USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 767 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 84 GLN : amide:sc= -1.99! C(o=-0.86!,f=-12!) USER MOD Set 1.2: A 87 CYS SG : rot 35:sc= 1.14 USER MOD Set 2.1: A 69 LYS NZ :NH3+ 132:sc= -0.949! (180deg=-2.76!) USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0.335 USER MOD Set 3.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.129 K(o=-0.13,f=0.71) USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= -1.66! USER MOD Set 4.2: A 19 SER OG : rot -122:sc= -1.24 USER MOD Set 5.1: A 3 LYS NZ :NH3+ 169:sc= 0.66 (180deg=0.255) USER MOD Set 5.2: A 85 ASN : amide:sc= -7.99! C(o=-7.3!,f=-13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.145 (180deg=-0.0111) USER MOD Single : A 4 THR OG1 : rot -21:sc= 0.41 USER MOD Single : A 7 MET CE :methyl -156:sc= -0.187 (180deg=-0.813) USER MOD Single : A 9 GLN : amide:sc= -1.46! C(o=-1.5!,f=-6!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 9:sc= -1.35! USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0758 USER MOD Single : A 24 HIS : no HE2:sc= 0.109 K(o=0.36,f=-8.4!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 70:sc= 0.145 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -1.7! K(o=-1.7!,f=-1) USER MOD Single : A 39 ASN : amide:sc= -2.93! C(o=-2.9!,f=-6.6!) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00949 USER MOD Single : A 45 GLN : amide:sc=-0.000479 K(o=-0.00048,f=-0.99) USER MOD Single : A 49 GLN : amide:sc= -1.9! K(o=-1.9!,f=-0.28) USER MOD Single : A 55 THR OG1 : rot -73:sc= -0.644 USER MOD Single : A 62 GLN : amide:sc= -2.01 K(o=-2,f=-5.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -150:sc= 2.07 (180deg=1.26) USER MOD Single : A 70 SER OG : rot 34:sc= 0.0227 USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= 0.729 (180deg=-0.909!) USER MOD Single : A 74 MET CE :methyl -157:sc= -0.23 (180deg=-1.01) USER MOD Single : A 79 SER OG : rot -82:sc= 1.19 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -163:sc= -0.484 (180deg=-0.593) USER MOD Single : A 95 LYS NZ :NH3+ -153:sc= 0.615 (180deg=0.126) USER MOD Single : A 96 SER OG : rot 147:sc= 0.195 USER MOD Single : A 97 ASN : amide:sc= -0.33 K(o=-0.33,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.228 11.050 -12.742 1.00 4.19 N ATOM 2 CA MET A 1 7.766 10.792 -12.737 1.00 3.57 C ATOM 3 C MET A 1 7.147 11.344 -11.461 1.00 2.58 C ATOM 4 O MET A 1 7.790 12.109 -10.744 1.00 2.86 O ATOM 5 CB MET A 1 7.479 9.288 -12.836 1.00 4.32 C ATOM 6 CG MET A 1 7.959 8.649 -14.127 1.00 5.05 C ATOM 7 SD MET A 1 7.432 6.934 -14.293 1.00 6.03 S ATOM 8 CE MET A 1 8.141 6.528 -15.888 1.00 6.63 C ATOM 0 H1 MET A 1 9.512 11.423 -13.670 1.00 4.19 H new ATOM 0 H2 MET A 1 9.460 11.745 -12.004 1.00 4.19 H new ATOM 0 H3 MET A 1 9.738 10.163 -12.555 1.00 4.19 H new ATOM 0 HA MET A 1 7.327 11.290 -13.602 1.00 3.57 H new ATOM 0 HB2 MET A 1 7.953 8.782 -11.995 1.00 4.32 H new ATOM 0 HB3 MET A 1 6.405 9.127 -12.741 1.00 4.32 H new ATOM 0 HG2 MET A 1 7.583 9.224 -14.974 1.00 5.05 H new ATOM 0 HG3 MET A 1 9.047 8.696 -14.168 1.00 5.05 H new ATOM 0 HE1 MET A 1 7.904 5.494 -16.139 1.00 6.63 H new ATOM 0 HE2 MET A 1 7.728 7.190 -16.649 1.00 6.63 H new ATOM 0 HE3 MET A 1 9.223 6.653 -15.848 1.00 6.63 H new ATOM 20 N ALA A 2 5.903 10.971 -11.184 1.00 2.10 N ATOM 21 CA ALA A 2 5.254 11.380 -9.949 1.00 1.89 C ATOM 22 C ALA A 2 5.887 10.671 -8.764 1.00 1.69 C ATOM 23 O ALA A 2 6.395 11.311 -7.843 1.00 2.38 O ATOM 24 CB ALA A 2 3.762 11.092 -10.006 1.00 2.89 C ATOM 0 H ALA A 2 5.329 10.390 -11.795 1.00 2.10 H new ATOM 0 HA ALA A 2 5.389 12.455 -9.826 1.00 1.89 H new ATOM 0 HB1 ALA A 2 3.295 11.405 -9.072 1.00 2.89 H new ATOM 0 HB2 ALA A 2 3.317 11.640 -10.836 1.00 2.89 H new ATOM 0 HB3 ALA A 2 3.603 10.023 -10.150 1.00 2.89 H new ATOM 30 N LYS A 3 5.873 9.347 -8.802 1.00 1.22 N ATOM 31 CA LYS A 3 6.475 8.553 -7.743 1.00 0.97 C ATOM 32 C LYS A 3 7.281 7.406 -8.322 1.00 1.06 C ATOM 33 O LYS A 3 6.738 6.537 -9.011 1.00 1.96 O ATOM 34 CB LYS A 3 5.409 7.998 -6.810 1.00 0.75 C ATOM 35 CG LYS A 3 5.969 7.065 -5.753 1.00 0.46 C ATOM 36 CD LYS A 3 4.857 6.450 -4.929 1.00 0.42 C ATOM 37 CE LYS A 3 4.997 6.787 -3.460 1.00 0.29 C ATOM 38 NZ LYS A 3 5.145 8.249 -3.228 1.00 0.44 N ATOM 0 H LYS A 3 5.452 8.801 -9.554 1.00 1.22 H new ATOM 0 HA LYS A 3 7.139 9.207 -7.178 1.00 0.97 H new ATOM 0 HB2 LYS A 3 4.897 8.826 -6.320 1.00 0.75 H new ATOM 0 HB3 LYS A 3 4.662 7.464 -7.398 1.00 0.75 H new ATOM 0 HG2 LYS A 3 6.552 6.277 -6.230 1.00 0.46 H new ATOM 0 HG3 LYS A 3 6.649 7.614 -5.101 1.00 0.46 H new ATOM 0 HD2 LYS A 3 3.894 6.806 -5.294 1.00 0.42 H new ATOM 0 HD3 LYS A 3 4.865 5.368 -5.057 1.00 0.42 H new ATOM 0 HE2 LYS A 3 4.123 6.422 -2.921 1.00 0.29 H new ATOM 0 HE3 LYS A 3 5.863 6.267 -3.051 1.00 0.29 H new ATOM 0 HZ1 LYS A 3 5.051 8.451 -2.212 1.00 0.44 H new ATOM 0 HZ2 LYS A 3 6.081 8.560 -3.557 1.00 0.44 H new ATOM 0 HZ3 LYS A 3 4.407 8.760 -3.752 1.00 0.44 H new ATOM 52 N THR A 4 8.562 7.400 -8.016 1.00 0.55 N ATOM 53 CA THR A 4 9.491 6.390 -8.517 1.00 0.59 C ATOM 54 C THR A 4 10.816 6.504 -7.771 1.00 0.59 C ATOM 55 O THR A 4 11.180 5.631 -6.978 1.00 0.84 O ATOM 56 CB THR A 4 9.769 6.532 -10.039 1.00 0.79 C ATOM 57 OG1 THR A 4 8.548 6.595 -10.790 1.00 1.37 O ATOM 58 CG2 THR A 4 10.595 5.360 -10.542 1.00 1.30 C ATOM 0 H THR A 4 8.997 8.096 -7.410 1.00 0.55 H new ATOM 0 HA THR A 4 9.025 5.419 -8.350 1.00 0.59 H new ATOM 0 HB THR A 4 10.321 7.461 -10.181 1.00 0.79 H new ATOM 0 HG1 THR A 4 7.820 6.204 -10.264 1.00 1.37 H new ATOM 0 HG21 THR A 4 10.780 5.477 -11.610 1.00 1.30 H new ATOM 0 HG22 THR A 4 11.546 5.330 -10.010 1.00 1.30 H new ATOM 0 HG23 THR A 4 10.053 4.431 -10.367 1.00 1.30 H new ATOM 66 N GLU A 5 11.515 7.606 -8.016 1.00 0.65 N ATOM 67 CA GLU A 5 12.804 7.857 -7.393 1.00 0.77 C ATOM 68 C GLU A 5 12.599 8.437 -5.997 1.00 0.71 C ATOM 69 O GLU A 5 12.602 9.655 -5.804 1.00 1.25 O ATOM 70 CB GLU A 5 13.635 8.806 -8.265 1.00 1.05 C ATOM 71 CG GLU A 5 15.070 8.980 -7.794 1.00 1.70 C ATOM 72 CD GLU A 5 15.797 7.661 -7.647 1.00 2.55 C ATOM 73 OE1 GLU A 5 16.183 7.073 -8.680 1.00 2.70 O ATOM 74 OE2 GLU A 5 15.993 7.208 -6.500 1.00 3.43 O ATOM 0 H GLU A 5 11.205 8.344 -8.648 1.00 0.65 H new ATOM 0 HA GLU A 5 13.349 6.918 -7.300 1.00 0.77 H new ATOM 0 HB2 GLU A 5 13.642 8.430 -9.288 1.00 1.05 H new ATOM 0 HB3 GLU A 5 13.150 9.782 -8.287 1.00 1.05 H new ATOM 0 HG2 GLU A 5 15.607 9.610 -8.503 1.00 1.70 H new ATOM 0 HG3 GLU A 5 15.074 9.502 -6.837 1.00 1.70 H new ATOM 81 N GLU A 6 12.405 7.552 -5.034 1.00 0.58 N ATOM 82 CA GLU A 6 12.109 7.949 -3.667 1.00 0.45 C ATOM 83 C GLU A 6 12.714 6.977 -2.663 1.00 0.38 C ATOM 84 O GLU A 6 13.872 7.113 -2.274 1.00 0.44 O ATOM 85 CB GLU A 6 10.600 7.992 -3.455 1.00 0.45 C ATOM 86 CG GLU A 6 9.959 9.355 -3.616 1.00 0.66 C ATOM 87 CD GLU A 6 8.699 9.311 -4.464 1.00 1.75 C ATOM 88 OE1 GLU A 6 8.816 9.130 -5.702 1.00 2.17 O ATOM 89 OE2 GLU A 6 7.593 9.455 -3.901 1.00 2.53 O ATOM 0 H GLU A 6 12.448 6.543 -5.176 1.00 0.58 H new ATOM 0 HA GLU A 6 12.544 8.936 -3.509 1.00 0.45 H new ATOM 0 HB2 GLU A 6 10.132 7.304 -4.159 1.00 0.45 H new ATOM 0 HB3 GLU A 6 10.380 7.622 -2.453 1.00 0.45 H new ATOM 0 HG2 GLU A 6 9.717 9.757 -2.632 1.00 0.66 H new ATOM 0 HG3 GLU A 6 10.676 10.038 -4.072 1.00 0.66 H new ATOM 96 N MET A 7 11.901 5.996 -2.265 1.00 0.32 N ATOM 97 CA MET A 7 12.272 5.011 -1.255 1.00 0.29 C ATOM 98 C MET A 7 12.829 5.674 0.000 1.00 0.34 C ATOM 99 O MET A 7 13.941 5.373 0.432 1.00 0.70 O ATOM 100 CB MET A 7 13.258 3.978 -1.813 1.00 0.35 C ATOM 101 CG MET A 7 12.583 2.833 -2.545 1.00 0.30 C ATOM 102 SD MET A 7 13.750 1.769 -3.415 1.00 0.45 S ATOM 103 CE MET A 7 14.426 2.912 -4.622 1.00 1.60 C ATOM 0 H MET A 7 10.961 5.865 -2.639 1.00 0.32 H new ATOM 0 HA MET A 7 11.361 4.484 -0.973 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.949 4.477 -2.493 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.853 3.575 -0.993 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.018 2.235 -1.830 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.866 3.238 -3.260 1.00 0.30 H new ATOM 0 HE1 MET A 7 14.813 2.354 -5.475 1.00 1.60 H new ATOM 0 HE2 MET A 7 13.643 3.592 -4.958 1.00 1.60 H new ATOM 0 HE3 MET A 7 15.234 3.486 -4.167 1.00 1.60 H new ATOM 113 N VAL A 8 12.041 6.586 0.571 1.00 0.31 N ATOM 114 CA VAL A 8 12.405 7.255 1.818 1.00 0.30 C ATOM 115 C VAL A 8 11.294 8.225 2.274 1.00 0.31 C ATOM 116 O VAL A 8 11.438 9.449 2.219 1.00 0.46 O ATOM 117 CB VAL A 8 13.774 7.986 1.679 1.00 0.39 C ATOM 118 CG1 VAL A 8 13.761 8.994 0.534 1.00 1.50 C ATOM 119 CG2 VAL A 8 14.193 8.658 2.979 1.00 1.12 C ATOM 0 H VAL A 8 11.143 6.878 0.187 1.00 0.31 H new ATOM 0 HA VAL A 8 12.513 6.493 2.590 1.00 0.30 H new ATOM 0 HB VAL A 8 14.514 7.220 1.446 1.00 0.39 H new ATOM 0 HG11 VAL A 8 14.733 9.483 0.469 1.00 1.50 H new ATOM 0 HG12 VAL A 8 13.551 8.478 -0.403 1.00 1.50 H new ATOM 0 HG13 VAL A 8 12.990 9.742 0.717 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.152 9.156 2.838 1.00 1.12 H new ATOM 0 HG22 VAL A 8 13.442 9.393 3.267 1.00 1.12 H new ATOM 0 HG23 VAL A 8 14.286 7.907 3.763 1.00 1.12 H new ATOM 129 N GLN A 9 10.160 7.671 2.704 1.00 0.23 N ATOM 130 CA GLN A 9 9.119 8.486 3.311 1.00 0.24 C ATOM 131 C GLN A 9 8.790 8.007 4.731 1.00 0.26 C ATOM 132 O GLN A 9 9.108 8.690 5.700 1.00 0.38 O ATOM 133 CB GLN A 9 7.876 8.511 2.428 1.00 0.26 C ATOM 134 CG GLN A 9 8.013 9.400 1.200 1.00 0.31 C ATOM 135 CD GLN A 9 8.091 10.882 1.529 1.00 1.15 C ATOM 136 OE1 GLN A 9 8.588 11.280 2.580 1.00 1.97 O ATOM 137 NE2 GLN A 9 7.603 11.711 0.622 1.00 1.86 N ATOM 0 H GLN A 9 9.945 6.676 2.643 1.00 0.23 H new ATOM 0 HA GLN A 9 9.493 9.506 3.395 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.650 7.495 2.106 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.028 8.854 3.020 1.00 0.26 H new ATOM 0 HG2 GLN A 9 8.908 9.111 0.650 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.163 9.227 0.540 1.00 0.31 H new ATOM 0 HE21 GLN A 9 7.198 11.344 -0.239 1.00 1.86 H new ATOM 0 HE22 GLN A 9 7.632 12.718 0.783 1.00 1.86 H new ATOM 146 N THR A 10 8.178 6.834 4.864 1.00 0.21 N ATOM 147 CA THR A 10 7.847 6.300 6.185 1.00 0.21 C ATOM 148 C THR A 10 8.627 5.020 6.460 1.00 0.21 C ATOM 149 O THR A 10 8.422 4.005 5.799 1.00 0.21 O ATOM 150 CB THR A 10 6.342 6.003 6.316 1.00 0.23 C ATOM 151 OG1 THR A 10 5.585 7.136 5.868 1.00 0.26 O ATOM 152 CG2 THR A 10 5.975 5.694 7.761 1.00 0.28 C ATOM 0 H THR A 10 7.903 6.239 4.083 1.00 0.21 H new ATOM 0 HA THR A 10 8.121 7.063 6.914 1.00 0.21 H new ATOM 0 HB THR A 10 6.109 5.134 5.701 1.00 0.23 H new ATOM 0 HG1 THR A 10 4.628 6.943 5.951 1.00 0.26 H new ATOM 0 HG21 THR A 10 4.907 5.487 7.829 1.00 0.28 H new ATOM 0 HG22 THR A 10 6.535 4.823 8.100 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.220 6.550 8.390 1.00 0.28 H new ATOM 160 N GLU A 11 9.538 5.076 7.415 1.00 0.25 N ATOM 161 CA GLU A 11 10.383 3.936 7.714 1.00 0.28 C ATOM 162 C GLU A 11 9.982 3.212 8.999 1.00 0.25 C ATOM 163 O GLU A 11 9.587 3.820 9.996 1.00 0.40 O ATOM 164 CB GLU A 11 11.840 4.380 7.776 1.00 0.45 C ATOM 165 CG GLU A 11 12.816 3.282 8.139 1.00 0.47 C ATOM 166 CD GLU A 11 14.241 3.778 8.116 1.00 0.70 C ATOM 167 OE1 GLU A 11 14.717 4.167 7.032 1.00 1.50 O ATOM 168 OE2 GLU A 11 14.883 3.818 9.185 1.00 1.15 O ATOM 0 H GLU A 11 9.711 5.897 7.995 1.00 0.25 H new ATOM 0 HA GLU A 11 10.251 3.215 6.907 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.122 4.794 6.808 1.00 0.45 H new ATOM 0 HB3 GLU A 11 11.931 5.185 8.505 1.00 0.45 H new ATOM 0 HG2 GLU A 11 12.580 2.897 9.131 1.00 0.47 H new ATOM 0 HG3 GLU A 11 12.707 2.452 7.441 1.00 0.47 H new ATOM 175 N GLU A 12 10.098 1.899 8.922 1.00 0.31 N ATOM 176 CA GLU A 12 9.858 0.976 10.014 1.00 0.31 C ATOM 177 C GLU A 12 11.148 0.180 10.227 1.00 0.33 C ATOM 178 O GLU A 12 12.225 0.671 9.897 1.00 0.50 O ATOM 179 CB GLU A 12 8.697 0.045 9.644 1.00 0.38 C ATOM 180 CG GLU A 12 7.680 -0.171 10.753 1.00 0.56 C ATOM 181 CD GLU A 12 8.269 -0.863 11.958 1.00 0.89 C ATOM 182 OE1 GLU A 12 8.728 -2.014 11.822 1.00 1.37 O ATOM 183 OE2 GLU A 12 8.259 -0.258 13.049 1.00 1.56 O ATOM 0 H GLU A 12 10.374 1.428 8.060 1.00 0.31 H new ATOM 0 HA GLU A 12 9.589 1.501 10.930 1.00 0.31 H new ATOM 0 HB2 GLU A 12 8.184 0.454 8.773 1.00 0.38 H new ATOM 0 HB3 GLU A 12 9.104 -0.922 9.349 1.00 0.38 H new ATOM 0 HG2 GLU A 12 7.270 0.792 11.057 1.00 0.56 H new ATOM 0 HG3 GLU A 12 6.850 -0.764 10.369 1.00 0.56 H new ATOM 190 N MET A 13 11.064 -1.031 10.759 1.00 0.38 N ATOM 191 CA MET A 13 12.268 -1.820 11.004 1.00 0.46 C ATOM 192 C MET A 13 12.862 -2.405 9.718 1.00 0.40 C ATOM 193 O MET A 13 14.078 -2.407 9.549 1.00 0.49 O ATOM 194 CB MET A 13 11.983 -2.936 12.007 1.00 0.61 C ATOM 195 CG MET A 13 11.631 -2.423 13.394 1.00 0.92 C ATOM 196 SD MET A 13 11.269 -3.748 14.561 1.00 1.76 S ATOM 197 CE MET A 13 10.937 -2.792 16.040 1.00 2.64 C ATOM 0 H MET A 13 10.191 -1.485 11.026 1.00 0.38 H new ATOM 0 HA MET A 13 13.010 -1.139 11.421 1.00 0.46 H new ATOM 0 HB2 MET A 13 11.162 -3.549 11.635 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.857 -3.583 12.078 1.00 0.61 H new ATOM 0 HG2 MET A 13 12.459 -1.826 13.776 1.00 0.92 H new ATOM 0 HG3 MET A 13 10.767 -1.762 13.323 1.00 0.92 H new ATOM 0 HE1 MET A 13 10.695 -3.466 16.862 1.00 2.64 H new ATOM 0 HE2 MET A 13 11.818 -2.205 16.300 1.00 2.64 H new ATOM 0 HE3 MET A 13 10.096 -2.123 15.859 1.00 2.64 H new ATOM 207 N GLU A 14 12.021 -2.884 8.799 1.00 0.30 N ATOM 208 CA GLU A 14 12.540 -3.485 7.564 1.00 0.28 C ATOM 209 C GLU A 14 12.341 -2.571 6.357 1.00 0.31 C ATOM 210 O GLU A 14 13.028 -2.711 5.357 1.00 0.61 O ATOM 211 CB GLU A 14 11.841 -4.820 7.282 1.00 0.33 C ATOM 212 CG GLU A 14 12.308 -5.520 6.009 1.00 0.45 C ATOM 213 CD GLU A 14 13.686 -6.130 6.132 1.00 0.86 C ATOM 214 OE1 GLU A 14 14.680 -5.381 6.125 1.00 1.19 O ATOM 215 OE2 GLU A 14 13.779 -7.372 6.221 1.00 1.33 O ATOM 0 H GLU A 14 11.004 -2.870 8.879 1.00 0.30 H new ATOM 0 HA GLU A 14 13.608 -3.641 7.715 1.00 0.28 H new ATOM 0 HB2 GLU A 14 12.003 -5.487 8.129 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.767 -4.646 7.214 1.00 0.33 H new ATOM 0 HG2 GLU A 14 11.594 -6.302 5.750 1.00 0.45 H new ATOM 0 HG3 GLU A 14 12.308 -4.803 5.188 1.00 0.45 H new ATOM 222 N THR A 15 11.428 -1.620 6.459 1.00 0.20 N ATOM 223 CA THR A 15 11.096 -0.766 5.323 1.00 0.18 C ATOM 224 C THR A 15 12.253 0.155 5.004 1.00 0.21 C ATOM 225 O THR A 15 12.934 0.636 5.913 1.00 0.30 O ATOM 226 CB THR A 15 9.867 0.108 5.600 1.00 0.23 C ATOM 227 OG1 THR A 15 10.238 1.125 6.515 1.00 1.04 O ATOM 228 CG2 THR A 15 8.727 -0.713 6.174 1.00 0.90 C ATOM 0 H THR A 15 10.904 -1.418 7.310 1.00 0.20 H new ATOM 0 HA THR A 15 10.883 -1.430 4.486 1.00 0.18 H new ATOM 0 HB THR A 15 9.520 0.545 4.664 1.00 0.23 H new ATOM 0 HG1 THR A 15 11.209 1.110 6.645 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.870 -0.066 6.360 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.446 -1.492 5.465 1.00 0.90 H new ATOM 0 HG23 THR A 15 9.045 -1.172 7.110 1.00 0.90 H new ATOM 236 N PRO A 16 12.468 0.457 3.728 1.00 0.21 N ATOM 237 CA PRO A 16 13.509 1.363 3.315 1.00 0.24 C ATOM 238 C PRO A 16 12.953 2.767 3.322 1.00 0.21 C ATOM 239 O PRO A 16 13.191 3.563 2.416 1.00 0.22 O ATOM 240 CB PRO A 16 13.846 0.879 1.909 1.00 0.28 C ATOM 241 CG PRO A 16 12.601 0.219 1.401 1.00 0.26 C ATOM 242 CD PRO A 16 11.669 0.014 2.577 1.00 0.19 C ATOM 0 HA PRO A 16 14.391 1.380 3.955 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.138 1.711 1.268 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.682 0.180 1.925 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.125 0.837 0.640 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.839 -0.736 0.932 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.756 0.600 2.473 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.369 -1.029 2.674 1.00 0.19 H new ATOM 250 N ARG A 17 12.186 3.031 4.376 1.00 0.21 N ATOM 251 CA ARG A 17 11.408 4.239 4.503 1.00 0.21 C ATOM 252 C ARG A 17 10.438 4.336 3.338 1.00 0.19 C ATOM 253 O ARG A 17 10.566 5.168 2.458 1.00 0.28 O ATOM 254 CB ARG A 17 12.331 5.449 4.583 1.00 0.26 C ATOM 255 CG ARG A 17 11.754 6.599 5.375 1.00 0.39 C ATOM 256 CD ARG A 17 12.840 7.565 5.776 1.00 0.37 C ATOM 257 NE ARG A 17 13.881 6.905 6.568 1.00 1.13 N ATOM 258 CZ ARG A 17 14.775 7.546 7.314 1.00 1.48 C ATOM 259 NH1 ARG A 17 14.780 8.874 7.366 1.00 1.46 N ATOM 260 NH2 ARG A 17 15.664 6.849 8.014 1.00 2.42 N ATOM 0 H ARG A 17 12.093 2.398 5.171 1.00 0.21 H new ATOM 0 HA ARG A 17 10.826 4.216 5.425 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.276 5.146 5.035 1.00 0.26 H new ATOM 0 HB3 ARG A 17 12.556 5.791 3.573 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.001 7.116 4.780 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.251 6.219 6.264 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.285 8.005 4.883 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.407 8.382 6.352 1.00 0.37 H new ATOM 0 HE ARG A 17 13.922 5.886 6.545 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.095 9.408 6.831 1.00 1.46 H new ATOM 0 HH12 ARG A 17 15.469 9.359 7.941 1.00 1.46 H new ATOM 0 HH21 ARG A 17 15.657 5.830 7.976 1.00 2.42 H new ATOM 0 HH22 ARG A 17 16.353 7.333 8.589 1.00 2.42 H new ATOM 274 N LEU A 18 9.471 3.452 3.317 1.00 0.16 N ATOM 275 CA LEU A 18 8.536 3.409 2.215 1.00 0.14 C ATOM 276 C LEU A 18 7.130 3.807 2.628 1.00 0.13 C ATOM 277 O LEU A 18 6.512 3.161 3.474 1.00 0.15 O ATOM 278 CB LEU A 18 8.499 2.022 1.625 1.00 0.19 C ATOM 279 CG LEU A 18 9.278 1.834 0.327 1.00 0.23 C ATOM 280 CD1 LEU A 18 10.644 2.484 0.407 1.00 0.25 C ATOM 281 CD2 LEU A 18 9.396 0.357 -0.011 1.00 0.27 C ATOM 0 H LEU A 18 9.309 2.756 4.045 1.00 0.16 H new ATOM 0 HA LEU A 18 8.885 4.131 1.476 1.00 0.14 H new ATOM 0 HB2 LEU A 18 8.887 1.322 2.365 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.459 1.751 1.445 1.00 0.19 H new ATOM 0 HG LEU A 18 8.727 2.327 -0.474 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.175 2.333 -0.533 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.528 3.552 0.591 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.213 2.035 1.221 1.00 0.25 H new ATOM 0 HD21 LEU A 18 9.954 0.240 -0.940 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.918 -0.160 0.794 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.400 -0.070 -0.130 1.00 0.27 H new ATOM 293 N SER A 19 6.626 4.860 2.002 1.00 0.16 N ATOM 294 CA SER A 19 5.274 5.315 2.246 1.00 0.16 C ATOM 295 C SER A 19 4.464 5.316 0.961 1.00 0.14 C ATOM 296 O SER A 19 4.861 5.908 -0.040 1.00 0.18 O ATOM 297 CB SER A 19 5.303 6.708 2.839 1.00 0.23 C ATOM 298 OG SER A 19 3.999 7.241 2.985 1.00 0.67 O ATOM 0 H SER A 19 7.140 5.415 1.318 1.00 0.16 H new ATOM 0 HA SER A 19 4.800 4.631 2.949 1.00 0.16 H new ATOM 0 HB2 SER A 19 5.796 6.680 3.811 1.00 0.23 H new ATOM 0 HB3 SER A 19 5.895 7.363 2.200 1.00 0.23 H new ATOM 0 HG SER A 19 3.930 8.080 2.483 1.00 0.67 H new ATOM 304 N VAL A 20 3.312 4.696 1.030 1.00 0.14 N ATOM 305 CA VAL A 20 2.442 4.505 -0.107 1.00 0.14 C ATOM 306 C VAL A 20 1.307 5.503 -0.057 1.00 0.13 C ATOM 307 O VAL A 20 0.925 5.989 1.008 1.00 0.14 O ATOM 308 CB VAL A 20 1.835 3.090 -0.107 1.00 0.19 C ATOM 309 CG1 VAL A 20 0.914 2.926 1.070 1.00 0.89 C ATOM 310 CG2 VAL A 20 1.077 2.803 -1.387 1.00 0.85 C ATOM 0 H VAL A 20 2.944 4.301 1.896 1.00 0.14 H new ATOM 0 HA VAL A 20 3.038 4.644 -1.009 1.00 0.14 H new ATOM 0 HB VAL A 20 2.658 2.379 -0.036 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.489 1.922 1.062 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.473 3.076 1.993 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.111 3.661 1.009 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.664 1.795 -1.347 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.266 3.523 -1.499 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.754 2.884 -2.237 1.00 0.85 H new ATOM 320 N ILE A 21 0.781 5.816 -1.211 1.00 0.16 N ATOM 321 CA ILE A 21 -0.298 6.756 -1.306 1.00 0.18 C ATOM 322 C ILE A 21 -1.616 6.012 -1.379 1.00 0.16 C ATOM 323 O ILE A 21 -1.903 5.333 -2.364 1.00 0.20 O ATOM 324 CB ILE A 21 -0.099 7.613 -2.559 1.00 0.28 C ATOM 325 CG1 ILE A 21 1.362 8.050 -2.635 1.00 0.23 C ATOM 326 CG2 ILE A 21 -1.028 8.812 -2.567 1.00 0.50 C ATOM 327 CD1 ILE A 21 1.858 8.754 -1.386 1.00 0.73 C ATOM 0 H ILE A 21 1.087 5.429 -2.104 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.312 7.400 -0.427 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.346 7.018 -3.438 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.984 7.174 -2.818 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.488 8.715 -3.490 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -0.859 9.397 -3.471 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.063 8.471 -2.544 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.831 9.431 -1.692 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.903 9.033 -1.517 1.00 0.73 H new ATOM 0 HD12 ILE A 21 1.262 9.650 -1.212 1.00 0.73 H new ATOM 0 HD13 ILE A 21 1.765 8.085 -0.530 1.00 0.73 H new ATOM 339 N VAL A 22 -2.416 6.158 -0.337 1.00 0.14 N ATOM 340 CA VAL A 22 -3.687 5.467 -0.253 1.00 0.13 C ATOM 341 C VAL A 22 -4.831 6.444 -0.383 1.00 0.13 C ATOM 342 O VAL A 22 -5.046 7.264 0.507 1.00 0.20 O ATOM 343 CB VAL A 22 -3.846 4.736 1.092 1.00 0.15 C ATOM 344 CG1 VAL A 22 -5.111 3.898 1.096 1.00 0.16 C ATOM 345 CG2 VAL A 22 -2.631 3.884 1.393 1.00 0.20 C ATOM 0 H VAL A 22 -2.205 6.752 0.465 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.705 4.743 -1.068 1.00 0.13 H new ATOM 0 HB VAL A 22 -3.930 5.485 1.879 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.207 3.388 2.055 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -5.975 4.543 0.940 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -5.061 3.159 0.296 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.769 3.378 2.349 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.503 3.142 0.605 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.745 4.518 1.442 1.00 0.20 H new ATOM 355 N THR A 23 -5.594 6.343 -1.450 1.00 0.15 N ATOM 356 CA THR A 23 -6.690 7.267 -1.640 1.00 0.18 C ATOM 357 C THR A 23 -8.009 6.546 -1.918 1.00 0.15 C ATOM 358 O THR A 23 -8.043 5.393 -2.356 1.00 0.16 O ATOM 359 CB THR A 23 -6.386 8.316 -2.740 1.00 0.33 C ATOM 360 OG1 THR A 23 -7.482 9.227 -2.873 1.00 1.21 O ATOM 361 CG2 THR A 23 -6.100 7.665 -4.082 1.00 0.87 C ATOM 0 H THR A 23 -5.480 5.645 -2.185 1.00 0.15 H new ATOM 0 HA THR A 23 -6.803 7.804 -0.698 1.00 0.18 H new ATOM 0 HB THR A 23 -5.492 8.858 -2.432 1.00 0.33 H new ATOM 0 HG1 THR A 23 -7.277 9.886 -3.569 1.00 1.21 H new ATOM 0 HG21 THR A 23 -5.892 8.436 -4.824 1.00 0.87 H new ATOM 0 HG22 THR A 23 -5.236 7.007 -3.991 1.00 0.87 H new ATOM 0 HG23 THR A 23 -6.967 7.083 -4.396 1.00 0.87 H new ATOM 369 N HIS A 24 -9.079 7.242 -1.583 1.00 0.20 N ATOM 370 CA HIS A 24 -10.443 6.803 -1.811 1.00 0.24 C ATOM 371 C HIS A 24 -11.239 8.030 -2.223 1.00 0.34 C ATOM 372 O HIS A 24 -11.491 8.903 -1.392 1.00 0.38 O ATOM 373 CB HIS A 24 -10.989 6.198 -0.504 1.00 0.31 C ATOM 374 CG HIS A 24 -12.482 6.235 -0.331 1.00 0.47 C ATOM 375 ND1 HIS A 24 -13.101 6.973 0.659 1.00 1.20 N ATOM 376 CD2 HIS A 24 -13.474 5.611 -1.003 1.00 1.13 C ATOM 377 CE1 HIS A 24 -14.404 6.792 0.589 1.00 1.08 C ATOM 378 NE2 HIS A 24 -14.659 5.973 -0.412 1.00 0.96 N ATOM 0 H HIS A 24 -9.022 8.155 -1.132 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.508 6.043 -2.589 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.662 5.160 -0.444 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.533 6.725 0.334 1.00 0.31 H new ATOM 0 HD1 HIS A 24 -12.624 7.566 1.338 1.00 1.20 H new ATOM 0 HD2 HIS A 24 -13.357 4.950 -1.849 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.139 7.239 1.242 1.00 1.08 H new ATOM 387 N SER A 25 -11.612 8.096 -3.502 1.00 0.41 N ATOM 388 CA SER A 25 -12.297 9.265 -4.076 1.00 0.55 C ATOM 389 C SER A 25 -11.372 10.502 -4.119 1.00 0.60 C ATOM 390 O SER A 25 -11.353 11.244 -5.102 1.00 0.99 O ATOM 391 CB SER A 25 -13.576 9.577 -3.283 1.00 0.63 C ATOM 392 OG SER A 25 -14.322 10.623 -3.880 1.00 1.17 O ATOM 0 H SER A 25 -11.450 7.344 -4.172 1.00 0.41 H new ATOM 0 HA SER A 25 -12.568 9.020 -5.103 1.00 0.55 H new ATOM 0 HB2 SER A 25 -14.193 8.680 -3.220 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.313 9.855 -2.262 1.00 0.63 H new ATOM 0 HG SER A 25 -15.129 10.793 -3.350 1.00 1.17 H new ATOM 398 N ASN A 26 -10.604 10.689 -3.048 1.00 0.44 N ATOM 399 CA ASN A 26 -9.721 11.841 -2.857 1.00 0.50 C ATOM 400 C ASN A 26 -9.029 11.707 -1.513 1.00 0.43 C ATOM 401 O ASN A 26 -7.872 12.085 -1.345 1.00 0.47 O ATOM 402 CB ASN A 26 -10.487 13.172 -2.886 1.00 0.65 C ATOM 403 CG ASN A 26 -11.713 13.186 -1.990 1.00 1.42 C ATOM 404 OD1 ASN A 26 -11.632 13.510 -0.806 1.00 2.19 O ATOM 405 ND2 ASN A 26 -12.863 12.853 -2.553 1.00 2.02 N ATOM 0 H ASN A 26 -10.577 10.030 -2.270 1.00 0.44 H new ATOM 0 HA ASN A 26 -9.002 11.851 -3.676 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -9.816 13.975 -2.582 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -10.793 13.383 -3.911 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -13.721 12.860 -2.002 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -12.891 12.590 -3.538 1.00 2.02 H new ATOM 412 N GLU A 27 -9.778 11.149 -0.572 1.00 0.41 N ATOM 413 CA GLU A 27 -9.317 10.894 0.782 1.00 0.42 C ATOM 414 C GLU A 27 -8.027 10.075 0.775 1.00 0.37 C ATOM 415 O GLU A 27 -8.037 8.879 0.470 1.00 0.49 O ATOM 416 CB GLU A 27 -10.430 10.149 1.502 1.00 0.50 C ATOM 417 CG GLU A 27 -10.091 9.707 2.900 1.00 0.58 C ATOM 418 CD GLU A 27 -11.174 8.821 3.475 1.00 1.21 C ATOM 419 OE1 GLU A 27 -11.951 8.240 2.680 1.00 1.58 O ATOM 420 OE2 GLU A 27 -11.264 8.710 4.707 1.00 1.75 O ATOM 0 H GLU A 27 -10.742 10.856 -0.734 1.00 0.41 H new ATOM 0 HA GLU A 27 -9.091 11.831 1.292 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.311 10.790 1.542 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.701 9.272 0.914 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -9.143 9.169 2.894 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -9.957 10.581 3.537 1.00 0.58 H new ATOM 427 N ARG A 28 -6.926 10.706 1.152 1.00 0.33 N ATOM 428 CA ARG A 28 -5.610 10.135 0.920 1.00 0.33 C ATOM 429 C ARG A 28 -4.757 10.127 2.190 1.00 0.30 C ATOM 430 O ARG A 28 -4.583 11.145 2.848 1.00 0.36 O ATOM 431 CB ARG A 28 -4.909 10.914 -0.204 1.00 0.48 C ATOM 432 CG ARG A 28 -3.720 10.190 -0.818 1.00 0.72 C ATOM 433 CD ARG A 28 -2.467 10.320 0.031 1.00 0.76 C ATOM 434 NE ARG A 28 -1.910 11.668 -0.011 1.00 1.75 N ATOM 435 CZ ARG A 28 -0.669 11.965 0.357 1.00 2.38 C ATOM 436 NH1 ARG A 28 0.151 11.002 0.746 1.00 2.45 N ATOM 437 NH2 ARG A 28 -0.244 13.219 0.315 1.00 3.31 N ATOM 0 H ARG A 28 -6.918 11.613 1.619 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.736 9.095 0.620 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -5.634 11.128 -0.989 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -4.572 11.873 0.189 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -3.964 9.135 -0.943 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -3.526 10.592 -1.812 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.700 10.057 1.063 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -1.719 9.608 -0.318 1.00 0.76 H new ATOM 0 HE ARG A 28 -2.508 12.425 -0.342 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -0.171 10.034 0.763 1.00 2.45 H new ATOM 0 HH12 ARG A 28 1.105 11.228 1.029 1.00 2.45 H new ATOM 0 HH21 ARG A 28 -0.870 13.960 -0.001 1.00 3.31 H new ATOM 0 HH22 ARG A 28 0.710 13.444 0.598 1.00 3.31 H new ATOM 451 N TYR A 29 -4.232 8.954 2.513 1.00 0.28 N ATOM 452 CA TYR A 29 -3.365 8.764 3.672 1.00 0.27 C ATOM 453 C TYR A 29 -2.047 8.133 3.245 1.00 0.25 C ATOM 454 O TYR A 29 -2.035 7.244 2.389 1.00 0.27 O ATOM 455 CB TYR A 29 -4.054 7.887 4.726 1.00 0.34 C ATOM 456 CG TYR A 29 -5.199 8.583 5.424 1.00 0.93 C ATOM 457 CD1 TYR A 29 -6.473 8.600 4.871 1.00 1.65 C ATOM 458 CD2 TYR A 29 -4.998 9.239 6.630 1.00 1.30 C ATOM 459 CE1 TYR A 29 -7.515 9.250 5.504 1.00 2.31 C ATOM 460 CE2 TYR A 29 -6.033 9.894 7.267 1.00 1.95 C ATOM 461 CZ TYR A 29 -7.290 9.897 6.700 1.00 2.36 C ATOM 462 OH TYR A 29 -8.322 10.559 7.326 1.00 3.09 O ATOM 0 H TYR A 29 -4.395 8.102 1.977 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.163 9.740 4.114 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -4.426 6.980 4.248 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -3.319 7.577 5.469 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -6.652 8.097 3.932 1.00 1.65 H new ATOM 0 HD2 TYR A 29 -4.015 9.237 7.078 1.00 1.30 H new ATOM 0 HE1 TYR A 29 -8.501 9.251 5.064 1.00 2.31 H new ATOM 0 HE2 TYR A 29 -5.859 10.401 8.204 1.00 1.95 H new ATOM 0 HH TYR A 29 -7.996 10.960 8.158 1.00 3.09 H new ATOM 472 N ASP A 30 -0.942 8.612 3.803 1.00 0.27 N ATOM 473 CA ASP A 30 0.352 7.970 3.582 1.00 0.30 C ATOM 474 C ASP A 30 0.416 6.711 4.440 1.00 0.25 C ATOM 475 O ASP A 30 0.312 6.778 5.665 1.00 0.34 O ATOM 476 CB ASP A 30 1.521 8.880 3.990 1.00 0.50 C ATOM 477 CG ASP A 30 1.799 10.002 3.015 1.00 1.27 C ATOM 478 OD1 ASP A 30 2.406 9.734 1.956 1.00 1.99 O ATOM 479 OD2 ASP A 30 1.403 11.155 3.291 1.00 2.01 O ATOM 0 H ASP A 30 -0.913 9.434 4.406 1.00 0.27 H new ATOM 0 HA ASP A 30 0.442 7.746 2.519 1.00 0.30 H new ATOM 0 HB2 ASP A 30 1.309 9.308 4.970 1.00 0.50 H new ATOM 0 HB3 ASP A 30 2.420 8.273 4.095 1.00 0.50 H new ATOM 484 N LEU A 31 0.589 5.577 3.796 1.00 0.18 N ATOM 485 CA LEU A 31 0.607 4.289 4.478 1.00 0.15 C ATOM 486 C LEU A 31 1.985 3.666 4.302 1.00 0.14 C ATOM 487 O LEU A 31 2.679 3.984 3.356 1.00 0.18 O ATOM 488 CB LEU A 31 -0.490 3.386 3.901 1.00 0.15 C ATOM 489 CG LEU A 31 -1.352 2.639 4.914 1.00 0.14 C ATOM 490 CD1 LEU A 31 -0.557 1.521 5.573 1.00 0.17 C ATOM 491 CD2 LEU A 31 -1.881 3.604 5.964 1.00 0.16 C ATOM 0 H LEU A 31 0.721 5.516 2.787 1.00 0.18 H new ATOM 0 HA LEU A 31 0.410 4.416 5.543 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.144 3.997 3.279 1.00 0.15 H new ATOM 0 HB3 LEU A 31 -0.020 2.653 3.245 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.197 2.194 4.389 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.189 1.000 6.292 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.218 0.818 4.812 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.306 1.943 6.088 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.495 3.060 6.682 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -1.044 4.072 6.483 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.484 4.373 5.481 1.00 0.16 H new ATOM 503 N LEU A 32 2.412 2.819 5.207 1.00 0.15 N ATOM 504 CA LEU A 32 3.777 2.327 5.151 1.00 0.16 C ATOM 505 C LEU A 32 3.821 0.893 4.637 1.00 0.14 C ATOM 506 O LEU A 32 3.030 0.049 5.057 1.00 0.14 O ATOM 507 CB LEU A 32 4.446 2.494 6.526 1.00 0.19 C ATOM 508 CG LEU A 32 5.539 1.484 6.896 1.00 0.22 C ATOM 509 CD1 LEU A 32 6.593 2.154 7.761 1.00 0.52 C ATOM 510 CD2 LEU A 32 4.944 0.298 7.645 1.00 0.73 C ATOM 0 H LEU A 32 1.851 2.459 5.979 1.00 0.15 H new ATOM 0 HA LEU A 32 4.349 2.919 4.437 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.878 3.493 6.573 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.669 2.447 7.289 1.00 0.19 H new ATOM 0 HG LEU A 32 5.999 1.123 5.976 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.366 1.430 8.019 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.041 2.982 7.212 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.130 2.531 8.673 1.00 0.52 H new ATOM 0 HD21 LEU A 32 5.736 -0.407 7.898 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.464 0.648 8.559 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.206 -0.197 7.014 1.00 0.73 H new ATOM 522 N VAL A 33 4.766 0.639 3.728 1.00 0.14 N ATOM 523 CA VAL A 33 4.911 -0.667 3.091 1.00 0.14 C ATOM 524 C VAL A 33 5.302 -1.701 4.136 1.00 0.14 C ATOM 525 O VAL A 33 6.001 -1.388 5.098 1.00 0.15 O ATOM 526 CB VAL A 33 5.960 -0.632 1.927 1.00 0.17 C ATOM 527 CG1 VAL A 33 6.934 -1.801 1.992 1.00 0.98 C ATOM 528 CG2 VAL A 33 5.241 -0.629 0.589 1.00 1.15 C ATOM 0 H VAL A 33 5.448 1.331 3.416 1.00 0.14 H new ATOM 0 HA VAL A 33 3.953 -0.942 2.650 1.00 0.14 H new ATOM 0 HB VAL A 33 6.544 0.282 2.038 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.641 -1.732 1.165 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.477 -1.770 2.937 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.382 -2.738 1.921 1.00 0.98 H new ATOM 0 HG21 VAL A 33 5.974 -0.605 -0.218 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.634 -1.530 0.500 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.599 0.249 0.523 1.00 1.15 H new ATOM 538 N THR A 34 4.862 -2.934 3.938 1.00 0.14 N ATOM 539 CA THR A 34 4.889 -3.919 4.995 1.00 0.17 C ATOM 540 C THR A 34 6.270 -4.555 5.122 1.00 0.17 C ATOM 541 O THR A 34 6.771 -5.205 4.200 1.00 0.18 O ATOM 542 CB THR A 34 3.834 -5.007 4.730 1.00 0.19 C ATOM 543 OG1 THR A 34 2.577 -4.391 4.418 1.00 0.21 O ATOM 544 CG2 THR A 34 3.672 -5.915 5.941 1.00 0.23 C ATOM 0 H THR A 34 4.483 -3.271 3.053 1.00 0.14 H new ATOM 0 HA THR A 34 4.660 -3.413 5.933 1.00 0.17 H new ATOM 0 HB THR A 34 4.168 -5.613 3.888 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.630 -3.969 3.535 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.921 -6.675 5.728 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.624 -6.398 6.164 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.356 -5.323 6.800 1.00 0.23 H new ATOM 552 N PRO A 35 6.896 -4.341 6.287 1.00 0.18 N ATOM 553 CA PRO A 35 8.256 -4.781 6.578 1.00 0.20 C ATOM 554 C PRO A 35 8.346 -6.274 6.888 1.00 0.23 C ATOM 555 O PRO A 35 7.335 -6.922 7.162 1.00 0.35 O ATOM 556 CB PRO A 35 8.641 -3.939 7.788 1.00 0.27 C ATOM 557 CG PRO A 35 7.358 -3.737 8.515 1.00 0.32 C ATOM 558 CD PRO A 35 6.294 -3.649 7.450 1.00 0.22 C ATOM 0 HA PRO A 35 8.920 -4.649 5.724 1.00 0.20 H new ATOM 0 HB2 PRO A 35 9.376 -4.449 8.411 1.00 0.27 H new ATOM 0 HB3 PRO A 35 9.083 -2.989 7.488 1.00 0.27 H new ATOM 0 HG2 PRO A 35 7.161 -4.563 9.198 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.387 -2.828 9.115 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.370 -4.132 7.768 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.048 -2.613 7.215 1.00 0.22 H new ATOM 566 N GLN A 36 9.573 -6.791 6.817 1.00 0.26 N ATOM 567 CA GLN A 36 9.878 -8.220 6.928 1.00 0.29 C ATOM 568 C GLN A 36 9.634 -8.919 5.598 1.00 0.30 C ATOM 569 O GLN A 36 9.018 -9.979 5.526 1.00 0.73 O ATOM 570 CB GLN A 36 9.122 -8.905 8.078 1.00 0.42 C ATOM 571 CG GLN A 36 9.494 -8.355 9.446 1.00 0.59 C ATOM 572 CD GLN A 36 8.924 -9.170 10.589 1.00 0.98 C ATOM 573 OE1 GLN A 36 9.562 -10.104 11.078 1.00 1.69 O ATOM 574 NE2 GLN A 36 7.723 -8.821 11.025 1.00 1.72 N ATOM 0 H GLN A 36 10.403 -6.215 6.677 1.00 0.26 H new ATOM 0 HA GLN A 36 10.936 -8.307 7.176 1.00 0.29 H new ATOM 0 HB2 GLN A 36 8.050 -8.784 7.923 1.00 0.42 H new ATOM 0 HB3 GLN A 36 9.329 -9.975 8.055 1.00 0.42 H new ATOM 0 HG2 GLN A 36 10.580 -8.324 9.536 1.00 0.59 H new ATOM 0 HG3 GLN A 36 9.138 -7.328 9.527 1.00 0.59 H new ATOM 0 HE21 GLN A 36 7.230 -8.041 10.591 1.00 1.72 H new ATOM 0 HE22 GLN A 36 7.291 -9.332 11.795 1.00 1.72 H new ATOM 583 N GLN A 37 10.126 -8.286 4.541 1.00 0.33 N ATOM 584 CA GLN A 37 10.155 -8.887 3.217 1.00 0.26 C ATOM 585 C GLN A 37 11.549 -8.743 2.638 1.00 0.30 C ATOM 586 O GLN A 37 12.420 -9.589 2.835 1.00 0.74 O ATOM 587 CB GLN A 37 9.155 -8.226 2.261 1.00 0.23 C ATOM 588 CG GLN A 37 8.122 -9.196 1.692 1.00 0.26 C ATOM 589 CD GLN A 37 8.622 -10.631 1.647 1.00 0.44 C ATOM 590 OE1 GLN A 37 9.214 -11.064 0.661 1.00 1.02 O ATOM 591 NE2 GLN A 37 8.384 -11.380 2.713 1.00 1.42 N ATOM 0 H GLN A 37 10.515 -7.344 4.579 1.00 0.33 H new ATOM 0 HA GLN A 37 9.879 -9.936 3.323 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.637 -7.424 2.787 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.702 -7.766 1.438 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.216 -9.151 2.297 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.849 -8.880 0.685 1.00 0.26 H new ATOM 0 HE21 GLN A 37 7.889 -10.986 3.513 1.00 1.42 H new ATOM 0 HE22 GLN A 37 8.695 -12.351 2.734 1.00 1.42 H new ATOM 600 N GLY A 38 11.745 -7.633 1.955 1.00 0.43 N ATOM 601 CA GLY A 38 13.036 -7.270 1.433 1.00 0.34 C ATOM 602 C GLY A 38 13.096 -5.779 1.283 1.00 0.38 C ATOM 603 O GLY A 38 13.843 -5.267 0.459 1.00 0.83 O ATOM 0 H GLY A 38 11.008 -6.959 1.749 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.824 -7.614 2.103 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.203 -7.753 0.470 1.00 0.34 H new ATOM 607 N ASN A 39 12.260 -5.111 2.102 1.00 0.27 N ATOM 608 CA ASN A 39 11.987 -3.657 2.064 1.00 0.22 C ATOM 609 C ASN A 39 11.454 -3.176 0.712 1.00 0.21 C ATOM 610 O ASN A 39 10.485 -2.430 0.658 1.00 0.27 O ATOM 611 CB ASN A 39 13.185 -2.802 2.528 1.00 0.29 C ATOM 612 CG ASN A 39 14.401 -2.807 1.611 1.00 0.40 C ATOM 613 OD1 ASN A 39 14.410 -2.160 0.564 1.00 1.06 O ATOM 614 ND2 ASN A 39 15.455 -3.493 2.020 1.00 1.11 N ATOM 0 H ASN A 39 11.735 -5.586 2.837 1.00 0.27 H new ATOM 0 HA ASN A 39 11.188 -3.508 2.790 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.847 -1.772 2.646 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.495 -3.151 3.513 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.309 -3.496 1.462 1.00 1.11 H new ATOM 0 HD22 ASN A 39 15.414 -4.019 2.893 1.00 1.11 H new ATOM 621 N SER A 40 12.063 -3.625 -0.357 1.00 0.24 N ATOM 622 CA SER A 40 11.702 -3.217 -1.698 1.00 0.32 C ATOM 623 C SER A 40 10.716 -4.193 -2.303 1.00 0.32 C ATOM 624 O SER A 40 10.109 -3.929 -3.329 1.00 0.50 O ATOM 625 CB SER A 40 12.961 -3.183 -2.544 1.00 0.40 C ATOM 626 OG SER A 40 12.672 -2.979 -3.918 1.00 1.42 O ATOM 0 H SER A 40 12.833 -4.293 -0.323 1.00 0.24 H new ATOM 0 HA SER A 40 11.236 -2.232 -1.664 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.615 -2.387 -2.189 1.00 0.40 H new ATOM 0 HB3 SER A 40 13.505 -4.120 -2.423 1.00 0.40 H new ATOM 0 HG SER A 40 13.508 -2.962 -4.429 1.00 1.42 H new ATOM 632 N GLU A 41 10.565 -5.322 -1.660 1.00 0.24 N ATOM 633 CA GLU A 41 9.764 -6.393 -2.194 1.00 0.31 C ATOM 634 C GLU A 41 8.700 -6.755 -1.179 1.00 0.26 C ATOM 635 O GLU A 41 8.777 -7.797 -0.565 1.00 0.30 O ATOM 636 CB GLU A 41 10.679 -7.585 -2.503 1.00 0.45 C ATOM 637 CG GLU A 41 9.985 -8.772 -3.143 1.00 1.12 C ATOM 638 CD GLU A 41 10.962 -9.834 -3.597 1.00 1.32 C ATOM 639 OE1 GLU A 41 11.533 -9.701 -4.698 1.00 1.66 O ATOM 640 OE2 GLU A 41 11.165 -10.816 -2.851 1.00 1.83 O ATOM 0 H GLU A 41 10.991 -5.524 -0.756 1.00 0.24 H new ATOM 0 HA GLU A 41 9.269 -6.093 -3.118 1.00 0.31 H new ATOM 0 HB2 GLU A 41 11.478 -7.250 -3.164 1.00 0.45 H new ATOM 0 HB3 GLU A 41 11.149 -7.914 -1.576 1.00 0.45 H new ATOM 0 HG2 GLU A 41 9.284 -9.207 -2.431 1.00 1.12 H new ATOM 0 HG3 GLU A 41 9.400 -8.431 -3.997 1.00 1.12 H new ATOM 647 N PRO A 42 7.704 -5.870 -0.983 1.00 0.22 N ATOM 648 CA PRO A 42 6.693 -6.001 0.080 1.00 0.21 C ATOM 649 C PRO A 42 5.858 -7.271 -0.047 1.00 0.20 C ATOM 650 O PRO A 42 5.829 -7.909 -1.093 1.00 0.20 O ATOM 651 CB PRO A 42 5.809 -4.763 -0.093 1.00 0.23 C ATOM 652 CG PRO A 42 6.621 -3.818 -0.906 1.00 0.26 C ATOM 653 CD PRO A 42 7.464 -4.671 -1.801 1.00 0.24 C ATOM 0 HA PRO A 42 7.162 -6.070 1.062 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.874 -5.013 -0.595 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.546 -4.328 0.871 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.982 -3.153 -1.487 1.00 0.26 H new ATOM 0 HG3 PRO A 42 7.241 -3.187 -0.269 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.949 -4.913 -2.731 1.00 0.24 H new ATOM 0 HD3 PRO A 42 8.395 -4.174 -2.072 1.00 0.24 H new ATOM 661 N VAL A 43 5.174 -7.633 1.031 1.00 0.21 N ATOM 662 CA VAL A 43 4.450 -8.896 1.082 1.00 0.22 C ATOM 663 C VAL A 43 3.158 -8.826 0.278 1.00 0.19 C ATOM 664 O VAL A 43 2.628 -7.750 0.034 1.00 0.17 O ATOM 665 CB VAL A 43 4.095 -9.297 2.532 1.00 0.26 C ATOM 666 CG1 VAL A 43 5.342 -9.502 3.374 1.00 0.32 C ATOM 667 CG2 VAL A 43 3.188 -8.262 3.177 1.00 0.24 C ATOM 0 H VAL A 43 5.106 -7.071 1.880 1.00 0.21 H new ATOM 0 HA VAL A 43 5.115 -9.645 0.652 1.00 0.22 H new ATOM 0 HB VAL A 43 3.560 -10.246 2.484 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.055 -9.783 4.387 1.00 0.32 H new ATOM 0 HG12 VAL A 43 5.950 -10.294 2.937 1.00 0.32 H new ATOM 0 HG13 VAL A 43 5.917 -8.577 3.403 1.00 0.32 H new ATOM 0 HG21 VAL A 43 2.954 -8.568 4.196 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.693 -7.296 3.196 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.266 -8.178 2.602 1.00 0.24 H new ATOM 677 N VAL A 44 2.647 -9.994 -0.098 1.00 0.22 N ATOM 678 CA VAL A 44 1.377 -10.117 -0.823 1.00 0.22 C ATOM 679 C VAL A 44 0.258 -9.373 -0.103 1.00 0.20 C ATOM 680 O VAL A 44 -0.706 -8.945 -0.719 1.00 0.25 O ATOM 681 CB VAL A 44 0.977 -11.593 -1.011 1.00 0.27 C ATOM 682 CG1 VAL A 44 1.820 -12.242 -2.095 1.00 0.36 C ATOM 683 CG2 VAL A 44 1.114 -12.358 0.298 1.00 0.36 C ATOM 0 H VAL A 44 3.100 -10.888 0.090 1.00 0.22 H new ATOM 0 HA VAL A 44 1.526 -9.668 -1.805 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.068 -11.626 -1.321 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.522 -13.284 -2.213 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.671 -11.714 -3.037 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.872 -12.195 -1.815 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.827 -13.398 0.143 1.00 0.36 H new ATOM 0 HG22 VAL A 44 2.149 -12.314 0.639 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.465 -11.910 1.051 1.00 0.36 H new ATOM 693 N GLN A 45 0.378 -9.292 1.208 1.00 0.19 N ATOM 694 CA GLN A 45 -0.573 -8.571 2.053 1.00 0.19 C ATOM 695 C GLN A 45 -0.535 -7.063 1.806 1.00 0.16 C ATOM 696 O GLN A 45 -1.562 -6.402 1.899 1.00 0.19 O ATOM 697 CB GLN A 45 -0.300 -8.836 3.530 1.00 0.25 C ATOM 698 CG GLN A 45 -0.351 -10.298 3.915 1.00 0.62 C ATOM 699 CD GLN A 45 -0.205 -10.502 5.408 1.00 0.89 C ATOM 700 OE1 GLN A 45 -0.580 -9.642 6.204 1.00 1.66 O ATOM 701 NE2 GLN A 45 0.335 -11.642 5.799 1.00 1.44 N ATOM 0 H GLN A 45 1.142 -9.726 1.727 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.563 -8.942 1.788 1.00 0.19 H new ATOM 0 HB2 GLN A 45 0.683 -8.439 3.784 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -1.029 -8.288 4.127 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -1.296 -10.727 3.582 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.443 -10.836 3.397 1.00 0.62 H new ATOM 0 HE21 GLN A 45 0.633 -12.329 5.107 1.00 1.44 H new ATOM 0 HE22 GLN A 45 0.454 -11.835 6.793 1.00 1.44 H new ATOM 710 N ASP A 46 0.640 -6.537 1.471 1.00 0.15 N ATOM 711 CA ASP A 46 0.938 -5.105 1.579 1.00 0.14 C ATOM 712 C ASP A 46 -0.048 -4.223 0.820 1.00 0.14 C ATOM 713 O ASP A 46 -0.559 -3.256 1.367 1.00 0.15 O ATOM 714 CB ASP A 46 2.351 -4.850 1.055 1.00 0.17 C ATOM 715 CG ASP A 46 2.651 -3.383 0.859 1.00 0.14 C ATOM 716 OD1 ASP A 46 3.075 -2.737 1.835 1.00 0.16 O ATOM 717 OD2 ASP A 46 2.469 -2.884 -0.279 1.00 0.17 O ATOM 0 H ASP A 46 1.418 -7.092 1.115 1.00 0.15 H new ATOM 0 HA ASP A 46 0.852 -4.839 2.632 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.073 -5.273 1.753 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.481 -5.372 0.107 1.00 0.17 H new ATOM 722 N LEU A 47 -0.343 -4.563 -0.419 1.00 0.18 N ATOM 723 CA LEU A 47 -1.185 -3.734 -1.240 1.00 0.22 C ATOM 724 C LEU A 47 -2.576 -3.561 -0.614 1.00 0.19 C ATOM 725 O LEU A 47 -3.116 -2.453 -0.577 1.00 0.22 O ATOM 726 CB LEU A 47 -1.249 -4.343 -2.639 1.00 0.28 C ATOM 727 CG LEU A 47 -2.240 -5.493 -2.860 1.00 0.62 C ATOM 728 CD1 LEU A 47 -2.224 -5.915 -4.305 1.00 1.07 C ATOM 729 CD2 LEU A 47 -1.915 -6.687 -1.989 1.00 1.01 C ATOM 0 H LEU A 47 -0.008 -5.412 -0.875 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.763 -2.732 -1.312 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -1.493 -3.547 -3.343 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.253 -4.702 -2.897 1.00 0.28 H new ATOM 0 HG LEU A 47 -3.231 -5.130 -2.587 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -2.930 -6.732 -4.453 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -2.508 -5.071 -4.934 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -1.222 -6.248 -4.576 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -2.639 -7.480 -2.174 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -0.914 -7.047 -2.225 1.00 1.01 H new ATOM 0 HD23 LEU A 47 -1.958 -6.394 -0.940 1.00 1.01 H new ATOM 741 N ALA A 48 -3.130 -4.650 -0.096 1.00 0.18 N ATOM 742 CA ALA A 48 -4.393 -4.604 0.619 1.00 0.17 C ATOM 743 C ALA A 48 -4.210 -3.882 1.933 1.00 0.14 C ATOM 744 O ALA A 48 -5.046 -3.087 2.343 1.00 0.16 O ATOM 745 CB ALA A 48 -4.909 -6.009 0.876 1.00 0.19 C ATOM 0 H ALA A 48 -2.718 -5.581 -0.160 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.120 -4.069 0.008 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.856 -5.956 1.413 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -5.059 -6.521 -0.074 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.183 -6.559 1.474 1.00 0.19 H new ATOM 751 N GLN A 49 -3.069 -4.149 2.545 1.00 0.13 N ATOM 752 CA GLN A 49 -2.743 -3.665 3.871 1.00 0.13 C ATOM 753 C GLN A 49 -2.739 -2.160 3.912 1.00 0.12 C ATOM 754 O GLN A 49 -3.301 -1.545 4.800 1.00 0.13 O ATOM 755 CB GLN A 49 -1.346 -4.157 4.246 1.00 0.15 C ATOM 756 CG GLN A 49 -0.803 -3.591 5.547 1.00 0.20 C ATOM 757 CD GLN A 49 -0.997 -4.530 6.723 1.00 0.33 C ATOM 758 OE1 GLN A 49 -1.155 -4.095 7.862 1.00 0.94 O ATOM 759 NE2 GLN A 49 -0.979 -5.827 6.455 1.00 1.35 N ATOM 0 H GLN A 49 -2.333 -4.717 2.126 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.494 -4.038 4.568 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.366 -5.244 4.319 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.658 -3.904 3.440 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.259 -3.378 5.430 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -1.297 -2.643 5.760 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -0.845 -6.148 5.496 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -1.099 -6.505 7.208 1.00 1.35 H new ATOM 768 N LEU A 50 -2.085 -1.588 2.939 1.00 0.12 N ATOM 769 CA LEU A 50 -1.930 -0.150 2.855 1.00 0.12 C ATOM 770 C LEU A 50 -3.291 0.554 2.758 1.00 0.12 C ATOM 771 O LEU A 50 -3.632 1.423 3.575 1.00 0.13 O ATOM 772 CB LEU A 50 -1.093 0.152 1.623 1.00 0.12 C ATOM 773 CG LEU A 50 0.312 -0.474 1.611 1.00 0.11 C ATOM 774 CD1 LEU A 50 0.961 -0.302 0.251 1.00 0.12 C ATOM 775 CD2 LEU A 50 1.173 0.136 2.693 1.00 0.13 C ATOM 0 H LEU A 50 -1.641 -2.101 2.177 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.441 0.220 3.756 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.634 -0.195 0.743 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -0.991 1.233 1.529 1.00 0.12 H new ATOM 0 HG LEU A 50 0.215 -1.541 1.811 1.00 0.11 H new ATOM 0 HD11 LEU A 50 1.954 -0.751 0.262 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.350 -0.791 -0.508 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.046 0.760 0.020 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.163 -0.319 2.670 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.263 1.209 2.525 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.715 -0.042 3.666 1.00 0.13 H new ATOM 787 N VAL A 51 -4.083 0.122 1.793 1.00 0.11 N ATOM 788 CA VAL A 51 -5.421 0.655 1.575 1.00 0.10 C ATOM 789 C VAL A 51 -6.312 0.390 2.798 1.00 0.10 C ATOM 790 O VAL A 51 -7.143 1.221 3.171 1.00 0.10 O ATOM 791 CB VAL A 51 -5.992 0.025 0.304 1.00 0.11 C ATOM 792 CG1 VAL A 51 -7.240 -0.793 0.568 1.00 0.21 C ATOM 793 CG2 VAL A 51 -6.242 1.104 -0.725 1.00 0.18 C ATOM 0 H VAL A 51 -3.818 -0.611 1.135 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.381 1.736 1.445 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.254 -0.677 -0.085 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.602 -1.217 -0.369 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.007 -1.598 1.264 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.010 -0.153 0.999 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.649 0.655 -1.631 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.953 1.828 -0.328 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.304 1.608 -0.959 1.00 0.18 H new ATOM 803 N GLU A 52 -6.079 -0.760 3.434 1.00 0.11 N ATOM 804 CA GLU A 52 -6.813 -1.184 4.622 1.00 0.12 C ATOM 805 C GLU A 52 -6.415 -0.363 5.850 1.00 0.13 C ATOM 806 O GLU A 52 -7.267 0.175 6.553 1.00 0.16 O ATOM 807 CB GLU A 52 -6.530 -2.675 4.870 1.00 0.17 C ATOM 808 CG GLU A 52 -6.873 -3.172 6.261 1.00 0.50 C ATOM 809 CD GLU A 52 -6.613 -4.657 6.428 1.00 0.53 C ATOM 810 OE1 GLU A 52 -5.431 -5.052 6.533 1.00 0.74 O ATOM 811 OE2 GLU A 52 -7.589 -5.436 6.453 1.00 0.74 O ATOM 0 H GLU A 52 -5.368 -1.427 3.134 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.878 -1.024 4.453 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -7.092 -3.261 4.143 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.473 -2.864 4.684 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.287 -2.619 6.995 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -7.923 -2.965 6.469 1.00 0.50 H new ATOM 818 N GLU A 53 -5.113 -0.235 6.070 1.00 0.13 N ATOM 819 CA GLU A 53 -4.575 0.393 7.274 1.00 0.15 C ATOM 820 C GLU A 53 -4.835 1.893 7.274 1.00 0.16 C ATOM 821 O GLU A 53 -4.863 2.522 8.332 1.00 0.19 O ATOM 822 CB GLU A 53 -3.076 0.101 7.388 1.00 0.19 C ATOM 823 CG GLU A 53 -2.388 0.726 8.596 1.00 0.24 C ATOM 824 CD GLU A 53 -2.988 0.289 9.917 1.00 0.84 C ATOM 825 OE1 GLU A 53 -2.824 -0.891 10.286 1.00 1.32 O ATOM 826 OE2 GLU A 53 -3.650 1.116 10.581 1.00 1.51 O ATOM 0 H GLU A 53 -4.399 -0.563 5.420 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.083 -0.029 8.141 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -2.933 -0.979 7.426 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.582 0.456 6.483 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -1.330 0.463 8.580 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -2.448 1.812 8.519 1.00 0.24 H new ATOM 833 N ALA A 54 -5.041 2.465 6.090 1.00 0.16 N ATOM 834 CA ALA A 54 -5.263 3.903 5.977 1.00 0.18 C ATOM 835 C ALA A 54 -6.434 4.365 6.843 1.00 0.21 C ATOM 836 O ALA A 54 -6.311 5.337 7.586 1.00 0.30 O ATOM 837 CB ALA A 54 -5.504 4.287 4.527 1.00 0.24 C ATOM 0 H ALA A 54 -5.059 1.960 5.204 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.364 4.403 6.338 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.668 5.362 4.458 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.635 4.013 3.929 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.382 3.761 4.153 1.00 0.24 H new ATOM 843 N THR A 55 -7.564 3.683 6.747 1.00 0.25 N ATOM 844 CA THR A 55 -8.715 4.023 7.575 1.00 0.33 C ATOM 845 C THR A 55 -9.070 2.914 8.572 1.00 0.29 C ATOM 846 O THR A 55 -9.817 3.142 9.523 1.00 0.39 O ATOM 847 CB THR A 55 -9.928 4.360 6.701 1.00 0.51 C ATOM 848 OG1 THR A 55 -9.843 3.634 5.472 1.00 1.14 O ATOM 849 CG2 THR A 55 -9.992 5.856 6.418 1.00 1.66 C ATOM 0 H THR A 55 -7.711 2.898 6.112 1.00 0.25 H new ATOM 0 HA THR A 55 -8.436 4.902 8.157 1.00 0.33 H new ATOM 0 HB THR A 55 -10.835 4.075 7.234 1.00 0.51 H new ATOM 0 HG1 THR A 55 -9.144 4.027 4.908 1.00 1.14 H new ATOM 0 HG21 THR A 55 -10.861 6.072 5.796 1.00 1.66 H new ATOM 0 HG22 THR A 55 -10.074 6.401 7.358 1.00 1.66 H new ATOM 0 HG23 THR A 55 -9.087 6.167 5.897 1.00 1.66 H new ATOM 857 N GLY A 56 -8.532 1.716 8.361 1.00 0.25 N ATOM 858 CA GLY A 56 -8.777 0.620 9.287 1.00 0.26 C ATOM 859 C GLY A 56 -9.899 -0.291 8.829 1.00 0.29 C ATOM 860 O GLY A 56 -10.462 -1.046 9.628 1.00 0.34 O ATOM 0 H GLY A 56 -7.933 1.483 7.569 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -7.864 0.036 9.402 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -9.022 1.026 10.268 1.00 0.26 H new ATOM 864 N VAL A 57 -10.219 -0.230 7.543 1.00 0.30 N ATOM 865 CA VAL A 57 -11.332 -0.997 6.993 1.00 0.36 C ATOM 866 C VAL A 57 -10.879 -2.366 6.510 1.00 0.29 C ATOM 867 O VAL A 57 -9.748 -2.540 6.074 1.00 0.26 O ATOM 868 CB VAL A 57 -12.025 -0.270 5.819 1.00 0.50 C ATOM 869 CG1 VAL A 57 -13.444 0.112 6.197 1.00 1.62 C ATOM 870 CG2 VAL A 57 -11.243 0.956 5.393 1.00 1.33 C ATOM 0 H VAL A 57 -9.724 0.343 6.860 1.00 0.30 H new ATOM 0 HA VAL A 57 -12.045 -1.109 7.810 1.00 0.36 H new ATOM 0 HB VAL A 57 -12.059 -0.956 4.973 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -13.919 0.623 5.359 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -14.010 -0.787 6.441 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -13.424 0.775 7.062 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -11.756 1.445 4.565 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -11.165 1.648 6.232 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -10.244 0.658 5.075 1.00 1.33 H new ATOM 880 N PRO A 58 -11.774 -3.356 6.604 1.00 0.32 N ATOM 881 CA PRO A 58 -11.526 -4.729 6.145 1.00 0.34 C ATOM 882 C PRO A 58 -11.493 -4.853 4.629 1.00 0.31 C ATOM 883 O PRO A 58 -12.076 -4.020 3.929 1.00 0.27 O ATOM 884 CB PRO A 58 -12.727 -5.497 6.683 1.00 0.39 C ATOM 885 CG PRO A 58 -13.802 -4.472 6.700 1.00 0.39 C ATOM 886 CD PRO A 58 -13.126 -3.219 7.174 1.00 0.37 C ATOM 0 HA PRO A 58 -10.557 -5.091 6.488 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -12.985 -6.341 6.044 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.536 -5.898 7.679 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.236 -4.337 5.709 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.614 -4.761 7.367 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.631 -2.323 6.813 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -13.104 -3.155 8.262 1.00 0.37 H new ATOM 894 N LEU A 59 -10.841 -5.893 4.123 1.00 0.35 N ATOM 895 CA LEU A 59 -10.738 -6.120 2.678 1.00 0.36 C ATOM 896 C LEU A 59 -12.083 -5.950 1.939 1.00 0.36 C ATOM 897 O LEU A 59 -12.112 -5.295 0.902 1.00 0.37 O ATOM 898 CB LEU A 59 -10.168 -7.513 2.372 1.00 0.45 C ATOM 899 CG LEU A 59 -8.727 -7.761 2.833 1.00 1.21 C ATOM 900 CD1 LEU A 59 -8.676 -8.039 4.326 1.00 1.79 C ATOM 901 CD2 LEU A 59 -8.112 -8.913 2.056 1.00 2.08 C ATOM 0 H LEU A 59 -10.372 -6.598 4.691 1.00 0.35 H new ATOM 0 HA LEU A 59 -10.057 -5.353 2.310 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -10.812 -8.259 2.838 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -10.218 -7.677 1.296 1.00 0.45 H new ATOM 0 HG LEU A 59 -8.147 -6.860 2.636 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -7.643 -8.212 4.629 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -9.075 -7.183 4.869 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -9.273 -8.922 4.552 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -7.089 -9.076 2.395 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -8.698 -9.817 2.222 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -8.108 -8.673 0.993 1.00 2.08 H new ATOM 913 N PRO A 60 -13.227 -6.487 2.446 1.00 0.38 N ATOM 914 CA PRO A 60 -14.509 -6.404 1.729 1.00 0.41 C ATOM 915 C PRO A 60 -15.055 -4.980 1.632 1.00 0.38 C ATOM 916 O PRO A 60 -15.966 -4.709 0.849 1.00 0.46 O ATOM 917 CB PRO A 60 -15.462 -7.277 2.554 1.00 0.47 C ATOM 918 CG PRO A 60 -14.583 -8.061 3.459 1.00 0.52 C ATOM 919 CD PRO A 60 -13.400 -7.188 3.727 1.00 0.42 C ATOM 0 HA PRO A 60 -14.394 -6.733 0.696 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -16.166 -6.666 3.120 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -16.052 -7.932 1.913 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -15.100 -8.315 4.384 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -14.280 -9.000 2.995 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.585 -6.495 4.548 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -12.518 -7.770 3.994 1.00 0.42 H new ATOM 927 N PHE A 61 -14.502 -4.068 2.423 1.00 0.33 N ATOM 928 CA PHE A 61 -14.996 -2.700 2.446 1.00 0.34 C ATOM 929 C PHE A 61 -14.253 -1.815 1.458 1.00 0.28 C ATOM 930 O PHE A 61 -14.755 -0.763 1.055 1.00 0.31 O ATOM 931 CB PHE A 61 -14.878 -2.115 3.846 1.00 0.37 C ATOM 932 CG PHE A 61 -16.156 -2.172 4.631 1.00 0.44 C ATOM 933 CD1 PHE A 61 -16.611 -3.375 5.147 1.00 0.45 C ATOM 934 CD2 PHE A 61 -16.900 -1.026 4.858 1.00 0.66 C ATOM 935 CE1 PHE A 61 -17.785 -3.433 5.875 1.00 0.56 C ATOM 936 CE2 PHE A 61 -18.076 -1.078 5.584 1.00 0.77 C ATOM 937 CZ PHE A 61 -18.527 -2.273 6.079 1.00 0.68 C ATOM 0 H PHE A 61 -13.719 -4.250 3.051 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.045 -2.730 2.152 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.102 -2.653 4.391 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -14.554 -1.077 3.771 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -16.042 -4.277 4.979 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -16.558 -0.081 4.463 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -18.125 -4.373 6.283 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -18.640 -0.174 5.761 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.457 -2.315 6.627 1.00 0.68 H new ATOM 947 N GLN A 62 -13.072 -2.240 1.047 1.00 0.22 N ATOM 948 CA GLN A 62 -12.313 -1.477 0.076 1.00 0.19 C ATOM 949 C GLN A 62 -11.981 -2.333 -1.136 1.00 0.19 C ATOM 950 O GLN A 62 -11.644 -3.503 -0.997 1.00 0.33 O ATOM 951 CB GLN A 62 -11.001 -0.936 0.655 1.00 0.19 C ATOM 952 CG GLN A 62 -10.081 -1.993 1.240 1.00 0.25 C ATOM 953 CD GLN A 62 -9.797 -1.773 2.707 1.00 0.40 C ATOM 954 OE1 GLN A 62 -9.821 -0.648 3.193 1.00 0.96 O ATOM 955 NE2 GLN A 62 -9.495 -2.847 3.411 1.00 0.29 N ATOM 0 H GLN A 62 -12.623 -3.098 1.366 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.943 -0.635 -0.211 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.466 -0.403 -0.131 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.235 -0.208 1.432 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.532 -2.976 1.105 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.141 -1.995 0.689 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.488 -3.764 2.964 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.269 -2.760 4.402 1.00 0.29 H new ATOM 964 N LYS A 63 -12.080 -1.776 -2.326 1.00 0.19 N ATOM 965 CA LYS A 63 -11.507 -2.438 -3.479 1.00 0.18 C ATOM 966 C LYS A 63 -10.213 -1.744 -3.842 1.00 0.13 C ATOM 967 O LYS A 63 -10.216 -0.744 -4.563 1.00 0.14 O ATOM 968 CB LYS A 63 -12.452 -2.461 -4.679 1.00 0.26 C ATOM 969 CG LYS A 63 -11.930 -3.342 -5.803 1.00 1.14 C ATOM 970 CD LYS A 63 -12.875 -3.401 -6.990 1.00 1.68 C ATOM 971 CE LYS A 63 -12.370 -4.395 -8.025 1.00 2.52 C ATOM 972 NZ LYS A 63 -13.266 -4.487 -9.206 1.00 3.15 N ATOM 0 H LYS A 63 -12.541 -0.887 -2.518 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.323 -3.479 -3.214 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -13.431 -2.821 -4.362 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.591 -1.445 -5.050 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -10.962 -2.966 -6.133 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -11.768 -4.351 -5.423 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -13.871 -3.690 -6.655 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -12.965 -2.412 -7.440 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -11.373 -4.100 -8.351 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -12.277 -5.379 -7.565 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -12.880 -5.176 -9.882 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -14.212 -4.794 -8.901 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -13.335 -3.555 -9.663 1.00 3.15 H new ATOM 986 N LEU A 64 -9.108 -2.273 -3.337 1.00 0.12 N ATOM 987 CA LEU A 64 -7.819 -1.662 -3.551 1.00 0.10 C ATOM 988 C LEU A 64 -7.319 -2.010 -4.932 1.00 0.12 C ATOM 989 O LEU A 64 -7.135 -3.186 -5.271 1.00 0.14 O ATOM 990 CB LEU A 64 -6.826 -2.119 -2.463 1.00 0.11 C ATOM 991 CG LEU A 64 -5.327 -1.829 -2.694 1.00 0.13 C ATOM 992 CD1 LEU A 64 -4.657 -2.919 -3.516 1.00 0.48 C ATOM 993 CD2 LEU A 64 -5.129 -0.488 -3.367 1.00 0.51 C ATOM 0 H LEU A 64 -9.086 -3.125 -2.777 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.912 -0.578 -3.481 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.118 -1.649 -1.524 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -6.943 -3.195 -2.332 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.857 -1.807 -1.711 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.604 -2.675 -3.654 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.743 -3.872 -2.995 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.143 -2.992 -4.489 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -4.064 -0.310 -3.517 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.637 -0.486 -4.331 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.543 0.300 -2.738 1.00 0.51 H new ATOM 1005 N ILE A 65 -7.142 -0.959 -5.714 1.00 0.12 N ATOM 1006 CA ILE A 65 -6.560 -1.039 -7.029 1.00 0.14 C ATOM 1007 C ILE A 65 -5.416 -0.042 -7.125 1.00 0.15 C ATOM 1008 O ILE A 65 -5.631 1.175 -7.063 1.00 0.16 O ATOM 1009 CB ILE A 65 -7.609 -0.647 -8.066 1.00 0.16 C ATOM 1010 CG1 ILE A 65 -8.838 -1.557 -7.952 1.00 0.17 C ATOM 1011 CG2 ILE A 65 -7.021 -0.682 -9.476 1.00 0.20 C ATOM 1012 CD1 ILE A 65 -8.588 -2.983 -8.401 1.00 1.20 C ATOM 0 H ILE A 65 -7.406 -0.012 -5.441 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.205 -2.054 -7.208 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.926 0.377 -7.868 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -9.176 -1.566 -6.916 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.647 -1.135 -8.548 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.788 -0.399 -10.197 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.187 0.017 -9.540 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.668 -1.689 -9.698 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -9.503 -3.565 -8.291 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -8.279 -2.986 -9.446 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -7.801 -3.425 -7.789 1.00 1.20 H new ATOM 1024 N PHE A 66 -4.211 -0.548 -7.172 1.00 0.17 N ATOM 1025 CA PHE A 66 -3.047 0.259 -7.461 1.00 0.18 C ATOM 1026 C PHE A 66 -1.854 -0.617 -7.751 1.00 0.20 C ATOM 1027 O PHE A 66 -1.837 -1.774 -7.336 1.00 0.20 O ATOM 1028 CB PHE A 66 -2.749 1.320 -6.438 1.00 0.19 C ATOM 1029 CG PHE A 66 -2.667 2.688 -7.074 1.00 0.23 C ATOM 1030 CD1 PHE A 66 -1.705 2.960 -8.035 1.00 0.45 C ATOM 1031 CD2 PHE A 66 -3.562 3.688 -6.730 1.00 0.25 C ATOM 1032 CE1 PHE A 66 -1.637 4.201 -8.639 1.00 0.51 C ATOM 1033 CE2 PHE A 66 -3.497 4.933 -7.327 1.00 0.28 C ATOM 1034 CZ PHE A 66 -2.534 5.189 -8.284 1.00 0.36 C ATOM 0 H PHE A 66 -4.005 -1.534 -7.011 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.288 0.826 -8.360 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.525 1.318 -5.673 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.808 1.092 -5.938 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.000 2.192 -8.315 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -4.320 3.492 -5.986 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -0.884 4.398 -9.387 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -4.198 5.705 -7.046 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.483 6.160 -8.754 1.00 0.36 H new ATOM 1044 N LYS A 67 -0.930 -0.109 -8.553 1.00 0.22 N ATOM 1045 CA LYS A 67 0.313 -0.804 -8.917 1.00 0.25 C ATOM 1046 C LYS A 67 -0.001 -2.026 -9.750 1.00 0.28 C ATOM 1047 O LYS A 67 0.744 -3.005 -9.755 1.00 0.32 O ATOM 1048 CB LYS A 67 1.220 -1.203 -7.696 1.00 0.25 C ATOM 1049 CG LYS A 67 0.605 -1.209 -6.273 1.00 0.18 C ATOM 1050 CD LYS A 67 1.605 -1.747 -5.239 1.00 0.21 C ATOM 1051 CE LYS A 67 1.013 -1.883 -3.836 1.00 0.18 C ATOM 1052 NZ LYS A 67 2.049 -1.723 -2.768 1.00 0.19 N ATOM 0 H LYS A 67 -1.017 0.813 -8.981 1.00 0.22 H new ATOM 0 HA LYS A 67 0.894 -0.085 -9.494 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.611 -2.202 -7.889 1.00 0.25 H new ATOM 0 HB3 LYS A 67 2.072 -0.524 -7.683 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.304 -0.198 -6.000 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.296 -1.823 -6.266 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.968 -2.721 -5.568 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.468 -1.082 -5.198 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.233 -1.134 -3.698 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.539 -2.859 -3.737 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.780 -2.287 -1.937 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.969 -2.050 -3.125 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 2.118 -0.721 -2.499 1.00 0.19 H new ATOM 1066 N GLY A 68 -1.091 -1.923 -10.502 1.00 0.31 N ATOM 1067 CA GLY A 68 -1.564 -3.032 -11.304 1.00 0.38 C ATOM 1068 C GLY A 68 -1.942 -4.207 -10.448 1.00 0.38 C ATOM 1069 O GLY A 68 -2.111 -5.327 -10.935 1.00 0.47 O ATOM 0 H GLY A 68 -1.660 -1.079 -10.569 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.426 -2.716 -11.892 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.788 -3.329 -12.010 1.00 0.38 H new ATOM 1073 N LYS A 69 -2.067 -3.938 -9.166 1.00 0.30 N ATOM 1074 CA LYS A 69 -2.375 -4.954 -8.194 1.00 0.33 C ATOM 1075 C LYS A 69 -3.690 -4.636 -7.498 1.00 0.24 C ATOM 1076 O LYS A 69 -4.045 -3.472 -7.307 1.00 0.23 O ATOM 1077 CB LYS A 69 -1.262 -5.033 -7.158 1.00 0.41 C ATOM 1078 CG LYS A 69 0.129 -5.144 -7.744 1.00 0.62 C ATOM 1079 CD LYS A 69 1.182 -5.156 -6.652 1.00 0.58 C ATOM 1080 CE LYS A 69 1.242 -6.500 -5.958 1.00 0.44 C ATOM 1081 NZ LYS A 69 1.871 -7.527 -6.822 1.00 1.21 N ATOM 0 H LYS A 69 -1.957 -3.004 -8.772 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.464 -5.911 -8.707 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.307 -4.147 -6.525 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.442 -5.894 -6.514 1.00 0.41 H new ATOM 0 HG2 LYS A 69 0.205 -6.055 -8.337 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.310 -4.308 -8.419 1.00 0.62 H new ATOM 0 HD2 LYS A 69 2.156 -4.923 -7.081 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.960 -4.377 -5.922 1.00 0.58 H new ATOM 0 HE2 LYS A 69 1.807 -6.407 -5.030 1.00 0.44 H new ATOM 0 HE3 LYS A 69 0.235 -6.817 -5.688 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 2.591 -8.045 -6.278 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 1.145 -8.192 -7.156 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 2.320 -7.066 -7.639 1.00 1.21 H new ATOM 1095 N SER A 70 -4.404 -5.673 -7.129 1.00 0.23 N ATOM 1096 CA SER A 70 -5.657 -5.526 -6.421 1.00 0.21 C ATOM 1097 C SER A 70 -5.549 -6.212 -5.061 1.00 0.23 C ATOM 1098 O SER A 70 -4.827 -7.192 -4.920 1.00 0.31 O ATOM 1099 CB SER A 70 -6.792 -6.116 -7.266 1.00 0.24 C ATOM 1100 OG SER A 70 -8.061 -5.961 -6.643 1.00 1.27 O ATOM 0 H SER A 70 -4.135 -6.640 -7.310 1.00 0.23 H new ATOM 0 HA SER A 70 -5.878 -4.472 -6.252 1.00 0.21 H new ATOM 0 HB2 SER A 70 -6.806 -5.631 -8.242 1.00 0.24 H new ATOM 0 HB3 SER A 70 -6.601 -7.175 -7.439 1.00 0.24 H new ATOM 0 HG SER A 70 -8.079 -5.119 -6.142 1.00 1.27 H new ATOM 1106 N LEU A 71 -6.274 -5.708 -4.071 1.00 0.19 N ATOM 1107 CA LEU A 71 -6.052 -6.122 -2.676 1.00 0.21 C ATOM 1108 C LEU A 71 -6.417 -7.575 -2.410 1.00 0.26 C ATOM 1109 O LEU A 71 -7.362 -8.118 -2.983 1.00 0.32 O ATOM 1110 CB LEU A 71 -6.832 -5.242 -1.701 1.00 0.23 C ATOM 1111 CG LEU A 71 -8.296 -5.638 -1.460 1.00 0.31 C ATOM 1112 CD1 LEU A 71 -8.859 -4.865 -0.284 1.00 1.34 C ATOM 1113 CD2 LEU A 71 -9.149 -5.406 -2.699 1.00 1.21 C ATOM 0 H LEU A 71 -7.015 -5.019 -4.197 1.00 0.19 H new ATOM 0 HA LEU A 71 -4.980 -6.006 -2.516 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.313 -5.247 -0.743 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.810 -4.217 -2.070 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.321 -6.704 -1.234 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -9.898 -5.154 -0.122 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.277 -5.088 0.610 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.808 -3.796 -0.493 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.179 -5.697 -2.492 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -9.118 -4.351 -2.970 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -8.762 -6.004 -3.524 1.00 1.21 H new ATOM 1125 N LYS A 72 -5.643 -8.177 -1.518 1.00 0.34 N ATOM 1126 CA LYS A 72 -5.878 -9.522 -1.033 1.00 0.46 C ATOM 1127 C LYS A 72 -4.909 -9.782 0.113 1.00 0.66 C ATOM 1128 O LYS A 72 -4.025 -8.961 0.366 1.00 1.33 O ATOM 1129 CB LYS A 72 -5.617 -10.542 -2.139 1.00 0.47 C ATOM 1130 CG LYS A 72 -6.641 -11.656 -2.247 1.00 0.87 C ATOM 1131 CD LYS A 72 -7.781 -11.263 -3.167 1.00 1.37 C ATOM 1132 CE LYS A 72 -8.384 -12.482 -3.838 1.00 2.01 C ATOM 1133 NZ LYS A 72 -7.333 -13.310 -4.490 1.00 2.72 N ATOM 0 H LYS A 72 -4.822 -7.734 -1.107 1.00 0.34 H new ATOM 0 HA LYS A 72 -6.913 -9.618 -0.706 1.00 0.46 H new ATOM 0 HB2 LYS A 72 -5.574 -10.016 -3.093 1.00 0.47 H new ATOM 0 HB3 LYS A 72 -4.636 -10.987 -1.976 1.00 0.47 H new ATOM 0 HG2 LYS A 72 -6.161 -12.560 -2.623 1.00 0.87 H new ATOM 0 HG3 LYS A 72 -7.033 -11.891 -1.257 1.00 0.87 H new ATOM 0 HD2 LYS A 72 -8.549 -10.740 -2.597 1.00 1.37 H new ATOM 0 HD3 LYS A 72 -7.418 -10.569 -3.925 1.00 1.37 H new ATOM 0 HE2 LYS A 72 -8.917 -13.081 -3.100 1.00 2.01 H new ATOM 0 HE3 LYS A 72 -9.116 -12.167 -4.581 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 -7.745 -13.823 -5.295 1.00 2.72 H new ATOM 0 HZ2 LYS A 72 -6.566 -12.694 -4.828 1.00 2.72 H new ATOM 0 HZ3 LYS A 72 -6.953 -13.992 -3.803 1.00 2.72 H new ATOM 1147 N GLU A 73 -5.048 -10.912 0.789 1.00 0.69 N ATOM 1148 CA GLU A 73 -4.100 -11.275 1.838 1.00 0.83 C ATOM 1149 C GLU A 73 -2.905 -12.000 1.229 1.00 0.82 C ATOM 1150 O GLU A 73 -1.832 -12.068 1.823 1.00 1.56 O ATOM 1151 CB GLU A 73 -4.754 -12.132 2.936 1.00 1.03 C ATOM 1152 CG GLU A 73 -5.454 -13.387 2.435 1.00 1.62 C ATOM 1153 CD GLU A 73 -6.781 -13.086 1.775 1.00 1.93 C ATOM 1154 OE1 GLU A 73 -7.789 -12.968 2.495 1.00 1.93 O ATOM 1155 OE2 GLU A 73 -6.817 -12.986 0.533 1.00 2.84 O ATOM 0 H GLU A 73 -5.797 -11.587 0.635 1.00 0.69 H new ATOM 0 HA GLU A 73 -3.759 -10.355 2.313 1.00 0.83 H new ATOM 0 HB2 GLU A 73 -3.988 -12.423 3.655 1.00 1.03 H new ATOM 0 HB3 GLU A 73 -5.478 -11.519 3.473 1.00 1.03 H new ATOM 0 HG2 GLU A 73 -4.807 -13.901 1.724 1.00 1.62 H new ATOM 0 HG3 GLU A 73 -5.614 -14.068 3.271 1.00 1.62 H new ATOM 1162 N MET A 74 -3.103 -12.536 0.033 1.00 0.58 N ATOM 1163 CA MET A 74 -2.029 -13.167 -0.723 1.00 0.54 C ATOM 1164 C MET A 74 -2.312 -13.067 -2.221 1.00 0.47 C ATOM 1165 O MET A 74 -2.638 -14.055 -2.878 1.00 0.61 O ATOM 1166 CB MET A 74 -1.833 -14.632 -0.298 1.00 0.62 C ATOM 1167 CG MET A 74 -3.096 -15.479 -0.336 1.00 1.44 C ATOM 1168 SD MET A 74 -2.765 -17.222 -0.022 1.00 1.93 S ATOM 1169 CE MET A 74 -1.740 -17.623 -1.435 1.00 2.96 C ATOM 0 H MET A 74 -4.007 -12.546 -0.439 1.00 0.58 H new ATOM 0 HA MET A 74 -1.101 -12.637 -0.507 1.00 0.54 H new ATOM 0 HB2 MET A 74 -1.086 -15.088 -0.948 1.00 0.62 H new ATOM 0 HB3 MET A 74 -1.429 -14.652 0.714 1.00 0.62 H new ATOM 0 HG2 MET A 74 -3.802 -15.107 0.406 1.00 1.44 H new ATOM 0 HG3 MET A 74 -3.572 -15.372 -1.311 1.00 1.44 H new ATOM 0 HE1 MET A 74 -1.784 -18.696 -1.624 1.00 2.96 H new ATOM 0 HE2 MET A 74 -2.102 -17.085 -2.311 1.00 2.96 H new ATOM 0 HE3 MET A 74 -0.709 -17.333 -1.231 1.00 2.96 H new ATOM 1179 N GLU A 75 -2.186 -11.862 -2.760 1.00 0.35 N ATOM 1180 CA GLU A 75 -2.602 -11.609 -4.124 1.00 0.33 C ATOM 1181 C GLU A 75 -1.466 -11.790 -5.136 1.00 0.30 C ATOM 1182 O GLU A 75 -1.120 -12.916 -5.487 1.00 0.49 O ATOM 1183 CB GLU A 75 -3.224 -10.214 -4.219 1.00 0.38 C ATOM 1184 CG GLU A 75 -3.893 -9.905 -5.554 1.00 0.92 C ATOM 1185 CD GLU A 75 -5.055 -10.828 -5.909 1.00 1.67 C ATOM 1186 OE1 GLU A 75 -5.071 -11.976 -5.417 1.00 2.03 O ATOM 1187 OE2 GLU A 75 -5.961 -10.416 -6.667 1.00 2.49 O ATOM 0 H GLU A 75 -1.801 -11.052 -2.274 1.00 0.35 H new ATOM 0 HA GLU A 75 -3.352 -12.355 -4.388 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -3.962 -10.105 -3.424 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.447 -9.471 -4.037 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -4.255 -8.877 -5.535 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -3.144 -9.965 -6.344 1.00 0.92 H new ATOM 1194 N THR A 76 -0.893 -10.691 -5.605 1.00 0.27 N ATOM 1195 CA THR A 76 0.063 -10.749 -6.706 1.00 0.26 C ATOM 1196 C THR A 76 1.515 -10.540 -6.253 1.00 0.17 C ATOM 1197 O THR A 76 1.753 -9.870 -5.251 1.00 0.18 O ATOM 1198 CB THR A 76 -0.306 -9.736 -7.804 1.00 0.40 C ATOM 1199 OG1 THR A 76 -0.814 -8.532 -7.213 1.00 0.49 O ATOM 1200 CG2 THR A 76 -1.343 -10.316 -8.753 1.00 0.69 C ATOM 0 H THR A 76 -1.070 -9.753 -5.245 1.00 0.27 H new ATOM 0 HA THR A 76 0.002 -11.758 -7.113 1.00 0.26 H new ATOM 0 HB THR A 76 0.596 -9.509 -8.372 1.00 0.40 H new ATOM 0 HG1 THR A 76 -1.044 -7.893 -7.919 1.00 0.49 H new ATOM 0 HG21 THR A 76 -1.587 -9.580 -9.520 1.00 0.69 H new ATOM 0 HG22 THR A 76 -0.943 -11.213 -9.225 1.00 0.69 H new ATOM 0 HG23 THR A 76 -2.244 -10.571 -8.195 1.00 0.69 H new ATOM 1208 N PRO A 77 2.485 -11.114 -7.008 1.00 0.19 N ATOM 1209 CA PRO A 77 3.933 -11.115 -6.713 1.00 0.18 C ATOM 1210 C PRO A 77 4.456 -9.973 -5.830 1.00 0.14 C ATOM 1211 O PRO A 77 4.191 -8.790 -6.069 1.00 0.16 O ATOM 1212 CB PRO A 77 4.520 -11.015 -8.113 1.00 0.30 C ATOM 1213 CG PRO A 77 3.593 -11.824 -8.965 1.00 0.36 C ATOM 1214 CD PRO A 77 2.244 -11.837 -8.271 1.00 0.28 C ATOM 0 HA PRO A 77 4.207 -11.991 -6.124 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.568 -9.980 -8.451 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.536 -11.409 -8.147 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.509 -11.390 -9.962 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.972 -12.839 -9.090 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.481 -11.345 -8.873 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.899 -12.855 -8.089 1.00 0.28 H new ATOM 1222 N LEU A 78 5.230 -10.373 -4.827 1.00 0.14 N ATOM 1223 CA LEU A 78 5.822 -9.479 -3.832 1.00 0.15 C ATOM 1224 C LEU A 78 6.844 -8.521 -4.438 1.00 0.16 C ATOM 1225 O LEU A 78 6.956 -7.374 -4.026 1.00 0.16 O ATOM 1226 CB LEU A 78 6.474 -10.302 -2.721 1.00 0.19 C ATOM 1227 CG LEU A 78 5.507 -11.168 -1.925 1.00 0.19 C ATOM 1228 CD1 LEU A 78 5.227 -12.484 -2.643 1.00 0.22 C ATOM 1229 CD2 LEU A 78 6.035 -11.429 -0.526 1.00 0.24 C ATOM 0 H LEU A 78 5.471 -11.353 -4.678 1.00 0.14 H new ATOM 0 HA LEU A 78 5.016 -8.870 -3.423 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.237 -10.943 -3.162 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.983 -9.625 -2.036 1.00 0.19 H new ATOM 0 HG LEU A 78 4.568 -10.621 -1.841 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.534 -13.081 -2.051 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.788 -12.279 -3.619 1.00 0.22 H new ATOM 0 HD13 LEU A 78 6.160 -13.033 -2.773 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.325 -12.050 0.021 1.00 0.24 H new ATOM 0 HD22 LEU A 78 6.994 -11.944 -0.589 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.166 -10.481 -0.004 1.00 0.24 H new ATOM 1241 N SER A 79 7.607 -9.002 -5.399 1.00 0.18 N ATOM 1242 CA SER A 79 8.546 -8.144 -6.121 1.00 0.22 C ATOM 1243 C SER A 79 7.798 -6.979 -6.765 1.00 0.22 C ATOM 1244 O SER A 79 8.267 -5.843 -6.794 1.00 0.24 O ATOM 1245 CB SER A 79 9.272 -8.951 -7.195 1.00 0.27 C ATOM 1246 OG SER A 79 9.806 -10.154 -6.660 1.00 1.17 O ATOM 0 H SER A 79 7.601 -9.976 -5.702 1.00 0.18 H new ATOM 0 HA SER A 79 9.279 -7.751 -5.416 1.00 0.22 H new ATOM 0 HB2 SER A 79 8.582 -9.185 -8.006 1.00 0.27 H new ATOM 0 HB3 SER A 79 10.076 -8.352 -7.623 1.00 0.27 H new ATOM 0 HG SER A 79 10.658 -9.964 -6.215 1.00 1.17 H new ATOM 1252 N ALA A 80 6.614 -7.288 -7.259 1.00 0.20 N ATOM 1253 CA ALA A 80 5.742 -6.316 -7.893 1.00 0.22 C ATOM 1254 C ALA A 80 4.990 -5.480 -6.857 1.00 0.18 C ATOM 1255 O ALA A 80 4.200 -4.609 -7.215 1.00 0.19 O ATOM 1256 CB ALA A 80 4.765 -7.015 -8.821 1.00 0.27 C ATOM 0 H ALA A 80 6.226 -8.231 -7.231 1.00 0.20 H new ATOM 0 HA ALA A 80 6.364 -5.638 -8.478 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.116 -6.275 -9.290 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.317 -7.554 -9.591 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.159 -7.718 -8.249 1.00 0.27 H new ATOM 1262 N LEU A 81 5.227 -5.753 -5.572 1.00 0.14 N ATOM 1263 CA LEU A 81 4.388 -5.239 -4.492 1.00 0.13 C ATOM 1264 C LEU A 81 4.573 -3.732 -4.233 1.00 0.12 C ATOM 1265 O LEU A 81 4.213 -3.249 -3.165 1.00 0.11 O ATOM 1266 CB LEU A 81 4.627 -6.022 -3.196 1.00 0.13 C ATOM 1267 CG LEU A 81 3.366 -6.562 -2.502 1.00 0.15 C ATOM 1268 CD1 LEU A 81 2.287 -5.497 -2.401 1.00 0.16 C ATOM 1269 CD2 LEU A 81 2.836 -7.780 -3.235 1.00 0.19 C ATOM 0 H LEU A 81 6.003 -6.334 -5.254 1.00 0.14 H new ATOM 0 HA LEU A 81 3.359 -5.379 -4.824 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.286 -6.862 -3.417 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.157 -5.377 -2.496 1.00 0.13 H new ATOM 0 HG LEU A 81 3.645 -6.853 -1.489 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.410 -5.913 -1.905 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.663 -4.652 -1.824 1.00 0.16 H new ATOM 0 HD13 LEU A 81 2.013 -5.161 -3.401 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.943 -8.149 -2.730 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.586 -7.507 -4.260 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.597 -8.560 -3.242 1.00 0.19 H new ATOM 1281 N GLY A 82 5.108 -2.966 -5.187 1.00 0.12 N ATOM 1282 CA GLY A 82 5.289 -1.547 -4.917 1.00 0.12 C ATOM 1283 C GLY A 82 6.701 -1.149 -4.574 1.00 0.11 C ATOM 1284 O GLY A 82 6.887 -0.327 -3.681 1.00 0.12 O ATOM 0 H GLY A 82 5.409 -3.287 -6.107 1.00 0.12 H new ATOM 0 HA2 GLY A 82 4.968 -0.980 -5.791 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.635 -1.261 -4.094 1.00 0.12 H new ATOM 1288 N MET A 83 7.711 -1.742 -5.229 1.00 0.13 N ATOM 1289 CA MET A 83 9.087 -1.328 -4.950 1.00 0.15 C ATOM 1290 C MET A 83 9.337 0.112 -5.415 1.00 0.15 C ATOM 1291 O MET A 83 9.826 0.383 -6.513 1.00 0.19 O ATOM 1292 CB MET A 83 10.081 -2.283 -5.622 1.00 0.20 C ATOM 1293 CG MET A 83 9.791 -2.583 -7.085 1.00 0.49 C ATOM 1294 SD MET A 83 10.937 -3.798 -7.768 1.00 0.97 S ATOM 1295 CE MET A 83 10.282 -3.998 -9.420 1.00 1.79 C ATOM 0 H MET A 83 7.606 -2.479 -5.926 1.00 0.13 H new ATOM 0 HA MET A 83 9.236 -1.367 -3.871 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.081 -1.857 -5.545 1.00 0.20 H new ATOM 0 HB3 MET A 83 10.091 -3.222 -5.069 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.770 -2.952 -7.184 1.00 0.49 H new ATOM 0 HG3 MET A 83 9.854 -1.661 -7.663 1.00 0.49 H new ATOM 0 HE1 MET A 83 10.887 -4.721 -9.966 1.00 1.79 H new ATOM 0 HE2 MET A 83 9.254 -4.355 -9.363 1.00 1.79 H new ATOM 0 HE3 MET A 83 10.305 -3.040 -9.939 1.00 1.79 H new ATOM 1305 N GLN A 84 8.961 1.003 -4.526 1.00 0.14 N ATOM 1306 CA GLN A 84 9.258 2.416 -4.515 1.00 0.15 C ATOM 1307 C GLN A 84 8.842 2.814 -3.127 1.00 0.16 C ATOM 1308 O GLN A 84 8.376 1.927 -2.424 1.00 0.16 O ATOM 1309 CB GLN A 84 8.523 3.210 -5.603 1.00 0.16 C ATOM 1310 CG GLN A 84 7.092 2.777 -5.862 1.00 0.61 C ATOM 1311 CD GLN A 84 6.498 3.470 -7.074 1.00 1.08 C ATOM 1312 OE1 GLN A 84 5.298 3.740 -7.131 1.00 1.79 O ATOM 1313 NE2 GLN A 84 7.331 3.747 -8.065 1.00 1.61 N ATOM 0 H GLN A 84 8.391 0.734 -3.724 1.00 0.14 H new ATOM 0 HA GLN A 84 10.303 2.629 -4.740 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.522 4.264 -5.324 1.00 0.16 H new ATOM 0 HB3 GLN A 84 9.085 3.127 -6.533 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.061 1.698 -6.011 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.483 2.996 -4.985 1.00 0.61 H new ATOM 0 HE21 GLN A 84 8.319 3.509 -7.982 1.00 1.61 H new ATOM 0 HE22 GLN A 84 6.985 4.199 -8.911 1.00 1.61 H new ATOM 1322 N ASN A 85 9.005 4.048 -2.665 1.00 0.17 N ATOM 1323 CA ASN A 85 8.457 4.335 -1.337 1.00 0.17 C ATOM 1324 C ASN A 85 6.971 4.022 -1.379 1.00 0.16 C ATOM 1325 O ASN A 85 6.198 4.771 -1.936 1.00 0.18 O ATOM 1326 CB ASN A 85 8.657 5.810 -0.922 1.00 0.19 C ATOM 1327 CG ASN A 85 8.152 6.788 -1.968 1.00 0.28 C ATOM 1328 OD1 ASN A 85 8.119 6.483 -3.158 1.00 1.22 O ATOM 1329 ND2 ASN A 85 7.762 7.973 -1.538 1.00 0.99 N ATOM 0 H ASN A 85 9.474 4.817 -3.143 1.00 0.17 H new ATOM 0 HA ASN A 85 8.981 3.725 -0.602 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.138 5.992 0.019 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.717 5.992 -0.742 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.420 8.669 -2.201 1.00 0.99 H new ATOM 0 HD22 ASN A 85 7.803 8.193 -0.543 1.00 0.99 H new ATOM 1336 N GLY A 86 6.607 2.917 -0.748 1.00 0.15 N ATOM 1337 CA GLY A 86 5.236 2.446 -0.639 1.00 0.14 C ATOM 1338 C GLY A 86 4.469 2.263 -1.961 1.00 0.12 C ATOM 1339 O GLY A 86 3.599 1.393 -2.039 1.00 0.13 O ATOM 0 H GLY A 86 7.278 2.305 -0.284 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.243 1.491 -0.113 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.682 3.148 -0.017 1.00 0.14 H new ATOM 1343 N CYS A 87 4.824 3.036 -2.997 1.00 0.11 N ATOM 1344 CA CYS A 87 4.071 3.112 -4.247 1.00 0.12 C ATOM 1345 C CYS A 87 2.740 3.824 -4.015 1.00 0.12 C ATOM 1346 O CYS A 87 2.649 4.740 -3.199 1.00 0.17 O ATOM 1347 CB CYS A 87 3.829 1.723 -4.797 1.00 0.23 C ATOM 1348 SG CYS A 87 3.331 1.662 -6.536 1.00 0.94 S ATOM 0 H CYS A 87 5.652 3.631 -2.986 1.00 0.11 H new ATOM 0 HA CYS A 87 4.653 3.680 -4.973 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.740 1.137 -4.675 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.057 1.241 -4.197 1.00 0.23 H new ATOM 0 HG CYS A 87 3.937 2.605 -7.194 1.00 0.94 H new ATOM 1354 N ARG A 88 1.714 3.421 -4.750 1.00 0.12 N ATOM 1355 CA ARG A 88 0.372 3.941 -4.546 1.00 0.13 C ATOM 1356 C ARG A 88 -0.592 2.770 -4.415 1.00 0.12 C ATOM 1357 O ARG A 88 -0.319 1.691 -4.937 1.00 0.15 O ATOM 1358 CB ARG A 88 -0.077 4.847 -5.704 1.00 0.19 C ATOM 1359 CG ARG A 88 0.908 5.944 -6.089 1.00 0.82 C ATOM 1360 CD ARG A 88 1.970 5.430 -7.051 1.00 0.41 C ATOM 1361 NE ARG A 88 1.906 6.089 -8.354 1.00 0.90 N ATOM 1362 CZ ARG A 88 2.936 6.183 -9.190 1.00 1.29 C ATOM 1363 NH1 ARG A 88 4.107 5.645 -8.872 1.00 1.26 N ATOM 1364 NH2 ARG A 88 2.793 6.804 -10.349 1.00 2.07 N ATOM 0 H ARG A 88 1.787 2.731 -5.498 1.00 0.12 H new ATOM 0 HA ARG A 88 0.374 4.545 -3.639 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.264 4.225 -6.579 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -1.026 5.311 -5.434 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.369 6.772 -6.549 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.387 6.335 -5.192 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.957 5.586 -6.616 1.00 0.41 H new ATOM 0 HD3 ARG A 88 1.847 4.355 -7.184 1.00 0.41 H new ATOM 0 HE ARG A 88 1.018 6.502 -8.639 1.00 0.90 H new ATOM 0 HH11 ARG A 88 4.220 5.157 -7.983 1.00 1.26 H new ATOM 0 HH12 ARG A 88 4.894 5.720 -9.516 1.00 1.26 H new ATOM 0 HH21 ARG A 88 1.893 7.211 -10.602 1.00 2.07 H new ATOM 0 HH22 ARG A 88 3.583 6.876 -10.990 1.00 2.07 H new ATOM 1378 N VAL A 89 -1.678 2.978 -3.678 1.00 0.11 N ATOM 1379 CA VAL A 89 -2.758 2.000 -3.518 1.00 0.11 C ATOM 1380 C VAL A 89 -4.063 2.728 -3.265 1.00 0.11 C ATOM 1381 O VAL A 89 -4.230 3.393 -2.242 1.00 0.12 O ATOM 1382 CB VAL A 89 -2.511 0.999 -2.363 1.00 0.13 C ATOM 1383 CG1 VAL A 89 -1.474 -0.038 -2.741 1.00 0.20 C ATOM 1384 CG2 VAL A 89 -2.099 1.718 -1.095 1.00 0.18 C ATOM 0 H VAL A 89 -1.839 3.845 -3.165 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.799 1.424 -4.442 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.453 0.483 -2.176 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.325 -0.724 -1.907 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.817 -0.595 -3.613 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.532 0.458 -2.975 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.932 0.990 -0.301 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.180 2.275 -1.275 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.888 2.407 -0.795 1.00 0.18 H new ATOM 1394 N MET A 90 -4.984 2.662 -4.201 1.00 0.11 N ATOM 1395 CA MET A 90 -6.252 3.319 -3.966 1.00 0.12 C ATOM 1396 C MET A 90 -7.414 2.372 -4.038 1.00 0.12 C ATOM 1397 O MET A 90 -7.545 1.568 -4.956 1.00 0.13 O ATOM 1398 CB MET A 90 -6.465 4.539 -4.838 1.00 0.16 C ATOM 1399 CG MET A 90 -7.482 4.369 -5.955 1.00 0.68 C ATOM 1400 SD MET A 90 -7.631 5.840 -6.992 1.00 1.30 S ATOM 1401 CE MET A 90 -9.041 5.400 -8.006 1.00 1.92 C ATOM 0 H MET A 90 -4.889 2.182 -5.096 1.00 0.11 H new ATOM 0 HA MET A 90 -6.201 3.684 -2.940 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.781 5.368 -4.204 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.509 4.821 -5.279 1.00 0.16 H new ATOM 0 HG2 MET A 90 -7.196 3.520 -6.575 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.455 4.134 -5.523 1.00 0.68 H new ATOM 0 HE1 MET A 90 -9.076 6.048 -8.881 1.00 1.92 H new ATOM 0 HE2 MET A 90 -8.949 4.362 -8.327 1.00 1.92 H new ATOM 0 HE3 MET A 90 -9.957 5.521 -7.428 1.00 1.92 H new ATOM 1411 N LEU A 91 -8.242 2.469 -3.041 1.00 0.12 N ATOM 1412 CA LEU A 91 -9.383 1.614 -2.927 1.00 0.12 C ATOM 1413 C LEU A 91 -10.629 2.368 -3.303 1.00 0.14 C ATOM 1414 O LEU A 91 -10.861 3.493 -2.850 1.00 0.15 O ATOM 1415 CB LEU A 91 -9.495 0.989 -1.523 1.00 0.11 C ATOM 1416 CG LEU A 91 -9.717 1.906 -0.291 1.00 0.12 C ATOM 1417 CD1 LEU A 91 -8.854 3.153 -0.317 1.00 0.15 C ATOM 1418 CD2 LEU A 91 -11.189 2.274 -0.124 1.00 0.14 C ATOM 0 H LEU A 91 -8.144 3.145 -2.283 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.259 0.784 -3.623 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.317 0.273 -1.549 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.582 0.420 -1.346 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.405 1.323 0.576 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.055 3.753 0.570 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.802 2.867 -0.331 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -9.084 3.736 -1.209 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.307 2.917 0.748 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.535 2.802 -1.013 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.778 1.367 0.012 1.00 0.14 H new ATOM 1430 N ILE A 92 -11.411 1.777 -4.166 1.00 0.18 N ATOM 1431 CA ILE A 92 -12.682 2.349 -4.484 1.00 0.23 C ATOM 1432 C ILE A 92 -13.763 1.553 -3.804 1.00 0.23 C ATOM 1433 O ILE A 92 -13.983 0.375 -4.091 1.00 0.26 O ATOM 1434 CB ILE A 92 -12.941 2.433 -6.005 1.00 0.31 C ATOM 1435 CG1 ILE A 92 -11.857 3.280 -6.683 1.00 0.42 C ATOM 1436 CG2 ILE A 92 -14.324 3.013 -6.281 1.00 0.37 C ATOM 1437 CD1 ILE A 92 -12.029 3.406 -8.182 1.00 0.51 C ATOM 0 H ILE A 92 -11.190 0.909 -4.654 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.686 3.376 -4.120 1.00 0.23 H new ATOM 0 HB ILE A 92 -12.904 1.426 -6.419 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -11.858 4.277 -6.241 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.882 2.840 -6.474 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -14.489 3.065 -7.357 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -15.083 2.375 -5.828 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -14.390 4.014 -5.855 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -11.225 4.019 -8.590 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.997 2.416 -8.636 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -12.989 3.874 -8.400 1.00 0.51 H new ATOM 1449 N GLY A 93 -14.395 2.209 -2.872 1.00 0.24 N ATOM 1450 CA GLY A 93 -15.432 1.596 -2.094 1.00 0.28 C ATOM 1451 C GLY A 93 -15.726 2.428 -0.885 1.00 0.30 C ATOM 1452 O GLY A 93 -16.116 3.586 -1.015 1.00 0.45 O ATOM 0 H GLY A 93 -14.206 3.182 -2.631 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.333 1.485 -2.697 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.127 0.595 -1.791 1.00 0.28 H new ATOM 1456 N GLU A 94 -15.493 1.873 0.283 1.00 0.25 N ATOM 1457 CA GLU A 94 -15.740 2.588 1.514 1.00 0.26 C ATOM 1458 C GLU A 94 -14.508 2.571 2.411 1.00 0.24 C ATOM 1459 O GLU A 94 -14.109 1.526 2.916 1.00 0.35 O ATOM 1460 CB GLU A 94 -16.924 1.957 2.246 1.00 0.32 C ATOM 1461 CG GLU A 94 -18.234 2.006 1.472 1.00 0.98 C ATOM 1462 CD GLU A 94 -18.707 3.420 1.212 1.00 1.53 C ATOM 1463 OE1 GLU A 94 -19.056 4.120 2.181 1.00 2.17 O ATOM 1464 OE2 GLU A 94 -18.727 3.847 0.041 1.00 2.02 O ATOM 0 H GLU A 94 -15.132 0.927 0.406 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.971 3.625 1.271 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -16.686 0.917 2.470 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -17.060 2.466 3.200 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -18.109 1.489 0.521 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -19.001 1.468 2.029 1.00 0.98 H new ATOM 1471 N LYS A 95 -13.906 3.738 2.607 1.00 0.25 N ATOM 1472 CA LYS A 95 -12.852 3.893 3.603 1.00 0.26 C ATOM 1473 C LYS A 95 -13.495 4.160 4.954 1.00 0.39 C ATOM 1474 O LYS A 95 -13.214 5.166 5.601 1.00 0.48 O ATOM 1475 CB LYS A 95 -11.908 5.051 3.254 1.00 0.28 C ATOM 1476 CG LYS A 95 -10.584 4.638 2.619 1.00 0.27 C ATOM 1477 CD LYS A 95 -9.596 5.795 2.643 1.00 0.55 C ATOM 1478 CE LYS A 95 -8.266 5.450 1.985 1.00 0.35 C ATOM 1479 NZ LYS A 95 -7.328 6.605 2.032 1.00 1.19 N ATOM 0 H LYS A 95 -14.129 4.589 2.091 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.262 2.977 3.627 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.424 5.727 2.573 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.697 5.614 4.163 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.167 3.785 3.155 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -10.752 4.317 1.591 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -10.036 6.653 2.134 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.418 6.094 3.676 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.819 4.594 2.490 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.435 5.157 0.949 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.661 6.543 1.236 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.866 7.492 1.964 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -6.800 6.588 2.928 1.00 1.19 H new ATOM 1493 N SER A 96 -14.380 3.263 5.354 1.00 0.46 N ATOM 1494 CA SER A 96 -15.137 3.440 6.586 1.00 0.65 C ATOM 1495 C SER A 96 -14.210 3.500 7.800 1.00 0.80 C ATOM 1496 O SER A 96 -13.283 2.699 7.933 1.00 0.99 O ATOM 1497 CB SER A 96 -16.154 2.311 6.747 1.00 0.74 C ATOM 1498 OG SER A 96 -17.072 2.288 5.664 1.00 1.30 O ATOM 0 H SER A 96 -14.593 2.405 4.846 1.00 0.46 H new ATOM 0 HA SER A 96 -15.669 4.389 6.524 1.00 0.65 H new ATOM 0 HB2 SER A 96 -15.634 1.355 6.806 1.00 0.74 H new ATOM 0 HB3 SER A 96 -16.696 2.437 7.684 1.00 0.74 H new ATOM 0 HG SER A 96 -17.334 1.362 5.477 1.00 1.30 H new ATOM 1504 N ASN A 97 -14.452 4.467 8.673 1.00 1.03 N ATOM 1505 CA ASN A 97 -13.667 4.610 9.890 1.00 1.27 C ATOM 1506 C ASN A 97 -14.550 4.345 11.102 1.00 1.85 C ATOM 1507 O ASN A 97 -15.246 5.281 11.545 1.00 2.21 O ATOM 1508 CB ASN A 97 -13.054 6.014 9.980 1.00 1.62 C ATOM 1509 CG ASN A 97 -12.033 6.145 11.101 1.00 1.97 C ATOM 1510 OD1 ASN A 97 -12.083 5.427 12.101 1.00 2.51 O ATOM 1511 ND2 ASN A 97 -11.108 7.078 10.950 1.00 2.63 N ATOM 1512 OXT ASN A 97 -14.559 3.201 11.600 1.00 2.58 O ATOM 0 H ASN A 97 -15.187 5.165 8.561 1.00 1.03 H new ATOM 0 HA ASN A 97 -12.854 3.884 9.869 1.00 1.27 H new ATOM 0 HB2 ASN A 97 -12.577 6.258 9.031 1.00 1.62 H new ATOM 0 HB3 ASN A 97 -13.850 6.743 10.133 1.00 1.62 H new ATOM 0 HD21 ASN A 97 -10.405 7.221 11.675 1.00 2.63 H new ATOM 0 HD22 ASN A 97 -11.097 7.654 10.108 1.00 2.63 H new TER 1519 ASN A 97