.42 H new ATOM 0 HB2 SER A 527 -8.328 -24.009 18.767 1.00 31.13 H new ATOM 0 HB3 SER A 527 -8.303 -24.225 17.028 1.00 31.13 H new ATOM 0 HG SER A 527 -5.953 -24.054 17.150 1.00 52.12 H new ATOM 729 N HIS A 528 -7.897 -20.726 15.793 1.00 25.44 N ATOM 730 CA HIS A 528 -7.706 -20.284 14.417 1.00 54.43 C ATOM 731 C HIS A 528 -7.695 -18.760 14.333 1.00 61.34 C ATOM 732 O HIS A 528 -8.125 -18.074 15.260 1.00 24.51 O ATOM 733 CB HIS A 528 -8.810 -20.847 13.521 1.00 64.25 C ATOM 734 CG HIS A 528 -8.648 -22.305 13.216 1.00 43.42 C ATOM 735 ND1 HIS A 528 -7.715 -22.788 12.322 1.00 11.42 N ATOM 736 CD2 HIS A 528 -9.305 -23.387 13.693 1.00 30.31 C ATOM 737 CE1 HIS A 528 -7.807 -24.104 12.262 1.00 70.03 C ATOM 738 NE2 HIS A 528 -8.764 -24.493 13.085 1.00 71.14 N ATOM 0 H HIS A 528 -8.381 -20.054 16.389 1.00 25.44 H new ATOM 0 HA HIS A 528 -6.742 -20.657 14.072 1.00 54.43 H new ATOM 0 HB2 HIS A 528 -9.774 -20.690 14.004 1.00 64.25 H new ATOM 0 HB3 HIS A 528 -8.828 -20.288 12.585 1.00 64.25 H new ATOM 0 HD1 HIS A 528 -7.057 -22.218 11.791 1.00 11.42 H new ATOM 0 HD2 HIS A 528 -10.106 -23.382 14.417 1.00 30.31 H new ATOM 0 HE1 HIS A 528 -7.202 -24.752 11.645 1.00 70.03 H new ATOM 746 N SER A 529 -7.200 -18.238 13.215 1.00 3.22 N ATOM 747 CA SER A 529 -7.128 -16.796 13.012 1.00 1.41 C ATOM 748 C SER A 529 -6.820 -16.467 11.554 1.00 2.05 C ATOM 749 O SER A 529 -5.910 -17.041 10.954 1.00 33.14 O ATOM 750 CB SER A 529 -6.060 -16.184 13.921 1.00 14.33 C ATOM 751 OG SER A 529 -5.133 -17.165 14.351 1.00 63.12 O ATOM 0 H SER A 529 -6.843 -18.792 12.436 1.00 3.22 H new ATOM 0 HA SER A 529 -8.099 -16.370 13.266 1.00 1.41 H new ATOM 0 HB2 SER A 529 -5.535 -15.392 13.388 1.00 14.33 H new ATOM 0 HB3 SER A 529 -6.535 -15.724 14.787 1.00 14.33 H new ATOM 0 HG SER A 529 -5.467 -17.596 15.165 1.00 63.12 H new ATOM 757 N THR A 530 -7.585 -15.538 10.989 1.00 23.02 N ATOM 758 CA THR A 530 -7.396 -15.133 9.602 1.00 2.42 C ATOM 759 C THR A 530 -6.759 -13.750 9.515 1.00 32.23 C ATOM 760 O THR A 530 -6.712 -13.016 10.502 1.00 5.53 O ATOM 761 CB THR A 530 -8.731 -15.120 8.834 1.00 42.31 C ATOM 762 OG1 THR A 530 -9.514 -13.989 9.232 1.00 35.43 O ATOM 763 CG2 THR A 530 -9.513 -16.400 9.086 1.00 1.24 C ATOM 0 H THR A 530 -8.341 -15.052 11.471 1.00 23.02 H new ATOM 0 HA THR A 530 -6.730 -15.866 9.146 1.00 2.42 H new ATOM 0 HB THR A 530 -8.511 -15.052 7.769 1.00 42.31 H new ATOM 0 HG1 THR A 530 -10.360 -13.987 8.738 1.00 35.43 H new ATOM 0 HG21 THR A 530 -10.452 -16.368 8.533 1.00 1.24 H new ATOM 0 HG22 THR A 530 -8.926 -17.256 8.754 1.00 1.24 H new ATOM 0 HG23 THR A 530 -9.722 -16.495 10.152 1.00 1.24 H new ATOM 771 N ILE A 531 -6.272 -13.402 8.329 1.00 1.12 N ATOM 772 CA ILE A 531 -5.640 -12.106 8.114 1.00 22.22 C ATOM 773 C ILE A 531 -5.301 -11.897 6.642 1.00 31.41 C ATOM 774 O ILE A 531 -4.911 -12.834 5.946 1.00 22.24 O ATOM 775 CB ILE A 531 -4.355 -11.961 8.951 1.00 41.04 C ATOM 776 CG1 ILE A 531 -3.679 -10.620 8.658 1.00 1.24 C ATOM 777 CG2 ILE A 531 -3.404 -13.113 8.664 1.00 25.25 C ATOM 778 CD1 ILE A 531 -2.738 -10.166 9.752 1.00 23.43 C ATOM 0 H ILE A 531 -6.303 -13.999 7.502 1.00 1.12 H new ATOM 0 HA ILE A 531 -6.357 -11.349 8.430 1.00 22.22 H new ATOM 0 HB ILE A 531 -4.621 -11.990 10.008 1.00 41.04 H new ATOM 0 HG12 ILE A 531 -3.125 -10.698 7.723 1.00 1.24 H new ATOM 0 HG13 ILE A 531 -4.446 -9.860 8.511 1.00 1.24 H new ATOM 0 HG21 ILE A 531 -2.501 -12.997 9.263 1.00 25.25 H new ATOM 0 HG22 ILE A 531 -3.888 -14.056 8.917 1.00 25.25 H new ATOM 0 HG23 ILE A 531 -3.141 -13.113 7.606 1.00 25.25 H new ATOM 0 HD11 ILE A 531 -2.295 -9.209 9.477 1.00 23.43 H new ATOM 0 HD12 ILE A 531 -3.291 -10.055 10.685 1.00 23.43 H new ATOM 0 HD13 ILE A 531 -1.949 -10.906 9.884 1.00 23.43 H new ATOM 790 N GLU A 532 -5.452 -10.662 6.175 1.00 1.23 N ATOM 791 CA GLU A 532 -5.161 -10.330 4.785 1.00 24.25 C ATOM 792 C GLU A 532 -4.094 -9.242 4.698 1.00 73.23 C ATOM 793 O GLU A 532 -4.229 -8.175 5.297 1.00 13.42 O ATOM 794 CB GLU A 532 -6.433 -9.872 4.070 1.00 50.50 C ATOM 795 CG GLU A 532 -6.287 -9.793 2.560 1.00 52.54 C ATOM 796 CD GLU A 532 -7.564 -10.161 1.830 1.00 15.21 C ATOM 797 OE1 GLU A 532 -7.692 -11.329 1.409 1.00 33.45 O ATOM 798 OE2 GLU A 532 -8.437 -9.279 1.680 1.00 25.33 O ATOM 0 H GLU A 532 -5.774 -9.875 6.738 1.00 1.23 H new ATOM 0 HA GLU A 532 -4.781 -11.227 4.295 1.00 24.25 H new ATOM 0 HB2 GLU A 532 -7.244 -10.559 4.313 1.00 50.50 H new ATOM 0 HB3 GLU A 532 -6.721 -8.892 4.451 1.00 50.50 H new ATOM 0 HG2 GLU A 532 -5.991 -8.782 2.280 1.00 52.54 H new ATOM 0 HG3 GLU A 532 -5.486 -10.459 2.241 1.00 52.54 H new ATOM 805 N LEU A 533 -3.034 -9.521 3.947 1.00 11.52 N ATOM 806 CA LEU A 533 -1.943 -8.567 3.780 1.00 11.43 C ATOM 807 C LEU A 533 -1.932 -7.993 2.367 1.00 74.41 C ATOM 808 O LEU A 533 -1.918 -8.723 1.375 1.00 42.50 O ATOM 809 CB LEU A 533 -0.602 -9.238 4.081 1.00 61.02 C ATOM 810 CG LEU A 533 0.062 -8.850 5.402 1.00 10.44 C ATOM 811 CD1 LEU A 533 -0.822 -9.237 6.578 1.00 63.22 C ATOM 812 CD2 LEU A 533 1.431 -9.503 5.524 1.00 50.12 C ATOM 0 H LEU A 533 -2.907 -10.399 3.444 1.00 11.52 H new ATOM 0 HA LEU A 533 -2.099 -7.749 4.483 1.00 11.43 H new ATOM 0 HB2 LEU A 533 -0.750 -10.318 4.075 1.00 61.02 H new ATOM 0 HB3 LEU A 533 0.088 -9.006 3.269 1.00 61.02 H new ATOM 0 HG LEU A 533 0.196 -7.768 5.415 1.00 10.44 H new ATOM 0 HD11 LEU A 533 -0.333 -8.953 7.510 1.00 63.22 H new ATOM 0 HD12 LEU A 533 -1.779 -8.721 6.499 1.00 63.22 H new ATOM 0 HD13 LEU A 533 -0.988 -10.314 6.569 1.00 63.22 H new ATOM 0 HD21 LEU A 533 1.888 -9.215 6.471 1.00 50.12 H new ATOM 0 HD22 LEU A 533 1.322 -10.587 5.489 1.00 50.12 H new ATOM 0 HD23 LEU A 533 2.065 -9.175 4.700 1.00 50.12 H new ATOM 824 N PRO A 534 -1.937 -6.656 2.271 1.00 55.55 N ATOM 825 CA PRO A 534 -1.926 -5.955 0.983 1.00 3.51 C ATOM 826 C PRO A 534 -0.593 -6.100 0.256 1.00 11.42 C ATOM 827 O PRO A 534 -0.451 -5.678 -0.892 1.00 30.22 O ATOM 828 CB PRO A 534 -2.166 -4.494 1.372 1.00 12.24 C ATOM 829 CG PRO A 534 -1.676 -4.390 2.775 1.00 32.15 C ATOM 830 CD PRO A 534 -1.955 -5.724 3.411 1.00 24.20 C ATOM 0 HA PRO A 534 -2.671 -6.355 0.295 1.00 3.51 H new ATOM 0 HB2 PRO A 534 -1.626 -3.815 0.713 1.00 12.24 H new ATOM 0 HB3 PRO A 534 -3.222 -4.234 1.301 1.00 12.24 H new ATOM 0 HG2 PRO A 534 -0.611 -4.161 2.800 1.00 32.15 H new ATOM 0 HG3 PRO A 534 -2.187 -3.589 3.309 1.00 32.15 H new ATOM 0 HD2 PRO A 534 -1.199 -5.982 4.153 1.00 24.20 H new ATOM 0 HD3 PRO A 534 -2.918 -5.732 3.922 1.00 24.20 H new ATOM 838 N LYS A 535 0.382 -6.699 0.932 1.00 53.14 N ATOM 839 CA LYS A 535 1.703 -6.902 0.350 1.00 3.21 C ATOM 840 C LYS A 535 1.595 -7.473 -1.060 1.00 44.43 C ATOM 841 O LYS A 535 0.647 -8.189 -1.380 1.00 5.23 O ATOM 842 CB LYS A 535 2.531 -7.841 1.230 1.00 45.02 C ATOM 843 CG LYS A 535 2.722 -7.335 2.649 1.00 2.50 C ATOM 844 CD LYS A 535 3.461 -6.007 2.673 1.00 63.12 C ATOM 845 CE LYS A 535 4.877 -6.148 2.134 1.00 53.50 C ATOM 846 NZ LYS A 535 5.655 -7.175 2.880 1.00 74.33 N ATOM 0 H LYS A 535 0.282 -7.052 1.884 1.00 53.14 H new ATOM 0 HA LYS A 535 2.200 -5.934 0.293 1.00 3.21 H new ATOM 0 HB2 LYS A 535 2.045 -8.816 1.263 1.00 45.02 H new ATOM 0 HB3 LYS A 535 3.509 -7.987 0.771 1.00 45.02 H new ATOM 0 HG2 LYS A 535 1.750 -7.220 3.129 1.00 2.50 H new ATOM 0 HG3 LYS A 535 3.278 -8.073 3.227 1.00 2.50 H new ATOM 0 HD2 LYS A 535 2.915 -5.275 2.078 1.00 63.12 H new ATOM 0 HD3 LYS A 535 3.495 -5.627 3.694 1.00 63.12 H new ATOM 0 HE2 LYS A 535 4.839 -6.417 1.079 1.00 53.50 H new ATOM 0 HE3 LYS A 535 5.388 -5.187 2.199 1.00 53.50 H new ATOM 0 HZ1 LYS A 535 6.668 -7.058 2.677 1.00 74.33 H new ATOM 0 HZ2 LYS A 535 5.491 -7.062 3.901 1.00 74.33 H new ATOM 0 HZ3 LYS A 535 5.350 -8.124 2.584 1.00 74.33 H new ATOM 860 N GLY A 536 2.575 -7.151 -1.901 1.00 35.33 N ATOM 861 CA GLY A 536 2.571 -7.642 -3.266 1.00 53.04 C ATOM 862 C GLY A 536 3.903 -8.241 -3.671 1.00 42.31 C ATOM 863 O GLY A 536 4.439 -7.920 -4.732 1.00 13.24 O ATOM 0 H GLY A 536 3.370 -6.559 -1.660 1.00 35.33 H new ATOM 0 HA2 GLY A 536 1.790 -8.394 -3.376 1.00 53.04 H new ATOM 0 HA3 GLY A 536 2.323 -6.824 -3.942 1.00 53.04 H new ATOM 867 N MET A 537 4.440 -9.112 -2.824 1.00 5.04 N ATOM 868 CA MET A 537 5.719 -9.756 -3.099 1.00 64.31 C ATOM 869 C MET A 537 6.055 -10.782 -2.021 1.00 1.43 C ATOM 870 O MET A 537 6.955 -10.587 -1.204 1.00 3.32 O ATOM 871 CB MET A 537 6.833 -8.711 -3.189 1.00 54.32 C ATOM 872 CG MET A 537 7.983 -9.124 -4.093 1.00 53.12 C ATOM 873 SD MET A 537 9.292 -9.985 -3.202 1.00 2.15 S ATOM 874 CE MET A 537 10.746 -9.215 -3.909 1.00 4.43 C ATOM 0 H MET A 537 4.010 -9.388 -1.941 1.00 5.04 H new ATOM 0 HA MET A 537 5.638 -10.273 -4.055 1.00 64.31 H new ATOM 0 HB2 MET A 537 6.412 -7.774 -3.555 1.00 54.32 H new ATOM 0 HB3 MET A 537 7.220 -8.517 -2.189 1.00 54.32 H new ATOM 0 HG2 MET A 537 7.603 -9.769 -4.886 1.00 53.12 H new ATOM 0 HG3 MET A 537 8.398 -8.238 -4.574 1.00 53.12 H new ATOM 0 HE1 MET A 537 11.641 -9.643 -3.457 1.00 4.43 H new ATOM 0 HE2 MET A 537 10.763 -9.390 -4.985 1.00 4.43 H new ATOM 0 HE3 MET A 537 10.720 -8.143 -3.716 1.00 4.43 H new ATOM 884 N PRO A 538 5.315 -11.900 -2.016 1.00 23.42 N ATOM 885 CA PRO A 538 5.517 -12.978 -1.043 1.00 33.31 C ATOM 886 C PRO A 538 6.825 -13.728 -1.270 1.00 42.54 C ATOM 887 O PRO A 538 7.669 -13.299 -2.057 1.00 14.23 O ATOM 888 CB PRO A 538 4.322 -13.903 -1.286 1.00 34.40 C ATOM 889 CG PRO A 538 3.928 -13.651 -2.701 1.00 5.35 C ATOM 890 CD PRO A 538 4.226 -12.200 -2.960 1.00 14.41 C ATOM 0 HA PRO A 538 5.581 -12.599 -0.023 1.00 33.31 H new ATOM 0 HB2 PRO A 538 4.592 -14.947 -1.130 1.00 34.40 H new ATOM 0 HB3 PRO A 538 3.503 -13.680 -0.602 1.00 34.40 H new ATOM 0 HG2 PRO A 538 4.487 -14.292 -3.382 1.00 5.35 H new ATOM 0 HG3 PRO A 538 2.871 -13.866 -2.856 1.00 5.35 H new ATOM 0 HD2 PRO A 538 4.532 -12.031 -3.993 1.00 14.41 H new ATOM 0 HD3 PRO A 538 3.353 -11.572 -2.779 1.00 14.41 H new ATOM 898 N GLY A 539 6.988 -14.850 -0.577 1.00 35.33 N ATOM 899 CA GLY A 539 8.196 -15.641 -0.718 1.00 20.21 C ATOM 900 C GLY A 539 9.290 -15.205 0.237 1.00 55.42 C ATOM 901 O GLY A 539 10.355 -15.818 0.292 1.00 52.13 O ATOM 0 H GLY A 539 6.304 -15.226 0.080 1.00 35.33 H new ATOM 0 HA2 GLY A 539 7.962 -16.691 -0.542 1.00 20.21 H new ATOM 0 HA3 GLY A 539 8.560 -15.563 -1.742 1.00 20.21 H new ATOM 905 N GLU A 540 9.026 -14.141 0.989 1.00 1.14 N ATOM 906 CA GLU A 540 9.998 -13.622 1.944 1.00 3.03 C ATOM 907 C GLU A 540 9.982 -14.437 3.235 1.00 51.35 C ATOM 908 O GLU A 540 11.014 -14.942 3.676 1.00 71.41 O ATOM 909 CB GLU A 540 9.708 -12.152 2.253 1.00 44.41 C ATOM 910 CG GLU A 540 9.244 -11.356 1.044 1.00 22.15 C ATOM 911 CD GLU A 540 10.238 -11.399 -0.100 1.00 25.44 C ATOM 912 OE1 GLU A 540 11.111 -10.508 -0.160 1.00 41.03 O ATOM 913 OE2 GLU A 540 10.144 -12.324 -0.934 1.00 1.33 O ATOM 0 H GLU A 540 8.148 -13.622 0.955 1.00 1.14 H new ATOM 0 HA GLU A 540 10.988 -13.703 1.495 1.00 3.03 H new ATOM 0 HB2 GLU A 540 8.945 -12.096 3.029 1.00 44.41 H new ATOM 0 HB3 GLU A 540 10.608 -11.690 2.658 1.00 44.41 H new ATOM 0 HG2 GLU A 540 8.286 -11.747 0.702 1.00 22.15 H new ATOM 0 HG3 GLU A 540 9.079 -10.319 1.338 1.00 22.15 H new ATOM 920 N VAL A 541 8.802 -14.559 3.835 1.00 4.13 N ATOM 921 CA VAL A 541 8.650 -15.312 5.074 1.00 20.04 C ATOM 922 C VAL A 541 8.650 -16.813 4.809 1.00 70.23 C ATOM 923 O VAL A 541 9.157 -17.597 5.612 1.00 23.20 O ATOM 924 CB VAL A 541 7.349 -14.931 5.806 1.00 24.33 C ATOM 925 CG1 VAL A 541 7.144 -15.817 7.026 1.00 53.03 C ATOM 926 CG2 VAL A 541 7.371 -13.462 6.202 1.00 63.54 C ATOM 0 H VAL A 541 7.938 -14.146 3.483 1.00 4.13 H new ATOM 0 HA VAL A 541 9.502 -15.058 5.705 1.00 20.04 H new ATOM 0 HB VAL A 541 6.511 -15.088 5.127 1.00 24.33 H new ATOM 0 HG11 VAL A 541 6.220 -15.533 7.531 1.00 53.03 H new ATOM 0 HG12 VAL A 541 7.081 -16.859 6.712 1.00 53.03 H new ATOM 0 HG13 VAL A 541 7.984 -15.694 7.710 1.00 53.03 H new ATOM 0 HG21 VAL A 541 6.444 -13.210 6.718 1.00 63.54 H new ATOM 0 HG22 VAL A 541 8.217 -13.276 6.864 1.00 63.54 H new ATOM 0 HG23 VAL A 541 7.468 -12.846 5.308 1.00 63.54 H new ATOM 936 N LEU A 542 8.078 -17.208 3.676 1.00 3.24 N ATOM 937 CA LEU A 542 8.012 -18.617 3.303 1.00 2.51 C ATOM 938 C LEU A 542 9.408 -19.180 3.056 1.00 32.42 C ATOM 939 O LEU A 542 9.621 -20.390 3.132 1.00 35.10 O ATOM 940 CB LEU A 542 7.150 -18.793 2.052 1.00 32.01 C ATOM 941 CG LEU A 542 5.646 -18.935 2.288 1.00 13.33 C ATOM 942 CD1 LEU A 542 5.327 -20.290 2.900 1.00 73.23 C ATOM 943 CD2 LEU A 542 5.138 -17.812 3.181 1.00 0.03 C ATOM 0 H LEU A 542 7.654 -16.573 3.000 1.00 3.24 H new ATOM 0 HA LEU A 542 7.560 -19.166 4.129 1.00 2.51 H new ATOM 0 HB2 LEU A 542 7.316 -17.937 1.398 1.00 32.01 H new ATOM 0 HB3 LEU A 542 7.498 -19.676 1.516 1.00 32.01 H new ATOM 0 HG LEU A 542 5.139 -18.865 1.326 1.00 13.33 H new ATOM 0 HD11 LEU A 542 4.252 -20.373 3.061 1.00 73.23 H new ATOM 0 HD12 LEU A 542 5.655 -21.080 2.225 1.00 73.23 H new ATOM 0 HD13 LEU A 542 5.845 -20.390 3.854 1.00 73.23 H new ATOM 0 HD21 LEU A 542 4.066 -17.929 3.338 1.00 0.03 H new ATOM 0 HD22 LEU A 542 5.652 -17.850 4.141 1.00 0.03 H new ATOM 0 HD23 LEU A 542 5.332 -16.851 2.704 1.00 0.03 H new ATOM 955 N GLN A 543 10.355 -18.295 2.763 1.00 73.13 N ATOM 956 CA GLN A 543 11.730 -18.705 2.506 1.00 23.34 C ATOM 957 C GLN A 543 12.501 -18.872 3.812 1.00 51.20 C ATOM 958 O GLN A 543 13.014 -19.951 4.109 1.00 73.40 O ATOM 959 CB GLN A 543 12.432 -17.681 1.613 1.00 3.12 C ATOM 960 CG GLN A 543 12.336 -18.000 0.130 1.00 24.10 C ATOM 961 CD GLN A 543 13.116 -19.243 -0.251 1.00 31.31 C ATOM 962 OE1 GLN A 543 13.836 -19.814 0.569 1.00 41.03 O ATOM 963 NE2 GLN A 543 12.976 -19.670 -1.500 1.00 71.45 N ATOM 0 H GLN A 543 10.195 -17.290 2.698 1.00 73.13 H new ATOM 0 HA GLN A 543 11.706 -19.667 1.994 1.00 23.34 H new ATOM 0 HB2 GLN A 543 11.999 -16.697 1.793 1.00 3.12 H new ATOM 0 HB3 GLN A 543 13.483 -17.624 1.897 1.00 3.12 H new ATOM 0 HG2 GLN A 543 11.289 -18.135 -0.142 1.00 24.10 H new ATOM 0 HG3 GLN A 543 12.708 -17.152 -0.445 1.00 24.10 H new ATOM 0 HE21 GLN A 543 12.369 -19.166 -2.146 1.00 71.45 H new ATOM 0 HE22 GLN A 543 13.476 -20.502 -1.814 1.00 71.45 H new ATOM 972 N HIS A 544 12.579 -17.796 4.589 1.00 41.13 N ATOM 973 CA HIS A 544 13.287 -17.823 5.863 1.00 25.15 C ATOM 974 C HIS A 544 12.542 -18.681 6.881 1.00 14.33 C ATOM 975 O HIS A 544 13.104 -19.615 7.452 1.00 23.30 O ATOM 976 CB HIS A 544 13.461 -16.404 6.405 1.00 42.21 C ATOM 977 CG HIS A 544 14.564 -15.639 5.739 1.00 75.42 C ATOM 978 ND1 HIS A 544 14.845 -14.320 6.026 1.00 22.51 N ATOM 979 CD2 HIS A 544 15.458 -16.016 4.795 1.00 34.40 C ATOM 980 CE1 HIS A 544 15.864 -13.919 5.287 1.00 54.23 C ATOM 981 NE2 HIS A 544 16.254 -14.929 4.531 1.00 20.42 N ATOM 0 H HIS A 544 12.160 -16.895 4.358 1.00 41.13 H new ATOM 0 HA HIS A 544 14.270 -18.262 5.694 1.00 25.15 H new ATOM 0 HB2 HIS A 544 12.525 -15.859 6.280 1.00 42.21 H new ATOM 0 HB3 HIS A 544 13.660 -16.455 7.475 1.00 42.21 H new ATOM 0 HD2 HIS A 544 15.531 -16.990 4.335 1.00 34.40 H new ATOM 0 HE1 HIS A 544 16.303 -12.933 5.299 1.00 54.23 H new ATOM 0 HE2 HIS A 544 17.022 -14.905 3.860 1.00 20.42 H new ATOM 989 N PHE A 545 11.272 -18.356 7.104 1.00 24.23 N ATOM 990 CA PHE A 545 10.450 -19.096 8.055 1.00 52.33 C ATOM 991 C PHE A 545 9.778 -20.288 7.380 1.00 53.21 C ATOM 992 O PHE A 545 8.584 -20.530 7.564 1.00 3.43 O ATOM 993 CB PHE A 545 9.390 -18.177 8.667 1.00 70.52 C ATOM 994 CG PHE A 545 9.963 -17.106 9.550 1.00 32.21 C ATOM 995 CD1 PHE A 545 9.821 -17.175 10.927 1.00 71.34 C ATOM 996 CD2 PHE A 545 10.643 -16.030 9.004 1.00 52.44 C ATOM 997 CE1 PHE A 545 10.347 -16.191 11.742 1.00 22.33 C ATOM 998 CE2 PHE A 545 11.172 -15.043 9.814 1.00 15.12 C ATOM 999 CZ PHE A 545 11.022 -15.123 11.185 1.00 25.21 C ATOM 0 H PHE A 545 10.791 -17.586 6.640 1.00 24.23 H new ATOM 0 HA PHE A 545 11.100 -19.468 8.847 1.00 52.33 H new ATOM 0 HB2 PHE A 545 8.820 -17.709 7.865 1.00 70.52 H new ATOM 0 HB3 PHE A 545 8.690 -18.779 9.247 1.00 70.52 H new ATOM 0 HD1 PHE A 545 9.293 -18.008 11.368 1.00 71.34 H new ATOM 0 HD2 PHE A 545 10.761 -15.961 7.933 1.00 52.44 H new ATOM 0 HE1 PHE A 545 10.230 -16.257 12.814 1.00 22.33 H new ATOM 0 HE2 PHE A 545 11.702 -14.210 9.376 1.00 15.12 H new ATOM 0 HZ PHE A 545 11.432 -14.352 11.820 1.00 25.21 H new ATOM 1009 N THR A 546 10.553 -21.031 6.596 1.00 53.12 N ATOM 1010 CA THR A 546 10.034 -22.197 5.892 1.00 53.54 C ATOM 1011 C THR A 546 9.892 -23.389 6.831 1.00 1.51 C ATOM 1012 O THR A 546 9.004 -24.223 6.660 1.00 34.42 O ATOM 1013 CB THR A 546 10.943 -22.592 4.713 1.00 42.32 C ATOM 1014 OG1 THR A 546 10.292 -23.574 3.899 1.00 12.42 O ATOM 1015 CG2 THR A 546 12.271 -23.141 5.214 1.00 54.42 C ATOM 0 H THR A 546 11.543 -20.846 6.433 1.00 53.12 H new ATOM 0 HA THR A 546 9.052 -21.922 5.508 1.00 53.54 H new ATOM 0 HB THR A 546 11.137 -21.699 4.118 1.00 42.32 H new ATOM 0 HG1 THR A 546 10.876 -23.818 3.151 1.00 12.42 H new ATOM 0 HG21 THR A 546 12.896 -23.413 4.364 1.00 54.42 H new ATOM 0 HG22 THR A 546 12.778 -22.381 5.809 1.00 54.42 H new ATOM 0 HG23 THR A 546 12.091 -24.023 5.829 1.00 54.42 H new ATOM 1023 N ARG A 547 10.773 -23.461 7.824 1.00 73.51 N ATOM 1024 CA ARG A 547 10.745 -24.552 8.791 1.00 64.44 C ATOM 1025 C ARG A 547 10.478 -24.026 10.198 1.00 41.55 C ATOM 1026 O ARG A 547 10.018 -24.761 11.071 1.00 23.45 O ATOM 1027 CB ARG A 547 12.069 -25.319 8.764 1.00 3.45 C ATOM 1028 CG ARG A 547 13.274 -24.466 9.129 1.00 53.01 C ATOM 1029 CD ARG A 547 13.896 -23.825 7.898 1.00 75.20 C ATOM 1030 NE ARG A 547 15.345 -23.697 8.021 1.00 62.33 N ATOM 1031 CZ ARG A 547 16.182 -24.726 7.949 1.00 23.23 C ATOM 1032 NH1 ARG A 547 15.716 -25.952 7.756 1.00 21.34 N ATOM 1033 NH2 ARG A 547 17.489 -24.530 8.070 1.00 0.53 N ATOM 0 H ARG A 547 11.514 -22.778 7.980 1.00 73.51 H new ATOM 0 HA ARG A 547 9.935 -25.228 8.515 1.00 64.44 H new ATOM 0 HB2 ARG A 547 12.007 -26.160 9.455 1.00 3.45 H new ATOM 0 HB3 ARG A 547 12.218 -25.736 7.768 1.00 3.45 H new ATOM 0 HG2 ARG A 547 12.972 -23.689 9.832 1.00 53.01 H new ATOM 0 HG3 ARG A 547 14.017 -25.082 9.635 1.00 53.01 H new ATOM 0 HD2 ARG A 547 13.658 -24.423 7.018 1.00 75.20 H new ATOM 0 HD3 ARG A 547 13.457 -22.840 7.741 1.00 75.20 H new ATOM 0 HE ARG A 547 15.736 -22.767 8.170 1.00 62.33 H new ATOM 0 HH11 ARG A 547 14.712 -26.107 7.662 1.00 21.34 H new ATOM 0 HH12 ARG A 547 16.361 -26.740 7.701 1.00 21.34 H new ATOM 0 HH21 ARG A 547 17.852 -23.588 8.218 1.00 0.53 H new ATOM 0 HH22 ARG A 547 18.131 -25.321 8.015 1.00 0.53 H new ATOM 1047 N THR A 548 10.770 -22.746 10.410 1.00 13.12 N ATOM 1048 CA THR A 548 10.563 -22.121 11.710 1.00 12.33 C ATOM 1049 C THR A 548 9.352 -21.195 11.689 1.00 40.24 C ATOM 1050 O THR A 548 9.292 -20.255 10.896 1.00 75.14 O ATOM 1051 CB THR A 548 11.801 -21.318 12.151 1.00 42.41 C ATOM 1052 OG1 THR A 548 12.937 -22.184 12.251 1.00 72.11 O ATOM 1053 CG2 THR A 548 11.557 -20.637 13.489 1.00 33.12 C ATOM 0 H THR A 548 11.150 -22.123 9.698 1.00 13.12 H new ATOM 0 HA THR A 548 10.389 -22.927 12.423 1.00 12.33 H new ATOM 0 HB THR A 548 11.994 -20.551 11.401 1.00 42.41 H new ATOM 0 HG1 THR A 548 13.720 -21.665 12.530 1.00 72.11 H new ATOM 0 HG21 THR A 548 12.445 -20.076 13.779 1.00 33.12 H new ATOM 0 HG22 THR A 548 10.710 -19.956 13.402 1.00 33.12 H new ATOM 0 HG23 THR A 548 11.340 -21.390 14.246 1.00 33.12 H new ATOM 1061 N ARG A 549 8.390 -21.466 12.565 1.00 41.33 N ATOM 1062 CA ARG A 549 7.180 -20.656 12.645 1.00 21.43 C ATOM 1063 C ARG A 549 6.628 -20.645 14.068 1.00 54.44 C ATOM 1064 O ARG A 549 7.165 -21.303 14.958 1.00 25.32 O ATOM 1065 CB ARG A 549 6.120 -21.188 11.679 1.00 32.43 C ATOM 1066 CG ARG A 549 6.441 -20.925 10.217 1.00 11.12 C ATOM 1067 CD ARG A 549 7.239 -22.067 9.608 1.00 42.23 C ATOM 1068 NE ARG A 549 6.715 -22.466 8.304 1.00 21.44 N ATOM 1069 CZ ARG A 549 5.698 -23.307 8.147 1.00 5.14 C ATOM 1070 NH1 ARG A 549 5.100 -23.833 9.207 1.00 75.23 N ATOM 1071 NH2 ARG A 549 5.279 -23.622 6.929 1.00 53.03 N ATOM 0 H ARG A 549 8.425 -22.240 13.229 1.00 41.33 H new ATOM 0 HA ARG A 549 7.436 -19.634 12.365 1.00 21.43 H new ATOM 0 HB2 ARG A 549 6.009 -22.262 11.830 1.00 32.43 H new ATOM 0 HB3 ARG A 549 5.160 -20.731 11.919 1.00 32.43 H new ATOM 0 HG2 ARG A 549 5.515 -20.789 9.659 1.00 11.12 H new ATOM 0 HG3 ARG A 549 7.006 -19.997 10.129 1.00 11.12 H new ATOM 0 HD2 ARG A 549 8.281 -21.766 9.503 1.00 42.23 H new ATOM 0 HD3 ARG A 549 7.221 -22.922 10.283 1.00 42.23 H new ATOM 0 HE ARG A 549 7.153 -22.078 7.469 1.00 21.44 H new ATOM 0 HH11 ARG A 549 5.420 -23.592 10.145 1.00 75.23 H new ATOM 0 HH12 ARG A 549 4.320 -24.478 9.084 1.00 75.23 H new ATOM 0 HH21 ARG A 549 5.737 -23.219 6.112 1.00 53.03 H new ATOM 0 HH22 ARG A 549 4.498 -24.268 6.809 1.00 53.03 H new ATOM 1085 N ILE A 550 5.552 -19.892 14.273 1.00 42.32 N ATOM 1086 CA ILE A 550 4.927 -19.795 15.586 1.00 23.01 C ATOM 1087 C ILE A 550 3.550 -19.148 15.493 1.00 34.01 C ATOM 1088 O ILE A 550 3.082 -18.811 14.405 1.00 41.25 O ATOM 1089 CB ILE A 550 5.797 -18.985 16.565 1.00 4.03 C ATOM 1090 CG1 ILE A 550 5.533 -19.430 18.005 1.00 14.01 C ATOM 1091 CG2 ILE A 550 5.527 -17.496 16.407 1.00 31.20 C ATOM 1092 CD1 ILE A 550 6.791 -19.595 18.828 1.00 63.24 C ATOM 0 H ILE A 550 5.095 -19.341 13.547 1.00 42.32 H new ATOM 0 HA ILE A 550 4.823 -20.813 15.962 1.00 23.01 H new ATOM 0 HB ILE A 550 6.846 -19.171 16.334 1.00 4.03 H new ATOM 0 HG12 ILE A 550 4.885 -18.699 18.489 1.00 14.01 H new ATOM 0 HG13 ILE A 550 4.992 -20.376 17.991 1.00 14.01 H new ATOM 0 HG21 ILE A 550 6.150 -16.937 17.106 1.00 31.20 H new ATOM 0 HG22 ILE A 550 5.761 -17.190 15.387 1.00 31.20 H new ATOM 0 HG23 ILE A 550 4.476 -17.293 16.614 1.00 31.20 H new ATOM 0 HD11 ILE A 550 6.527 -19.912 19.837 1.00 63.24 H new ATOM 0 HD12 ILE A 550 7.431 -20.347 18.367 1.00 63.24 H new ATOM 0 HD13 ILE A 550 7.323 -18.645 18.874 1.00 63.24 H new ATOM 1104 N LEU A 551 2.904 -18.976 16.641 1.00 3.14 N ATOM 1105 CA LEU A 551 1.580 -18.367 16.691 1.00 53.22 C ATOM 1106 C LEU A 551 1.455 -17.251 15.659 1.00 54.25 C ATOM 1107 O LEU A 551 0.432 -17.125 14.986 1.00 31.54 O ATOM 1108 CB LEU A 551 1.302 -17.816 18.090 1.00 11.25 C ATOM 1109 CG LEU A 551 2.165 -16.632 18.529 1.00 33.13 C ATOM 1110 CD1 LEU A 551 1.492 -15.318 18.166 1.00 40.52 C ATOM 1111 CD2 LEU A 551 2.439 -16.697 20.025 1.00 70.53 C ATOM 0 H LEU A 551 3.276 -19.250 17.550 1.00 3.14 H new ATOM 0 HA LEU A 551 0.845 -19.137 16.458 1.00 53.22 H new ATOM 0 HB2 LEU A 551 0.256 -17.515 18.139 1.00 11.25 H new ATOM 0 HB3 LEU A 551 1.435 -18.624 18.810 1.00 11.25 H new ATOM 0 HG LEU A 551 3.118 -16.687 18.002 1.00 33.13 H new ATOM 0 HD11 LEU A 551 2.120 -14.487 18.486 1.00 40.52 H new ATOM 0 HD12 LEU A 551 1.348 -15.269 17.087 1.00 40.52 H new ATOM 0 HD13 LEU A 551 0.525 -15.255 18.665 1.00 40.52 H new ATOM 0 HD21 LEU A 551 3.054 -15.847 20.319 1.00 70.53 H new ATOM 0 HD22 LEU A 551 1.495 -16.668 20.569 1.00 70.53 H new ATOM 0 HD23 LEU A 551 2.964 -17.623 20.259 1.00 70.53 H new ATOM 1123 N ASN A 552 2.504 -16.444 15.537 1.00 14.32 N ATOM 1124 CA ASN A 552 2.512 -15.339 14.585 1.00 12.23 C ATOM 1125 C ASN A 552 2.758 -15.844 13.167 1.00 24.51 C ATOM 1126 O ASN A 552 1.912 -15.692 12.286 1.00 64.43 O ATOM 1127 CB ASN A 552 3.584 -14.317 14.968 1.00 50.51 C ATOM 1128 CG ASN A 552 3.928 -13.384 13.823 1.00 44.12 C ATOM 1129 OD1 ASN A 552 3.078 -13.060 12.994 1.00 14.32 O ATOM 1130 ND2 ASN A 552 5.182 -12.948 13.772 1.00 53.13 N ATOM 0 H ASN A 552 3.359 -16.534 16.085 1.00 14.32 H new ATOM 0 HA ASN A 552 1.534 -14.859 14.615 1.00 12.23 H new ATOM 0 HB2 ASN A 552 3.236 -13.731 15.819 1.00 50.51 H new ATOM 0 HB3 ASN A 552 4.484 -14.841 15.289 1.00 50.51 H new ATOM 0 HD21 ASN A 552 5.473 -12.319 13.024 1.00 53.13 H new ATOM 0 HD22 ASN A 552 5.854 -13.243 14.481 1.00 53.13 H new ATOM 1137 N LYS A 553 3.923 -16.447 12.954 1.00 22.31 N ATOM 1138 CA LYS A 553 4.282 -16.978 11.644 1.00 4.04 C ATOM 1139 C LYS A 553 3.313 -18.076 11.218 1.00 40.44 C ATOM 1140 O LYS A 553 2.575 -18.635 12.029 1.00 54.24 O ATOM 1141 CB LYS A 553 5.711 -17.525 11.667 1.00 23.44 C ATOM 1142 CG LYS A 553 6.662 -16.708 12.525 1.00 31.31 C ATOM 1143 CD LYS A 553 6.626 -15.236 12.150 1.00 64.33 C ATOM 1144 CE LYS A 553 7.022 -15.022 10.697 1.00 72.03 C ATOM 1145 NZ LYS A 553 5.918 -14.411 9.906 1.00 72.23 N ATOM 0 H LYS A 553 4.635 -16.580 13.672 1.00 22.31 H new ATOM 0 HA LYS A 553 4.222 -16.164 10.921 1.00 4.04 H new ATOM 0 HB2 LYS A 553 5.692 -18.551 12.036 1.00 23.44 H new ATOM 0 HB3 LYS A 553 6.094 -17.560 10.647 1.00 23.44 H new ATOM 0 HG2 LYS A 553 6.396 -16.823 13.576 1.00 31.31 H new ATOM 0 HG3 LYS A 553 7.677 -17.089 12.409 1.00 31.31 H new ATOM 0 HD2 LYS A 553 5.624 -14.841 12.317 1.00 64.33 H new ATOM 0 HD3 LYS A 553 7.301 -14.677 12.798 1.00 64.33 H new ATOM 0 HE2 LYS A 553 7.901 -14.379 10.651 1.00 72.03 H new ATOM 0 HE3 LYS A 553 7.302 -15.977 10.252 1.00 72.03 H new ATOM 0 HZ1 LYS A 553 6.318 -13.806 9.161 1.00 72.23 H new ATOM 0 HZ2 LYS A 553 5.346 -15.162 9.471 1.00 72.23 H new ATOM 0 HZ3 LYS A 553 5.318 -13.838 10.533 1.00 72.23 H new ATOM 1159 N PRO A 554 3.315 -18.394 9.915 1.00 55.15 N ATOM 1160 CA PRO A 554 2.442 -19.429 9.351 1.00 2.44 C ATOM 1161 C PRO A 554 2.845 -20.831 9.795 1.00 41.12 C ATOM 1162 O PRO A 554 3.458 -21.580 9.035 1.00 42.11 O ATOM 1163 CB PRO A 554 2.633 -19.270 7.841 1.00 50.11 C ATOM 1164 CG PRO A 554 3.983 -18.657 7.692 1.00 55.21 C ATOM 1165 CD PRO A 554 4.168 -17.768 8.891 1.00 64.42 C ATOM 0 HA PRO A 554 1.408 -19.314 9.678 1.00 2.44 H new ATOM 0 HB2 PRO A 554 2.577 -20.232 7.331 1.00 50.11 H new ATOM 0 HB3 PRO A 554 1.860 -18.635 7.409 1.00 50.11 H new ATOM 0 HG2 PRO A 554 4.757 -19.423 7.651 1.00 55.21 H new ATOM 0 HG3 PRO A 554 4.052 -18.084 6.767 1.00 55.21 H new ATOM 0 HD2 PRO A 554 5.211 -17.730 9.206 1.00 64.42 H new ATOM 0 HD3 PRO A 554 3.860 -16.743 8.683 1.00 64.42 H new ATOM 1173 N MET A 555 2.496 -21.179 11.029 1.00 62.41 N ATOM 1174 CA MET A 555 2.821 -22.493 11.572 1.00 33.31 C ATOM 1175 C MET A 555 2.067 -23.591 10.827 1.00 4.32 C ATOM 1176 O MET A 555 2.665 -24.559 10.360 1.00 21.10 O ATOM 1177 CB MET A 555 2.484 -22.549 13.063 1.00 22.55 C ATOM 1178 CG MET A 555 2.585 -23.945 13.657 1.00 72.30 C ATOM 1179 SD MET A 555 4.256 -24.617 13.573 1.00 0.11 S ATOM 1180 CE MET A 555 4.126 -25.992 14.713 1.00 31.12 C ATOM 0 H MET A 555 1.989 -20.570 11.671 1.00 62.41 H new ATOM 0 HA MET A 555 3.890 -22.658 11.442 1.00 33.31 H new ATOM 0 HB2 MET A 555 3.156 -21.883 13.604 1.00 22.55 H new ATOM 0 HB3 MET A 555 1.472 -22.172 13.213 1.00 22.55 H new ATOM 0 HG2 MET A 555 2.261 -23.917 14.697 1.00 72.30 H new ATOM 0 HG3 MET A 555 1.903 -24.611 13.128 1.00 72.30 H new ATOM 0 HE1 MET A 555 5.084 -26.509 14.770 1.00 31.12 H new ATOM 0 HE2 MET A 555 3.855 -25.621 15.701 1.00 31.12 H new ATOM 0 HE3 MET A 555 3.360 -26.684 14.363 1.00 31.12 H new ATOM 1190 N ASN A 556 0.752 -23.432 10.721 1.00 61.02 N ATOM 1191 CA ASN A 556 -0.083 -24.410 10.033 1.00 24.52 C ATOM 1192 C ASN A 556 -1.307 -23.742 9.414 1.00 24.24 C ATOM 1193 O ASN A 556 -2.440 -24.013 9.810 1.00 52.43 O ATOM 1194 CB ASN A 556 -0.523 -25.508 11.004 1.00 70.00 C ATOM 1195 CG ASN A 556 -0.942 -26.778 10.289 1.00 21.21 C ATOM 1196 OD1 ASN A 556 -1.714 -26.739 9.331 1.00 44.33 O ATOM 1197 ND2 ASN A 556 -0.433 -27.914 10.754 1.00 55.42 N ATOM 0 H ASN A 556 0.242 -22.636 11.103 1.00 61.02 H new ATOM 0 HA ASN A 556 0.508 -24.856 9.233 1.00 24.52 H new ATOM 0 HB2 ASN A 556 0.295 -25.733 11.689 1.00 70.00 H new ATOM 0 HB3 ASN A 556 -1.354 -25.143 11.608 1.00 70.00 H new ATOM 0 HD21 ASN A 556 -0.679 -28.801 10.314 1.00 55.42 H new ATOM 0 HD22 ASN A 556 0.204 -27.899 11.551 1.00 55.42 H new ATOM 1204 N MET A 557 -1.069 -22.869 8.441 1.00 4.13 N ATOM 1205 CA MET A 557 -2.152 -22.163 7.766 1.00 22.34 C ATOM 1206 C MET A 557 -2.369 -22.717 6.362 1.00 41.44 C ATOM 1207 O MET A 557 -1.601 -23.555 5.890 1.00 1.23 O ATOM 1208 CB MET A 557 -1.848 -20.666 7.696 1.00 44.41 C ATOM 1209 CG MET A 557 -0.455 -20.352 7.173 1.00 20.34 C ATOM 1210 SD MET A 557 -0.475 -19.187 5.797 1.00 32.25 S ATOM 1211 CE MET A 557 -0.449 -20.310 4.402 1.00 33.24 C ATOM 0 H MET A 557 -0.136 -22.633 8.102 1.00 4.13 H new ATOM 0 HA MET A 557 -3.065 -22.313 8.342 1.00 22.34 H new ATOM 0 HB2 MET A 557 -2.585 -20.184 7.054 1.00 44.41 H new ATOM 0 HB3 MET A 557 -1.960 -20.234 8.691 1.00 44.41 H new ATOM 0 HG2 MET A 557 0.149 -19.942 7.982 1.00 20.34 H new ATOM 0 HG3 MET A 557 0.026 -21.277 6.854 1.00 20.34 H new ATOM 0 HE1 MET A 557 -0.369 -19.739 3.477 1.00 33.24 H new ATOM 0 HE2 MET A 557 0.406 -20.980 4.490 1.00 33.24 H new ATOM 0 HE3 MET A 557 -1.369 -20.895 4.389 1.00 33.24 H new ATOM 1221 N GLN A 558 -3.419 -22.242 5.699 1.00 30.33 N ATOM 1222 CA GLN A 558 -3.736 -22.691 4.349 1.00 73.42 C ATOM 1223 C GLN A 558 -4.371 -21.568 3.536 1.00 11.55 C ATOM 1224 O GLN A 558 -5.201 -20.812 4.044 1.00 20.25 O ATOM 1225 CB GLN A 558 -4.678 -23.896 4.397 1.00 24.23 C ATOM 1226 CG GLN A 558 -4.293 -24.927 5.447 1.00 55.42 C ATOM 1227 CD GLN A 558 -5.124 -26.191 5.355 1.00 73.24 C ATOM 1228 OE1 GLN A 558 -5.907 -26.367 4.421 1.00 52.34 O ATOM 1229 NE2 GLN A 558 -4.958 -27.081 6.326 1.00 61.42 N ATOM 0 H GLN A 558 -4.064 -21.547 6.075 1.00 30.33 H new ATOM 0 HA GLN A 558 -2.805 -22.985 3.864 1.00 73.42 H new ATOM 0 HB2 GLN A 558 -5.691 -23.547 4.597 1.00 24.23 H new ATOM 0 HB3 GLN A 558 -4.693 -24.375 3.418 1.00 24.23 H new ATOM 0 HG2 GLN A 558 -3.239 -25.180 5.333 1.00 55.42 H new ATOM 0 HG3 GLN A 558 -4.410 -24.491 6.439 1.00 55.42 H new ATOM 0 HE21 GLN A 558 -4.298 -26.895 7.081 1.00 61.42 H new ATOM 0 HE22 GLN A 558 -5.490 -27.951 6.317 1.00 61.42 H new ATOM 1238 N LEU A 559 -3.976 -21.462 2.273 1.00 41.14 N ATOM 1239 CA LEU A 559 -4.506 -20.429 1.389 1.00 70.41 C ATOM 1240 C LEU A 559 -5.938 -20.750 0.974 1.00 34.42 C ATOM 1241 O LEU A 559 -6.202 -21.790 0.368 1.00 54.54 O ATOM 1242 CB LEU A 559 -3.623 -20.290 0.148 1.00 42.31 C ATOM 1243 CG LEU A 559 -3.929 -19.101 -0.764 1.00 0.34 C ATOM 1244 CD1 LEU A 559 -5.156 -19.384 -1.617 1.00 24.14 C ATOM 1245 CD2 LEU A 559 -4.129 -17.836 0.059 1.00 75.12 C ATOM 0 H LEU A 559 -3.290 -22.079 1.837 1.00 41.14 H new ATOM 0 HA LEU A 559 -4.508 -19.485 1.934 1.00 70.41 H new ATOM 0 HB2 LEU A 559 -2.585 -20.216 0.472 1.00 42.31 H new ATOM 0 HB3 LEU A 559 -3.709 -21.204 -0.439 1.00 42.31 H new ATOM 0 HG LEU A 559 -3.078 -18.948 -1.428 1.00 0.34 H new ATOM 0 HD11 LEU A 559 -5.358 -18.527 -2.259 1.00 24.14 H new ATOM 0 HD12 LEU A 559 -4.975 -20.265 -2.233 1.00 24.14 H new ATOM 0 HD13 LEU A 559 -6.015 -19.564 -0.971 1.00 24.14 H new ATOM 0 HD21 LEU A 559 -4.346 -17.000 -0.606 1.00 75.12 H new ATOM 0 HD22 LEU A 559 -4.962 -17.978 0.747 1.00 75.12 H new ATOM 0 HD23 LEU A 559 -3.222 -17.623 0.626 1.00 75.12 H new ATOM 1257 N LEU A 560 -6.859 -19.852 1.303 1.00 15.50 N ATOM 1258 CA LEU A 560 -8.266 -20.037 0.963 1.00 62.53 C ATOM 1259 C LEU A 560 -8.737 -18.963 -0.013 1.00 23.44 C ATOM 1260 O LEU A 560 -9.628 -19.198 -0.827 1.00 71.04 O ATOM 1261 CB LEU A 560 -9.125 -20.006 2.228 1.00 74.14 C ATOM 1262 CG LEU A 560 -9.473 -18.619 2.768 1.00 14.24 C ATOM 1263 CD1 LEU A 560 -10.810 -18.150 2.214 1.00 4.52 C ATOM 1264 CD2 LEU A 560 -9.499 -18.631 4.290 1.00 54.41 C ATOM 0 H LEU A 560 -6.657 -18.987 1.805 1.00 15.50 H new ATOM 0 HA LEU A 560 -8.373 -21.009 0.483 1.00 62.53 H new ATOM 0 HB2 LEU A 560 -10.054 -20.539 2.025 1.00 74.14 H new ATOM 0 HB3 LEU A 560 -8.605 -20.559 3.010 1.00 74.14 H new ATOM 0 HG LEU A 560 -8.703 -17.920 2.443 1.00 14.24 H new ATOM 0 HD11 LEU A 560 -11.041 -17.161 2.610 1.00 4.52 H new ATOM 0 HD12 LEU A 560 -10.757 -18.103 1.126 1.00 4.52 H new ATOM 0 HD13 LEU A 560 -11.592 -18.850 2.509 1.00 4.52 H new ATOM 0 HD21 LEU A 560 -9.748 -17.636 4.657 1.00 54.41 H new ATOM 0 HD22 LEU A 560 -10.248 -19.344 4.635 1.00 54.41 H new ATOM 0 HD23 LEU A 560 -8.519 -18.923 4.668 1.00 54.41 H new ATOM 1276 N GLY A 561 -8.129 -17.784 0.075 1.00 13.24 N ATOM 1277 CA GLY A 561 -8.498 -16.692 -0.806 1.00 54.24 C ATOM 1278 C GLY A 561 -7.859 -16.811 -2.176 1.00 1.25 C ATOM 1279 O GLY A 561 -7.493 -17.905 -2.604 1.00 62.32 O ATOM 0 H GLY A 561 -7.388 -17.566 0.741 1.00 13.24 H new ATOM 0 HA2 GLY A 561 -9.582 -16.668 -0.915 1.00 54.24 H new ATOM 0 HA3 GLY A 561 -8.202 -15.747 -0.351 1.00 54.24 H new ATOM 1283 N ASP A 562 -7.726 -15.683 -2.864 1.00 45.23 N ATOM 1284 CA ASP A 562 -7.126 -15.665 -4.194 1.00 35.02 C ATOM 1285 C ASP A 562 -6.810 -14.237 -4.628 1.00 24.30 C ATOM 1286 O ASP A 562 -7.679 -13.367 -4.615 1.00 11.32 O ATOM 1287 CB ASP A 562 -8.063 -16.324 -5.208 1.00 14.54 C ATOM 1288 CG ASP A 562 -7.312 -16.989 -6.343 1.00 63.43 C ATOM 1289 OD1 ASP A 562 -6.423 -17.819 -6.060 1.00 22.21 O ATOM 1290 OD2 ASP A 562 -7.612 -16.680 -7.516 1.00 4.03 O ATOM 0 H ASP A 562 -8.025 -14.769 -2.524 1.00 45.23 H new ATOM 0 HA ASP A 562 -6.194 -16.228 -4.153 1.00 35.02 H new ATOM 0 HB2 ASP A 562 -8.679 -17.066 -4.700 1.00 14.54 H new ATOM 0 HB3 ASP A 562 -8.740 -15.572 -5.615 1.00 14.54 H new ATOM 1295 N ALA A 563 -5.559 -14.005 -5.011 1.00 45.33 N ATOM 1296 CA ALA A 563 -5.127 -12.683 -5.450 1.00 72.42 C ATOM 1297 C ALA A 563 -6.062 -12.128 -6.519 1.00 43.14 C ATOM 1298 O ALA A 563 -6.339 -12.791 -7.519 1.00 2.44 O ATOM 1299 CB ALA A 563 -3.699 -12.741 -5.973 1.00 13.25 C ATOM 0 H ALA A 563 -4.827 -14.715 -5.026 1.00 45.33 H new ATOM 0 HA ALA A 563 -5.160 -12.013 -4.591 1.00 72.42 H new ATOM 0 HB1 ALA A 563 -3.390 -11.747 -6.297 1.00 13.25 H new ATOM 0 HB2 ALA A 563 -3.035 -13.087 -5.181 1.00 13.25 H new ATOM 0 HB3 ALA A 563 -3.648 -13.430 -6.816 1.00 13.25 H new ATOM 1305 N GLN A 564 -6.544 -10.909 -6.302 1.00 13.24 N ATOM 1306 CA GLN A 564 -7.449 -10.266 -7.247 1.00 52.20 C ATOM 1307 C GLN A 564 -6.870 -10.290 -8.658 1.00 21.23 C ATOM 1308 O GLN A 564 -7.542 -10.688 -9.610 1.00 15.14 O ATOM 1309 CB GLN A 564 -7.725 -8.823 -6.821 1.00 4.31 C ATOM 1310 CG GLN A 564 -9.143 -8.362 -7.114 1.00 35.25 C ATOM 1311 CD GLN A 564 -10.164 -8.990 -6.185 1.00 0.13 C ATOM 1312 OE1 GLN A 564 -9.917 -9.150 -4.989 1.00 43.21 O ATOM 1313 NE2 GLN A 564 -11.320 -9.350 -6.731 1.00 3.52 N ATOM 0 H GLN A 564 -6.323 -10.347 -5.480 1.00 13.24 H new ATOM 0 HA GLN A 564 -8.386 -10.822 -7.249 1.00 52.20 H new ATOM 0 HB2 GLN A 564 -7.534 -8.726 -5.752 1.00 4.31 H new ATOM 0 HB3 GLN A 564 -7.024 -8.162 -7.331 1.00 4.31 H new ATOM 0 HG2 GLN A 564 -9.194 -7.277 -7.024 1.00 35.25 H new ATOM 0 HG3 GLN A 564 -9.395 -8.609 -8.145 1.00 35.25 H new ATOM 0 HE21 GLN A 564 -11.483 -9.199 -7.727 1.00 3.52 H new ATOM 0 HE22 GLN A 564 -12.045 -9.777 -6.155 1.00 3.52 H new TER 1322 GLN A 564