USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 905 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 41 GLN : amide:sc= -2.17! K(o=-7.5!,f=-3.8) USER MOD Set 1.2: A 43 ASN : amide:sc= -0.458! C(o=-7.5!,f=-7.3!) USER MOD Set 1.3: A 82 HIS : no HE2:sc= -4.9 K(o=-7.5,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -173:sc= -0.0956 (180deg=-0.144) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot -154:sc= 0.924 USER MOD Single : A 13 SER OG : rot -35:sc= 1.24 USER MOD Single : A 14 GLN : amide:sc= -1.42! X(o=-1.4!,f=-1.6) USER MOD Single : A 15 ASN : amide:sc= -2.32! K(o=-2.3!,f=-1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -108:sc= 0.576! USER MOD Single : A 27 HIS : no HE2:sc= -0.158 K(o=-0.044,f=-3.6) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.165 K(o=0.16,f=-0.62) USER MOD Single : A 32 GLN : amide:sc= -0.667 X(o=-0.67,f=-0.94) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 166:sc= -0.0404 (180deg=-0.225) USER MOD Single : A 42 TYR OH : rot -148:sc= 0.57 USER MOD Single : A 45 MET CE :methyl -163:sc= -0.0551 (180deg=-0.407) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc=0.000764 (180deg=-0.381) USER MOD Single : A 58 ASN : amide:sc= -0.45 K(o=-0.45,f=-3.7!) USER MOD Single : A 59 SER OG : rot 170:sc= 0.785 USER MOD Single : A 62 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -162:sc= 1.21 (180deg=1.16) USER MOD Single : A 67 MET CE :methyl 173:sc= 0 (180deg=-0.0819) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0.877 (180deg=0.834) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= 1.15 (180deg=0.485) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.535 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0571 (180deg=-0.405) USER MOD Single : A 89 LYS NZ :NH3+ -149:sc= 0.0726! (180deg=-2.66!) USER MOD Single : A 90 SER OG : rot -163:sc= 0.878 USER MOD Single : A 91 THR OG1 : rot 170:sc= -0.0151 USER MOD Single : A 92 GLN : amide:sc= -0.778 K(o=-0.78,f=-0.039) USER MOD Single : A 93 LYS NZ :NH3+ -166:sc= -0.0259 (180deg=-0.254) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0307) USER MOD Single : A 100 THR OG1 : rot 44:sc= 0.644 USER MOD Single : A 106 ASN : amide:sc=-0.00465 K(o=-0.0047,f=-0.84) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.011) USER MOD Single : A 112 HIS : no HD1:sc= -0.0965 X(o=-0.096,f=-0.1) USER MOD Single : A 113 HIS : no HD1:sc= -0.0529 X(o=-0.053,f=-0.17) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.454 -21.816 -4.646 1.00 2.03 N ATOM 2 CA MET A 1 14.483 -21.655 -5.712 1.00 14.14 C ATOM 3 C MET A 1 14.535 -20.214 -6.243 1.00 32.10 C ATOM 4 O MET A 1 15.387 -19.881 -7.070 1.00 3.04 O ATOM 5 CB MET A 1 14.209 -22.626 -6.869 1.00 24.30 C ATOM 6 CG MET A 1 14.316 -24.092 -6.477 1.00 24.42 C ATOM 7 SD MET A 1 15.936 -24.503 -5.795 1.00 55.25 S ATOM 8 CE MET A 1 15.765 -26.270 -5.546 1.00 30.43 C ATOM 0 H1 MET A 1 13.530 -22.767 -4.231 1.00 2.03 H new ATOM 0 H2 MET A 1 13.607 -21.102 -3.905 1.00 2.03 H new ATOM 0 H3 MET A 1 12.507 -21.692 -5.056 1.00 2.03 H new ATOM 0 HA MET A 1 15.451 -21.884 -5.267 1.00 14.14 H new ATOM 0 HB2 MET A 1 13.210 -22.436 -7.262 1.00 24.30 H new ATOM 0 HB3 MET A 1 14.913 -22.423 -7.676 1.00 24.30 H new ATOM 0 HG2 MET A 1 13.545 -24.327 -5.743 1.00 24.42 H new ATOM 0 HG3 MET A 1 14.124 -24.714 -7.351 1.00 24.42 H new ATOM 0 HE1 MET A 1 16.689 -26.670 -5.128 1.00 30.43 H new ATOM 0 HE2 MET A 1 14.942 -26.462 -4.858 1.00 30.43 H new ATOM 0 HE3 MET A 1 15.560 -26.754 -6.501 1.00 30.43 H new ATOM 20 N LYS A 2 13.615 -19.362 -5.789 1.00 74.10 N ATOM 21 CA LYS A 2 13.616 -17.950 -6.187 1.00 31.32 C ATOM 22 C LYS A 2 14.509 -17.111 -5.264 1.00 41.44 C ATOM 23 O LYS A 2 14.066 -16.617 -4.227 1.00 75.42 O ATOM 24 CB LYS A 2 12.186 -17.386 -6.191 1.00 40.20 C ATOM 25 CG LYS A 2 11.329 -17.889 -7.350 1.00 11.04 C ATOM 26 CD LYS A 2 11.895 -17.447 -8.701 1.00 54.52 C ATOM 27 CE LYS A 2 11.037 -17.926 -9.865 1.00 33.31 C ATOM 28 NZ LYS A 2 11.606 -17.533 -11.185 1.00 42.43 N ATOM 0 H LYS A 2 12.864 -19.621 -5.150 1.00 74.10 H new ATOM 0 HA LYS A 2 14.021 -17.893 -7.197 1.00 31.32 H new ATOM 0 HB2 LYS A 2 11.700 -17.648 -5.251 1.00 40.20 H new ATOM 0 HB3 LYS A 2 12.235 -16.298 -6.233 1.00 40.20 H new ATOM 0 HG2 LYS A 2 11.273 -18.977 -7.317 1.00 11.04 H new ATOM 0 HG3 LYS A 2 10.311 -17.514 -7.241 1.00 11.04 H new ATOM 0 HD2 LYS A 2 11.965 -16.360 -8.726 1.00 54.52 H new ATOM 0 HD3 LYS A 2 12.908 -17.834 -8.814 1.00 54.52 H new ATOM 0 HE2 LYS A 2 10.942 -19.011 -9.821 1.00 33.31 H new ATOM 0 HE3 LYS A 2 10.033 -17.514 -9.767 1.00 33.31 H new ATOM 0 HZ1 LYS A 2 10.989 -17.880 -11.946 1.00 42.43 H new ATOM 0 HZ2 LYS A 2 11.673 -16.497 -11.239 1.00 42.43 H new ATOM 0 HZ3 LYS A 2 12.554 -17.947 -11.292 1.00 42.43 H new ATOM 42 N ASN A 3 15.776 -16.974 -5.632 1.00 51.13 N ATOM 43 CA ASN A 3 16.708 -16.140 -4.870 1.00 61.21 C ATOM 44 C ASN A 3 16.649 -14.685 -5.356 1.00 54.51 C ATOM 45 O ASN A 3 17.407 -14.279 -6.238 1.00 12.12 O ATOM 46 CB ASN A 3 18.135 -16.684 -4.989 1.00 65.11 C ATOM 47 CG ASN A 3 18.223 -18.158 -4.634 1.00 35.44 C ATOM 48 OD1 ASN A 3 18.119 -19.023 -5.495 1.00 15.50 O ATOM 49 ND2 ASN A 3 18.401 -18.459 -3.365 1.00 55.12 N ATOM 0 H ASN A 3 16.185 -17.426 -6.450 1.00 51.13 H new ATOM 0 HA ASN A 3 16.413 -16.167 -3.821 1.00 61.21 H new ATOM 0 HB2 ASN A 3 18.494 -16.536 -6.008 1.00 65.11 H new ATOM 0 HB3 ASN A 3 18.794 -16.115 -4.333 1.00 65.11 H new ATOM 0 HD21 ASN A 3 18.456 -19.435 -3.075 1.00 55.12 H new ATOM 0 HD22 ASN A 3 18.484 -17.716 -2.671 1.00 55.12 H new ATOM 56 N THR A 4 15.723 -13.913 -4.795 1.00 35.51 N ATOM 57 CA THR A 4 15.510 -12.519 -5.212 1.00 70.03 C ATOM 58 C THR A 4 16.606 -11.578 -4.697 1.00 44.02 C ATOM 59 O THR A 4 17.008 -11.642 -3.533 1.00 41.51 O ATOM 60 CB THR A 4 14.137 -11.991 -4.737 1.00 25.14 C ATOM 61 OG1 THR A 4 14.038 -12.073 -3.306 1.00 11.44 O ATOM 62 CG2 THR A 4 13.003 -12.785 -5.374 1.00 25.40 C ATOM 0 H THR A 4 15.103 -14.225 -4.047 1.00 35.51 H new ATOM 0 HA THR A 4 15.544 -12.527 -6.301 1.00 70.03 H new ATOM 0 HB THR A 4 14.052 -10.949 -5.044 1.00 25.14 H new ATOM 0 HG1 THR A 4 13.095 -12.138 -3.047 1.00 11.44 H new ATOM 0 HG21 THR A 4 12.046 -12.396 -5.026 1.00 25.40 H new ATOM 0 HG22 THR A 4 13.059 -12.693 -6.459 1.00 25.40 H new ATOM 0 HG23 THR A 4 13.092 -13.835 -5.094 1.00 25.40 H new ATOM 70 N GLY A 5 17.089 -10.704 -5.581 1.00 64.22 N ATOM 71 CA GLY A 5 18.123 -9.737 -5.217 1.00 65.25 C ATOM 72 C GLY A 5 17.556 -8.408 -4.722 1.00 33.20 C ATOM 73 O GLY A 5 18.179 -7.724 -3.906 1.00 31.04 O ATOM 0 H GLY A 5 16.781 -10.646 -6.552 1.00 64.22 H new ATOM 0 HA2 GLY A 5 18.756 -10.166 -4.440 1.00 65.25 H new ATOM 0 HA3 GLY A 5 18.760 -9.553 -6.082 1.00 65.25 H new ATOM 77 N ASP A 6 16.381 -8.033 -5.222 1.00 72.25 N ATOM 78 CA ASP A 6 15.719 -6.795 -4.799 1.00 12.42 C ATOM 79 C ASP A 6 15.234 -6.881 -3.344 1.00 24.31 C ATOM 80 O ASP A 6 14.168 -7.429 -3.071 1.00 41.25 O ATOM 81 CB ASP A 6 14.532 -6.482 -5.720 1.00 25.12 C ATOM 82 CG ASP A 6 14.961 -6.170 -7.140 1.00 52.02 C ATOM 83 OD1 ASP A 6 15.253 -4.990 -7.431 1.00 44.05 O ATOM 84 OD2 ASP A 6 15.001 -7.091 -7.978 1.00 71.24 O ATOM 0 H ASP A 6 15.865 -8.567 -5.921 1.00 72.25 H new ATOM 0 HA ASP A 6 16.454 -5.993 -4.866 1.00 12.42 H new ATOM 0 HB2 ASP A 6 13.850 -7.332 -5.729 1.00 25.12 H new ATOM 0 HB3 ASP A 6 13.978 -5.634 -5.317 1.00 25.12 H new ATOM 89 N GLU A 7 16.038 -6.364 -2.415 1.00 52.41 N ATOM 90 CA GLU A 7 15.624 -6.247 -1.010 1.00 22.34 C ATOM 91 C GLU A 7 14.968 -4.881 -0.760 1.00 24.11 C ATOM 92 O GLU A 7 15.648 -3.856 -0.657 1.00 4.33 O ATOM 93 CB GLU A 7 16.822 -6.468 -0.070 1.00 50.23 C ATOM 94 CG GLU A 7 17.316 -7.913 -0.042 1.00 52.42 C ATOM 95 CD GLU A 7 18.531 -8.110 0.854 1.00 13.43 C ATOM 96 OE1 GLU A 7 18.372 -8.100 2.096 1.00 1.32 O ATOM 97 OE2 GLU A 7 19.647 -8.285 0.324 1.00 13.20 O ATOM 0 H GLU A 7 16.979 -6.019 -2.606 1.00 52.41 H new ATOM 0 HA GLU A 7 14.887 -7.022 -0.798 1.00 22.34 H new ATOM 0 HB2 GLU A 7 17.641 -5.818 -0.379 1.00 50.23 H new ATOM 0 HB3 GLU A 7 16.541 -6.169 0.940 1.00 50.23 H new ATOM 0 HG2 GLU A 7 16.509 -8.560 0.302 1.00 52.42 H new ATOM 0 HG3 GLU A 7 17.565 -8.226 -1.056 1.00 52.42 H new ATOM 104 N VAL A 8 13.638 -4.874 -0.676 1.00 41.01 N ATOM 105 CA VAL A 8 12.863 -3.630 -0.614 1.00 2.03 C ATOM 106 C VAL A 8 11.778 -3.651 0.478 1.00 60.22 C ATOM 107 O VAL A 8 11.231 -4.705 0.826 1.00 65.23 O ATOM 108 CB VAL A 8 12.189 -3.332 -1.980 1.00 64.43 C ATOM 109 CG1 VAL A 8 13.234 -3.068 -3.062 1.00 31.43 C ATOM 110 CG2 VAL A 8 11.266 -4.481 -2.392 1.00 11.13 C ATOM 0 H VAL A 8 13.070 -5.721 -0.649 1.00 41.01 H new ATOM 0 HA VAL A 8 13.578 -2.846 -0.365 1.00 2.03 H new ATOM 0 HB VAL A 8 11.586 -2.431 -1.866 1.00 64.43 H new ATOM 0 HG11 VAL A 8 12.734 -2.862 -4.008 1.00 31.43 H new ATOM 0 HG12 VAL A 8 13.842 -2.209 -2.779 1.00 31.43 H new ATOM 0 HG13 VAL A 8 13.873 -3.944 -3.172 1.00 31.43 H new ATOM 0 HG21 VAL A 8 10.804 -4.251 -3.352 1.00 11.13 H new ATOM 0 HG22 VAL A 8 11.846 -5.400 -2.479 1.00 11.13 H new ATOM 0 HG23 VAL A 8 10.490 -4.612 -1.638 1.00 11.13 H new ATOM 120 N VAL A 9 11.468 -2.467 1.006 1.00 72.33 N ATOM 121 CA VAL A 9 10.402 -2.295 1.999 1.00 73.34 C ATOM 122 C VAL A 9 9.338 -1.298 1.497 1.00 3.44 C ATOM 123 O VAL A 9 9.666 -0.284 0.876 1.00 52.43 O ATOM 124 CB VAL A 9 10.966 -1.799 3.361 1.00 41.14 C ATOM 125 CG1 VAL A 9 11.894 -2.844 3.976 1.00 14.23 C ATOM 126 CG2 VAL A 9 11.690 -0.460 3.203 1.00 42.23 C ATOM 0 H VAL A 9 11.946 -1.600 0.760 1.00 72.33 H new ATOM 0 HA VAL A 9 9.942 -3.272 2.145 1.00 73.34 H new ATOM 0 HB VAL A 9 10.124 -1.649 4.037 1.00 41.14 H new ATOM 0 HG11 VAL A 9 12.277 -2.476 4.928 1.00 14.23 H new ATOM 0 HG12 VAL A 9 11.342 -3.769 4.141 1.00 14.23 H new ATOM 0 HG13 VAL A 9 12.727 -3.034 3.299 1.00 14.23 H new ATOM 0 HG21 VAL A 9 12.074 -0.137 4.171 1.00 42.23 H new ATOM 0 HG22 VAL A 9 12.518 -0.575 2.504 1.00 42.23 H new ATOM 0 HG23 VAL A 9 10.994 0.287 2.821 1.00 42.23 H new ATOM 136 N ALA A 10 8.070 -1.598 1.761 1.00 34.33 N ATOM 137 CA ALA A 10 6.962 -0.727 1.354 1.00 30.44 C ATOM 138 C ALA A 10 6.535 0.211 2.497 1.00 10.13 C ATOM 139 O ALA A 10 6.000 -0.235 3.514 1.00 33.12 O ATOM 140 CB ALA A 10 5.779 -1.568 0.888 1.00 62.32 C ATOM 0 H ALA A 10 7.779 -2.440 2.257 1.00 34.33 H new ATOM 0 HA ALA A 10 7.307 -0.107 0.527 1.00 30.44 H new ATOM 0 HB1 ALA A 10 4.962 -0.912 0.588 1.00 62.32 H new ATOM 0 HB2 ALA A 10 6.081 -2.182 0.040 1.00 62.32 H new ATOM 0 HB3 ALA A 10 5.447 -2.212 1.702 1.00 62.32 H new ATOM 146 N ILE A 11 6.783 1.505 2.322 1.00 11.41 N ATOM 147 CA ILE A 11 6.415 2.513 3.322 1.00 64.11 C ATOM 148 C ILE A 11 5.062 3.162 2.978 1.00 63.40 C ATOM 149 O ILE A 11 4.932 3.858 1.969 1.00 23.11 O ATOM 150 CB ILE A 11 7.495 3.622 3.431 1.00 60.41 C ATOM 151 CG1 ILE A 11 8.897 3.005 3.593 1.00 14.32 C ATOM 152 CG2 ILE A 11 7.182 4.564 4.594 1.00 64.03 C ATOM 153 CD1 ILE A 11 9.051 2.117 4.813 1.00 44.32 C ATOM 0 H ILE A 11 7.240 1.886 1.494 1.00 11.41 H new ATOM 0 HA ILE A 11 6.337 1.998 4.280 1.00 64.11 H new ATOM 0 HB ILE A 11 7.484 4.201 2.508 1.00 60.41 H new ATOM 0 HG12 ILE A 11 9.130 2.422 2.702 1.00 14.32 H new ATOM 0 HG13 ILE A 11 9.631 3.809 3.648 1.00 14.32 H new ATOM 0 HG21 ILE A 11 7.950 5.335 4.655 1.00 64.03 H new ATOM 0 HG22 ILE A 11 6.211 5.031 4.432 1.00 64.03 H new ATOM 0 HG23 ILE A 11 7.162 3.998 5.525 1.00 64.03 H new ATOM 0 HD11 ILE A 11 10.067 1.724 4.851 1.00 44.32 H new ATOM 0 HD12 ILE A 11 8.853 2.698 5.713 1.00 44.32 H new ATOM 0 HD13 ILE A 11 8.344 1.290 4.752 1.00 44.32 H new ATOM 165 N ILE A 12 4.056 2.922 3.817 1.00 12.21 N ATOM 166 CA ILE A 12 2.711 3.465 3.595 1.00 13.42 C ATOM 167 C ILE A 12 2.498 4.776 4.377 1.00 11.52 C ATOM 168 O ILE A 12 2.637 4.811 5.604 1.00 21.11 O ATOM 169 CB ILE A 12 1.601 2.450 4.000 1.00 1.34 C ATOM 170 CG1 ILE A 12 1.669 1.168 3.144 1.00 33.32 C ATOM 171 CG2 ILE A 12 0.221 3.094 3.878 1.00 41.33 C ATOM 172 CD1 ILE A 12 2.856 0.275 3.439 1.00 10.21 C ATOM 0 H ILE A 12 4.144 2.354 4.660 1.00 12.21 H new ATOM 0 HA ILE A 12 2.634 3.664 2.526 1.00 13.42 H new ATOM 0 HB ILE A 12 1.771 2.169 5.039 1.00 1.34 H new ATOM 0 HG12 ILE A 12 0.754 0.596 3.297 1.00 33.32 H new ATOM 0 HG13 ILE A 12 1.696 1.451 2.092 1.00 33.32 H new ATOM 0 HG21 ILE A 12 -0.544 2.372 4.164 1.00 41.33 H new ATOM 0 HG22 ILE A 12 0.165 3.962 4.535 1.00 41.33 H new ATOM 0 HG23 ILE A 12 0.056 3.408 2.847 1.00 41.33 H new ATOM 0 HD11 ILE A 12 2.822 -0.601 2.791 1.00 10.21 H new ATOM 0 HD12 ILE A 12 3.779 0.825 3.257 1.00 10.21 H new ATOM 0 HD13 ILE A 12 2.822 -0.043 4.481 1.00 10.21 H new ATOM 184 N SER A 13 2.140 5.843 3.663 1.00 43.03 N ATOM 185 CA SER A 13 1.883 7.148 4.289 1.00 72.12 C ATOM 186 C SER A 13 0.493 7.679 3.913 1.00 63.15 C ATOM 187 O SER A 13 0.001 7.443 2.809 1.00 61.22 O ATOM 188 CB SER A 13 2.952 8.172 3.873 1.00 21.31 C ATOM 189 OG SER A 13 2.857 8.499 2.493 1.00 74.21 O ATOM 0 H SER A 13 2.020 5.833 2.650 1.00 43.03 H new ATOM 0 HA SER A 13 1.924 7.006 5.369 1.00 72.12 H new ATOM 0 HB2 SER A 13 2.841 9.077 4.470 1.00 21.31 H new ATOM 0 HB3 SER A 13 3.943 7.770 4.085 1.00 21.31 H new ATOM 0 HG SER A 13 2.580 7.707 1.987 1.00 74.21 H new ATOM 195 N GLN A 14 -0.139 8.396 4.837 1.00 62.12 N ATOM 196 CA GLN A 14 -1.448 9.004 4.590 1.00 11.33 C ATOM 197 C GLN A 14 -1.434 10.483 5.009 1.00 52.11 C ATOM 198 O GLN A 14 -0.972 10.820 6.096 1.00 20.30 O ATOM 199 CB GLN A 14 -2.536 8.241 5.353 1.00 45.44 C ATOM 200 CG GLN A 14 -3.952 8.686 5.013 1.00 32.34 C ATOM 201 CD GLN A 14 -5.014 7.885 5.744 1.00 1.53 C ATOM 202 OE1 GLN A 14 -4.808 7.419 6.859 1.00 2.40 O ATOM 203 NE2 GLN A 14 -6.159 7.710 5.117 1.00 32.14 N ATOM 0 H GLN A 14 0.234 8.573 5.770 1.00 62.12 H new ATOM 0 HA GLN A 14 -1.667 8.948 3.524 1.00 11.33 H new ATOM 0 HB2 GLN A 14 -2.438 7.177 5.139 1.00 45.44 H new ATOM 0 HB3 GLN A 14 -2.373 8.367 6.423 1.00 45.44 H new ATOM 0 HG2 GLN A 14 -4.065 9.741 5.261 1.00 32.34 H new ATOM 0 HG3 GLN A 14 -4.109 8.592 3.938 1.00 32.34 H new ATOM 0 HE21 GLN A 14 -6.299 8.111 4.190 1.00 32.14 H new ATOM 0 HE22 GLN A 14 -6.906 7.174 5.559 1.00 32.14 H new ATOM 212 N ASN A 15 -1.917 11.358 4.126 1.00 45.02 N ATOM 213 CA ASN A 15 -1.873 12.816 4.350 1.00 42.23 C ATOM 214 C ASN A 15 -0.432 13.325 4.576 1.00 21.13 C ATOM 215 O ASN A 15 -0.227 14.446 5.043 1.00 5.11 O ATOM 216 CB ASN A 15 -2.766 13.229 5.533 1.00 61.02 C ATOM 217 CG ASN A 15 -4.234 12.908 5.302 1.00 21.11 C ATOM 218 OD1 ASN A 15 -4.956 13.669 4.669 1.00 1.24 O ATOM 219 ND2 ASN A 15 -4.696 11.800 5.839 1.00 30.24 N ATOM 0 H ASN A 15 -2.347 11.087 3.242 1.00 45.02 H new ATOM 0 HA ASN A 15 -2.257 13.280 3.442 1.00 42.23 H new ATOM 0 HB2 ASN A 15 -2.425 12.721 6.435 1.00 61.02 H new ATOM 0 HB3 ASN A 15 -2.656 14.299 5.709 1.00 61.02 H new ATOM 0 HD21 ASN A 15 -5.680 11.554 5.734 1.00 30.24 H new ATOM 0 HD22 ASN A 15 -4.070 11.186 6.361 1.00 30.24 H new ATOM 226 N GLY A 16 0.560 12.502 4.230 1.00 52.23 N ATOM 227 CA GLY A 16 1.961 12.894 4.382 1.00 44.43 C ATOM 228 C GLY A 16 2.690 12.173 5.517 1.00 43.25 C ATOM 229 O GLY A 16 3.922 12.116 5.530 1.00 43.11 O ATOM 0 H GLY A 16 0.420 11.568 3.846 1.00 52.23 H new ATOM 0 HA2 GLY A 16 2.485 12.700 3.446 1.00 44.43 H new ATOM 0 HA3 GLY A 16 2.010 13.969 4.558 1.00 44.43 H new ATOM 233 N LYS A 17 1.941 11.622 6.473 1.00 22.13 N ATOM 234 CA LYS A 17 2.540 10.943 7.635 1.00 51.01 C ATOM 235 C LYS A 17 2.576 9.415 7.450 1.00 11.32 C ATOM 236 O LYS A 17 1.635 8.819 6.930 1.00 32.44 O ATOM 237 CB LYS A 17 1.770 11.296 8.918 1.00 42.23 C ATOM 238 CG LYS A 17 0.291 10.905 8.885 1.00 23.30 C ATOM 239 CD LYS A 17 -0.410 11.186 10.211 1.00 53.34 C ATOM 240 CE LYS A 17 0.206 10.388 11.356 1.00 4.22 C ATOM 241 NZ LYS A 17 -0.507 10.612 12.640 1.00 60.42 N ATOM 0 H LYS A 17 0.921 11.630 6.471 1.00 22.13 H new ATOM 0 HA LYS A 17 3.568 11.294 7.722 1.00 51.01 H new ATOM 0 HB2 LYS A 17 2.247 10.801 9.764 1.00 42.23 H new ATOM 0 HB3 LYS A 17 1.848 12.369 9.092 1.00 42.23 H new ATOM 0 HG2 LYS A 17 -0.210 11.454 8.088 1.00 23.30 H new ATOM 0 HG3 LYS A 17 0.203 9.845 8.647 1.00 23.30 H new ATOM 0 HD2 LYS A 17 -0.350 12.251 10.436 1.00 53.34 H new ATOM 0 HD3 LYS A 17 -1.468 10.938 10.123 1.00 53.34 H new ATOM 0 HE2 LYS A 17 0.184 9.326 11.110 1.00 4.22 H new ATOM 0 HE3 LYS A 17 1.253 10.668 11.470 1.00 4.22 H new ATOM 0 HZ1 LYS A 17 -0.055 10.051 13.390 1.00 60.42 H new ATOM 0 HZ2 LYS A 17 -0.465 11.621 12.889 1.00 60.42 H new ATOM 0 HZ3 LYS A 17 -1.501 10.321 12.541 1.00 60.42 H new ATOM 255 N VAL A 18 3.665 8.782 7.887 1.00 14.12 N ATOM 256 CA VAL A 18 3.821 7.323 7.768 1.00 3.23 C ATOM 257 C VAL A 18 2.942 6.576 8.787 1.00 4.11 C ATOM 258 O VAL A 18 3.058 6.783 9.996 1.00 53.04 O ATOM 259 CB VAL A 18 5.300 6.897 7.955 1.00 35.44 C ATOM 260 CG1 VAL A 18 5.453 5.379 7.827 1.00 24.12 C ATOM 261 CG2 VAL A 18 6.198 7.621 6.954 1.00 65.51 C ATOM 0 H VAL A 18 4.455 9.253 8.328 1.00 14.12 H new ATOM 0 HA VAL A 18 3.499 7.054 6.762 1.00 3.23 H new ATOM 0 HB VAL A 18 5.611 7.181 8.960 1.00 35.44 H new ATOM 0 HG11 VAL A 18 6.500 5.106 7.962 1.00 24.12 H new ATOM 0 HG12 VAL A 18 4.848 4.887 8.589 1.00 24.12 H new ATOM 0 HG13 VAL A 18 5.120 5.062 6.839 1.00 24.12 H new ATOM 0 HG21 VAL A 18 7.232 7.309 7.101 1.00 65.51 H new ATOM 0 HG22 VAL A 18 5.885 7.374 5.940 1.00 65.51 H new ATOM 0 HG23 VAL A 18 6.119 8.697 7.106 1.00 65.51 H new ATOM 271 N ILE A 19 2.068 5.698 8.295 1.00 13.52 N ATOM 272 CA ILE A 19 1.108 4.991 9.160 1.00 54.34 C ATOM 273 C ILE A 19 1.408 3.484 9.285 1.00 74.00 C ATOM 274 O ILE A 19 0.933 2.830 10.219 1.00 63.10 O ATOM 275 CB ILE A 19 -0.347 5.180 8.652 1.00 70.12 C ATOM 276 CG1 ILE A 19 -0.494 4.630 7.222 1.00 13.35 C ATOM 277 CG2 ILE A 19 -0.746 6.656 8.711 1.00 64.12 C ATOM 278 CD1 ILE A 19 -1.896 4.741 6.663 1.00 0.13 C ATOM 0 H ILE A 19 2.000 5.456 7.306 1.00 13.52 H new ATOM 0 HA ILE A 19 1.216 5.437 10.149 1.00 54.34 H new ATOM 0 HB ILE A 19 -1.018 4.619 9.303 1.00 70.12 H new ATOM 0 HG12 ILE A 19 0.192 5.165 6.565 1.00 13.35 H new ATOM 0 HG13 ILE A 19 -0.192 3.583 7.213 1.00 13.35 H new ATOM 0 HG21 ILE A 19 -1.769 6.771 8.351 1.00 64.12 H new ATOM 0 HG22 ILE A 19 -0.681 7.010 9.740 1.00 64.12 H new ATOM 0 HG23 ILE A 19 -0.073 7.240 8.084 1.00 64.12 H new ATOM 0 HD11 ILE A 19 -1.918 4.333 5.653 1.00 0.13 H new ATOM 0 HD12 ILE A 19 -2.585 4.182 7.296 1.00 0.13 H new ATOM 0 HD13 ILE A 19 -2.196 5.789 6.638 1.00 0.13 H new ATOM 290 N ARG A 20 2.183 2.928 8.348 1.00 40.44 N ATOM 291 CA ARG A 20 2.513 1.493 8.379 1.00 24.24 C ATOM 292 C ARG A 20 3.645 1.139 7.393 1.00 2.42 C ATOM 293 O ARG A 20 3.745 1.719 6.315 1.00 35.12 O ATOM 294 CB ARG A 20 1.256 0.662 8.069 1.00 52.11 C ATOM 295 CG ARG A 20 1.463 -0.848 8.148 1.00 20.43 C ATOM 296 CD ARG A 20 1.977 -1.295 9.515 1.00 44.53 C ATOM 297 NE ARG A 20 1.044 -0.979 10.595 1.00 74.52 N ATOM 298 CZ ARG A 20 1.237 -1.308 11.846 1.00 53.31 C ATOM 299 NH1 ARG A 20 2.326 -1.901 12.211 1.00 12.40 N ATOM 300 NH2 ARG A 20 0.348 -1.018 12.737 1.00 3.22 N ATOM 0 H ARG A 20 2.591 3.440 7.566 1.00 40.44 H new ATOM 0 HA ARG A 20 2.870 1.255 9.381 1.00 24.24 H new ATOM 0 HB2 ARG A 20 0.467 0.945 8.766 1.00 52.11 H new ATOM 0 HB3 ARG A 20 0.905 0.916 7.069 1.00 52.11 H new ATOM 0 HG2 ARG A 20 0.521 -1.353 7.934 1.00 20.43 H new ATOM 0 HG3 ARG A 20 2.171 -1.156 7.378 1.00 20.43 H new ATOM 0 HD2 ARG A 20 2.157 -2.370 9.498 1.00 44.53 H new ATOM 0 HD3 ARG A 20 2.935 -0.814 9.714 1.00 44.53 H new ATOM 0 HE ARG A 20 0.191 -0.471 10.359 1.00 74.52 H new ATOM 0 HH11 ARG A 20 3.045 -2.117 11.521 1.00 12.40 H new ATOM 0 HH12 ARG A 20 2.466 -2.153 13.189 1.00 12.40 H new ATOM 0 HH21 ARG A 20 -0.506 -0.532 12.465 1.00 3.22 H new ATOM 0 HH22 ARG A 20 0.500 -1.275 13.712 1.00 3.22 H new ATOM 314 N GLU A 21 4.502 0.189 7.779 1.00 31.40 N ATOM 315 CA GLU A 21 5.632 -0.244 6.938 1.00 60.24 C ATOM 316 C GLU A 21 5.659 -1.779 6.781 1.00 55.43 C ATOM 317 O GLU A 21 5.710 -2.508 7.772 1.00 73.44 O ATOM 318 CB GLU A 21 6.947 0.233 7.574 1.00 41.43 C ATOM 319 CG GLU A 21 7.019 1.744 7.796 1.00 34.22 C ATOM 320 CD GLU A 21 8.163 2.150 8.713 1.00 40.01 C ATOM 321 OE1 GLU A 21 9.301 2.322 8.225 1.00 31.25 O ATOM 322 OE2 GLU A 21 7.934 2.284 9.937 1.00 40.10 O ATOM 0 H GLU A 21 4.438 -0.299 8.672 1.00 31.40 H new ATOM 0 HA GLU A 21 5.513 0.194 5.947 1.00 60.24 H new ATOM 0 HB2 GLU A 21 7.079 -0.271 8.531 1.00 41.43 H new ATOM 0 HB3 GLU A 21 7.778 -0.070 6.937 1.00 41.43 H new ATOM 0 HG2 GLU A 21 7.136 2.243 6.834 1.00 34.22 H new ATOM 0 HG3 GLU A 21 6.077 2.090 8.222 1.00 34.22 H new ATOM 329 N ILE A 22 5.617 -2.267 5.536 1.00 2.21 N ATOM 330 CA ILE A 22 5.667 -3.718 5.266 1.00 31.23 C ATOM 331 C ILE A 22 6.907 -4.101 4.429 1.00 41.53 C ATOM 332 O ILE A 22 7.026 -3.705 3.270 1.00 61.30 O ATOM 333 CB ILE A 22 4.398 -4.234 4.513 1.00 44.00 C ATOM 334 CG1 ILE A 22 3.117 -4.047 5.351 1.00 45.20 C ATOM 335 CG2 ILE A 22 4.559 -5.706 4.123 1.00 51.44 C ATOM 336 CD1 ILE A 22 2.602 -2.628 5.393 1.00 30.31 C ATOM 0 H ILE A 22 5.549 -1.686 4.700 1.00 2.21 H new ATOM 0 HA ILE A 22 5.717 -4.190 6.247 1.00 31.23 H new ATOM 0 HB ILE A 22 4.297 -3.635 3.608 1.00 44.00 H new ATOM 0 HG12 ILE A 22 2.336 -4.692 4.948 1.00 45.20 H new ATOM 0 HG13 ILE A 22 3.312 -4.380 6.370 1.00 45.20 H new ATOM 0 HG21 ILE A 22 3.664 -6.044 3.600 1.00 51.44 H new ATOM 0 HG22 ILE A 22 5.424 -5.817 3.470 1.00 51.44 H new ATOM 0 HG23 ILE A 22 4.703 -6.307 5.021 1.00 51.44 H new ATOM 0 HD11 ILE A 22 1.700 -2.586 6.003 1.00 30.31 H new ATOM 0 HD12 ILE A 22 3.362 -1.978 5.825 1.00 30.31 H new ATOM 0 HD13 ILE A 22 2.372 -2.294 4.381 1.00 30.31 H new ATOM 348 N PRO A 23 7.855 -4.871 5.004 1.00 74.42 N ATOM 349 CA PRO A 23 8.979 -5.436 4.238 1.00 25.13 C ATOM 350 C PRO A 23 8.513 -6.538 3.262 1.00 40.11 C ATOM 351 O PRO A 23 7.867 -7.510 3.668 1.00 5.03 O ATOM 352 CB PRO A 23 9.903 -6.006 5.326 1.00 23.15 C ATOM 353 CG PRO A 23 9.012 -6.265 6.497 1.00 23.13 C ATOM 354 CD PRO A 23 7.918 -5.229 6.434 1.00 0.24 C ATOM 0 HA PRO A 23 9.470 -4.694 3.608 1.00 25.13 H new ATOM 0 HB2 PRO A 23 10.389 -6.922 4.990 1.00 23.15 H new ATOM 0 HB3 PRO A 23 10.694 -5.301 5.581 1.00 23.15 H new ATOM 0 HG2 PRO A 23 8.597 -7.272 6.454 1.00 23.13 H new ATOM 0 HG3 PRO A 23 9.567 -6.188 7.432 1.00 23.13 H new ATOM 0 HD2 PRO A 23 6.968 -5.628 6.789 1.00 0.24 H new ATOM 0 HD3 PRO A 23 8.151 -4.363 7.053 1.00 0.24 H new ATOM 362 N LEU A 24 8.838 -6.385 1.977 1.00 11.41 N ATOM 363 CA LEU A 24 8.313 -7.277 0.931 1.00 33.32 C ATOM 364 C LEU A 24 9.236 -8.475 0.647 1.00 50.11 C ATOM 365 O LEU A 24 8.784 -9.615 0.577 1.00 61.13 O ATOM 366 CB LEU A 24 8.092 -6.485 -0.364 1.00 33.44 C ATOM 367 CG LEU A 24 7.105 -5.308 -0.258 1.00 62.23 C ATOM 368 CD1 LEU A 24 6.985 -4.586 -1.597 1.00 53.41 C ATOM 369 CD2 LEU A 24 5.734 -5.788 0.220 1.00 44.45 C ATOM 0 H LEU A 24 9.461 -5.655 1.632 1.00 11.41 H new ATOM 0 HA LEU A 24 7.369 -7.677 1.301 1.00 33.32 H new ATOM 0 HB2 LEU A 24 9.054 -6.101 -0.704 1.00 33.44 H new ATOM 0 HB3 LEU A 24 7.733 -7.170 -1.132 1.00 33.44 H new ATOM 0 HG LEU A 24 7.493 -4.605 0.479 1.00 62.23 H new ATOM 0 HD11 LEU A 24 6.283 -3.757 -1.502 1.00 53.41 H new ATOM 0 HD12 LEU A 24 7.962 -4.202 -1.892 1.00 53.41 H new ATOM 0 HD13 LEU A 24 6.624 -5.282 -2.355 1.00 53.41 H new ATOM 0 HD21 LEU A 24 5.054 -4.939 0.287 1.00 44.45 H new ATOM 0 HD22 LEU A 24 5.337 -6.516 -0.487 1.00 44.45 H new ATOM 0 HD23 LEU A 24 5.833 -6.252 1.201 1.00 44.45 H new ATOM 381 N THR A 25 10.525 -8.211 0.478 1.00 22.23 N ATOM 382 CA THR A 25 11.487 -9.256 0.110 1.00 72.54 C ATOM 383 C THR A 25 11.541 -10.389 1.145 1.00 12.14 C ATOM 384 O THR A 25 11.826 -10.160 2.321 1.00 20.44 O ATOM 385 CB THR A 25 12.898 -8.666 -0.059 1.00 2.23 C ATOM 386 OG1 THR A 25 12.824 -7.495 -0.880 1.00 71.42 O ATOM 387 CG2 THR A 25 13.846 -9.680 -0.692 1.00 3.21 C ATOM 0 H THR A 25 10.934 -7.283 0.589 1.00 22.23 H new ATOM 0 HA THR A 25 11.142 -9.672 -0.837 1.00 72.54 H new ATOM 0 HB THR A 25 13.287 -8.408 0.926 1.00 2.23 H new ATOM 0 HG1 THR A 25 13.209 -7.688 -1.760 1.00 71.42 H new ATOM 0 HG21 THR A 25 14.835 -9.235 -0.799 1.00 3.21 H new ATOM 0 HG22 THR A 25 13.912 -10.563 -0.056 1.00 3.21 H new ATOM 0 HG23 THR A 25 13.469 -9.967 -1.674 1.00 3.21 H new ATOM 395 N GLY A 26 11.268 -11.611 0.696 1.00 1.24 N ATOM 396 CA GLY A 26 11.266 -12.769 1.589 1.00 1.35 C ATOM 397 C GLY A 26 9.995 -12.886 2.430 1.00 62.14 C ATOM 398 O GLY A 26 9.897 -13.751 3.302 1.00 62.30 O ATOM 0 H GLY A 26 11.046 -11.826 -0.276 1.00 1.24 H new ATOM 0 HA2 GLY A 26 11.385 -13.676 0.996 1.00 1.35 H new ATOM 0 HA3 GLY A 26 12.128 -12.707 2.253 1.00 1.35 H new ATOM 402 N HIS A 27 9.018 -12.018 2.171 1.00 31.03 N ATOM 403 CA HIS A 27 7.754 -12.018 2.918 1.00 63.24 C ATOM 404 C HIS A 27 6.895 -13.247 2.563 1.00 64.13 C ATOM 405 O HIS A 27 6.052 -13.201 1.668 1.00 51.35 O ATOM 406 CB HIS A 27 6.993 -10.715 2.639 1.00 65.53 C ATOM 407 CG HIS A 27 5.652 -10.619 3.292 1.00 25.34 C ATOM 408 ND1 HIS A 27 4.523 -11.206 2.771 1.00 21.02 N ATOM 409 CD2 HIS A 27 5.252 -9.982 4.419 1.00 61.41 C ATOM 410 CE1 HIS A 27 3.489 -10.935 3.540 1.00 62.23 C ATOM 411 NE2 HIS A 27 3.903 -10.194 4.549 1.00 31.52 N ATOM 0 H HIS A 27 9.075 -11.302 1.447 1.00 31.03 H new ATOM 0 HA HIS A 27 7.977 -12.078 3.983 1.00 63.24 H new ATOM 0 HB2 HIS A 27 7.604 -9.876 2.971 1.00 65.53 H new ATOM 0 HB3 HIS A 27 6.865 -10.609 1.562 1.00 65.53 H new ATOM 0 HD1 HIS A 27 4.491 -11.766 1.919 1.00 21.02 H new ATOM 0 HD2 HIS A 27 5.879 -9.413 5.090 1.00 61.41 H new ATOM 0 HE1 HIS A 27 2.474 -11.264 3.373 1.00 62.23 H new ATOM 420 N LYS A 28 7.128 -14.344 3.272 1.00 51.12 N ATOM 421 CA LYS A 28 6.432 -15.612 3.009 1.00 44.03 C ATOM 422 C LYS A 28 4.911 -15.519 3.264 1.00 12.04 C ATOM 423 O LYS A 28 4.468 -15.154 4.358 1.00 55.42 O ATOM 424 CB LYS A 28 7.046 -16.729 3.870 1.00 50.43 C ATOM 425 CG LYS A 28 7.068 -16.416 5.367 1.00 0.21 C ATOM 426 CD LYS A 28 7.734 -17.523 6.179 1.00 75.22 C ATOM 427 CE LYS A 28 6.979 -18.847 6.078 1.00 42.51 C ATOM 428 NZ LYS A 28 7.600 -19.901 6.924 1.00 4.24 N ATOM 0 H LYS A 28 7.797 -14.388 4.040 1.00 51.12 H new ATOM 0 HA LYS A 28 6.563 -15.842 1.952 1.00 44.03 H new ATOM 0 HB2 LYS A 28 6.484 -17.649 3.709 1.00 50.43 H new ATOM 0 HB3 LYS A 28 8.066 -16.916 3.533 1.00 50.43 H new ATOM 0 HG2 LYS A 28 7.598 -15.478 5.532 1.00 0.21 H new ATOM 0 HG3 LYS A 28 6.047 -16.272 5.721 1.00 0.21 H new ATOM 0 HD2 LYS A 28 8.757 -17.662 5.829 1.00 75.22 H new ATOM 0 HD3 LYS A 28 7.793 -17.219 7.224 1.00 75.22 H new ATOM 0 HE2 LYS A 28 5.943 -18.699 6.383 1.00 42.51 H new ATOM 0 HE3 LYS A 28 6.961 -19.178 5.039 1.00 42.51 H new ATOM 0 HZ1 LYS A 28 7.060 -20.785 6.829 1.00 4.24 H new ATOM 0 HZ2 LYS A 28 8.581 -20.060 6.617 1.00 4.24 H new ATOM 0 HZ3 LYS A 28 7.594 -19.596 7.918 1.00 4.24 H new ATOM 442 N GLY A 29 4.117 -15.847 2.243 1.00 55.31 N ATOM 443 CA GLY A 29 2.664 -15.900 2.394 1.00 51.55 C ATOM 444 C GLY A 29 1.937 -14.649 1.901 1.00 14.20 C ATOM 445 O GLY A 29 2.504 -13.825 1.175 1.00 23.44 O ATOM 0 H GLY A 29 4.454 -16.078 1.309 1.00 55.31 H new ATOM 0 HA2 GLY A 29 2.285 -16.765 1.850 1.00 51.55 H new ATOM 0 HA3 GLY A 29 2.425 -16.055 3.446 1.00 51.55 H new ATOM 449 N ASN A 30 0.677 -14.504 2.308 1.00 61.04 N ATOM 450 CA ASN A 30 -0.173 -13.390 1.867 1.00 50.44 C ATOM 451 C ASN A 30 -0.618 -12.522 3.060 1.00 21.04 C ATOM 452 O ASN A 30 -1.151 -13.033 4.047 1.00 3.24 O ATOM 453 CB ASN A 30 -1.402 -13.942 1.135 1.00 74.02 C ATOM 454 CG ASN A 30 -2.281 -12.849 0.558 1.00 0.42 C ATOM 455 OD1 ASN A 30 -3.148 -12.309 1.236 1.00 45.43 O ATOM 456 ND2 ASN A 30 -2.077 -12.521 -0.702 1.00 20.44 N ATOM 0 H ASN A 30 0.215 -15.149 2.949 1.00 61.04 H new ATOM 0 HA ASN A 30 0.407 -12.761 1.191 1.00 50.44 H new ATOM 0 HB2 ASN A 30 -1.075 -14.601 0.331 1.00 74.02 H new ATOM 0 HB3 ASN A 30 -1.989 -14.548 1.825 1.00 74.02 H new ATOM 0 HD21 ASN A 30 -2.649 -11.799 -1.140 1.00 20.44 H new ATOM 0 HD22 ASN A 30 -1.347 -12.989 -1.239 1.00 20.44 H new ATOM 463 N GLU A 31 -0.421 -11.209 2.957 1.00 31.22 N ATOM 464 CA GLU A 31 -0.749 -10.286 4.054 1.00 63.22 C ATOM 465 C GLU A 31 -1.588 -9.097 3.562 1.00 32.22 C ATOM 466 O GLU A 31 -1.125 -8.277 2.771 1.00 21.01 O ATOM 467 CB GLU A 31 0.547 -9.808 4.719 1.00 72.13 C ATOM 468 CG GLU A 31 0.344 -8.869 5.906 1.00 62.40 C ATOM 469 CD GLU A 31 1.630 -8.639 6.690 1.00 31.44 C ATOM 470 OE1 GLU A 31 2.598 -8.101 6.114 1.00 43.41 O ATOM 471 OE2 GLU A 31 1.687 -9.016 7.879 1.00 40.34 O ATOM 0 H GLU A 31 -0.037 -10.756 2.128 1.00 31.22 H new ATOM 0 HA GLU A 31 -1.355 -10.818 4.788 1.00 63.22 H new ATOM 0 HB2 GLU A 31 1.111 -10.679 5.054 1.00 72.13 H new ATOM 0 HB3 GLU A 31 1.158 -9.301 3.972 1.00 72.13 H new ATOM 0 HG2 GLU A 31 -0.036 -7.912 5.548 1.00 62.40 H new ATOM 0 HG3 GLU A 31 -0.414 -9.285 6.570 1.00 62.40 H new ATOM 478 N GLN A 32 -2.830 -9.016 4.035 1.00 70.53 N ATOM 479 CA GLN A 32 -3.764 -7.956 3.626 1.00 71.52 C ATOM 480 C GLN A 32 -4.021 -6.966 4.780 1.00 23.53 C ATOM 481 O GLN A 32 -4.060 -7.363 5.948 1.00 22.24 O ATOM 482 CB GLN A 32 -5.091 -8.594 3.182 1.00 70.05 C ATOM 483 CG GLN A 32 -4.924 -9.733 2.177 1.00 24.12 C ATOM 484 CD GLN A 32 -6.222 -10.472 1.892 1.00 60.02 C ATOM 485 OE1 GLN A 32 -7.111 -10.539 2.732 1.00 43.33 O ATOM 486 NE2 GLN A 32 -6.330 -11.057 0.718 1.00 72.42 N ATOM 0 H GLN A 32 -3.220 -9.676 4.708 1.00 70.53 H new ATOM 0 HA GLN A 32 -3.321 -7.402 2.798 1.00 71.52 H new ATOM 0 HB2 GLN A 32 -5.613 -8.972 4.061 1.00 70.05 H new ATOM 0 HB3 GLN A 32 -5.724 -7.824 2.742 1.00 70.05 H new ATOM 0 HG2 GLN A 32 -4.529 -9.331 1.244 1.00 24.12 H new ATOM 0 HG3 GLN A 32 -4.186 -10.440 2.557 1.00 24.12 H new ATOM 0 HE21 GLN A 32 -5.572 -10.983 0.040 1.00 72.42 H new ATOM 0 HE22 GLN A 32 -7.172 -11.585 0.487 1.00 72.42 H new ATOM 495 N PHE A 33 -4.201 -5.681 4.456 1.00 43.33 N ATOM 496 CA PHE A 33 -4.485 -4.650 5.477 1.00 61.13 C ATOM 497 C PHE A 33 -5.319 -3.491 4.902 1.00 12.14 C ATOM 498 O PHE A 33 -5.173 -3.122 3.737 1.00 34.04 O ATOM 499 CB PHE A 33 -3.178 -4.124 6.098 1.00 23.42 C ATOM 500 CG PHE A 33 -2.196 -3.543 5.109 1.00 21.22 C ATOM 501 CD1 PHE A 33 -1.337 -4.369 4.395 1.00 25.23 C ATOM 502 CD2 PHE A 33 -2.119 -2.171 4.905 1.00 74.11 C ATOM 503 CE1 PHE A 33 -0.428 -3.839 3.499 1.00 40.42 C ATOM 504 CE2 PHE A 33 -1.213 -1.638 4.010 1.00 2.20 C ATOM 505 CZ PHE A 33 -0.366 -2.472 3.306 1.00 21.14 C ATOM 0 H PHE A 33 -4.157 -5.325 3.501 1.00 43.33 H new ATOM 0 HA PHE A 33 -5.077 -5.121 6.261 1.00 61.13 H new ATOM 0 HB2 PHE A 33 -3.424 -3.360 6.835 1.00 23.42 H new ATOM 0 HB3 PHE A 33 -2.693 -4.940 6.634 1.00 23.42 H new ATOM 0 HD1 PHE A 33 -1.380 -5.438 4.542 1.00 25.23 H new ATOM 0 HD2 PHE A 33 -2.776 -1.513 5.454 1.00 74.11 H new ATOM 0 HE1 PHE A 33 0.233 -4.493 2.950 1.00 40.42 H new ATOM 0 HE2 PHE A 33 -1.166 -0.569 3.860 1.00 2.20 H new ATOM 0 HZ PHE A 33 0.344 -2.056 2.606 1.00 21.14 H new ATOM 515 N THR A 34 -6.199 -2.919 5.732 1.00 11.24 N ATOM 516 CA THR A 34 -7.138 -1.874 5.280 1.00 61.23 C ATOM 517 C THR A 34 -6.718 -0.464 5.727 1.00 20.24 C ATOM 518 O THR A 34 -6.716 -0.150 6.915 1.00 72.14 O ATOM 519 CB THR A 34 -8.575 -2.144 5.799 1.00 33.33 C ATOM 520 OG1 THR A 34 -8.974 -3.481 5.460 1.00 44.23 O ATOM 521 CG2 THR A 34 -9.575 -1.149 5.213 1.00 60.23 C ATOM 0 H THR A 34 -6.284 -3.159 6.720 1.00 11.24 H new ATOM 0 HA THR A 34 -7.118 -1.915 4.191 1.00 61.23 H new ATOM 0 HB THR A 34 -8.568 -2.024 6.882 1.00 33.33 H new ATOM 0 HG1 THR A 34 -9.881 -3.646 5.792 1.00 44.23 H new ATOM 0 HG21 THR A 34 -10.572 -1.366 5.597 1.00 60.23 H new ATOM 0 HG22 THR A 34 -9.289 -0.136 5.497 1.00 60.23 H new ATOM 0 HG23 THR A 34 -9.578 -1.234 4.126 1.00 60.23 H new ATOM 529 N ILE A 35 -6.366 0.376 4.759 1.00 63.45 N ATOM 530 CA ILE A 35 -6.069 1.790 5.005 1.00 10.31 C ATOM 531 C ILE A 35 -7.353 2.637 4.917 1.00 2.51 C ATOM 532 O ILE A 35 -7.907 2.827 3.835 1.00 21.52 O ATOM 533 CB ILE A 35 -5.048 2.326 3.972 1.00 24.32 C ATOM 534 CG1 ILE A 35 -3.787 1.446 3.952 1.00 24.43 C ATOM 535 CG2 ILE A 35 -4.686 3.783 4.272 1.00 42.10 C ATOM 536 CD1 ILE A 35 -2.813 1.801 2.849 1.00 35.02 C ATOM 0 H ILE A 35 -6.278 0.100 3.781 1.00 63.45 H new ATOM 0 HA ILE A 35 -5.646 1.867 6.007 1.00 10.31 H new ATOM 0 HB ILE A 35 -5.509 2.287 2.985 1.00 24.32 H new ATOM 0 HG12 ILE A 35 -3.280 1.531 4.913 1.00 24.43 H new ATOM 0 HG13 ILE A 35 -4.084 0.403 3.840 1.00 24.43 H new ATOM 0 HG21 ILE A 35 -3.967 4.139 3.534 1.00 42.10 H new ATOM 0 HG22 ILE A 35 -5.585 4.398 4.229 1.00 42.10 H new ATOM 0 HG23 ILE A 35 -4.247 3.851 5.267 1.00 42.10 H new ATOM 0 HD11 ILE A 35 -1.949 1.138 2.899 1.00 35.02 H new ATOM 0 HD12 ILE A 35 -3.302 1.688 1.881 1.00 35.02 H new ATOM 0 HD13 ILE A 35 -2.485 2.833 2.971 1.00 35.02 H new ATOM 548 N LYS A 36 -7.829 3.134 6.051 1.00 23.33 N ATOM 549 CA LYS A 36 -9.060 3.929 6.078 1.00 13.41 C ATOM 550 C LYS A 36 -8.808 5.382 5.635 1.00 22.42 C ATOM 551 O LYS A 36 -8.223 6.174 6.376 1.00 64.13 O ATOM 552 CB LYS A 36 -9.674 3.905 7.485 1.00 15.24 C ATOM 553 CG LYS A 36 -10.067 2.510 7.958 1.00 10.31 C ATOM 554 CD LYS A 36 -10.662 2.539 9.361 1.00 45.14 C ATOM 555 CE LYS A 36 -11.055 1.149 9.845 1.00 73.32 C ATOM 556 NZ LYS A 36 -11.637 1.189 11.213 1.00 40.53 N ATOM 0 H LYS A 36 -7.388 3.005 6.962 1.00 23.33 H new ATOM 0 HA LYS A 36 -9.759 3.482 5.371 1.00 13.41 H new ATOM 0 HB2 LYS A 36 -8.961 4.331 8.191 1.00 15.24 H new ATOM 0 HB3 LYS A 36 -10.556 4.545 7.498 1.00 15.24 H new ATOM 0 HG2 LYS A 36 -10.790 2.081 7.265 1.00 10.31 H new ATOM 0 HG3 LYS A 36 -9.191 1.861 7.947 1.00 10.31 H new ATOM 0 HD2 LYS A 36 -9.939 2.972 10.052 1.00 45.14 H new ATOM 0 HD3 LYS A 36 -11.539 3.187 9.369 1.00 45.14 H new ATOM 0 HE2 LYS A 36 -11.777 0.714 9.154 1.00 73.32 H new ATOM 0 HE3 LYS A 36 -10.179 0.501 9.841 1.00 73.32 H new ATOM 0 HZ1 LYS A 36 -11.893 0.226 11.510 1.00 40.53 H new ATOM 0 HZ2 LYS A 36 -10.939 1.582 11.876 1.00 40.53 H new ATOM 0 HZ3 LYS A 36 -12.487 1.788 11.211 1.00 40.53 H new ATOM 570 N GLY A 37 -9.249 5.726 4.419 1.00 1.53 N ATOM 571 CA GLY A 37 -9.118 7.097 3.935 1.00 62.32 C ATOM 572 C GLY A 37 -10.096 8.056 4.607 1.00 62.04 C ATOM 573 O GLY A 37 -10.773 7.689 5.568 1.00 2.25 O ATOM 0 H GLY A 37 -9.693 5.082 3.764 1.00 1.53 H new ATOM 0 HA2 GLY A 37 -8.099 7.443 4.109 1.00 62.32 H new ATOM 0 HA3 GLY A 37 -9.281 7.114 2.857 1.00 62.32 H new ATOM 577 N LYS A 38 -10.177 9.283 4.102 1.00 64.11 N ATOM 578 CA LYS A 38 -11.049 10.299 4.702 1.00 21.24 C ATOM 579 C LYS A 38 -12.536 9.938 4.546 1.00 65.33 C ATOM 580 O LYS A 38 -13.132 10.148 3.488 1.00 52.54 O ATOM 581 CB LYS A 38 -10.775 11.675 4.079 1.00 64.21 C ATOM 582 CG LYS A 38 -9.314 12.115 4.171 1.00 3.12 C ATOM 583 CD LYS A 38 -9.136 13.583 3.801 1.00 74.41 C ATOM 584 CE LYS A 38 -9.802 14.510 4.816 1.00 33.51 C ATOM 585 NZ LYS A 38 -9.207 14.366 6.176 1.00 51.34 N ATOM 0 H LYS A 38 -9.656 9.601 3.285 1.00 64.11 H new ATOM 0 HA LYS A 38 -10.823 10.335 5.768 1.00 21.24 H new ATOM 0 HB2 LYS A 38 -11.073 11.655 3.031 1.00 64.21 H new ATOM 0 HB3 LYS A 38 -11.400 12.418 4.574 1.00 64.21 H new ATOM 0 HG2 LYS A 38 -8.949 11.950 5.185 1.00 3.12 H new ATOM 0 HG3 LYS A 38 -8.707 11.498 3.509 1.00 3.12 H new ATOM 0 HD2 LYS A 38 -8.073 13.816 3.739 1.00 74.41 H new ATOM 0 HD3 LYS A 38 -9.559 13.762 2.813 1.00 74.41 H new ATOM 0 HE2 LYS A 38 -9.702 15.543 4.484 1.00 33.51 H new ATOM 0 HE3 LYS A 38 -10.869 14.291 4.862 1.00 33.51 H new ATOM 0 HZ1 LYS A 38 -9.510 15.161 6.774 1.00 51.34 H new ATOM 0 HZ2 LYS A 38 -9.525 13.472 6.601 1.00 51.34 H new ATOM 0 HZ3 LYS A 38 -8.170 14.364 6.103 1.00 51.34 H new ATOM 599 N GLY A 39 -13.126 9.386 5.603 1.00 41.41 N ATOM 600 CA GLY A 39 -14.543 9.039 5.583 1.00 3.43 C ATOM 601 C GLY A 39 -14.799 7.587 5.188 1.00 4.40 C ATOM 602 O GLY A 39 -14.355 6.663 5.870 1.00 43.13 O ATOM 0 H GLY A 39 -12.648 9.171 6.478 1.00 41.41 H new ATOM 0 HA2 GLY A 39 -14.969 9.221 6.569 1.00 3.43 H new ATOM 0 HA3 GLY A 39 -15.062 9.696 4.885 1.00 3.43 H new ATOM 606 N ALA A 40 -15.508 7.384 4.080 1.00 31.33 N ATOM 607 CA ALA A 40 -15.863 6.037 3.614 1.00 23.51 C ATOM 608 C ALA A 40 -14.895 5.515 2.539 1.00 63.41 C ATOM 609 O ALA A 40 -14.993 4.366 2.105 1.00 0.11 O ATOM 610 CB ALA A 40 -17.291 6.036 3.079 1.00 22.34 C ATOM 0 H ALA A 40 -15.851 8.136 3.483 1.00 31.33 H new ATOM 0 HA ALA A 40 -15.787 5.364 4.468 1.00 23.51 H new ATOM 0 HB1 ALA A 40 -17.550 5.035 2.735 1.00 22.34 H new ATOM 0 HB2 ALA A 40 -17.977 6.336 3.872 1.00 22.34 H new ATOM 0 HB3 ALA A 40 -17.369 6.737 2.248 1.00 22.34 H new ATOM 616 N GLN A 41 -13.959 6.357 2.109 1.00 73.42 N ATOM 617 CA GLN A 41 -13.016 5.973 1.055 1.00 25.14 C ATOM 618 C GLN A 41 -11.833 5.160 1.616 1.00 64.12 C ATOM 619 O GLN A 41 -10.751 5.692 1.873 1.00 13.01 O ATOM 620 CB GLN A 41 -12.521 7.210 0.291 1.00 53.24 C ATOM 621 CG GLN A 41 -13.651 8.039 -0.322 1.00 0.10 C ATOM 622 CD GLN A 41 -13.172 9.069 -1.333 1.00 4.44 C ATOM 623 OE1 GLN A 41 -13.746 10.144 -1.463 1.00 15.21 O ATOM 624 NE2 GLN A 41 -12.151 8.728 -2.093 1.00 43.43 N ATOM 0 H GLN A 41 -13.831 7.303 2.469 1.00 73.42 H new ATOM 0 HA GLN A 41 -13.549 5.329 0.356 1.00 25.14 H new ATOM 0 HB2 GLN A 41 -11.945 7.840 0.969 1.00 53.24 H new ATOM 0 HB3 GLN A 41 -11.843 6.891 -0.501 1.00 53.24 H new ATOM 0 HG2 GLN A 41 -14.360 7.368 -0.807 1.00 0.10 H new ATOM 0 HG3 GLN A 41 -14.190 8.549 0.476 1.00 0.10 H new ATOM 0 HE21 GLN A 41 -11.695 7.826 -1.959 1.00 43.43 H new ATOM 0 HE22 GLN A 41 -11.817 9.366 -2.815 1.00 43.43 H new ATOM 633 N TYR A 42 -12.065 3.868 1.813 1.00 40.34 N ATOM 634 CA TYR A 42 -11.044 2.947 2.334 1.00 31.40 C ATOM 635 C TYR A 42 -10.122 2.419 1.216 1.00 34.30 C ATOM 636 O TYR A 42 -10.425 2.565 0.032 1.00 12.11 O ATOM 637 CB TYR A 42 -11.729 1.760 3.031 1.00 65.04 C ATOM 638 CG TYR A 42 -12.469 0.839 2.071 1.00 22.51 C ATOM 639 CD1 TYR A 42 -13.693 1.211 1.519 1.00 63.34 C ATOM 640 CD2 TYR A 42 -11.935 -0.395 1.704 1.00 3.12 C ATOM 641 CE1 TYR A 42 -14.358 0.381 0.638 1.00 5.13 C ATOM 642 CE2 TYR A 42 -12.600 -1.229 0.826 1.00 43.45 C ATOM 643 CZ TYR A 42 -13.809 -0.834 0.294 1.00 61.54 C ATOM 644 OH TYR A 42 -14.469 -1.653 -0.590 1.00 73.43 O ATOM 0 H TYR A 42 -12.962 3.423 1.619 1.00 40.34 H new ATOM 0 HA TYR A 42 -10.429 3.500 3.044 1.00 31.40 H new ATOM 0 HB2 TYR A 42 -10.978 1.183 3.570 1.00 65.04 H new ATOM 0 HB3 TYR A 42 -12.432 2.140 3.772 1.00 65.04 H new ATOM 0 HD1 TYR A 42 -14.128 2.163 1.784 1.00 63.34 H new ATOM 0 HD2 TYR A 42 -10.985 -0.705 2.113 1.00 3.12 H new ATOM 0 HE1 TYR A 42 -15.306 0.684 0.220 1.00 5.13 H new ATOM 0 HE2 TYR A 42 -12.175 -2.185 0.558 1.00 43.45 H new ATOM 0 HH TYR A 42 -14.287 -2.590 -0.366 1.00 73.43 H new ATOM 654 N ASN A 43 -9.002 1.809 1.608 1.00 60.31 N ATOM 655 CA ASN A 43 -8.095 1.129 0.668 1.00 21.11 C ATOM 656 C ASN A 43 -7.639 -0.222 1.235 1.00 63.13 C ATOM 657 O ASN A 43 -6.867 -0.275 2.186 1.00 23.42 O ATOM 658 CB ASN A 43 -6.853 1.985 0.377 1.00 61.33 C ATOM 659 CG ASN A 43 -7.178 3.281 -0.333 1.00 50.42 C ATOM 660 OD1 ASN A 43 -7.360 4.319 0.296 1.00 43.31 O ATOM 661 ND2 ASN A 43 -7.264 3.230 -1.650 1.00 33.12 N ATOM 0 H ASN A 43 -8.695 1.770 2.580 1.00 60.31 H new ATOM 0 HA ASN A 43 -8.649 0.972 -0.258 1.00 21.11 H new ATOM 0 HB2 ASN A 43 -6.346 2.209 1.315 1.00 61.33 H new ATOM 0 HB3 ASN A 43 -6.157 1.409 -0.232 1.00 61.33 H new ATOM 0 HD21 ASN A 43 -7.488 4.072 -2.179 1.00 33.12 H new ATOM 0 HD22 ASN A 43 -7.106 2.348 -2.138 1.00 33.12 H new ATOM 668 N LEU A 44 -8.109 -1.311 0.648 1.00 45.52 N ATOM 669 CA LEU A 44 -7.699 -2.652 1.076 1.00 74.40 C ATOM 670 C LEU A 44 -6.468 -3.116 0.288 1.00 51.14 C ATOM 671 O LEU A 44 -6.566 -3.495 -0.882 1.00 20.10 O ATOM 672 CB LEU A 44 -8.857 -3.646 0.898 1.00 42.23 C ATOM 673 CG LEU A 44 -8.556 -5.101 1.305 1.00 53.35 C ATOM 674 CD1 LEU A 44 -8.137 -5.187 2.771 1.00 54.31 C ATOM 675 CD2 LEU A 44 -9.764 -5.996 1.035 1.00 53.24 C ATOM 0 H LEU A 44 -8.774 -1.300 -0.125 1.00 45.52 H new ATOM 0 HA LEU A 44 -7.435 -2.612 2.133 1.00 74.40 H new ATOM 0 HB2 LEU A 44 -9.707 -3.293 1.482 1.00 42.23 H new ATOM 0 HB3 LEU A 44 -9.162 -3.636 -0.148 1.00 42.23 H new ATOM 0 HG LEU A 44 -7.723 -5.455 0.698 1.00 53.35 H new ATOM 0 HD11 LEU A 44 -7.931 -6.225 3.030 1.00 54.31 H new ATOM 0 HD12 LEU A 44 -7.240 -4.589 2.929 1.00 54.31 H new ATOM 0 HD13 LEU A 44 -8.941 -4.808 3.402 1.00 54.31 H new ATOM 0 HD21 LEU A 44 -9.531 -7.020 1.329 1.00 53.24 H new ATOM 0 HD22 LEU A 44 -10.618 -5.638 1.610 1.00 53.24 H new ATOM 0 HD23 LEU A 44 -10.006 -5.970 -0.027 1.00 53.24 H new ATOM 687 N MET A 45 -5.309 -3.066 0.932 1.00 20.21 N ATOM 688 CA MET A 45 -4.046 -3.465 0.303 1.00 45.31 C ATOM 689 C MET A 45 -3.767 -4.958 0.522 1.00 62.42 C ATOM 690 O MET A 45 -4.084 -5.512 1.576 1.00 5.35 O ATOM 691 CB MET A 45 -2.893 -2.632 0.875 1.00 65.22 C ATOM 692 CG MET A 45 -3.064 -1.132 0.682 1.00 64.44 C ATOM 693 SD MET A 45 -2.996 -0.640 -1.050 1.00 43.13 S ATOM 694 CE MET A 45 -1.277 -0.981 -1.441 1.00 41.30 C ATOM 0 H MET A 45 -5.212 -2.751 1.897 1.00 20.21 H new ATOM 0 HA MET A 45 -4.128 -3.286 -0.769 1.00 45.31 H new ATOM 0 HB2 MET A 45 -2.798 -2.843 1.940 1.00 65.22 H new ATOM 0 HB3 MET A 45 -1.962 -2.946 0.403 1.00 65.22 H new ATOM 0 HG2 MET A 45 -4.019 -0.822 1.106 1.00 64.44 H new ATOM 0 HG3 MET A 45 -2.285 -0.608 1.235 1.00 64.44 H new ATOM 0 HE1 MET A 45 -1.002 -0.460 -2.358 1.00 41.30 H new ATOM 0 HE2 MET A 45 -0.643 -0.636 -0.624 1.00 41.30 H new ATOM 0 HE3 MET A 45 -1.141 -2.054 -1.578 1.00 41.30 H new ATOM 704 N GLU A 46 -3.169 -5.607 -0.475 1.00 64.13 N ATOM 705 CA GLU A 46 -2.853 -7.036 -0.384 1.00 21.00 C ATOM 706 C GLU A 46 -1.415 -7.330 -0.834 1.00 31.43 C ATOM 707 O GLU A 46 -0.995 -6.940 -1.928 1.00 63.55 O ATOM 708 CB GLU A 46 -3.848 -7.854 -1.220 1.00 64.53 C ATOM 709 CG GLU A 46 -3.539 -9.347 -1.255 1.00 33.22 C ATOM 710 CD GLU A 46 -4.626 -10.179 -1.924 1.00 22.13 C ATOM 711 OE1 GLU A 46 -5.460 -9.617 -2.661 1.00 72.01 O ATOM 712 OE2 GLU A 46 -4.643 -11.409 -1.713 1.00 14.12 O ATOM 0 H GLU A 46 -2.893 -5.170 -1.354 1.00 64.13 H new ATOM 0 HA GLU A 46 -2.938 -7.327 0.663 1.00 21.00 H new ATOM 0 HB2 GLU A 46 -4.851 -7.709 -0.819 1.00 64.53 H new ATOM 0 HB3 GLU A 46 -3.854 -7.469 -2.240 1.00 64.53 H new ATOM 0 HG2 GLU A 46 -2.598 -9.503 -1.782 1.00 33.22 H new ATOM 0 HG3 GLU A 46 -3.396 -9.704 -0.235 1.00 33.22 H new ATOM 719 N VAL A 47 -0.665 -8.010 0.029 1.00 40.02 N ATOM 720 CA VAL A 47 0.700 -8.436 -0.282 1.00 60.13 C ATOM 721 C VAL A 47 0.744 -9.937 -0.605 1.00 50.40 C ATOM 722 O VAL A 47 0.410 -10.773 0.235 1.00 11.43 O ATOM 723 CB VAL A 47 1.667 -8.158 0.901 1.00 42.11 C ATOM 724 CG1 VAL A 47 3.105 -8.528 0.531 1.00 63.34 C ATOM 725 CG2 VAL A 47 1.576 -6.703 1.349 1.00 20.21 C ATOM 0 H VAL A 47 -0.983 -8.281 0.960 1.00 40.02 H new ATOM 0 HA VAL A 47 1.020 -7.860 -1.150 1.00 60.13 H new ATOM 0 HB VAL A 47 1.363 -8.787 1.738 1.00 42.11 H new ATOM 0 HG11 VAL A 47 3.762 -8.324 1.376 1.00 63.34 H new ATOM 0 HG12 VAL A 47 3.155 -9.588 0.280 1.00 63.34 H new ATOM 0 HG13 VAL A 47 3.424 -7.936 -0.327 1.00 63.34 H new ATOM 0 HG21 VAL A 47 2.263 -6.534 2.178 1.00 20.21 H new ATOM 0 HG22 VAL A 47 1.842 -6.049 0.518 1.00 20.21 H new ATOM 0 HG23 VAL A 47 0.558 -6.484 1.671 1.00 20.21 H new ATOM 735 N ASP A 48 1.175 -10.272 -1.816 1.00 72.21 N ATOM 736 CA ASP A 48 1.322 -11.669 -2.232 1.00 64.31 C ATOM 737 C ASP A 48 2.808 -12.031 -2.317 1.00 23.31 C ATOM 738 O ASP A 48 3.486 -11.726 -3.301 1.00 24.32 O ATOM 739 CB ASP A 48 0.634 -11.899 -3.586 1.00 33.33 C ATOM 740 CG ASP A 48 0.755 -13.335 -4.071 1.00 4.30 C ATOM 741 OD1 ASP A 48 0.150 -14.227 -3.444 1.00 62.21 O ATOM 742 OD2 ASP A 48 1.454 -13.581 -5.075 1.00 30.13 O ATOM 0 H ASP A 48 1.431 -9.593 -2.533 1.00 72.21 H new ATOM 0 HA ASP A 48 0.844 -12.312 -1.493 1.00 64.31 H new ATOM 0 HB2 ASP A 48 -0.420 -11.636 -3.502 1.00 33.33 H new ATOM 0 HB3 ASP A 48 1.071 -11.231 -4.329 1.00 33.33 H new ATOM 747 N GLY A 49 3.319 -12.657 -1.265 1.00 70.43 N ATOM 748 CA GLY A 49 4.737 -12.970 -1.201 1.00 15.43 C ATOM 749 C GLY A 49 5.606 -11.717 -1.127 1.00 5.52 C ATOM 750 O GLY A 49 5.667 -11.060 -0.088 1.00 0.32 O ATOM 0 H GLY A 49 2.778 -12.955 -0.453 1.00 70.43 H new ATOM 0 HA2 GLY A 49 4.930 -13.595 -0.329 1.00 15.43 H new ATOM 0 HA3 GLY A 49 5.018 -13.553 -2.078 1.00 15.43 H new ATOM 754 N GLU A 50 6.250 -11.373 -2.239 1.00 33.42 N ATOM 755 CA GLU A 50 7.177 -10.235 -2.287 1.00 75.21 C ATOM 756 C GLU A 50 6.643 -9.094 -3.175 1.00 24.44 C ATOM 757 O GLU A 50 7.385 -8.187 -3.552 1.00 0.14 O ATOM 758 CB GLU A 50 8.531 -10.725 -2.809 1.00 64.53 C ATOM 759 CG GLU A 50 9.099 -11.878 -1.988 1.00 34.22 C ATOM 760 CD GLU A 50 10.321 -12.519 -2.622 1.00 12.34 C ATOM 761 OE1 GLU A 50 10.153 -13.319 -3.567 1.00 11.34 O ATOM 762 OE2 GLU A 50 11.451 -12.236 -2.165 1.00 14.32 O ATOM 0 H GLU A 50 6.149 -11.866 -3.126 1.00 33.42 H new ATOM 0 HA GLU A 50 7.284 -9.831 -1.280 1.00 75.21 H new ATOM 0 HB2 GLU A 50 8.422 -11.043 -3.846 1.00 64.53 H new ATOM 0 HB3 GLU A 50 9.239 -9.897 -2.802 1.00 64.53 H new ATOM 0 HG2 GLU A 50 9.362 -11.513 -0.995 1.00 34.22 H new ATOM 0 HG3 GLU A 50 8.327 -12.636 -1.855 1.00 34.22 H new ATOM 769 N ARG A 51 5.350 -9.141 -3.490 1.00 1.54 N ATOM 770 CA ARG A 51 4.712 -8.124 -4.339 1.00 73.20 C ATOM 771 C ARG A 51 3.404 -7.616 -3.701 1.00 12.43 C ATOM 772 O ARG A 51 2.729 -8.354 -2.984 1.00 62.34 O ATOM 773 CB ARG A 51 4.449 -8.706 -5.738 1.00 50.33 C ATOM 774 CG ARG A 51 3.575 -9.956 -5.732 1.00 25.21 C ATOM 775 CD ARG A 51 3.456 -10.583 -7.119 1.00 24.10 C ATOM 776 NE ARG A 51 4.733 -11.125 -7.585 1.00 2.13 N ATOM 777 CZ ARG A 51 4.928 -11.651 -8.765 1.00 30.21 C ATOM 778 NH1 ARG A 51 3.970 -11.689 -9.640 1.00 32.11 N ATOM 779 NH2 ARG A 51 6.089 -12.129 -9.069 1.00 1.02 N ATOM 0 H ARG A 51 4.717 -9.874 -3.171 1.00 1.54 H new ATOM 0 HA ARG A 51 5.386 -7.272 -4.433 1.00 73.20 H new ATOM 0 HB2 ARG A 51 3.972 -7.944 -6.354 1.00 50.33 H new ATOM 0 HB3 ARG A 51 5.404 -8.944 -6.207 1.00 50.33 H new ATOM 0 HG2 ARG A 51 3.993 -10.686 -5.040 1.00 25.21 H new ATOM 0 HG3 ARG A 51 2.581 -9.701 -5.364 1.00 25.21 H new ATOM 0 HD2 ARG A 51 2.711 -11.379 -7.095 1.00 24.10 H new ATOM 0 HD3 ARG A 51 3.100 -9.834 -7.826 1.00 24.10 H new ATOM 0 HE ARG A 51 5.526 -11.090 -6.944 1.00 2.13 H new ATOM 0 HH11 ARG A 51 3.053 -11.306 -9.410 1.00 32.11 H new ATOM 0 HH12 ARG A 51 4.134 -12.102 -10.558 1.00 32.11 H new ATOM 0 HH21 ARG A 51 6.849 -12.095 -8.389 1.00 1.02 H new ATOM 0 HH22 ARG A 51 6.246 -12.541 -9.989 1.00 1.02 H new ATOM 793 N ILE A 52 3.044 -6.358 -3.970 1.00 63.43 N ATOM 794 CA ILE A 52 1.867 -5.735 -3.336 1.00 13.30 C ATOM 795 C ILE A 52 1.053 -4.863 -4.318 1.00 13.03 C ATOM 796 O ILE A 52 1.610 -4.230 -5.216 1.00 43.32 O ATOM 797 CB ILE A 52 2.299 -4.868 -2.120 1.00 42.44 C ATOM 798 CG1 ILE A 52 1.078 -4.222 -1.433 1.00 42.31 C ATOM 799 CG2 ILE A 52 3.308 -3.800 -2.548 1.00 14.22 C ATOM 800 CD1 ILE A 52 1.426 -3.391 -0.212 1.00 44.02 C ATOM 0 H ILE A 52 3.544 -5.750 -4.618 1.00 63.43 H new ATOM 0 HA ILE A 52 1.226 -6.552 -3.005 1.00 13.30 H new ATOM 0 HB ILE A 52 2.781 -5.525 -1.396 1.00 42.44 H new ATOM 0 HG12 ILE A 52 0.560 -3.590 -2.154 1.00 42.31 H new ATOM 0 HG13 ILE A 52 0.381 -5.007 -1.139 1.00 42.31 H new ATOM 0 HG21 ILE A 52 3.597 -3.205 -1.682 1.00 14.22 H new ATOM 0 HG22 ILE A 52 4.191 -4.281 -2.968 1.00 14.22 H new ATOM 0 HG23 ILE A 52 2.856 -3.152 -3.299 1.00 14.22 H new ATOM 0 HD11 ILE A 52 0.515 -2.971 0.214 1.00 44.02 H new ATOM 0 HD12 ILE A 52 1.916 -4.022 0.530 1.00 44.02 H new ATOM 0 HD13 ILE A 52 2.097 -2.583 -0.501 1.00 44.02 H new ATOM 812 N ARG A 53 -0.278 -4.857 -4.139 1.00 73.31 N ATOM 813 CA ARG A 53 -1.178 -3.968 -4.901 1.00 3.11 C ATOM 814 C ARG A 53 -2.528 -3.785 -4.179 1.00 71.12 C ATOM 815 O ARG A 53 -2.839 -4.504 -3.223 1.00 52.40 O ATOM 816 CB ARG A 53 -1.390 -4.490 -6.341 1.00 13.44 C ATOM 817 CG ARG A 53 -1.887 -5.935 -6.451 1.00 74.40 C ATOM 818 CD ARG A 53 -3.371 -6.086 -6.124 1.00 71.14 C ATOM 819 NE ARG A 53 -3.808 -7.478 -6.195 1.00 51.54 N ATOM 820 CZ ARG A 53 -4.447 -8.094 -5.245 1.00 52.55 C ATOM 821 NH1 ARG A 53 -4.741 -7.485 -4.145 1.00 3.02 N ATOM 822 NH2 ARG A 53 -4.805 -9.326 -5.399 1.00 15.21 N ATOM 0 H ARG A 53 -0.759 -5.460 -3.471 1.00 73.31 H new ATOM 0 HA ARG A 53 -0.698 -2.991 -4.964 1.00 3.11 H new ATOM 0 HB2 ARG A 53 -2.105 -3.839 -6.844 1.00 13.44 H new ATOM 0 HB3 ARG A 53 -0.447 -4.406 -6.882 1.00 13.44 H new ATOM 0 HG2 ARG A 53 -1.705 -6.299 -7.462 1.00 74.40 H new ATOM 0 HG3 ARG A 53 -1.307 -6.565 -5.776 1.00 74.40 H new ATOM 0 HD2 ARG A 53 -3.563 -5.696 -5.124 1.00 71.14 H new ATOM 0 HD3 ARG A 53 -3.958 -5.486 -6.819 1.00 71.14 H new ATOM 0 HE ARG A 53 -3.598 -8.001 -7.045 1.00 51.54 H new ATOM 0 HH11 ARG A 53 -4.472 -6.510 -4.014 1.00 3.02 H new ATOM 0 HH12 ARG A 53 -5.243 -7.979 -3.407 1.00 3.02 H new ATOM 0 HH21 ARG A 53 -4.586 -9.816 -6.266 1.00 15.21 H new ATOM 0 HH22 ARG A 53 -5.306 -9.808 -4.653 1.00 15.21 H new ATOM 836 N ILE A 54 -3.331 -2.826 -4.645 1.00 62.41 N ATOM 837 CA ILE A 54 -4.655 -2.576 -4.059 1.00 11.33 C ATOM 838 C ILE A 54 -5.661 -3.670 -4.457 1.00 31.14 C ATOM 839 O ILE A 54 -5.900 -3.915 -5.641 1.00 12.32 O ATOM 840 CB ILE A 54 -5.212 -1.186 -4.472 1.00 34.31 C ATOM 841 CG1 ILE A 54 -4.275 -0.070 -3.981 1.00 24.23 C ATOM 842 CG2 ILE A 54 -6.628 -0.985 -3.925 1.00 61.11 C ATOM 843 CD1 ILE A 54 -4.765 1.330 -4.298 1.00 34.43 C ATOM 0 H ILE A 54 -3.092 -2.211 -5.423 1.00 62.41 H new ATOM 0 HA ILE A 54 -4.525 -2.592 -2.977 1.00 11.33 H new ATOM 0 HB ILE A 54 -5.262 -1.142 -5.560 1.00 34.31 H new ATOM 0 HG12 ILE A 54 -4.148 -0.164 -2.902 1.00 24.23 H new ATOM 0 HG13 ILE A 54 -3.292 -0.211 -4.431 1.00 24.23 H new ATOM 0 HG21 ILE A 54 -6.999 -0.005 -4.226 1.00 61.11 H new ATOM 0 HG22 ILE A 54 -7.285 -1.759 -4.322 1.00 61.11 H new ATOM 0 HG23 ILE A 54 -6.610 -1.047 -2.837 1.00 61.11 H new ATOM 0 HD11 ILE A 54 -4.050 2.060 -3.919 1.00 34.43 H new ATOM 0 HD12 ILE A 54 -4.864 1.445 -5.377 1.00 34.43 H new ATOM 0 HD13 ILE A 54 -5.734 1.492 -3.825 1.00 34.43 H new ATOM 855 N LYS A 55 -6.235 -4.328 -3.456 1.00 71.54 N ATOM 856 CA LYS A 55 -7.217 -5.395 -3.674 1.00 75.22 C ATOM 857 C LYS A 55 -8.623 -4.823 -3.922 1.00 25.24 C ATOM 858 O LYS A 55 -9.291 -5.179 -4.891 1.00 22.42 O ATOM 859 CB LYS A 55 -7.245 -6.326 -2.456 1.00 32.41 C ATOM 860 CG LYS A 55 -8.189 -7.513 -2.607 1.00 60.23 C ATOM 861 CD LYS A 55 -8.224 -8.365 -1.343 1.00 54.00 C ATOM 862 CE LYS A 55 -9.116 -9.588 -1.511 1.00 72.44 C ATOM 863 NZ LYS A 55 -8.655 -10.456 -2.624 1.00 52.45 N ATOM 0 H LYS A 55 -6.037 -4.141 -2.473 1.00 71.54 H new ATOM 0 HA LYS A 55 -6.919 -5.954 -4.561 1.00 75.22 H new ATOM 0 HB2 LYS A 55 -6.237 -6.697 -2.272 1.00 32.41 H new ATOM 0 HB3 LYS A 55 -7.538 -5.751 -1.578 1.00 32.41 H new ATOM 0 HG2 LYS A 55 -9.193 -7.154 -2.833 1.00 60.23 H new ATOM 0 HG3 LYS A 55 -7.872 -8.126 -3.451 1.00 60.23 H new ATOM 0 HD2 LYS A 55 -7.213 -8.684 -1.092 1.00 54.00 H new ATOM 0 HD3 LYS A 55 -8.585 -7.763 -0.509 1.00 54.00 H new ATOM 0 HE2 LYS A 55 -9.127 -10.161 -0.584 1.00 72.44 H new ATOM 0 HE3 LYS A 55 -10.141 -9.268 -1.700 1.00 72.44 H new ATOM 0 HZ1 LYS A 55 -8.843 -11.451 -2.389 1.00 52.45 H new ATOM 0 HZ2 LYS A 55 -9.165 -10.204 -3.495 1.00 52.45 H new ATOM 0 HZ3 LYS A 55 -7.634 -10.322 -2.769 1.00 52.45 H new ATOM 877 N GLU A 56 -9.061 -3.938 -3.035 1.00 53.41 N ATOM 878 CA GLU A 56 -10.406 -3.355 -3.116 1.00 2.35 C ATOM 879 C GLU A 56 -10.432 -1.978 -2.437 1.00 62.00 C ATOM 880 O GLU A 56 -9.878 -1.815 -1.354 1.00 0.12 O ATOM 881 CB GLU A 56 -11.398 -4.309 -2.425 1.00 1.32 C ATOM 882 CG GLU A 56 -12.861 -3.884 -2.494 1.00 12.22 C ATOM 883 CD GLU A 56 -13.782 -4.864 -1.774 1.00 45.33 C ATOM 884 OE1 GLU A 56 -13.840 -6.041 -2.183 1.00 63.04 O ATOM 885 OE2 GLU A 56 -14.451 -4.460 -0.796 1.00 11.24 O ATOM 0 H GLU A 56 -8.507 -3.604 -2.247 1.00 53.41 H new ATOM 0 HA GLU A 56 -10.688 -3.223 -4.161 1.00 2.35 H new ATOM 0 HB2 GLU A 56 -11.301 -5.297 -2.875 1.00 1.32 H new ATOM 0 HB3 GLU A 56 -11.114 -4.407 -1.377 1.00 1.32 H new ATOM 0 HG2 GLU A 56 -12.971 -2.894 -2.052 1.00 12.22 H new ATOM 0 HG3 GLU A 56 -13.165 -3.803 -3.538 1.00 12.22 H new ATOM 892 N ASP A 57 -11.082 -0.993 -3.051 1.00 31.50 N ATOM 893 CA ASP A 57 -11.157 0.342 -2.445 1.00 22.01 C ATOM 894 C ASP A 57 -12.358 1.145 -2.970 1.00 62.42 C ATOM 895 O ASP A 57 -13.173 0.649 -3.757 1.00 31.34 O ATOM 896 CB ASP A 57 -9.834 1.116 -2.656 1.00 35.13 C ATOM 897 CG ASP A 57 -9.796 1.961 -3.920 1.00 34.33 C ATOM 898 OD1 ASP A 57 -9.543 1.405 -5.005 1.00 74.11 O ATOM 899 OD2 ASP A 57 -10.010 3.192 -3.823 1.00 50.23 O ATOM 0 H ASP A 57 -11.557 -1.085 -3.949 1.00 31.50 H new ATOM 0 HA ASP A 57 -11.307 0.206 -1.374 1.00 22.01 H new ATOM 0 HB2 ASP A 57 -9.665 1.763 -1.795 1.00 35.13 H new ATOM 0 HB3 ASP A 57 -9.010 0.403 -2.685 1.00 35.13 H new ATOM 904 N ASN A 58 -12.458 2.386 -2.511 1.00 73.04 N ATOM 905 CA ASN A 58 -13.559 3.277 -2.880 1.00 25.44 C ATOM 906 C ASN A 58 -13.035 4.481 -3.685 1.00 15.51 C ATOM 907 O ASN A 58 -12.870 5.583 -3.152 1.00 1.54 O ATOM 908 CB ASN A 58 -14.278 3.750 -1.607 1.00 44.22 C ATOM 909 CG ASN A 58 -15.547 4.541 -1.877 1.00 65.01 C ATOM 910 OD1 ASN A 58 -15.704 5.178 -2.912 1.00 71.44 O ATOM 911 ND2 ASN A 58 -16.461 4.517 -0.933 1.00 62.44 N ATOM 0 H ASN A 58 -11.781 2.806 -1.874 1.00 73.04 H new ATOM 0 HA ASN A 58 -14.264 2.734 -3.510 1.00 25.44 H new ATOM 0 HB2 ASN A 58 -14.525 2.881 -0.997 1.00 44.22 H new ATOM 0 HB3 ASN A 58 -13.595 4.366 -1.023 1.00 44.22 H new ATOM 0 HD21 ASN A 58 -17.330 5.038 -1.051 1.00 62.44 H new ATOM 0 HD22 ASN A 58 -16.301 3.977 -0.082 1.00 62.44 H new ATOM 918 N SER A 59 -12.706 4.252 -4.951 1.00 23.34 N ATOM 919 CA SER A 59 -12.283 5.335 -5.853 1.00 70.31 C ATOM 920 C SER A 59 -12.931 5.198 -7.236 1.00 50.10 C ATOM 921 O SER A 59 -13.193 4.087 -7.692 1.00 63.54 O ATOM 922 CB SER A 59 -10.751 5.339 -6.003 1.00 51.04 C ATOM 923 OG SER A 59 -10.324 6.237 -7.024 1.00 34.20 O ATOM 0 H SER A 59 -12.722 3.328 -5.383 1.00 23.34 H new ATOM 0 HA SER A 59 -12.609 6.276 -5.411 1.00 70.31 H new ATOM 0 HB2 SER A 59 -10.293 5.622 -5.055 1.00 51.04 H new ATOM 0 HB3 SER A 59 -10.405 4.332 -6.236 1.00 51.04 H new ATOM 0 HG SER A 59 -9.350 6.337 -6.985 1.00 34.20 H new ATOM 929 N PRO A 60 -13.204 6.326 -7.924 1.00 4.40 N ATOM 930 CA PRO A 60 -13.693 6.297 -9.314 1.00 35.22 C ATOM 931 C PRO A 60 -12.574 5.929 -10.302 1.00 24.05 C ATOM 932 O PRO A 60 -12.829 5.570 -11.455 1.00 12.41 O ATOM 933 CB PRO A 60 -14.183 7.733 -9.542 1.00 70.31 C ATOM 934 CG PRO A 60 -13.348 8.565 -8.624 1.00 12.55 C ATOM 935 CD PRO A 60 -13.067 7.708 -7.412 1.00 43.51 C ATOM 0 HA PRO A 60 -14.468 5.547 -9.473 1.00 35.22 H new ATOM 0 HB2 PRO A 60 -14.053 8.036 -10.581 1.00 70.31 H new ATOM 0 HB3 PRO A 60 -15.244 7.831 -9.312 1.00 70.31 H new ATOM 0 HG2 PRO A 60 -12.420 8.868 -9.110 1.00 12.55 H new ATOM 0 HG3 PRO A 60 -13.873 9.478 -8.342 1.00 12.55 H new ATOM 0 HD2 PRO A 60 -12.069 7.891 -7.014 1.00 43.51 H new ATOM 0 HD3 PRO A 60 -13.773 7.909 -6.606 1.00 43.51 H new ATOM 943 N ASP A 61 -11.332 6.022 -9.834 1.00 63.31 N ATOM 944 CA ASP A 61 -10.157 5.681 -10.638 1.00 31.21 C ATOM 945 C ASP A 61 -9.543 4.343 -10.201 1.00 40.14 C ATOM 946 O ASP A 61 -9.179 3.514 -11.034 1.00 41.13 O ATOM 947 CB ASP A 61 -9.113 6.792 -10.517 1.00 51.14 C ATOM 948 CG ASP A 61 -9.684 8.141 -10.898 1.00 62.20 C ATOM 949 OD1 ASP A 61 -9.684 8.475 -12.102 1.00 14.35 O ATOM 950 OD2 ASP A 61 -10.150 8.870 -10.001 1.00 24.35 O ATOM 0 H ASP A 61 -11.110 6.335 -8.889 1.00 63.31 H new ATOM 0 HA ASP A 61 -10.475 5.581 -11.676 1.00 31.21 H new ATOM 0 HB2 ASP A 61 -8.740 6.831 -9.494 1.00 51.14 H new ATOM 0 HB3 ASP A 61 -8.262 6.563 -11.158 1.00 51.14 H new ATOM 955 N GLN A 62 -9.433 4.144 -8.884 1.00 43.22 N ATOM 956 CA GLN A 62 -8.806 2.938 -8.322 1.00 22.31 C ATOM 957 C GLN A 62 -7.404 2.728 -8.917 1.00 2.23 C ATOM 958 O GLN A 62 -7.092 1.672 -9.479 1.00 52.41 O ATOM 959 CB GLN A 62 -9.691 1.708 -8.555 1.00 30.32 C ATOM 960 CG GLN A 62 -11.101 1.868 -8.001 1.00 64.25 C ATOM 961 CD GLN A 62 -11.763 0.545 -7.678 1.00 15.34 C ATOM 962 OE1 GLN A 62 -12.433 -0.058 -8.509 1.00 62.20 O ATOM 963 NE2 GLN A 62 -11.574 0.087 -6.460 1.00 50.15 N ATOM 0 H GLN A 62 -9.770 4.804 -8.183 1.00 43.22 H new ATOM 0 HA GLN A 62 -8.699 3.077 -7.246 1.00 22.31 H new ATOM 0 HB2 GLN A 62 -9.749 1.508 -9.625 1.00 30.32 H new ATOM 0 HB3 GLN A 62 -9.223 0.839 -8.093 1.00 30.32 H new ATOM 0 HG2 GLN A 62 -11.064 2.479 -7.099 1.00 64.25 H new ATOM 0 HG3 GLN A 62 -11.712 2.406 -8.726 1.00 64.25 H new ATOM 0 HE21 GLN A 62 -11.010 0.619 -5.797 1.00 50.15 H new ATOM 0 HE22 GLN A 62 -11.992 -0.800 -6.178 1.00 50.15 H new ATOM 972 N VAL A 63 -6.562 3.746 -8.765 1.00 34.52 N ATOM 973 CA VAL A 63 -5.247 3.795 -9.413 1.00 42.52 C ATOM 974 C VAL A 63 -4.398 2.547 -9.130 1.00 2.42 C ATOM 975 O VAL A 63 -3.812 1.975 -10.045 1.00 64.35 O ATOM 976 CB VAL A 63 -4.466 5.058 -8.972 1.00 53.01 C ATOM 977 CG1 VAL A 63 -3.131 5.168 -9.709 1.00 13.40 C ATOM 978 CG2 VAL A 63 -5.312 6.313 -9.184 1.00 11.34 C ATOM 0 H VAL A 63 -6.768 4.563 -8.190 1.00 34.52 H new ATOM 0 HA VAL A 63 -5.436 3.831 -10.486 1.00 42.52 H new ATOM 0 HB VAL A 63 -4.249 4.967 -7.908 1.00 53.01 H new ATOM 0 HG11 VAL A 63 -2.606 6.064 -9.379 1.00 13.40 H new ATOM 0 HG12 VAL A 63 -2.522 4.290 -9.492 1.00 13.40 H new ATOM 0 HG13 VAL A 63 -3.312 5.228 -10.782 1.00 13.40 H new ATOM 0 HG21 VAL A 63 -4.747 7.190 -8.869 1.00 11.34 H new ATOM 0 HG22 VAL A 63 -5.567 6.406 -10.240 1.00 11.34 H new ATOM 0 HG23 VAL A 63 -6.226 6.239 -8.595 1.00 11.34 H new ATOM 988 N GLY A 64 -4.333 2.125 -7.869 1.00 42.11 N ATOM 989 CA GLY A 64 -3.556 0.937 -7.514 1.00 34.51 C ATOM 990 C GLY A 64 -4.034 -0.330 -8.223 1.00 75.33 C ATOM 991 O GLY A 64 -3.238 -1.225 -8.513 1.00 33.42 O ATOM 0 H GLY A 64 -4.801 2.580 -7.085 1.00 42.11 H new ATOM 0 HA2 GLY A 64 -2.508 1.110 -7.760 1.00 34.51 H new ATOM 0 HA3 GLY A 64 -3.610 0.785 -6.436 1.00 34.51 H new ATOM 995 N VAL A 65 -5.335 -0.405 -8.505 1.00 12.32 N ATOM 996 CA VAL A 65 -5.898 -1.524 -9.269 1.00 31.53 C ATOM 997 C VAL A 65 -5.361 -1.515 -10.712 1.00 60.22 C ATOM 998 O VAL A 65 -5.094 -2.566 -11.297 1.00 0.33 O ATOM 999 CB VAL A 65 -7.450 -1.468 -9.289 1.00 3.32 C ATOM 1000 CG1 VAL A 65 -8.036 -2.670 -10.030 1.00 71.25 C ATOM 1001 CG2 VAL A 65 -8.008 -1.383 -7.866 1.00 23.13 C ATOM 0 H VAL A 65 -6.020 0.294 -8.217 1.00 12.32 H new ATOM 0 HA VAL A 65 -5.592 -2.447 -8.776 1.00 31.53 H new ATOM 0 HB VAL A 65 -7.745 -0.567 -9.827 1.00 3.32 H new ATOM 0 HG11 VAL A 65 -9.124 -2.604 -10.028 1.00 71.25 H new ATOM 0 HG12 VAL A 65 -7.675 -2.675 -11.058 1.00 71.25 H new ATOM 0 HG13 VAL A 65 -7.728 -3.590 -9.533 1.00 71.25 H new ATOM 0 HG21 VAL A 65 -9.097 -1.345 -7.904 1.00 23.13 H new ATOM 0 HG22 VAL A 65 -7.695 -2.260 -7.300 1.00 23.13 H new ATOM 0 HG23 VAL A 65 -7.630 -0.483 -7.380 1.00 23.13 H new ATOM 1011 N LYS A 66 -5.215 -0.315 -11.279 1.00 14.41 N ATOM 1012 CA LYS A 66 -4.593 -0.142 -12.602 1.00 21.11 C ATOM 1013 C LYS A 66 -3.056 -0.276 -12.539 1.00 22.52 C ATOM 1014 O LYS A 66 -2.420 -0.669 -13.522 1.00 2.11 O ATOM 1015 CB LYS A 66 -4.971 1.222 -13.209 1.00 55.13 C ATOM 1016 CG LYS A 66 -6.375 1.283 -13.821 1.00 32.32 C ATOM 1017 CD LYS A 66 -7.486 1.164 -12.777 1.00 71.21 C ATOM 1018 CE LYS A 66 -8.866 1.315 -13.413 1.00 2.31 C ATOM 1019 NZ LYS A 66 -9.961 1.289 -12.407 1.00 54.34 N ATOM 0 H LYS A 66 -5.519 0.556 -10.844 1.00 14.41 H new ATOM 0 HA LYS A 66 -4.976 -0.939 -13.240 1.00 21.11 H new ATOM 0 HB2 LYS A 66 -4.894 1.984 -12.433 1.00 55.13 H new ATOM 0 HB3 LYS A 66 -4.242 1.476 -13.979 1.00 55.13 H new ATOM 0 HG2 LYS A 66 -6.490 2.223 -14.361 1.00 32.32 H new ATOM 0 HG3 LYS A 66 -6.482 0.481 -14.551 1.00 32.32 H new ATOM 0 HD2 LYS A 66 -7.417 0.197 -12.279 1.00 71.21 H new ATOM 0 HD3 LYS A 66 -7.351 1.928 -12.011 1.00 71.21 H new ATOM 0 HE2 LYS A 66 -8.907 2.253 -13.966 1.00 2.31 H new ATOM 0 HE3 LYS A 66 -9.020 0.513 -14.134 1.00 2.31 H new ATOM 0 HZ1 LYS A 66 -10.864 1.088 -12.882 1.00 54.34 H new ATOM 0 HZ2 LYS A 66 -9.768 0.548 -11.703 1.00 54.34 H new ATOM 0 HZ3 LYS A 66 -10.018 2.212 -11.931 1.00 54.34 H new ATOM 1033 N MET A 67 -2.468 0.065 -11.391 1.00 4.31 N ATOM 1034 CA MET A 67 -1.005 0.012 -11.204 1.00 73.03 C ATOM 1035 C MET A 67 -0.443 -1.415 -11.339 1.00 53.30 C ATOM 1036 O MET A 67 0.555 -1.637 -12.031 1.00 45.12 O ATOM 1037 CB MET A 67 -0.620 0.598 -9.835 1.00 62.43 C ATOM 1038 CG MET A 67 -0.613 2.123 -9.799 1.00 32.14 C ATOM 1039 SD MET A 67 0.609 2.832 -10.924 1.00 23.11 S ATOM 1040 CE MET A 67 0.433 4.582 -10.576 1.00 60.53 C ATOM 0 H MET A 67 -2.980 0.383 -10.569 1.00 4.31 H new ATOM 0 HA MET A 67 -0.563 0.612 -11.999 1.00 73.03 H new ATOM 0 HB2 MET A 67 -1.318 0.229 -9.083 1.00 62.43 H new ATOM 0 HB3 MET A 67 0.369 0.233 -9.559 1.00 62.43 H new ATOM 0 HG2 MET A 67 -1.603 2.495 -10.062 1.00 32.14 H new ATOM 0 HG3 MET A 67 -0.406 2.459 -8.783 1.00 32.14 H new ATOM 0 HE1 MET A 67 1.208 5.138 -11.103 1.00 60.53 H new ATOM 0 HE2 MET A 67 -0.548 4.922 -10.909 1.00 60.53 H new ATOM 0 HE3 MET A 67 0.531 4.751 -9.504 1.00 60.53 H new ATOM 1050 N GLY A 68 -1.076 -2.375 -10.674 1.00 10.14 N ATOM 1051 CA GLY A 68 -0.610 -3.759 -10.733 1.00 35.32 C ATOM 1052 C GLY A 68 0.341 -4.123 -9.594 1.00 34.22 C ATOM 1053 O GLY A 68 0.445 -3.394 -8.607 1.00 51.44 O ATOM 0 H GLY A 68 -1.902 -2.226 -10.095 1.00 10.14 H new ATOM 0 HA2 GLY A 68 -1.471 -4.427 -10.706 1.00 35.32 H new ATOM 0 HA3 GLY A 68 -0.107 -3.926 -11.685 1.00 35.32 H new ATOM 1057 N TRP A 69 1.041 -5.247 -9.733 1.00 11.23 N ATOM 1058 CA TRP A 69 1.927 -5.747 -8.672 1.00 11.52 C ATOM 1059 C TRP A 69 3.250 -4.962 -8.591 1.00 33.31 C ATOM 1060 O TRP A 69 4.066 -4.977 -9.521 1.00 54.34 O ATOM 1061 CB TRP A 69 2.214 -7.244 -8.873 1.00 13.43 C ATOM 1062 CG TRP A 69 1.013 -8.125 -8.650 1.00 24.24 C ATOM 1063 CD1 TRP A 69 0.258 -8.748 -9.604 1.00 54.55 C ATOM 1064 CD2 TRP A 69 0.430 -8.472 -7.388 1.00 33.31 C ATOM 1065 NE1 TRP A 69 -0.749 -9.468 -9.010 1.00 63.11 N ATOM 1066 CE2 TRP A 69 -0.665 -9.315 -7.650 1.00 74.41 C ATOM 1067 CE3 TRP A 69 0.731 -8.156 -6.060 1.00 44.13 C ATOM 1068 CZ2 TRP A 69 -1.458 -9.842 -6.635 1.00 4.43 C ATOM 1069 CZ3 TRP A 69 -0.057 -8.681 -5.054 1.00 75.55 C ATOM 1070 CH2 TRP A 69 -1.139 -9.517 -5.346 1.00 34.51 C ATOM 0 H TRP A 69 1.015 -5.832 -10.568 1.00 11.23 H new ATOM 0 HA TRP A 69 1.404 -5.601 -7.727 1.00 11.52 H new ATOM 0 HB2 TRP A 69 2.586 -7.401 -9.885 1.00 13.43 H new ATOM 0 HB3 TRP A 69 3.008 -7.548 -8.191 1.00 13.43 H new ATOM 0 HD1 TRP A 69 0.428 -8.683 -10.669 1.00 54.55 H new ATOM 0 HE1 TRP A 69 -1.447 -10.027 -9.501 1.00 63.11 H new ATOM 0 HE3 TRP A 69 1.566 -7.512 -5.824 1.00 44.13 H new ATOM 0 HZ2 TRP A 69 -2.296 -10.485 -6.858 1.00 4.43 H new ATOM 0 HZ3 TRP A 69 0.166 -8.442 -4.025 1.00 75.55 H new ATOM 0 HH2 TRP A 69 -1.735 -9.914 -4.537 1.00 34.51 H new ATOM 1081 N LYS A 70 3.447 -4.272 -7.469 1.00 53.12 N ATOM 1082 CA LYS A 70 4.689 -3.537 -7.188 1.00 43.22 C ATOM 1083 C LYS A 70 5.652 -4.411 -6.354 1.00 35.02 C ATOM 1084 O LYS A 70 5.197 -5.170 -5.495 1.00 70.20 O ATOM 1085 CB LYS A 70 4.349 -2.253 -6.411 1.00 41.43 C ATOM 1086 CG LYS A 70 3.324 -1.329 -7.084 1.00 35.43 C ATOM 1087 CD LYS A 70 3.900 -0.590 -8.297 1.00 1.34 C ATOM 1088 CE LYS A 70 3.761 -1.378 -9.596 1.00 73.12 C ATOM 1089 NZ LYS A 70 4.514 -0.738 -10.709 1.00 42.25 N ATOM 0 H LYS A 70 2.752 -4.204 -6.725 1.00 53.12 H new ATOM 0 HA LYS A 70 5.177 -3.282 -8.129 1.00 43.22 H new ATOM 0 HB2 LYS A 70 3.970 -2.533 -5.428 1.00 41.43 H new ATOM 0 HB3 LYS A 70 5.269 -1.691 -6.250 1.00 41.43 H new ATOM 0 HG2 LYS A 70 2.462 -1.917 -7.398 1.00 35.43 H new ATOM 0 HG3 LYS A 70 2.965 -0.601 -6.357 1.00 35.43 H new ATOM 0 HD2 LYS A 70 3.394 0.370 -8.405 1.00 1.34 H new ATOM 0 HD3 LYS A 70 4.954 -0.377 -8.119 1.00 1.34 H new ATOM 0 HE2 LYS A 70 4.126 -2.394 -9.446 1.00 73.12 H new ATOM 0 HE3 LYS A 70 2.707 -1.454 -9.865 1.00 73.12 H new ATOM 0 HZ1 LYS A 70 4.496 -1.359 -11.543 1.00 42.25 H new ATOM 0 HZ2 LYS A 70 4.074 0.174 -10.947 1.00 42.25 H new ATOM 0 HZ3 LYS A 70 5.499 -0.581 -10.416 1.00 42.25 H new ATOM 1103 N SER A 71 6.973 -4.319 -6.596 1.00 42.43 N ATOM 1104 CA SER A 71 7.938 -5.162 -5.845 1.00 31.22 C ATOM 1105 C SER A 71 9.415 -4.736 -6.001 1.00 11.31 C ATOM 1106 O SER A 71 10.312 -5.477 -5.593 1.00 60.01 O ATOM 1107 CB SER A 71 7.799 -6.636 -6.268 1.00 63.33 C ATOM 1108 OG SER A 71 8.099 -6.818 -7.647 1.00 33.55 O ATOM 0 H SER A 71 7.393 -3.692 -7.282 1.00 42.43 H new ATOM 0 HA SER A 71 7.681 -5.026 -4.795 1.00 31.22 H new ATOM 0 HB2 SER A 71 8.467 -7.252 -5.666 1.00 63.33 H new ATOM 0 HB3 SER A 71 6.783 -6.978 -6.068 1.00 63.33 H new ATOM 0 HG SER A 71 8.002 -7.765 -7.881 1.00 33.55 H new ATOM 1114 N LYS A 72 9.679 -3.554 -6.558 1.00 40.42 N ATOM 1115 CA LYS A 72 11.065 -3.079 -6.747 1.00 42.42 C ATOM 1116 C LYS A 72 11.249 -1.635 -6.248 1.00 33.33 C ATOM 1117 O LYS A 72 10.302 -0.848 -6.232 1.00 22.13 O ATOM 1118 CB LYS A 72 11.476 -3.178 -8.227 1.00 65.12 C ATOM 1119 CG LYS A 72 11.620 -4.612 -8.739 1.00 1.30 C ATOM 1120 CD LYS A 72 11.934 -4.662 -10.236 1.00 13.50 C ATOM 1121 CE LYS A 72 13.278 -4.018 -10.574 1.00 63.15 C ATOM 1122 NZ LYS A 72 14.432 -4.801 -10.047 1.00 41.43 N ATOM 0 H LYS A 72 8.963 -2.906 -6.887 1.00 40.42 H new ATOM 0 HA LYS A 72 11.710 -3.725 -6.151 1.00 42.42 H new ATOM 0 HB2 LYS A 72 10.735 -2.659 -8.835 1.00 65.12 H new ATOM 0 HB3 LYS A 72 12.423 -2.657 -8.366 1.00 65.12 H new ATOM 0 HG2 LYS A 72 12.413 -5.116 -8.186 1.00 1.30 H new ATOM 0 HG3 LYS A 72 10.698 -5.160 -8.544 1.00 1.30 H new ATOM 0 HD2 LYS A 72 11.938 -5.700 -10.569 1.00 13.50 H new ATOM 0 HD3 LYS A 72 11.143 -4.154 -10.787 1.00 13.50 H new ATOM 0 HE2 LYS A 72 13.371 -3.923 -11.656 1.00 63.15 H new ATOM 0 HE3 LYS A 72 13.308 -3.009 -10.162 1.00 63.15 H new ATOM 0 HZ1 LYS A 72 15.292 -4.551 -10.576 1.00 41.43 H new ATOM 0 HZ2 LYS A 72 14.569 -4.582 -9.040 1.00 41.43 H new ATOM 0 HZ3 LYS A 72 14.241 -5.817 -10.157 1.00 41.43 H new ATOM 1136 N ALA A 73 12.479 -1.293 -5.850 1.00 63.33 N ATOM 1137 CA ALA A 73 12.795 0.054 -5.350 1.00 15.14 C ATOM 1138 C ALA A 73 12.536 1.134 -6.413 1.00 65.52 C ATOM 1139 O ALA A 73 13.353 1.354 -7.309 1.00 40.11 O ATOM 1140 CB ALA A 73 14.241 0.121 -4.868 1.00 4.00 C ATOM 0 H ALA A 73 13.275 -1.930 -5.864 1.00 63.33 H new ATOM 0 HA ALA A 73 12.131 0.253 -4.509 1.00 15.14 H new ATOM 0 HB1 ALA A 73 14.456 1.125 -4.502 1.00 4.00 H new ATOM 0 HB2 ALA A 73 14.390 -0.599 -4.063 1.00 4.00 H new ATOM 0 HB3 ALA A 73 14.911 -0.115 -5.694 1.00 4.00 H new ATOM 1146 N GLY A 74 11.398 1.806 -6.296 1.00 41.43 N ATOM 1147 CA GLY A 74 10.979 2.783 -7.297 1.00 14.13 C ATOM 1148 C GLY A 74 9.478 2.733 -7.551 1.00 35.32 C ATOM 1149 O GLY A 74 8.877 3.713 -8.001 1.00 35.45 O ATOM 0 H GLY A 74 10.747 1.694 -5.518 1.00 41.43 H new ATOM 0 HA2 GLY A 74 11.257 3.783 -6.966 1.00 14.13 H new ATOM 0 HA3 GLY A 74 11.511 2.597 -8.230 1.00 14.13 H new ATOM 1153 N ASP A 75 8.876 1.580 -7.268 1.00 41.35 N ATOM 1154 CA ASP A 75 7.433 1.410 -7.351 1.00 71.41 C ATOM 1155 C ASP A 75 6.710 2.221 -6.265 1.00 32.30 C ATOM 1156 O ASP A 75 7.027 2.110 -5.078 1.00 23.53 O ATOM 1157 CB ASP A 75 7.076 -0.071 -7.203 1.00 54.42 C ATOM 1158 CG ASP A 75 7.445 -0.897 -8.423 1.00 12.25 C ATOM 1159 OD1 ASP A 75 7.171 -0.451 -9.559 1.00 33.25 O ATOM 1160 OD2 ASP A 75 7.983 -2.010 -8.254 1.00 51.35 O ATOM 0 H ASP A 75 9.376 0.741 -6.976 1.00 41.35 H new ATOM 0 HA ASP A 75 7.108 1.775 -8.325 1.00 71.41 H new ATOM 0 HB2 ASP A 75 7.586 -0.476 -6.329 1.00 54.42 H new ATOM 0 HB3 ASP A 75 6.006 -0.164 -7.019 1.00 54.42 H new ATOM 1165 N THR A 76 5.740 3.033 -6.672 1.00 60.23 N ATOM 1166 CA THR A 76 4.946 3.826 -5.725 1.00 63.13 C ATOM 1167 C THR A 76 3.452 3.778 -6.074 1.00 23.41 C ATOM 1168 O THR A 76 3.077 3.669 -7.243 1.00 0.45 O ATOM 1169 CB THR A 76 5.408 5.309 -5.671 1.00 44.51 C ATOM 1170 OG1 THR A 76 5.320 5.920 -6.971 1.00 61.41 O ATOM 1171 CG2 THR A 76 6.840 5.426 -5.151 1.00 65.32 C ATOM 0 H THR A 76 5.481 3.163 -7.650 1.00 60.23 H new ATOM 0 HA THR A 76 5.104 3.378 -4.744 1.00 63.13 H new ATOM 0 HB THR A 76 4.742 5.830 -4.983 1.00 44.51 H new ATOM 0 HG1 THR A 76 5.614 6.853 -6.914 1.00 61.41 H new ATOM 0 HG21 THR A 76 7.133 6.476 -5.125 1.00 65.32 H new ATOM 0 HG22 THR A 76 6.897 5.009 -4.146 1.00 65.32 H new ATOM 0 HG23 THR A 76 7.513 4.878 -5.811 1.00 65.32 H new ATOM 1179 N ILE A 77 2.600 3.863 -5.052 1.00 21.45 N ATOM 1180 CA ILE A 77 1.145 3.830 -5.236 1.00 42.43 C ATOM 1181 C ILE A 77 0.526 5.181 -4.866 1.00 63.25 C ATOM 1182 O ILE A 77 0.509 5.571 -3.697 1.00 15.35 O ATOM 1183 CB ILE A 77 0.490 2.711 -4.377 1.00 32.14 C ATOM 1184 CG1 ILE A 77 1.003 1.324 -4.814 1.00 64.33 C ATOM 1185 CG2 ILE A 77 -1.041 2.772 -4.460 1.00 74.44 C ATOM 1186 CD1 ILE A 77 0.659 0.966 -6.249 1.00 42.21 C ATOM 0 H ILE A 77 2.894 3.956 -4.080 1.00 21.45 H new ATOM 0 HA ILE A 77 0.954 3.618 -6.288 1.00 42.43 H new ATOM 0 HB ILE A 77 0.775 2.875 -3.338 1.00 32.14 H new ATOM 0 HG12 ILE A 77 2.086 1.292 -4.691 1.00 64.33 H new ATOM 0 HG13 ILE A 77 0.585 0.567 -4.151 1.00 64.33 H new ATOM 0 HG21 ILE A 77 -1.470 1.978 -3.849 1.00 74.44 H new ATOM 0 HG22 ILE A 77 -1.387 3.739 -4.094 1.00 74.44 H new ATOM 0 HG23 ILE A 77 -1.355 2.643 -5.496 1.00 74.44 H new ATOM 0 HD11 ILE A 77 1.053 -0.023 -6.482 1.00 42.21 H new ATOM 0 HD12 ILE A 77 -0.424 0.964 -6.374 1.00 42.21 H new ATOM 0 HD13 ILE A 77 1.100 1.700 -6.923 1.00 42.21 H new ATOM 1198 N VAL A 78 0.034 5.895 -5.873 1.00 21.34 N ATOM 1199 CA VAL A 78 -0.572 7.212 -5.670 1.00 34.31 C ATOM 1200 C VAL A 78 -2.106 7.120 -5.621 1.00 1.04 C ATOM 1201 O VAL A 78 -2.750 6.737 -6.597 1.00 51.10 O ATOM 1202 CB VAL A 78 -0.158 8.190 -6.802 1.00 41.43 C ATOM 1203 CG1 VAL A 78 -0.726 9.587 -6.556 1.00 34.34 C ATOM 1204 CG2 VAL A 78 1.362 8.238 -6.949 1.00 44.41 C ATOM 0 H VAL A 78 0.042 5.584 -6.844 1.00 21.34 H new ATOM 0 HA VAL A 78 -0.209 7.589 -4.714 1.00 34.31 H new ATOM 0 HB VAL A 78 -0.578 7.818 -7.737 1.00 41.43 H new ATOM 0 HG11 VAL A 78 -0.420 10.252 -7.364 1.00 34.34 H new ATOM 0 HG12 VAL A 78 -1.814 9.536 -6.520 1.00 34.34 H new ATOM 0 HG13 VAL A 78 -0.349 9.971 -5.608 1.00 34.34 H new ATOM 0 HG21 VAL A 78 1.629 8.930 -7.748 1.00 44.41 H new ATOM 0 HG22 VAL A 78 1.808 8.575 -6.013 1.00 44.41 H new ATOM 0 HG23 VAL A 78 1.736 7.243 -7.191 1.00 44.41 H new ATOM 1214 N CYS A 79 -2.687 7.475 -4.475 1.00 61.34 N ATOM 1215 CA CYS A 79 -4.147 7.485 -4.318 1.00 23.53 C ATOM 1216 C CYS A 79 -4.654 8.895 -3.989 1.00 50.44 C ATOM 1217 O CYS A 79 -5.050 9.179 -2.853 1.00 1.41 O ATOM 1218 CB CYS A 79 -4.581 6.503 -3.222 1.00 43.51 C ATOM 1219 SG CYS A 79 -4.181 4.776 -3.576 1.00 60.13 S ATOM 0 H CYS A 79 -2.173 7.759 -3.641 1.00 61.34 H new ATOM 0 HA CYS A 79 -4.586 7.171 -5.265 1.00 23.53 H new ATOM 0 HB2 CYS A 79 -4.106 6.790 -2.284 1.00 43.51 H new ATOM 0 HB3 CYS A 79 -5.657 6.592 -3.075 1.00 43.51 H new ATOM 0 HG CYS A 79 -4.584 4.027 -2.593 1.00 60.13 H new ATOM 1225 N LEU A 80 -4.645 9.773 -4.994 1.00 51.12 N ATOM 1226 CA LEU A 80 -5.050 11.179 -4.819 1.00 71.31 C ATOM 1227 C LEU A 80 -6.458 11.319 -4.194 1.00 32.32 C ATOM 1228 O LEU A 80 -6.620 12.036 -3.207 1.00 14.04 O ATOM 1229 CB LEU A 80 -4.975 11.937 -6.159 1.00 61.13 C ATOM 1230 CG LEU A 80 -3.574 12.011 -6.797 1.00 34.44 C ATOM 1231 CD1 LEU A 80 -3.625 12.768 -8.122 1.00 43.32 C ATOM 1232 CD2 LEU A 80 -2.578 12.659 -5.835 1.00 51.11 C ATOM 0 H LEU A 80 -4.361 9.538 -5.945 1.00 51.12 H new ATOM 0 HA LEU A 80 -4.345 11.626 -4.118 1.00 71.31 H new ATOM 0 HB2 LEU A 80 -5.653 11.459 -6.866 1.00 61.13 H new ATOM 0 HB3 LEU A 80 -5.340 12.952 -6.004 1.00 61.13 H new ATOM 0 HG LEU A 80 -3.235 10.995 -7.001 1.00 34.44 H new ATOM 0 HD11 LEU A 80 -2.626 12.809 -8.556 1.00 43.32 H new ATOM 0 HD12 LEU A 80 -4.298 12.255 -8.809 1.00 43.32 H new ATOM 0 HD13 LEU A 80 -3.987 13.781 -7.948 1.00 43.32 H new ATOM 0 HD21 LEU A 80 -1.595 12.702 -6.304 1.00 51.11 H new ATOM 0 HD22 LEU A 80 -2.910 13.669 -5.594 1.00 51.11 H new ATOM 0 HD23 LEU A 80 -2.518 12.069 -4.921 1.00 51.11 H new ATOM 1244 N PRO A 81 -7.498 10.622 -4.724 1.00 34.33 N ATOM 1245 CA PRO A 81 -8.867 10.710 -4.167 1.00 74.03 C ATOM 1246 C PRO A 81 -8.958 10.265 -2.691 1.00 22.32 C ATOM 1247 O PRO A 81 -9.973 10.482 -2.030 1.00 70.35 O ATOM 1248 CB PRO A 81 -9.688 9.759 -5.064 1.00 0.45 C ATOM 1249 CG PRO A 81 -8.888 9.606 -6.312 1.00 30.03 C ATOM 1250 CD PRO A 81 -7.446 9.721 -5.897 1.00 71.23 C ATOM 0 HA PRO A 81 -9.224 11.740 -4.165 1.00 74.03 H new ATOM 0 HB2 PRO A 81 -9.845 8.797 -4.577 1.00 0.45 H new ATOM 0 HB3 PRO A 81 -10.674 10.173 -5.277 1.00 0.45 H new ATOM 0 HG2 PRO A 81 -9.082 8.643 -6.785 1.00 30.03 H new ATOM 0 HG3 PRO A 81 -9.147 10.376 -7.039 1.00 30.03 H new ATOM 0 HD2 PRO A 81 -7.023 8.750 -5.639 1.00 71.23 H new ATOM 0 HD3 PRO A 81 -6.830 10.135 -6.695 1.00 71.23 H new ATOM 1258 N HIS A 82 -7.900 9.621 -2.184 1.00 73.15 N ATOM 1259 CA HIS A 82 -7.865 9.146 -0.786 1.00 74.21 C ATOM 1260 C HIS A 82 -6.760 9.839 0.035 1.00 4.45 C ATOM 1261 O HIS A 82 -6.723 9.712 1.258 1.00 41.34 O ATOM 1262 CB HIS A 82 -7.642 7.627 -0.745 1.00 13.24 C ATOM 1263 CG HIS A 82 -8.775 6.812 -1.300 1.00 52.42 C ATOM 1264 ND1 HIS A 82 -9.249 5.674 -0.688 1.00 71.02 N ATOM 1265 CD2 HIS A 82 -9.502 6.941 -2.435 1.00 73.12 C ATOM 1266 CE1 HIS A 82 -10.204 5.144 -1.414 1.00 21.32 C ATOM 1267 NE2 HIS A 82 -10.379 5.888 -2.479 1.00 64.00 N ATOM 0 H HIS A 82 -7.055 9.415 -2.716 1.00 73.15 H new ATOM 0 HA HIS A 82 -8.828 9.396 -0.341 1.00 74.21 H new ATOM 0 HB2 HIS A 82 -6.735 7.391 -1.302 1.00 13.24 H new ATOM 0 HB3 HIS A 82 -7.468 7.327 0.288 1.00 13.24 H new ATOM 0 HD1 HIS A 82 -8.909 5.299 0.197 1.00 71.02 H new ATOM 0 HD2 HIS A 82 -9.408 7.727 -3.169 1.00 73.12 H new ATOM 0 HE1 HIS A 82 -10.754 4.246 -1.175 1.00 21.32 H new ATOM 1276 N LYS A 83 -5.863 10.556 -0.652 1.00 42.01 N ATOM 1277 CA LYS A 83 -4.715 11.226 -0.014 1.00 20.44 C ATOM 1278 C LYS A 83 -3.738 10.219 0.622 1.00 22.14 C ATOM 1279 O LYS A 83 -3.035 10.531 1.585 1.00 32.30 O ATOM 1280 CB LYS A 83 -5.194 12.252 1.024 1.00 61.54 C ATOM 1281 CG LYS A 83 -6.088 13.332 0.425 1.00 62.04 C ATOM 1282 CD LYS A 83 -6.407 14.438 1.423 1.00 5.11 C ATOM 1283 CE LYS A 83 -7.291 15.511 0.797 1.00 3.04 C ATOM 1284 NZ LYS A 83 -6.700 16.055 -0.457 1.00 71.14 N ATOM 0 H LYS A 83 -5.909 10.690 -1.662 1.00 42.01 H new ATOM 0 HA LYS A 83 -4.170 11.752 -0.798 1.00 20.44 H new ATOM 0 HB2 LYS A 83 -5.738 11.734 1.814 1.00 61.54 H new ATOM 0 HB3 LYS A 83 -4.327 12.722 1.489 1.00 61.54 H new ATOM 0 HG2 LYS A 83 -5.598 13.764 -0.448 1.00 62.04 H new ATOM 0 HG3 LYS A 83 -7.017 12.880 0.078 1.00 62.04 H new ATOM 0 HD2 LYS A 83 -6.908 14.013 2.293 1.00 5.11 H new ATOM 0 HD3 LYS A 83 -5.480 14.889 1.778 1.00 5.11 H new ATOM 0 HE2 LYS A 83 -8.274 15.092 0.583 1.00 3.04 H new ATOM 0 HE3 LYS A 83 -7.438 16.322 1.510 1.00 3.04 H new ATOM 0 HZ1 LYS A 83 -7.195 16.930 -0.723 1.00 71.14 H new ATOM 0 HZ2 LYS A 83 -5.692 16.260 -0.305 1.00 71.14 H new ATOM 0 HZ3 LYS A 83 -6.800 15.355 -1.220 1.00 71.14 H new ATOM 1298 N VAL A 84 -3.676 9.023 0.045 1.00 33.23 N ATOM 1299 CA VAL A 84 -2.761 7.973 0.508 1.00 34.33 C ATOM 1300 C VAL A 84 -1.623 7.759 -0.503 1.00 0.22 C ATOM 1301 O VAL A 84 -1.859 7.705 -1.712 1.00 52.11 O ATOM 1302 CB VAL A 84 -3.513 6.630 0.723 1.00 10.42 C ATOM 1303 CG1 VAL A 84 -2.568 5.547 1.246 1.00 14.01 C ATOM 1304 CG2 VAL A 84 -4.703 6.817 1.667 1.00 62.14 C ATOM 0 H VAL A 84 -4.252 8.751 -0.751 1.00 33.23 H new ATOM 0 HA VAL A 84 -2.343 8.301 1.460 1.00 34.33 H new ATOM 0 HB VAL A 84 -3.895 6.302 -0.244 1.00 10.42 H new ATOM 0 HG11 VAL A 84 -3.121 4.619 1.387 1.00 14.01 H new ATOM 0 HG12 VAL A 84 -1.766 5.385 0.526 1.00 14.01 H new ATOM 0 HG13 VAL A 84 -2.143 5.864 2.198 1.00 14.01 H new ATOM 0 HG21 VAL A 84 -5.214 5.864 1.802 1.00 62.14 H new ATOM 0 HG22 VAL A 84 -4.348 7.179 2.632 1.00 62.14 H new ATOM 0 HG23 VAL A 84 -5.396 7.542 1.240 1.00 62.14 H new ATOM 1314 N PHE A 85 -0.395 7.641 -0.002 1.00 31.44 N ATOM 1315 CA PHE A 85 0.782 7.440 -0.856 1.00 34.01 C ATOM 1316 C PHE A 85 1.705 6.354 -0.280 1.00 73.20 C ATOM 1317 O PHE A 85 2.084 6.397 0.891 1.00 33.22 O ATOM 1318 CB PHE A 85 1.554 8.759 -1.014 1.00 33.41 C ATOM 1319 CG PHE A 85 2.784 8.646 -1.885 1.00 62.51 C ATOM 1320 CD1 PHE A 85 2.670 8.596 -3.268 1.00 45.41 C ATOM 1321 CD2 PHE A 85 4.054 8.589 -1.321 1.00 62.31 C ATOM 1322 CE1 PHE A 85 3.792 8.490 -4.068 1.00 52.14 C ATOM 1323 CE2 PHE A 85 5.177 8.482 -2.119 1.00 63.44 C ATOM 1324 CZ PHE A 85 5.046 8.434 -3.493 1.00 50.42 C ATOM 0 H PHE A 85 -0.185 7.681 0.995 1.00 31.44 H new ATOM 0 HA PHE A 85 0.437 7.109 -1.835 1.00 34.01 H new ATOM 0 HB2 PHE A 85 0.888 9.510 -1.438 1.00 33.41 H new ATOM 0 HB3 PHE A 85 1.850 9.116 -0.028 1.00 33.41 H new ATOM 0 HD1 PHE A 85 1.692 8.641 -3.724 1.00 45.41 H new ATOM 0 HD2 PHE A 85 4.164 8.629 -0.247 1.00 62.31 H new ATOM 0 HE1 PHE A 85 3.688 8.451 -5.142 1.00 52.14 H new ATOM 0 HE2 PHE A 85 6.157 8.436 -1.668 1.00 63.44 H new ATOM 0 HZ PHE A 85 5.924 8.353 -4.117 1.00 50.42 H new ATOM 1334 N VAL A 86 2.068 5.381 -1.109 1.00 45.22 N ATOM 1335 CA VAL A 86 2.956 4.289 -0.686 1.00 51.05 C ATOM 1336 C VAL A 86 4.212 4.224 -1.567 1.00 72.13 C ATOM 1337 O VAL A 86 4.110 4.231 -2.790 1.00 23.00 O ATOM 1338 CB VAL A 86 2.230 2.920 -0.757 1.00 22.15 C ATOM 1339 CG1 VAL A 86 3.133 1.792 -0.253 1.00 74.21 C ATOM 1340 CG2 VAL A 86 0.914 2.962 0.021 1.00 63.20 C ATOM 0 H VAL A 86 1.764 5.321 -2.081 1.00 45.22 H new ATOM 0 HA VAL A 86 3.245 4.496 0.345 1.00 51.05 H new ATOM 0 HB VAL A 86 1.996 2.716 -1.802 1.00 22.15 H new ATOM 0 HG11 VAL A 86 2.599 0.844 -0.314 1.00 74.21 H new ATOM 0 HG12 VAL A 86 4.031 1.743 -0.868 1.00 74.21 H new ATOM 0 HG13 VAL A 86 3.413 1.985 0.783 1.00 74.21 H new ATOM 0 HG21 VAL A 86 0.422 1.991 -0.043 1.00 63.20 H new ATOM 0 HG22 VAL A 86 1.116 3.198 1.066 1.00 63.20 H new ATOM 0 HG23 VAL A 86 0.264 3.726 -0.405 1.00 63.20 H new ATOM 1350 N GLU A 87 5.389 4.158 -0.951 1.00 21.11 N ATOM 1351 CA GLU A 87 6.638 4.001 -1.709 1.00 34.51 C ATOM 1352 C GLU A 87 7.302 2.648 -1.416 1.00 52.43 C ATOM 1353 O GLU A 87 7.189 2.112 -0.315 1.00 44.42 O ATOM 1354 CB GLU A 87 7.642 5.129 -1.397 1.00 71.31 C ATOM 1355 CG GLU A 87 8.233 5.064 0.013 1.00 70.34 C ATOM 1356 CD GLU A 87 9.639 5.650 0.108 1.00 32.40 C ATOM 1357 OE1 GLU A 87 10.477 5.335 -0.768 1.00 51.43 O ATOM 1358 OE2 GLU A 87 9.928 6.401 1.065 1.00 4.20 O ATOM 0 H GLU A 87 5.510 4.210 0.061 1.00 21.11 H new ATOM 0 HA GLU A 87 6.367 4.051 -2.764 1.00 34.51 H new ATOM 0 HB2 GLU A 87 8.454 5.089 -2.123 1.00 71.31 H new ATOM 0 HB3 GLU A 87 7.145 6.090 -1.528 1.00 71.31 H new ATOM 0 HG2 GLU A 87 7.577 5.600 0.699 1.00 70.34 H new ATOM 0 HG3 GLU A 87 8.257 4.025 0.341 1.00 70.34 H new ATOM 1365 N ILE A 88 7.983 2.092 -2.412 1.00 4.12 N ATOM 1366 CA ILE A 88 8.816 0.905 -2.214 1.00 42.44 C ATOM 1367 C ILE A 88 10.296 1.263 -2.380 1.00 21.40 C ATOM 1368 O ILE A 88 10.750 1.599 -3.478 1.00 73.12 O ATOM 1369 CB ILE A 88 8.433 -0.234 -3.191 1.00 70.33 C ATOM 1370 CG1 ILE A 88 6.974 -0.655 -2.955 1.00 50.05 C ATOM 1371 CG2 ILE A 88 9.371 -1.428 -3.029 1.00 3.14 C ATOM 1372 CD1 ILE A 88 6.512 -1.793 -3.839 1.00 60.32 C ATOM 0 H ILE A 88 7.976 2.444 -3.369 1.00 4.12 H new ATOM 0 HA ILE A 88 8.642 0.546 -1.200 1.00 42.44 H new ATOM 0 HB ILE A 88 8.534 0.133 -4.212 1.00 70.33 H new ATOM 0 HG12 ILE A 88 6.855 -0.947 -1.912 1.00 50.05 H new ATOM 0 HG13 ILE A 88 6.327 0.206 -3.121 1.00 50.05 H new ATOM 0 HG21 ILE A 88 9.082 -2.215 -3.726 1.00 3.14 H new ATOM 0 HG22 ILE A 88 10.395 -1.117 -3.237 1.00 3.14 H new ATOM 0 HG23 ILE A 88 9.307 -1.805 -2.008 1.00 3.14 H new ATOM 0 HD11 ILE A 88 5.473 -2.031 -3.612 1.00 60.32 H new ATOM 0 HD12 ILE A 88 6.597 -1.499 -4.885 1.00 60.32 H new ATOM 0 HD13 ILE A 88 7.133 -2.670 -3.657 1.00 60.32 H new ATOM 1384 N LYS A 89 11.043 1.200 -1.283 1.00 42.04 N ATOM 1385 CA LYS A 89 12.443 1.634 -1.271 1.00 64.41 C ATOM 1386 C LYS A 89 13.390 0.484 -0.892 1.00 74.51 C ATOM 1387 O LYS A 89 12.964 -0.525 -0.338 1.00 24.04 O ATOM 1388 CB LYS A 89 12.599 2.809 -0.297 1.00 53.23 C ATOM 1389 CG LYS A 89 12.332 2.442 1.163 1.00 4.21 C ATOM 1390 CD LYS A 89 12.096 3.667 2.052 1.00 60.52 C ATOM 1391 CE LYS A 89 13.085 4.797 1.777 1.00 32.35 C ATOM 1392 NZ LYS A 89 12.611 5.710 0.699 1.00 71.01 N ATOM 0 H LYS A 89 10.705 0.852 -0.386 1.00 42.04 H new ATOM 0 HA LYS A 89 12.716 1.954 -2.276 1.00 64.41 H new ATOM 0 HB2 LYS A 89 13.610 3.207 -0.382 1.00 53.23 H new ATOM 0 HB3 LYS A 89 11.916 3.606 -0.592 1.00 53.23 H new ATOM 0 HG2 LYS A 89 11.461 1.789 1.215 1.00 4.21 H new ATOM 0 HG3 LYS A 89 13.179 1.876 1.551 1.00 4.21 H new ATOM 0 HD2 LYS A 89 11.081 4.033 1.897 1.00 60.52 H new ATOM 0 HD3 LYS A 89 12.171 3.371 3.098 1.00 60.52 H new ATOM 0 HE2 LYS A 89 13.244 5.369 2.691 1.00 32.35 H new ATOM 0 HE3 LYS A 89 14.049 4.373 1.494 1.00 32.35 H new ATOM 0 HZ1 LYS A 89 13.429 6.098 0.187 1.00 71.01 H new ATOM 0 HZ2 LYS A 89 12.007 5.182 0.037 1.00 71.01 H new ATOM 0 HZ3 LYS A 89 12.065 6.489 1.119 1.00 71.01 H new ATOM 1406 N SER A 90 14.678 0.654 -1.182 1.00 73.20 N ATOM 1407 CA SER A 90 15.677 -0.411 -0.969 1.00 52.53 C ATOM 1408 C SER A 90 16.240 -0.416 0.461 1.00 23.43 C ATOM 1409 O SER A 90 16.337 0.628 1.112 1.00 24.12 O ATOM 1410 CB SER A 90 16.833 -0.259 -1.968 1.00 61.03 C ATOM 1411 OG SER A 90 17.866 -1.202 -1.720 1.00 63.44 O ATOM 0 H SER A 90 15.063 1.517 -1.566 1.00 73.20 H new ATOM 0 HA SER A 90 15.164 -1.360 -1.126 1.00 52.53 H new ATOM 0 HB2 SER A 90 16.457 -0.389 -2.983 1.00 61.03 H new ATOM 0 HB3 SER A 90 17.239 0.751 -1.905 1.00 61.03 H new ATOM 0 HG SER A 90 18.685 -0.918 -2.178 1.00 63.44 H new ATOM 1417 N THR A 91 16.608 -1.604 0.939 1.00 53.14 N ATOM 1418 CA THR A 91 17.268 -1.758 2.245 1.00 31.34 C ATOM 1419 C THR A 91 18.779 -1.516 2.122 1.00 30.52 C ATOM 1420 O THR A 91 19.472 -1.291 3.120 1.00 31.15 O ATOM 1421 CB THR A 91 17.051 -3.175 2.832 1.00 44.13 C ATOM 1422 OG1 THR A 91 17.667 -4.156 1.982 1.00 41.14 O ATOM 1423 CG2 THR A 91 15.566 -3.489 2.981 1.00 55.31 C ATOM 0 H THR A 91 16.461 -2.482 0.441 1.00 53.14 H new ATOM 0 HA THR A 91 16.821 -1.020 2.911 1.00 31.34 H new ATOM 0 HB THR A 91 17.509 -3.205 3.820 1.00 44.13 H new ATOM 0 HG1 THR A 91 17.668 -5.026 2.434 1.00 41.14 H new ATOM 0 HG21 THR A 91 15.446 -4.490 3.395 1.00 55.31 H new ATOM 0 HG22 THR A 91 15.106 -2.762 3.650 1.00 55.31 H new ATOM 0 HG23 THR A 91 15.084 -3.440 2.005 1.00 55.31 H new ATOM 1431 N GLN A 92 19.283 -1.566 0.889 1.00 25.13 N ATOM 1432 CA GLN A 92 20.708 -1.355 0.615 1.00 42.32 C ATOM 1433 C GLN A 92 21.056 0.145 0.562 1.00 62.34 C ATOM 1434 O GLN A 92 20.222 1.001 0.867 1.00 22.32 O ATOM 1435 CB GLN A 92 21.089 -2.038 -0.709 1.00 64.12 C ATOM 1436 CG GLN A 92 20.921 -3.555 -0.692 1.00 54.01 C ATOM 1437 CD GLN A 92 21.858 -4.254 0.286 1.00 52.01 C ATOM 1438 OE1 GLN A 92 21.513 -5.276 0.867 1.00 14.02 O ATOM 1439 NE2 GLN A 92 23.062 -3.737 0.452 1.00 63.55 N ATOM 0 H GLN A 92 18.722 -1.752 0.057 1.00 25.13 H new ATOM 0 HA GLN A 92 21.281 -1.798 1.430 1.00 42.32 H new ATOM 0 HB2 GLN A 92 20.477 -1.623 -1.510 1.00 64.12 H new ATOM 0 HB3 GLN A 92 22.126 -1.800 -0.944 1.00 64.12 H new ATOM 0 HG2 GLN A 92 19.890 -3.797 -0.433 1.00 54.01 H new ATOM 0 HG3 GLN A 92 21.097 -3.944 -1.695 1.00 54.01 H new ATOM 0 HE21 GLN A 92 23.324 -2.885 -0.044 1.00 63.55 H new ATOM 0 HE22 GLN A 92 23.730 -4.190 1.076 1.00 63.55 H new ATOM 1448 N LYS A 93 22.293 0.460 0.189 1.00 63.01 N ATOM 1449 CA LYS A 93 22.741 1.856 0.113 1.00 62.45 C ATOM 1450 C LYS A 93 22.287 2.525 -1.194 1.00 0.15 C ATOM 1451 O LYS A 93 23.080 2.725 -2.119 1.00 22.31 O ATOM 1452 CB LYS A 93 24.268 1.940 0.259 1.00 30.21 C ATOM 1453 CG LYS A 93 24.790 1.428 1.599 1.00 32.21 C ATOM 1454 CD LYS A 93 24.239 2.238 2.770 1.00 51.54 C ATOM 1455 CE LYS A 93 24.722 1.695 4.111 1.00 23.34 C ATOM 1456 NZ LYS A 93 24.297 0.288 4.331 1.00 44.33 N ATOM 0 H LYS A 93 23.004 -0.226 -0.065 1.00 63.01 H new ATOM 0 HA LYS A 93 22.279 2.397 0.939 1.00 62.45 H new ATOM 0 HB2 LYS A 93 24.732 1.367 -0.544 1.00 30.21 H new ATOM 0 HB3 LYS A 93 24.579 2.977 0.131 1.00 30.21 H new ATOM 0 HG2 LYS A 93 24.514 0.380 1.720 1.00 32.21 H new ATOM 0 HG3 LYS A 93 25.879 1.474 1.606 1.00 32.21 H new ATOM 0 HD2 LYS A 93 24.545 3.279 2.668 1.00 51.54 H new ATOM 0 HD3 LYS A 93 23.149 2.222 2.742 1.00 51.54 H new ATOM 0 HE2 LYS A 93 25.809 1.756 4.156 1.00 23.34 H new ATOM 0 HE3 LYS A 93 24.334 2.320 4.915 1.00 23.34 H new ATOM 0 HZ1 LYS A 93 24.434 0.036 5.331 1.00 44.33 H new ATOM 0 HZ2 LYS A 93 23.292 0.186 4.083 1.00 44.33 H new ATOM 0 HZ3 LYS A 93 24.867 -0.344 3.734 1.00 44.33 H new ATOM 1470 N ASP A 94 20.996 2.843 -1.263 1.00 74.34 N ATOM 1471 CA ASP A 94 20.416 3.537 -2.417 1.00 2.53 C ATOM 1472 C ASP A 94 19.804 4.886 -1.994 1.00 74.14 C ATOM 1473 O ASP A 94 18.824 4.924 -1.251 1.00 52.30 O ATOM 1474 CB ASP A 94 19.338 2.663 -3.077 1.00 41.33 C ATOM 1475 CG ASP A 94 19.892 1.360 -3.634 1.00 62.12 C ATOM 1476 OD1 ASP A 94 19.986 0.373 -2.880 1.00 62.52 O ATOM 1477 OD2 ASP A 94 20.231 1.311 -4.837 1.00 30.44 O ATOM 0 H ASP A 94 20.324 2.630 -0.526 1.00 74.34 H new ATOM 0 HA ASP A 94 21.214 3.726 -3.135 1.00 2.53 H new ATOM 0 HB2 ASP A 94 18.561 2.439 -2.346 1.00 41.33 H new ATOM 0 HB3 ASP A 94 18.865 3.225 -3.882 1.00 41.33 H new ATOM 1482 N SER A 95 20.394 5.986 -2.463 1.00 4.32 N ATOM 1483 CA SER A 95 19.887 7.339 -2.164 1.00 73.11 C ATOM 1484 C SER A 95 19.150 7.940 -3.372 1.00 63.42 C ATOM 1485 O SER A 95 18.855 9.138 -3.410 1.00 54.00 O ATOM 1486 CB SER A 95 21.042 8.262 -1.750 1.00 73.42 C ATOM 1487 OG SER A 95 22.029 8.348 -2.768 1.00 63.45 O ATOM 0 H SER A 95 21.226 5.973 -3.053 1.00 4.32 H new ATOM 0 HA SER A 95 19.180 7.253 -1.339 1.00 73.11 H new ATOM 0 HB2 SER A 95 20.654 9.257 -1.533 1.00 73.42 H new ATOM 0 HB3 SER A 95 21.496 7.889 -0.832 1.00 73.42 H new ATOM 0 HG SER A 95 22.750 8.944 -2.475 1.00 63.45 H new ATOM 1493 N LYS A 96 18.853 7.099 -4.358 1.00 5.01 N ATOM 1494 CA LYS A 96 18.128 7.525 -5.562 1.00 74.44 C ATOM 1495 C LYS A 96 16.604 7.379 -5.387 1.00 51.24 C ATOM 1496 O LYS A 96 15.884 7.054 -6.335 1.00 40.43 O ATOM 1497 CB LYS A 96 18.617 6.709 -6.770 1.00 3.43 C ATOM 1498 CG LYS A 96 18.439 5.197 -6.629 1.00 34.31 C ATOM 1499 CD LYS A 96 19.068 4.446 -7.804 1.00 1.10 C ATOM 1500 CE LYS A 96 18.920 2.935 -7.660 1.00 31.11 C ATOM 1501 NZ LYS A 96 17.504 2.496 -7.778 1.00 53.24 N ATOM 0 H LYS A 96 19.103 6.110 -4.351 1.00 5.01 H new ATOM 0 HA LYS A 96 18.333 8.582 -5.733 1.00 74.44 H new ATOM 0 HB2 LYS A 96 18.082 7.044 -7.659 1.00 3.43 H new ATOM 0 HB3 LYS A 96 19.673 6.924 -6.934 1.00 3.43 H new ATOM 0 HG2 LYS A 96 18.893 4.862 -5.697 1.00 34.31 H new ATOM 0 HG3 LYS A 96 17.377 4.959 -6.570 1.00 34.31 H new ATOM 0 HD2 LYS A 96 18.600 4.769 -8.734 1.00 1.10 H new ATOM 0 HD3 LYS A 96 20.125 4.702 -7.874 1.00 1.10 H new ATOM 0 HE2 LYS A 96 19.518 2.439 -8.425 1.00 31.11 H new ATOM 0 HE3 LYS A 96 19.316 2.623 -6.694 1.00 31.11 H new ATOM 0 HZ1 LYS A 96 17.460 1.457 -7.759 1.00 53.24 H new ATOM 0 HZ2 LYS A 96 16.954 2.881 -6.984 1.00 53.24 H new ATOM 0 HZ3 LYS A 96 17.107 2.843 -8.674 1.00 53.24 H new ATOM 1515 N ASP A 97 16.124 7.640 -4.173 1.00 23.11 N ATOM 1516 CA ASP A 97 14.692 7.583 -3.854 1.00 64.33 C ATOM 1517 C ASP A 97 13.861 8.510 -4.764 1.00 3.21 C ATOM 1518 O ASP A 97 14.346 9.548 -5.219 1.00 1.15 O ATOM 1519 CB ASP A 97 14.481 7.969 -2.389 1.00 71.44 C ATOM 1520 CG ASP A 97 15.276 7.082 -1.450 1.00 72.42 C ATOM 1521 OD1 ASP A 97 16.502 7.274 -1.349 1.00 71.05 O ATOM 1522 OD2 ASP A 97 14.679 6.180 -0.822 1.00 33.24 O ATOM 0 H ASP A 97 16.713 7.897 -3.381 1.00 23.11 H new ATOM 0 HA ASP A 97 14.351 6.562 -4.026 1.00 64.33 H new ATOM 0 HB2 ASP A 97 14.774 9.008 -2.242 1.00 71.44 H new ATOM 0 HB3 ASP A 97 13.421 7.899 -2.144 1.00 71.44 H new ATOM 1527 N PRO A 98 12.592 8.151 -5.038 1.00 63.11 N ATOM 1528 CA PRO A 98 11.725 8.939 -5.934 1.00 14.23 C ATOM 1529 C PRO A 98 11.234 10.263 -5.313 1.00 4.23 C ATOM 1530 O PRO A 98 10.999 11.239 -6.029 1.00 4.03 O ATOM 1531 CB PRO A 98 10.546 7.991 -6.192 1.00 60.24 C ATOM 1532 CG PRO A 98 10.478 7.135 -4.971 1.00 54.41 C ATOM 1533 CD PRO A 98 11.900 6.954 -4.508 1.00 40.11 C ATOM 0 HA PRO A 98 12.257 9.252 -6.832 1.00 14.23 H new ATOM 0 HB2 PRO A 98 9.618 8.543 -6.341 1.00 60.24 H new ATOM 0 HB3 PRO A 98 10.708 7.392 -7.088 1.00 60.24 H new ATOM 0 HG2 PRO A 98 9.873 7.608 -4.197 1.00 54.41 H new ATOM 0 HG3 PRO A 98 10.015 6.174 -5.194 1.00 54.41 H new ATOM 0 HD2 PRO A 98 11.964 6.902 -3.421 1.00 40.11 H new ATOM 0 HD3 PRO A 98 12.335 6.034 -4.898 1.00 40.11 H new ATOM 1541 N ASP A 99 11.082 10.296 -3.990 1.00 2.54 N ATOM 1542 CA ASP A 99 10.539 11.474 -3.299 1.00 1.14 C ATOM 1543 C ASP A 99 11.491 11.995 -2.202 1.00 10.12 C ATOM 1544 O ASP A 99 12.552 11.423 -1.961 1.00 42.11 O ATOM 1545 CB ASP A 99 9.165 11.132 -2.716 1.00 52.53 C ATOM 1546 CG ASP A 99 8.153 10.832 -3.810 1.00 72.12 C ATOM 1547 OD1 ASP A 99 8.029 9.657 -4.216 1.00 63.40 O ATOM 1548 OD2 ASP A 99 7.498 11.782 -4.293 1.00 21.40 O ATOM 0 H ASP A 99 11.326 9.523 -3.371 1.00 2.54 H new ATOM 0 HA ASP A 99 10.435 12.279 -4.027 1.00 1.14 H new ATOM 0 HB2 ASP A 99 9.254 10.270 -2.055 1.00 52.53 H new ATOM 0 HB3 ASP A 99 8.809 11.964 -2.108 1.00 52.53 H new ATOM 1553 N THR A 100 11.092 13.084 -1.538 1.00 63.31 N ATOM 1554 CA THR A 100 11.968 13.781 -0.576 1.00 4.41 C ATOM 1555 C THR A 100 11.974 13.132 0.818 1.00 70.14 C ATOM 1556 O THR A 100 10.973 13.168 1.537 1.00 64.43 O ATOM 1557 CB THR A 100 11.557 15.267 -0.410 1.00 73.25 C ATOM 1558 OG1 THR A 100 10.201 15.361 0.057 1.00 42.11 O ATOM 1559 CG2 THR A 100 11.692 16.025 -1.726 1.00 50.14 C ATOM 0 H THR A 100 10.170 13.506 -1.645 1.00 63.31 H new ATOM 0 HA THR A 100 12.969 13.706 -1.000 1.00 4.41 H new ATOM 0 HB THR A 100 12.227 15.716 0.323 1.00 73.25 H new ATOM 0 HG1 THR A 100 10.056 14.710 0.775 1.00 42.11 H new ATOM 0 HG21 THR A 100 11.397 17.064 -1.579 1.00 50.14 H new ATOM 0 HG22 THR A 100 12.728 15.986 -2.064 1.00 50.14 H new ATOM 0 HG23 THR A 100 11.048 15.568 -2.477 1.00 50.14 H new ATOM 1567 N ASP A 101 13.114 12.555 1.197 1.00 2.14 N ATOM 1568 CA ASP A 101 13.320 12.035 2.556 1.00 1.44 C ATOM 1569 C ASP A 101 14.824 11.856 2.844 1.00 13.24 C ATOM 1570 O ASP A 101 15.538 11.210 2.073 1.00 60.30 O ATOM 1571 CB ASP A 101 12.573 10.706 2.747 1.00 54.52 C ATOM 1572 CG ASP A 101 12.514 10.281 4.206 1.00 42.54 C ATOM 1573 OD1 ASP A 101 11.621 10.765 4.934 1.00 32.40 O ATOM 1574 OD2 ASP A 101 13.358 9.464 4.635 1.00 73.02 O ATOM 0 H ASP A 101 13.917 12.434 0.580 1.00 2.14 H new ATOM 0 HA ASP A 101 12.917 12.759 3.264 1.00 1.44 H new ATOM 0 HB2 ASP A 101 11.559 10.802 2.358 1.00 54.52 H new ATOM 0 HB3 ASP A 101 13.066 9.928 2.164 1.00 54.52 H new ATOM 1579 N LEU A 102 15.309 12.444 3.938 1.00 51.34 N ATOM 1580 CA LEU A 102 16.740 12.399 4.267 1.00 31.51 C ATOM 1581 C LEU A 102 17.018 11.541 5.514 1.00 62.34 C ATOM 1582 O LEU A 102 16.581 11.863 6.620 1.00 3.34 O ATOM 1583 CB LEU A 102 17.275 13.824 4.477 1.00 10.53 C ATOM 1584 CG LEU A 102 18.788 13.928 4.757 1.00 50.53 C ATOM 1585 CD1 LEU A 102 19.601 13.364 3.593 1.00 25.15 C ATOM 1586 CD2 LEU A 102 19.187 15.374 5.043 1.00 4.35 C ATOM 0 H LEU A 102 14.738 12.956 4.611 1.00 51.34 H new ATOM 0 HA LEU A 102 17.257 11.934 3.428 1.00 31.51 H new ATOM 0 HB2 LEU A 102 17.045 14.414 3.590 1.00 10.53 H new ATOM 0 HB3 LEU A 102 16.737 14.277 5.310 1.00 10.53 H new ATOM 0 HG LEU A 102 19.008 13.331 5.642 1.00 50.53 H new ATOM 0 HD11 LEU A 102 20.664 13.450 3.817 1.00 25.15 H new ATOM 0 HD12 LEU A 102 19.345 12.315 3.445 1.00 25.15 H new ATOM 0 HD13 LEU A 102 19.375 13.924 2.686 1.00 25.15 H new ATOM 0 HD21 LEU A 102 20.258 15.424 5.238 1.00 4.35 H new ATOM 0 HD22 LEU A 102 18.945 15.995 4.181 1.00 4.35 H new ATOM 0 HD23 LEU A 102 18.642 15.736 5.915 1.00 4.35 H new ATOM 1598 N ILE A 103 17.761 10.454 5.317 1.00 32.02 N ATOM 1599 CA ILE A 103 18.130 9.541 6.407 1.00 43.05 C ATOM 1600 C ILE A 103 19.007 10.239 7.467 1.00 54.02 C ATOM 1601 O ILE A 103 19.989 10.905 7.130 1.00 15.12 O ATOM 1602 CB ILE A 103 18.891 8.308 5.850 1.00 14.02 C ATOM 1603 CG1 ILE A 103 18.010 7.546 4.844 1.00 70.00 C ATOM 1604 CG2 ILE A 103 19.345 7.384 6.982 1.00 73.44 C ATOM 1605 CD1 ILE A 103 18.701 6.363 4.199 1.00 64.23 C ATOM 0 H ILE A 103 18.124 10.179 4.405 1.00 32.02 H new ATOM 0 HA ILE A 103 17.203 9.220 6.882 1.00 43.05 H new ATOM 0 HB ILE A 103 19.782 8.662 5.332 1.00 14.02 H new ATOM 0 HG12 ILE A 103 17.112 7.197 5.354 1.00 70.00 H new ATOM 0 HG13 ILE A 103 17.686 8.235 4.064 1.00 70.00 H new ATOM 0 HG21 ILE A 103 19.875 6.529 6.563 1.00 73.44 H new ATOM 0 HG22 ILE A 103 20.009 7.929 7.653 1.00 73.44 H new ATOM 0 HG23 ILE A 103 18.475 7.035 7.538 1.00 73.44 H new ATOM 0 HD11 ILE A 103 18.017 5.877 3.503 1.00 64.23 H new ATOM 0 HD12 ILE A 103 19.584 6.707 3.660 1.00 64.23 H new ATOM 0 HD13 ILE A 103 19.000 5.652 4.969 1.00 64.23 H new ATOM 1617 N VAL A 104 18.651 10.087 8.744 1.00 62.02 N ATOM 1618 CA VAL A 104 19.441 10.670 9.840 1.00 41.20 C ATOM 1619 C VAL A 104 20.579 9.726 10.275 1.00 44.43 C ATOM 1620 O VAL A 104 20.346 8.565 10.619 1.00 63.44 O ATOM 1621 CB VAL A 104 18.560 11.033 11.070 1.00 54.54 C ATOM 1622 CG1 VAL A 104 17.525 12.093 10.701 1.00 72.24 C ATOM 1623 CG2 VAL A 104 17.878 9.798 11.657 1.00 61.40 C ATOM 0 H VAL A 104 17.826 9.569 9.048 1.00 62.02 H new ATOM 0 HA VAL A 104 19.874 11.591 9.450 1.00 41.20 H new ATOM 0 HB VAL A 104 19.219 11.443 11.835 1.00 54.54 H new ATOM 0 HG11 VAL A 104 16.920 12.331 11.576 1.00 72.24 H new ATOM 0 HG12 VAL A 104 18.033 12.993 10.355 1.00 72.24 H new ATOM 0 HG13 VAL A 104 16.881 11.712 9.908 1.00 72.24 H new ATOM 0 HG21 VAL A 104 17.271 10.090 12.514 1.00 61.40 H new ATOM 0 HG22 VAL A 104 17.241 9.340 10.901 1.00 61.40 H new ATOM 0 HG23 VAL A 104 18.635 9.081 11.976 1.00 61.40 H new ATOM 1633 N PRO A 105 21.834 10.212 10.275 1.00 31.34 N ATOM 1634 CA PRO A 105 23.004 9.398 10.631 1.00 54.12 C ATOM 1635 C PRO A 105 23.303 9.385 12.144 1.00 44.25 C ATOM 1636 O PRO A 105 24.467 9.397 12.558 1.00 34.10 O ATOM 1637 CB PRO A 105 24.117 10.106 9.856 1.00 3.54 C ATOM 1638 CG PRO A 105 23.733 11.550 9.887 1.00 14.52 C ATOM 1639 CD PRO A 105 22.222 11.592 9.907 1.00 21.54 C ATOM 0 HA PRO A 105 22.873 8.343 10.388 1.00 54.12 H new ATOM 0 HB2 PRO A 105 25.090 9.944 10.321 1.00 3.54 H new ATOM 0 HB3 PRO A 105 24.186 9.735 8.833 1.00 3.54 H new ATOM 0 HG2 PRO A 105 24.146 12.043 10.767 1.00 14.52 H new ATOM 0 HG3 PRO A 105 24.124 12.074 9.015 1.00 14.52 H new ATOM 0 HD2 PRO A 105 21.852 12.318 10.631 1.00 21.54 H new ATOM 0 HD3 PRO A 105 21.817 11.876 8.936 1.00 21.54 H new ATOM 1647 N ASN A 106 22.254 9.331 12.968 1.00 44.54 N ATOM 1648 CA ASN A 106 22.414 9.355 14.427 1.00 74.32 C ATOM 1649 C ASN A 106 23.000 8.036 14.971 1.00 23.11 C ATOM 1650 O ASN A 106 22.265 7.132 15.381 1.00 55.24 O ATOM 1651 CB ASN A 106 21.074 9.660 15.108 1.00 3.23 C ATOM 1652 CG ASN A 106 20.579 11.066 14.808 1.00 32.31 C ATOM 1653 OD1 ASN A 106 21.368 11.987 14.621 1.00 23.33 O ATOM 1654 ND2 ASN A 106 19.273 11.247 14.767 1.00 25.13 N ATOM 0 H ASN A 106 21.286 9.270 12.652 1.00 44.54 H new ATOM 0 HA ASN A 106 23.125 10.148 14.660 1.00 74.32 H new ATOM 0 HB2 ASN A 106 20.328 8.937 14.777 1.00 3.23 H new ATOM 0 HB3 ASN A 106 21.181 9.537 16.186 1.00 3.23 H new ATOM 0 HD21 ASN A 106 18.892 12.174 14.575 1.00 25.13 H new ATOM 0 HD22 ASN A 106 18.644 10.460 14.927 1.00 25.13 H new ATOM 1661 N LEU A 107 24.328 7.929 14.955 1.00 44.15 N ATOM 1662 CA LEU A 107 25.023 6.759 15.518 1.00 45.31 C ATOM 1663 C LEU A 107 25.147 6.865 17.051 1.00 24.53 C ATOM 1664 O LEU A 107 25.475 5.887 17.730 1.00 3.44 O ATOM 1665 CB LEU A 107 26.422 6.592 14.887 1.00 31.30 C ATOM 1666 CG LEU A 107 27.517 7.577 15.360 1.00 4.03 C ATOM 1667 CD1 LEU A 107 28.880 7.158 14.808 1.00 71.14 C ATOM 1668 CD2 LEU A 107 27.188 9.015 14.951 1.00 41.31 C ATOM 0 H LEU A 107 24.949 8.635 14.560 1.00 44.15 H new ATOM 0 HA LEU A 107 24.424 5.880 15.281 1.00 45.31 H new ATOM 0 HB2 LEU A 107 26.767 5.578 15.087 1.00 31.30 H new ATOM 0 HB3 LEU A 107 26.322 6.688 13.806 1.00 31.30 H new ATOM 0 HG LEU A 107 27.554 7.544 16.449 1.00 4.03 H new ATOM 0 HD11 LEU A 107 29.642 7.860 15.148 1.00 71.14 H new ATOM 0 HD12 LEU A 107 29.124 6.157 15.163 1.00 71.14 H new ATOM 0 HD13 LEU A 107 28.847 7.159 13.718 1.00 71.14 H new ATOM 0 HD21 LEU A 107 27.977 9.682 15.299 1.00 41.31 H new ATOM 0 HD22 LEU A 107 27.113 9.076 13.865 1.00 41.31 H new ATOM 0 HD23 LEU A 107 26.239 9.312 15.398 1.00 41.31 H new ATOM 1680 N GLU A 108 24.886 8.062 17.577 1.00 60.14 N ATOM 1681 CA GLU A 108 24.950 8.323 19.021 1.00 24.34 C ATOM 1682 C GLU A 108 23.797 7.635 19.766 1.00 74.11 C ATOM 1683 O GLU A 108 22.773 7.294 19.173 1.00 41.13 O ATOM 1684 CB GLU A 108 24.892 9.834 19.280 1.00 2.22 C ATOM 1685 CG GLU A 108 25.970 10.630 18.553 1.00 71.10 C ATOM 1686 CD GLU A 108 25.829 12.128 18.772 1.00 5.24 C ATOM 1687 OE1 GLU A 108 25.067 12.774 18.023 1.00 12.44 O ATOM 1688 OE2 GLU A 108 26.465 12.664 19.706 1.00 23.23 O ATOM 0 H GLU A 108 24.625 8.876 17.020 1.00 60.14 H new ATOM 0 HA GLU A 108 25.891 7.917 19.393 1.00 24.34 H new ATOM 0 HB2 GLU A 108 23.913 10.207 18.977 1.00 2.22 H new ATOM 0 HB3 GLU A 108 24.984 10.012 20.351 1.00 2.22 H new ATOM 0 HG2 GLU A 108 26.952 10.306 18.897 1.00 71.10 H new ATOM 0 HG3 GLU A 108 25.919 10.415 17.486 1.00 71.10 H new ATOM 1695 N HIS A 109 23.961 7.448 21.071 1.00 63.13 N ATOM 1696 CA HIS A 109 22.933 6.801 21.894 1.00 33.33 C ATOM 1697 C HIS A 109 22.022 7.836 22.578 1.00 3.14 C ATOM 1698 O HIS A 109 22.497 8.822 23.149 1.00 4.15 O ATOM 1699 CB HIS A 109 23.596 5.905 22.947 1.00 4.20 C ATOM 1700 CG HIS A 109 24.526 4.883 22.362 1.00 15.34 C ATOM 1701 ND1 HIS A 109 25.858 4.789 22.708 1.00 64.13 N ATOM 1702 CD2 HIS A 109 24.310 3.903 21.451 1.00 55.03 C ATOM 1703 CE1 HIS A 109 26.417 3.803 22.039 1.00 13.20 C ATOM 1704 NE2 HIS A 109 25.504 3.251 21.269 1.00 30.22 N ATOM 0 H HIS A 109 24.794 7.733 21.586 1.00 63.13 H new ATOM 0 HA HIS A 109 22.311 6.192 21.238 1.00 33.33 H new ATOM 0 HB2 HIS A 109 24.150 6.530 23.648 1.00 4.20 H new ATOM 0 HB3 HIS A 109 22.821 5.395 23.519 1.00 4.20 H new ATOM 0 HD2 HIS A 109 23.375 3.678 20.961 1.00 55.03 H new ATOM 0 HE1 HIS A 109 27.451 3.498 22.110 1.00 13.20 H new ATOM 0 HE2 HIS A 109 25.659 2.465 20.638 1.00 30.22 H new ATOM 1713 N HIS A 110 20.711 7.607 22.515 1.00 43.13 N ATOM 1714 CA HIS A 110 19.733 8.479 23.176 1.00 33.14 C ATOM 1715 C HIS A 110 19.365 7.924 24.561 1.00 73.42 C ATOM 1716 O HIS A 110 18.701 6.895 24.667 1.00 52.32 O ATOM 1717 CB HIS A 110 18.477 8.627 22.303 1.00 2.54 C ATOM 1718 CG HIS A 110 18.752 9.266 20.976 1.00 10.23 C ATOM 1719 ND1 HIS A 110 18.912 8.552 19.807 1.00 42.54 N ATOM 1720 CD2 HIS A 110 18.897 10.568 20.637 1.00 51.03 C ATOM 1721 CE1 HIS A 110 19.148 9.387 18.814 1.00 55.44 C ATOM 1722 NE2 HIS A 110 19.144 10.615 19.289 1.00 64.33 N ATOM 0 H HIS A 110 20.297 6.822 22.011 1.00 43.13 H new ATOM 0 HA HIS A 110 20.181 9.464 23.310 1.00 33.14 H new ATOM 0 HB2 HIS A 110 18.037 7.643 22.141 1.00 2.54 H new ATOM 0 HB3 HIS A 110 17.738 9.222 22.839 1.00 2.54 H new ATOM 0 HD2 HIS A 110 18.830 11.414 21.305 1.00 51.03 H new ATOM 0 HE1 HIS A 110 19.316 9.110 17.784 1.00 55.44 H new ATOM 0 HE2 HIS A 110 19.299 11.463 18.743 1.00 64.33 H new ATOM 1731 N HIS A 111 19.803 8.617 25.611 1.00 2.42 N ATOM 1732 CA HIS A 111 19.642 8.141 26.994 1.00 55.53 C ATOM 1733 C HIS A 111 18.179 7.783 27.322 1.00 70.52 C ATOM 1734 O HIS A 111 17.906 6.728 27.891 1.00 62.34 O ATOM 1735 CB HIS A 111 20.158 9.204 27.975 1.00 3.55 C ATOM 1736 CG HIS A 111 20.340 8.712 29.385 1.00 21.21 C ATOM 1737 ND1 HIS A 111 21.561 8.706 30.023 1.00 22.44 N ATOM 1738 CD2 HIS A 111 19.453 8.219 30.284 1.00 55.13 C ATOM 1739 CE1 HIS A 111 21.419 8.232 31.242 1.00 31.35 C ATOM 1740 NE2 HIS A 111 20.153 7.931 31.429 1.00 34.44 N ATOM 0 H HIS A 111 20.276 9.517 25.534 1.00 2.42 H new ATOM 0 HA HIS A 111 20.229 7.228 27.097 1.00 55.53 H new ATOM 0 HB2 HIS A 111 21.112 9.585 27.610 1.00 3.55 H new ATOM 0 HB3 HIS A 111 19.462 10.042 27.983 1.00 3.55 H new ATOM 0 HD2 HIS A 111 18.393 8.079 30.128 1.00 55.13 H new ATOM 0 HE1 HIS A 111 22.210 8.111 31.967 1.00 31.35 H new ATOM 0 HE2 HIS A 111 19.755 7.546 32.286 1.00 34.44 H new ATOM 1749 N HIS A 112 17.246 8.668 26.976 1.00 10.41 N ATOM 1750 CA HIS A 112 15.825 8.444 27.279 1.00 12.32 C ATOM 1751 C HIS A 112 15.167 7.486 26.266 1.00 3.53 C ATOM 1752 O HIS A 112 15.306 7.655 25.053 1.00 40.53 O ATOM 1753 CB HIS A 112 15.057 9.778 27.307 1.00 70.51 C ATOM 1754 CG HIS A 112 14.833 10.396 25.956 1.00 54.14 C ATOM 1755 ND1 HIS A 112 13.607 10.394 25.324 1.00 73.34 N ATOM 1756 CD2 HIS A 112 15.680 11.040 25.114 1.00 55.34 C ATOM 1757 CE1 HIS A 112 13.706 11.004 24.160 1.00 35.31 C ATOM 1758 NE2 HIS A 112 14.951 11.406 24.008 1.00 22.03 N ATOM 0 H HIS A 112 17.442 9.543 26.489 1.00 10.41 H new ATOM 0 HA HIS A 112 15.777 7.980 28.264 1.00 12.32 H new ATOM 0 HB2 HIS A 112 14.090 9.616 27.783 1.00 70.51 H new ATOM 0 HB3 HIS A 112 15.605 10.485 27.930 1.00 70.51 H new ATOM 0 HD2 HIS A 112 16.730 11.229 25.282 1.00 55.34 H new ATOM 0 HE1 HIS A 112 12.904 11.149 23.452 1.00 35.31 H new ATOM 0 HE2 HIS A 112 15.316 11.909 23.199 1.00 22.03 H new ATOM 1767 N HIS A 113 14.457 6.482 26.776 1.00 12.20 N ATOM 1768 CA HIS A 113 13.678 5.569 25.930 1.00 74.11 C ATOM 1769 C HIS A 113 12.286 6.151 25.641 1.00 64.14 C ATOM 1770 O HIS A 113 11.766 6.948 26.422 1.00 24.35 O ATOM 1771 CB HIS A 113 13.540 4.195 26.605 1.00 3.43 C ATOM 1772 CG HIS A 113 12.802 4.226 27.914 1.00 52.14 C ATOM 1773 ND1 HIS A 113 13.438 4.321 29.133 1.00 20.04 N ATOM 1774 CD2 HIS A 113 11.477 4.162 28.193 1.00 3.51 C ATOM 1775 CE1 HIS A 113 12.542 4.312 30.099 1.00 64.52 C ATOM 1776 NE2 HIS A 113 11.346 4.219 29.557 1.00 21.53 N ATOM 0 H HIS A 113 14.403 6.276 27.774 1.00 12.20 H new ATOM 0 HA HIS A 113 14.209 5.447 24.986 1.00 74.11 H new ATOM 0 HB2 HIS A 113 13.023 3.518 25.925 1.00 3.43 H new ATOM 0 HB3 HIS A 113 14.535 3.782 26.771 1.00 3.43 H new ATOM 0 HD2 HIS A 113 10.674 4.081 27.475 1.00 3.51 H new ATOM 0 HE1 HIS A 113 12.753 4.371 31.157 1.00 64.52 H new ATOM 0 HE2 HIS A 113 10.464 4.193 30.069 1.00 21.53 H new ATOM 1785 N HIS A 114 11.682 5.746 24.527 1.00 53.24 N ATOM 1786 CA HIS A 114 10.335 6.210 24.170 1.00 31.24 C ATOM 1787 C HIS A 114 9.245 5.313 24.800 1.00 35.14 C ATOM 1788 O HIS A 114 8.760 5.648 25.901 1.00 38.53 O ATOM 1789 CB HIS A 114 10.185 6.263 22.640 1.00 63.11 C ATOM 1790 CG HIS A 114 8.871 6.819 22.179 1.00 41.23 C ATOM 1791 ND1 HIS A 114 8.014 6.136 21.343 1.00 23.31 N ATOM 1792 CD2 HIS A 114 8.270 8.011 22.428 1.00 25.51 C ATOM 1793 CE1 HIS A 114 6.952 6.872 21.098 1.00 10.30 C ATOM 1794 NE2 HIS A 114 7.080 8.012 21.743 1.00 10.12 N ATOM 1795 OXT HIS A 114 8.884 4.277 24.200 1.00 38.53 O ATOM 0 H HIS A 114 12.098 5.100 23.856 1.00 53.24 H new ATOM 0 HA HIS A 114 10.202 7.215 24.571 1.00 31.24 H new ATOM 0 HB2 HIS A 114 10.991 6.870 22.226 1.00 63.11 H new ATOM 0 HB3 HIS A 114 10.304 5.257 22.238 1.00 63.11 H new ATOM 0 HD2 HIS A 114 8.655 8.807 23.048 1.00 25.51 H new ATOM 0 HE1 HIS A 114 6.117 6.589 20.474 1.00 10.30 H new ATOM 0 HE2 HIS A 114 6.403 8.775 21.735 1.00 10.12 H new TER 1804 HIS A 114