USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 844 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: B 49 THR OG1 : rot -84:sc= 2.24 USER MOD Set 1.2: B 51 THR OG1 : rot 112:sc= 1.17 USER MOD Set 2.1: B 44 THR OG1 : rot 47:sc= 1.77 USER MOD Set 2.2: B 53 THR OG1 : rot 107:sc= 1.91 USER MOD Set 3.1: A 49 THR OG1 : rot -82:sc= 2.25 USER MOD Set 3.2: A 51 THR OG1 : rot 114:sc= 1.16 USER MOD Set 4.1: A 44 THR OG1 : rot 53:sc= 1.89 USER MOD Set 4.2: A 53 THR OG1 : rot 107:sc= 1.89 USER MOD Single : A 1 MET CE :methyl -132:sc= -9.88! (180deg=-16.6!) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0.142 (180deg=0.112) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot -40:sc= -2.35 USER MOD Single : A 4 LYS NZ :NH3+ 179:sc= -1.04 (180deg=-1.06) USER MOD Single : A 8 ASN : amide:sc= -4.78! C(o=-4.8!,f=-9!) USER MOD Single : A 10 LYS NZ :NH3+ -155:sc= -1.69 (180deg=-2.58) USER MOD Single : A 11 THR OG1 : rot -140:sc= -3.61! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -161:sc= -5.12! USER MOD Single : A 17 THR OG1 : rot 36:sc= 0.414 USER MOD Single : A 18 THR OG1 : rot 40:sc= 0.279 USER MOD Single : A 25 THR OG1 : rot -40:sc= -1.68! USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0455 (180deg=-0.275) USER MOD Single : A 31 LYS NZ :NH3+ -174:sc= -1.9 (180deg=-2.01) USER MOD Single : A 32 GLN : amide:sc= -8.32! C(o=-8.3!,f=-17!) USER MOD Single : A 35 ASN : amide:sc= -4.29! C(o=-4.3!,f=-4.4!) USER MOD Single : A 37 ASN : amide:sc= -7.07! C(o=-7.1!,f=-7!) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.93 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -130:sc= -9.94! (180deg=-16.6!) USER MOD Single : B 1 MET N :NH3+ 170:sc= 0.137 (180deg=0.111) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= -2.29 USER MOD Single : B 4 LYS NZ :NH3+ 178:sc= -1.05 (180deg=-1.05) USER MOD Single : B 8 ASN : amide:sc= -4.8! C(o=-4.8!,f=-9.7!) USER MOD Single : B 10 LYS NZ :NH3+ -153:sc= -1.73 (180deg=-2.57) USER MOD Single : B 11 THR OG1 : rot -140:sc= -3.6! USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 160:sc= -5.16! USER MOD Single : B 17 THR OG1 : rot 36:sc= 0.412 USER MOD Single : B 18 THR OG1 : rot 36:sc= 0.259 USER MOD Single : B 25 THR OG1 : rot -39:sc= -1.65! USER MOD Single : B 28 LYS NZ :NH3+ -167:sc= -0.0456 (180deg=-0.276) USER MOD Single : B 31 LYS NZ :NH3+ -170:sc= -1.91 (180deg=-2.04) USER MOD Single : B 32 GLN : amide:sc= -7.87! C(o=-7.9!,f=-17!) USER MOD Single : B 35 ASN : amide:sc= -4.33! C(o=-4.3!,f=-4.5!) USER MOD Single : B 37 ASN : amide:sc= -7.1! C(o=-7.1!,f=-7.2!) USER MOD Single : B 45 TYR OH : rot 180:sc= -1.91 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.205 -18.598 1.726 1.00 0.00 N ATOM 2 CA MET A 1 7.178 -17.782 0.952 1.00 0.00 C ATOM 3 C MET A 1 6.871 -16.293 1.106 1.00 0.00 C ATOM 4 O MET A 1 5.763 -15.915 1.485 1.00 0.00 O ATOM 5 CB MET A 1 7.079 -18.178 -0.525 1.00 0.00 C ATOM 6 CG MET A 1 8.354 -17.927 -1.320 1.00 0.00 C ATOM 7 SD MET A 1 8.026 -17.525 -3.042 1.00 0.00 S ATOM 8 CE MET A 1 7.233 -15.937 -2.839 1.00 0.00 C ATOM 0 H1 MET A 1 6.319 -19.602 1.479 1.00 0.00 H new ATOM 0 H2 MET A 1 6.377 -18.470 2.744 1.00 0.00 H new ATOM 0 H3 MET A 1 5.237 -18.293 1.498 1.00 0.00 H new ATOM 0 HA MET A 1 8.185 -17.965 1.327 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.824 -19.236 -0.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.261 -17.624 -0.985 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.910 -17.111 -0.860 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.988 -18.812 -1.272 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.318 -15.909 -3.431 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.990 -15.783 -1.788 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.906 -15.148 -3.175 1.00 0.00 H new ATOM 20 N GLN A 2 7.851 -15.454 0.792 1.00 0.00 N ATOM 21 CA GLN A 2 7.680 -14.010 0.877 1.00 0.00 C ATOM 22 C GLN A 2 7.380 -13.439 -0.506 1.00 0.00 C ATOM 23 O GLN A 2 8.066 -13.752 -1.476 1.00 0.00 O ATOM 24 CB GLN A 2 8.938 -13.355 1.453 1.00 0.00 C ATOM 25 CG GLN A 2 8.840 -11.843 1.563 1.00 0.00 C ATOM 26 CD GLN A 2 10.097 -11.218 2.138 1.00 0.00 C ATOM 27 OE1 GLN A 2 11.182 -11.345 1.571 1.00 0.00 O ATOM 28 NE2 GLN A 2 9.955 -10.537 3.268 1.00 0.00 N ATOM 0 H GLN A 2 8.774 -15.751 0.476 1.00 0.00 H new ATOM 0 HA GLN A 2 6.842 -13.796 1.541 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.134 -13.771 2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.791 -13.611 0.824 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.648 -11.422 0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.989 -11.582 2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.036 -10.458 3.704 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.765 -10.093 3.701 1.00 0.00 H new ATOM 37 N TYR A 3 6.360 -12.594 -0.589 1.00 0.00 N ATOM 38 CA TYR A 3 5.984 -11.982 -1.858 1.00 0.00 C ATOM 39 C TYR A 3 6.184 -10.475 -1.811 1.00 0.00 C ATOM 40 O TYR A 3 5.968 -9.842 -0.778 1.00 0.00 O ATOM 41 CB TYR A 3 4.530 -12.316 -2.206 1.00 0.00 C ATOM 42 CG TYR A 3 4.310 -13.774 -2.548 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.189 -14.733 -1.549 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.232 -14.192 -3.871 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.995 -16.068 -1.862 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.038 -15.521 -4.192 1.00 0.00 C ATOM 47 CZ TYR A 3 3.920 -16.456 -3.184 1.00 0.00 C ATOM 48 OH TYR A 3 3.728 -17.783 -3.498 1.00 0.00 O ATOM 0 H TYR A 3 5.780 -12.317 0.203 1.00 0.00 H new ATOM 0 HA TYR A 3 6.630 -12.389 -2.636 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.893 -12.049 -1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.217 -11.702 -3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.247 -14.432 -0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.325 -13.464 -4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.903 -16.802 -1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 3 3.979 -15.827 -5.226 1.00 0.00 H new ATOM 0 HH TYR A 3 4.259 -18.342 -2.893 1.00 0.00 H new ATOM 58 N LYS A 4 6.604 -9.905 -2.934 1.00 0.00 N ATOM 59 CA LYS A 4 6.837 -8.469 -3.013 1.00 0.00 C ATOM 60 C LYS A 4 5.695 -7.783 -3.750 1.00 0.00 C ATOM 61 O LYS A 4 5.580 -7.884 -4.968 1.00 0.00 O ATOM 62 CB LYS A 4 8.164 -8.184 -3.719 1.00 0.00 C ATOM 63 CG LYS A 4 8.528 -6.708 -3.755 1.00 0.00 C ATOM 64 CD LYS A 4 9.851 -6.480 -4.469 1.00 0.00 C ATOM 65 CE LYS A 4 10.221 -5.005 -4.498 1.00 0.00 C ATOM 66 NZ LYS A 4 10.364 -4.439 -3.128 1.00 0.00 N ATOM 0 H LYS A 4 6.789 -10.413 -3.799 1.00 0.00 H new ATOM 0 HA LYS A 4 6.886 -8.072 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.959 -8.734 -3.216 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.112 -8.562 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.740 -6.150 -4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.591 -6.322 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.638 -7.044 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.786 -6.860 -5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.156 -4.876 -5.043 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.456 -4.450 -5.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.633 -3.437 -3.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.459 -4.523 -2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.100 -4.962 -2.611 1.00 0.00 H new ATOM 80 N VAL A 5 4.849 -7.086 -3.003 1.00 0.00 N ATOM 81 CA VAL A 5 3.719 -6.392 -3.598 1.00 0.00 C ATOM 82 C VAL A 5 4.070 -4.937 -3.888 1.00 0.00 C ATOM 83 O VAL A 5 4.290 -4.140 -2.979 1.00 0.00 O ATOM 84 CB VAL A 5 2.472 -6.467 -2.693 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.305 -5.711 -3.315 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.091 -7.918 -2.427 1.00 0.00 C ATOM 0 H VAL A 5 4.924 -6.987 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 5 3.486 -6.892 -4.538 1.00 0.00 H new ATOM 0 HB VAL A 5 2.713 -5.994 -1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.437 -5.778 -2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.579 -4.665 -3.448 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.063 -6.149 -4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.209 -7.951 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.873 -8.416 -3.372 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.918 -8.426 -1.932 1.00 0.00 H new ATOM 96 N ILE A 6 4.128 -4.612 -5.171 1.00 0.00 N ATOM 97 CA ILE A 6 4.456 -3.267 -5.615 1.00 0.00 C ATOM 98 C ILE A 6 3.186 -2.456 -5.873 1.00 0.00 C ATOM 99 O ILE A 6 2.291 -2.897 -6.595 1.00 0.00 O ATOM 100 CB ILE A 6 5.323 -3.306 -6.892 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.631 -4.055 -6.620 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.612 -1.904 -7.401 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.577 -4.069 -7.802 1.00 0.00 C ATOM 0 H ILE A 6 3.950 -5.270 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 6 5.025 -2.784 -4.821 1.00 0.00 H new ATOM 0 HB ILE A 6 4.766 -3.836 -7.665 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.133 -3.595 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.400 -5.082 -6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.224 -1.963 -8.301 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.674 -1.400 -7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.146 -1.342 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.482 -4.616 -7.537 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.093 -4.555 -8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.838 -3.046 -8.071 1.00 0.00 H new ATOM 115 N LEU A 7 3.113 -1.275 -5.270 1.00 0.00 N ATOM 116 CA LEU A 7 1.954 -0.400 -5.420 1.00 0.00 C ATOM 117 C LEU A 7 2.319 0.817 -6.273 1.00 0.00 C ATOM 118 O LEU A 7 2.967 1.746 -5.794 1.00 0.00 O ATOM 119 CB LEU A 7 1.468 0.039 -4.036 1.00 0.00 C ATOM 120 CG LEU A 7 1.500 -1.052 -2.969 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.009 -0.502 -1.639 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.668 -2.245 -3.412 1.00 0.00 C ATOM 0 H LEU A 7 3.847 -0.899 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 7 1.153 -0.941 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.082 0.875 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.447 0.409 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 7 2.528 -1.389 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.037 -1.290 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.652 0.321 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.014 -0.142 -1.750 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.699 -3.016 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.364 -1.931 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.071 -2.645 -4.342 1.00 0.00 H new ATOM 134 N ASN A 8 1.926 0.792 -7.549 1.00 0.00 N ATOM 135 CA ASN A 8 2.246 1.883 -8.471 1.00 0.00 C ATOM 136 C ASN A 8 1.055 2.784 -8.777 1.00 0.00 C ATOM 137 O ASN A 8 0.131 2.396 -9.496 1.00 0.00 O ATOM 138 CB ASN A 8 2.785 1.321 -9.787 1.00 0.00 C ATOM 139 CG ASN A 8 4.209 0.830 -9.672 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.532 0.029 -8.801 1.00 0.00 O ATOM 141 ND2 ASN A 8 5.069 1.307 -10.563 1.00 0.00 N ATOM 0 H ASN A 8 1.388 0.032 -7.965 1.00 0.00 H new ATOM 0 HA ASN A 8 2.999 2.490 -7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.147 0.500 -10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.732 2.092 -10.555 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.044 1.009 -10.541 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.755 1.972 -11.270 1.00 0.00 H new ATOM 148 N GLY A 9 1.097 4.000 -8.251 1.00 0.00 N ATOM 149 CA GLY A 9 0.036 4.946 -8.504 1.00 0.00 C ATOM 150 C GLY A 9 0.526 6.137 -9.297 1.00 0.00 C ATOM 151 O GLY A 9 1.689 6.182 -9.698 1.00 0.00 O ATOM 0 H GLY A 9 1.848 4.346 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.769 4.453 -9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.382 5.287 -7.557 1.00 0.00 H new ATOM 155 N LYS A 10 -0.349 7.109 -9.521 1.00 0.00 N ATOM 156 CA LYS A 10 0.031 8.299 -10.264 1.00 0.00 C ATOM 157 C LYS A 10 0.860 9.229 -9.386 1.00 0.00 C ATOM 158 O LYS A 10 1.930 9.692 -9.783 1.00 0.00 O ATOM 159 CB LYS A 10 -1.201 9.044 -10.784 1.00 0.00 C ATOM 160 CG LYS A 10 -1.952 8.316 -11.890 1.00 0.00 C ATOM 161 CD LYS A 10 -2.585 7.026 -11.397 1.00 0.00 C ATOM 162 CE LYS A 10 -3.410 6.366 -12.491 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.056 5.111 -12.022 1.00 0.00 N ATOM 0 H LYS A 10 -1.318 7.096 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 10 0.628 7.981 -11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.883 9.219 -9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.891 10.021 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.727 8.969 -12.292 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.266 8.094 -12.708 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.807 6.341 -11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.219 7.235 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.176 7.061 -12.836 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.770 6.147 -13.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.238 4.489 -12.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.427 4.627 -11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.955 5.338 -11.552 1.00 0.00 H new ATOM 177 N THR A 11 0.343 9.509 -8.194 1.00 0.00 N ATOM 178 CA THR A 11 1.002 10.392 -7.249 1.00 0.00 C ATOM 179 C THR A 11 1.617 9.614 -6.094 1.00 0.00 C ATOM 180 O THR A 11 2.180 10.202 -5.172 1.00 0.00 O ATOM 181 CB THR A 11 -0.018 11.385 -6.705 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.225 10.723 -6.376 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.353 12.500 -7.668 1.00 0.00 C ATOM 0 H THR A 11 -0.543 9.129 -7.860 1.00 0.00 H new ATOM 0 HA THR A 11 1.806 10.915 -7.768 1.00 0.00 H new ATOM 0 HB THR A 11 0.450 11.826 -5.825 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.986 11.280 -6.641 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.085 13.167 -7.212 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.551 13.061 -7.904 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.768 12.078 -8.583 1.00 0.00 H new ATOM 191 N LEU A 12 1.499 8.291 -6.136 1.00 0.00 N ATOM 192 CA LEU A 12 2.042 7.460 -5.075 1.00 0.00 C ATOM 193 C LEU A 12 2.751 6.233 -5.633 1.00 0.00 C ATOM 194 O LEU A 12 2.264 5.577 -6.554 1.00 0.00 O ATOM 195 CB LEU A 12 0.926 7.042 -4.113 1.00 0.00 C ATOM 196 CG LEU A 12 1.378 6.180 -2.938 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.589 6.805 -2.270 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.245 6.001 -1.938 1.00 0.00 C ATOM 0 H LEU A 12 1.037 7.778 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 12 2.781 8.048 -4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.448 7.940 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.168 6.496 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 12 1.656 5.195 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.904 6.183 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.403 6.882 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.331 7.799 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.587 5.383 -1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.066 6.976 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.599 5.515 -2.428 1.00 0.00 H new ATOM 210 N LYS A 13 3.904 5.926 -5.049 1.00 0.00 N ATOM 211 CA LYS A 13 4.696 4.775 -5.456 1.00 0.00 C ATOM 212 C LYS A 13 5.348 4.141 -4.235 1.00 0.00 C ATOM 213 O LYS A 13 5.760 4.844 -3.314 1.00 0.00 O ATOM 214 CB LYS A 13 5.772 5.184 -6.467 1.00 0.00 C ATOM 215 CG LYS A 13 5.231 5.968 -7.652 1.00 0.00 C ATOM 216 CD LYS A 13 5.136 7.458 -7.353 1.00 0.00 C ATOM 217 CE LYS A 13 6.510 8.074 -7.137 1.00 0.00 C ATOM 218 NZ LYS A 13 6.426 9.539 -6.884 1.00 0.00 N ATOM 0 H LYS A 13 4.312 6.465 -4.285 1.00 0.00 H new ATOM 0 HA LYS A 13 4.034 4.051 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.526 5.785 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.273 4.288 -6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.877 5.812 -8.516 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.245 5.588 -7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.635 7.964 -8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.523 7.613 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.998 7.587 -6.293 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.132 7.892 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.382 9.922 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.983 10.007 -7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.854 9.712 -6.033 1.00 0.00 H new ATOM 232 N GLY A 14 5.441 2.815 -4.222 1.00 0.00 N ATOM 233 CA GLY A 14 6.048 2.145 -3.086 1.00 0.00 C ATOM 234 C GLY A 14 6.209 0.652 -3.284 1.00 0.00 C ATOM 235 O GLY A 14 5.884 0.113 -4.341 1.00 0.00 O ATOM 0 H GLY A 14 5.112 2.200 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.026 2.586 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.438 2.323 -2.200 1.00 0.00 H new ATOM 239 N GLU A 15 6.710 -0.012 -2.247 1.00 0.00 N ATOM 240 CA GLU A 15 6.918 -1.454 -2.278 1.00 0.00 C ATOM 241 C GLU A 15 6.535 -2.070 -0.937 1.00 0.00 C ATOM 242 O GLU A 15 6.881 -1.544 0.121 1.00 0.00 O ATOM 243 CB GLU A 15 8.378 -1.792 -2.601 1.00 0.00 C ATOM 244 CG GLU A 15 8.847 -1.309 -3.967 1.00 0.00 C ATOM 245 CD GLU A 15 8.992 0.198 -4.046 1.00 0.00 C ATOM 246 OE1 GLU A 15 9.748 0.765 -3.229 1.00 0.00 O ATOM 247 OE2 GLU A 15 8.358 0.811 -4.930 1.00 0.00 O ATOM 0 H GLU A 15 6.981 0.431 -1.369 1.00 0.00 H new ATOM 0 HA GLU A 15 6.284 -1.868 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.018 -1.354 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.509 -2.873 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.805 -1.773 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.138 -1.640 -4.726 1.00 0.00 H new ATOM 254 N THR A 16 5.824 -3.187 -0.990 1.00 0.00 N ATOM 255 CA THR A 16 5.395 -3.877 0.217 1.00 0.00 C ATOM 256 C THR A 16 5.627 -5.381 0.092 1.00 0.00 C ATOM 257 O THR A 16 5.891 -5.884 -0.998 1.00 0.00 O ATOM 258 CB THR A 16 3.928 -3.559 0.523 1.00 0.00 C ATOM 259 OG1 THR A 16 3.373 -4.541 1.359 1.00 0.00 O ATOM 260 CG2 THR A 16 3.053 -3.444 -0.707 1.00 0.00 C ATOM 0 H THR A 16 5.532 -3.635 -1.858 1.00 0.00 H new ATOM 0 HA THR A 16 5.996 -3.521 1.054 1.00 0.00 H new ATOM 0 HB THR A 16 3.946 -2.585 1.012 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.395 -4.503 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.030 -3.218 -0.406 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.428 -2.645 -1.347 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.070 -4.386 -1.255 1.00 0.00 H new ATOM 268 N THR A 17 5.566 -6.093 1.218 1.00 0.00 N ATOM 269 CA THR A 17 5.811 -7.533 1.211 1.00 0.00 C ATOM 270 C THR A 17 4.924 -8.305 2.189 1.00 0.00 C ATOM 271 O THR A 17 4.991 -8.105 3.403 1.00 0.00 O ATOM 272 CB THR A 17 7.278 -7.803 1.540 1.00 0.00 C ATOM 273 OG1 THR A 17 7.624 -7.227 2.787 1.00 0.00 O ATOM 274 CG2 THR A 17 8.236 -7.260 0.501 1.00 0.00 C ATOM 0 H THR A 17 5.352 -5.701 2.135 1.00 0.00 H new ATOM 0 HA THR A 17 5.563 -7.887 0.210 1.00 0.00 H new ATOM 0 HB THR A 17 7.374 -8.888 1.565 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.862 -7.292 3.400 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.260 -7.486 0.797 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.026 -7.722 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.112 -6.180 0.421 1.00 0.00 H new ATOM 282 N THR A 18 4.121 -9.215 1.643 1.00 0.00 N ATOM 283 CA THR A 18 3.238 -10.065 2.440 1.00 0.00 C ATOM 284 C THR A 18 3.794 -11.489 2.467 1.00 0.00 C ATOM 285 O THR A 18 4.374 -11.949 1.485 1.00 0.00 O ATOM 286 CB THR A 18 1.827 -10.072 1.845 1.00 0.00 C ATOM 287 OG1 THR A 18 0.942 -10.800 2.676 1.00 0.00 O ATOM 288 CG2 THR A 18 1.763 -10.680 0.460 1.00 0.00 C ATOM 0 H THR A 18 4.063 -9.384 0.639 1.00 0.00 H new ATOM 0 HA THR A 18 3.187 -9.672 3.455 1.00 0.00 H new ATOM 0 HB THR A 18 1.535 -9.024 1.775 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.142 -10.606 3.616 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.735 -10.653 0.098 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.401 -10.112 -0.217 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.107 -11.714 0.500 1.00 0.00 H new ATOM 296 N GLU A 19 3.610 -12.184 3.580 1.00 0.00 N ATOM 297 CA GLU A 19 4.094 -13.556 3.708 1.00 0.00 C ATOM 298 C GLU A 19 2.925 -14.533 3.645 1.00 0.00 C ATOM 299 O GLU A 19 2.095 -14.575 4.554 1.00 0.00 O ATOM 300 CB GLU A 19 4.854 -13.731 5.024 1.00 0.00 C ATOM 301 CG GLU A 19 5.412 -15.130 5.229 1.00 0.00 C ATOM 302 CD GLU A 19 6.168 -15.269 6.535 1.00 0.00 C ATOM 303 OE1 GLU A 19 7.162 -14.536 6.726 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.765 -16.107 7.368 1.00 0.00 O ATOM 0 H GLU A 19 3.131 -11.825 4.406 1.00 0.00 H new ATOM 0 HA GLU A 19 4.773 -13.764 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.675 -13.014 5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.188 -13.491 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.594 -15.850 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.076 -15.378 4.401 1.00 0.00 H new ATOM 311 N ALA A 20 2.851 -15.308 2.567 1.00 0.00 N ATOM 312 CA ALA A 20 1.764 -16.265 2.402 1.00 0.00 C ATOM 313 C ALA A 20 2.241 -17.563 1.754 1.00 0.00 C ATOM 314 O ALA A 20 3.220 -17.581 1.007 1.00 0.00 O ATOM 315 CB ALA A 20 0.643 -15.643 1.583 1.00 0.00 C ATOM 0 H ALA A 20 3.525 -15.292 1.801 1.00 0.00 H new ATOM 0 HA ALA A 20 1.389 -16.517 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.165 -16.365 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.266 -14.758 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.023 -15.360 0.601 1.00 0.00 H new ATOM 321 N VAL A 21 1.543 -18.649 2.071 1.00 0.00 N ATOM 322 CA VAL A 21 1.879 -19.975 1.555 1.00 0.00 C ATOM 323 C VAL A 21 2.040 -19.971 0.035 1.00 0.00 C ATOM 324 O VAL A 21 2.812 -20.756 -0.516 1.00 0.00 O ATOM 325 CB VAL A 21 0.801 -21.007 1.936 1.00 0.00 C ATOM 326 CG1 VAL A 21 1.243 -22.411 1.554 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.479 -20.918 3.420 1.00 0.00 C ATOM 0 H VAL A 21 0.732 -18.637 2.690 1.00 0.00 H new ATOM 0 HA VAL A 21 2.830 -20.251 2.010 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.108 -20.780 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.467 -23.125 1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.412 -22.459 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.167 -22.657 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.284 -21.654 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.380 -21.117 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.110 -19.919 3.653 1.00 0.00 H new ATOM 337 N ASP A 22 1.319 -19.080 -0.637 1.00 0.00 N ATOM 338 CA ASP A 22 1.405 -18.985 -2.094 1.00 0.00 C ATOM 339 C ASP A 22 1.043 -17.585 -2.583 1.00 0.00 C ATOM 340 O ASP A 22 0.703 -16.707 -1.791 1.00 0.00 O ATOM 341 CB ASP A 22 0.511 -20.033 -2.763 1.00 0.00 C ATOM 342 CG ASP A 22 -0.961 -19.820 -2.481 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.297 -18.835 -1.793 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.780 -20.636 -2.952 1.00 0.00 O ATOM 0 H ASP A 22 0.674 -18.419 -0.204 1.00 0.00 H new ATOM 0 HA ASP A 22 2.440 -19.182 -2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.676 -20.010 -3.840 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.802 -21.025 -2.417 1.00 0.00 H new ATOM 349 N ALA A 23 1.131 -17.386 -3.895 1.00 0.00 N ATOM 350 CA ALA A 23 0.826 -16.091 -4.495 1.00 0.00 C ATOM 351 C ALA A 23 -0.607 -15.661 -4.210 1.00 0.00 C ATOM 352 O ALA A 23 -0.860 -14.501 -3.884 1.00 0.00 O ATOM 353 CB ALA A 23 1.084 -16.131 -5.995 1.00 0.00 C ATOM 0 H ALA A 23 1.411 -18.105 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 23 1.485 -15.351 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.852 -15.159 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.132 -16.370 -6.178 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.453 -16.893 -6.453 1.00 0.00 H new ATOM 359 N ALA A 24 -1.539 -16.595 -4.326 1.00 0.00 N ATOM 360 CA ALA A 24 -2.940 -16.294 -4.068 1.00 0.00 C ATOM 361 C ALA A 24 -3.128 -15.854 -2.626 1.00 0.00 C ATOM 362 O ALA A 24 -3.653 -14.774 -2.363 1.00 0.00 O ATOM 363 CB ALA A 24 -3.816 -17.498 -4.382 1.00 0.00 C ATOM 0 H ALA A 24 -1.353 -17.561 -4.595 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.244 -15.476 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.859 -17.251 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.702 -17.767 -5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.516 -18.339 -3.757 1.00 0.00 H new ATOM 369 N THR A 25 -2.667 -16.681 -1.689 1.00 0.00 N ATOM 370 CA THR A 25 -2.761 -16.345 -0.280 1.00 0.00 C ATOM 371 C THR A 25 -2.194 -14.953 -0.062 1.00 0.00 C ATOM 372 O THR A 25 -2.800 -14.120 0.613 1.00 0.00 O ATOM 373 CB THR A 25 -2.005 -17.373 0.563 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.667 -17.505 0.120 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.637 -18.748 0.546 1.00 0.00 C ATOM 0 H THR A 25 -2.229 -17.581 -1.884 1.00 0.00 H new ATOM 0 HA THR A 25 -3.806 -16.359 0.029 1.00 0.00 H new ATOM 0 HB THR A 25 -2.044 -16.989 1.582 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.643 -17.487 -0.860 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.049 -19.426 1.164 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.652 -18.687 0.939 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.666 -19.123 -0.477 1.00 0.00 H new ATOM 383 N ALA A 26 -1.041 -14.695 -0.674 1.00 0.00 N ATOM 384 CA ALA A 26 -0.415 -13.389 -0.580 1.00 0.00 C ATOM 385 C ALA A 26 -1.359 -12.338 -1.146 1.00 0.00 C ATOM 386 O ALA A 26 -1.687 -11.358 -0.477 1.00 0.00 O ATOM 387 CB ALA A 26 0.912 -13.375 -1.327 1.00 0.00 C ATOM 0 H ALA A 26 -0.527 -15.373 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.212 -13.163 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.365 -12.387 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.581 -14.119 -0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.741 -13.609 -2.378 1.00 0.00 H new ATOM 393 N GLU A 27 -1.810 -12.560 -2.383 1.00 0.00 N ATOM 394 CA GLU A 27 -2.735 -11.648 -3.039 1.00 0.00 C ATOM 395 C GLU A 27 -3.945 -11.379 -2.156 1.00 0.00 C ATOM 396 O GLU A 27 -4.335 -10.229 -1.954 1.00 0.00 O ATOM 397 CB GLU A 27 -3.192 -12.226 -4.378 1.00 0.00 C ATOM 398 CG GLU A 27 -4.145 -11.321 -5.138 1.00 0.00 C ATOM 399 CD GLU A 27 -4.591 -11.920 -6.457 1.00 0.00 C ATOM 400 OE1 GLU A 27 -3.722 -12.190 -7.311 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.811 -12.122 -6.634 1.00 0.00 O ATOM 0 H GLU A 27 -1.546 -13.367 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.214 -10.707 -3.215 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.317 -12.420 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.678 -13.186 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.020 -11.120 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.660 -10.363 -5.324 1.00 0.00 H new ATOM 408 N LYS A 28 -4.531 -12.448 -1.618 1.00 0.00 N ATOM 409 CA LYS A 28 -5.689 -12.319 -0.744 1.00 0.00 C ATOM 410 C LYS A 28 -5.332 -11.473 0.466 1.00 0.00 C ATOM 411 O LYS A 28 -6.091 -10.592 0.872 1.00 0.00 O ATOM 412 CB LYS A 28 -6.182 -13.694 -0.294 1.00 0.00 C ATOM 413 CG LYS A 28 -6.672 -14.564 -1.437 1.00 0.00 C ATOM 414 CD LYS A 28 -7.773 -13.874 -2.220 1.00 0.00 C ATOM 415 CE LYS A 28 -8.275 -14.745 -3.359 1.00 0.00 C ATOM 416 NZ LYS A 28 -7.187 -15.092 -4.316 1.00 0.00 N ATOM 0 H LYS A 28 -4.222 -13.408 -1.773 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.490 -11.831 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.373 -14.210 0.224 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.990 -13.564 0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.841 -14.797 -2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.041 -15.511 -1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.600 -13.634 -1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.401 -12.930 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.706 -15.660 -2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.072 -14.225 -3.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.601 -15.493 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.648 -14.235 -4.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.551 -15.791 -3.881 1.00 0.00 H new ATOM 430 N VAL A 29 -4.164 -11.743 1.030 1.00 0.00 N ATOM 431 CA VAL A 29 -3.688 -11.005 2.185 1.00 0.00 C ATOM 432 C VAL A 29 -3.544 -9.531 1.851 1.00 0.00 C ATOM 433 O VAL A 29 -3.865 -8.666 2.668 1.00 0.00 O ATOM 434 CB VAL A 29 -2.338 -11.558 2.686 1.00 0.00 C ATOM 435 CG1 VAL A 29 -1.785 -10.702 3.812 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.490 -13.004 3.134 1.00 0.00 C ATOM 0 H VAL A 29 -3.528 -12.471 0.703 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.425 -11.124 2.979 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.628 -11.525 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.833 -11.113 4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.635 -9.683 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.490 -10.694 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.529 -13.379 3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.218 -13.060 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.832 -13.611 2.296 1.00 0.00 H new ATOM 446 N VAL A 30 -3.090 -9.244 0.639 1.00 0.00 N ATOM 447 CA VAL A 30 -2.947 -7.867 0.209 1.00 0.00 C ATOM 448 C VAL A 30 -4.335 -7.255 0.082 1.00 0.00 C ATOM 449 O VAL A 30 -4.603 -6.184 0.623 1.00 0.00 O ATOM 450 CB VAL A 30 -2.202 -7.755 -1.134 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.849 -6.304 -1.425 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.952 -8.625 -1.135 1.00 0.00 C ATOM 0 H VAL A 30 -2.818 -9.940 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.354 -7.332 0.951 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.862 -8.114 -1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.323 -6.242 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.762 -5.710 -1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.209 -5.919 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.443 -8.529 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.284 -8.303 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.233 -9.666 -0.976 1.00 0.00 H new ATOM 462 N LYS A 31 -5.231 -7.957 -0.623 1.00 0.00 N ATOM 463 CA LYS A 31 -6.604 -7.486 -0.790 1.00 0.00 C ATOM 464 C LYS A 31 -7.157 -7.022 0.549 1.00 0.00 C ATOM 465 O LYS A 31 -7.655 -5.906 0.679 1.00 0.00 O ATOM 466 CB LYS A 31 -7.514 -8.590 -1.346 1.00 0.00 C ATOM 467 CG LYS A 31 -7.160 -9.060 -2.748 1.00 0.00 C ATOM 468 CD LYS A 31 -6.803 -7.899 -3.659 1.00 0.00 C ATOM 469 CE LYS A 31 -7.110 -8.209 -5.117 1.00 0.00 C ATOM 470 NZ LYS A 31 -6.320 -9.362 -5.622 1.00 0.00 N ATOM 0 H LYS A 31 -5.029 -8.845 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.585 -6.659 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.479 -9.445 -0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.542 -8.228 -1.348 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.321 -9.754 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.002 -9.608 -3.171 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.357 -7.012 -3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.744 -7.666 -3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.173 -8.423 -5.225 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.898 -7.330 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.484 -9.474 -6.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.309 -9.192 -5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.614 -10.228 -5.127 1.00 0.00 H new ATOM 484 N GLN A 32 -7.039 -7.891 1.544 1.00 0.00 N ATOM 485 CA GLN A 32 -7.505 -7.575 2.882 1.00 0.00 C ATOM 486 C GLN A 32 -6.731 -6.374 3.428 1.00 0.00 C ATOM 487 O GLN A 32 -7.283 -5.537 4.142 1.00 0.00 O ATOM 488 CB GLN A 32 -7.387 -8.812 3.788 1.00 0.00 C ATOM 489 CG GLN A 32 -7.392 -8.511 5.281 1.00 0.00 C ATOM 490 CD GLN A 32 -6.057 -8.002 5.814 1.00 0.00 C ATOM 491 OE1 GLN A 32 -5.956 -7.635 6.984 1.00 0.00 O ATOM 492 NE2 GLN A 32 -5.021 -7.984 4.974 1.00 0.00 N ATOM 0 H GLN A 32 -6.625 -8.818 1.447 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.559 -7.299 2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.212 -9.489 3.565 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.466 -9.340 3.541 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.162 -7.768 5.489 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.667 -9.416 5.823 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.140 -8.296 4.010 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.109 -7.659 5.296 1.00 0.00 H new ATOM 501 N PHE A 33 -5.450 -6.294 3.072 1.00 0.00 N ATOM 502 CA PHE A 33 -4.592 -5.195 3.508 1.00 0.00 C ATOM 503 C PHE A 33 -5.203 -3.851 3.098 1.00 0.00 C ATOM 504 O PHE A 33 -5.539 -3.022 3.944 1.00 0.00 O ATOM 505 CB PHE A 33 -3.192 -5.363 2.893 1.00 0.00 C ATOM 506 CG PHE A 33 -2.152 -4.443 3.463 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.687 -4.631 4.755 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.632 -3.391 2.711 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.729 -3.794 5.289 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.673 -2.552 3.247 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.221 -2.756 4.536 1.00 0.00 C ATOM 0 H PHE A 33 -4.982 -6.981 2.480 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.506 -5.213 4.594 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.866 -6.393 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.258 -5.196 1.818 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.079 -5.442 5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.981 -3.230 1.702 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.376 -3.952 6.298 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.277 -1.738 2.658 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.530 -2.103 4.954 1.00 0.00 H new ATOM 521 N PHE A 34 -5.357 -3.663 1.791 1.00 0.00 N ATOM 522 CA PHE A 34 -5.940 -2.437 1.248 1.00 0.00 C ATOM 523 C PHE A 34 -7.421 -2.353 1.574 1.00 0.00 C ATOM 524 O PHE A 34 -7.933 -1.288 1.919 1.00 0.00 O ATOM 525 CB PHE A 34 -5.692 -2.365 -0.254 1.00 0.00 C ATOM 526 CG PHE A 34 -4.227 -2.374 -0.557 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.373 -1.521 0.122 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.698 -3.251 -1.485 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.019 -1.544 -0.115 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.342 -3.274 -1.734 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.502 -2.419 -1.044 1.00 0.00 C ATOM 0 H PHE A 34 -5.085 -4.346 1.084 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.457 -1.578 1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.174 -3.210 -0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.145 -1.460 -0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.776 -0.829 0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.352 -3.924 -2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.363 -0.878 0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.937 -3.958 -2.466 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.439 -2.438 -1.234 1.00 0.00 H new ATOM 541 N ASN A 35 -8.100 -3.486 1.492 1.00 0.00 N ATOM 542 CA ASN A 35 -9.521 -3.551 1.811 1.00 0.00 C ATOM 543 C ASN A 35 -9.779 -2.885 3.160 1.00 0.00 C ATOM 544 O ASN A 35 -10.779 -2.195 3.356 1.00 0.00 O ATOM 545 CB ASN A 35 -9.964 -5.011 1.868 1.00 0.00 C ATOM 546 CG ASN A 35 -11.437 -5.167 2.171 1.00 0.00 C ATOM 547 OD1 ASN A 35 -11.971 -4.536 3.082 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.094 -6.039 1.421 1.00 0.00 N ATOM 0 H ASN A 35 -7.691 -4.376 1.207 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.087 -3.029 1.040 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.741 -5.491 0.915 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.384 -5.532 2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.086 -6.210 1.588 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.608 -6.539 0.676 1.00 0.00 H new ATOM 555 N ASP A 36 -8.850 -3.115 4.083 1.00 0.00 N ATOM 556 CA ASP A 36 -8.937 -2.560 5.430 1.00 0.00 C ATOM 557 C ASP A 36 -8.167 -1.246 5.575 1.00 0.00 C ATOM 558 O ASP A 36 -8.476 -0.445 6.457 1.00 0.00 O ATOM 559 CB ASP A 36 -8.440 -3.577 6.459 1.00 0.00 C ATOM 560 CG ASP A 36 -9.289 -4.834 6.487 1.00 0.00 C ATOM 561 OD1 ASP A 36 -9.390 -5.505 5.438 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.852 -5.145 7.556 1.00 0.00 O ATOM 0 H ASP A 36 -8.021 -3.687 3.920 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.988 -2.339 5.614 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.408 -3.844 6.232 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.441 -3.119 7.448 1.00 0.00 H new ATOM 567 N ASN A 37 -7.179 -1.008 4.712 1.00 0.00 N ATOM 568 CA ASN A 37 -6.416 0.238 4.784 1.00 0.00 C ATOM 569 C ASN A 37 -7.197 1.363 4.127 1.00 0.00 C ATOM 570 O ASN A 37 -7.321 2.454 4.682 1.00 0.00 O ATOM 571 CB ASN A 37 -5.050 0.105 4.101 1.00 0.00 C ATOM 572 CG ASN A 37 -4.117 -0.846 4.822 1.00 0.00 C ATOM 573 OD1 ASN A 37 -3.995 -0.804 6.045 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.424 -1.687 4.064 1.00 0.00 N ATOM 0 H ASN A 37 -6.892 -1.646 3.970 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.252 0.463 5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.194 -0.242 3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.583 1.088 4.041 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.760 -2.331 4.493 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.556 -1.689 3.053 1.00 0.00 H new ATOM 581 N GLY A 38 -7.724 1.063 2.939 1.00 0.00 N ATOM 582 CA GLY A 38 -8.510 2.004 2.157 1.00 0.00 C ATOM 583 C GLY A 38 -8.823 3.325 2.843 1.00 0.00 C ATOM 584 O GLY A 38 -7.926 4.121 3.124 1.00 0.00 O ATOM 0 H GLY A 38 -7.614 0.152 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.977 2.214 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.450 1.525 1.883 1.00 0.00 H new ATOM 588 N VAL A 39 -10.111 3.582 3.037 1.00 0.00 N ATOM 589 CA VAL A 39 -10.565 4.845 3.616 1.00 0.00 C ATOM 590 C VAL A 39 -11.177 4.708 5.009 1.00 0.00 C ATOM 591 O VAL A 39 -11.684 5.689 5.555 1.00 0.00 O ATOM 592 CB VAL A 39 -11.622 5.482 2.708 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.002 6.874 3.196 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.143 5.526 1.265 1.00 0.00 C ATOM 0 H VAL A 39 -10.862 2.933 2.802 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.671 5.462 3.704 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.515 4.859 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.754 7.300 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.406 6.808 4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.118 7.512 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.911 5.982 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.228 6.115 1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.947 4.512 0.916 1.00 0.00 H new ATOM 604 N ASP A 40 -11.150 3.522 5.594 1.00 0.00 N ATOM 605 CA ASP A 40 -11.733 3.340 6.924 1.00 0.00 C ATOM 606 C ASP A 40 -10.722 2.776 7.925 1.00 0.00 C ATOM 607 O ASP A 40 -11.099 2.351 9.017 1.00 0.00 O ATOM 608 CB ASP A 40 -12.948 2.414 6.842 1.00 0.00 C ATOM 609 CG ASP A 40 -14.033 2.965 5.938 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.537 4.073 6.222 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.380 2.288 4.946 1.00 0.00 O ATOM 0 H ASP A 40 -10.741 2.683 5.184 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.039 4.323 7.281 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.633 1.437 6.474 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.354 2.262 7.842 1.00 0.00 H new ATOM 616 N GLY A 41 -9.446 2.771 7.554 1.00 0.00 N ATOM 617 CA GLY A 41 -8.422 2.250 8.445 1.00 0.00 C ATOM 618 C GLY A 41 -7.961 3.269 9.474 1.00 0.00 C ATOM 619 O GLY A 41 -8.406 4.416 9.467 1.00 0.00 O ATOM 0 H GLY A 41 -9.102 3.116 6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.808 1.370 8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.566 1.924 7.855 1.00 0.00 H new ATOM 623 N GLU A 42 -7.053 2.847 10.351 1.00 0.00 N ATOM 624 CA GLU A 42 -6.515 3.723 11.387 1.00 0.00 C ATOM 625 C GLU A 42 -5.176 4.300 10.938 1.00 0.00 C ATOM 626 O GLU A 42 -4.151 3.620 10.987 1.00 0.00 O ATOM 627 CB GLU A 42 -6.342 2.957 12.697 1.00 0.00 C ATOM 628 CG GLU A 42 -7.638 2.378 13.239 1.00 0.00 C ATOM 629 CD GLU A 42 -7.440 1.617 14.535 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.674 0.631 14.533 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.051 2.006 15.553 1.00 0.00 O ATOM 0 H GLU A 42 -6.674 1.900 10.364 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.218 4.540 11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.628 2.147 12.543 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.911 3.624 13.444 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.352 3.185 13.402 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.074 1.712 12.494 1.00 0.00 H new ATOM 638 N TRP A 43 -5.197 5.541 10.467 1.00 0.00 N ATOM 639 CA TRP A 43 -3.988 6.189 9.970 1.00 0.00 C ATOM 640 C TRP A 43 -3.323 7.089 11.010 1.00 0.00 C ATOM 641 O TRP A 43 -3.914 8.065 11.470 1.00 0.00 O ATOM 642 CB TRP A 43 -4.321 7.027 8.739 1.00 0.00 C ATOM 643 CG TRP A 43 -4.832 6.226 7.586 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.793 5.255 7.611 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.407 6.337 6.228 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.987 4.755 6.345 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.147 5.406 5.481 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.469 7.138 5.574 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.976 5.253 4.107 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.302 6.988 4.214 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.052 6.051 3.493 1.00 0.00 C ATOM 0 H TRP A 43 -6.036 6.119 10.418 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.286 5.392 9.724 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.067 7.774 9.010 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.428 7.568 8.426 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.322 4.929 8.494 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.648 4.020 6.091 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.885 7.862 6.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.552 4.531 3.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.581 7.603 3.696 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.897 5.957 2.428 1.00 0.00 H new ATOM 662 N THR A 44 -2.075 6.772 11.339 1.00 0.00 N ATOM 663 CA THR A 44 -1.302 7.568 12.283 1.00 0.00 C ATOM 664 C THR A 44 -0.186 8.296 11.533 1.00 0.00 C ATOM 665 O THR A 44 0.455 7.716 10.654 1.00 0.00 O ATOM 666 CB THR A 44 -0.723 6.683 13.388 1.00 0.00 C ATOM 667 OG1 THR A 44 0.004 5.600 12.836 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.779 6.108 14.308 1.00 0.00 C ATOM 0 H THR A 44 -1.576 5.965 10.963 1.00 0.00 H new ATOM 0 HA THR A 44 -1.956 8.302 12.754 1.00 0.00 H new ATOM 0 HB THR A 44 -0.073 7.336 13.970 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.671 5.942 12.205 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.302 5.490 15.069 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.324 6.920 14.789 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.473 5.499 13.729 1.00 0.00 H new ATOM 676 N TYR A 45 0.027 9.569 11.853 1.00 0.00 N ATOM 677 CA TYR A 45 1.047 10.362 11.170 1.00 0.00 C ATOM 678 C TYR A 45 2.216 10.713 12.086 1.00 0.00 C ATOM 679 O TYR A 45 2.043 10.926 13.287 1.00 0.00 O ATOM 680 CB TYR A 45 0.420 11.645 10.615 1.00 0.00 C ATOM 681 CG TYR A 45 1.395 12.540 9.884 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.251 12.027 8.916 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.459 13.899 10.160 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.141 12.843 8.246 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.347 14.722 9.494 1.00 0.00 C ATOM 686 CZ TYR A 45 3.186 14.190 8.538 1.00 0.00 C ATOM 687 OH TYR A 45 4.070 15.006 7.875 1.00 0.00 O ATOM 0 H TYR A 45 -0.488 10.072 12.576 1.00 0.00 H new ATOM 0 HA TYR A 45 1.441 9.755 10.355 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.390 11.377 9.937 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.025 12.205 11.438 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.219 10.973 8.684 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.804 14.320 10.908 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.799 12.428 7.497 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.384 15.777 9.721 1.00 0.00 H new ATOM 0 HH TYR A 45 3.972 15.926 8.199 1.00 0.00 H new ATOM 697 N ASP A 46 3.409 10.792 11.496 1.00 0.00 N ATOM 698 CA ASP A 46 4.619 11.141 12.232 1.00 0.00 C ATOM 699 C ASP A 46 5.288 12.360 11.597 1.00 0.00 C ATOM 700 O ASP A 46 6.224 12.227 10.811 1.00 0.00 O ATOM 701 CB ASP A 46 5.590 9.959 12.255 1.00 0.00 C ATOM 702 CG ASP A 46 6.856 10.263 13.034 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.750 10.562 14.242 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.951 10.201 12.437 1.00 0.00 O ATOM 0 H ASP A 46 3.561 10.617 10.503 1.00 0.00 H new ATOM 0 HA ASP A 46 4.344 11.384 13.258 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.094 9.094 12.696 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.853 9.688 11.232 1.00 0.00 H new ATOM 709 N ASP A 47 4.787 13.545 11.934 1.00 0.00 N ATOM 710 CA ASP A 47 5.315 14.796 11.390 1.00 0.00 C ATOM 711 C ASP A 47 6.841 14.851 11.446 1.00 0.00 C ATOM 712 O ASP A 47 7.484 15.405 10.555 1.00 0.00 O ATOM 713 CB ASP A 47 4.729 15.987 12.149 1.00 0.00 C ATOM 714 CG ASP A 47 3.217 16.045 12.058 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.558 15.079 12.495 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.692 17.058 11.548 1.00 0.00 O ATOM 0 H ASP A 47 4.011 13.667 12.585 1.00 0.00 H new ATOM 0 HA ASP A 47 5.020 14.843 10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.025 15.928 13.196 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.150 16.910 11.751 1.00 0.00 H new ATOM 721 N ALA A 48 7.415 14.290 12.504 1.00 0.00 N ATOM 722 CA ALA A 48 8.866 14.294 12.686 1.00 0.00 C ATOM 723 C ALA A 48 9.604 13.807 11.440 1.00 0.00 C ATOM 724 O ALA A 48 10.672 14.318 11.103 1.00 0.00 O ATOM 725 CB ALA A 48 9.245 13.440 13.887 1.00 0.00 C ATOM 0 H ALA A 48 6.899 13.825 13.251 1.00 0.00 H new ATOM 0 HA ALA A 48 9.170 15.326 12.862 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.328 13.450 14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.771 13.841 14.783 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.908 12.416 13.726 1.00 0.00 H new ATOM 731 N THR A 49 9.034 12.821 10.760 1.00 0.00 N ATOM 732 CA THR A 49 9.649 12.273 9.552 1.00 0.00 C ATOM 733 C THR A 49 8.663 12.229 8.385 1.00 0.00 C ATOM 734 O THR A 49 8.923 11.577 7.372 1.00 0.00 O ATOM 735 CB THR A 49 10.190 10.869 9.827 1.00 0.00 C ATOM 736 OG1 THR A 49 9.146 9.998 10.228 1.00 0.00 O ATOM 737 CG2 THR A 49 11.251 10.838 10.906 1.00 0.00 C ATOM 0 H THR A 49 8.150 12.384 11.021 1.00 0.00 H new ATOM 0 HA THR A 49 10.470 12.933 9.272 1.00 0.00 H new ATOM 0 HB THR A 49 10.638 10.543 8.888 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.969 10.118 11.184 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.592 9.813 11.052 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.093 11.461 10.606 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.833 11.217 11.838 1.00 0.00 H new ATOM 745 N LYS A 50 7.523 12.897 8.534 1.00 0.00 N ATOM 746 CA LYS A 50 6.502 12.894 7.491 1.00 0.00 C ATOM 747 C LYS A 50 6.119 11.465 7.129 1.00 0.00 C ATOM 748 O LYS A 50 5.745 11.177 5.991 1.00 0.00 O ATOM 749 CB LYS A 50 6.985 13.619 6.231 1.00 0.00 C ATOM 750 CG LYS A 50 6.902 15.137 6.303 1.00 0.00 C ATOM 751 CD LYS A 50 8.082 15.755 7.034 1.00 0.00 C ATOM 752 CE LYS A 50 9.415 15.321 6.439 1.00 0.00 C ATOM 753 NZ LYS A 50 10.564 16.009 7.092 1.00 0.00 N ATOM 0 H LYS A 50 7.284 13.444 9.361 1.00 0.00 H new ATOM 0 HA LYS A 50 5.633 13.421 7.885 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.019 13.333 6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.395 13.276 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.853 15.542 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.978 15.423 6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.004 16.841 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.045 15.471 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.528 14.242 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.423 15.536 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.453 15.687 6.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.470 17.037 6.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.572 15.784 8.107 1.00 0.00 H new ATOM 767 N THR A 51 6.241 10.569 8.101 1.00 0.00 N ATOM 768 CA THR A 51 5.929 9.165 7.884 1.00 0.00 C ATOM 769 C THR A 51 4.525 8.821 8.367 1.00 0.00 C ATOM 770 O THR A 51 4.122 9.201 9.467 1.00 0.00 O ATOM 771 CB THR A 51 6.957 8.282 8.594 1.00 0.00 C ATOM 772 OG1 THR A 51 8.266 8.566 8.133 1.00 0.00 O ATOM 773 CG2 THR A 51 6.715 6.801 8.395 1.00 0.00 C ATOM 0 H THR A 51 6.554 10.791 9.046 1.00 0.00 H new ATOM 0 HA THR A 51 5.969 8.978 6.811 1.00 0.00 H new ATOM 0 HB THR A 51 6.851 8.513 9.654 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.790 8.961 8.860 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.480 6.233 8.925 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.732 6.537 8.785 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.759 6.565 7.332 1.00 0.00 H new ATOM 781 N PHE A 52 3.792 8.085 7.538 1.00 0.00 N ATOM 782 CA PHE A 52 2.437 7.669 7.875 1.00 0.00 C ATOM 783 C PHE A 52 2.391 6.160 8.080 1.00 0.00 C ATOM 784 O PHE A 52 2.842 5.401 7.229 1.00 0.00 O ATOM 785 CB PHE A 52 1.462 8.062 6.763 1.00 0.00 C ATOM 786 CG PHE A 52 1.440 9.534 6.462 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.490 10.132 5.785 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.366 10.318 6.852 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.471 11.485 5.503 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.340 11.671 6.572 1.00 0.00 C ATOM 791 CZ PHE A 52 1.394 12.255 5.898 1.00 0.00 C ATOM 0 H PHE A 52 4.116 7.764 6.626 1.00 0.00 H new ATOM 0 HA PHE A 52 2.143 8.171 8.797 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.725 7.520 5.855 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.458 7.744 7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.334 9.534 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.460 9.866 7.381 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.296 11.939 4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.504 12.271 6.880 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.377 13.313 5.680 1.00 0.00 H new ATOM 801 N THR A 53 1.840 5.723 9.203 1.00 0.00 N ATOM 802 CA THR A 53 1.745 4.297 9.484 1.00 0.00 C ATOM 803 C THR A 53 0.307 3.807 9.419 1.00 0.00 C ATOM 804 O THR A 53 -0.427 3.842 10.408 1.00 0.00 O ATOM 805 CB THR A 53 2.370 3.960 10.836 1.00 0.00 C ATOM 806 OG1 THR A 53 2.067 4.949 11.804 1.00 0.00 O ATOM 807 CG2 THR A 53 3.871 3.807 10.770 1.00 0.00 C ATOM 0 H THR A 53 1.455 6.328 9.928 1.00 0.00 H new ATOM 0 HA THR A 53 2.307 3.777 8.709 1.00 0.00 H new ATOM 0 HB THR A 53 1.936 3.003 11.124 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.405 4.597 12.435 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.256 3.568 11.761 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.125 3.003 10.079 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.317 4.739 10.422 1.00 0.00 H new ATOM 815 N VAL A 54 -0.074 3.334 8.239 1.00 0.00 N ATOM 816 CA VAL A 54 -1.412 2.807 8.017 1.00 0.00 C ATOM 817 C VAL A 54 -1.470 1.359 8.482 1.00 0.00 C ATOM 818 O VAL A 54 -0.734 0.509 7.980 1.00 0.00 O ATOM 819 CB VAL A 54 -1.816 2.886 6.531 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.238 2.383 6.333 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.670 4.309 6.016 1.00 0.00 C ATOM 0 H VAL A 54 0.530 3.305 7.417 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.113 3.415 8.589 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.148 2.244 5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.503 2.447 5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.306 1.346 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.925 2.995 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.959 4.347 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.313 4.973 6.594 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.633 4.629 6.119 1.00 0.00 H new ATOM 831 N THR A 55 -2.319 1.086 9.462 1.00 0.00 N ATOM 832 CA THR A 55 -2.430 -0.257 10.007 1.00 0.00 C ATOM 833 C THR A 55 -3.389 -1.124 9.197 1.00 0.00 C ATOM 834 O THR A 55 -4.231 -0.622 8.456 1.00 0.00 O ATOM 835 CB THR A 55 -2.868 -0.212 11.469 1.00 0.00 C ATOM 836 OG1 THR A 55 -2.134 0.770 12.180 1.00 0.00 O ATOM 837 CG2 THR A 55 -2.665 -1.531 12.181 1.00 0.00 C ATOM 0 H THR A 55 -2.937 1.773 9.893 1.00 0.00 H new ATOM 0 HA THR A 55 -1.441 -0.711 9.946 1.00 0.00 H new ATOM 0 HB THR A 55 -3.932 0.024 11.452 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.429 0.786 13.114 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.994 -1.440 13.216 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.246 -2.307 11.683 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.609 -1.798 12.158 1.00 0.00 H new ATOM 845 N GLU A 56 -3.248 -2.433 9.371 1.00 0.00 N ATOM 846 CA GLU A 56 -4.097 -3.397 8.677 1.00 0.00 C ATOM 847 C GLU A 56 -5.376 -3.662 9.466 1.00 0.00 C ATOM 848 O GLU A 56 -6.271 -4.350 8.931 1.00 0.00 O ATOM 849 CB GLU A 56 -3.338 -4.699 8.445 1.00 0.00 C ATOM 850 CG GLU A 56 -4.136 -5.769 7.724 1.00 0.00 C ATOM 851 CD GLU A 56 -3.334 -7.039 7.522 1.00 0.00 C ATOM 852 OE1 GLU A 56 -3.021 -7.707 8.529 1.00 0.00 O ATOM 853 OE2 GLU A 56 -3.006 -7.357 6.362 1.00 0.00 O ATOM 854 OXT GLU A 56 -5.477 -3.172 10.610 1.00 0.00 O ATOM 0 H GLU A 56 -2.553 -2.853 9.988 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.374 -2.975 7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.438 -4.483 7.868 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.013 -5.092 9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.036 -5.996 8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.461 -5.388 6.756 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.680 18.495 -1.545 1.00 0.00 N ATOM 863 CA MET B 1 7.620 17.654 -0.758 1.00 0.00 C ATOM 864 C MET B 1 7.279 16.174 -0.917 1.00 0.00 C ATOM 865 O MET B 1 6.168 15.822 -1.311 1.00 0.00 O ATOM 866 CB MET B 1 7.510 18.053 0.717 1.00 0.00 C ATOM 867 CG MET B 1 8.768 17.772 1.530 1.00 0.00 C ATOM 868 SD MET B 1 8.406 17.378 3.247 1.00 0.00 S ATOM 869 CE MET B 1 7.577 15.809 3.032 1.00 0.00 C ATOM 0 H1 MET B 1 6.816 19.495 -1.295 1.00 0.00 H new ATOM 0 H2 MET B 1 6.864 18.364 -2.560 1.00 0.00 H new ATOM 0 H3 MET B 1 5.701 18.215 -1.331 1.00 0.00 H new ATOM 0 HA MET B 1 8.636 17.811 -1.119 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.280 19.117 0.779 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.673 17.519 1.166 1.00 0.00 H new ATOM 0 HG2 MET B 1 9.311 16.943 1.077 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.424 18.642 1.491 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.636 15.816 3.582 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.377 15.645 1.973 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.212 15.007 3.410 1.00 0.00 H new ATOM 881 N GLN B 2 8.235 15.311 -0.589 1.00 0.00 N ATOM 882 CA GLN B 2 8.030 13.873 -0.675 1.00 0.00 C ATOM 883 C GLN B 2 7.697 13.309 0.702 1.00 0.00 C ATOM 884 O GLN B 2 8.376 13.605 1.683 1.00 0.00 O ATOM 885 CB GLN B 2 9.278 13.186 -1.234 1.00 0.00 C ATOM 886 CG GLN B 2 9.146 11.677 -1.346 1.00 0.00 C ATOM 887 CD GLN B 2 10.395 11.021 -1.903 1.00 0.00 C ATOM 888 OE1 GLN B 2 11.476 11.123 -1.321 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.253 10.344 -3.036 1.00 0.00 N ATOM 0 H GLN B 2 9.161 15.585 -0.261 1.00 0.00 H new ATOM 0 HA GLN B 2 7.196 13.681 -1.350 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.497 13.597 -2.220 1.00 0.00 H new ATOM 0 HB3 GLN B 2 10.129 13.421 -0.594 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.930 11.261 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN B 2 8.298 11.437 -1.987 1.00 0.00 H new ATOM 0 HE21 GLN B 2 9.339 10.286 -3.484 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.058 9.882 -3.459 1.00 0.00 H new ATOM 898 N TYR B 3 6.654 12.488 0.771 1.00 0.00 N ATOM 899 CA TYR B 3 6.247 11.886 2.033 1.00 0.00 C ATOM 900 C TYR B 3 6.411 10.374 1.988 1.00 0.00 C ATOM 901 O TYR B 3 6.195 9.748 0.952 1.00 0.00 O ATOM 902 CB TYR B 3 4.797 12.254 2.361 1.00 0.00 C ATOM 903 CG TYR B 3 4.608 13.719 2.700 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.523 14.680 1.701 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.521 14.137 4.022 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.356 16.019 2.010 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.354 15.472 4.341 1.00 0.00 C ATOM 908 CZ TYR B 3 4.272 16.409 3.331 1.00 0.00 C ATOM 909 OH TYR B 3 4.109 17.741 3.643 1.00 0.00 O ATOM 0 H TYR B 3 6.078 12.226 -0.029 1.00 0.00 H new ATOM 0 HA TYR B 3 6.892 12.278 2.819 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.165 12.002 1.510 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.458 11.648 3.201 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.588 14.378 0.666 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.585 13.406 4.815 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.292 16.754 1.222 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.288 15.780 5.374 1.00 0.00 H new ATOM 0 HH TYR B 3 4.067 17.846 4.616 1.00 0.00 H new ATOM 919 N LYS B 4 6.799 9.794 3.118 1.00 0.00 N ATOM 920 CA LYS B 4 6.997 8.354 3.201 1.00 0.00 C ATOM 921 C LYS B 4 5.829 7.695 3.921 1.00 0.00 C ATOM 922 O LYS B 4 5.700 7.798 5.138 1.00 0.00 O ATOM 923 CB LYS B 4 8.307 8.036 3.925 1.00 0.00 C ATOM 924 CG LYS B 4 8.635 6.553 3.965 1.00 0.00 C ATOM 925 CD LYS B 4 9.942 6.291 4.698 1.00 0.00 C ATOM 926 CE LYS B 4 10.275 4.808 4.733 1.00 0.00 C ATOM 927 NZ LYS B 4 10.422 4.239 3.364 1.00 0.00 N ATOM 0 H LYS B 4 6.982 10.298 3.986 1.00 0.00 H new ATOM 0 HA LYS B 4 7.051 7.957 2.187 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.122 8.567 3.433 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.250 8.415 4.946 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.826 6.013 4.457 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.703 6.167 2.948 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.750 6.835 4.208 1.00 0.00 H new ATOM 0 HD3 LYS B 4 9.872 6.673 5.716 1.00 0.00 H new ATOM 0 HE2 LYS B 4 11.199 4.657 5.290 1.00 0.00 H new ATOM 0 HE3 LYS B 4 9.490 4.272 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 10.682 3.234 3.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 9.521 4.330 2.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.165 4.755 2.851 1.00 0.00 H new ATOM 941 N VAL B 5 4.976 7.019 3.163 1.00 0.00 N ATOM 942 CA VAL B 5 3.823 6.353 3.741 1.00 0.00 C ATOM 943 C VAL B 5 4.134 4.889 4.035 1.00 0.00 C ATOM 944 O VAL B 5 4.346 4.086 3.130 1.00 0.00 O ATOM 945 CB VAL B 5 2.589 6.458 2.818 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.395 5.731 3.424 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.249 7.918 2.548 1.00 0.00 C ATOM 0 H VAL B 5 5.062 6.919 2.152 1.00 0.00 H new ATOM 0 HA VAL B 5 3.590 6.858 4.678 1.00 0.00 H new ATOM 0 HB VAL B 5 2.830 5.979 1.869 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.538 5.819 2.756 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.641 4.678 3.561 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.150 6.175 4.389 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.377 7.974 1.896 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.031 8.421 3.490 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.096 8.405 2.064 1.00 0.00 H new ATOM 957 N ILE B 6 4.166 4.563 5.318 1.00 0.00 N ATOM 958 CA ILE B 6 4.455 3.210 5.767 1.00 0.00 C ATOM 959 C ILE B 6 3.161 2.432 6.008 1.00 0.00 C ATOM 960 O ILE B 6 2.268 2.894 6.717 1.00 0.00 O ATOM 961 CB ILE B 6 5.304 3.229 7.056 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.633 3.946 6.803 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.552 1.820 7.570 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.563 3.938 7.999 1.00 0.00 C ATOM 0 H ILE B 6 3.993 5.225 6.074 1.00 0.00 H new ATOM 0 HA ILE B 6 5.023 2.712 4.982 1.00 0.00 H new ATOM 0 HB ILE B 6 4.749 3.773 7.820 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.136 3.474 5.959 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.431 4.978 6.517 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.152 1.865 8.479 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.598 1.339 7.788 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.083 1.244 6.812 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.484 4.463 7.747 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.079 4.436 8.839 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.795 2.909 8.272 1.00 0.00 H new ATOM 976 N LEU B 7 3.068 1.252 5.403 1.00 0.00 N ATOM 977 CA LEU B 7 1.885 0.407 5.536 1.00 0.00 C ATOM 978 C LEU B 7 2.209 -0.819 6.394 1.00 0.00 C ATOM 979 O LEU B 7 2.841 -1.764 5.923 1.00 0.00 O ATOM 980 CB LEU B 7 1.408 -0.021 4.144 1.00 0.00 C ATOM 981 CG LEU B 7 1.483 1.067 3.080 1.00 0.00 C ATOM 982 CD1 LEU B 7 0.997 0.530 1.742 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.673 2.281 3.511 1.00 0.00 C ATOM 0 H LEU B 7 3.801 0.857 4.813 1.00 0.00 H new ATOM 0 HA LEU B 7 1.090 0.968 6.027 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.006 -0.872 3.816 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.377 -0.366 4.219 1.00 0.00 H new ATOM 0 HG LEU B 7 2.521 1.377 2.962 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.056 1.318 0.991 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.623 -0.309 1.438 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.036 0.196 1.838 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.735 3.051 2.742 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.368 1.992 3.652 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.072 2.671 4.448 1.00 0.00 H new ATOM 995 N ASN B 8 1.799 -0.784 7.665 1.00 0.00 N ATOM 996 CA ASN B 8 2.080 -1.883 8.592 1.00 0.00 C ATOM 997 C ASN B 8 0.862 -2.754 8.881 1.00 0.00 C ATOM 998 O ASN B 8 -0.062 -2.343 9.585 1.00 0.00 O ATOM 999 CB ASN B 8 2.614 -1.333 9.915 1.00 0.00 C ATOM 1000 CG ASN B 8 4.051 -0.878 9.821 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.405 -0.084 8.955 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.885 -1.374 10.724 1.00 0.00 N ATOM 0 H ASN B 8 1.274 -0.011 8.074 1.00 0.00 H new ATOM 0 HA ASN B 8 2.825 -2.509 8.102 1.00 0.00 H new ATOM 0 HB2 ASN B 8 1.992 -0.496 10.233 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.530 -2.102 10.683 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.867 -1.098 10.717 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.545 -2.032 11.425 1.00 0.00 H new ATOM 1009 N GLY B 9 0.884 -3.971 8.354 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.204 -4.892 8.592 1.00 0.00 C ATOM 1011 C GLY B 9 0.246 -6.094 9.391 1.00 0.00 C ATOM 1012 O GLY B 9 1.402 -6.167 9.809 1.00 0.00 O ATOM 0 H GLY B 9 1.635 -4.334 7.767 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.005 -4.379 9.125 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.616 -5.222 7.639 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.656 -7.044 9.603 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.314 -8.243 10.352 1.00 0.00 C ATOM 1018 C LYS B 10 0.504 -9.194 9.485 1.00 0.00 C ATOM 1019 O LYS B 10 1.556 -9.681 9.896 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.574 -8.958 10.854 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.321 -8.212 11.949 1.00 0.00 C ATOM 1022 CD LYS B 10 -2.916 -6.907 11.448 1.00 0.00 C ATOM 1023 CE LYS B 10 -3.739 -6.227 12.530 1.00 0.00 C ATOM 1024 NZ LYS B 10 -4.348 -4.956 12.051 1.00 0.00 N ATOM 0 H LYS B 10 -1.620 -7.008 9.270 1.00 0.00 H new ATOM 0 HA LYS B 10 0.280 -7.940 11.214 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.248 -9.115 10.012 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.295 -9.943 11.227 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -3.117 -8.846 12.341 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -1.641 -8.006 12.776 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -2.117 -6.241 11.123 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -3.543 -7.101 10.578 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -4.526 -6.902 12.865 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -3.105 -6.023 13.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -4.495 -4.316 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -3.713 -4.505 11.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -5.262 -5.158 11.598 1.00 0.00 H new ATOM 1038 N THR B 11 -0.004 -9.461 8.286 1.00 0.00 N ATOM 1039 CA THR B 11 0.646 -10.360 7.350 1.00 0.00 C ATOM 1040 C THR B 11 1.297 -9.596 6.204 1.00 0.00 C ATOM 1041 O THR B 11 1.859 -10.199 5.290 1.00 0.00 O ATOM 1042 CB THR B 11 -0.388 -11.329 6.791 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.575 -10.636 6.445 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.764 -12.434 7.751 1.00 0.00 C ATOM 0 H THR B 11 -0.876 -9.059 7.940 1.00 0.00 H new ATOM 0 HA THR B 11 1.428 -10.902 7.881 1.00 0.00 H new ATOM 0 HB THR B 11 0.081 -11.783 5.918 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.354 -11.174 6.698 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.504 -13.085 7.285 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.123 -13.015 8.002 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.183 -12.000 8.659 1.00 0.00 H new ATOM 1052 N LEU B 12 1.210 -8.271 6.243 1.00 0.00 N ATOM 1053 CA LEU B 12 1.786 -7.454 5.192 1.00 0.00 C ATOM 1054 C LEU B 12 2.518 -6.243 5.760 1.00 0.00 C ATOM 1055 O LEU B 12 2.035 -5.577 6.674 1.00 0.00 O ATOM 1056 CB LEU B 12 0.696 -7.008 4.214 1.00 0.00 C ATOM 1057 CG LEU B 12 1.185 -6.158 3.045 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.390 -6.813 2.393 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.072 -5.952 2.029 1.00 0.00 C ATOM 0 H LEU B 12 0.749 -7.747 6.987 1.00 0.00 H new ATOM 0 HA LEU B 12 2.518 -8.061 4.659 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.201 -7.894 3.817 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.056 -6.443 4.765 1.00 0.00 H new ATOM 0 HG LEU B 12 1.482 -5.180 3.425 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.732 -6.199 1.560 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.192 -6.910 3.125 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.113 -7.801 2.026 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.441 -5.343 1.203 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.257 -6.919 1.648 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.767 -5.446 2.506 1.00 0.00 H new ATOM 1071 N LYS B 13 3.687 -5.966 5.193 1.00 0.00 N ATOM 1072 CA LYS B 13 4.502 -4.835 5.611 1.00 0.00 C ATOM 1073 C LYS B 13 5.186 -4.216 4.398 1.00 0.00 C ATOM 1074 O LYS B 13 5.593 -4.929 3.484 1.00 0.00 O ATOM 1075 CB LYS B 13 5.552 -5.270 6.636 1.00 0.00 C ATOM 1076 CG LYS B 13 4.976 -6.039 7.814 1.00 0.00 C ATOM 1077 CD LYS B 13 4.848 -7.526 7.514 1.00 0.00 C ATOM 1078 CE LYS B 13 6.209 -8.177 7.316 1.00 0.00 C ATOM 1079 NZ LYS B 13 6.095 -9.639 7.061 1.00 0.00 N ATOM 0 H LYS B 13 4.093 -6.516 4.436 1.00 0.00 H new ATOM 0 HA LYS B 13 3.852 -4.095 6.078 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.297 -5.890 6.138 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.070 -4.387 7.009 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.614 -5.898 8.686 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.996 -5.634 8.067 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.324 -8.019 8.333 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.243 -7.666 6.618 1.00 0.00 H new ATOM 0 HE2 LYS B 13 6.720 -7.702 6.479 1.00 0.00 H new ATOM 0 HE3 LYS B 13 6.823 -8.010 8.201 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.044 -10.044 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 5.630 -10.097 7.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.531 -9.799 6.202 1.00 0.00 H new ATOM 1093 N GLY B 14 5.312 -2.893 4.386 1.00 0.00 N ATOM 1094 CA GLY B 14 5.949 -2.238 3.261 1.00 0.00 C ATOM 1095 C GLY B 14 6.145 -0.751 3.460 1.00 0.00 C ATOM 1096 O GLY B 14 5.818 -0.204 4.513 1.00 0.00 O ATOM 0 H GLY B 14 4.988 -2.270 5.126 1.00 0.00 H new ATOM 0 HA2 GLY B 14 6.918 -2.703 3.081 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.346 -2.401 2.367 1.00 0.00 H new ATOM 1100 N GLU B 15 6.676 -0.098 2.432 1.00 0.00 N ATOM 1101 CA GLU B 15 6.919 1.338 2.464 1.00 0.00 C ATOM 1102 C GLU B 15 6.570 1.963 1.119 1.00 0.00 C ATOM 1103 O GLU B 15 6.918 1.429 0.065 1.00 0.00 O ATOM 1104 CB GLU B 15 8.382 1.641 2.810 1.00 0.00 C ATOM 1105 CG GLU B 15 8.820 1.147 4.182 1.00 0.00 C ATOM 1106 CD GLU B 15 8.927 -0.363 4.261 1.00 0.00 C ATOM 1107 OE1 GLU B 15 9.681 -0.948 3.455 1.00 0.00 O ATOM 1108 OE2 GLU B 15 8.266 -0.960 5.137 1.00 0.00 O ATOM 0 H GLU B 15 6.949 -0.547 1.558 1.00 0.00 H new ATOM 0 HA GLU B 15 6.283 1.769 3.238 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.023 1.189 2.053 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.539 2.718 2.758 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.786 1.588 4.430 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.109 1.495 4.931 1.00 0.00 H new ATOM 1115 N THR B 16 5.884 3.097 1.161 1.00 0.00 N ATOM 1116 CA THR B 16 5.489 3.798 -0.052 1.00 0.00 C ATOM 1117 C THR B 16 5.758 5.295 0.077 1.00 0.00 C ATOM 1118 O THR B 16 6.019 5.792 1.172 1.00 0.00 O ATOM 1119 CB THR B 16 4.019 3.516 -0.376 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.500 4.509 -1.223 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.126 3.423 0.839 1.00 0.00 C ATOM 0 H THR B 16 5.589 3.552 2.025 1.00 0.00 H new ATOM 0 HA THR B 16 6.091 3.428 -0.882 1.00 0.00 H new ATOM 0 HB THR B 16 4.020 2.540 -0.862 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.699 4.169 -1.673 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.102 3.222 0.524 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.472 2.616 1.484 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.158 4.365 1.387 1.00 0.00 H new ATOM 1129 N THR B 17 5.728 6.008 -1.048 1.00 0.00 N ATOM 1130 CA THR B 17 6.009 7.442 -1.038 1.00 0.00 C ATOM 1131 C THR B 17 5.155 8.235 -2.029 1.00 0.00 C ATOM 1132 O THR B 17 5.234 8.035 -3.241 1.00 0.00 O ATOM 1133 CB THR B 17 7.486 7.675 -1.345 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.837 7.091 -2.588 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.416 7.111 -0.294 1.00 0.00 C ATOM 0 H THR B 17 5.515 5.622 -1.968 1.00 0.00 H new ATOM 0 HA THR B 17 5.756 7.803 -0.041 1.00 0.00 H new ATOM 0 HB THR B 17 7.607 8.758 -1.367 1.00 0.00 H new ATOM 0 HG1 THR B 17 7.086 7.175 -3.212 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.449 7.313 -0.576 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.205 7.579 0.668 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.265 6.034 -0.215 1.00 0.00 H new ATOM 1143 N THR B 18 4.366 9.165 -1.494 1.00 0.00 N ATOM 1144 CA THR B 18 3.515 10.036 -2.303 1.00 0.00 C ATOM 1145 C THR B 18 4.105 11.446 -2.322 1.00 0.00 C ATOM 1146 O THR B 18 4.684 11.892 -1.331 1.00 0.00 O ATOM 1147 CB THR B 18 2.096 10.077 -1.729 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.240 10.825 -2.571 1.00 0.00 O ATOM 1149 CG2 THR B 18 2.028 10.686 -0.344 1.00 0.00 C ATOM 0 H THR B 18 4.298 9.336 -0.491 1.00 0.00 H new ATOM 0 HA THR B 18 3.469 9.644 -3.319 1.00 0.00 H new ATOM 0 HB THR B 18 1.778 9.037 -1.665 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.490 10.676 -3.507 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.995 10.685 0.004 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.642 10.102 0.341 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.398 11.711 -0.379 1.00 0.00 H new ATOM 1157 N GLU B 19 3.955 12.144 -3.438 1.00 0.00 N ATOM 1158 CA GLU B 19 4.475 13.506 -3.558 1.00 0.00 C ATOM 1159 C GLU B 19 3.329 14.509 -3.512 1.00 0.00 C ATOM 1160 O GLU B 19 2.513 14.572 -4.432 1.00 0.00 O ATOM 1161 CB GLU B 19 5.256 13.661 -4.863 1.00 0.00 C ATOM 1162 CG GLU B 19 5.851 15.046 -5.060 1.00 0.00 C ATOM 1163 CD GLU B 19 6.630 15.165 -6.355 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.608 14.410 -6.532 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.259 16.014 -7.194 1.00 0.00 O ATOM 0 H GLU B 19 3.481 11.796 -4.271 1.00 0.00 H new ATOM 0 HA GLU B 19 5.148 13.699 -2.722 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.059 12.924 -4.885 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.595 13.437 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.051 15.786 -5.052 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.508 15.278 -4.222 1.00 0.00 H new ATOM 1172 N ALA B 20 3.258 15.286 -2.433 1.00 0.00 N ATOM 1173 CA ALA B 20 2.192 16.270 -2.285 1.00 0.00 C ATOM 1174 C ALA B 20 2.691 17.555 -1.628 1.00 0.00 C ATOM 1175 O ALA B 20 3.660 17.550 -0.868 1.00 0.00 O ATOM 1176 CB ALA B 20 1.045 15.675 -1.482 1.00 0.00 C ATOM 0 H ALA B 20 3.919 15.253 -1.657 1.00 0.00 H new ATOM 0 HA ALA B 20 1.838 16.531 -3.282 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.253 16.416 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.655 14.798 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.404 15.384 -0.495 1.00 0.00 H new ATOM 1182 N VAL B 21 2.023 18.658 -1.956 1.00 0.00 N ATOM 1183 CA VAL B 21 2.386 19.976 -1.435 1.00 0.00 C ATOM 1184 C VAL B 21 2.525 19.967 0.086 1.00 0.00 C ATOM 1185 O VAL B 21 3.308 20.734 0.650 1.00 0.00 O ATOM 1186 CB VAL B 21 1.339 21.033 -1.831 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.810 22.427 -1.443 1.00 0.00 C ATOM 1188 CG2 VAL B 21 1.035 20.953 -3.320 1.00 0.00 C ATOM 0 H VAL B 21 1.220 18.666 -2.586 1.00 0.00 H new ATOM 0 HA VAL B 21 3.350 20.230 -1.876 1.00 0.00 H new ATOM 0 HB VAL B 21 0.417 20.827 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL B 21 1.056 23.159 -1.732 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.965 22.472 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.747 22.650 -1.954 1.00 0.00 H new ATOM 0 HG21 VAL B 21 0.293 21.708 -3.581 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.948 21.131 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.646 19.963 -3.559 1.00 0.00 H new ATOM 1198 N ASP B 22 1.774 19.096 0.748 1.00 0.00 N ATOM 1199 CA ASP B 22 1.837 18.998 2.205 1.00 0.00 C ATOM 1200 C ASP B 22 1.433 17.608 2.690 1.00 0.00 C ATOM 1201 O ASP B 22 1.084 16.738 1.893 1.00 0.00 O ATOM 1202 CB ASP B 22 0.959 20.069 2.862 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.515 19.890 2.559 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -0.864 18.915 1.868 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.320 20.726 3.019 1.00 0.00 O ATOM 0 H ASP B 22 1.119 18.451 0.306 1.00 0.00 H new ATOM 0 HA ASP B 22 2.873 19.168 2.500 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.109 20.043 3.941 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.278 21.053 2.520 1.00 0.00 H new ATOM 1210 N ALA B 23 1.498 17.407 4.003 1.00 0.00 N ATOM 1211 CA ALA B 23 1.153 16.120 4.599 1.00 0.00 C ATOM 1212 C ALA B 23 -0.285 15.725 4.293 1.00 0.00 C ATOM 1213 O ALA B 23 -0.561 14.571 3.965 1.00 0.00 O ATOM 1214 CB ALA B 23 1.390 16.154 6.102 1.00 0.00 C ATOM 0 H ALA B 23 1.786 18.119 4.674 1.00 0.00 H new ATOM 0 HA ALA B 23 1.801 15.364 4.155 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.129 15.188 6.534 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.440 16.368 6.300 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.771 16.931 6.550 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.197 16.682 4.395 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.602 16.415 4.118 1.00 0.00 C ATOM 1222 C ALA B 24 -2.778 15.978 2.674 1.00 0.00 C ATOM 1223 O ALA B 24 -3.325 14.912 2.404 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.453 17.639 4.421 1.00 0.00 C ATOM 0 H ALA B 24 -0.992 17.644 4.666 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.936 15.606 4.767 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.499 17.417 4.207 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.346 17.905 5.473 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.125 18.473 3.801 1.00 0.00 H new ATOM 1230 N THR B 25 -2.285 16.794 1.743 1.00 0.00 N ATOM 1231 CA THR B 25 -2.367 16.460 0.333 1.00 0.00 C ATOM 1232 C THR B 25 -1.832 15.054 0.122 1.00 0.00 C ATOM 1233 O THR B 25 -2.448 14.235 -0.562 1.00 0.00 O ATOM 1234 CB THR B 25 -1.574 17.468 -0.499 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.239 17.568 -0.037 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.172 18.860 -0.490 1.00 0.00 C ATOM 0 H THR B 25 -1.829 17.684 1.944 1.00 0.00 H new ATOM 0 HA THR B 25 -3.407 16.500 0.010 1.00 0.00 H new ATOM 0 HB THR B 25 -1.608 17.084 -1.519 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.228 17.533 0.942 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.559 19.523 -1.100 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.183 18.824 -0.896 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.205 19.235 0.533 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.693 14.768 0.751 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.096 13.448 0.666 1.00 0.00 C ATOM 1246 C ALA B 26 -1.076 12.421 1.217 1.00 0.00 C ATOM 1247 O ALA B 26 -1.418 11.449 0.544 1.00 0.00 O ATOM 1248 CB ALA B 26 1.218 13.403 1.431 1.00 0.00 C ATOM 0 H ALA B 26 -0.171 15.434 1.321 1.00 0.00 H new ATOM 0 HA ALA B 26 0.120 13.216 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.649 12.405 1.355 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.910 14.131 1.008 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.037 13.641 2.479 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.538 12.654 2.447 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.494 11.765 3.092 1.00 0.00 C ATOM 1256 C GLU B 27 -3.699 11.525 2.191 1.00 0.00 C ATOM 1257 O GLU B 27 -4.114 10.385 1.986 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.956 12.353 4.424 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.940 11.472 5.170 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.391 12.082 6.484 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.528 12.330 7.350 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.609 12.313 6.643 1.00 0.00 O ATOM 0 H GLU B 27 -1.262 13.455 3.015 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.997 10.812 3.277 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.085 12.526 5.056 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.416 13.324 4.242 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.811 11.292 4.540 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.480 10.503 5.363 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.249 12.607 1.645 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.398 12.506 0.754 1.00 0.00 C ATOM 1271 C LYS B 28 -5.045 11.651 -0.450 1.00 0.00 C ATOM 1272 O LYS B 28 -5.819 10.790 -0.866 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.850 13.894 0.298 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.334 14.776 1.435 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.464 14.113 2.201 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.960 14.995 3.334 1.00 0.00 C ATOM 1277 NZ LYS B 28 -6.878 15.316 4.306 1.00 0.00 N ATOM 0 H LYS B 28 -3.918 13.559 1.804 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.219 12.038 1.297 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.022 14.389 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.651 13.785 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.507 14.987 2.113 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.673 15.733 1.038 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.287 13.895 1.521 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.122 13.160 2.604 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.364 15.920 2.923 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -8.777 14.493 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.295 15.726 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.363 14.447 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.220 16.000 3.880 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.862 11.893 -0.997 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.388 11.143 -2.145 1.00 0.00 C ATOM 1293 C VAL B 29 -3.286 9.667 -1.810 1.00 0.00 C ATOM 1294 O VAL B 29 -3.616 8.810 -2.630 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.020 11.663 -2.627 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.470 10.794 -3.746 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.130 13.112 -3.078 1.00 0.00 C ATOM 0 H VAL B 29 -3.214 12.605 -0.661 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.111 11.279 -2.949 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.324 11.613 -1.790 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.504 11.183 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.348 9.772 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.163 10.803 -4.587 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.155 13.463 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -2.845 13.185 -3.897 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.469 13.728 -2.245 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.856 9.369 -0.592 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.751 7.989 -0.159 1.00 0.00 C ATOM 1309 C VAL B 30 -4.156 7.410 -0.052 1.00 0.00 C ATOM 1310 O VAL B 30 -4.441 6.346 -0.597 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.029 7.859 1.194 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.716 6.400 1.489 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.759 8.699 1.211 1.00 0.00 C ATOM 0 H VAL B 30 -2.577 10.059 0.106 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.159 7.440 -0.892 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.690 8.233 1.975 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.205 6.324 2.449 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.644 5.829 1.525 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.074 6.000 0.704 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.265 8.592 2.177 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.089 8.361 0.421 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.013 9.746 1.048 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.044 8.134 0.639 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.431 7.697 0.786 1.00 0.00 C ATOM 1325 C LYS B 31 -6.975 7.245 -0.558 1.00 0.00 C ATOM 1326 O LYS B 31 -7.499 6.143 -0.697 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.320 8.821 1.331 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.976 9.285 2.738 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.660 8.115 3.654 1.00 0.00 C ATOM 1330 CE LYS B 31 -6.981 8.432 5.106 1.00 0.00 C ATOM 1331 NZ LYS B 31 -6.169 9.567 5.622 1.00 0.00 N ATOM 0 H LYS B 31 -4.827 9.017 1.100 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.443 6.870 1.496 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.255 9.675 0.657 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.356 8.483 1.319 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.120 9.959 2.700 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.811 9.853 3.148 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.230 7.242 3.338 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.605 7.857 3.563 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.040 8.672 5.199 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.800 7.549 5.718 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.292 9.642 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.165 9.403 5.404 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.481 10.451 5.171 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.822 8.112 -1.553 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.277 7.807 -2.897 1.00 0.00 C ATOM 1347 C GLN B 32 -6.525 6.587 -3.432 1.00 0.00 C ATOM 1348 O GLN B 32 -7.088 5.765 -4.153 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.117 9.040 -3.800 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.107 8.740 -5.294 1.00 0.00 C ATOM 1351 CD GLN B 32 -5.779 8.198 -5.808 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -5.670 7.830 -6.976 1.00 0.00 O ATOM 1353 NE2 GLN B 32 -4.754 8.153 -4.954 1.00 0.00 N ATOM 0 H GLN B 32 -6.387 9.029 -1.451 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.338 7.556 -2.884 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.929 9.736 -3.589 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.188 9.546 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.893 8.017 -5.514 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.351 9.652 -5.839 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -4.878 8.466 -3.991 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -3.847 7.806 -5.264 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.252 6.476 -3.059 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.415 5.357 -3.483 1.00 0.00 C ATOM 1364 C PHE B 33 -5.063 4.029 -3.082 1.00 0.00 C ATOM 1365 O PHE B 33 -5.407 3.208 -3.932 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.020 5.491 -2.848 1.00 0.00 C ATOM 1367 CG PHE B 33 -1.994 4.545 -3.402 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.506 4.723 -4.688 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.511 3.482 -2.643 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.561 3.863 -5.209 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.565 2.620 -3.165 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.090 2.811 -4.449 1.00 0.00 C ATOM 0 H PHE B 33 -4.776 7.151 -2.461 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.314 5.373 -4.568 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.667 6.513 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.106 5.327 -1.774 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.870 5.544 -5.288 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.878 3.330 -1.639 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.190 4.013 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.197 1.797 -2.570 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.649 2.138 -4.857 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.240 3.845 -1.777 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.860 2.633 -1.242 1.00 0.00 C ATOM 1384 C PHE B 34 -7.339 2.585 -1.589 1.00 0.00 C ATOM 1385 O PHE B 34 -7.872 1.533 -1.941 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.636 2.555 0.262 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.176 2.529 0.588 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.334 1.656 -0.080 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.640 3.392 1.521 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -1.983 1.645 0.177 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.286 3.382 1.791 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.458 2.509 1.113 1.00 0.00 C ATOM 0 H PHE B 34 -4.962 4.522 -1.066 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.391 1.763 -1.701 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.105 3.411 0.748 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.116 1.661 0.659 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.743 0.975 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.285 4.082 2.045 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.336 0.962 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.876 4.055 2.530 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.397 2.504 1.317 1.00 0.00 H new ATOM 1402 N ASN B 35 -7.991 3.734 -1.516 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.405 3.833 -1.856 1.00 0.00 C ATOM 1404 C ASN B 35 -9.659 3.175 -3.209 1.00 0.00 C ATOM 1405 O ASN B 35 -10.673 2.508 -3.419 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.812 5.304 -1.918 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.276 5.495 -2.242 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.813 4.877 -3.160 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.923 6.382 -1.501 1.00 0.00 N ATOM 0 H ASN B 35 -7.565 4.614 -1.224 1.00 0.00 H new ATOM 0 HA ASN B 35 -9.995 3.324 -1.094 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.592 5.778 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.209 5.811 -2.671 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.908 6.576 -1.682 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.436 6.871 -0.750 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.713 3.383 -4.117 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.796 2.829 -5.467 1.00 0.00 C ATOM 1418 C ASP B 36 -8.056 1.496 -5.600 1.00 0.00 C ATOM 1419 O ASP B 36 -8.370 0.703 -6.486 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.258 3.832 -6.488 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.076 5.109 -6.526 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.176 5.783 -5.480 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -9.617 5.435 -7.605 1.00 0.00 O ATOM 0 H ASP B 36 -7.873 3.935 -3.943 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.850 2.635 -5.667 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.223 4.073 -6.246 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.256 3.375 -7.477 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.086 1.233 -4.723 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.352 -0.030 -4.785 1.00 0.00 C ATOM 1430 C ASN B 37 -7.170 -1.136 -4.139 1.00 0.00 C ATOM 1431 O ASN B 37 -7.312 -2.223 -4.695 1.00 0.00 O ATOM 1432 CB ASN B 37 -4.993 0.069 -4.082 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.027 0.998 -4.790 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.889 0.952 -6.010 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.323 1.822 -4.022 1.00 0.00 N ATOM 0 H ASN B 37 -6.795 1.864 -3.976 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.177 -0.258 -5.836 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.143 0.419 -3.061 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.551 -0.925 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.636 2.449 -4.442 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.469 1.828 -3.013 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.705 -0.822 -2.959 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.524 -1.745 -2.188 1.00 0.00 C ATOM 1444 C GLY B 38 -8.859 -3.057 -2.878 1.00 0.00 C ATOM 1445 O GLY B 38 -7.979 -3.876 -3.147 1.00 0.00 O ATOM 0 H GLY B 38 -7.579 0.086 -2.512 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.008 -1.967 -1.254 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.456 -1.244 -1.926 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.150 -3.283 -3.091 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.628 -4.535 -3.678 1.00 0.00 C ATOM 1451 C VAL B 39 -11.216 -4.383 -5.078 1.00 0.00 C ATOM 1452 O VAL B 39 -11.739 -5.352 -5.631 1.00 0.00 O ATOM 1453 CB VAL B 39 -11.714 -5.145 -2.784 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.120 -6.528 -3.278 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.255 -5.201 -1.335 1.00 0.00 C ATOM 0 H VAL B 39 -10.888 -2.616 -2.866 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.749 -5.174 -3.755 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.591 -4.500 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -12.891 -6.936 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.508 -6.452 -4.294 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.252 -7.187 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.042 -5.637 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.356 -5.813 -1.261 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.037 -4.193 -0.983 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.152 -3.198 -5.663 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.712 -3.003 -7.000 1.00 0.00 C ATOM 1467 C ASP B 40 -10.673 -2.464 -7.987 1.00 0.00 C ATOM 1468 O ASP B 40 -11.024 -2.031 -9.084 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.904 -2.048 -6.936 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.016 -2.571 -6.048 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.542 -3.666 -6.337 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.361 -1.887 -5.062 1.00 0.00 O ATOM 0 H ASP B 40 -10.728 -2.369 -5.247 1.00 0.00 H new ATOM 0 HA ASP B 40 -12.038 -3.979 -7.360 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.571 -1.079 -6.564 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.291 -1.887 -7.942 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.402 -2.489 -7.598 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.354 -1.993 -8.475 1.00 0.00 C ATOM 1479 C GLY B 41 -7.902 -3.023 -9.495 1.00 0.00 C ATOM 1480 O GLY B 41 -8.375 -4.159 -9.495 1.00 0.00 O ATOM 0 H GLY B 41 -9.079 -2.841 -6.697 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.713 -1.106 -8.996 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.499 -1.685 -7.873 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.974 -2.622 -10.360 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.442 -3.515 -11.388 1.00 0.00 C ATOM 1486 C GLU B 42 -5.124 -4.122 -10.921 1.00 0.00 C ATOM 1487 O GLU B 42 -4.081 -3.467 -10.957 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.231 -2.751 -12.697 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.507 -2.140 -13.256 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.271 -1.386 -14.550 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.480 -0.418 -14.536 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -7.875 -1.761 -15.576 1.00 0.00 O ATOM 0 H GLU B 42 -6.574 -1.684 -10.370 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.161 -4.316 -11.561 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.500 -1.959 -12.532 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.806 -3.427 -13.439 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.239 -2.929 -13.427 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.936 -1.463 -12.517 1.00 0.00 H new ATOM 1499 N TRP B 43 -5.181 -5.363 -10.450 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.996 -6.040 -9.937 1.00 0.00 C ATOM 1501 C TRP B 43 -3.339 -6.956 -10.967 1.00 0.00 C ATOM 1502 O TRP B 43 -3.945 -7.917 -11.437 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.366 -6.869 -8.712 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.875 -6.056 -7.565 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.811 -5.061 -7.603 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.471 -6.177 -6.201 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -6.011 -4.557 -6.341 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.199 -5.226 -5.463 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.563 -6.999 -5.535 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.044 -5.078 -4.089 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.410 -6.853 -4.173 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.148 -5.898 -3.461 1.00 0.00 C ATOM 0 H TRP B 43 -6.035 -5.920 -10.413 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.278 -5.260 -9.681 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -5.126 -7.598 -8.994 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.490 -7.431 -8.387 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.318 -4.721 -8.494 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.658 -3.807 -6.097 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.990 -7.737 -6.077 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.611 -4.342 -3.538 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.710 -7.485 -3.646 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.006 -5.808 -2.394 1.00 0.00 H new ATOM 1523 N THR B 44 -2.078 -6.668 -11.278 1.00 0.00 N ATOM 1524 CA THR B 44 -1.311 -7.483 -12.211 1.00 0.00 C ATOM 1525 C THR B 44 -0.225 -8.238 -11.446 1.00 0.00 C ATOM 1526 O THR B 44 0.417 -7.675 -10.558 1.00 0.00 O ATOM 1527 CB THR B 44 -0.695 -6.614 -13.308 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.049 -5.550 -12.746 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.723 -6.013 -14.243 1.00 0.00 C ATOM 0 H THR B 44 -1.566 -5.873 -10.895 1.00 0.00 H new ATOM 0 HA THR B 44 -1.976 -8.201 -12.691 1.00 0.00 H new ATOM 0 HB THR B 44 -0.054 -7.284 -13.881 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.631 -5.896 -12.037 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.219 -5.408 -14.997 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.281 -6.812 -14.732 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.409 -5.386 -13.674 1.00 0.00 H new ATOM 1537 N TYR B 45 -0.038 -9.516 -11.764 1.00 0.00 N ATOM 1538 CA TYR B 45 0.952 -10.334 -11.065 1.00 0.00 C ATOM 1539 C TYR B 45 2.126 -10.713 -11.967 1.00 0.00 C ATOM 1540 O TYR B 45 1.964 -10.921 -13.169 1.00 0.00 O ATOM 1541 CB TYR B 45 0.286 -11.601 -10.521 1.00 0.00 C ATOM 1542 CG TYR B 45 1.230 -12.519 -9.776 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.083 -12.027 -8.796 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.265 -13.880 -10.053 1.00 0.00 C ATOM 1545 CE1 TYR B 45 2.944 -12.865 -8.114 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.123 -14.723 -9.374 1.00 0.00 C ATOM 1547 CZ TYR B 45 2.960 -14.212 -8.406 1.00 0.00 C ATOM 1548 OH TYR B 45 3.815 -15.050 -7.730 1.00 0.00 O ATOM 0 H TYR B 45 -0.554 -10.006 -12.495 1.00 0.00 H new ATOM 0 HA TYR B 45 1.349 -9.739 -10.242 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.528 -11.314 -9.855 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.160 -12.150 -11.350 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.073 -10.972 -8.564 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.611 -14.285 -10.811 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.602 -12.466 -7.356 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.138 -15.779 -9.601 1.00 0.00 H new ATOM 0 HH TYR B 45 3.700 -15.967 -8.056 1.00 0.00 H new ATOM 1558 N ASP B 46 3.307 -10.822 -11.360 1.00 0.00 N ATOM 1559 CA ASP B 46 4.518 -11.199 -12.078 1.00 0.00 C ATOM 1560 C ASP B 46 5.149 -12.435 -11.435 1.00 0.00 C ATOM 1561 O ASP B 46 6.078 -12.323 -10.635 1.00 0.00 O ATOM 1562 CB ASP B 46 5.519 -10.042 -12.087 1.00 0.00 C ATOM 1563 CG ASP B 46 6.787 -10.377 -12.848 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.692 -10.674 -14.057 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.875 -10.340 -12.235 1.00 0.00 O ATOM 0 H ASP B 46 3.448 -10.652 -10.364 1.00 0.00 H new ATOM 0 HA ASP B 46 4.250 -11.434 -13.108 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.052 -9.165 -12.535 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.774 -9.778 -11.061 1.00 0.00 H new ATOM 1570 N ASP B 47 4.624 -13.606 -11.778 1.00 0.00 N ATOM 1571 CA ASP B 47 5.114 -14.871 -11.226 1.00 0.00 C ATOM 1572 C ASP B 47 6.640 -14.962 -11.262 1.00 0.00 C ATOM 1573 O ASP B 47 7.256 -15.532 -10.360 1.00 0.00 O ATOM 1574 CB ASP B 47 4.510 -16.047 -11.995 1.00 0.00 C ATOM 1575 CG ASP B 47 2.997 -16.068 -11.924 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.367 -15.086 -12.370 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.440 -17.067 -11.422 1.00 0.00 O ATOM 0 H ASP B 47 3.854 -13.709 -12.439 1.00 0.00 H new ATOM 0 HA ASP B 47 4.804 -14.912 -10.182 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.821 -15.994 -13.038 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.903 -16.981 -11.593 1.00 0.00 H new ATOM 1582 N ALA B 48 7.242 -14.416 -12.312 1.00 0.00 N ATOM 1583 CA ALA B 48 8.696 -14.454 -12.472 1.00 0.00 C ATOM 1584 C ALA B 48 9.427 -13.987 -11.215 1.00 0.00 C ATOM 1585 O ALA B 48 10.477 -14.522 -10.865 1.00 0.00 O ATOM 1586 CB ALA B 48 9.110 -13.611 -13.668 1.00 0.00 C ATOM 0 H ALA B 48 6.748 -13.941 -13.067 1.00 0.00 H new ATOM 0 HA ALA B 48 8.980 -15.492 -12.643 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.194 -13.645 -13.779 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.640 -14.003 -14.570 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.793 -12.580 -13.513 1.00 0.00 H new ATOM 1592 N THR B 49 8.870 -12.986 -10.544 1.00 0.00 N ATOM 1593 CA THR B 49 9.482 -12.453 -9.327 1.00 0.00 C ATOM 1594 C THR B 49 8.482 -12.385 -8.173 1.00 0.00 C ATOM 1595 O THR B 49 8.743 -11.739 -7.157 1.00 0.00 O ATOM 1596 CB THR B 49 10.061 -11.064 -9.595 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.044 -10.168 -10.009 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.138 -11.058 -10.657 1.00 0.00 C ATOM 0 H THR B 49 8.001 -12.527 -10.818 1.00 0.00 H new ATOM 0 HA THR B 49 10.283 -13.133 -9.036 1.00 0.00 H new ATOM 0 HB THR B 49 10.504 -10.750 -8.650 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.900 -10.260 -10.974 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.505 -10.041 -10.797 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.961 -11.701 -10.344 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.725 -11.427 -11.596 1.00 0.00 H new ATOM 1606 N LYS B 50 7.327 -13.025 -8.340 1.00 0.00 N ATOM 1607 CA LYS B 50 6.291 -12.997 -7.310 1.00 0.00 C ATOM 1608 C LYS B 50 5.939 -11.558 -6.956 1.00 0.00 C ATOM 1609 O LYS B 50 5.556 -11.261 -5.822 1.00 0.00 O ATOM 1610 CB LYS B 50 6.740 -13.732 -6.046 1.00 0.00 C ATOM 1611 CG LYS B 50 6.621 -15.248 -6.118 1.00 0.00 C ATOM 1612 CD LYS B 50 7.796 -15.896 -6.832 1.00 0.00 C ATOM 1613 CE LYS B 50 9.130 -15.494 -6.219 1.00 0.00 C ATOM 1614 NZ LYS B 50 10.271 -16.208 -6.854 1.00 0.00 N ATOM 0 H LYS B 50 7.086 -13.565 -9.171 1.00 0.00 H new ATOM 0 HA LYS B 50 5.414 -13.503 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS B 50 7.778 -13.472 -5.840 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.148 -13.374 -5.204 1.00 0.00 H new ATOM 0 HG2 LYS B 50 6.548 -15.651 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS B 50 5.698 -15.512 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS B 50 7.691 -16.980 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.781 -15.613 -7.885 1.00 0.00 H new ATOM 0 HE2 LYS B 50 9.270 -14.418 -6.327 1.00 0.00 H new ATOM 0 HE3 LYS B 50 9.117 -15.708 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 11.161 -15.906 -6.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 10.152 -17.234 -6.729 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 10.299 -15.984 -7.869 1.00 0.00 H new ATOM 1628 N THR B 51 6.095 -10.666 -7.924 1.00 0.00 N ATOM 1629 CA THR B 51 5.816 -9.254 -7.711 1.00 0.00 C ATOM 1630 C THR B 51 4.428 -8.877 -8.215 1.00 0.00 C ATOM 1631 O THR B 51 4.031 -9.247 -9.319 1.00 0.00 O ATOM 1632 CB THR B 51 6.874 -8.397 -8.407 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.169 -8.712 -7.928 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.665 -6.911 -8.212 1.00 0.00 C ATOM 0 H THR B 51 6.414 -10.896 -8.865 1.00 0.00 H new ATOM 0 HA THR B 51 5.847 -9.067 -6.638 1.00 0.00 H new ATOM 0 HB THR B 51 6.777 -8.626 -9.468 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.683 -9.150 -8.638 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.450 -6.362 -8.732 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.694 -6.624 -8.615 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.700 -6.675 -7.148 1.00 0.00 H new ATOM 1642 N PHE B 52 3.700 -8.124 -7.396 1.00 0.00 N ATOM 1643 CA PHE B 52 2.361 -7.674 -7.751 1.00 0.00 C ATOM 1644 C PHE B 52 2.355 -6.165 -7.957 1.00 0.00 C ATOM 1645 O PHE B 52 2.811 -5.417 -7.100 1.00 0.00 O ATOM 1646 CB PHE B 52 1.361 -8.044 -6.653 1.00 0.00 C ATOM 1647 CG PHE B 52 1.300 -9.515 -6.354 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.326 -10.138 -5.663 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.212 -10.272 -6.759 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.269 -11.490 -5.382 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.150 -11.624 -6.481 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.180 -12.234 -5.790 1.00 0.00 C ATOM 0 H PHE B 52 4.018 -7.812 -6.478 1.00 0.00 H new ATOM 0 HA PHE B 52 2.067 -8.168 -8.677 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.624 -7.509 -5.741 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.369 -7.702 -6.949 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.180 -9.561 -5.340 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.596 -9.800 -7.298 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.076 -11.964 -4.843 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.702 -12.204 -6.803 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.133 -13.290 -5.570 1.00 0.00 H new ATOM 1662 N THR B 53 1.830 -5.715 -9.087 1.00 0.00 N ATOM 1663 CA THR B 53 1.774 -4.287 -9.369 1.00 0.00 C ATOM 1664 C THR B 53 0.348 -3.763 -9.325 1.00 0.00 C ATOM 1665 O THR B 53 -0.374 -3.779 -10.324 1.00 0.00 O ATOM 1666 CB THR B 53 2.426 -3.966 -10.713 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.113 -4.948 -11.683 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.931 -3.848 -10.625 1.00 0.00 C ATOM 0 H THR B 53 1.440 -6.311 -9.818 1.00 0.00 H new ATOM 0 HA THR B 53 2.338 -3.780 -8.586 1.00 0.00 H new ATOM 0 HB THR B 53 2.019 -2.999 -11.009 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.469 -4.581 -12.324 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.336 -3.619 -11.611 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.193 -3.050 -9.931 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.350 -4.790 -10.270 1.00 0.00 H new ATOM 1676 N VAL B 54 -0.038 -3.280 -8.150 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.366 -2.720 -7.947 1.00 0.00 C ATOM 1678 C VAL B 54 -1.382 -1.271 -8.412 1.00 0.00 C ATOM 1679 O VAL B 54 -0.633 -0.440 -7.900 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.793 -2.790 -6.467 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.206 -2.251 -6.289 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.689 -4.216 -5.950 1.00 0.00 C ATOM 0 H VAL B 54 0.555 -3.266 -7.320 1.00 0.00 H new ATOM 0 HA VAL B 54 -2.073 -3.311 -8.529 1.00 0.00 H new ATOM 0 HB VAL B 54 -1.117 -2.165 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.488 -2.309 -5.238 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.243 -1.212 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.900 -2.845 -6.884 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.994 -4.247 -4.904 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.340 -4.864 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.659 -4.561 -6.038 1.00 0.00 H new ATOM 1692 N THR B 55 -2.211 -0.979 -9.404 1.00 0.00 N ATOM 1693 CA THR B 55 -2.280 0.367 -9.952 1.00 0.00 C ATOM 1694 C THR B 55 -3.230 1.257 -9.155 1.00 0.00 C ATOM 1695 O THR B 55 -4.096 0.777 -8.425 1.00 0.00 O ATOM 1696 CB THR B 55 -2.699 0.332 -11.419 1.00 0.00 C ATOM 1697 OG1 THR B 55 -1.980 -0.667 -12.121 1.00 0.00 O ATOM 1698 CG2 THR B 55 -2.455 1.646 -12.128 1.00 0.00 C ATOM 0 H THR B 55 -2.841 -1.651 -9.843 1.00 0.00 H new ATOM 0 HA THR B 55 -1.281 0.796 -9.879 1.00 0.00 H new ATOM 0 HB THR B 55 -3.768 0.121 -11.416 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.263 -0.676 -13.059 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.772 1.563 -13.168 1.00 0.00 H new ATOM 0 HG22 THR B 55 -3.024 2.435 -11.637 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.393 1.888 -12.090 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.055 2.561 -9.327 1.00 0.00 N ATOM 1707 CA GLU B 56 -3.891 3.547 -8.645 1.00 0.00 C ATOM 1708 C GLU B 56 -5.152 3.844 -9.450 1.00 0.00 C ATOM 1709 O GLU B 56 -6.035 4.553 -8.928 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.102 4.830 -8.401 1.00 0.00 C ATOM 1711 CG GLU B 56 -3.885 5.919 -7.690 1.00 0.00 C ATOM 1712 CD GLU B 56 -3.056 7.168 -7.478 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -2.712 7.829 -8.479 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -2.736 7.479 -6.312 1.00 0.00 O ATOM 1715 OXT GLU B 56 -5.247 3.356 -10.597 1.00 0.00 O ATOM 0 H GLU B 56 -2.341 2.963 -9.934 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.193 3.131 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.217 4.592 -7.812 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.753 5.216 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -4.772 6.167 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.231 5.546 -6.726 1.00 0.00 H new TER 1722 GLU B 56