USER MOD reduce.3.24.130724 H: found=0, std=0, add=1157, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1157 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 57 LYS NZ :NH3+ -105:sc= 1.21 (180deg=0) USER MOD Set 1.2: A 59 ASN : amide:sc= 0.961 K(o=2.2,f=-4.7) USER MOD Single : A 1 MET CE :methyl -113:sc= -0.741 (180deg=-2.24!) USER MOD Single : A 1 MET N :NH3+ 179:sc= 0.78 (180deg=0.78) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= 1.06 (180deg=0.818) USER MOD Single : A 8 ASN : amide:sc= 0.0504 X(o=0.05,f=0) USER MOD Single : A 9 THR OG1 : rot 47:sc= 0.0142 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -134:sc= 1.03 (180deg=-0.351) USER MOD Single : A 19 LYS NZ :NH3+ -143:sc= -1.68! (180deg=-3.68!) USER MOD Single : A 20 LYS NZ :NH3+ 135:sc= 0.649 (180deg=0.0383) USER MOD Single : A 24 ASN : amide:sc= 0.809 K(o=0.81,f=0) USER MOD Single : A 25 GLN : amide:sc=-0.00626 K(o=-0.0063,f=-1.5!) USER MOD Single : A 27 TYR OH : rot 48:sc= 0.662 USER MOD Single : A 28 GLN : amide:sc= -0.455 K(o=-0.46,f=-7.4!) USER MOD Single : A 33 ASN : amide:sc= 0.427 X(o=0.43,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= 0.49 (180deg=-0.409) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -163:sc= -2.49! (180deg=-3.31) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= -0.0104 (180deg=-0.145) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -152:sc= 1.15 (180deg=0.538) USER MOD Single : A 50 ASN : amide:sc= -0.0483 K(o=-0.048,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 0.32 (180deg=-0.526!) USER MOD Single : A 58 SER OG : rot 93:sc= -0.456 USER MOD Single : A 61 LYS NZ :NH3+ 147:sc= 0.848 (180deg=0.289) USER MOD Single : A 62 GLN : amide:sc=-0.00564 X(o=-0.0056,f=-0.019) USER MOD Single : A 65 LYS NZ :NH3+ 137:sc= -0.674 (180deg=-2.81!) USER MOD Single : A 67 MET CE :methyl 180:sc= -1.32 (180deg=-1.32) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0566) USER MOD Single : A 76 TYR OH : rot -15:sc= -0.358 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.0465 X(o=-0.047,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0472) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.125 X(o=0.13,f=0) USER MOD Single : A 102 TYR OH : rot -144:sc= 0.554 USER MOD Single : A 106 LYS NZ :NH3+ 158:sc= -1.25 (180deg=-1.89) USER MOD Single : A 108 THR OG1 : rot 78:sc= 0.123 USER MOD Single : A 115 LYS NZ :NH3+ -112:sc= -0.464 (180deg=-2.37!) USER MOD Single : A 121 MET CE :methyl -111:sc= -1.04 (180deg=-2.98!) USER MOD Single : A 122 GLN : amide:sc=-0.00449 X(o=-0.0045,f=-0.0045) USER MOD Single : A 123 LYS NZ :NH3+ -113:sc= -1.43 (180deg=-2.85!) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc=-0.00589 X(o=-0.0059,f=-0.0059) USER MOD Single : A 130 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.32) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.0133 X(o=-0.013,f=-0.025) USER MOD Single : A 134 HIS : no HE2:sc= -0.0572 K(o=-0.057,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.753 9.661 13.675 1.00 35.42 N ATOM 2 CA MET A 1 4.686 9.536 12.203 1.00 11.22 C ATOM 3 C MET A 1 4.797 8.058 11.796 1.00 42.05 C ATOM 4 O MET A 1 5.858 7.453 11.955 1.00 52.44 O ATOM 5 CB MET A 1 5.805 10.384 11.535 1.00 4.00 C ATOM 6 CG MET A 1 5.919 10.180 10.019 1.00 43.43 C ATOM 7 SD MET A 1 4.338 10.437 9.181 1.00 31.21 S ATOM 8 CE MET A 1 4.699 9.811 7.545 1.00 55.41 C ATOM 0 H1 MET A 1 4.694 10.665 13.941 1.00 35.42 H new ATOM 0 H2 MET A 1 3.960 9.142 14.104 1.00 35.42 H new ATOM 0 H3 MET A 1 5.652 9.264 14.017 1.00 35.42 H new ATOM 0 HA MET A 1 3.725 9.917 11.857 1.00 11.22 H new ATOM 0 HB2 MET A 1 5.617 11.439 11.737 1.00 4.00 H new ATOM 0 HB3 MET A 1 6.760 10.136 11.998 1.00 4.00 H new ATOM 0 HG2 MET A 1 6.660 10.870 9.615 1.00 43.43 H new ATOM 0 HG3 MET A 1 6.278 9.171 9.815 1.00 43.43 H new ATOM 0 HE1 MET A 1 4.680 10.632 6.829 1.00 55.41 H new ATOM 0 HE2 MET A 1 5.686 9.349 7.542 1.00 55.41 H new ATOM 0 HE3 MET A 1 3.951 9.069 7.266 1.00 55.41 H new ATOM 20 N LYS A 2 3.703 7.481 11.266 1.00 23.55 N ATOM 21 CA LYS A 2 3.680 6.082 10.810 1.00 42.02 C ATOM 22 C LYS A 2 3.694 6.034 9.268 1.00 0.11 C ATOM 23 O LYS A 2 2.965 6.785 8.606 1.00 61.21 O ATOM 24 CB LYS A 2 2.439 5.336 11.370 1.00 54.13 C ATOM 25 CG LYS A 2 2.533 3.795 11.243 1.00 32.40 C ATOM 26 CD LYS A 2 1.246 3.052 11.659 1.00 51.33 C ATOM 27 CE LYS A 2 0.746 3.430 13.060 1.00 35.24 C ATOM 28 NZ LYS A 2 1.763 3.202 14.124 1.00 73.52 N ATOM 0 H LYS A 2 2.816 7.969 11.143 1.00 23.55 H new ATOM 0 HA LYS A 2 4.570 5.578 11.188 1.00 42.02 H new ATOM 0 HB2 LYS A 2 2.311 5.599 12.420 1.00 54.13 H new ATOM 0 HB3 LYS A 2 1.549 5.682 10.844 1.00 54.13 H new ATOM 0 HG2 LYS A 2 2.770 3.539 10.210 1.00 32.40 H new ATOM 0 HG3 LYS A 2 3.360 3.440 11.857 1.00 32.40 H new ATOM 0 HD2 LYS A 2 0.462 3.265 10.932 1.00 51.33 H new ATOM 0 HD3 LYS A 2 1.429 1.978 11.625 1.00 51.33 H new ATOM 0 HE2 LYS A 2 0.454 4.480 13.064 1.00 35.24 H new ATOM 0 HE3 LYS A 2 -0.148 2.850 13.289 1.00 35.24 H new ATOM 0 HZ1 LYS A 2 1.413 3.584 15.026 1.00 73.52 H new ATOM 0 HZ2 LYS A 2 1.938 2.182 14.225 1.00 73.52 H new ATOM 0 HZ3 LYS A 2 2.649 3.681 13.866 1.00 73.52 H new ATOM 42 N ILE A 3 4.539 5.152 8.721 1.00 21.33 N ATOM 43 CA ILE A 3 4.720 4.949 7.276 1.00 74.13 C ATOM 44 C ILE A 3 4.061 3.621 6.867 1.00 5.42 C ATOM 45 O ILE A 3 4.406 2.561 7.401 1.00 20.23 O ATOM 46 CB ILE A 3 6.257 4.927 6.919 1.00 55.23 C ATOM 47 CG1 ILE A 3 6.938 6.272 7.350 1.00 34.41 C ATOM 48 CG2 ILE A 3 6.485 4.626 5.414 1.00 63.45 C ATOM 49 CD1 ILE A 3 8.439 6.337 7.121 1.00 64.42 C ATOM 0 H ILE A 3 5.132 4.543 9.285 1.00 21.33 H new ATOM 0 HA ILE A 3 4.252 5.769 6.732 1.00 74.13 H new ATOM 0 HB ILE A 3 6.726 4.118 7.479 1.00 55.23 H new ATOM 0 HG12 ILE A 3 6.467 7.090 6.805 1.00 34.41 H new ATOM 0 HG13 ILE A 3 6.740 6.438 8.409 1.00 34.41 H new ATOM 0 HG21 ILE A 3 7.554 4.618 5.202 1.00 63.45 H new ATOM 0 HG22 ILE A 3 6.060 3.653 5.169 1.00 63.45 H new ATOM 0 HG23 ILE A 3 6.002 5.395 4.812 1.00 63.45 H new ATOM 0 HD11 ILE A 3 8.816 7.305 7.451 1.00 64.42 H new ATOM 0 HD12 ILE A 3 8.928 5.545 7.688 1.00 64.42 H new ATOM 0 HD13 ILE A 3 8.651 6.207 6.060 1.00 64.42 H new ATOM 61 N LEU A 4 3.083 3.682 5.947 1.00 11.41 N ATOM 62 CA LEU A 4 2.422 2.490 5.374 1.00 3.51 C ATOM 63 C LEU A 4 2.754 2.391 3.886 1.00 20.11 C ATOM 64 O LEU A 4 2.762 3.406 3.188 1.00 24.13 O ATOM 65 CB LEU A 4 0.868 2.538 5.554 1.00 13.10 C ATOM 66 CG LEU A 4 0.291 2.159 6.961 1.00 72.03 C ATOM 67 CD1 LEU A 4 0.751 3.122 8.069 1.00 52.32 C ATOM 68 CD2 LEU A 4 -1.250 2.070 6.909 1.00 5.34 C ATOM 0 H LEU A 4 2.725 4.562 5.576 1.00 11.41 H new ATOM 0 HA LEU A 4 2.794 1.616 5.908 1.00 3.51 H new ATOM 0 HB2 LEU A 4 0.532 3.547 5.313 1.00 13.10 H new ATOM 0 HB3 LEU A 4 0.423 1.870 4.817 1.00 13.10 H new ATOM 0 HG LEU A 4 0.691 1.178 7.217 1.00 72.03 H new ATOM 0 HD11 LEU A 4 0.322 2.812 9.022 1.00 52.32 H new ATOM 0 HD12 LEU A 4 1.839 3.104 8.138 1.00 52.32 H new ATOM 0 HD13 LEU A 4 0.419 4.133 7.833 1.00 52.32 H new ATOM 0 HD21 LEU A 4 -1.633 1.806 7.895 1.00 5.34 H new ATOM 0 HD22 LEU A 4 -1.660 3.034 6.607 1.00 5.34 H new ATOM 0 HD23 LEU A 4 -1.546 1.308 6.189 1.00 5.34 H new ATOM 80 N ILE A 5 3.028 1.167 3.410 1.00 34.32 N ATOM 81 CA ILE A 5 3.083 0.853 1.976 1.00 0.50 C ATOM 82 C ILE A 5 1.959 -0.142 1.667 1.00 31.32 C ATOM 83 O ILE A 5 2.010 -1.302 2.075 1.00 50.41 O ATOM 84 CB ILE A 5 4.481 0.285 1.509 1.00 23.22 C ATOM 85 CG1 ILE A 5 5.624 1.304 1.819 1.00 32.31 C ATOM 86 CG2 ILE A 5 4.461 -0.075 -0.004 1.00 74.31 C ATOM 87 CD1 ILE A 5 7.011 0.861 1.378 1.00 74.22 C ATOM 0 H ILE A 5 3.218 0.365 4.011 1.00 34.32 H new ATOM 0 HA ILE A 5 2.950 1.780 1.418 1.00 0.50 H new ATOM 0 HB ILE A 5 4.676 -0.629 2.070 1.00 23.22 H new ATOM 0 HG12 ILE A 5 5.389 2.251 1.333 1.00 32.31 H new ATOM 0 HG13 ILE A 5 5.642 1.492 2.892 1.00 32.31 H new ATOM 0 HG21 ILE A 5 5.436 -0.464 -0.298 1.00 74.31 H new ATOM 0 HG22 ILE A 5 3.698 -0.832 -0.188 1.00 74.31 H new ATOM 0 HG23 ILE A 5 4.235 0.818 -0.587 1.00 74.31 H new ATOM 0 HD11 ILE A 5 7.738 1.632 1.635 1.00 74.22 H new ATOM 0 HD12 ILE A 5 7.274 -0.068 1.883 1.00 74.22 H new ATOM 0 HD13 ILE A 5 7.016 0.702 0.300 1.00 74.22 H new ATOM 99 N LEU A 6 0.931 0.348 0.981 1.00 11.23 N ATOM 100 CA LEU A 6 -0.231 -0.429 0.566 1.00 31.11 C ATOM 101 C LEU A 6 0.063 -1.081 -0.807 1.00 4.51 C ATOM 102 O LEU A 6 0.433 -0.396 -1.759 1.00 52.13 O ATOM 103 CB LEU A 6 -1.478 0.526 0.497 1.00 75.02 C ATOM 104 CG LEU A 6 -2.769 0.051 1.225 1.00 2.42 C ATOM 105 CD1 LEU A 6 -3.904 1.092 1.075 1.00 52.20 C ATOM 106 CD2 LEU A 6 -3.212 -1.353 0.749 1.00 12.41 C ATOM 0 H LEU A 6 0.883 1.325 0.690 1.00 11.23 H new ATOM 0 HA LEU A 6 -0.445 -1.224 1.280 1.00 31.11 H new ATOM 0 HB2 LEU A 6 -1.190 1.491 0.913 1.00 75.02 H new ATOM 0 HB3 LEU A 6 -1.721 0.691 -0.553 1.00 75.02 H new ATOM 0 HG LEU A 6 -2.537 -0.035 2.287 1.00 2.42 H new ATOM 0 HD11 LEU A 6 -4.795 0.736 1.593 1.00 52.20 H new ATOM 0 HD12 LEU A 6 -3.587 2.041 1.508 1.00 52.20 H new ATOM 0 HD13 LEU A 6 -4.131 1.234 0.018 1.00 52.20 H new ATOM 0 HD21 LEU A 6 -4.116 -1.649 1.281 1.00 12.41 H new ATOM 0 HD22 LEU A 6 -3.413 -1.328 -0.322 1.00 12.41 H new ATOM 0 HD23 LEU A 6 -2.419 -2.073 0.953 1.00 12.41 H new ATOM 118 N ILE A 7 -0.071 -2.408 -0.888 1.00 0.31 N ATOM 119 CA ILE A 7 0.107 -3.166 -2.131 1.00 51.33 C ATOM 120 C ILE A 7 -1.240 -3.769 -2.545 1.00 71.21 C ATOM 121 O ILE A 7 -1.810 -4.594 -1.814 1.00 2.53 O ATOM 122 CB ILE A 7 1.177 -4.313 -1.970 1.00 34.04 C ATOM 123 CG1 ILE A 7 2.562 -3.738 -1.541 1.00 61.13 C ATOM 124 CG2 ILE A 7 1.312 -5.154 -3.264 1.00 50.54 C ATOM 125 CD1 ILE A 7 3.219 -2.787 -2.532 1.00 34.44 C ATOM 0 H ILE A 7 -0.308 -2.992 -0.086 1.00 0.31 H new ATOM 0 HA ILE A 7 0.470 -2.483 -2.899 1.00 51.33 H new ATOM 0 HB ILE A 7 0.823 -4.974 -1.179 1.00 34.04 H new ATOM 0 HG12 ILE A 7 2.440 -3.216 -0.592 1.00 61.13 H new ATOM 0 HG13 ILE A 7 3.241 -4.572 -1.361 1.00 61.13 H new ATOM 0 HG21 ILE A 7 2.058 -5.934 -3.115 1.00 50.54 H new ATOM 0 HG22 ILE A 7 0.352 -5.611 -3.503 1.00 50.54 H new ATOM 0 HG23 ILE A 7 1.621 -4.509 -4.087 1.00 50.54 H new ATOM 0 HD11 ILE A 7 4.175 -2.449 -2.133 1.00 34.44 H new ATOM 0 HD12 ILE A 7 3.383 -3.303 -3.478 1.00 34.44 H new ATOM 0 HD13 ILE A 7 2.570 -1.927 -2.696 1.00 34.44 H new ATOM 137 N ASN A 8 -1.747 -3.324 -3.696 1.00 24.43 N ATOM 138 CA ASN A 8 -2.911 -3.917 -4.355 1.00 53.32 C ATOM 139 C ASN A 8 -2.429 -4.563 -5.647 1.00 42.14 C ATOM 140 O ASN A 8 -2.173 -3.875 -6.637 1.00 61.02 O ATOM 141 CB ASN A 8 -3.965 -2.818 -4.626 1.00 23.32 C ATOM 142 CG ASN A 8 -5.218 -3.308 -5.359 1.00 72.53 C ATOM 143 OD1 ASN A 8 -5.298 -3.249 -6.585 1.00 33.12 O ATOM 144 ND2 ASN A 8 -6.195 -3.805 -4.618 1.00 14.54 N ATOM 0 H ASN A 8 -1.355 -2.531 -4.203 1.00 24.43 H new ATOM 0 HA ASN A 8 -3.382 -4.674 -3.728 1.00 53.32 H new ATOM 0 HB2 ASN A 8 -4.265 -2.377 -3.675 1.00 23.32 H new ATOM 0 HB3 ASN A 8 -3.502 -2.025 -5.214 1.00 23.32 H new ATOM 0 HD21 ASN A 8 -7.045 -4.153 -5.062 1.00 14.54 H new ATOM 0 HD22 ASN A 8 -6.098 -3.840 -3.603 1.00 14.54 H new ATOM 151 N THR A 9 -2.257 -5.883 -5.617 1.00 51.35 N ATOM 152 CA THR A 9 -1.827 -6.663 -6.778 1.00 2.43 C ATOM 153 C THR A 9 -2.740 -7.866 -6.989 1.00 43.42 C ATOM 154 O THR A 9 -3.292 -8.422 -6.026 1.00 55.43 O ATOM 155 CB THR A 9 -0.332 -7.118 -6.698 1.00 52.11 C ATOM 156 OG1 THR A 9 0.013 -7.899 -7.860 1.00 65.00 O ATOM 157 CG2 THR A 9 -0.020 -7.923 -5.447 1.00 51.55 C ATOM 0 H THR A 9 -2.413 -6.446 -4.781 1.00 51.35 H new ATOM 0 HA THR A 9 -1.904 -5.997 -7.638 1.00 2.43 H new ATOM 0 HB THR A 9 0.265 -6.207 -6.658 1.00 52.11 H new ATOM 0 HG1 THR A 9 -0.304 -7.442 -8.667 1.00 65.00 H new ATOM 0 HG21 THR A 9 1.032 -8.209 -5.451 1.00 51.55 H new ATOM 0 HG22 THR A 9 -0.229 -7.319 -4.564 1.00 51.55 H new ATOM 0 HG23 THR A 9 -0.639 -8.820 -5.428 1.00 51.55 H new ATOM 165 N ASN A 10 -2.909 -8.234 -8.263 1.00 13.32 N ATOM 166 CA ASN A 10 -3.677 -9.424 -8.664 1.00 21.01 C ATOM 167 C ASN A 10 -2.910 -10.727 -8.312 1.00 34.44 C ATOM 168 O ASN A 10 -3.528 -11.764 -8.063 1.00 41.54 O ATOM 169 CB ASN A 10 -3.983 -9.352 -10.183 1.00 62.02 C ATOM 170 CG ASN A 10 -4.897 -10.471 -10.711 1.00 35.41 C ATOM 171 OD1 ASN A 10 -5.742 -11.004 -9.986 1.00 34.11 O ATOM 172 ND2 ASN A 10 -4.750 -10.815 -11.983 1.00 75.40 N ATOM 0 H ASN A 10 -2.517 -7.716 -9.049 1.00 13.32 H new ATOM 0 HA ASN A 10 -4.617 -9.442 -8.113 1.00 21.01 H new ATOM 0 HB2 ASN A 10 -4.447 -8.390 -10.401 1.00 62.02 H new ATOM 0 HB3 ASN A 10 -3.041 -9.383 -10.731 1.00 62.02 H new ATOM 0 HD21 ASN A 10 -5.344 -11.538 -12.388 1.00 75.40 H new ATOM 0 HD22 ASN A 10 -4.043 -10.356 -12.557 1.00 75.40 H new ATOM 179 N ASN A 11 -1.565 -10.640 -8.231 1.00 53.42 N ATOM 180 CA ASN A 11 -0.671 -11.816 -8.086 1.00 1.10 C ATOM 181 C ASN A 11 -0.293 -12.060 -6.611 1.00 53.21 C ATOM 182 O ASN A 11 0.301 -11.185 -5.974 1.00 21.22 O ATOM 183 CB ASN A 11 0.634 -11.595 -8.904 1.00 74.33 C ATOM 184 CG ASN A 11 0.409 -11.159 -10.353 1.00 24.43 C ATOM 185 OD1 ASN A 11 -0.610 -11.470 -10.965 1.00 72.40 O ATOM 186 ND2 ASN A 11 1.372 -10.444 -10.912 1.00 65.34 N ATOM 0 H ASN A 11 -1.065 -9.752 -8.264 1.00 53.42 H new ATOM 0 HA ASN A 11 -1.211 -12.686 -8.459 1.00 1.10 H new ATOM 0 HB2 ASN A 11 1.240 -10.841 -8.401 1.00 74.33 H new ATOM 0 HB3 ASN A 11 1.210 -12.520 -8.902 1.00 74.33 H new ATOM 0 HD21 ASN A 11 1.281 -10.134 -11.879 1.00 65.34 H new ATOM 0 HD22 ASN A 11 2.205 -10.203 -10.375 1.00 65.34 H new ATOM 193 N ASP A 12 -0.609 -13.265 -6.095 1.00 5.35 N ATOM 194 CA ASP A 12 -0.191 -13.715 -4.743 1.00 43.33 C ATOM 195 C ASP A 12 1.323 -13.970 -4.695 1.00 24.44 C ATOM 196 O ASP A 12 1.968 -13.709 -3.673 1.00 62.22 O ATOM 197 CB ASP A 12 -0.941 -15.007 -4.328 1.00 1.35 C ATOM 198 CG ASP A 12 -2.445 -14.792 -4.134 1.00 24.52 C ATOM 199 OD1 ASP A 12 -3.191 -14.826 -5.136 1.00 61.13 O ATOM 200 OD2 ASP A 12 -2.887 -14.577 -2.985 1.00 23.40 O ATOM 0 H ASP A 12 -1.161 -13.957 -6.601 1.00 5.35 H new ATOM 0 HA ASP A 12 -0.443 -12.918 -4.043 1.00 43.33 H new ATOM 0 HB2 ASP A 12 -0.784 -15.771 -5.089 1.00 1.35 H new ATOM 0 HB3 ASP A 12 -0.512 -15.387 -3.401 1.00 1.35 H new ATOM 205 N GLU A 13 1.861 -14.484 -5.817 1.00 51.34 N ATOM 206 CA GLU A 13 3.303 -14.767 -5.982 1.00 75.23 C ATOM 207 C GLU A 13 4.145 -13.494 -5.751 1.00 63.30 C ATOM 208 O GLU A 13 5.159 -13.533 -5.047 1.00 1.31 O ATOM 209 CB GLU A 13 3.570 -15.358 -7.398 1.00 0.53 C ATOM 210 CG GLU A 13 3.092 -14.464 -8.556 1.00 33.30 C ATOM 211 CD GLU A 13 3.393 -15.034 -9.944 1.00 33.43 C ATOM 212 OE1 GLU A 13 2.571 -15.815 -10.469 1.00 5.43 O ATOM 213 OE2 GLU A 13 4.449 -14.692 -10.525 1.00 50.44 O ATOM 0 H GLU A 13 1.306 -14.717 -6.640 1.00 51.34 H new ATOM 0 HA GLU A 13 3.601 -15.502 -5.234 1.00 75.23 H new ATOM 0 HB2 GLU A 13 4.640 -15.536 -7.509 1.00 0.53 H new ATOM 0 HB3 GLU A 13 3.076 -16.327 -7.474 1.00 0.53 H new ATOM 0 HG2 GLU A 13 2.017 -14.309 -8.463 1.00 33.30 H new ATOM 0 HG3 GLU A 13 3.564 -13.486 -8.466 1.00 33.30 H new ATOM 220 N LEU A 14 3.661 -12.364 -6.305 1.00 73.22 N ATOM 221 CA LEU A 14 4.318 -11.053 -6.203 1.00 42.01 C ATOM 222 C LEU A 14 4.309 -10.547 -4.748 1.00 51.22 C ATOM 223 O LEU A 14 5.315 -10.013 -4.278 1.00 42.55 O ATOM 224 CB LEU A 14 3.617 -10.042 -7.147 1.00 53.35 C ATOM 225 CG LEU A 14 4.157 -8.576 -7.139 1.00 21.21 C ATOM 226 CD1 LEU A 14 5.663 -8.493 -7.480 1.00 34.32 C ATOM 227 CD2 LEU A 14 3.326 -7.687 -8.081 1.00 25.12 C ATOM 0 H LEU A 14 2.793 -12.340 -6.841 1.00 73.22 H new ATOM 0 HA LEU A 14 5.359 -11.155 -6.509 1.00 42.01 H new ATOM 0 HB2 LEU A 14 3.687 -10.424 -8.165 1.00 53.35 H new ATOM 0 HB3 LEU A 14 2.558 -10.015 -6.889 1.00 53.35 H new ATOM 0 HG LEU A 14 4.050 -8.203 -6.121 1.00 21.21 H new ATOM 0 HD11 LEU A 14 5.984 -7.451 -7.460 1.00 34.32 H new ATOM 0 HD12 LEU A 14 6.234 -9.063 -6.747 1.00 34.32 H new ATOM 0 HD13 LEU A 14 5.834 -8.906 -8.474 1.00 34.32 H new ATOM 0 HD21 LEU A 14 3.718 -6.670 -8.061 1.00 25.12 H new ATOM 0 HD22 LEU A 14 3.384 -8.079 -9.096 1.00 25.12 H new ATOM 0 HD23 LEU A 14 2.286 -7.682 -7.753 1.00 25.12 H new ATOM 239 N ILE A 15 3.172 -10.758 -4.046 1.00 51.23 N ATOM 240 CA ILE A 15 2.993 -10.365 -2.628 1.00 10.52 C ATOM 241 C ILE A 15 4.092 -10.974 -1.749 1.00 53.22 C ATOM 242 O ILE A 15 4.766 -10.255 -1.012 1.00 63.44 O ATOM 243 CB ILE A 15 1.577 -10.811 -2.081 1.00 63.12 C ATOM 244 CG1 ILE A 15 0.453 -10.116 -2.903 1.00 64.34 C ATOM 245 CG2 ILE A 15 1.431 -10.529 -0.562 1.00 51.21 C ATOM 246 CD1 ILE A 15 -0.959 -10.592 -2.635 1.00 50.43 C ATOM 0 H ILE A 15 2.349 -11.207 -4.448 1.00 51.23 H new ATOM 0 HA ILE A 15 3.059 -9.278 -2.585 1.00 10.52 H new ATOM 0 HB ILE A 15 1.484 -11.890 -2.205 1.00 63.12 H new ATOM 0 HG12 ILE A 15 0.497 -9.045 -2.707 1.00 64.34 H new ATOM 0 HG13 ILE A 15 0.667 -10.255 -3.963 1.00 64.34 H new ATOM 0 HG21 ILE A 15 0.445 -10.849 -0.226 1.00 51.21 H new ATOM 0 HG22 ILE A 15 2.197 -11.078 -0.015 1.00 51.21 H new ATOM 0 HG23 ILE A 15 1.548 -9.461 -0.377 1.00 51.21 H new ATOM 0 HD11 ILE A 15 -1.655 -10.037 -3.264 1.00 50.43 H new ATOM 0 HD12 ILE A 15 -1.034 -11.656 -2.862 1.00 50.43 H new ATOM 0 HD13 ILE A 15 -1.206 -10.426 -1.586 1.00 50.43 H new ATOM 258 N LYS A 16 4.292 -12.293 -1.900 1.00 71.04 N ATOM 259 CA LYS A 16 5.254 -13.075 -1.092 1.00 11.52 C ATOM 260 C LYS A 16 6.699 -12.544 -1.252 1.00 2.11 C ATOM 261 O LYS A 16 7.508 -12.611 -0.319 1.00 34.03 O ATOM 262 CB LYS A 16 5.181 -14.568 -1.507 1.00 35.34 C ATOM 263 CG LYS A 16 3.768 -15.195 -1.422 1.00 3.44 C ATOM 264 CD LYS A 16 3.203 -15.287 0.013 1.00 12.01 C ATOM 265 CE LYS A 16 4.008 -16.243 0.906 1.00 62.13 C ATOM 266 NZ LYS A 16 3.433 -16.351 2.275 1.00 51.32 N ATOM 0 H LYS A 16 3.790 -12.854 -2.589 1.00 71.04 H new ATOM 0 HA LYS A 16 4.983 -12.971 -0.041 1.00 11.52 H new ATOM 0 HB2 LYS A 16 5.546 -14.665 -2.530 1.00 35.34 H new ATOM 0 HB3 LYS A 16 5.857 -15.141 -0.872 1.00 35.34 H new ATOM 0 HG2 LYS A 16 3.084 -14.606 -2.033 1.00 3.44 H new ATOM 0 HG3 LYS A 16 3.800 -16.196 -1.853 1.00 3.44 H new ATOM 0 HD2 LYS A 16 3.199 -14.294 0.462 1.00 12.01 H new ATOM 0 HD3 LYS A 16 2.167 -15.622 -0.030 1.00 12.01 H new ATOM 0 HE2 LYS A 16 4.035 -17.231 0.446 1.00 62.13 H new ATOM 0 HE3 LYS A 16 5.038 -15.894 0.973 1.00 62.13 H new ATOM 0 HZ1 LYS A 16 4.008 -17.006 2.842 1.00 51.32 H new ATOM 0 HZ2 LYS A 16 3.430 -15.414 2.725 1.00 51.32 H new ATOM 0 HZ3 LYS A 16 2.458 -16.709 2.215 1.00 51.32 H new ATOM 280 N LYS A 17 6.984 -12.002 -2.443 1.00 23.54 N ATOM 281 CA LYS A 17 8.308 -11.465 -2.802 1.00 32.41 C ATOM 282 C LYS A 17 8.488 -10.036 -2.250 1.00 32.34 C ATOM 283 O LYS A 17 9.552 -9.710 -1.708 1.00 54.23 O ATOM 284 CB LYS A 17 8.455 -11.506 -4.339 1.00 25.52 C ATOM 285 CG LYS A 17 8.278 -12.928 -4.922 1.00 11.31 C ATOM 286 CD LYS A 17 8.234 -12.957 -6.463 1.00 14.24 C ATOM 287 CE LYS A 17 9.536 -12.476 -7.104 1.00 12.41 C ATOM 288 NZ LYS A 17 9.487 -12.589 -8.578 1.00 22.13 N ATOM 0 H LYS A 17 6.297 -11.922 -3.193 1.00 23.54 H new ATOM 0 HA LYS A 17 9.091 -12.076 -2.353 1.00 32.41 H new ATOM 0 HB2 LYS A 17 7.718 -10.840 -4.788 1.00 25.52 H new ATOM 0 HB3 LYS A 17 9.438 -11.125 -4.615 1.00 25.52 H new ATOM 0 HG2 LYS A 17 9.098 -13.559 -4.577 1.00 11.31 H new ATOM 0 HG3 LYS A 17 7.357 -13.361 -4.531 1.00 11.31 H new ATOM 0 HD2 LYS A 17 8.024 -13.973 -6.796 1.00 14.24 H new ATOM 0 HD3 LYS A 17 7.411 -12.332 -6.810 1.00 14.24 H new ATOM 0 HE2 LYS A 17 9.720 -11.439 -6.823 1.00 12.41 H new ATOM 0 HE3 LYS A 17 10.371 -13.063 -6.720 1.00 12.41 H new ATOM 0 HZ1 LYS A 17 10.369 -13.018 -8.923 1.00 22.13 H new ATOM 0 HZ2 LYS A 17 8.681 -13.185 -8.854 1.00 22.13 H new ATOM 0 HZ3 LYS A 17 9.377 -11.643 -8.995 1.00 22.13 H new ATOM 302 N ILE A 18 7.421 -9.211 -2.374 1.00 73.31 N ATOM 303 CA ILE A 18 7.378 -7.834 -1.831 1.00 44.32 C ATOM 304 C ILE A 18 7.518 -7.871 -0.298 1.00 1.12 C ATOM 305 O ILE A 18 8.135 -6.981 0.298 1.00 50.24 O ATOM 306 CB ILE A 18 6.045 -7.078 -2.245 1.00 23.25 C ATOM 307 CG1 ILE A 18 5.988 -6.885 -3.797 1.00 63.42 C ATOM 308 CG2 ILE A 18 5.895 -5.716 -1.516 1.00 51.14 C ATOM 309 CD1 ILE A 18 4.764 -6.149 -4.317 1.00 33.52 C ATOM 0 H ILE A 18 6.564 -9.484 -2.855 1.00 73.31 H new ATOM 0 HA ILE A 18 8.214 -7.280 -2.258 1.00 44.32 H new ATOM 0 HB ILE A 18 5.206 -7.701 -1.935 1.00 23.25 H new ATOM 0 HG12 ILE A 18 6.879 -6.341 -4.112 1.00 63.42 H new ATOM 0 HG13 ILE A 18 6.029 -7.866 -4.270 1.00 63.42 H new ATOM 0 HG21 ILE A 18 4.969 -5.235 -1.831 1.00 51.14 H new ATOM 0 HG22 ILE A 18 5.871 -5.881 -0.439 1.00 51.14 H new ATOM 0 HG23 ILE A 18 6.740 -5.075 -1.766 1.00 51.14 H new ATOM 0 HD11 ILE A 18 4.822 -6.068 -5.402 1.00 33.52 H new ATOM 0 HD12 ILE A 18 3.864 -6.699 -4.041 1.00 33.52 H new ATOM 0 HD13 ILE A 18 4.727 -5.151 -3.881 1.00 33.52 H new ATOM 321 N LYS A 19 6.968 -8.935 0.321 1.00 44.41 N ATOM 322 CA LYS A 19 7.099 -9.183 1.761 1.00 74.35 C ATOM 323 C LYS A 19 8.579 -9.276 2.155 1.00 62.11 C ATOM 324 O LYS A 19 9.040 -8.537 3.012 1.00 64.54 O ATOM 325 CB LYS A 19 6.359 -10.480 2.175 1.00 34.14 C ATOM 326 CG LYS A 19 4.819 -10.399 2.118 1.00 10.32 C ATOM 327 CD LYS A 19 4.116 -11.722 2.527 1.00 51.53 C ATOM 328 CE LYS A 19 4.212 -12.050 4.036 1.00 60.01 C ATOM 329 NZ LYS A 19 5.600 -12.289 4.524 1.00 25.31 N ATOM 0 H LYS A 19 6.421 -9.644 -0.168 1.00 44.41 H new ATOM 0 HA LYS A 19 6.642 -8.345 2.287 1.00 74.35 H new ATOM 0 HB2 LYS A 19 6.689 -11.292 1.527 1.00 34.14 H new ATOM 0 HB3 LYS A 19 6.657 -10.742 3.190 1.00 34.14 H new ATOM 0 HG2 LYS A 19 4.480 -9.598 2.775 1.00 10.32 H new ATOM 0 HG3 LYS A 19 4.514 -10.132 1.106 1.00 10.32 H new ATOM 0 HD2 LYS A 19 3.065 -11.664 2.245 1.00 51.53 H new ATOM 0 HD3 LYS A 19 4.553 -12.543 1.959 1.00 51.53 H new ATOM 0 HE2 LYS A 19 3.776 -11.227 4.603 1.00 60.01 H new ATOM 0 HE3 LYS A 19 3.609 -12.934 4.243 1.00 60.01 H new ATOM 0 HZ1 LYS A 19 5.592 -13.045 5.238 1.00 25.31 H new ATOM 0 HZ2 LYS A 19 6.204 -12.573 3.727 1.00 25.31 H new ATOM 0 HZ3 LYS A 19 5.974 -11.416 4.948 1.00 25.31 H new ATOM 343 N LYS A 20 9.332 -10.151 1.466 1.00 14.53 N ATOM 344 CA LYS A 20 10.753 -10.387 1.790 1.00 20.22 C ATOM 345 C LYS A 20 11.636 -9.177 1.446 1.00 20.33 C ATOM 346 O LYS A 20 12.712 -9.015 2.033 1.00 41.32 O ATOM 347 CB LYS A 20 11.272 -11.689 1.120 1.00 54.11 C ATOM 348 CG LYS A 20 10.529 -12.961 1.591 1.00 3.12 C ATOM 349 CD LYS A 20 10.523 -13.116 3.132 1.00 55.04 C ATOM 350 CE LYS A 20 9.658 -14.283 3.629 1.00 4.41 C ATOM 351 NZ LYS A 20 9.480 -14.229 5.106 1.00 63.01 N ATOM 0 H LYS A 20 8.984 -10.705 0.684 1.00 14.53 H new ATOM 0 HA LYS A 20 10.819 -10.522 2.870 1.00 20.22 H new ATOM 0 HB2 LYS A 20 11.171 -11.598 0.039 1.00 54.11 H new ATOM 0 HB3 LYS A 20 12.335 -11.799 1.332 1.00 54.11 H new ATOM 0 HG2 LYS A 20 9.501 -12.931 1.229 1.00 3.12 H new ATOM 0 HG3 LYS A 20 10.999 -13.837 1.144 1.00 3.12 H new ATOM 0 HD2 LYS A 20 11.546 -13.260 3.478 1.00 55.04 H new ATOM 0 HD3 LYS A 20 10.162 -12.190 3.580 1.00 55.04 H new ATOM 0 HE2 LYS A 20 8.684 -14.251 3.141 1.00 4.41 H new ATOM 0 HE3 LYS A 20 10.123 -15.229 3.350 1.00 4.41 H new ATOM 0 HZ1 LYS A 20 8.482 -14.404 5.342 1.00 63.01 H new ATOM 0 HZ2 LYS A 20 10.075 -14.955 5.554 1.00 63.01 H new ATOM 0 HZ3 LYS A 20 9.758 -13.290 5.455 1.00 63.01 H new ATOM 365 N GLU A 21 11.172 -8.321 0.515 1.00 65.01 N ATOM 366 CA GLU A 21 11.809 -7.015 0.274 1.00 21.24 C ATOM 367 C GLU A 21 11.679 -6.142 1.538 1.00 1.43 C ATOM 368 O GLU A 21 12.687 -5.812 2.175 1.00 32.44 O ATOM 369 CB GLU A 21 11.167 -6.290 -0.945 1.00 55.31 C ATOM 370 CG GLU A 21 11.331 -7.017 -2.292 1.00 63.20 C ATOM 371 CD GLU A 21 12.799 -7.311 -2.643 1.00 1.13 C ATOM 372 OE1 GLU A 21 13.534 -6.370 -3.012 1.00 50.50 O ATOM 373 OE2 GLU A 21 13.225 -8.491 -2.559 1.00 65.31 O ATOM 0 H GLU A 21 10.364 -8.510 -0.078 1.00 65.01 H new ATOM 0 HA GLU A 21 12.862 -7.180 0.047 1.00 21.24 H new ATOM 0 HB2 GLU A 21 10.103 -6.154 -0.749 1.00 55.31 H new ATOM 0 HB3 GLU A 21 11.605 -5.296 -1.030 1.00 55.31 H new ATOM 0 HG2 GLU A 21 10.776 -7.955 -2.262 1.00 63.20 H new ATOM 0 HG3 GLU A 21 10.889 -6.410 -3.082 1.00 63.20 H new ATOM 380 N VAL A 22 10.421 -5.918 1.965 1.00 30.21 N ATOM 381 CA VAL A 22 10.097 -4.940 3.020 1.00 34.44 C ATOM 382 C VAL A 22 10.559 -5.409 4.412 1.00 61.55 C ATOM 383 O VAL A 22 10.872 -4.581 5.262 1.00 25.23 O ATOM 384 CB VAL A 22 8.564 -4.592 3.054 1.00 52.23 C ATOM 385 CG1 VAL A 22 8.067 -4.115 1.678 1.00 62.22 C ATOM 386 CG2 VAL A 22 7.714 -5.762 3.585 1.00 5.14 C ATOM 0 H VAL A 22 9.607 -6.406 1.591 1.00 30.21 H new ATOM 0 HA VAL A 22 10.649 -4.035 2.765 1.00 34.44 H new ATOM 0 HB VAL A 22 8.441 -3.767 3.756 1.00 52.23 H new ATOM 0 HG11 VAL A 22 7.004 -3.883 1.736 1.00 62.22 H new ATOM 0 HG12 VAL A 22 8.618 -3.222 1.382 1.00 62.22 H new ATOM 0 HG13 VAL A 22 8.227 -4.902 0.941 1.00 62.22 H new ATOM 0 HG21 VAL A 22 6.663 -5.475 3.590 1.00 5.14 H new ATOM 0 HG22 VAL A 22 7.850 -6.631 2.942 1.00 5.14 H new ATOM 0 HG23 VAL A 22 8.028 -6.009 4.599 1.00 5.14 H new ATOM 396 N GLU A 23 10.620 -6.740 4.620 1.00 62.22 N ATOM 397 CA GLU A 23 11.061 -7.348 5.895 1.00 52.03 C ATOM 398 C GLU A 23 12.536 -7.008 6.166 1.00 73.51 C ATOM 399 O GLU A 23 12.909 -6.651 7.289 1.00 74.11 O ATOM 400 CB GLU A 23 10.820 -8.891 5.877 1.00 31.40 C ATOM 401 CG GLU A 23 9.330 -9.307 5.997 1.00 70.53 C ATOM 402 CD GLU A 23 9.082 -10.817 5.794 1.00 71.42 C ATOM 403 OE1 GLU A 23 9.723 -11.632 6.489 1.00 61.33 O ATOM 404 OE2 GLU A 23 8.223 -11.199 4.961 1.00 70.30 O ATOM 0 H GLU A 23 10.365 -7.425 3.909 1.00 62.22 H new ATOM 0 HA GLU A 23 10.468 -6.932 6.710 1.00 52.03 H new ATOM 0 HB2 GLU A 23 11.225 -9.299 4.951 1.00 31.40 H new ATOM 0 HB3 GLU A 23 11.378 -9.344 6.696 1.00 31.40 H new ATOM 0 HG2 GLU A 23 8.961 -9.018 6.981 1.00 70.53 H new ATOM 0 HG3 GLU A 23 8.748 -8.751 5.262 1.00 70.53 H new ATOM 411 N ASN A 24 13.362 -7.069 5.110 1.00 52.03 N ATOM 412 CA ASN A 24 14.787 -6.677 5.192 1.00 1.51 C ATOM 413 C ASN A 24 14.961 -5.144 5.159 1.00 61.40 C ATOM 414 O ASN A 24 16.053 -4.645 5.432 1.00 3.14 O ATOM 415 CB ASN A 24 15.625 -7.350 4.072 1.00 24.21 C ATOM 416 CG ASN A 24 15.827 -8.853 4.303 1.00 10.14 C ATOM 417 OD1 ASN A 24 16.728 -9.264 5.037 1.00 63.53 O ATOM 418 ND2 ASN A 24 15.023 -9.683 3.663 1.00 70.21 N ATOM 0 H ASN A 24 13.071 -7.386 4.185 1.00 52.03 H new ATOM 0 HA ASN A 24 15.160 -7.032 6.153 1.00 1.51 H new ATOM 0 HB2 ASN A 24 15.130 -7.198 3.113 1.00 24.21 H new ATOM 0 HB3 ASN A 24 16.598 -6.863 4.010 1.00 24.21 H new ATOM 0 HD21 ASN A 24 15.140 -10.691 3.770 1.00 70.21 H new ATOM 0 HD22 ASN A 24 14.285 -9.316 3.062 1.00 70.21 H new ATOM 425 N GLN A 25 13.885 -4.403 4.808 1.00 41.14 N ATOM 426 CA GLN A 25 13.869 -2.919 4.871 1.00 73.01 C ATOM 427 C GLN A 25 13.359 -2.425 6.246 1.00 15.43 C ATOM 428 O GLN A 25 13.474 -1.237 6.553 1.00 0.10 O ATOM 429 CB GLN A 25 12.994 -2.318 3.734 1.00 33.10 C ATOM 430 CG GLN A 25 13.366 -2.774 2.306 1.00 23.44 C ATOM 431 CD GLN A 25 14.818 -2.498 1.911 1.00 4.43 C ATOM 432 OE1 GLN A 25 15.136 -1.441 1.370 1.00 43.12 O ATOM 433 NE2 GLN A 25 15.701 -3.451 2.157 1.00 14.22 N ATOM 0 H GLN A 25 13.010 -4.810 4.476 1.00 41.14 H new ATOM 0 HA GLN A 25 14.895 -2.577 4.737 1.00 73.01 H new ATOM 0 HB2 GLN A 25 11.953 -2.580 3.922 1.00 33.10 H new ATOM 0 HB3 GLN A 25 13.063 -1.231 3.780 1.00 33.10 H new ATOM 0 HG2 GLN A 25 13.176 -3.844 2.219 1.00 23.44 H new ATOM 0 HG3 GLN A 25 12.708 -2.274 1.595 1.00 23.44 H new ATOM 0 HE21 GLN A 25 15.405 -4.317 2.608 1.00 14.22 H new ATOM 0 HE22 GLN A 25 16.678 -3.320 1.896 1.00 14.22 H new ATOM 442 N GLY A 26 12.783 -3.345 7.054 1.00 34.33 N ATOM 443 CA GLY A 26 12.320 -3.026 8.415 1.00 23.34 C ATOM 444 C GLY A 26 10.830 -2.689 8.493 1.00 11.13 C ATOM 445 O GLY A 26 10.433 -1.791 9.241 1.00 21.34 O ATOM 0 H GLY A 26 12.630 -4.316 6.781 1.00 34.33 H new ATOM 0 HA2 GLY A 26 12.527 -3.874 9.068 1.00 23.34 H new ATOM 0 HA3 GLY A 26 12.895 -2.182 8.797 1.00 23.34 H new ATOM 449 N TYR A 27 10.005 -3.395 7.699 1.00 33.34 N ATOM 450 CA TYR A 27 8.528 -3.262 7.717 1.00 50.01 C ATOM 451 C TYR A 27 7.901 -4.542 8.272 1.00 50.14 C ATOM 452 O TYR A 27 8.319 -5.649 7.911 1.00 44.33 O ATOM 453 CB TYR A 27 7.943 -3.017 6.294 1.00 4.14 C ATOM 454 CG TYR A 27 8.292 -1.667 5.659 1.00 42.23 C ATOM 455 CD1 TYR A 27 9.607 -1.351 5.323 1.00 73.44 C ATOM 456 CD2 TYR A 27 7.306 -0.708 5.392 1.00 73.02 C ATOM 457 CE1 TYR A 27 9.928 -0.141 4.759 1.00 33.42 C ATOM 458 CE2 TYR A 27 7.628 0.508 4.825 1.00 53.51 C ATOM 459 CZ TYR A 27 8.941 0.789 4.508 1.00 44.11 C ATOM 460 OH TYR A 27 9.271 2.003 3.944 1.00 20.11 O ATOM 0 H TYR A 27 10.341 -4.079 7.021 1.00 33.34 H new ATOM 0 HA TYR A 27 8.293 -2.403 8.345 1.00 50.01 H new ATOM 0 HB2 TYR A 27 8.295 -3.810 5.634 1.00 4.14 H new ATOM 0 HB3 TYR A 27 6.858 -3.104 6.347 1.00 4.14 H new ATOM 0 HD1 TYR A 27 10.389 -2.072 5.510 1.00 73.44 H new ATOM 0 HD2 TYR A 27 6.276 -0.924 5.634 1.00 73.02 H new ATOM 0 HE1 TYR A 27 10.955 0.083 4.512 1.00 33.42 H new ATOM 0 HE2 TYR A 27 6.855 1.237 4.630 1.00 53.51 H new ATOM 0 HH TYR A 27 9.848 1.856 3.166 1.00 20.11 H new ATOM 470 N GLN A 28 6.898 -4.379 9.140 1.00 62.10 N ATOM 471 CA GLN A 28 6.021 -5.469 9.574 1.00 52.32 C ATOM 472 C GLN A 28 4.930 -5.660 8.527 1.00 30.31 C ATOM 473 O GLN A 28 4.400 -4.685 8.008 1.00 43.33 O ATOM 474 CB GLN A 28 5.403 -5.184 10.970 1.00 50.52 C ATOM 475 CG GLN A 28 6.393 -5.280 12.158 1.00 23.04 C ATOM 476 CD GLN A 28 7.256 -4.026 12.409 1.00 73.11 C ATOM 477 OE1 GLN A 28 7.599 -3.282 11.496 1.00 42.43 O ATOM 478 NE2 GLN A 28 7.645 -3.802 13.657 1.00 20.40 N ATOM 0 H GLN A 28 6.671 -3.480 9.564 1.00 62.10 H new ATOM 0 HA GLN A 28 6.608 -6.383 9.670 1.00 52.32 H new ATOM 0 HB2 GLN A 28 4.967 -4.185 10.960 1.00 50.52 H new ATOM 0 HB3 GLN A 28 4.587 -5.886 11.139 1.00 50.52 H new ATOM 0 HG2 GLN A 28 5.826 -5.496 13.064 1.00 23.04 H new ATOM 0 HG3 GLN A 28 7.057 -6.128 11.987 1.00 23.04 H new ATOM 0 HE21 GLN A 28 7.350 -4.431 14.404 1.00 20.40 H new ATOM 0 HE22 GLN A 28 8.239 -3.001 13.870 1.00 20.40 H new ATOM 487 N VAL A 29 4.602 -6.907 8.206 1.00 12.22 N ATOM 488 CA VAL A 29 3.638 -7.213 7.136 1.00 61.52 C ATOM 489 C VAL A 29 2.267 -7.535 7.744 1.00 24.41 C ATOM 490 O VAL A 29 2.151 -8.427 8.590 1.00 73.15 O ATOM 491 CB VAL A 29 4.112 -8.403 6.216 1.00 74.11 C ATOM 492 CG1 VAL A 29 3.122 -8.611 5.040 1.00 31.12 C ATOM 493 CG2 VAL A 29 5.557 -8.171 5.703 1.00 71.42 C ATOM 0 H VAL A 29 4.987 -7.730 8.669 1.00 12.22 H new ATOM 0 HA VAL A 29 3.566 -6.328 6.504 1.00 61.52 H new ATOM 0 HB VAL A 29 4.120 -9.314 6.814 1.00 74.11 H new ATOM 0 HG11 VAL A 29 3.466 -9.436 4.416 1.00 31.12 H new ATOM 0 HG12 VAL A 29 2.132 -8.842 5.434 1.00 31.12 H new ATOM 0 HG13 VAL A 29 3.071 -7.701 4.442 1.00 31.12 H new ATOM 0 HG21 VAL A 29 5.857 -9.007 5.071 1.00 71.42 H new ATOM 0 HG22 VAL A 29 5.594 -7.248 5.125 1.00 71.42 H new ATOM 0 HG23 VAL A 29 6.237 -8.095 6.552 1.00 71.42 H new ATOM 503 N ARG A 30 1.252 -6.764 7.348 1.00 74.50 N ATOM 504 CA ARG A 30 -0.153 -7.044 7.642 1.00 23.34 C ATOM 505 C ARG A 30 -0.875 -7.420 6.346 1.00 61.41 C ATOM 506 O ARG A 30 -1.008 -6.590 5.451 1.00 43.14 O ATOM 507 CB ARG A 30 -0.828 -5.802 8.292 1.00 14.14 C ATOM 508 CG ARG A 30 -2.371 -5.873 8.444 1.00 33.45 C ATOM 509 CD ARG A 30 -2.880 -6.891 9.492 1.00 31.23 C ATOM 510 NE ARG A 30 -2.565 -8.298 9.161 1.00 64.13 N ATOM 511 CZ ARG A 30 -1.875 -9.142 9.948 1.00 73.40 C ATOM 512 NH1 ARG A 30 -1.412 -8.747 11.136 1.00 13.53 N ATOM 513 NH2 ARG A 30 -1.609 -10.362 9.525 1.00 1.54 N ATOM 0 H ARG A 30 1.387 -5.912 6.804 1.00 74.50 H new ATOM 0 HA ARG A 30 -0.214 -7.875 8.345 1.00 23.34 H new ATOM 0 HB2 ARG A 30 -0.391 -5.650 9.279 1.00 14.14 H new ATOM 0 HB3 ARG A 30 -0.581 -4.924 7.695 1.00 14.14 H new ATOM 0 HG2 ARG A 30 -2.740 -4.883 8.712 1.00 33.45 H new ATOM 0 HG3 ARG A 30 -2.805 -6.124 7.476 1.00 33.45 H new ATOM 0 HD2 ARG A 30 -2.444 -6.649 10.461 1.00 31.23 H new ATOM 0 HD3 ARG A 30 -3.960 -6.785 9.593 1.00 31.23 H new ATOM 0 HE ARG A 30 -2.897 -8.656 8.266 1.00 64.13 H new ATOM 0 HH11 ARG A 30 -1.580 -7.794 11.458 1.00 13.53 H new ATOM 0 HH12 ARG A 30 -0.890 -9.398 11.722 1.00 13.53 H new ATOM 0 HH21 ARG A 30 -1.926 -10.663 8.603 1.00 1.54 H new ATOM 0 HH22 ARG A 30 -1.086 -11.005 10.119 1.00 1.54 H new ATOM 527 N ASP A 31 -1.312 -8.677 6.239 1.00 4.50 N ATOM 528 CA ASP A 31 -2.198 -9.125 5.160 1.00 22.33 C ATOM 529 C ASP A 31 -3.663 -8.965 5.620 1.00 12.14 C ATOM 530 O ASP A 31 -4.082 -9.584 6.610 1.00 0.12 O ATOM 531 CB ASP A 31 -1.868 -10.590 4.738 1.00 34.41 C ATOM 532 CG ASP A 31 -2.046 -11.631 5.860 1.00 43.13 C ATOM 533 OD1 ASP A 31 -1.311 -11.552 6.874 1.00 11.11 O ATOM 534 OD2 ASP A 31 -2.921 -12.514 5.748 1.00 53.01 O ATOM 0 H ASP A 31 -1.062 -9.414 6.898 1.00 4.50 H new ATOM 0 HA ASP A 31 -2.043 -8.510 4.274 1.00 22.33 H new ATOM 0 HB2 ASP A 31 -2.506 -10.866 3.898 1.00 34.41 H new ATOM 0 HB3 ASP A 31 -0.838 -10.630 4.382 1.00 34.41 H new ATOM 539 N VAL A 32 -4.404 -8.068 4.949 1.00 23.22 N ATOM 540 CA VAL A 32 -5.836 -7.863 5.204 1.00 3.11 C ATOM 541 C VAL A 32 -6.624 -8.943 4.442 1.00 71.42 C ATOM 542 O VAL A 32 -6.644 -8.948 3.204 1.00 52.22 O ATOM 543 CB VAL A 32 -6.327 -6.431 4.759 1.00 65.43 C ATOM 544 CG1 VAL A 32 -7.770 -6.152 5.244 1.00 61.21 C ATOM 545 CG2 VAL A 32 -5.364 -5.330 5.239 1.00 34.04 C ATOM 0 H VAL A 32 -4.027 -7.467 4.217 1.00 23.22 H new ATOM 0 HA VAL A 32 -6.007 -7.938 6.278 1.00 3.11 H new ATOM 0 HB VAL A 32 -6.332 -6.416 3.669 1.00 65.43 H new ATOM 0 HG11 VAL A 32 -8.077 -5.157 4.920 1.00 61.21 H new ATOM 0 HG12 VAL A 32 -8.446 -6.896 4.822 1.00 61.21 H new ATOM 0 HG13 VAL A 32 -7.805 -6.206 6.332 1.00 61.21 H new ATOM 0 HG21 VAL A 32 -5.733 -4.357 4.915 1.00 34.04 H new ATOM 0 HG22 VAL A 32 -5.301 -5.350 6.327 1.00 34.04 H new ATOM 0 HG23 VAL A 32 -4.374 -5.502 4.815 1.00 34.04 H new ATOM 555 N ASN A 33 -7.228 -9.868 5.195 1.00 1.41 N ATOM 556 CA ASN A 33 -8.042 -10.969 4.640 1.00 1.33 C ATOM 557 C ASN A 33 -9.502 -10.532 4.465 1.00 13.03 C ATOM 558 O ASN A 33 -10.183 -10.933 3.509 1.00 11.15 O ATOM 559 CB ASN A 33 -7.984 -12.209 5.581 1.00 70.14 C ATOM 560 CG ASN A 33 -6.590 -12.836 5.685 1.00 54.12 C ATOM 561 OD1 ASN A 33 -6.246 -13.754 4.939 1.00 11.01 O ATOM 562 ND2 ASN A 33 -5.772 -12.339 6.595 1.00 72.14 N ATOM 0 H ASN A 33 -7.169 -9.879 6.213 1.00 1.41 H new ATOM 0 HA ASN A 33 -7.632 -11.233 3.665 1.00 1.33 H new ATOM 0 HB2 ASN A 33 -8.316 -11.915 6.577 1.00 70.14 H new ATOM 0 HB3 ASN A 33 -8.686 -12.961 5.220 1.00 70.14 H new ATOM 0 HD21 ASN A 33 -4.829 -12.715 6.693 1.00 72.14 H new ATOM 0 HD22 ASN A 33 -6.083 -11.579 7.200 1.00 72.14 H new ATOM 569 N ASP A 34 -9.966 -9.681 5.384 1.00 60.13 N ATOM 570 CA ASP A 34 -11.400 -9.428 5.589 1.00 54.25 C ATOM 571 C ASP A 34 -11.629 -7.997 6.119 1.00 13.53 C ATOM 572 O ASP A 34 -10.675 -7.305 6.476 1.00 44.44 O ATOM 573 CB ASP A 34 -11.947 -10.511 6.572 1.00 53.40 C ATOM 574 CG ASP A 34 -13.456 -10.424 6.839 1.00 34.14 C ATOM 575 OD1 ASP A 34 -14.245 -10.605 5.897 1.00 75.10 O ATOM 576 OD2 ASP A 34 -13.848 -10.134 7.978 1.00 13.55 O ATOM 0 H ASP A 34 -9.361 -9.147 6.008 1.00 60.13 H new ATOM 0 HA ASP A 34 -11.940 -9.498 4.645 1.00 54.25 H new ATOM 0 HB2 ASP A 34 -11.718 -11.498 6.169 1.00 53.40 H new ATOM 0 HB3 ASP A 34 -11.417 -10.423 7.521 1.00 53.40 H new ATOM 581 N SER A 35 -12.903 -7.553 6.130 1.00 51.14 N ATOM 582 CA SER A 35 -13.300 -6.235 6.662 1.00 42.11 C ATOM 583 C SER A 35 -13.032 -6.129 8.183 1.00 22.31 C ATOM 584 O SER A 35 -12.757 -5.035 8.684 1.00 34.32 O ATOM 585 CB SER A 35 -14.784 -5.963 6.349 1.00 11.22 C ATOM 586 OG SER A 35 -15.156 -4.629 6.669 1.00 60.01 O ATOM 0 H SER A 35 -13.685 -8.100 5.770 1.00 51.14 H new ATOM 0 HA SER A 35 -12.690 -5.476 6.172 1.00 42.11 H new ATOM 0 HB2 SER A 35 -14.972 -6.149 5.292 1.00 11.22 H new ATOM 0 HB3 SER A 35 -15.407 -6.659 6.911 1.00 11.22 H new ATOM 0 HG SER A 35 -16.103 -4.493 6.456 1.00 60.01 H new ATOM 592 N ASP A 36 -13.119 -7.278 8.895 1.00 43.05 N ATOM 593 CA ASP A 36 -12.757 -7.382 10.330 1.00 72.13 C ATOM 594 C ASP A 36 -11.273 -7.054 10.533 1.00 32.44 C ATOM 595 O ASP A 36 -10.932 -6.249 11.406 1.00 10.21 O ATOM 596 CB ASP A 36 -13.091 -8.793 10.893 1.00 52.32 C ATOM 597 CG ASP A 36 -12.535 -9.039 12.312 1.00 72.11 C ATOM 598 OD1 ASP A 36 -13.008 -8.392 13.269 1.00 42.21 O ATOM 599 OD2 ASP A 36 -11.614 -9.869 12.473 1.00 22.52 O ATOM 0 H ASP A 36 -13.442 -8.158 8.492 1.00 43.05 H new ATOM 0 HA ASP A 36 -13.352 -6.654 10.882 1.00 72.13 H new ATOM 0 HB2 ASP A 36 -14.173 -8.922 10.908 1.00 52.32 H new ATOM 0 HB3 ASP A 36 -12.689 -9.549 10.218 1.00 52.32 H new ATOM 604 N GLU A 37 -10.418 -7.660 9.687 1.00 4.31 N ATOM 605 CA GLU A 37 -8.969 -7.386 9.659 1.00 54.31 C ATOM 606 C GLU A 37 -8.723 -5.880 9.503 1.00 32.25 C ATOM 607 O GLU A 37 -8.007 -5.266 10.305 1.00 2.54 O ATOM 608 CB GLU A 37 -8.318 -8.137 8.473 1.00 32.44 C ATOM 609 CG GLU A 37 -8.435 -9.668 8.522 1.00 54.52 C ATOM 610 CD GLU A 37 -7.447 -10.321 9.494 1.00 12.10 C ATOM 611 OE1 GLU A 37 -6.293 -10.570 9.089 1.00 61.00 O ATOM 612 OE2 GLU A 37 -7.813 -10.587 10.659 1.00 40.33 O ATOM 0 H GLU A 37 -10.714 -8.355 9.002 1.00 4.31 H new ATOM 0 HA GLU A 37 -8.527 -7.728 10.595 1.00 54.31 H new ATOM 0 HB2 GLU A 37 -8.772 -7.784 7.547 1.00 32.44 H new ATOM 0 HB3 GLU A 37 -7.262 -7.871 8.432 1.00 32.44 H new ATOM 0 HG2 GLU A 37 -9.451 -9.939 8.811 1.00 54.52 H new ATOM 0 HG3 GLU A 37 -8.270 -10.070 7.522 1.00 54.52 H new ATOM 619 N LEU A 38 -9.414 -5.313 8.496 1.00 63.45 N ATOM 620 CA LEU A 38 -9.302 -3.914 8.102 1.00 54.12 C ATOM 621 C LEU A 38 -9.581 -2.951 9.271 1.00 1.42 C ATOM 622 O LEU A 38 -8.725 -2.147 9.619 1.00 63.20 O ATOM 623 CB LEU A 38 -10.270 -3.609 6.933 1.00 73.41 C ATOM 624 CG LEU A 38 -10.239 -2.142 6.401 1.00 55.03 C ATOM 625 CD1 LEU A 38 -8.878 -1.805 5.771 1.00 51.03 C ATOM 626 CD2 LEU A 38 -11.404 -1.869 5.436 1.00 45.43 C ATOM 0 H LEU A 38 -10.079 -5.836 7.926 1.00 63.45 H new ATOM 0 HA LEU A 38 -8.272 -3.754 7.782 1.00 54.12 H new ATOM 0 HB2 LEU A 38 -10.038 -4.282 6.107 1.00 73.41 H new ATOM 0 HB3 LEU A 38 -11.285 -3.839 7.256 1.00 73.41 H new ATOM 0 HG LEU A 38 -10.371 -1.477 7.254 1.00 55.03 H new ATOM 0 HD11 LEU A 38 -8.889 -0.777 5.410 1.00 51.03 H new ATOM 0 HD12 LEU A 38 -8.093 -1.919 6.518 1.00 51.03 H new ATOM 0 HD13 LEU A 38 -8.686 -2.480 4.937 1.00 51.03 H new ATOM 0 HD21 LEU A 38 -11.352 -0.838 5.085 1.00 45.43 H new ATOM 0 HD22 LEU A 38 -11.338 -2.546 4.585 1.00 45.43 H new ATOM 0 HD23 LEU A 38 -12.350 -2.028 5.953 1.00 45.43 H new ATOM 638 N LYS A 39 -10.777 -3.047 9.879 1.00 33.53 N ATOM 639 CA LYS A 39 -11.174 -2.101 10.936 1.00 74.32 C ATOM 640 C LYS A 39 -10.312 -2.263 12.204 1.00 4.13 C ATOM 641 O LYS A 39 -9.909 -1.264 12.795 1.00 70.12 O ATOM 642 CB LYS A 39 -12.710 -2.143 11.219 1.00 24.33 C ATOM 643 CG LYS A 39 -13.375 -3.526 11.453 1.00 21.31 C ATOM 644 CD LYS A 39 -13.163 -4.117 12.860 1.00 33.33 C ATOM 645 CE LYS A 39 -14.140 -5.265 13.168 1.00 50.53 C ATOM 646 NZ LYS A 39 -13.843 -5.922 14.467 1.00 61.52 N ATOM 0 H LYS A 39 -11.475 -3.758 9.661 1.00 33.53 H new ATOM 0 HA LYS A 39 -10.973 -1.096 10.565 1.00 74.32 H new ATOM 0 HB2 LYS A 39 -12.904 -1.527 12.097 1.00 24.33 H new ATOM 0 HB3 LYS A 39 -13.217 -1.668 10.379 1.00 24.33 H new ATOM 0 HG2 LYS A 39 -14.446 -3.434 11.271 1.00 21.31 H new ATOM 0 HG3 LYS A 39 -12.986 -4.229 10.717 1.00 21.31 H new ATOM 0 HD2 LYS A 39 -12.139 -4.481 12.947 1.00 33.33 H new ATOM 0 HD3 LYS A 39 -13.286 -3.330 13.604 1.00 33.33 H new ATOM 0 HE2 LYS A 39 -15.159 -4.878 13.183 1.00 50.53 H new ATOM 0 HE3 LYS A 39 -14.092 -6.005 12.369 1.00 50.53 H new ATOM 0 HZ1 LYS A 39 -14.731 -6.231 14.911 1.00 61.52 H new ATOM 0 HZ2 LYS A 39 -13.230 -6.747 14.307 1.00 61.52 H new ATOM 0 HZ3 LYS A 39 -13.359 -5.248 15.094 1.00 61.52 H new ATOM 660 N LYS A 40 -9.951 -3.514 12.558 1.00 4.52 N ATOM 661 CA LYS A 40 -9.134 -3.791 13.762 1.00 32.43 C ATOM 662 C LYS A 40 -7.756 -3.111 13.678 1.00 35.24 C ATOM 663 O LYS A 40 -7.334 -2.430 14.632 1.00 51.11 O ATOM 664 CB LYS A 40 -8.976 -5.320 14.003 1.00 24.42 C ATOM 665 CG LYS A 40 -10.253 -6.025 14.509 1.00 11.51 C ATOM 666 CD LYS A 40 -10.771 -5.454 15.850 1.00 62.22 C ATOM 667 CE LYS A 40 -9.789 -5.664 17.011 1.00 1.55 C ATOM 668 NZ LYS A 40 -10.237 -4.961 18.241 1.00 32.31 N ATOM 0 H LYS A 40 -10.211 -4.347 12.030 1.00 4.52 H new ATOM 0 HA LYS A 40 -9.666 -3.368 14.614 1.00 32.43 H new ATOM 0 HB2 LYS A 40 -8.661 -5.791 13.072 1.00 24.42 H new ATOM 0 HB3 LYS A 40 -8.177 -5.480 14.727 1.00 24.42 H new ATOM 0 HG2 LYS A 40 -11.035 -5.932 13.755 1.00 11.51 H new ATOM 0 HG3 LYS A 40 -10.050 -7.089 14.628 1.00 11.51 H new ATOM 0 HD2 LYS A 40 -10.965 -4.388 15.734 1.00 62.22 H new ATOM 0 HD3 LYS A 40 -11.722 -5.926 16.096 1.00 62.22 H new ATOM 0 HE2 LYS A 40 -9.690 -6.730 17.216 1.00 1.55 H new ATOM 0 HE3 LYS A 40 -8.802 -5.302 16.723 1.00 1.55 H new ATOM 0 HZ1 LYS A 40 -9.550 -5.125 19.004 1.00 32.31 H new ATOM 0 HZ2 LYS A 40 -10.307 -3.941 18.052 1.00 32.31 H new ATOM 0 HZ3 LYS A 40 -11.168 -5.325 18.529 1.00 32.31 H new ATOM 682 N GLU A 41 -7.076 -3.266 12.527 1.00 71.44 N ATOM 683 CA GLU A 41 -5.759 -2.652 12.311 1.00 70.25 C ATOM 684 C GLU A 41 -5.894 -1.123 12.166 1.00 74.31 C ATOM 685 O GLU A 41 -5.043 -0.400 12.651 1.00 5.22 O ATOM 686 CB GLU A 41 -5.065 -3.271 11.075 1.00 41.52 C ATOM 687 CG GLU A 41 -5.757 -2.958 9.739 1.00 3.11 C ATOM 688 CD GLU A 41 -5.246 -3.778 8.563 1.00 14.31 C ATOM 689 OE1 GLU A 41 -5.606 -4.976 8.476 1.00 65.34 O ATOM 690 OE2 GLU A 41 -4.474 -3.241 7.738 1.00 42.55 O ATOM 0 H GLU A 41 -7.419 -3.811 11.736 1.00 71.44 H new ATOM 0 HA GLU A 41 -5.135 -2.854 13.181 1.00 70.25 H new ATOM 0 HB2 GLU A 41 -4.037 -2.911 11.032 1.00 41.52 H new ATOM 0 HB3 GLU A 41 -5.019 -4.353 11.202 1.00 41.52 H new ATOM 0 HG2 GLU A 41 -6.828 -3.130 9.849 1.00 3.11 H new ATOM 0 HG3 GLU A 41 -5.625 -1.900 9.514 1.00 3.11 H new ATOM 697 N MET A 42 -7.009 -0.648 11.547 1.00 22.41 N ATOM 698 CA MET A 42 -7.253 0.797 11.290 1.00 34.22 C ATOM 699 C MET A 42 -7.313 1.610 12.587 1.00 62.42 C ATOM 700 O MET A 42 -6.784 2.733 12.657 1.00 13.03 O ATOM 701 CB MET A 42 -8.556 1.015 10.455 1.00 35.43 C ATOM 702 CG MET A 42 -8.404 0.851 8.921 1.00 71.03 C ATOM 703 SD MET A 42 -8.097 2.411 8.052 1.00 31.04 S ATOM 704 CE MET A 42 -6.546 2.983 8.738 1.00 55.32 C ATOM 0 H MET A 42 -7.760 -1.253 11.214 1.00 22.41 H new ATOM 0 HA MET A 42 -6.404 1.157 10.709 1.00 34.22 H new ATOM 0 HB2 MET A 42 -9.312 0.312 10.804 1.00 35.43 H new ATOM 0 HB3 MET A 42 -8.934 2.017 10.660 1.00 35.43 H new ATOM 0 HG2 MET A 42 -7.583 0.163 8.717 1.00 71.03 H new ATOM 0 HG3 MET A 42 -9.309 0.394 8.521 1.00 71.03 H new ATOM 0 HE1 MET A 42 -6.418 4.042 8.514 1.00 55.32 H new ATOM 0 HE2 MET A 42 -6.551 2.839 9.818 1.00 55.32 H new ATOM 0 HE3 MET A 42 -5.724 2.417 8.300 1.00 55.32 H new ATOM 714 N LYS A 43 -7.961 1.031 13.605 1.00 1.11 N ATOM 715 CA LYS A 43 -8.027 1.623 14.948 1.00 41.32 C ATOM 716 C LYS A 43 -6.609 1.750 15.550 1.00 51.01 C ATOM 717 O LYS A 43 -6.287 2.765 16.156 1.00 75.03 O ATOM 718 CB LYS A 43 -8.985 0.796 15.867 1.00 11.55 C ATOM 719 CG LYS A 43 -10.485 1.183 15.787 1.00 44.15 C ATOM 720 CD LYS A 43 -11.097 0.993 14.387 1.00 62.11 C ATOM 721 CE LYS A 43 -12.547 1.467 14.296 1.00 21.41 C ATOM 722 NZ LYS A 43 -12.667 2.926 14.530 1.00 15.01 N ATOM 0 H LYS A 43 -8.453 0.141 13.522 1.00 1.11 H new ATOM 0 HA LYS A 43 -8.441 2.629 14.874 1.00 41.32 H new ATOM 0 HB2 LYS A 43 -8.886 -0.259 15.611 1.00 11.55 H new ATOM 0 HB3 LYS A 43 -8.654 0.906 16.900 1.00 11.55 H new ATOM 0 HG2 LYS A 43 -11.045 0.583 16.504 1.00 44.15 H new ATOM 0 HG3 LYS A 43 -10.599 2.225 16.086 1.00 44.15 H new ATOM 0 HD2 LYS A 43 -10.497 1.537 13.658 1.00 62.11 H new ATOM 0 HD3 LYS A 43 -11.048 -0.062 14.116 1.00 62.11 H new ATOM 0 HE2 LYS A 43 -12.948 1.223 13.312 1.00 21.41 H new ATOM 0 HE3 LYS A 43 -13.151 0.931 15.028 1.00 21.41 H new ATOM 0 HZ1 LYS A 43 -13.626 3.240 14.279 1.00 15.01 H new ATOM 0 HZ2 LYS A 43 -12.487 3.133 15.533 1.00 15.01 H new ATOM 0 HZ3 LYS A 43 -11.973 3.430 13.942 1.00 15.01 H new ATOM 736 N LYS A 44 -5.751 0.734 15.312 1.00 4.13 N ATOM 737 CA LYS A 44 -4.338 0.752 15.760 1.00 55.31 C ATOM 738 C LYS A 44 -3.517 1.793 14.971 1.00 74.21 C ATOM 739 O LYS A 44 -2.686 2.491 15.538 1.00 4.14 O ATOM 740 CB LYS A 44 -3.692 -0.653 15.608 1.00 55.21 C ATOM 741 CG LYS A 44 -4.359 -1.805 16.405 1.00 1.41 C ATOM 742 CD LYS A 44 -3.911 -1.918 17.892 1.00 31.12 C ATOM 743 CE LYS A 44 -4.431 -0.798 18.809 1.00 34.23 C ATOM 744 NZ LYS A 44 -4.035 -1.010 20.227 1.00 62.45 N ATOM 0 H LYS A 44 -6.013 -0.114 14.809 1.00 4.13 H new ATOM 0 HA LYS A 44 -4.332 1.031 16.814 1.00 55.31 H new ATOM 0 HB2 LYS A 44 -3.698 -0.920 14.551 1.00 55.21 H new ATOM 0 HB3 LYS A 44 -2.648 -0.585 15.914 1.00 55.21 H new ATOM 0 HG2 LYS A 44 -5.440 -1.669 16.376 1.00 1.41 H new ATOM 0 HG3 LYS A 44 -4.142 -2.748 15.903 1.00 1.41 H new ATOM 0 HD2 LYS A 44 -4.247 -2.877 18.286 1.00 31.12 H new ATOM 0 HD3 LYS A 44 -2.822 -1.923 17.929 1.00 31.12 H new ATOM 0 HE2 LYS A 44 -4.045 0.161 18.464 1.00 34.23 H new ATOM 0 HE3 LYS A 44 -5.518 -0.748 18.740 1.00 34.23 H new ATOM 0 HZ1 LYS A 44 -4.405 -0.233 20.811 1.00 62.45 H new ATOM 0 HZ2 LYS A 44 -4.425 -1.913 20.565 1.00 62.45 H new ATOM 0 HZ3 LYS A 44 -2.998 -1.032 20.298 1.00 62.45 H new ATOM 758 N LEU A 45 -3.788 1.905 13.660 1.00 14.13 N ATOM 759 CA LEU A 45 -3.070 2.834 12.760 1.00 4.50 C ATOM 760 C LEU A 45 -3.420 4.299 13.106 1.00 73.30 C ATOM 761 O LEU A 45 -2.654 5.221 12.805 1.00 75.00 O ATOM 762 CB LEU A 45 -3.411 2.498 11.277 1.00 1.22 C ATOM 763 CG LEU A 45 -3.047 1.049 10.804 1.00 3.02 C ATOM 764 CD1 LEU A 45 -3.616 0.738 9.401 1.00 10.33 C ATOM 765 CD2 LEU A 45 -1.530 0.793 10.867 1.00 53.21 C ATOM 0 H LEU A 45 -4.509 1.357 13.191 1.00 14.13 H new ATOM 0 HA LEU A 45 -1.995 2.714 12.898 1.00 4.50 H new ATOM 0 HB2 LEU A 45 -4.480 2.651 11.126 1.00 1.22 H new ATOM 0 HB3 LEU A 45 -2.893 3.210 10.635 1.00 1.22 H new ATOM 0 HG LEU A 45 -3.523 0.360 11.502 1.00 3.02 H new ATOM 0 HD11 LEU A 45 -3.340 -0.276 9.113 1.00 10.33 H new ATOM 0 HD12 LEU A 45 -4.702 0.826 9.421 1.00 10.33 H new ATOM 0 HD13 LEU A 45 -3.208 1.444 8.678 1.00 10.33 H new ATOM 0 HD21 LEU A 45 -1.318 -0.222 10.531 1.00 53.21 H new ATOM 0 HD22 LEU A 45 -1.014 1.504 10.222 1.00 53.21 H new ATOM 0 HD23 LEU A 45 -1.183 0.916 11.893 1.00 53.21 H new ATOM 777 N ALA A 46 -4.585 4.479 13.753 1.00 32.23 N ATOM 778 CA ALA A 46 -5.039 5.775 14.273 1.00 72.04 C ATOM 779 C ALA A 46 -4.420 6.094 15.653 1.00 3.32 C ATOM 780 O ALA A 46 -3.886 7.187 15.855 1.00 54.15 O ATOM 781 CB ALA A 46 -6.574 5.791 14.344 1.00 42.51 C ATOM 0 H ALA A 46 -5.242 3.719 13.930 1.00 32.23 H new ATOM 0 HA ALA A 46 -4.701 6.554 13.589 1.00 72.04 H new ATOM 0 HB1 ALA A 46 -6.910 6.753 14.730 1.00 42.51 H new ATOM 0 HB2 ALA A 46 -6.986 5.636 13.347 1.00 42.51 H new ATOM 0 HB3 ALA A 46 -6.916 4.995 15.006 1.00 42.51 H new ATOM 787 N GLU A 47 -4.488 5.124 16.586 1.00 32.52 N ATOM 788 CA GLU A 47 -4.080 5.337 17.994 1.00 23.12 C ATOM 789 C GLU A 47 -2.555 5.337 18.158 1.00 24.52 C ATOM 790 O GLU A 47 -1.995 6.241 18.796 1.00 52.45 O ATOM 791 CB GLU A 47 -4.727 4.277 18.931 1.00 34.44 C ATOM 792 CG GLU A 47 -6.275 4.247 18.912 1.00 55.31 C ATOM 793 CD GLU A 47 -6.919 5.646 18.930 1.00 21.11 C ATOM 794 OE1 GLU A 47 -6.867 6.320 19.976 1.00 40.21 O ATOM 795 OE2 GLU A 47 -7.478 6.079 17.895 1.00 11.40 O ATOM 0 H GLU A 47 -4.823 4.180 16.391 1.00 32.52 H new ATOM 0 HA GLU A 47 -4.442 6.324 18.283 1.00 23.12 H new ATOM 0 HB2 GLU A 47 -4.356 3.291 18.651 1.00 34.44 H new ATOM 0 HB3 GLU A 47 -4.394 4.465 19.952 1.00 34.44 H new ATOM 0 HG2 GLU A 47 -6.609 3.714 18.022 1.00 55.31 H new ATOM 0 HG3 GLU A 47 -6.630 3.682 19.774 1.00 55.31 H new ATOM 802 N GLU A 48 -1.891 4.317 17.603 1.00 10.44 N ATOM 803 CA GLU A 48 -0.425 4.214 17.632 1.00 63.24 C ATOM 804 C GLU A 48 0.157 5.294 16.698 1.00 61.22 C ATOM 805 O GLU A 48 0.171 5.125 15.484 1.00 71.44 O ATOM 806 CB GLU A 48 0.046 2.785 17.202 1.00 34.23 C ATOM 807 CG GLU A 48 -0.708 1.609 17.867 1.00 41.30 C ATOM 808 CD GLU A 48 -0.713 1.657 19.402 1.00 22.31 C ATOM 809 OE1 GLU A 48 0.277 1.218 20.025 1.00 50.00 O ATOM 810 OE2 GLU A 48 -1.714 2.116 20.000 1.00 14.40 O ATOM 0 H GLU A 48 -2.350 3.543 17.123 1.00 10.44 H new ATOM 0 HA GLU A 48 -0.065 4.375 18.648 1.00 63.24 H new ATOM 0 HB2 GLU A 48 -0.059 2.697 16.121 1.00 34.23 H new ATOM 0 HB3 GLU A 48 1.108 2.688 17.428 1.00 34.23 H new ATOM 0 HG2 GLU A 48 -1.738 1.604 17.511 1.00 41.30 H new ATOM 0 HG3 GLU A 48 -0.254 0.672 17.545 1.00 41.30 H new ATOM 817 N LYS A 49 0.565 6.436 17.266 1.00 71.43 N ATOM 818 CA LYS A 49 1.010 7.604 16.471 1.00 54.21 C ATOM 819 C LYS A 49 2.536 7.714 16.410 1.00 1.51 C ATOM 820 O LYS A 49 3.062 8.565 15.687 1.00 43.41 O ATOM 821 CB LYS A 49 0.378 8.897 17.042 1.00 51.43 C ATOM 822 CG LYS A 49 -1.164 8.895 17.000 1.00 44.41 C ATOM 823 CD LYS A 49 -1.788 10.134 17.665 1.00 41.31 C ATOM 824 CE LYS A 49 -3.325 10.067 17.684 1.00 23.13 C ATOM 825 NZ LYS A 49 -3.904 9.984 16.316 1.00 4.33 N ATOM 0 H LYS A 49 0.599 6.583 18.275 1.00 71.43 H new ATOM 0 HA LYS A 49 0.669 7.464 15.445 1.00 54.21 H new ATOM 0 HB2 LYS A 49 0.706 9.028 18.073 1.00 51.43 H new ATOM 0 HB3 LYS A 49 0.748 9.753 16.478 1.00 51.43 H new ATOM 0 HG2 LYS A 49 -1.493 8.843 15.962 1.00 44.41 H new ATOM 0 HG3 LYS A 49 -1.534 7.998 17.497 1.00 44.41 H new ATOM 0 HD2 LYS A 49 -1.417 10.223 18.686 1.00 41.31 H new ATOM 0 HD3 LYS A 49 -1.471 11.030 17.131 1.00 41.31 H new ATOM 0 HE2 LYS A 49 -3.641 9.200 18.263 1.00 23.13 H new ATOM 0 HE3 LYS A 49 -3.719 10.949 18.190 1.00 23.13 H new ATOM 0 HZ1 LYS A 49 -4.856 10.403 16.316 1.00 4.33 H new ATOM 0 HZ2 LYS A 49 -3.297 10.503 15.650 1.00 4.33 H new ATOM 0 HZ3 LYS A 49 -3.965 8.988 16.025 1.00 4.33 H new ATOM 839 N ASN A 50 3.246 6.853 17.166 1.00 3.13 N ATOM 840 CA ASN A 50 4.724 6.796 17.139 1.00 40.22 C ATOM 841 C ASN A 50 5.208 6.193 15.808 1.00 53.30 C ATOM 842 O ASN A 50 4.400 5.686 15.007 1.00 61.24 O ATOM 843 CB ASN A 50 5.283 5.986 18.344 1.00 21.13 C ATOM 844 CG ASN A 50 4.988 6.614 19.717 1.00 13.05 C ATOM 845 OD1 ASN A 50 3.946 7.234 19.929 1.00 2.00 O ATOM 846 ND2 ASN A 50 5.902 6.456 20.666 1.00 33.31 N ATOM 0 H ASN A 50 2.818 6.184 17.806 1.00 3.13 H new ATOM 0 HA ASN A 50 5.103 7.814 17.223 1.00 40.22 H new ATOM 0 HB2 ASN A 50 4.862 4.981 18.319 1.00 21.13 H new ATOM 0 HB3 ASN A 50 6.362 5.882 18.229 1.00 21.13 H new ATOM 0 HD21 ASN A 50 5.748 6.852 21.593 1.00 33.31 H new ATOM 0 HD22 ASN A 50 6.758 5.938 20.468 1.00 33.31 H new ATOM 853 N PHE A 51 6.531 6.257 15.578 1.00 73.01 N ATOM 854 CA PHE A 51 7.139 5.785 14.326 1.00 15.12 C ATOM 855 C PHE A 51 6.976 4.261 14.191 1.00 65.25 C ATOM 856 O PHE A 51 7.217 3.520 15.145 1.00 1.22 O ATOM 857 CB PHE A 51 8.634 6.191 14.243 1.00 1.12 C ATOM 858 CG PHE A 51 9.254 5.969 12.860 1.00 60.44 C ATOM 859 CD1 PHE A 51 9.137 6.943 11.864 1.00 34.22 C ATOM 860 CD2 PHE A 51 9.935 4.790 12.551 1.00 60.22 C ATOM 861 CE1 PHE A 51 9.680 6.741 10.613 1.00 3.25 C ATOM 862 CE2 PHE A 51 10.472 4.589 11.299 1.00 44.01 C ATOM 863 CZ PHE A 51 10.347 5.565 10.332 1.00 73.11 C ATOM 0 H PHE A 51 7.201 6.634 16.248 1.00 73.01 H new ATOM 0 HA PHE A 51 6.620 6.262 13.495 1.00 15.12 H new ATOM 0 HB2 PHE A 51 8.732 7.243 14.511 1.00 1.12 H new ATOM 0 HB3 PHE A 51 9.198 5.620 14.981 1.00 1.12 H new ATOM 0 HD1 PHE A 51 8.615 7.864 12.077 1.00 34.22 H new ATOM 0 HD2 PHE A 51 10.042 4.024 13.305 1.00 60.22 H new ATOM 0 HE1 PHE A 51 9.584 7.502 9.853 1.00 3.25 H new ATOM 0 HE2 PHE A 51 10.990 3.669 11.074 1.00 44.01 H new ATOM 0 HZ PHE A 51 10.772 5.409 9.352 1.00 73.11 H new ATOM 873 N GLU A 52 6.555 3.822 13.005 1.00 3.32 N ATOM 874 CA GLU A 52 6.341 2.410 12.679 1.00 11.54 C ATOM 875 C GLU A 52 6.206 2.278 11.162 1.00 23.24 C ATOM 876 O GLU A 52 5.727 3.199 10.498 1.00 51.34 O ATOM 877 CB GLU A 52 5.079 1.861 13.407 1.00 63.43 C ATOM 878 CG GLU A 52 4.747 0.384 13.116 1.00 12.12 C ATOM 879 CD GLU A 52 3.519 -0.115 13.891 1.00 2.43 C ATOM 880 OE1 GLU A 52 2.419 0.423 13.675 1.00 40.41 O ATOM 881 OE2 GLU A 52 3.646 -1.037 14.722 1.00 61.44 O ATOM 0 H GLU A 52 6.349 4.450 12.228 1.00 3.32 H new ATOM 0 HA GLU A 52 7.190 1.818 13.020 1.00 11.54 H new ATOM 0 HB2 GLU A 52 5.217 1.981 14.481 1.00 63.43 H new ATOM 0 HB3 GLU A 52 4.222 2.472 13.126 1.00 63.43 H new ATOM 0 HG2 GLU A 52 4.571 0.260 12.047 1.00 12.12 H new ATOM 0 HG3 GLU A 52 5.608 -0.234 13.372 1.00 12.12 H new ATOM 888 N LYS A 53 6.654 1.151 10.617 1.00 62.42 N ATOM 889 CA LYS A 53 6.563 0.842 9.191 1.00 24.24 C ATOM 890 C LYS A 53 5.791 -0.464 9.012 1.00 74.12 C ATOM 891 O LYS A 53 6.198 -1.495 9.557 1.00 23.43 O ATOM 892 CB LYS A 53 7.974 0.710 8.579 1.00 35.32 C ATOM 893 CG LYS A 53 8.789 2.013 8.526 1.00 34.12 C ATOM 894 CD LYS A 53 10.175 1.779 7.903 1.00 13.11 C ATOM 895 CE LYS A 53 10.940 3.071 7.667 1.00 45.34 C ATOM 896 NZ LYS A 53 12.270 2.798 7.084 1.00 74.21 N ATOM 0 H LYS A 53 7.099 0.413 11.163 1.00 62.42 H new ATOM 0 HA LYS A 53 6.041 1.650 8.679 1.00 24.24 H new ATOM 0 HB2 LYS A 53 8.534 -0.027 9.154 1.00 35.32 H new ATOM 0 HB3 LYS A 53 7.878 0.319 7.566 1.00 35.32 H new ATOM 0 HG2 LYS A 53 8.248 2.760 7.945 1.00 34.12 H new ATOM 0 HG3 LYS A 53 8.903 2.414 9.533 1.00 34.12 H new ATOM 0 HD2 LYS A 53 10.758 1.131 8.558 1.00 13.11 H new ATOM 0 HD3 LYS A 53 10.058 1.253 6.956 1.00 13.11 H new ATOM 0 HE2 LYS A 53 10.372 3.718 6.999 1.00 45.34 H new ATOM 0 HE3 LYS A 53 11.055 3.608 8.609 1.00 45.34 H new ATOM 0 HZ1 LYS A 53 12.609 3.643 6.581 1.00 74.21 H new ATOM 0 HZ2 LYS A 53 12.938 2.555 7.843 1.00 74.21 H new ATOM 0 HZ3 LYS A 53 12.200 2.003 6.417 1.00 74.21 H new ATOM 910 N ILE A 54 4.673 -0.419 8.270 1.00 31.24 N ATOM 911 CA ILE A 54 3.860 -1.614 7.975 1.00 32.13 C ATOM 912 C ILE A 54 3.562 -1.705 6.470 1.00 41.51 C ATOM 913 O ILE A 54 3.095 -0.735 5.859 1.00 24.05 O ATOM 914 CB ILE A 54 2.498 -1.656 8.786 1.00 64.11 C ATOM 915 CG1 ILE A 54 2.751 -1.549 10.323 1.00 25.32 C ATOM 916 CG2 ILE A 54 1.698 -2.950 8.461 1.00 12.15 C ATOM 917 CD1 ILE A 54 1.496 -1.599 11.181 1.00 1.34 C ATOM 0 H ILE A 54 4.307 0.440 7.859 1.00 31.24 H new ATOM 0 HA ILE A 54 4.454 -2.471 8.292 1.00 32.13 H new ATOM 0 HB ILE A 54 1.906 -0.795 8.477 1.00 64.11 H new ATOM 0 HG12 ILE A 54 3.413 -2.360 10.625 1.00 25.32 H new ATOM 0 HG13 ILE A 54 3.276 -0.616 10.526 1.00 25.32 H new ATOM 0 HG21 ILE A 54 0.768 -2.955 9.030 1.00 12.15 H new ATOM 0 HG22 ILE A 54 1.472 -2.980 7.395 1.00 12.15 H new ATOM 0 HG23 ILE A 54 2.293 -3.823 8.730 1.00 12.15 H new ATOM 0 HD11 ILE A 54 1.771 -1.518 12.233 1.00 1.34 H new ATOM 0 HD12 ILE A 54 0.839 -0.772 10.913 1.00 1.34 H new ATOM 0 HD13 ILE A 54 0.978 -2.543 11.013 1.00 1.34 H new ATOM 929 N LEU A 55 3.856 -2.877 5.879 1.00 61.42 N ATOM 930 CA LEU A 55 3.387 -3.246 4.546 1.00 2.12 C ATOM 931 C LEU A 55 1.953 -3.770 4.667 1.00 55.34 C ATOM 932 O LEU A 55 1.735 -4.844 5.237 1.00 32.31 O ATOM 933 CB LEU A 55 4.275 -4.355 3.923 1.00 14.24 C ATOM 934 CG LEU A 55 3.912 -4.744 2.448 1.00 5.23 C ATOM 935 CD1 LEU A 55 4.372 -3.650 1.472 1.00 3.42 C ATOM 936 CD2 LEU A 55 4.452 -6.138 2.051 1.00 14.21 C ATOM 0 H LEU A 55 4.430 -3.594 6.322 1.00 61.42 H new ATOM 0 HA LEU A 55 3.434 -2.368 3.902 1.00 2.12 H new ATOM 0 HB2 LEU A 55 5.314 -4.026 3.951 1.00 14.24 H new ATOM 0 HB3 LEU A 55 4.206 -5.247 4.546 1.00 14.24 H new ATOM 0 HG LEU A 55 2.826 -4.817 2.388 1.00 5.23 H new ATOM 0 HD11 LEU A 55 4.111 -3.938 0.454 1.00 3.42 H new ATOM 0 HD12 LEU A 55 3.879 -2.710 1.721 1.00 3.42 H new ATOM 0 HD13 LEU A 55 5.452 -3.525 1.548 1.00 3.42 H new ATOM 0 HD21 LEU A 55 4.172 -6.357 1.020 1.00 14.21 H new ATOM 0 HD22 LEU A 55 5.538 -6.147 2.142 1.00 14.21 H new ATOM 0 HD23 LEU A 55 4.027 -6.894 2.711 1.00 14.21 H new ATOM 948 N ILE A 56 0.985 -3.014 4.161 1.00 51.31 N ATOM 949 CA ILE A 56 -0.411 -3.448 4.125 1.00 2.22 C ATOM 950 C ILE A 56 -0.681 -4.138 2.778 1.00 42.13 C ATOM 951 O ILE A 56 -0.607 -3.501 1.730 1.00 61.32 O ATOM 952 CB ILE A 56 -1.405 -2.245 4.308 1.00 40.34 C ATOM 953 CG1 ILE A 56 -1.094 -1.427 5.603 1.00 45.04 C ATOM 954 CG2 ILE A 56 -2.866 -2.751 4.317 1.00 63.42 C ATOM 955 CD1 ILE A 56 -1.369 -2.149 6.914 1.00 4.11 C ATOM 0 H ILE A 56 1.142 -2.087 3.765 1.00 51.31 H new ATOM 0 HA ILE A 56 -0.576 -4.138 4.952 1.00 2.22 H new ATOM 0 HB ILE A 56 -1.271 -1.573 3.461 1.00 40.34 H new ATOM 0 HG12 ILE A 56 -0.045 -1.133 5.583 1.00 45.04 H new ATOM 0 HG13 ILE A 56 -1.682 -0.510 5.583 1.00 45.04 H new ATOM 0 HG21 ILE A 56 -3.543 -1.906 4.445 1.00 63.42 H new ATOM 0 HG22 ILE A 56 -3.084 -3.251 3.373 1.00 63.42 H new ATOM 0 HG23 ILE A 56 -3.003 -3.453 5.140 1.00 63.42 H new ATOM 0 HD11 ILE A 56 -1.120 -1.494 7.749 1.00 4.11 H new ATOM 0 HD12 ILE A 56 -2.424 -2.419 6.966 1.00 4.11 H new ATOM 0 HD13 ILE A 56 -0.760 -3.052 6.967 1.00 4.11 H new ATOM 967 N LYS A 57 -0.966 -5.434 2.816 1.00 3.44 N ATOM 968 CA LYS A 57 -1.433 -6.192 1.657 1.00 41.55 C ATOM 969 C LYS A 57 -2.957 -6.137 1.634 1.00 54.41 C ATOM 970 O LYS A 57 -3.601 -6.456 2.634 1.00 32.03 O ATOM 971 CB LYS A 57 -0.920 -7.671 1.737 1.00 21.21 C ATOM 972 CG LYS A 57 -1.478 -8.651 0.655 1.00 13.43 C ATOM 973 CD LYS A 57 -2.800 -9.380 1.058 1.00 1.33 C ATOM 974 CE LYS A 57 -3.388 -10.213 -0.096 1.00 13.32 C ATOM 975 NZ LYS A 57 -4.668 -10.885 0.258 1.00 5.34 N ATOM 0 H LYS A 57 -0.879 -5.997 3.662 1.00 3.44 H new ATOM 0 HA LYS A 57 -1.041 -5.760 0.736 1.00 41.55 H new ATOM 0 HB2 LYS A 57 0.167 -7.662 1.663 1.00 21.21 H new ATOM 0 HB3 LYS A 57 -1.169 -8.068 2.721 1.00 21.21 H new ATOM 0 HG2 LYS A 57 -1.652 -8.094 -0.266 1.00 13.43 H new ATOM 0 HG3 LYS A 57 -0.718 -9.400 0.436 1.00 13.43 H new ATOM 0 HD2 LYS A 57 -2.607 -10.031 1.911 1.00 1.33 H new ATOM 0 HD3 LYS A 57 -3.535 -8.642 1.380 1.00 1.33 H new ATOM 0 HE2 LYS A 57 -3.552 -9.565 -0.957 1.00 13.32 H new ATOM 0 HE3 LYS A 57 -2.661 -10.967 -0.398 1.00 13.32 H new ATOM 0 HZ1 LYS A 57 -4.497 -11.900 0.410 1.00 5.34 H new ATOM 0 HZ2 LYS A 57 -5.052 -10.465 1.129 1.00 5.34 H new ATOM 0 HZ3 LYS A 57 -5.351 -10.761 -0.516 1.00 5.34 H new ATOM 989 N SER A 58 -3.518 -5.759 0.487 1.00 73.12 N ATOM 990 CA SER A 58 -4.954 -5.777 0.250 1.00 13.45 C ATOM 991 C SER A 58 -5.190 -5.758 -1.268 1.00 21.22 C ATOM 992 O SER A 58 -4.843 -4.788 -1.940 1.00 33.43 O ATOM 993 CB SER A 58 -5.631 -4.571 0.948 1.00 15.20 C ATOM 994 OG SER A 58 -7.029 -4.585 0.751 1.00 21.13 O ATOM 0 H SER A 58 -2.978 -5.428 -0.312 1.00 73.12 H new ATOM 0 HA SER A 58 -5.399 -6.679 0.671 1.00 13.45 H new ATOM 0 HB2 SER A 58 -5.411 -4.595 2.015 1.00 15.20 H new ATOM 0 HB3 SER A 58 -5.216 -3.642 0.558 1.00 15.20 H new ATOM 0 HG SER A 58 -7.460 -5.051 1.498 1.00 21.13 H new ATOM 1000 N ASN A 59 -5.783 -6.841 -1.787 1.00 32.21 N ATOM 1001 CA ASN A 59 -6.082 -7.000 -3.226 1.00 13.42 C ATOM 1002 C ASN A 59 -7.523 -6.559 -3.527 1.00 50.53 C ATOM 1003 O ASN A 59 -7.868 -6.311 -4.683 1.00 72.50 O ATOM 1004 CB ASN A 59 -5.851 -8.473 -3.670 1.00 63.42 C ATOM 1005 CG ASN A 59 -6.686 -9.475 -2.867 1.00 53.11 C ATOM 1006 OD1 ASN A 59 -6.266 -9.917 -1.797 1.00 30.14 O ATOM 1007 ND2 ASN A 59 -7.858 -9.836 -3.356 1.00 65.42 N ATOM 0 H ASN A 59 -6.073 -7.639 -1.222 1.00 32.21 H new ATOM 0 HA ASN A 59 -5.405 -6.362 -3.794 1.00 13.42 H new ATOM 0 HB2 ASN A 59 -6.094 -8.571 -4.728 1.00 63.42 H new ATOM 0 HB3 ASN A 59 -4.795 -8.719 -3.562 1.00 63.42 H new ATOM 0 HD21 ASN A 59 -8.442 -10.498 -2.845 1.00 65.42 H new ATOM 0 HD22 ASN A 59 -8.180 -9.453 -4.245 1.00 65.42 H new ATOM 1014 N ASP A 60 -8.356 -6.469 -2.477 1.00 12.42 N ATOM 1015 CA ASP A 60 -9.758 -6.033 -2.596 1.00 43.40 C ATOM 1016 C ASP A 60 -9.847 -4.499 -2.457 1.00 43.41 C ATOM 1017 O ASP A 60 -9.634 -3.967 -1.367 1.00 73.24 O ATOM 1018 CB ASP A 60 -10.626 -6.729 -1.520 1.00 63.02 C ATOM 1019 CG ASP A 60 -12.082 -6.225 -1.509 1.00 22.44 C ATOM 1020 OD1 ASP A 60 -12.864 -6.616 -2.400 1.00 62.52 O ATOM 1021 OD2 ASP A 60 -12.436 -5.413 -0.639 1.00 74.32 O ATOM 0 H ASP A 60 -8.077 -6.696 -1.523 1.00 12.42 H new ATOM 0 HA ASP A 60 -10.136 -6.315 -3.579 1.00 43.40 H new ATOM 0 HB2 ASP A 60 -10.620 -7.805 -1.695 1.00 63.02 H new ATOM 0 HB3 ASP A 60 -10.182 -6.563 -0.539 1.00 63.02 H new ATOM 1026 N LYS A 61 -10.203 -3.818 -3.565 1.00 44.41 N ATOM 1027 CA LYS A 61 -10.225 -2.336 -3.668 1.00 52.44 C ATOM 1028 C LYS A 61 -11.153 -1.657 -2.631 1.00 41.21 C ATOM 1029 O LYS A 61 -10.918 -0.500 -2.271 1.00 25.01 O ATOM 1030 CB LYS A 61 -10.625 -1.905 -5.101 1.00 61.43 C ATOM 1031 CG LYS A 61 -12.011 -2.419 -5.556 1.00 53.45 C ATOM 1032 CD LYS A 61 -12.354 -2.009 -7.002 1.00 22.21 C ATOM 1033 CE LYS A 61 -13.702 -2.564 -7.483 1.00 55.45 C ATOM 1034 NZ LYS A 61 -14.001 -2.156 -8.883 1.00 70.44 N ATOM 0 H LYS A 61 -10.488 -4.283 -4.427 1.00 44.41 H new ATOM 0 HA LYS A 61 -9.213 -1.999 -3.444 1.00 52.44 H new ATOM 0 HB2 LYS A 61 -10.618 -0.816 -5.156 1.00 61.43 H new ATOM 0 HB3 LYS A 61 -9.870 -2.264 -5.800 1.00 61.43 H new ATOM 0 HG2 LYS A 61 -12.035 -3.506 -5.476 1.00 53.45 H new ATOM 0 HG3 LYS A 61 -12.776 -2.033 -4.882 1.00 53.45 H new ATOM 0 HD2 LYS A 61 -12.371 -0.921 -7.070 1.00 22.21 H new ATOM 0 HD3 LYS A 61 -11.566 -2.358 -7.669 1.00 22.21 H new ATOM 0 HE2 LYS A 61 -13.692 -3.652 -7.416 1.00 55.45 H new ATOM 0 HE3 LYS A 61 -14.496 -2.212 -6.824 1.00 55.45 H new ATOM 0 HZ1 LYS A 61 -14.537 -2.910 -9.357 1.00 70.44 H new ATOM 0 HZ2 LYS A 61 -14.564 -1.282 -8.877 1.00 70.44 H new ATOM 0 HZ3 LYS A 61 -13.110 -1.991 -9.394 1.00 70.44 H new ATOM 1048 N GLN A 62 -12.182 -2.385 -2.144 1.00 23.44 N ATOM 1049 CA GLN A 62 -13.141 -1.848 -1.145 1.00 4.42 C ATOM 1050 C GLN A 62 -12.444 -1.656 0.209 1.00 64.44 C ATOM 1051 O GLN A 62 -12.689 -0.664 0.900 1.00 24.50 O ATOM 1052 CB GLN A 62 -14.373 -2.782 -0.998 1.00 22.34 C ATOM 1053 CG GLN A 62 -15.374 -2.728 -2.167 1.00 40.14 C ATOM 1054 CD GLN A 62 -16.182 -1.422 -2.200 1.00 51.01 C ATOM 1055 OE1 GLN A 62 -15.784 -0.436 -2.826 1.00 43.34 O ATOM 1056 NE2 GLN A 62 -17.321 -1.408 -1.523 1.00 21.11 N ATOM 0 H GLN A 62 -12.372 -3.347 -2.425 1.00 23.44 H new ATOM 0 HA GLN A 62 -13.495 -0.879 -1.497 1.00 4.42 H new ATOM 0 HB2 GLN A 62 -14.021 -3.808 -0.888 1.00 22.34 H new ATOM 0 HB3 GLN A 62 -14.898 -2.524 -0.078 1.00 22.34 H new ATOM 0 HG2 GLN A 62 -14.834 -2.839 -3.107 1.00 40.14 H new ATOM 0 HG3 GLN A 62 -16.060 -3.572 -2.091 1.00 40.14 H new ATOM 0 HE21 GLN A 62 -17.623 -2.240 -1.015 1.00 21.11 H new ATOM 0 HE22 GLN A 62 -17.896 -0.566 -1.510 1.00 21.11 H new ATOM 1065 N LEU A 63 -11.558 -2.611 0.559 1.00 74.22 N ATOM 1066 CA LEU A 63 -10.729 -2.532 1.772 1.00 41.11 C ATOM 1067 C LEU A 63 -9.800 -1.298 1.717 1.00 21.33 C ATOM 1068 O LEU A 63 -9.633 -0.610 2.722 1.00 42.40 O ATOM 1069 CB LEU A 63 -9.906 -3.839 1.966 1.00 72.15 C ATOM 1070 CG LEU A 63 -10.732 -5.149 2.182 1.00 55.03 C ATOM 1071 CD1 LEU A 63 -9.821 -6.396 2.220 1.00 23.52 C ATOM 1072 CD2 LEU A 63 -11.610 -5.059 3.446 1.00 34.21 C ATOM 0 H LEU A 63 -11.400 -3.455 0.008 1.00 74.22 H new ATOM 0 HA LEU A 63 -11.391 -2.421 2.631 1.00 41.11 H new ATOM 0 HB2 LEU A 63 -9.269 -3.976 1.092 1.00 72.15 H new ATOM 0 HB3 LEU A 63 -9.246 -3.705 2.823 1.00 72.15 H new ATOM 0 HG LEU A 63 -11.397 -5.257 1.325 1.00 55.03 H new ATOM 0 HD11 LEU A 63 -10.430 -7.287 2.372 1.00 23.52 H new ATOM 0 HD12 LEU A 63 -9.282 -6.481 1.277 1.00 23.52 H new ATOM 0 HD13 LEU A 63 -9.108 -6.301 3.039 1.00 23.52 H new ATOM 0 HD21 LEU A 63 -12.171 -5.986 3.566 1.00 34.21 H new ATOM 0 HD22 LEU A 63 -10.976 -4.902 4.319 1.00 34.21 H new ATOM 0 HD23 LEU A 63 -12.305 -4.225 3.348 1.00 34.21 H new ATOM 1084 N LEU A 64 -9.241 -1.006 0.517 1.00 3.22 N ATOM 1085 CA LEU A 64 -8.361 0.170 0.304 1.00 60.02 C ATOM 1086 C LEU A 64 -9.146 1.485 0.405 1.00 31.03 C ATOM 1087 O LEU A 64 -8.650 2.455 0.980 1.00 54.32 O ATOM 1088 CB LEU A 64 -7.619 0.129 -1.064 1.00 51.12 C ATOM 1089 CG LEU A 64 -6.503 -0.955 -1.205 1.00 71.12 C ATOM 1090 CD1 LEU A 64 -7.072 -2.338 -1.518 1.00 63.05 C ATOM 1091 CD2 LEU A 64 -5.462 -0.554 -2.250 1.00 3.15 C ATOM 0 H LEU A 64 -9.385 -1.571 -0.320 1.00 3.22 H new ATOM 0 HA LEU A 64 -7.616 0.125 1.098 1.00 60.02 H new ATOM 0 HB2 LEU A 64 -8.356 -0.033 -1.850 1.00 51.12 H new ATOM 0 HB3 LEU A 64 -7.172 1.107 -1.242 1.00 51.12 H new ATOM 0 HG LEU A 64 -6.010 -1.017 -0.235 1.00 71.12 H new ATOM 0 HD11 LEU A 64 -6.256 -3.056 -1.606 1.00 63.05 H new ATOM 0 HD12 LEU A 64 -7.741 -2.646 -0.715 1.00 63.05 H new ATOM 0 HD13 LEU A 64 -7.625 -2.300 -2.457 1.00 63.05 H new ATOM 0 HD21 LEU A 64 -4.701 -1.331 -2.322 1.00 3.15 H new ATOM 0 HD22 LEU A 64 -5.947 -0.431 -3.218 1.00 3.15 H new ATOM 0 HD23 LEU A 64 -4.995 0.386 -1.956 1.00 3.15 H new ATOM 1103 N LYS A 65 -10.364 1.505 -0.167 1.00 73.43 N ATOM 1104 CA LYS A 65 -11.237 2.692 -0.151 1.00 63.33 C ATOM 1105 C LYS A 65 -11.576 3.081 1.295 1.00 12.45 C ATOM 1106 O LYS A 65 -11.234 4.179 1.738 1.00 23.12 O ATOM 1107 CB LYS A 65 -12.533 2.434 -0.976 1.00 5.22 C ATOM 1108 CG LYS A 65 -12.332 2.398 -2.511 1.00 12.44 C ATOM 1109 CD LYS A 65 -11.838 3.740 -3.128 1.00 31.13 C ATOM 1110 CE LYS A 65 -12.874 4.891 -3.071 1.00 55.53 C ATOM 1111 NZ LYS A 65 -13.064 5.457 -1.700 1.00 60.40 N ATOM 0 H LYS A 65 -10.768 0.703 -0.651 1.00 73.43 H new ATOM 0 HA LYS A 65 -10.705 3.522 -0.615 1.00 63.33 H new ATOM 0 HB2 LYS A 65 -12.966 1.485 -0.658 1.00 5.22 H new ATOM 0 HB3 LYS A 65 -13.259 3.211 -0.737 1.00 5.22 H new ATOM 0 HG2 LYS A 65 -11.613 1.615 -2.753 1.00 12.44 H new ATOM 0 HG3 LYS A 65 -13.275 2.121 -2.982 1.00 12.44 H new ATOM 0 HD2 LYS A 65 -10.934 4.055 -2.606 1.00 31.13 H new ATOM 0 HD3 LYS A 65 -11.562 3.568 -4.168 1.00 31.13 H new ATOM 0 HE2 LYS A 65 -12.557 5.688 -3.743 1.00 55.53 H new ATOM 0 HE3 LYS A 65 -13.832 4.525 -3.440 1.00 55.53 H new ATOM 0 HZ1 LYS A 65 -13.105 6.495 -1.755 1.00 60.40 H new ATOM 0 HZ2 LYS A 65 -13.952 5.097 -1.296 1.00 60.40 H new ATOM 0 HZ3 LYS A 65 -12.268 5.174 -1.094 1.00 60.40 H new ATOM 1125 N GLU A 66 -12.169 2.123 2.025 1.00 22.44 N ATOM 1126 CA GLU A 66 -12.559 2.285 3.437 1.00 15.13 C ATOM 1127 C GLU A 66 -11.356 2.694 4.315 1.00 13.10 C ATOM 1128 O GLU A 66 -11.486 3.552 5.192 1.00 10.13 O ATOM 1129 CB GLU A 66 -13.154 0.954 3.953 1.00 54.23 C ATOM 1130 CG GLU A 66 -14.478 0.531 3.288 1.00 30.24 C ATOM 1131 CD GLU A 66 -15.678 1.372 3.738 1.00 52.14 C ATOM 1132 OE1 GLU A 66 -16.164 1.167 4.870 1.00 32.24 O ATOM 1133 OE2 GLU A 66 -16.136 2.251 2.973 1.00 64.35 O ATOM 0 H GLU A 66 -12.394 1.203 1.648 1.00 22.44 H new ATOM 0 HA GLU A 66 -13.302 3.080 3.500 1.00 15.13 H new ATOM 0 HB2 GLU A 66 -12.420 0.163 3.802 1.00 54.23 H new ATOM 0 HB3 GLU A 66 -13.315 1.038 5.028 1.00 54.23 H new ATOM 0 HG2 GLU A 66 -14.374 0.609 2.206 1.00 30.24 H new ATOM 0 HG3 GLU A 66 -14.672 -0.517 3.515 1.00 30.24 H new ATOM 1140 N MET A 67 -10.187 2.079 4.028 1.00 34.30 N ATOM 1141 CA MET A 67 -8.924 2.335 4.749 1.00 61.34 C ATOM 1142 C MET A 67 -8.518 3.811 4.622 1.00 13.32 C ATOM 1143 O MET A 67 -8.397 4.517 5.617 1.00 50.01 O ATOM 1144 CB MET A 67 -7.793 1.431 4.186 1.00 12.01 C ATOM 1145 CG MET A 67 -6.500 1.394 5.010 1.00 43.34 C ATOM 1146 SD MET A 67 -5.164 0.513 4.167 1.00 63.12 S ATOM 1147 CE MET A 67 -5.946 -1.057 3.766 1.00 75.44 C ATOM 0 H MET A 67 -10.095 1.387 3.284 1.00 34.30 H new ATOM 0 HA MET A 67 -9.079 2.103 5.803 1.00 61.34 H new ATOM 0 HB2 MET A 67 -8.175 0.414 4.098 1.00 12.01 H new ATOM 0 HB3 MET A 67 -7.551 1.769 3.178 1.00 12.01 H new ATOM 0 HG2 MET A 67 -6.180 2.414 5.223 1.00 43.34 H new ATOM 0 HG3 MET A 67 -6.698 0.915 5.969 1.00 43.34 H new ATOM 0 HE1 MET A 67 -5.233 -1.696 3.244 1.00 75.44 H new ATOM 0 HE2 MET A 67 -6.268 -1.548 4.684 1.00 75.44 H new ATOM 0 HE3 MET A 67 -6.811 -0.880 3.126 1.00 75.44 H new ATOM 1157 N LEU A 68 -8.381 4.266 3.366 1.00 71.15 N ATOM 1158 CA LEU A 68 -7.912 5.627 3.028 1.00 13.40 C ATOM 1159 C LEU A 68 -8.944 6.707 3.413 1.00 34.23 C ATOM 1160 O LEU A 68 -8.589 7.882 3.565 1.00 35.03 O ATOM 1161 CB LEU A 68 -7.564 5.700 1.518 1.00 43.13 C ATOM 1162 CG LEU A 68 -6.387 4.777 1.056 1.00 34.14 C ATOM 1163 CD1 LEU A 68 -6.206 4.809 -0.473 1.00 72.51 C ATOM 1164 CD2 LEU A 68 -5.073 5.138 1.780 1.00 10.43 C ATOM 0 H LEU A 68 -8.594 3.697 2.547 1.00 71.15 H new ATOM 0 HA LEU A 68 -7.014 5.831 3.612 1.00 13.40 H new ATOM 0 HB2 LEU A 68 -8.454 5.441 0.944 1.00 43.13 H new ATOM 0 HB3 LEU A 68 -7.314 6.731 1.269 1.00 43.13 H new ATOM 0 HG LEU A 68 -6.650 3.756 1.332 1.00 34.14 H new ATOM 0 HD11 LEU A 68 -5.380 4.156 -0.755 1.00 72.51 H new ATOM 0 HD12 LEU A 68 -7.121 4.465 -0.955 1.00 72.51 H new ATOM 0 HD13 LEU A 68 -5.989 5.828 -0.792 1.00 72.51 H new ATOM 0 HD21 LEU A 68 -4.276 4.479 1.437 1.00 10.43 H new ATOM 0 HD22 LEU A 68 -4.809 6.172 1.560 1.00 10.43 H new ATOM 0 HD23 LEU A 68 -5.205 5.018 2.855 1.00 10.43 H new ATOM 1176 N GLU A 69 -10.212 6.297 3.568 1.00 72.44 N ATOM 1177 CA GLU A 69 -11.287 7.170 4.074 1.00 13.41 C ATOM 1178 C GLU A 69 -11.156 7.362 5.601 1.00 42.33 C ATOM 1179 O GLU A 69 -11.455 8.436 6.117 1.00 63.25 O ATOM 1180 CB GLU A 69 -12.679 6.597 3.686 1.00 31.11 C ATOM 1181 CG GLU A 69 -12.997 6.710 2.178 1.00 51.22 C ATOM 1182 CD GLU A 69 -14.303 6.010 1.766 1.00 53.43 C ATOM 1183 OE1 GLU A 69 -15.380 6.443 2.221 1.00 72.42 O ATOM 1184 OE2 GLU A 69 -14.259 5.028 0.983 1.00 31.02 O ATOM 0 H GLU A 69 -10.523 5.351 3.347 1.00 72.44 H new ATOM 0 HA GLU A 69 -11.191 8.151 3.610 1.00 13.41 H new ATOM 0 HB2 GLU A 69 -12.726 5.549 3.981 1.00 31.11 H new ATOM 0 HB3 GLU A 69 -13.449 7.122 4.251 1.00 31.11 H new ATOM 0 HG2 GLU A 69 -13.059 7.764 1.907 1.00 51.22 H new ATOM 0 HG3 GLU A 69 -12.171 6.283 1.609 1.00 51.22 H new ATOM 1191 N LEU A 70 -10.683 6.325 6.310 1.00 33.34 N ATOM 1192 CA LEU A 70 -10.400 6.414 7.765 1.00 34.54 C ATOM 1193 C LEU A 70 -9.047 7.134 8.013 1.00 71.13 C ATOM 1194 O LEU A 70 -8.874 7.833 9.021 1.00 40.53 O ATOM 1195 CB LEU A 70 -10.424 4.994 8.410 1.00 23.04 C ATOM 1196 CG LEU A 70 -11.788 4.225 8.306 1.00 4.11 C ATOM 1197 CD1 LEU A 70 -11.696 2.809 8.922 1.00 64.12 C ATOM 1198 CD2 LEU A 70 -12.944 5.034 8.935 1.00 21.24 C ATOM 0 H LEU A 70 -10.486 5.410 5.905 1.00 33.34 H new ATOM 0 HA LEU A 70 -11.180 7.008 8.242 1.00 34.54 H new ATOM 0 HB2 LEU A 70 -9.649 4.388 7.940 1.00 23.04 H new ATOM 0 HB3 LEU A 70 -10.160 5.088 9.463 1.00 23.04 H new ATOM 0 HG LEU A 70 -12.008 4.105 7.245 1.00 4.11 H new ATOM 0 HD11 LEU A 70 -12.660 2.309 8.830 1.00 64.12 H new ATOM 0 HD12 LEU A 70 -10.936 2.232 8.395 1.00 64.12 H new ATOM 0 HD13 LEU A 70 -11.426 2.887 9.975 1.00 64.12 H new ATOM 0 HD21 LEU A 70 -13.873 4.471 8.845 1.00 21.24 H new ATOM 0 HD22 LEU A 70 -12.730 5.215 9.988 1.00 21.24 H new ATOM 0 HD23 LEU A 70 -13.046 5.987 8.416 1.00 21.24 H new ATOM 1210 N ILE A 71 -8.117 6.989 7.043 1.00 11.25 N ATOM 1211 CA ILE A 71 -6.809 7.689 7.038 1.00 13.20 C ATOM 1212 C ILE A 71 -7.002 9.173 6.668 1.00 12.54 C ATOM 1213 O ILE A 71 -6.172 10.004 7.005 1.00 71.13 O ATOM 1214 CB ILE A 71 -5.776 6.996 6.048 1.00 61.13 C ATOM 1215 CG1 ILE A 71 -5.523 5.522 6.488 1.00 62.21 C ATOM 1216 CG2 ILE A 71 -4.430 7.769 5.949 1.00 74.03 C ATOM 1217 CD1 ILE A 71 -4.617 4.709 5.581 1.00 1.34 C ATOM 0 H ILE A 71 -8.252 6.380 6.236 1.00 11.25 H new ATOM 0 HA ILE A 71 -6.391 7.625 8.043 1.00 13.20 H new ATOM 0 HB ILE A 71 -6.223 7.011 5.054 1.00 61.13 H new ATOM 0 HG12 ILE A 71 -5.091 5.530 7.489 1.00 62.21 H new ATOM 0 HG13 ILE A 71 -6.485 5.014 6.560 1.00 62.21 H new ATOM 0 HG21 ILE A 71 -3.763 7.251 5.260 1.00 74.03 H new ATOM 0 HG22 ILE A 71 -4.616 8.779 5.584 1.00 74.03 H new ATOM 0 HG23 ILE A 71 -3.966 7.819 6.934 1.00 74.03 H new ATOM 0 HD11 ILE A 71 -4.511 3.701 5.982 1.00 1.34 H new ATOM 0 HD12 ILE A 71 -5.052 4.659 4.583 1.00 1.34 H new ATOM 0 HD13 ILE A 71 -3.637 5.183 5.526 1.00 1.34 H new ATOM 1229 N SER A 72 -8.130 9.506 6.007 1.00 0.13 N ATOM 1230 CA SER A 72 -8.450 10.895 5.599 1.00 63.52 C ATOM 1231 C SER A 72 -8.492 11.879 6.798 1.00 43.31 C ATOM 1232 O SER A 72 -8.357 13.089 6.613 1.00 70.25 O ATOM 1233 CB SER A 72 -9.787 10.920 4.821 1.00 33.00 C ATOM 1234 OG SER A 72 -9.987 12.158 4.157 1.00 44.43 O ATOM 0 H SER A 72 -8.842 8.826 5.741 1.00 0.13 H new ATOM 0 HA SER A 72 -7.644 11.237 4.949 1.00 63.52 H new ATOM 0 HB2 SER A 72 -9.798 10.110 4.091 1.00 33.00 H new ATOM 0 HB3 SER A 72 -10.612 10.740 5.510 1.00 33.00 H new ATOM 0 HG SER A 72 -10.840 12.137 3.675 1.00 44.43 H new ATOM 1240 N LYS A 73 -8.677 11.342 8.019 1.00 74.33 N ATOM 1241 CA LYS A 73 -8.630 12.133 9.262 1.00 21.14 C ATOM 1242 C LYS A 73 -7.181 12.262 9.792 1.00 41.35 C ATOM 1243 O LYS A 73 -6.807 13.289 10.362 1.00 53.12 O ATOM 1244 CB LYS A 73 -9.529 11.481 10.343 1.00 52.12 C ATOM 1245 CG LYS A 73 -11.022 11.365 9.958 1.00 61.02 C ATOM 1246 CD LYS A 73 -11.886 10.862 11.135 1.00 30.33 C ATOM 1247 CE LYS A 73 -13.369 10.697 10.766 1.00 2.45 C ATOM 1248 NZ LYS A 73 -13.581 9.666 9.714 1.00 3.23 N ATOM 0 H LYS A 73 -8.863 10.351 8.171 1.00 74.33 H new ATOM 0 HA LYS A 73 -9.001 13.133 9.037 1.00 21.14 H new ATOM 0 HB2 LYS A 73 -9.146 10.484 10.562 1.00 52.12 H new ATOM 0 HB3 LYS A 73 -9.449 12.062 11.262 1.00 52.12 H new ATOM 0 HG2 LYS A 73 -11.388 12.338 9.629 1.00 61.02 H new ATOM 0 HG3 LYS A 73 -11.127 10.683 9.114 1.00 61.02 H new ATOM 0 HD2 LYS A 73 -11.495 9.905 11.482 1.00 30.33 H new ATOM 0 HD3 LYS A 73 -11.800 11.562 11.966 1.00 30.33 H new ATOM 0 HE2 LYS A 73 -13.934 10.424 11.657 1.00 2.45 H new ATOM 0 HE3 LYS A 73 -13.763 11.652 10.419 1.00 2.45 H new ATOM 0 HZ1 LYS A 73 -14.601 9.519 9.572 1.00 3.23 H new ATOM 0 HZ2 LYS A 73 -13.150 9.985 8.823 1.00 3.23 H new ATOM 0 HZ3 LYS A 73 -13.141 8.772 10.011 1.00 3.23 H new ATOM 1262 N LEU A 74 -6.380 11.206 9.592 1.00 4.00 N ATOM 1263 CA LEU A 74 -5.014 11.093 10.154 1.00 51.12 C ATOM 1264 C LEU A 74 -3.990 11.839 9.263 1.00 30.53 C ATOM 1265 O LEU A 74 -3.206 12.670 9.745 1.00 41.32 O ATOM 1266 CB LEU A 74 -4.668 9.582 10.275 1.00 22.40 C ATOM 1267 CG LEU A 74 -5.729 8.723 11.039 1.00 63.40 C ATOM 1268 CD1 LEU A 74 -5.442 7.212 10.900 1.00 24.45 C ATOM 1269 CD2 LEU A 74 -5.835 9.156 12.524 1.00 32.23 C ATOM 0 H LEU A 74 -6.657 10.399 9.034 1.00 4.00 H new ATOM 0 HA LEU A 74 -4.971 11.558 11.139 1.00 51.12 H new ATOM 0 HB2 LEU A 74 -4.543 9.171 9.273 1.00 22.40 H new ATOM 0 HB3 LEU A 74 -3.708 9.483 10.782 1.00 22.40 H new ATOM 0 HG LEU A 74 -6.699 8.906 10.577 1.00 63.40 H new ATOM 0 HD11 LEU A 74 -6.199 6.646 11.443 1.00 24.45 H new ATOM 0 HD12 LEU A 74 -5.466 6.932 9.847 1.00 24.45 H new ATOM 0 HD13 LEU A 74 -4.458 6.989 11.312 1.00 24.45 H new ATOM 0 HD21 LEU A 74 -6.580 8.542 13.030 1.00 32.23 H new ATOM 0 HD22 LEU A 74 -4.868 9.028 13.010 1.00 32.23 H new ATOM 0 HD23 LEU A 74 -6.132 10.203 12.577 1.00 32.23 H new ATOM 1281 N GLY A 75 -4.031 11.524 7.959 1.00 15.55 N ATOM 1282 CA GLY A 75 -3.281 12.245 6.934 1.00 73.34 C ATOM 1283 C GLY A 75 -1.784 11.949 6.923 1.00 62.12 C ATOM 1284 O GLY A 75 -0.982 12.844 6.624 1.00 13.11 O ATOM 0 H GLY A 75 -4.591 10.756 7.590 1.00 15.55 H new ATOM 0 HA2 GLY A 75 -3.695 11.998 5.957 1.00 73.34 H new ATOM 0 HA3 GLY A 75 -3.426 13.315 7.080 1.00 73.34 H new ATOM 1288 N TYR A 76 -1.396 10.701 7.271 1.00 41.24 N ATOM 1289 CA TYR A 76 0.009 10.251 7.156 1.00 74.13 C ATOM 1290 C TYR A 76 0.300 9.734 5.729 1.00 63.21 C ATOM 1291 O TYR A 76 -0.625 9.521 4.931 1.00 4.13 O ATOM 1292 CB TYR A 76 0.375 9.195 8.250 1.00 42.32 C ATOM 1293 CG TYR A 76 -0.552 7.964 8.367 1.00 34.00 C ATOM 1294 CD1 TYR A 76 -0.621 6.996 7.358 1.00 11.24 C ATOM 1295 CD2 TYR A 76 -1.346 7.759 9.505 1.00 34.13 C ATOM 1296 CE1 TYR A 76 -1.438 5.890 7.476 1.00 15.21 C ATOM 1297 CE2 TYR A 76 -2.159 6.647 9.623 1.00 35.54 C ATOM 1298 CZ TYR A 76 -2.204 5.718 8.610 1.00 35.24 C ATOM 1299 OH TYR A 76 -3.020 4.612 8.727 1.00 54.15 O ATOM 0 H TYR A 76 -2.033 9.991 7.632 1.00 41.24 H new ATOM 0 HA TYR A 76 0.653 11.112 7.334 1.00 74.13 H new ATOM 0 HB2 TYR A 76 1.387 8.841 8.055 1.00 42.32 H new ATOM 0 HB3 TYR A 76 0.394 9.699 9.216 1.00 42.32 H new ATOM 0 HD1 TYR A 76 -0.022 7.117 6.468 1.00 11.24 H new ATOM 0 HD2 TYR A 76 -1.322 8.484 10.305 1.00 34.13 H new ATOM 0 HE1 TYR A 76 -1.478 5.160 6.681 1.00 15.21 H new ATOM 0 HE2 TYR A 76 -2.759 6.508 10.510 1.00 35.54 H new ATOM 0 HH TYR A 76 -3.125 4.189 7.849 1.00 54.15 H new ATOM 1309 N LYS A 77 1.596 9.533 5.438 1.00 54.51 N ATOM 1310 CA LYS A 77 2.076 9.120 4.109 1.00 45.51 C ATOM 1311 C LYS A 77 1.795 7.627 3.852 1.00 11.51 C ATOM 1312 O LYS A 77 2.447 6.744 4.434 1.00 31.52 O ATOM 1313 CB LYS A 77 3.594 9.422 3.974 1.00 10.12 C ATOM 1314 CG LYS A 77 3.964 10.925 3.985 1.00 30.01 C ATOM 1315 CD LYS A 77 3.564 11.651 2.684 1.00 43.10 C ATOM 1316 CE LYS A 77 3.943 13.145 2.700 1.00 31.42 C ATOM 1317 NZ LYS A 77 3.515 13.830 1.448 1.00 24.35 N ATOM 0 H LYS A 77 2.344 9.653 6.121 1.00 54.51 H new ATOM 0 HA LYS A 77 1.533 9.692 3.357 1.00 45.51 H new ATOM 0 HB2 LYS A 77 4.122 8.927 4.789 1.00 10.12 H new ATOM 0 HB3 LYS A 77 3.956 8.981 3.045 1.00 10.12 H new ATOM 0 HG2 LYS A 77 3.474 11.408 4.830 1.00 30.01 H new ATOM 0 HG3 LYS A 77 5.038 11.028 4.137 1.00 30.01 H new ATOM 0 HD2 LYS A 77 4.049 11.166 1.837 1.00 43.10 H new ATOM 0 HD3 LYS A 77 2.489 11.554 2.534 1.00 43.10 H new ATOM 0 HE2 LYS A 77 3.479 13.630 3.559 1.00 31.42 H new ATOM 0 HE3 LYS A 77 5.021 13.247 2.821 1.00 31.42 H new ATOM 0 HZ1 LYS A 77 3.785 14.833 1.491 1.00 24.35 H new ATOM 0 HZ2 LYS A 77 3.978 13.382 0.632 1.00 24.35 H new ATOM 0 HZ3 LYS A 77 2.483 13.754 1.346 1.00 24.35 H new ATOM 1331 N VAL A 78 0.785 7.372 3.011 1.00 0.01 N ATOM 1332 CA VAL A 78 0.487 6.032 2.478 1.00 73.42 C ATOM 1333 C VAL A 78 1.098 5.921 1.072 1.00 53.03 C ATOM 1334 O VAL A 78 0.923 6.826 0.253 1.00 65.23 O ATOM 1335 CB VAL A 78 -1.063 5.766 2.404 1.00 12.55 C ATOM 1336 CG1 VAL A 78 -1.369 4.311 1.961 1.00 0.24 C ATOM 1337 CG2 VAL A 78 -1.738 6.101 3.751 1.00 11.12 C ATOM 0 H VAL A 78 0.146 8.093 2.677 1.00 0.01 H new ATOM 0 HA VAL A 78 0.916 5.286 3.147 1.00 73.42 H new ATOM 0 HB VAL A 78 -1.482 6.427 1.645 1.00 12.55 H new ATOM 0 HG11 VAL A 78 -2.448 4.162 1.921 1.00 0.24 H new ATOM 0 HG12 VAL A 78 -0.941 4.133 0.974 1.00 0.24 H new ATOM 0 HG13 VAL A 78 -0.933 3.614 2.676 1.00 0.24 H new ATOM 0 HG21 VAL A 78 -2.809 5.910 3.679 1.00 11.12 H new ATOM 0 HG22 VAL A 78 -1.311 5.478 4.537 1.00 11.12 H new ATOM 0 HG23 VAL A 78 -1.572 7.151 3.990 1.00 11.12 H new ATOM 1347 N PHE A 79 1.820 4.823 0.812 1.00 13.15 N ATOM 1348 CA PHE A 79 2.476 4.557 -0.477 1.00 31.40 C ATOM 1349 C PHE A 79 1.783 3.357 -1.129 1.00 15.42 C ATOM 1350 O PHE A 79 1.970 2.228 -0.697 1.00 21.53 O ATOM 1351 CB PHE A 79 3.981 4.261 -0.232 1.00 73.04 C ATOM 1352 CG PHE A 79 4.753 5.407 0.429 1.00 72.53 C ATOM 1353 CD1 PHE A 79 5.314 6.422 -0.339 1.00 41.41 C ATOM 1354 CD2 PHE A 79 4.905 5.478 1.817 1.00 23.35 C ATOM 1355 CE1 PHE A 79 5.999 7.465 0.247 1.00 72.14 C ATOM 1356 CE2 PHE A 79 5.597 6.525 2.401 1.00 42.01 C ATOM 1357 CZ PHE A 79 6.142 7.518 1.616 1.00 73.02 C ATOM 0 H PHE A 79 1.967 4.084 1.500 1.00 13.15 H new ATOM 0 HA PHE A 79 2.400 5.420 -1.139 1.00 31.40 H new ATOM 0 HB2 PHE A 79 4.067 3.373 0.394 1.00 73.04 H new ATOM 0 HB3 PHE A 79 4.452 4.025 -1.186 1.00 73.04 H new ATOM 0 HD1 PHE A 79 5.211 6.392 -1.414 1.00 41.41 H new ATOM 0 HD2 PHE A 79 4.478 4.707 2.441 1.00 23.35 H new ATOM 0 HE1 PHE A 79 6.425 8.243 -0.369 1.00 72.14 H new ATOM 0 HE2 PHE A 79 5.710 6.564 3.474 1.00 42.01 H new ATOM 0 HZ PHE A 79 6.680 8.336 2.073 1.00 73.02 H new ATOM 1367 N LEU A 80 0.999 3.601 -2.179 1.00 15.42 N ATOM 1368 CA LEU A 80 0.146 2.582 -2.809 1.00 61.31 C ATOM 1369 C LEU A 80 0.762 2.131 -4.139 1.00 71.12 C ATOM 1370 O LEU A 80 1.328 2.940 -4.871 1.00 73.43 O ATOM 1371 CB LEU A 80 -1.303 3.131 -2.993 1.00 40.14 C ATOM 1372 CG LEU A 80 -2.328 2.208 -3.745 1.00 44.21 C ATOM 1373 CD1 LEU A 80 -2.413 0.797 -3.131 1.00 22.05 C ATOM 1374 CD2 LEU A 80 -3.729 2.865 -3.812 1.00 61.15 C ATOM 0 H LEU A 80 0.934 4.517 -2.623 1.00 15.42 H new ATOM 0 HA LEU A 80 0.084 1.708 -2.161 1.00 61.31 H new ATOM 0 HB2 LEU A 80 -1.709 3.353 -2.006 1.00 40.14 H new ATOM 0 HB3 LEU A 80 -1.241 4.076 -3.532 1.00 40.14 H new ATOM 0 HG LEU A 80 -1.953 2.091 -4.762 1.00 44.21 H new ATOM 0 HD11 LEU A 80 -3.135 0.201 -3.688 1.00 22.05 H new ATOM 0 HD12 LEU A 80 -1.434 0.320 -3.179 1.00 22.05 H new ATOM 0 HD13 LEU A 80 -2.730 0.871 -2.091 1.00 22.05 H new ATOM 0 HD21 LEU A 80 -4.417 2.203 -4.338 1.00 61.15 H new ATOM 0 HD22 LEU A 80 -4.097 3.041 -2.801 1.00 61.15 H new ATOM 0 HD23 LEU A 80 -3.661 3.814 -4.344 1.00 61.15 H new ATOM 1386 N LEU A 81 0.651 0.827 -4.429 1.00 53.25 N ATOM 1387 CA LEU A 81 1.155 0.220 -5.662 1.00 72.41 C ATOM 1388 C LEU A 81 0.076 -0.693 -6.262 1.00 72.42 C ATOM 1389 O LEU A 81 -0.277 -1.720 -5.674 1.00 45.24 O ATOM 1390 CB LEU A 81 2.451 -0.573 -5.374 1.00 25.15 C ATOM 1391 CG LEU A 81 3.208 -1.129 -6.617 1.00 41.02 C ATOM 1392 CD1 LEU A 81 3.594 0.006 -7.590 1.00 22.25 C ATOM 1393 CD2 LEU A 81 4.443 -1.951 -6.190 1.00 2.31 C ATOM 0 H LEU A 81 0.202 0.158 -3.803 1.00 53.25 H new ATOM 0 HA LEU A 81 1.391 1.003 -6.383 1.00 72.41 H new ATOM 0 HB2 LEU A 81 3.132 0.073 -4.819 1.00 25.15 H new ATOM 0 HB3 LEU A 81 2.203 -1.410 -4.721 1.00 25.15 H new ATOM 0 HG LEU A 81 2.533 -1.799 -7.149 1.00 41.02 H new ATOM 0 HD11 LEU A 81 4.121 -0.413 -8.447 1.00 22.25 H new ATOM 0 HD12 LEU A 81 2.693 0.515 -7.931 1.00 22.25 H new ATOM 0 HD13 LEU A 81 4.242 0.719 -7.079 1.00 22.25 H new ATOM 0 HD21 LEU A 81 4.954 -2.328 -7.076 1.00 2.31 H new ATOM 0 HD22 LEU A 81 5.123 -1.317 -5.621 1.00 2.31 H new ATOM 0 HD23 LEU A 81 4.125 -2.790 -5.570 1.00 2.31 H new ATOM 1405 N LEU A 82 -0.449 -0.284 -7.420 1.00 14.24 N ATOM 1406 CA LEU A 82 -1.461 -1.023 -8.178 1.00 51.34 C ATOM 1407 C LEU A 82 -0.758 -1.885 -9.242 1.00 54.31 C ATOM 1408 O LEU A 82 -0.433 -1.391 -10.329 1.00 20.24 O ATOM 1409 CB LEU A 82 -2.452 -0.011 -8.821 1.00 62.32 C ATOM 1410 CG LEU A 82 -3.168 0.970 -7.834 1.00 73.32 C ATOM 1411 CD1 LEU A 82 -3.989 2.028 -8.601 1.00 73.43 C ATOM 1412 CD2 LEU A 82 -4.045 0.206 -6.815 1.00 24.51 C ATOM 0 H LEU A 82 -0.175 0.591 -7.867 1.00 14.24 H new ATOM 0 HA LEU A 82 -2.029 -1.685 -7.525 1.00 51.34 H new ATOM 0 HB2 LEU A 82 -1.909 0.580 -9.559 1.00 62.32 H new ATOM 0 HB3 LEU A 82 -3.215 -0.573 -9.361 1.00 62.32 H new ATOM 0 HG LEU A 82 -2.396 1.494 -7.270 1.00 73.32 H new ATOM 0 HD11 LEU A 82 -4.476 2.696 -7.890 1.00 73.43 H new ATOM 0 HD12 LEU A 82 -3.327 2.605 -9.246 1.00 73.43 H new ATOM 0 HD13 LEU A 82 -4.745 1.531 -9.209 1.00 73.43 H new ATOM 0 HD21 LEU A 82 -4.528 0.917 -6.145 1.00 24.51 H new ATOM 0 HD22 LEU A 82 -4.806 -0.366 -7.346 1.00 24.51 H new ATOM 0 HD23 LEU A 82 -3.420 -0.473 -6.235 1.00 24.51 H new ATOM 1424 N ALA A 83 -0.467 -3.149 -8.896 1.00 4.20 N ATOM 1425 CA ALA A 83 0.265 -4.081 -9.771 1.00 41.20 C ATOM 1426 C ALA A 83 -0.686 -5.097 -10.421 1.00 54.44 C ATOM 1427 O ALA A 83 -1.168 -6.030 -9.761 1.00 62.22 O ATOM 1428 CB ALA A 83 1.369 -4.779 -8.965 1.00 31.31 C ATOM 0 H ALA A 83 -0.733 -3.555 -7.999 1.00 4.20 H new ATOM 0 HA ALA A 83 0.727 -3.518 -10.582 1.00 41.20 H new ATOM 0 HB1 ALA A 83 1.911 -5.469 -9.612 1.00 31.31 H new ATOM 0 HB2 ALA A 83 2.059 -4.033 -8.571 1.00 31.31 H new ATOM 0 HB3 ALA A 83 0.922 -5.332 -8.139 1.00 31.31 H new ATOM 1434 N ASP A 84 -0.912 -4.922 -11.726 1.00 61.23 N ATOM 1435 CA ASP A 84 -1.794 -5.775 -12.544 1.00 43.52 C ATOM 1436 C ASP A 84 -1.758 -5.284 -13.997 1.00 3.44 C ATOM 1437 O ASP A 84 -1.424 -4.120 -14.254 1.00 10.02 O ATOM 1438 CB ASP A 84 -3.258 -5.783 -11.990 1.00 21.51 C ATOM 1439 CG ASP A 84 -4.252 -6.591 -12.844 1.00 43.13 C ATOM 1440 OD1 ASP A 84 -4.007 -7.791 -13.078 1.00 54.12 O ATOM 1441 OD2 ASP A 84 -5.265 -6.027 -13.296 1.00 12.22 O ATOM 0 H ASP A 84 -0.480 -4.168 -12.260 1.00 61.23 H new ATOM 0 HA ASP A 84 -1.433 -6.803 -12.500 1.00 43.52 H new ATOM 0 HB2 ASP A 84 -3.250 -6.191 -10.979 1.00 21.51 H new ATOM 0 HB3 ASP A 84 -3.612 -4.755 -11.916 1.00 21.51 H new ATOM 1446 N GLN A 85 -2.116 -6.175 -14.944 1.00 41.23 N ATOM 1447 CA GLN A 85 -2.152 -5.873 -16.387 1.00 65.51 C ATOM 1448 C GLN A 85 -3.448 -5.101 -16.754 1.00 3.43 C ATOM 1449 O GLN A 85 -4.201 -5.516 -17.645 1.00 42.33 O ATOM 1450 CB GLN A 85 -2.053 -7.200 -17.196 1.00 50.43 C ATOM 1451 CG GLN A 85 -0.819 -8.066 -16.897 1.00 52.23 C ATOM 1452 CD GLN A 85 -0.771 -9.325 -17.764 1.00 34.30 C ATOM 1453 OE1 GLN A 85 -1.293 -10.374 -17.389 1.00 4.51 O ATOM 1454 NE2 GLN A 85 -0.165 -9.228 -18.933 1.00 44.53 N ATOM 0 H GLN A 85 -2.390 -7.133 -14.725 1.00 41.23 H new ATOM 0 HA GLN A 85 -1.304 -5.237 -16.640 1.00 65.51 H new ATOM 0 HB2 GLN A 85 -2.947 -7.792 -17.000 1.00 50.43 H new ATOM 0 HB3 GLN A 85 -2.057 -6.958 -18.259 1.00 50.43 H new ATOM 0 HG2 GLN A 85 0.084 -7.478 -17.063 1.00 52.23 H new ATOM 0 HG3 GLN A 85 -0.824 -8.352 -15.845 1.00 52.23 H new ATOM 0 HE21 GLN A 85 0.259 -8.344 -19.216 1.00 44.53 H new ATOM 0 HE22 GLN A 85 -0.120 -10.037 -19.553 1.00 44.53 H new ATOM 1463 N ASP A 86 -3.697 -3.977 -16.071 1.00 50.42 N ATOM 1464 CA ASP A 86 -4.874 -3.126 -16.307 1.00 55.44 C ATOM 1465 C ASP A 86 -4.478 -1.664 -16.147 1.00 53.23 C ATOM 1466 O ASP A 86 -4.056 -1.244 -15.067 1.00 21.03 O ATOM 1467 CB ASP A 86 -6.033 -3.457 -15.328 1.00 42.54 C ATOM 1468 CG ASP A 86 -7.203 -2.453 -15.417 1.00 4.41 C ATOM 1469 OD1 ASP A 86 -7.813 -2.331 -16.499 1.00 72.33 O ATOM 1470 OD2 ASP A 86 -7.500 -1.767 -14.416 1.00 14.32 O ATOM 0 H ASP A 86 -3.084 -3.628 -15.334 1.00 50.42 H new ATOM 0 HA ASP A 86 -5.228 -3.316 -17.320 1.00 55.44 H new ATOM 0 HB2 ASP A 86 -6.405 -4.460 -15.540 1.00 42.54 H new ATOM 0 HB3 ASP A 86 -5.648 -3.468 -14.308 1.00 42.54 H new ATOM 1475 N GLU A 87 -4.594 -0.898 -17.235 1.00 1.24 N ATOM 1476 CA GLU A 87 -4.443 0.564 -17.200 1.00 31.24 C ATOM 1477 C GLU A 87 -5.783 1.219 -16.914 1.00 41.31 C ATOM 1478 O GLU A 87 -5.831 2.194 -16.204 1.00 32.25 O ATOM 1479 CB GLU A 87 -3.826 1.157 -18.509 1.00 13.43 C ATOM 1480 CG GLU A 87 -4.651 0.999 -19.805 1.00 73.01 C ATOM 1481 CD GLU A 87 -4.766 -0.451 -20.281 1.00 43.40 C ATOM 1482 OE1 GLU A 87 -3.807 -0.963 -20.890 1.00 72.44 O ATOM 1483 OE2 GLU A 87 -5.799 -1.095 -20.020 1.00 70.02 O ATOM 0 H GLU A 87 -4.795 -1.270 -18.163 1.00 1.24 H new ATOM 0 HA GLU A 87 -3.739 0.783 -16.398 1.00 31.24 H new ATOM 0 HB2 GLU A 87 -3.647 2.220 -18.348 1.00 13.43 H new ATOM 0 HB3 GLU A 87 -2.854 0.691 -18.667 1.00 13.43 H new ATOM 0 HG2 GLU A 87 -5.651 1.400 -19.641 1.00 73.01 H new ATOM 0 HG3 GLU A 87 -4.193 1.597 -20.593 1.00 73.01 H new ATOM 1490 N ASN A 88 -6.873 0.638 -17.435 1.00 12.44 N ATOM 1491 CA ASN A 88 -8.181 1.316 -17.470 1.00 65.24 C ATOM 1492 C ASN A 88 -8.658 1.752 -16.068 1.00 4.24 C ATOM 1493 O ASN A 88 -8.690 2.956 -15.779 1.00 11.22 O ATOM 1494 CB ASN A 88 -9.234 0.425 -18.180 1.00 30.24 C ATOM 1495 CG ASN A 88 -10.632 1.062 -18.248 1.00 54.24 C ATOM 1496 OD1 ASN A 88 -10.960 1.774 -19.194 1.00 21.23 O ATOM 1497 ND2 ASN A 88 -11.456 0.829 -17.232 1.00 45.00 N ATOM 0 H ASN A 88 -6.877 -0.299 -17.838 1.00 12.44 H new ATOM 0 HA ASN A 88 -8.059 2.232 -18.048 1.00 65.24 H new ATOM 0 HB2 ASN A 88 -8.892 0.209 -19.192 1.00 30.24 H new ATOM 0 HB3 ASN A 88 -9.303 -0.529 -17.657 1.00 30.24 H new ATOM 0 HD21 ASN A 88 -12.387 1.245 -17.225 1.00 45.00 H new ATOM 0 HD22 ASN A 88 -11.157 0.234 -16.459 1.00 45.00 H new ATOM 1504 N GLU A 89 -8.980 0.789 -15.193 1.00 22.13 N ATOM 1505 CA GLU A 89 -9.552 1.104 -13.873 1.00 50.33 C ATOM 1506 C GLU A 89 -8.463 1.543 -12.878 1.00 63.23 C ATOM 1507 O GLU A 89 -8.710 2.430 -12.061 1.00 24.22 O ATOM 1508 CB GLU A 89 -10.376 -0.081 -13.303 1.00 42.11 C ATOM 1509 CG GLU A 89 -11.129 0.267 -12.004 1.00 23.11 C ATOM 1510 CD GLU A 89 -12.072 -0.840 -11.512 1.00 52.13 C ATOM 1511 OE1 GLU A 89 -13.201 -0.939 -12.036 1.00 2.11 O ATOM 1512 OE2 GLU A 89 -11.702 -1.589 -10.587 1.00 25.22 O ATOM 0 H GLU A 89 -8.856 -0.208 -15.372 1.00 22.13 H new ATOM 0 HA GLU A 89 -10.235 1.941 -14.015 1.00 50.33 H new ATOM 0 HB2 GLU A 89 -11.095 -0.409 -14.054 1.00 42.11 H new ATOM 0 HB3 GLU A 89 -9.708 -0.921 -13.113 1.00 42.11 H new ATOM 0 HG2 GLU A 89 -10.402 0.484 -11.222 1.00 23.11 H new ATOM 0 HG3 GLU A 89 -11.707 1.177 -12.164 1.00 23.11 H new ATOM 1519 N LEU A 90 -7.258 0.935 -12.957 1.00 22.23 N ATOM 1520 CA LEU A 90 -6.142 1.269 -12.045 1.00 21.23 C ATOM 1521 C LEU A 90 -5.658 2.723 -12.238 1.00 62.23 C ATOM 1522 O LEU A 90 -5.441 3.432 -11.254 1.00 60.12 O ATOM 1523 CB LEU A 90 -4.952 0.275 -12.197 1.00 32.30 C ATOM 1524 CG LEU A 90 -5.214 -1.200 -11.743 1.00 23.13 C ATOM 1525 CD1 LEU A 90 -3.929 -2.056 -11.862 1.00 73.41 C ATOM 1526 CD2 LEU A 90 -5.801 -1.261 -10.308 1.00 21.15 C ATOM 0 H LEU A 90 -7.034 0.212 -13.641 1.00 22.23 H new ATOM 0 HA LEU A 90 -6.532 1.175 -11.031 1.00 21.23 H new ATOM 0 HB2 LEU A 90 -4.650 0.261 -13.244 1.00 32.30 H new ATOM 0 HB3 LEU A 90 -4.108 0.663 -11.627 1.00 32.30 H new ATOM 0 HG LEU A 90 -5.960 -1.622 -12.416 1.00 23.13 H new ATOM 0 HD11 LEU A 90 -4.140 -3.076 -11.540 1.00 73.41 H new ATOM 0 HD12 LEU A 90 -3.593 -2.065 -12.899 1.00 73.41 H new ATOM 0 HD13 LEU A 90 -3.149 -1.631 -11.231 1.00 73.41 H new ATOM 0 HD21 LEU A 90 -5.970 -2.301 -10.028 1.00 21.15 H new ATOM 0 HD22 LEU A 90 -5.100 -0.806 -9.608 1.00 21.15 H new ATOM 0 HD23 LEU A 90 -6.746 -0.719 -10.278 1.00 21.15 H new ATOM 1538 N GLU A 91 -5.523 3.164 -13.509 1.00 73.22 N ATOM 1539 CA GLU A 91 -5.044 4.530 -13.844 1.00 14.33 C ATOM 1540 C GLU A 91 -6.107 5.588 -13.487 1.00 32.13 C ATOM 1541 O GLU A 91 -5.783 6.756 -13.347 1.00 64.14 O ATOM 1542 CB GLU A 91 -4.638 4.643 -15.338 1.00 72.15 C ATOM 1543 CG GLU A 91 -3.719 5.819 -15.686 1.00 31.14 C ATOM 1544 CD GLU A 91 -3.392 5.910 -17.186 1.00 52.52 C ATOM 1545 OE1 GLU A 91 -2.484 5.189 -17.653 1.00 44.12 O ATOM 1546 OE2 GLU A 91 -4.051 6.688 -17.909 1.00 4.02 O ATOM 0 H GLU A 91 -5.740 2.592 -14.326 1.00 73.22 H new ATOM 0 HA GLU A 91 -4.154 4.720 -13.244 1.00 14.33 H new ATOM 0 HB2 GLU A 91 -4.142 3.718 -15.632 1.00 72.15 H new ATOM 0 HB3 GLU A 91 -5.545 4.724 -15.938 1.00 72.15 H new ATOM 0 HG2 GLU A 91 -4.192 6.748 -15.367 1.00 31.14 H new ATOM 0 HG3 GLU A 91 -2.790 5.725 -15.123 1.00 31.14 H new ATOM 1553 N GLU A 92 -7.372 5.163 -13.352 1.00 23.22 N ATOM 1554 CA GLU A 92 -8.455 6.030 -12.851 1.00 42.24 C ATOM 1555 C GLU A 92 -8.436 6.079 -11.311 1.00 63.44 C ATOM 1556 O GLU A 92 -8.527 7.153 -10.722 1.00 25.52 O ATOM 1557 CB GLU A 92 -9.828 5.528 -13.373 1.00 13.05 C ATOM 1558 CG GLU A 92 -10.049 5.720 -14.883 1.00 32.14 C ATOM 1559 CD GLU A 92 -10.044 7.197 -15.314 1.00 2.14 C ATOM 1560 OE1 GLU A 92 -11.093 7.861 -15.184 1.00 20.30 O ATOM 1561 OE2 GLU A 92 -8.995 7.706 -15.774 1.00 43.41 O ATOM 0 H GLU A 92 -7.674 4.217 -13.584 1.00 23.22 H new ATOM 0 HA GLU A 92 -8.296 7.042 -13.223 1.00 42.24 H new ATOM 0 HB2 GLU A 92 -9.926 4.468 -13.137 1.00 13.05 H new ATOM 0 HB3 GLU A 92 -10.619 6.049 -12.834 1.00 13.05 H new ATOM 0 HG2 GLU A 92 -9.270 5.187 -15.428 1.00 32.14 H new ATOM 0 HG3 GLU A 92 -11.001 5.269 -15.164 1.00 32.14 H new ATOM 1568 N PHE A 93 -8.278 4.893 -10.694 1.00 25.31 N ATOM 1569 CA PHE A 93 -8.297 4.698 -9.227 1.00 33.30 C ATOM 1570 C PHE A 93 -7.222 5.567 -8.553 1.00 73.11 C ATOM 1571 O PHE A 93 -7.510 6.320 -7.611 1.00 64.35 O ATOM 1572 CB PHE A 93 -8.074 3.188 -8.911 1.00 2.34 C ATOM 1573 CG PHE A 93 -8.197 2.780 -7.434 1.00 12.52 C ATOM 1574 CD1 PHE A 93 -9.449 2.658 -6.828 1.00 21.43 C ATOM 1575 CD2 PHE A 93 -7.069 2.494 -6.660 1.00 62.14 C ATOM 1576 CE1 PHE A 93 -9.565 2.263 -5.510 1.00 74.33 C ATOM 1577 CE2 PHE A 93 -7.188 2.103 -5.339 1.00 32.11 C ATOM 1578 CZ PHE A 93 -8.436 1.988 -4.761 1.00 71.13 C ATOM 0 H PHE A 93 -8.131 4.025 -11.209 1.00 25.31 H new ATOM 0 HA PHE A 93 -9.265 5.006 -8.831 1.00 33.30 H new ATOM 0 HB2 PHE A 93 -8.793 2.607 -9.488 1.00 2.34 H new ATOM 0 HB3 PHE A 93 -7.081 2.907 -9.263 1.00 2.34 H new ATOM 0 HD1 PHE A 93 -10.340 2.876 -7.399 1.00 21.43 H new ATOM 0 HD2 PHE A 93 -6.087 2.580 -7.101 1.00 62.14 H new ATOM 0 HE1 PHE A 93 -10.543 2.168 -5.062 1.00 74.33 H new ATOM 0 HE2 PHE A 93 -6.303 1.887 -4.759 1.00 32.11 H new ATOM 0 HZ PHE A 93 -8.530 1.685 -3.729 1.00 71.13 H new ATOM 1588 N LYS A 94 -5.998 5.492 -9.113 1.00 4.51 N ATOM 1589 CA LYS A 94 -4.817 6.208 -8.601 1.00 53.03 C ATOM 1590 C LYS A 94 -4.983 7.741 -8.648 1.00 4.03 C ATOM 1591 O LYS A 94 -4.341 8.448 -7.884 1.00 34.12 O ATOM 1592 CB LYS A 94 -3.526 5.738 -9.352 1.00 72.21 C ATOM 1593 CG LYS A 94 -3.513 5.863 -10.896 1.00 5.44 C ATOM 1594 CD LYS A 94 -3.158 7.267 -11.437 1.00 41.05 C ATOM 1595 CE LYS A 94 -1.715 7.676 -11.140 1.00 42.13 C ATOM 1596 NZ LYS A 94 -1.429 9.040 -11.650 1.00 53.02 N ATOM 0 H LYS A 94 -5.802 4.928 -9.940 1.00 4.51 H new ATOM 0 HA LYS A 94 -4.713 5.953 -7.546 1.00 53.03 H new ATOM 0 HB2 LYS A 94 -2.683 6.308 -8.961 1.00 72.21 H new ATOM 0 HB3 LYS A 94 -3.350 4.693 -9.097 1.00 72.21 H new ATOM 0 HG2 LYS A 94 -2.798 5.145 -11.297 1.00 5.44 H new ATOM 0 HG3 LYS A 94 -4.495 5.582 -11.276 1.00 5.44 H new ATOM 0 HD2 LYS A 94 -3.321 7.287 -12.515 1.00 41.05 H new ATOM 0 HD3 LYS A 94 -3.835 8.001 -10.999 1.00 41.05 H new ATOM 0 HE2 LYS A 94 -1.538 7.642 -10.065 1.00 42.13 H new ATOM 0 HE3 LYS A 94 -1.030 6.962 -11.598 1.00 42.13 H new ATOM 0 HZ1 LYS A 94 -0.443 9.291 -11.435 1.00 53.02 H new ATOM 0 HZ2 LYS A 94 -1.575 9.064 -12.679 1.00 53.02 H new ATOM 0 HZ3 LYS A 94 -2.068 9.722 -11.194 1.00 53.02 H new ATOM 1610 N ARG A 95 -5.851 8.244 -9.548 1.00 33.34 N ATOM 1611 CA ARG A 95 -6.127 9.693 -9.674 1.00 44.01 C ATOM 1612 C ARG A 95 -6.825 10.222 -8.412 1.00 12.13 C ATOM 1613 O ARG A 95 -6.517 11.318 -7.942 1.00 23.31 O ATOM 1614 CB ARG A 95 -6.984 9.976 -10.934 1.00 63.54 C ATOM 1615 CG ARG A 95 -6.295 9.576 -12.253 1.00 4.45 C ATOM 1616 CD ARG A 95 -7.193 9.749 -13.488 1.00 4.03 C ATOM 1617 NE ARG A 95 -7.487 11.160 -13.778 1.00 62.42 N ATOM 1618 CZ ARG A 95 -8.195 11.607 -14.829 1.00 62.43 C ATOM 1619 NH1 ARG A 95 -8.719 10.757 -15.723 1.00 23.51 N ATOM 1620 NH2 ARG A 95 -8.369 12.911 -14.976 1.00 32.13 N ATOM 0 H ARG A 95 -6.377 7.666 -10.203 1.00 33.34 H new ATOM 0 HA ARG A 95 -5.177 10.216 -9.782 1.00 44.01 H new ATOM 0 HB2 ARG A 95 -7.928 9.437 -10.849 1.00 63.54 H new ATOM 0 HB3 ARG A 95 -7.225 11.038 -10.968 1.00 63.54 H new ATOM 0 HG2 ARG A 95 -5.395 10.177 -12.381 1.00 4.45 H new ATOM 0 HG3 ARG A 95 -5.977 8.535 -12.187 1.00 4.45 H new ATOM 0 HD2 ARG A 95 -6.707 9.298 -14.353 1.00 4.03 H new ATOM 0 HD3 ARG A 95 -8.128 9.211 -13.331 1.00 4.03 H new ATOM 0 HE ARG A 95 -7.124 11.857 -13.128 1.00 62.42 H new ATOM 0 HH11 ARG A 95 -8.583 9.752 -15.612 1.00 23.51 H new ATOM 0 HH12 ARG A 95 -9.254 11.115 -16.515 1.00 23.51 H new ATOM 0 HH21 ARG A 95 -7.968 13.559 -14.297 1.00 32.13 H new ATOM 0 HH22 ARG A 95 -8.904 13.268 -15.768 1.00 32.13 H new ATOM 1634 N LYS A 96 -7.736 9.405 -7.860 1.00 31.35 N ATOM 1635 CA LYS A 96 -8.531 9.749 -6.667 1.00 72.02 C ATOM 1636 C LYS A 96 -7.685 9.593 -5.389 1.00 31.33 C ATOM 1637 O LYS A 96 -7.884 10.326 -4.415 1.00 21.12 O ATOM 1638 CB LYS A 96 -9.815 8.867 -6.583 1.00 3.55 C ATOM 1639 CG LYS A 96 -10.922 9.175 -7.633 1.00 33.14 C ATOM 1640 CD LYS A 96 -10.507 8.845 -9.079 1.00 4.24 C ATOM 1641 CE LYS A 96 -11.594 9.162 -10.111 1.00 24.40 C ATOM 1642 NZ LYS A 96 -12.837 8.384 -9.879 1.00 43.50 N ATOM 0 H LYS A 96 -7.944 8.478 -8.232 1.00 31.35 H new ATOM 0 HA LYS A 96 -8.838 10.791 -6.753 1.00 72.02 H new ATOM 0 HB2 LYS A 96 -9.522 7.822 -6.688 1.00 3.55 H new ATOM 0 HB3 LYS A 96 -10.245 8.979 -5.587 1.00 3.55 H new ATOM 0 HG2 LYS A 96 -11.818 8.607 -7.382 1.00 33.14 H new ATOM 0 HG3 LYS A 96 -11.186 10.231 -7.571 1.00 33.14 H new ATOM 0 HD2 LYS A 96 -9.606 9.406 -9.327 1.00 4.24 H new ATOM 0 HD3 LYS A 96 -10.252 7.787 -9.144 1.00 4.24 H new ATOM 0 HE2 LYS A 96 -11.823 10.227 -10.078 1.00 24.40 H new ATOM 0 HE3 LYS A 96 -11.216 8.948 -11.111 1.00 24.40 H new ATOM 0 HZ1 LYS A 96 -13.498 8.542 -10.666 1.00 43.50 H new ATOM 0 HZ2 LYS A 96 -12.607 7.372 -9.818 1.00 43.50 H new ATOM 0 HZ3 LYS A 96 -13.279 8.692 -8.989 1.00 43.50 H new ATOM 1656 N ILE A 97 -6.732 8.642 -5.410 1.00 13.31 N ATOM 1657 CA ILE A 97 -5.830 8.388 -4.267 1.00 32.15 C ATOM 1658 C ILE A 97 -4.824 9.552 -4.139 1.00 51.54 C ATOM 1659 O ILE A 97 -4.602 10.093 -3.044 1.00 74.02 O ATOM 1660 CB ILE A 97 -5.065 7.018 -4.432 1.00 65.34 C ATOM 1661 CG1 ILE A 97 -6.054 5.854 -4.784 1.00 30.42 C ATOM 1662 CG2 ILE A 97 -4.228 6.676 -3.180 1.00 3.41 C ATOM 1663 CD1 ILE A 97 -7.264 5.690 -3.865 1.00 52.42 C ATOM 0 H ILE A 97 -6.565 8.033 -6.211 1.00 13.31 H new ATOM 0 HA ILE A 97 -6.431 8.322 -3.360 1.00 32.15 H new ATOM 0 HB ILE A 97 -4.372 7.134 -5.266 1.00 65.34 H new ATOM 0 HG12 ILE A 97 -6.415 6.008 -5.801 1.00 30.42 H new ATOM 0 HG13 ILE A 97 -5.495 4.918 -4.783 1.00 30.42 H new ATOM 0 HG21 ILE A 97 -3.717 5.726 -3.333 1.00 3.41 H new ATOM 0 HG22 ILE A 97 -3.492 7.461 -3.009 1.00 3.41 H new ATOM 0 HG23 ILE A 97 -4.884 6.599 -2.313 1.00 3.41 H new ATOM 0 HD11 ILE A 97 -7.872 4.854 -4.210 1.00 52.42 H new ATOM 0 HD12 ILE A 97 -6.924 5.496 -2.848 1.00 52.42 H new ATOM 0 HD13 ILE A 97 -7.859 6.603 -3.881 1.00 52.42 H new ATOM 1675 N GLU A 98 -4.263 9.946 -5.295 1.00 35.30 N ATOM 1676 CA GLU A 98 -3.334 11.086 -5.419 1.00 33.12 C ATOM 1677 C GLU A 98 -4.075 12.414 -5.158 1.00 2.44 C ATOM 1678 O GLU A 98 -3.488 13.358 -4.628 1.00 45.31 O ATOM 1679 CB GLU A 98 -2.670 11.042 -6.833 1.00 23.41 C ATOM 1680 CG GLU A 98 -1.594 12.123 -7.146 1.00 32.54 C ATOM 1681 CD GLU A 98 -2.159 13.437 -7.731 1.00 51.33 C ATOM 1682 OE1 GLU A 98 -2.680 13.412 -8.865 1.00 51.34 O ATOM 1683 OE2 GLU A 98 -2.067 14.500 -7.080 1.00 45.34 O ATOM 0 H GLU A 98 -4.443 9.476 -6.182 1.00 35.30 H new ATOM 0 HA GLU A 98 -2.546 11.017 -4.669 1.00 33.12 H new ATOM 0 HB2 GLU A 98 -2.211 10.061 -6.961 1.00 23.41 H new ATOM 0 HB3 GLU A 98 -3.459 11.124 -7.580 1.00 23.41 H new ATOM 0 HG2 GLU A 98 -1.050 12.352 -6.230 1.00 32.54 H new ATOM 0 HG3 GLU A 98 -0.873 11.707 -7.850 1.00 32.54 H new ATOM 1690 N SER A 99 -5.383 12.454 -5.489 1.00 12.12 N ATOM 1691 CA SER A 99 -6.245 13.634 -5.256 1.00 14.23 C ATOM 1692 C SER A 99 -6.394 13.933 -3.752 1.00 30.54 C ATOM 1693 O SER A 99 -6.481 15.093 -3.347 1.00 71.14 O ATOM 1694 CB SER A 99 -7.631 13.419 -5.891 1.00 54.42 C ATOM 1695 OG SER A 99 -8.472 14.551 -5.728 1.00 54.33 O ATOM 0 H SER A 99 -5.871 11.671 -5.924 1.00 12.12 H new ATOM 0 HA SER A 99 -5.766 14.493 -5.726 1.00 14.23 H new ATOM 0 HB2 SER A 99 -7.514 13.204 -6.953 1.00 54.42 H new ATOM 0 HB3 SER A 99 -8.105 12.547 -5.440 1.00 54.42 H new ATOM 0 HG SER A 99 -9.341 14.376 -6.146 1.00 54.33 H new ATOM 1701 N GLN A 100 -6.424 12.862 -2.942 1.00 24.42 N ATOM 1702 CA GLN A 100 -6.500 12.951 -1.469 1.00 23.40 C ATOM 1703 C GLN A 100 -5.118 13.254 -0.842 1.00 71.41 C ATOM 1704 O GLN A 100 -5.013 13.458 0.376 1.00 14.12 O ATOM 1705 CB GLN A 100 -7.074 11.629 -0.908 1.00 12.42 C ATOM 1706 CG GLN A 100 -8.522 11.323 -1.335 1.00 52.33 C ATOM 1707 CD GLN A 100 -8.994 9.935 -0.892 1.00 15.41 C ATOM 1708 OE1 GLN A 100 -9.542 9.762 0.199 1.00 21.53 O ATOM 1709 NE2 GLN A 100 -8.759 8.932 -1.730 1.00 55.52 N ATOM 0 H GLN A 100 -6.396 11.903 -3.290 1.00 24.42 H new ATOM 0 HA GLN A 100 -7.159 13.778 -1.206 1.00 23.40 H new ATOM 0 HB2 GLN A 100 -6.434 10.807 -1.227 1.00 12.42 H new ATOM 0 HB3 GLN A 100 -7.030 11.663 0.181 1.00 12.42 H new ATOM 0 HG2 GLN A 100 -9.186 12.078 -0.915 1.00 52.33 H new ATOM 0 HG3 GLN A 100 -8.599 11.398 -2.420 1.00 52.33 H new ATOM 0 HE21 GLN A 100 -8.303 9.111 -2.625 1.00 55.52 H new ATOM 0 HE22 GLN A 100 -9.034 7.982 -1.479 1.00 55.52 H new ATOM 1718 N GLY A 101 -4.070 13.268 -1.686 1.00 24.22 N ATOM 1719 CA GLY A 101 -2.713 13.628 -1.265 1.00 61.10 C ATOM 1720 C GLY A 101 -1.884 12.434 -0.831 1.00 13.34 C ATOM 1721 O GLY A 101 -0.892 12.598 -0.119 1.00 61.43 O ATOM 0 H GLY A 101 -4.145 13.030 -2.675 1.00 24.22 H new ATOM 0 HA2 GLY A 101 -2.207 14.134 -2.087 1.00 61.10 H new ATOM 0 HA3 GLY A 101 -2.772 14.339 -0.441 1.00 61.10 H new ATOM 1725 N TYR A 102 -2.290 11.223 -1.247 1.00 43.44 N ATOM 1726 CA TYR A 102 -1.533 9.993 -0.958 1.00 51.14 C ATOM 1727 C TYR A 102 -0.607 9.662 -2.132 1.00 21.40 C ATOM 1728 O TYR A 102 -0.905 9.993 -3.287 1.00 72.14 O ATOM 1729 CB TYR A 102 -2.482 8.800 -0.689 1.00 72.21 C ATOM 1730 CG TYR A 102 -3.504 9.036 0.431 1.00 61.11 C ATOM 1731 CD1 TYR A 102 -3.099 9.472 1.699 1.00 60.14 C ATOM 1732 CD2 TYR A 102 -4.871 8.832 0.223 1.00 41.41 C ATOM 1733 CE1 TYR A 102 -4.018 9.692 2.704 1.00 71.21 C ATOM 1734 CE2 TYR A 102 -5.788 9.053 1.228 1.00 50.14 C ATOM 1735 CZ TYR A 102 -5.357 9.482 2.467 1.00 2.40 C ATOM 1736 OH TYR A 102 -6.271 9.716 3.465 1.00 12.33 O ATOM 0 H TYR A 102 -3.142 11.069 -1.787 1.00 43.44 H new ATOM 0 HA TYR A 102 -0.939 10.166 -0.061 1.00 51.14 H new ATOM 0 HB2 TYR A 102 -3.018 8.565 -1.608 1.00 72.21 H new ATOM 0 HB3 TYR A 102 -1.882 7.925 -0.437 1.00 72.21 H new ATOM 0 HD1 TYR A 102 -2.050 9.639 1.893 1.00 60.14 H new ATOM 0 HD2 TYR A 102 -5.215 8.495 -0.744 1.00 41.41 H new ATOM 0 HE1 TYR A 102 -3.687 10.029 3.675 1.00 71.21 H new ATOM 0 HE2 TYR A 102 -6.840 8.891 1.047 1.00 50.14 H new ATOM 0 HH TYR A 102 -6.994 9.057 3.408 1.00 12.33 H new ATOM 1746 N GLU A 103 0.509 8.998 -1.817 1.00 42.14 N ATOM 1747 CA GLU A 103 1.458 8.491 -2.820 1.00 40.41 C ATOM 1748 C GLU A 103 0.861 7.219 -3.447 1.00 13.14 C ATOM 1749 O GLU A 103 0.436 6.321 -2.719 1.00 32.11 O ATOM 1750 CB GLU A 103 2.848 8.205 -2.145 1.00 13.03 C ATOM 1751 CG GLU A 103 4.037 8.995 -2.726 1.00 31.14 C ATOM 1752 CD GLU A 103 4.310 8.688 -4.209 1.00 40.35 C ATOM 1753 OE1 GLU A 103 4.888 7.624 -4.513 1.00 14.12 O ATOM 1754 OE2 GLU A 103 3.966 9.519 -5.079 1.00 33.43 O ATOM 0 H GLU A 103 0.783 8.795 -0.856 1.00 42.14 H new ATOM 0 HA GLU A 103 1.623 9.230 -3.604 1.00 40.41 H new ATOM 0 HB2 GLU A 103 2.770 8.429 -1.081 1.00 13.03 H new ATOM 0 HB3 GLU A 103 3.063 7.140 -2.232 1.00 13.03 H new ATOM 0 HG2 GLU A 103 3.844 10.062 -2.613 1.00 31.14 H new ATOM 0 HG3 GLU A 103 4.932 8.770 -2.146 1.00 31.14 H new ATOM 1761 N VAL A 104 0.756 7.186 -4.780 1.00 52.35 N ATOM 1762 CA VAL A 104 0.273 6.007 -5.516 1.00 70.14 C ATOM 1763 C VAL A 104 1.049 5.829 -6.828 1.00 13.21 C ATOM 1764 O VAL A 104 1.400 6.814 -7.489 1.00 14.34 O ATOM 1765 CB VAL A 104 -1.271 6.097 -5.777 1.00 14.34 C ATOM 1766 CG1 VAL A 104 -1.633 7.368 -6.574 1.00 64.51 C ATOM 1767 CG2 VAL A 104 -1.817 4.809 -6.447 1.00 71.41 C ATOM 0 H VAL A 104 1.002 7.973 -5.380 1.00 52.35 H new ATOM 0 HA VAL A 104 0.451 5.127 -4.898 1.00 70.14 H new ATOM 0 HB VAL A 104 -1.764 6.177 -4.808 1.00 14.34 H new ATOM 0 HG11 VAL A 104 -2.710 7.400 -6.738 1.00 64.51 H new ATOM 0 HG12 VAL A 104 -1.325 8.250 -6.012 1.00 64.51 H new ATOM 0 HG13 VAL A 104 -1.120 7.353 -7.536 1.00 64.51 H new ATOM 0 HG21 VAL A 104 -2.890 4.911 -6.611 1.00 71.41 H new ATOM 0 HG22 VAL A 104 -1.317 4.656 -7.403 1.00 71.41 H new ATOM 0 HG23 VAL A 104 -1.629 3.954 -5.798 1.00 71.41 H new ATOM 1777 N ARG A 105 1.321 4.563 -7.201 1.00 11.45 N ATOM 1778 CA ARG A 105 2.029 4.198 -8.440 1.00 35.34 C ATOM 1779 C ARG A 105 1.297 3.042 -9.132 1.00 75.20 C ATOM 1780 O ARG A 105 0.766 2.156 -8.462 1.00 32.13 O ATOM 1781 CB ARG A 105 3.503 3.787 -8.140 1.00 31.34 C ATOM 1782 CG ARG A 105 4.352 4.877 -7.453 1.00 40.00 C ATOM 1783 CD ARG A 105 4.547 6.134 -8.312 1.00 74.33 C ATOM 1784 NE ARG A 105 5.039 7.251 -7.503 1.00 23.43 N ATOM 1785 CZ ARG A 105 5.597 8.370 -7.969 1.00 34.00 C ATOM 1786 NH1 ARG A 105 5.759 8.571 -9.271 1.00 41.33 N ATOM 1787 NH2 ARG A 105 5.968 9.305 -7.120 1.00 52.25 N ATOM 0 H ARG A 105 1.050 3.755 -6.641 1.00 11.45 H new ATOM 0 HA ARG A 105 2.043 5.067 -9.098 1.00 35.34 H new ATOM 0 HB2 ARG A 105 3.496 2.899 -7.508 1.00 31.34 H new ATOM 0 HB3 ARG A 105 3.985 3.507 -9.077 1.00 31.34 H new ATOM 0 HG2 ARG A 105 3.876 5.159 -6.514 1.00 40.00 H new ATOM 0 HG3 ARG A 105 5.329 4.462 -7.203 1.00 40.00 H new ATOM 0 HD2 ARG A 105 5.253 5.924 -9.116 1.00 74.33 H new ATOM 0 HD3 ARG A 105 3.602 6.408 -8.781 1.00 74.33 H new ATOM 0 HE ARG A 105 4.947 7.166 -6.491 1.00 23.43 H new ATOM 0 HH11 ARG A 105 5.454 7.862 -9.938 1.00 41.33 H new ATOM 0 HH12 ARG A 105 6.188 9.434 -9.604 1.00 41.33 H new ATOM 0 HH21 ARG A 105 5.828 9.170 -6.119 1.00 52.25 H new ATOM 0 HH22 ARG A 105 6.396 10.165 -7.463 1.00 52.25 H new ATOM 1801 N LYS A 106 1.274 3.075 -10.464 1.00 25.12 N ATOM 1802 CA LYS A 106 0.715 2.014 -11.308 1.00 52.11 C ATOM 1803 C LYS A 106 1.898 1.238 -11.937 1.00 21.32 C ATOM 1804 O LYS A 106 2.825 1.848 -12.487 1.00 64.25 O ATOM 1805 CB LYS A 106 -0.211 2.666 -12.409 1.00 64.12 C ATOM 1806 CG LYS A 106 -1.140 1.724 -13.241 1.00 22.45 C ATOM 1807 CD LYS A 106 -0.384 0.639 -14.057 1.00 5.10 C ATOM 1808 CE LYS A 106 -1.171 0.071 -15.228 1.00 60.14 C ATOM 1809 NZ LYS A 106 -1.317 1.064 -16.320 1.00 24.12 N ATOM 0 H LYS A 106 1.651 3.856 -11.000 1.00 25.12 H new ATOM 0 HA LYS A 106 0.104 1.320 -10.731 1.00 52.11 H new ATOM 0 HB2 LYS A 106 -0.841 3.407 -11.918 1.00 64.12 H new ATOM 0 HB3 LYS A 106 0.430 3.204 -13.107 1.00 64.12 H new ATOM 0 HG2 LYS A 106 -1.839 1.232 -12.564 1.00 22.45 H new ATOM 0 HG3 LYS A 106 -1.733 2.330 -13.926 1.00 22.45 H new ATOM 0 HD2 LYS A 106 0.545 1.067 -14.433 1.00 5.10 H new ATOM 0 HD3 LYS A 106 -0.112 -0.177 -13.388 1.00 5.10 H new ATOM 0 HE2 LYS A 106 -0.668 -0.818 -15.608 1.00 60.14 H new ATOM 0 HE3 LYS A 106 -2.157 -0.243 -14.886 1.00 60.14 H new ATOM 0 HZ1 LYS A 106 -1.509 0.570 -17.215 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 -2.106 1.706 -16.102 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 -0.438 1.613 -16.410 1.00 24.12 H new ATOM 1823 N VAL A 107 1.841 -0.103 -11.851 1.00 70.44 N ATOM 1824 CA VAL A 107 2.743 -1.023 -12.570 1.00 2.44 C ATOM 1825 C VAL A 107 1.937 -2.223 -13.117 1.00 3.13 C ATOM 1826 O VAL A 107 0.772 -2.427 -12.748 1.00 3.32 O ATOM 1827 CB VAL A 107 3.922 -1.541 -11.661 1.00 22.12 C ATOM 1828 CG1 VAL A 107 4.887 -0.408 -11.251 1.00 5.45 C ATOM 1829 CG2 VAL A 107 3.380 -2.269 -10.423 1.00 3.01 C ATOM 0 H VAL A 107 1.156 -0.587 -11.271 1.00 70.44 H new ATOM 0 HA VAL A 107 3.189 -0.465 -13.393 1.00 2.44 H new ATOM 0 HB VAL A 107 4.496 -2.250 -12.258 1.00 22.12 H new ATOM 0 HG11 VAL A 107 5.682 -0.815 -10.626 1.00 5.45 H new ATOM 0 HG12 VAL A 107 5.322 0.041 -12.144 1.00 5.45 H new ATOM 0 HG13 VAL A 107 4.340 0.352 -10.693 1.00 5.45 H new ATOM 0 HG21 VAL A 107 4.213 -2.617 -9.812 1.00 3.01 H new ATOM 0 HG22 VAL A 107 2.763 -1.585 -9.840 1.00 3.01 H new ATOM 0 HG23 VAL A 107 2.779 -3.122 -10.737 1.00 3.01 H new ATOM 1839 N THR A 108 2.564 -2.997 -14.006 1.00 72.12 N ATOM 1840 CA THR A 108 1.982 -4.213 -14.596 1.00 23.10 C ATOM 1841 C THR A 108 2.877 -5.420 -14.284 1.00 20.02 C ATOM 1842 O THR A 108 2.390 -6.469 -13.857 1.00 10.13 O ATOM 1843 CB THR A 108 1.811 -4.071 -16.150 1.00 23.53 C ATOM 1844 OG1 THR A 108 3.039 -3.613 -16.736 1.00 71.33 O ATOM 1845 CG2 THR A 108 0.685 -3.098 -16.532 1.00 12.22 C ATOM 0 H THR A 108 3.505 -2.796 -14.344 1.00 72.12 H new ATOM 0 HA THR A 108 0.995 -4.361 -14.158 1.00 23.10 H new ATOM 0 HB THR A 108 1.546 -5.057 -16.531 1.00 23.53 H new ATOM 0 HG1 THR A 108 3.669 -4.361 -16.802 1.00 71.33 H new ATOM 0 HG21 THR A 108 0.610 -3.037 -17.618 1.00 12.22 H new ATOM 0 HG22 THR A 108 -0.260 -3.456 -16.122 1.00 12.22 H new ATOM 0 HG23 THR A 108 0.905 -2.110 -16.127 1.00 12.22 H new ATOM 1853 N ASP A 109 4.196 -5.250 -14.485 1.00 73.11 N ATOM 1854 CA ASP A 109 5.172 -6.349 -14.381 1.00 42.43 C ATOM 1855 C ASP A 109 5.598 -6.610 -12.926 1.00 21.02 C ATOM 1856 O ASP A 109 5.487 -5.733 -12.057 1.00 62.33 O ATOM 1857 CB ASP A 109 6.407 -6.042 -15.265 1.00 5.44 C ATOM 1858 CG ASP A 109 6.051 -5.880 -16.747 1.00 31.24 C ATOM 1859 OD1 ASP A 109 5.991 -6.892 -17.477 1.00 43.24 O ATOM 1860 OD2 ASP A 109 5.812 -4.736 -17.192 1.00 52.44 O ATOM 0 H ASP A 109 4.614 -4.351 -14.723 1.00 73.11 H new ATOM 0 HA ASP A 109 4.689 -7.258 -14.739 1.00 42.43 H new ATOM 0 HB2 ASP A 109 6.885 -5.129 -14.909 1.00 5.44 H new ATOM 0 HB3 ASP A 109 7.135 -6.846 -15.157 1.00 5.44 H new ATOM 1865 N ASP A 110 6.115 -7.830 -12.705 1.00 22.03 N ATOM 1866 CA ASP A 110 6.540 -8.338 -11.392 1.00 61.13 C ATOM 1867 C ASP A 110 7.789 -7.580 -10.891 1.00 23.43 C ATOM 1868 O ASP A 110 7.756 -6.952 -9.831 1.00 21.42 O ATOM 1869 CB ASP A 110 6.825 -9.864 -11.515 1.00 12.34 C ATOM 1870 CG ASP A 110 7.550 -10.470 -10.299 1.00 33.23 C ATOM 1871 OD1 ASP A 110 8.800 -10.494 -10.297 1.00 35.02 O ATOM 1872 OD2 ASP A 110 6.883 -10.940 -9.349 1.00 32.24 O ATOM 0 H ASP A 110 6.252 -8.507 -13.455 1.00 22.03 H new ATOM 0 HA ASP A 110 5.747 -8.176 -10.662 1.00 61.13 H new ATOM 0 HB2 ASP A 110 5.880 -10.388 -11.659 1.00 12.34 H new ATOM 0 HB3 ASP A 110 7.426 -10.039 -12.407 1.00 12.34 H new ATOM 1877 N GLU A 111 8.876 -7.643 -11.687 1.00 51.32 N ATOM 1878 CA GLU A 111 10.170 -7.006 -11.346 1.00 32.41 C ATOM 1879 C GLU A 111 10.037 -5.470 -11.311 1.00 20.43 C ATOM 1880 O GLU A 111 10.737 -4.786 -10.546 1.00 24.41 O ATOM 1881 CB GLU A 111 11.270 -7.444 -12.350 1.00 43.51 C ATOM 1882 CG GLU A 111 11.021 -7.024 -13.814 1.00 73.10 C ATOM 1883 CD GLU A 111 12.066 -7.571 -14.799 1.00 72.11 C ATOM 1884 OE1 GLU A 111 12.063 -8.794 -15.063 1.00 3.34 O ATOM 1885 OE2 GLU A 111 12.904 -6.791 -15.304 1.00 1.45 O ATOM 0 H GLU A 111 8.885 -8.134 -12.581 1.00 51.32 H new ATOM 0 HA GLU A 111 10.463 -7.337 -10.350 1.00 32.41 H new ATOM 0 HB2 GLU A 111 12.224 -7.028 -12.025 1.00 43.51 H new ATOM 0 HB3 GLU A 111 11.366 -8.529 -12.310 1.00 43.51 H new ATOM 0 HG2 GLU A 111 10.032 -7.368 -14.118 1.00 73.10 H new ATOM 0 HG3 GLU A 111 11.012 -5.936 -13.874 1.00 73.10 H new ATOM 1892 N GLU A 112 9.106 -4.957 -12.133 1.00 14.42 N ATOM 1893 CA GLU A 112 8.769 -3.535 -12.200 1.00 11.43 C ATOM 1894 C GLU A 112 8.068 -3.094 -10.904 1.00 72.10 C ATOM 1895 O GLU A 112 8.298 -1.998 -10.423 1.00 74.23 O ATOM 1896 CB GLU A 112 7.877 -3.272 -13.433 1.00 55.45 C ATOM 1897 CG GLU A 112 7.430 -1.814 -13.626 1.00 14.41 C ATOM 1898 CD GLU A 112 6.487 -1.637 -14.823 1.00 54.05 C ATOM 1899 OE1 GLU A 112 5.402 -2.254 -14.822 1.00 12.41 O ATOM 1900 OE2 GLU A 112 6.826 -0.891 -15.771 1.00 1.51 O ATOM 0 H GLU A 112 8.562 -5.531 -12.777 1.00 14.42 H new ATOM 0 HA GLU A 112 9.682 -2.949 -12.302 1.00 11.43 H new ATOM 0 HB2 GLU A 112 8.417 -3.589 -14.325 1.00 55.45 H new ATOM 0 HB3 GLU A 112 6.989 -3.899 -13.358 1.00 55.45 H new ATOM 0 HG2 GLU A 112 6.930 -1.469 -12.721 1.00 14.41 H new ATOM 0 HG3 GLU A 112 8.309 -1.184 -13.765 1.00 14.41 H new ATOM 1907 N ALA A 113 7.224 -3.968 -10.340 1.00 2.24 N ATOM 1908 CA ALA A 113 6.572 -3.702 -9.044 1.00 31.51 C ATOM 1909 C ALA A 113 7.596 -3.692 -7.900 1.00 65.51 C ATOM 1910 O ALA A 113 7.612 -2.766 -7.086 1.00 74.33 O ATOM 1911 CB ALA A 113 5.473 -4.735 -8.774 1.00 21.22 C ATOM 0 H ALA A 113 6.975 -4.865 -10.757 1.00 2.24 H new ATOM 0 HA ALA A 113 6.115 -2.714 -9.094 1.00 31.51 H new ATOM 0 HB1 ALA A 113 5.003 -4.523 -7.814 1.00 21.22 H new ATOM 0 HB2 ALA A 113 4.724 -4.684 -9.564 1.00 21.22 H new ATOM 0 HB3 ALA A 113 5.910 -5.733 -8.752 1.00 21.22 H new ATOM 1917 N LEU A 114 8.469 -4.716 -7.888 1.00 63.44 N ATOM 1918 CA LEU A 114 9.501 -4.912 -6.849 1.00 1.02 C ATOM 1919 C LEU A 114 10.456 -3.700 -6.749 1.00 71.21 C ATOM 1920 O LEU A 114 10.841 -3.299 -5.642 1.00 10.20 O ATOM 1921 CB LEU A 114 10.308 -6.209 -7.149 1.00 53.13 C ATOM 1922 CG LEU A 114 9.516 -7.555 -7.056 1.00 74.25 C ATOM 1923 CD1 LEU A 114 10.360 -8.743 -7.571 1.00 73.14 C ATOM 1924 CD2 LEU A 114 9.017 -7.814 -5.618 1.00 60.11 C ATOM 0 H LEU A 114 8.479 -5.440 -8.607 1.00 63.44 H new ATOM 0 HA LEU A 114 8.995 -5.008 -5.888 1.00 1.02 H new ATOM 0 HB2 LEU A 114 10.727 -6.127 -8.152 1.00 53.13 H new ATOM 0 HB3 LEU A 114 11.148 -6.258 -6.456 1.00 53.13 H new ATOM 0 HG LEU A 114 8.642 -7.464 -7.701 1.00 74.25 H new ATOM 0 HD11 LEU A 114 9.780 -9.663 -7.492 1.00 73.14 H new ATOM 0 HD12 LEU A 114 10.630 -8.573 -8.613 1.00 73.14 H new ATOM 0 HD13 LEU A 114 11.266 -8.833 -6.971 1.00 73.14 H new ATOM 0 HD21 LEU A 114 8.471 -8.757 -5.587 1.00 60.11 H new ATOM 0 HD22 LEU A 114 9.870 -7.866 -4.941 1.00 60.11 H new ATOM 0 HD23 LEU A 114 8.358 -7.002 -5.310 1.00 60.11 H new ATOM 1936 N LYS A 115 10.812 -3.110 -7.908 1.00 53.43 N ATOM 1937 CA LYS A 115 11.734 -1.954 -7.957 1.00 1.12 C ATOM 1938 C LYS A 115 11.050 -0.672 -7.429 1.00 1.32 C ATOM 1939 O LYS A 115 11.716 0.181 -6.838 1.00 70.22 O ATOM 1940 CB LYS A 115 12.295 -1.733 -9.392 1.00 64.50 C ATOM 1941 CG LYS A 115 11.283 -1.214 -10.432 1.00 53.12 C ATOM 1942 CD LYS A 115 11.860 -0.984 -11.855 1.00 34.32 C ATOM 1943 CE LYS A 115 12.860 0.190 -11.946 1.00 60.33 C ATOM 1944 NZ LYS A 115 14.209 -0.135 -11.401 1.00 11.22 N ATOM 0 H LYS A 115 10.476 -3.414 -8.822 1.00 53.43 H new ATOM 0 HA LYS A 115 12.576 -2.181 -7.303 1.00 1.12 H new ATOM 0 HB2 LYS A 115 13.123 -1.027 -9.334 1.00 64.50 H new ATOM 0 HB3 LYS A 115 12.706 -2.677 -9.751 1.00 64.50 H new ATOM 0 HG2 LYS A 115 10.460 -1.925 -10.501 1.00 53.12 H new ATOM 0 HG3 LYS A 115 10.864 -0.275 -10.071 1.00 53.12 H new ATOM 0 HD2 LYS A 115 12.356 -1.896 -12.187 1.00 34.32 H new ATOM 0 HD3 LYS A 115 11.036 -0.800 -12.545 1.00 34.32 H new ATOM 0 HE2 LYS A 115 12.961 0.491 -12.989 1.00 60.33 H new ATOM 0 HE3 LYS A 115 12.455 1.045 -11.405 1.00 60.33 H new ATOM 0 HZ1 LYS A 115 14.375 0.416 -10.535 1.00 11.22 H new ATOM 0 HZ2 LYS A 115 14.259 -1.150 -11.181 1.00 11.22 H new ATOM 0 HZ3 LYS A 115 14.935 0.102 -12.107 1.00 11.22 H new ATOM 1958 N ILE A 116 9.715 -0.557 -7.631 1.00 35.25 N ATOM 1959 CA ILE A 116 8.930 0.609 -7.152 1.00 63.30 C ATOM 1960 C ILE A 116 8.709 0.529 -5.628 1.00 12.43 C ATOM 1961 O ILE A 116 8.637 1.560 -4.954 1.00 40.23 O ATOM 1962 CB ILE A 116 7.549 0.751 -7.898 1.00 62.51 C ATOM 1963 CG1 ILE A 116 7.751 0.845 -9.439 1.00 33.51 C ATOM 1964 CG2 ILE A 116 6.737 1.969 -7.395 1.00 34.35 C ATOM 1965 CD1 ILE A 116 8.590 2.007 -9.938 1.00 40.22 C ATOM 0 H ILE A 116 9.159 -1.257 -8.122 1.00 35.25 H new ATOM 0 HA ILE A 116 9.515 1.499 -7.381 1.00 63.30 H new ATOM 0 HB ILE A 116 6.977 -0.149 -7.671 1.00 62.51 H new ATOM 0 HG12 ILE A 116 8.212 -0.082 -9.781 1.00 33.51 H new ATOM 0 HG13 ILE A 116 6.770 0.905 -9.910 1.00 33.51 H new ATOM 0 HG21 ILE A 116 5.793 2.026 -7.938 1.00 34.35 H new ATOM 0 HG22 ILE A 116 6.537 1.858 -6.329 1.00 34.35 H new ATOM 0 HG23 ILE A 116 7.308 2.882 -7.563 1.00 34.35 H new ATOM 0 HD11 ILE A 116 8.659 1.966 -11.025 1.00 40.22 H new ATOM 0 HD12 ILE A 116 8.125 2.946 -9.639 1.00 40.22 H new ATOM 0 HD13 ILE A 116 9.590 1.945 -9.508 1.00 40.22 H new ATOM 1977 N VAL A 117 8.624 -0.706 -5.095 1.00 50.24 N ATOM 1978 CA VAL A 117 8.610 -0.953 -3.636 1.00 15.21 C ATOM 1979 C VAL A 117 9.900 -0.384 -2.998 1.00 3.21 C ATOM 1980 O VAL A 117 9.863 0.229 -1.925 1.00 1.31 O ATOM 1981 CB VAL A 117 8.467 -2.491 -3.314 1.00 20.14 C ATOM 1982 CG1 VAL A 117 8.539 -2.786 -1.797 1.00 71.34 C ATOM 1983 CG2 VAL A 117 7.162 -3.062 -3.911 1.00 64.42 C ATOM 0 H VAL A 117 8.563 -1.555 -5.657 1.00 50.24 H new ATOM 0 HA VAL A 117 7.744 -0.446 -3.211 1.00 15.21 H new ATOM 0 HB VAL A 117 9.317 -2.988 -3.782 1.00 20.14 H new ATOM 0 HG11 VAL A 117 8.435 -3.858 -1.629 1.00 71.34 H new ATOM 0 HG12 VAL A 117 9.499 -2.449 -1.406 1.00 71.34 H new ATOM 0 HG13 VAL A 117 7.733 -2.259 -1.285 1.00 71.34 H new ATOM 0 HG21 VAL A 117 7.088 -4.124 -3.675 1.00 64.42 H new ATOM 0 HG22 VAL A 117 6.307 -2.535 -3.487 1.00 64.42 H new ATOM 0 HG23 VAL A 117 7.169 -2.931 -4.993 1.00 64.42 H new ATOM 1993 N ARG A 118 11.026 -0.549 -3.720 1.00 33.42 N ATOM 1994 CA ARG A 118 12.343 -0.026 -3.304 1.00 71.04 C ATOM 1995 C ARG A 118 12.404 1.510 -3.462 1.00 63.22 C ATOM 1996 O ARG A 118 13.085 2.191 -2.687 1.00 62.45 O ATOM 1997 CB ARG A 118 13.474 -0.716 -4.107 1.00 71.30 C ATOM 1998 CG ARG A 118 13.487 -2.255 -3.962 1.00 1.41 C ATOM 1999 CD ARG A 118 14.657 -2.915 -4.705 1.00 34.54 C ATOM 2000 NE ARG A 118 15.967 -2.501 -4.154 1.00 72.41 N ATOM 2001 CZ ARG A 118 16.869 -3.316 -3.573 1.00 63.35 C ATOM 2002 NH1 ARG A 118 16.634 -4.620 -3.449 1.00 31.55 N ATOM 2003 NH2 ARG A 118 18.006 -2.810 -3.116 1.00 44.30 N ATOM 0 H ARG A 118 11.048 -1.049 -4.609 1.00 33.42 H new ATOM 0 HA ARG A 118 12.486 -0.254 -2.248 1.00 71.04 H new ATOM 0 HB2 ARG A 118 13.368 -0.460 -5.161 1.00 71.30 H new ATOM 0 HB3 ARG A 118 14.435 -0.320 -3.778 1.00 71.30 H new ATOM 0 HG2 ARG A 118 13.542 -2.515 -2.905 1.00 1.41 H new ATOM 0 HG3 ARG A 118 12.548 -2.659 -4.341 1.00 1.41 H new ATOM 0 HD2 ARG A 118 14.563 -3.999 -4.640 1.00 34.54 H new ATOM 0 HD3 ARG A 118 14.609 -2.653 -5.762 1.00 34.54 H new ATOM 0 HE ARG A 118 16.208 -1.512 -4.220 1.00 72.41 H new ATOM 0 HH11 ARG A 118 15.761 -5.016 -3.796 1.00 31.55 H new ATOM 0 HH12 ARG A 118 17.327 -5.223 -3.007 1.00 31.55 H new ATOM 0 HH21 ARG A 118 18.192 -1.811 -3.206 1.00 44.30 H new ATOM 0 HH22 ARG A 118 18.695 -3.420 -2.675 1.00 44.30 H new ATOM 2017 N GLU A 119 11.675 2.051 -4.459 1.00 44.24 N ATOM 2018 CA GLU A 119 11.529 3.511 -4.646 1.00 61.42 C ATOM 2019 C GLU A 119 10.769 4.144 -3.464 1.00 33.45 C ATOM 2020 O GLU A 119 11.092 5.252 -3.029 1.00 14.31 O ATOM 2021 CB GLU A 119 10.801 3.825 -5.981 1.00 74.33 C ATOM 2022 CG GLU A 119 11.589 3.446 -7.245 1.00 52.44 C ATOM 2023 CD GLU A 119 12.951 4.153 -7.339 1.00 30.23 C ATOM 2024 OE1 GLU A 119 12.973 5.400 -7.447 1.00 72.01 O ATOM 2025 OE2 GLU A 119 13.999 3.474 -7.314 1.00 33.40 O ATOM 0 H GLU A 119 11.174 1.495 -5.152 1.00 44.24 H new ATOM 0 HA GLU A 119 12.528 3.944 -4.685 1.00 61.42 H new ATOM 0 HB2 GLU A 119 9.847 3.298 -5.992 1.00 74.33 H new ATOM 0 HB3 GLU A 119 10.576 4.891 -6.015 1.00 74.33 H new ATOM 0 HG2 GLU A 119 11.744 2.367 -7.260 1.00 52.44 H new ATOM 0 HG3 GLU A 119 10.995 3.695 -8.125 1.00 52.44 H new ATOM 2032 N PHE A 120 9.753 3.419 -2.958 1.00 13.51 N ATOM 2033 CA PHE A 120 8.985 3.817 -1.761 1.00 70.23 C ATOM 2034 C PHE A 120 9.865 3.869 -0.497 1.00 31.44 C ATOM 2035 O PHE A 120 9.544 4.594 0.436 1.00 4.55 O ATOM 2036 CB PHE A 120 7.792 2.860 -1.520 1.00 23.42 C ATOM 2037 CG PHE A 120 6.677 2.913 -2.562 1.00 20.25 C ATOM 2038 CD1 PHE A 120 6.224 4.132 -3.072 1.00 45.34 C ATOM 2039 CD2 PHE A 120 6.058 1.745 -3.008 1.00 1.25 C ATOM 2040 CE1 PHE A 120 5.196 4.174 -3.992 1.00 62.33 C ATOM 2041 CE2 PHE A 120 5.032 1.791 -3.924 1.00 2.35 C ATOM 2042 CZ PHE A 120 4.599 3.004 -4.417 1.00 32.45 C ATOM 0 H PHE A 120 9.441 2.539 -3.368 1.00 13.51 H new ATOM 0 HA PHE A 120 8.608 4.821 -1.955 1.00 70.23 H new ATOM 0 HB2 PHE A 120 8.173 1.840 -1.474 1.00 23.42 H new ATOM 0 HB3 PHE A 120 7.362 3.084 -0.544 1.00 23.42 H new ATOM 0 HD1 PHE A 120 6.683 5.052 -2.743 1.00 45.34 H new ATOM 0 HD2 PHE A 120 6.389 0.790 -2.628 1.00 1.25 H new ATOM 0 HE1 PHE A 120 4.858 5.124 -4.380 1.00 62.33 H new ATOM 0 HE2 PHE A 120 4.565 0.876 -4.257 1.00 2.35 H new ATOM 0 HZ PHE A 120 3.793 3.039 -5.135 1.00 32.45 H new ATOM 2052 N MET A 121 10.967 3.092 -0.486 1.00 22.52 N ATOM 2053 CA MET A 121 11.945 3.100 0.629 1.00 12.21 C ATOM 2054 C MET A 121 12.744 4.408 0.638 1.00 41.15 C ATOM 2055 O MET A 121 13.179 4.872 1.692 1.00 54.15 O ATOM 2056 CB MET A 121 12.912 1.889 0.537 1.00 20.30 C ATOM 2057 CG MET A 121 12.200 0.547 0.437 1.00 3.32 C ATOM 2058 SD MET A 121 10.983 0.325 1.743 1.00 31.31 S ATOM 2059 CE MET A 121 10.159 -1.161 1.191 1.00 62.01 C ATOM 0 H MET A 121 11.206 2.447 -1.239 1.00 22.52 H new ATOM 0 HA MET A 121 11.384 3.021 1.560 1.00 12.21 H new ATOM 0 HB2 MET A 121 13.557 2.015 -0.333 1.00 20.30 H new ATOM 0 HB3 MET A 121 13.559 1.883 1.415 1.00 20.30 H new ATOM 0 HG2 MET A 121 11.708 0.470 -0.533 1.00 3.32 H new ATOM 0 HG3 MET A 121 12.935 -0.257 0.487 1.00 3.32 H new ATOM 0 HE1 MET A 121 9.143 -0.919 0.879 1.00 62.01 H new ATOM 0 HE2 MET A 121 10.705 -1.589 0.350 1.00 62.01 H new ATOM 0 HE3 MET A 121 10.125 -1.883 2.007 1.00 62.01 H new ATOM 2069 N GLN A 122 12.924 4.996 -0.558 1.00 71.40 N ATOM 2070 CA GLN A 122 13.651 6.269 -0.731 1.00 53.52 C ATOM 2071 C GLN A 122 12.728 7.458 -0.386 1.00 52.44 C ATOM 2072 O GLN A 122 13.170 8.464 0.184 1.00 14.24 O ATOM 2073 CB GLN A 122 14.190 6.377 -2.184 1.00 63.43 C ATOM 2074 CG GLN A 122 15.098 5.211 -2.630 1.00 2.12 C ATOM 2075 CD GLN A 122 16.353 5.033 -1.762 1.00 54.42 C ATOM 2076 OE1 GLN A 122 16.350 4.281 -0.786 1.00 71.32 O ATOM 2077 NE2 GLN A 122 17.430 5.719 -2.110 1.00 2.10 N ATOM 0 H GLN A 122 12.571 4.604 -1.431 1.00 71.40 H new ATOM 0 HA GLN A 122 14.502 6.295 -0.050 1.00 53.52 H new ATOM 0 HB2 GLN A 122 13.342 6.439 -2.866 1.00 63.43 H new ATOM 0 HB3 GLN A 122 14.747 7.309 -2.281 1.00 63.43 H new ATOM 0 HG2 GLN A 122 14.521 4.286 -2.611 1.00 2.12 H new ATOM 0 HG3 GLN A 122 15.403 5.376 -3.663 1.00 2.12 H new ATOM 0 HE21 GLN A 122 17.402 6.334 -2.923 1.00 2.10 H new ATOM 0 HE22 GLN A 122 18.288 5.633 -1.565 1.00 2.10 H new ATOM 2086 N LYS A 123 11.440 7.302 -0.732 1.00 43.45 N ATOM 2087 CA LYS A 123 10.373 8.287 -0.449 1.00 72.45 C ATOM 2088 C LYS A 123 10.035 8.316 1.060 1.00 51.24 C ATOM 2089 O LYS A 123 9.762 9.378 1.631 1.00 35.51 O ATOM 2090 CB LYS A 123 9.123 7.918 -1.286 1.00 44.44 C ATOM 2091 CG LYS A 123 9.325 8.008 -2.820 1.00 14.13 C ATOM 2092 CD LYS A 123 8.167 7.351 -3.602 1.00 34.31 C ATOM 2093 CE LYS A 123 8.291 7.527 -5.125 1.00 63.12 C ATOM 2094 NZ LYS A 123 9.556 6.964 -5.662 1.00 25.41 N ATOM 0 H LYS A 123 11.101 6.476 -1.225 1.00 43.45 H new ATOM 0 HA LYS A 123 10.716 9.284 -0.724 1.00 72.45 H new ATOM 0 HB2 LYS A 123 8.818 6.903 -1.032 1.00 44.44 H new ATOM 0 HB3 LYS A 123 8.303 8.578 -1.001 1.00 44.44 H new ATOM 0 HG2 LYS A 123 9.410 9.055 -3.112 1.00 14.13 H new ATOM 0 HG3 LYS A 123 10.264 7.524 -3.090 1.00 14.13 H new ATOM 0 HD2 LYS A 123 8.135 6.287 -3.367 1.00 34.31 H new ATOM 0 HD3 LYS A 123 7.222 7.780 -3.268 1.00 34.31 H new ATOM 0 HE2 LYS A 123 7.445 7.043 -5.613 1.00 63.12 H new ATOM 0 HE3 LYS A 123 8.236 8.588 -5.371 1.00 63.12 H new ATOM 0 HZ1 LYS A 123 10.157 7.736 -6.016 1.00 25.41 H new ATOM 0 HZ2 LYS A 123 10.057 6.453 -4.907 1.00 25.41 H new ATOM 0 HZ3 LYS A 123 9.341 6.308 -6.440 1.00 25.41 H new ATOM 2108 N ALA A 124 10.056 7.128 1.683 1.00 21.14 N ATOM 2109 CA ALA A 124 9.875 6.963 3.138 1.00 75.33 C ATOM 2110 C ALA A 124 11.162 7.363 3.882 1.00 4.40 C ATOM 2111 O ALA A 124 11.113 7.841 5.020 1.00 53.21 O ATOM 2112 CB ALA A 124 9.495 5.513 3.459 1.00 24.44 C ATOM 0 H ALA A 124 10.200 6.247 1.190 1.00 21.14 H new ATOM 0 HA ALA A 124 9.068 7.615 3.471 1.00 75.33 H new ATOM 0 HB1 ALA A 124 9.364 5.401 4.535 1.00 24.44 H new ATOM 0 HB2 ALA A 124 8.564 5.260 2.951 1.00 24.44 H new ATOM 0 HB3 ALA A 124 10.287 4.846 3.119 1.00 24.44 H new ATOM 2118 N GLY A 125 12.313 7.168 3.201 1.00 23.35 N ATOM 2119 CA GLY A 125 13.617 7.613 3.699 1.00 42.11 C ATOM 2120 C GLY A 125 13.765 9.129 3.695 1.00 71.34 C ATOM 2121 O GLY A 125 14.615 9.665 4.389 1.00 24.30 O ATOM 0 H GLY A 125 12.356 6.699 2.296 1.00 23.35 H new ATOM 0 HA2 GLY A 125 13.759 7.241 4.714 1.00 42.11 H new ATOM 0 HA3 GLY A 125 14.404 7.174 3.086 1.00 42.11 H new ATOM 2125 N SER A 126 12.924 9.813 2.897 1.00 43.11 N ATOM 2126 CA SER A 126 12.817 11.283 2.907 1.00 31.11 C ATOM 2127 C SER A 126 12.120 11.770 4.197 1.00 24.12 C ATOM 2128 O SER A 126 12.384 12.873 4.673 1.00 44.54 O ATOM 2129 CB SER A 126 12.036 11.766 1.663 1.00 13.05 C ATOM 2130 OG SER A 126 11.873 13.179 1.656 1.00 31.31 O ATOM 0 H SER A 126 12.300 9.362 2.228 1.00 43.11 H new ATOM 0 HA SER A 126 13.822 11.704 2.880 1.00 31.11 H new ATOM 0 HB2 SER A 126 12.563 11.457 0.760 1.00 13.05 H new ATOM 0 HB3 SER A 126 11.057 11.287 1.640 1.00 13.05 H new ATOM 0 HG SER A 126 11.377 13.447 0.855 1.00 31.31 H new ATOM 2136 N LEU A 127 11.235 10.923 4.745 1.00 13.33 N ATOM 2137 CA LEU A 127 10.456 11.222 5.967 1.00 64.44 C ATOM 2138 C LEU A 127 11.324 11.020 7.224 1.00 1.14 C ATOM 2139 O LEU A 127 11.194 11.757 8.206 1.00 53.31 O ATOM 2140 CB LEU A 127 9.210 10.302 6.015 1.00 25.12 C ATOM 2141 CG LEU A 127 8.286 10.370 4.762 1.00 14.13 C ATOM 2142 CD1 LEU A 127 7.230 9.248 4.786 1.00 5.11 C ATOM 2143 CD2 LEU A 127 7.641 11.771 4.619 1.00 14.31 C ATOM 0 H LEU A 127 11.035 10.003 4.353 1.00 13.33 H new ATOM 0 HA LEU A 127 10.135 12.263 5.944 1.00 64.44 H new ATOM 0 HB2 LEU A 127 9.543 9.272 6.145 1.00 25.12 H new ATOM 0 HB3 LEU A 127 8.621 10.560 6.895 1.00 25.12 H new ATOM 0 HG LEU A 127 8.904 10.209 3.879 1.00 14.13 H new ATOM 0 HD11 LEU A 127 6.601 9.322 3.899 1.00 5.11 H new ATOM 0 HD12 LEU A 127 7.729 8.279 4.797 1.00 5.11 H new ATOM 0 HD13 LEU A 127 6.613 9.349 5.679 1.00 5.11 H new ATOM 0 HD21 LEU A 127 7.002 11.789 3.736 1.00 14.31 H new ATOM 0 HD22 LEU A 127 7.043 11.989 5.504 1.00 14.31 H new ATOM 0 HD23 LEU A 127 8.423 12.523 4.516 1.00 14.31 H new ATOM 2155 N GLU A 128 12.195 9.998 7.165 1.00 34.24 N ATOM 2156 CA GLU A 128 13.152 9.670 8.237 1.00 12.33 C ATOM 2157 C GLU A 128 14.305 10.673 8.236 1.00 53.35 C ATOM 2158 O GLU A 128 14.596 11.325 9.244 1.00 54.22 O ATOM 2159 CB GLU A 128 13.705 8.243 8.035 1.00 21.54 C ATOM 2160 CG GLU A 128 12.642 7.146 8.012 1.00 70.41 C ATOM 2161 CD GLU A 128 13.258 5.774 7.762 1.00 12.24 C ATOM 2162 OE1 GLU A 128 13.523 5.444 6.591 1.00 22.10 O ATOM 2163 OE2 GLU A 128 13.502 5.021 8.733 1.00 62.23 O ATOM 0 H GLU A 128 12.255 9.370 6.364 1.00 34.24 H new ATOM 0 HA GLU A 128 12.635 9.721 9.195 1.00 12.33 H new ATOM 0 HB2 GLU A 128 14.260 8.212 7.098 1.00 21.54 H new ATOM 0 HB3 GLU A 128 14.415 8.026 8.833 1.00 21.54 H new ATOM 0 HG2 GLU A 128 12.106 7.138 8.961 1.00 70.41 H new ATOM 0 HG3 GLU A 128 11.910 7.364 7.235 1.00 70.41 H new ATOM 2170 N HIS A 129 14.938 10.801 7.061 1.00 41.13 N ATOM 2171 CA HIS A 129 16.073 11.707 6.832 1.00 41.13 C ATOM 2172 C HIS A 129 15.542 13.060 6.310 1.00 63.21 C ATOM 2173 O HIS A 129 16.099 13.677 5.393 1.00 30.25 O ATOM 2174 CB HIS A 129 17.062 11.020 5.837 1.00 54.42 C ATOM 2175 CG HIS A 129 18.415 11.683 5.729 1.00 64.24 C ATOM 2176 ND1 HIS A 129 18.898 12.230 4.560 1.00 12.42 N ATOM 2177 CD2 HIS A 129 19.405 11.823 6.639 1.00 52.05 C ATOM 2178 CE1 HIS A 129 20.115 12.694 4.766 1.00 72.55 C ATOM 2179 NE2 HIS A 129 20.446 12.458 6.015 1.00 0.43 N ATOM 0 H HIS A 129 14.672 10.271 6.231 1.00 41.13 H new ATOM 0 HA HIS A 129 16.617 11.910 7.755 1.00 41.13 H new ATOM 0 HB2 HIS A 129 17.204 9.984 6.145 1.00 54.42 H new ATOM 0 HB3 HIS A 129 16.604 10.998 4.848 1.00 54.42 H new ATOM 0 HD2 HIS A 129 19.380 11.495 7.668 1.00 52.05 H new ATOM 0 HE1 HIS A 129 20.735 13.186 4.031 1.00 72.55 H new ATOM 0 HE2 HIS A 129 21.334 12.707 6.450 1.00 0.43 H new ATOM 2188 N HIS A 130 14.434 13.499 6.935 1.00 75.12 N ATOM 2189 CA HIS A 130 13.805 14.805 6.700 1.00 53.03 C ATOM 2190 C HIS A 130 14.803 15.953 6.932 1.00 22.33 C ATOM 2191 O HIS A 130 15.446 16.026 7.986 1.00 12.12 O ATOM 2192 CB HIS A 130 12.523 14.957 7.582 1.00 24.00 C ATOM 2193 CG HIS A 130 12.643 14.521 9.042 1.00 42.21 C ATOM 2194 ND1 HIS A 130 11.541 14.235 9.824 1.00 64.40 N ATOM 2195 CD2 HIS A 130 13.720 14.300 9.849 1.00 12.12 C ATOM 2196 CE1 HIS A 130 11.935 13.872 11.030 1.00 22.53 C ATOM 2197 NE2 HIS A 130 13.245 13.905 11.069 1.00 54.34 N ATOM 0 H HIS A 130 13.943 12.940 7.633 1.00 75.12 H new ATOM 0 HA HIS A 130 13.498 14.860 5.656 1.00 53.03 H new ATOM 0 HB2 HIS A 130 12.218 16.003 7.563 1.00 24.00 H new ATOM 0 HB3 HIS A 130 11.721 14.382 7.119 1.00 24.00 H new ATOM 0 HD2 HIS A 130 14.758 14.416 9.575 1.00 12.12 H new ATOM 0 HE1 HIS A 130 11.287 13.594 11.848 1.00 22.53 H new ATOM 0 HE2 HIS A 130 13.818 13.673 11.880 1.00 54.34 H new ATOM 2206 N HIS A 131 14.942 16.817 5.914 1.00 64.13 N ATOM 2207 CA HIS A 131 15.899 17.930 5.923 1.00 42.43 C ATOM 2208 C HIS A 131 15.547 18.911 7.053 1.00 43.22 C ATOM 2209 O HIS A 131 14.430 19.429 7.096 1.00 34.04 O ATOM 2210 CB HIS A 131 15.916 18.621 4.539 1.00 65.20 C ATOM 2211 CG HIS A 131 16.358 17.706 3.421 1.00 62.35 C ATOM 2212 ND1 HIS A 131 15.505 17.229 2.446 1.00 24.41 N ATOM 2213 CD2 HIS A 131 17.568 17.165 3.146 1.00 32.22 C ATOM 2214 CE1 HIS A 131 16.172 16.437 1.627 1.00 70.33 C ATOM 2215 NE2 HIS A 131 17.422 16.385 2.028 1.00 15.12 N ATOM 0 H HIS A 131 14.390 16.761 5.058 1.00 64.13 H new ATOM 0 HA HIS A 131 16.904 17.553 6.114 1.00 42.43 H new ATOM 0 HB2 HIS A 131 14.918 18.999 4.317 1.00 65.20 H new ATOM 0 HB3 HIS A 131 16.582 19.483 4.579 1.00 65.20 H new ATOM 0 HD2 HIS A 131 18.480 17.319 3.704 1.00 32.22 H new ATOM 0 HE1 HIS A 131 15.760 15.920 0.773 1.00 70.33 H new ATOM 0 HE2 HIS A 131 18.165 15.850 1.579 1.00 15.12 H new ATOM 2224 N HIS A 132 16.520 19.116 7.967 1.00 32.31 N ATOM 2225 CA HIS A 132 16.370 19.918 9.207 1.00 63.41 C ATOM 2226 C HIS A 132 15.852 21.340 8.905 1.00 3.02 C ATOM 2227 O HIS A 132 15.122 21.940 9.706 1.00 35.01 O ATOM 2228 CB HIS A 132 17.731 19.959 9.948 1.00 54.34 C ATOM 2229 CG HIS A 132 17.666 20.488 11.354 1.00 33.23 C ATOM 2230 ND1 HIS A 132 17.915 21.803 11.684 1.00 14.02 N ATOM 2231 CD2 HIS A 132 17.401 19.856 12.522 1.00 3.21 C ATOM 2232 CE1 HIS A 132 17.811 21.954 12.988 1.00 51.24 C ATOM 2233 NE2 HIS A 132 17.497 20.791 13.519 1.00 3.42 N ATOM 0 H HIS A 132 17.454 18.720 7.863 1.00 32.31 H new ATOM 0 HA HIS A 132 15.625 19.446 9.847 1.00 63.41 H new ATOM 0 HB2 HIS A 132 18.146 18.952 9.972 1.00 54.34 H new ATOM 0 HB3 HIS A 132 18.423 20.575 9.374 1.00 54.34 H new ATOM 0 HD2 HIS A 132 17.159 18.811 12.645 1.00 3.21 H new ATOM 0 HE1 HIS A 132 17.958 22.876 13.530 1.00 51.24 H new ATOM 0 HE2 HIS A 132 17.349 20.614 14.513 1.00 3.42 H new ATOM 2242 N HIS A 133 16.267 21.864 7.746 1.00 33.44 N ATOM 2243 CA HIS A 133 15.637 23.026 7.112 1.00 65.55 C ATOM 2244 C HIS A 133 14.776 22.516 5.931 1.00 12.55 C ATOM 2245 O HIS A 133 15.305 21.956 4.971 1.00 24.54 O ATOM 2246 CB HIS A 133 16.713 24.065 6.667 1.00 72.14 C ATOM 2247 CG HIS A 133 17.796 23.564 5.719 1.00 13.24 C ATOM 2248 ND1 HIS A 133 18.977 23.000 6.152 1.00 32.34 N ATOM 2249 CD2 HIS A 133 17.882 23.594 4.364 1.00 21.41 C ATOM 2250 CE1 HIS A 133 19.733 22.703 5.112 1.00 24.33 C ATOM 2251 NE2 HIS A 133 19.092 23.052 4.018 1.00 14.00 N ATOM 0 H HIS A 133 17.056 21.490 7.218 1.00 33.44 H new ATOM 0 HA HIS A 133 14.992 23.549 7.818 1.00 65.55 H new ATOM 0 HB2 HIS A 133 16.202 24.901 6.189 1.00 72.14 H new ATOM 0 HB3 HIS A 133 17.198 24.457 7.561 1.00 72.14 H new ATOM 0 HD2 HIS A 133 17.134 23.975 3.684 1.00 21.41 H new ATOM 0 HE1 HIS A 133 20.713 22.250 5.152 1.00 24.33 H new ATOM 0 HE2 HIS A 133 19.439 22.938 3.066 1.00 14.00 H new ATOM 2260 N HIS A 134 13.445 22.631 6.062 1.00 35.41 N ATOM 2261 CA HIS A 134 12.491 22.157 5.035 1.00 13.24 C ATOM 2262 C HIS A 134 12.242 23.273 3.994 1.00 20.01 C ATOM 2263 O HIS A 134 11.407 24.168 4.248 1.00 24.50 O ATOM 2264 CB HIS A 134 11.163 21.708 5.703 1.00 35.22 C ATOM 2265 CG HIS A 134 11.299 20.516 6.612 1.00 22.21 C ATOM 2266 ND1 HIS A 134 11.429 20.623 7.976 1.00 63.45 N ATOM 2267 CD2 HIS A 134 11.304 19.188 6.343 1.00 42.20 C ATOM 2268 CE1 HIS A 134 11.522 19.424 8.505 1.00 43.31 C ATOM 2269 NE2 HIS A 134 11.440 18.530 7.540 1.00 70.24 N ATOM 2270 OXT HIS A 134 12.906 23.273 2.938 1.00 37.97 O ATOM 0 H HIS A 134 12.997 23.052 6.876 1.00 35.41 H new ATOM 0 HA HIS A 134 12.916 21.296 4.519 1.00 13.24 H new ATOM 0 HB2 HIS A 134 10.758 22.542 6.275 1.00 35.22 H new ATOM 0 HB3 HIS A 134 10.438 21.475 4.923 1.00 35.22 H new ATOM 0 HD1 HIS A 134 11.450 21.499 8.498 1.00 63.45 H new ATOM 0 HD2 HIS A 134 11.217 18.732 5.368 1.00 42.20 H new ATOM 0 HE1 HIS A 134 11.645 19.207 9.556 1.00 43.31 H new TER 2279 HIS A 134