USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 GLN : amide:sc= -1.64! C(o=-2.2!,f=-2!) USER MOD Set 1.2: A 14 TYR OH : rot 132:sc= -1.11 USER MOD Set 1.3: B 58 THR OG1 : rot -38:sc= 0.555 USER MOD Set 2.1: A 58 THR OG1 : rot -17:sc= 0.76 USER MOD Set 2.2: B 8 GLN :FLIP amide:sc= 0.518 F(o=-1.4!,f=1.3) USER MOD Set 2.3: B 14 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 60 MET CE :methyl 159:sc= -0.237 (180deg=-0.921) USER MOD Set 3.2: A 61 THR OG1 : rot 30:sc= 0.149 USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= 0.57 USER MOD Set 4.2: B 46 LYS NZ :NH3+ -163:sc= 1.7 (180deg=0.997) USER MOD Set 5.1: A 7 TYR OH : rot 150:sc= 0.756 USER MOD Set 5.2: A 28 SER OG : rot 92:sc= 0.857 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.668 (180deg=-1.99) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0783 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 3 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.027) USER MOD Single : A 10 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0448) USER MOD Single : A 19 LYS NZ :NH3+ -135:sc= 1.25 (180deg=0.113) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00152 USER MOD Single : A 22 ASN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 25 THR OG1 : rot 120:sc= -0.796 USER MOD Single : A 26 MET CE :methyl -143:sc= -6.72! (180deg=-9.94!) USER MOD Single : A 29 SER OG : rot -169:sc= 1.39 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.0656 X(o=-0.066,f=0) USER MOD Single : A 44 SER OG : rot -120:sc= -0.22 USER MOD Single : A 46 LYS NZ :NH3+ -126:sc= 1.24 (180deg=-0.431) USER MOD Single : A 48 ASN :FLIP amide:sc= -1.33 F(o=-1.8!,f=-1.3) USER MOD Single : A 49 SER OG : rot 7:sc= -0.386 USER MOD Single : A 59 THR OG1 : rot -127:sc= 0.54 USER MOD Single : B 1 MET CE :methyl -139:sc= -0.167 (180deg=-0.759) USER MOD Single : B 1 MET N :NH3+ -117:sc= 0.119 (180deg=0) USER MOD Single : B 2 TYR OH : rot 180:sc= -0.136 USER MOD Single : B 3 LYS NZ :NH3+ -172:sc=-0.00827 (180deg=-0.0826) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -173:sc= 0.449 (180deg=0.293) USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 25 THR OG1 : rot 170:sc= -0.2 USER MOD Single : B 26 MET CE :methyl -139:sc= -6.44! (180deg=-9.93!) USER MOD Single : B 28 SER OG : rot 105:sc= 0.092 USER MOD Single : B 29 SER OG : rot 176:sc= -0.23 USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.025) USER MOD Single : B 37 SER OG : rot 180:sc=0.000208 USER MOD Single : B 40 HIS :FLIP no HE2:sc= 0.143 F(o=-0.56,f=0.14) USER MOD Single : B 44 SER OG : rot -130:sc= -0.0999 USER MOD Single : B 48 ASN :FLIP amide:sc= -0.898 F(o=-2.4,f=-0.9) USER MOD Single : B 49 SER OG : rot 7:sc= -0.312 USER MOD Single : B 54 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 THR OG1 : rot -58:sc= 0.352 USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 THR OG1 : rot 29:sc= 0.0607 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.558 7.792 10.462 1.00 0.00 N ATOM 2 CA MET A 1 -11.759 8.023 9.239 1.00 0.00 C ATOM 3 C MET A 1 -10.891 6.788 8.944 1.00 0.00 C ATOM 4 O MET A 1 -10.600 5.995 9.849 1.00 0.00 O ATOM 5 CB MET A 1 -10.872 9.294 9.414 1.00 0.00 C ATOM 6 CG MET A 1 -10.084 9.720 8.164 1.00 0.00 C ATOM 7 SD MET A 1 -8.977 11.121 8.467 1.00 0.00 S ATOM 8 CE MET A 1 -7.908 10.486 9.762 1.00 0.00 C ATOM 0 H1 MET A 1 -13.566 7.738 10.213 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.263 6.899 10.906 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.408 8.576 11.128 1.00 0.00 H new ATOM 0 HA MET A 1 -12.429 8.186 8.395 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.510 10.123 9.722 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.166 9.116 10.226 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.499 8.873 7.804 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.785 9.983 7.372 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.998 11.084 9.808 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.426 10.539 10.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.651 9.449 9.546 1.00 0.00 H new ATOM 18 N TYR A 2 -10.505 6.614 7.665 1.00 0.00 N ATOM 19 CA TYR A 2 -9.581 5.553 7.248 1.00 0.00 C ATOM 20 C TYR A 2 -8.143 5.815 7.740 1.00 0.00 C ATOM 21 O TYR A 2 -7.776 6.950 8.087 1.00 0.00 O ATOM 22 CB TYR A 2 -9.635 5.322 5.711 1.00 0.00 C ATOM 23 CG TYR A 2 -9.659 6.576 4.808 1.00 0.00 C ATOM 24 CD1 TYR A 2 -8.674 7.567 4.881 1.00 0.00 C ATOM 25 CD2 TYR A 2 -10.675 6.750 3.863 1.00 0.00 C ATOM 26 CE1 TYR A 2 -8.706 8.675 4.052 1.00 0.00 C ATOM 27 CE2 TYR A 2 -10.708 7.847 3.036 1.00 0.00 C ATOM 28 CZ TYR A 2 -9.724 8.808 3.130 1.00 0.00 C ATOM 29 OH TYR A 2 -9.753 9.901 2.293 1.00 0.00 O ATOM 0 H TYR A 2 -10.826 7.205 6.898 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.913 4.631 7.725 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.771 4.720 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -10.523 4.729 5.490 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.873 7.465 5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -11.452 6.005 3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.939 9.431 4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.503 7.956 2.314 1.00 0.00 H new ATOM 0 HH TYR A 2 -10.534 9.841 1.704 1.00 0.00 H new ATOM 39 N LYS A 3 -7.333 4.748 7.708 1.00 0.00 N ATOM 40 CA LYS A 3 -6.015 4.701 8.348 1.00 0.00 C ATOM 41 C LYS A 3 -5.193 3.510 7.820 1.00 0.00 C ATOM 42 O LYS A 3 -5.661 2.739 6.968 1.00 0.00 O ATOM 43 CB LYS A 3 -6.147 4.677 9.919 1.00 0.00 C ATOM 44 CG LYS A 3 -7.264 3.790 10.532 1.00 0.00 C ATOM 45 CD LYS A 3 -7.056 2.272 10.338 1.00 0.00 C ATOM 46 CE LYS A 3 -8.097 1.435 11.096 1.00 0.00 C ATOM 47 NZ LYS A 3 -9.488 1.750 10.689 1.00 0.00 N ATOM 0 H LYS A 3 -7.580 3.882 7.229 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.475 5.611 8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.193 4.349 10.332 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.306 5.700 10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.333 4.001 11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.219 4.073 10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.107 2.034 9.275 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.057 1.999 10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.903 0.377 10.923 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.987 1.608 12.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.147 1.123 11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -9.703 2.740 10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.590 1.608 9.664 1.00 0.00 H new ATOM 61 N PHE A 4 -3.973 3.381 8.355 1.00 0.00 N ATOM 62 CA PHE A 4 -3.033 2.312 8.018 1.00 0.00 C ATOM 63 C PHE A 4 -3.065 1.247 9.111 1.00 0.00 C ATOM 64 O PHE A 4 -2.825 1.551 10.274 1.00 0.00 O ATOM 65 CB PHE A 4 -1.601 2.882 7.866 1.00 0.00 C ATOM 66 CG PHE A 4 -1.455 3.814 6.672 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.764 5.172 6.776 1.00 0.00 C ATOM 68 CD2 PHE A 4 -1.022 3.325 5.439 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.639 6.007 5.686 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.897 4.162 4.354 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.205 5.499 4.478 1.00 0.00 C ATOM 0 H PHE A 4 -3.606 4.032 9.049 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.325 1.863 7.069 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.332 3.420 8.775 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.896 2.057 7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.104 5.572 7.720 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.782 2.277 5.335 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.880 7.056 5.777 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.558 3.771 3.406 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.106 6.154 3.625 1.00 0.00 H new ATOM 81 N GLU A 5 -3.389 0.010 8.732 1.00 0.00 N ATOM 82 CA GLU A 5 -3.365 -1.137 9.648 1.00 0.00 C ATOM 83 C GLU A 5 -2.072 -1.917 9.428 1.00 0.00 C ATOM 84 O GLU A 5 -1.908 -2.556 8.386 1.00 0.00 O ATOM 85 CB GLU A 5 -4.606 -2.036 9.439 1.00 0.00 C ATOM 86 CG GLU A 5 -5.936 -1.303 9.681 1.00 0.00 C ATOM 87 CD GLU A 5 -7.128 -2.245 9.863 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.508 -2.912 8.899 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.695 -2.316 10.975 1.00 0.00 O ATOM 0 H GLU A 5 -3.676 -0.228 7.782 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.398 -0.782 10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.595 -2.428 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.543 -2.892 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.840 -0.676 10.567 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.134 -0.638 8.840 1.00 0.00 H new ATOM 96 N ILE A 6 -1.161 -1.854 10.414 1.00 0.00 N ATOM 97 CA ILE A 6 0.163 -2.480 10.343 1.00 0.00 C ATOM 98 C ILE A 6 0.091 -3.831 11.036 1.00 0.00 C ATOM 99 O ILE A 6 -0.203 -3.910 12.235 1.00 0.00 O ATOM 100 CB ILE A 6 1.258 -1.618 11.058 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.198 -0.149 10.558 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.684 -2.232 10.872 1.00 0.00 C ATOM 103 CD1 ILE A 6 1.956 0.828 11.423 1.00 0.00 C ATOM 0 H ILE A 6 -1.329 -1.361 11.291 1.00 0.00 H new ATOM 0 HA ILE A 6 0.438 -2.577 9.293 1.00 0.00 H new ATOM 0 HB ILE A 6 1.050 -1.622 12.128 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.596 -0.105 9.544 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.155 0.163 10.505 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.418 -1.608 11.381 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.706 -3.236 11.295 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.923 -2.281 9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.864 1.831 11.006 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.544 0.816 12.432 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.008 0.544 11.457 1.00 0.00 H new ATOM 115 N TYR A 7 0.367 -4.871 10.291 1.00 0.00 N ATOM 116 CA TYR A 7 0.323 -6.238 10.785 1.00 0.00 C ATOM 117 C TYR A 7 1.479 -7.023 10.181 1.00 0.00 C ATOM 118 O TYR A 7 2.140 -6.553 9.262 1.00 0.00 O ATOM 119 CB TYR A 7 -1.041 -6.879 10.439 1.00 0.00 C ATOM 120 CG TYR A 7 -1.355 -6.874 8.930 1.00 0.00 C ATOM 121 CD1 TYR A 7 -0.972 -7.933 8.095 1.00 0.00 C ATOM 122 CD2 TYR A 7 -1.996 -5.782 8.337 1.00 0.00 C ATOM 123 CE1 TYR A 7 -1.218 -7.892 6.738 1.00 0.00 C ATOM 124 CE2 TYR A 7 -2.246 -5.747 6.986 1.00 0.00 C ATOM 125 CZ TYR A 7 -1.854 -6.799 6.191 1.00 0.00 C ATOM 126 OH TYR A 7 -2.107 -6.761 4.840 1.00 0.00 O ATOM 0 H TYR A 7 0.633 -4.799 9.309 1.00 0.00 H new ATOM 0 HA TYR A 7 0.427 -6.249 11.870 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.053 -7.907 10.802 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.830 -6.345 10.968 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.477 -8.794 8.520 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.301 -4.949 8.953 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.913 -8.714 6.107 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.749 -4.896 6.550 1.00 0.00 H new ATOM 0 HH TYR A 7 -2.918 -6.237 4.674 1.00 0.00 H new ATOM 136 N GLN A 8 1.712 -8.222 10.693 1.00 0.00 N ATOM 137 CA GLN A 8 2.659 -9.164 10.075 1.00 0.00 C ATOM 138 C GLN A 8 1.867 -10.351 9.528 1.00 0.00 C ATOM 139 O GLN A 8 0.810 -10.706 10.070 1.00 0.00 O ATOM 140 CB GLN A 8 3.768 -9.615 11.071 1.00 0.00 C ATOM 141 CG GLN A 8 3.369 -10.687 12.097 1.00 0.00 C ATOM 142 CD GLN A 8 4.362 -10.789 13.263 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.208 -10.142 14.301 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.408 -11.580 13.089 1.00 0.00 N ATOM 0 H GLN A 8 1.261 -8.575 11.537 1.00 0.00 H new ATOM 0 HA GLN A 8 3.183 -8.668 9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.613 -9.992 10.494 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.118 -8.737 11.613 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.378 -10.459 12.488 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.300 -11.654 11.598 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.512 -12.105 12.220 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.111 -11.665 13.823 1.00 0.00 H new ATOM 153 N ASP A 9 2.358 -10.923 8.435 1.00 0.00 N ATOM 154 CA ASP A 9 1.827 -12.170 7.876 1.00 0.00 C ATOM 155 C ASP A 9 2.331 -13.329 8.752 1.00 0.00 C ATOM 156 O ASP A 9 3.318 -13.139 9.467 1.00 0.00 O ATOM 157 CB ASP A 9 2.315 -12.306 6.410 1.00 0.00 C ATOM 158 CG ASP A 9 1.763 -13.527 5.656 1.00 0.00 C ATOM 159 OD1 ASP A 9 2.370 -14.616 5.727 1.00 0.00 O ATOM 160 OD2 ASP A 9 0.729 -13.399 4.969 1.00 0.00 O ATOM 0 H ASP A 9 3.140 -10.536 7.906 1.00 0.00 H new ATOM 0 HA ASP A 9 0.737 -12.180 7.870 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.037 -11.404 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.404 -12.357 6.408 1.00 0.00 H new ATOM 165 N LYS A 10 1.664 -14.502 8.689 1.00 0.00 N ATOM 166 CA LYS A 10 2.048 -15.720 9.454 1.00 0.00 C ATOM 167 C LYS A 10 3.543 -16.086 9.253 1.00 0.00 C ATOM 168 O LYS A 10 4.204 -16.575 10.164 1.00 0.00 O ATOM 169 CB LYS A 10 1.079 -16.904 9.128 1.00 0.00 C ATOM 170 CG LYS A 10 0.992 -17.354 7.637 1.00 0.00 C ATOM 171 CD LYS A 10 2.110 -18.339 7.191 1.00 0.00 C ATOM 172 CE LYS A 10 2.029 -19.699 7.900 1.00 0.00 C ATOM 173 NZ LYS A 10 0.785 -20.439 7.571 1.00 0.00 N ATOM 0 H LYS A 10 0.839 -14.637 8.104 1.00 0.00 H new ATOM 0 HA LYS A 10 1.941 -15.502 10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.382 -17.764 9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.078 -16.624 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.023 -17.825 7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.031 -16.469 7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.043 -18.492 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.083 -17.889 7.389 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.892 -20.303 7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.083 -19.547 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.839 -21.401 7.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.032 -19.944 7.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.675 -20.492 6.538 1.00 0.00 H new ATOM 187 N ALA A 11 4.040 -15.808 8.030 1.00 0.00 N ATOM 188 CA ALA A 11 5.467 -15.972 7.634 1.00 0.00 C ATOM 189 C ALA A 11 6.397 -14.901 8.288 1.00 0.00 C ATOM 190 O ALA A 11 7.586 -14.826 7.962 1.00 0.00 O ATOM 191 CB ALA A 11 5.564 -15.917 6.099 1.00 0.00 C ATOM 0 H ALA A 11 3.456 -15.456 7.271 1.00 0.00 H new ATOM 0 HA ALA A 11 5.815 -16.939 7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.604 -16.036 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.966 -16.720 5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.190 -14.956 5.745 1.00 0.00 H new ATOM 197 N GLY A 12 5.838 -14.108 9.217 1.00 0.00 N ATOM 198 CA GLY A 12 6.526 -13.005 9.879 1.00 0.00 C ATOM 199 C GLY A 12 6.804 -11.838 8.952 1.00 0.00 C ATOM 200 O GLY A 12 7.758 -11.089 9.166 1.00 0.00 O ATOM 0 H GLY A 12 4.874 -14.225 9.530 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.923 -12.659 10.718 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.468 -13.367 10.291 1.00 0.00 H new ATOM 204 N GLU A 13 5.941 -11.662 7.937 1.00 0.00 N ATOM 205 CA GLU A 13 6.147 -10.642 6.888 1.00 0.00 C ATOM 206 C GLU A 13 5.434 -9.346 7.282 1.00 0.00 C ATOM 207 O GLU A 13 4.246 -9.178 6.997 1.00 0.00 O ATOM 208 CB GLU A 13 5.654 -11.164 5.511 1.00 0.00 C ATOM 209 CG GLU A 13 6.507 -12.298 4.906 1.00 0.00 C ATOM 210 CD GLU A 13 7.924 -11.838 4.534 1.00 0.00 C ATOM 211 OE1 GLU A 13 8.094 -11.212 3.465 1.00 0.00 O ATOM 212 OE2 GLU A 13 8.877 -12.079 5.306 1.00 0.00 O ATOM 0 H GLU A 13 5.091 -12.213 7.818 1.00 0.00 H new ATOM 0 HA GLU A 13 7.213 -10.434 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.628 -11.517 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.632 -10.331 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.571 -13.119 5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.010 -12.686 4.017 1.00 0.00 H new ATOM 219 N TYR A 14 6.148 -8.485 8.034 1.00 0.00 N ATOM 220 CA TYR A 14 5.640 -7.170 8.455 1.00 0.00 C ATOM 221 C TYR A 14 5.259 -6.296 7.252 1.00 0.00 C ATOM 222 O TYR A 14 6.041 -6.112 6.319 1.00 0.00 O ATOM 223 CB TYR A 14 6.656 -6.445 9.358 1.00 0.00 C ATOM 224 CG TYR A 14 6.870 -7.147 10.701 1.00 0.00 C ATOM 225 CD1 TYR A 14 6.027 -6.893 11.787 1.00 0.00 C ATOM 226 CD2 TYR A 14 7.889 -8.087 10.874 1.00 0.00 C ATOM 227 CE1 TYR A 14 6.201 -7.545 12.991 1.00 0.00 C ATOM 228 CE2 TYR A 14 8.058 -8.745 12.076 1.00 0.00 C ATOM 229 CZ TYR A 14 7.214 -8.470 13.129 1.00 0.00 C ATOM 230 OH TYR A 14 7.376 -9.126 14.326 1.00 0.00 O ATOM 0 H TYR A 14 7.092 -8.684 8.365 1.00 0.00 H new ATOM 0 HA TYR A 14 4.734 -7.345 9.035 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.610 -6.372 8.836 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.312 -5.426 9.537 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.227 -6.175 11.682 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.556 -8.303 10.053 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.546 -7.331 13.822 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.848 -9.472 12.190 1.00 0.00 H new ATOM 0 HH TYR A 14 7.468 -10.088 14.162 1.00 0.00 H new ATOM 240 N ARG A 15 4.041 -5.766 7.340 1.00 0.00 N ATOM 241 CA ARG A 15 3.321 -5.074 6.273 1.00 0.00 C ATOM 242 C ARG A 15 2.335 -4.069 6.879 1.00 0.00 C ATOM 243 O ARG A 15 2.189 -3.967 8.099 1.00 0.00 O ATOM 244 CB ARG A 15 2.548 -6.099 5.394 1.00 0.00 C ATOM 245 CG ARG A 15 3.418 -7.116 4.628 1.00 0.00 C ATOM 246 CD ARG A 15 2.625 -8.349 4.208 1.00 0.00 C ATOM 247 NE ARG A 15 3.437 -9.269 3.394 1.00 0.00 N ATOM 248 CZ ARG A 15 3.065 -10.494 3.009 1.00 0.00 C ATOM 249 NH1 ARG A 15 1.891 -10.986 3.352 1.00 0.00 N ATOM 250 NH2 ARG A 15 3.896 -11.233 2.299 1.00 0.00 N ATOM 0 H ARG A 15 3.501 -5.810 8.204 1.00 0.00 H new ATOM 0 HA ARG A 15 4.041 -4.544 5.650 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.857 -6.649 6.033 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.945 -5.548 4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.839 -6.638 3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.256 -7.421 5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.265 -8.870 5.095 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.746 -8.041 3.641 1.00 0.00 H new ATOM 0 HE ARG A 15 4.358 -8.945 3.100 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.251 -10.430 3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.623 -11.923 3.050 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.815 -10.869 2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.619 -12.169 2.002 1.00 0.00 H new ATOM 264 N PHE A 16 1.652 -3.356 5.996 1.00 0.00 N ATOM 265 CA PHE A 16 0.564 -2.447 6.348 1.00 0.00 C ATOM 266 C PHE A 16 -0.414 -2.370 5.181 1.00 0.00 C ATOM 267 O PHE A 16 -0.050 -2.640 4.041 1.00 0.00 O ATOM 268 CB PHE A 16 1.097 -1.037 6.740 1.00 0.00 C ATOM 269 CG PHE A 16 1.951 -0.327 5.681 1.00 0.00 C ATOM 270 CD1 PHE A 16 3.337 -0.497 5.649 1.00 0.00 C ATOM 271 CD2 PHE A 16 1.369 0.522 4.734 1.00 0.00 C ATOM 272 CE1 PHE A 16 4.109 0.152 4.706 1.00 0.00 C ATOM 273 CE2 PHE A 16 2.143 1.168 3.790 1.00 0.00 C ATOM 274 CZ PHE A 16 3.514 0.986 3.778 1.00 0.00 C ATOM 0 H PHE A 16 1.840 -3.392 4.994 1.00 0.00 H new ATOM 0 HA PHE A 16 0.046 -2.835 7.225 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.245 -0.401 6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.688 -1.133 7.651 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.811 -1.145 6.372 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.300 0.674 4.741 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.179 0.008 4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.678 1.815 3.061 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.120 1.496 3.043 1.00 0.00 H new ATOM 284 N ARG A 17 -1.655 -2.015 5.469 1.00 0.00 N ATOM 285 CA ARG A 17 -2.674 -1.787 4.443 1.00 0.00 C ATOM 286 C ARG A 17 -3.340 -0.439 4.682 1.00 0.00 C ATOM 287 O ARG A 17 -3.296 0.084 5.794 1.00 0.00 O ATOM 288 CB ARG A 17 -3.698 -2.950 4.430 1.00 0.00 C ATOM 289 CG ARG A 17 -4.580 -3.118 5.685 1.00 0.00 C ATOM 290 CD ARG A 17 -5.506 -4.340 5.540 1.00 0.00 C ATOM 291 NE ARG A 17 -6.431 -4.508 6.667 1.00 0.00 N ATOM 292 CZ ARG A 17 -7.493 -5.332 6.670 1.00 0.00 C ATOM 293 NH1 ARG A 17 -7.843 -6.016 5.584 1.00 0.00 N ATOM 294 NH2 ARG A 17 -8.224 -5.440 7.759 1.00 0.00 N ATOM 0 H ARG A 17 -1.991 -1.875 6.422 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.208 -1.763 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.354 -2.815 3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.153 -3.880 4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.949 -3.236 6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.177 -2.219 5.839 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.081 -4.243 4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.897 -5.239 5.443 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.255 -3.960 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.301 -5.921 4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.653 -6.635 5.610 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.983 -4.901 8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.032 -6.063 7.771 1.00 0.00 H new ATOM 308 N PHE A 18 -3.960 0.120 3.637 1.00 0.00 N ATOM 309 CA PHE A 18 -4.686 1.397 3.751 1.00 0.00 C ATOM 310 C PHE A 18 -6.157 1.112 3.491 1.00 0.00 C ATOM 311 O PHE A 18 -6.519 0.394 2.541 1.00 0.00 O ATOM 312 CB PHE A 18 -4.133 2.476 2.792 1.00 0.00 C ATOM 313 CG PHE A 18 -4.757 3.867 2.935 1.00 0.00 C ATOM 314 CD1 PHE A 18 -5.005 4.422 4.190 1.00 0.00 C ATOM 315 CD2 PHE A 18 -5.070 4.628 1.811 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.550 5.681 4.312 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.612 5.890 1.932 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.853 6.413 3.183 1.00 0.00 C ATOM 0 H PHE A 18 -3.976 -0.288 2.702 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.551 1.807 4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.058 2.561 2.950 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.278 2.135 1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.766 3.857 5.079 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.885 4.222 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.740 6.095 5.291 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.847 6.466 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.281 7.400 3.280 1.00 0.00 H new ATOM 328 N LYS A 19 -6.987 1.647 4.377 1.00 0.00 N ATOM 329 CA LYS A 19 -8.411 1.356 4.431 1.00 0.00 C ATOM 330 C LYS A 19 -9.234 2.446 3.731 1.00 0.00 C ATOM 331 O LYS A 19 -8.693 3.423 3.195 1.00 0.00 O ATOM 332 CB LYS A 19 -8.825 1.189 5.929 1.00 0.00 C ATOM 333 CG LYS A 19 -8.041 0.069 6.668 1.00 0.00 C ATOM 334 CD LYS A 19 -8.228 -1.315 5.981 1.00 0.00 C ATOM 335 CE LYS A 19 -9.646 -1.892 6.154 1.00 0.00 C ATOM 336 NZ LYS A 19 -9.880 -2.428 7.511 1.00 0.00 N ATOM 0 H LYS A 19 -6.682 2.308 5.091 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.616 0.430 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.668 2.134 6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.891 0.970 5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.981 0.323 6.693 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.379 0.010 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.010 -1.218 4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.504 -2.018 6.392 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.379 -1.113 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.804 -2.684 5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.353 -3.352 7.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.970 -2.540 8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.482 -1.770 8.045 1.00 0.00 H new ATOM 350 N ALA A 20 -10.553 2.246 3.756 1.00 0.00 N ATOM 351 CA ALA A 20 -11.559 3.188 3.259 1.00 0.00 C ATOM 352 C ALA A 20 -12.681 3.265 4.305 1.00 0.00 C ATOM 353 O ALA A 20 -12.809 2.345 5.125 1.00 0.00 O ATOM 354 CB ALA A 20 -12.090 2.757 1.881 1.00 0.00 C ATOM 0 H ALA A 20 -10.965 1.394 4.136 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.119 4.175 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.835 3.475 1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.266 2.720 1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.546 1.770 1.959 1.00 0.00 H new ATOM 360 N SER A 21 -13.447 4.374 4.277 1.00 0.00 N ATOM 361 CA SER A 21 -14.517 4.713 5.258 1.00 0.00 C ATOM 362 C SER A 21 -15.352 3.508 5.787 1.00 0.00 C ATOM 363 O SER A 21 -15.613 3.416 6.990 1.00 0.00 O ATOM 364 CB SER A 21 -15.470 5.760 4.638 1.00 0.00 C ATOM 365 OG SER A 21 -14.750 6.900 4.185 1.00 0.00 O ATOM 0 H SER A 21 -13.341 5.084 3.553 1.00 0.00 H new ATOM 0 HA SER A 21 -13.991 5.104 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 21 -16.013 5.314 3.805 1.00 0.00 H new ATOM 0 HB3 SER A 21 -16.212 6.064 5.376 1.00 0.00 H new ATOM 0 HG SER A 21 -15.374 7.547 3.795 1.00 0.00 H new ATOM 371 N ASN A 22 -15.731 2.577 4.885 1.00 0.00 N ATOM 372 CA ASN A 22 -16.642 1.445 5.220 1.00 0.00 C ATOM 373 C ASN A 22 -15.886 0.189 5.712 1.00 0.00 C ATOM 374 O ASN A 22 -16.465 -0.900 5.767 1.00 0.00 O ATOM 375 CB ASN A 22 -17.520 1.085 3.993 1.00 0.00 C ATOM 376 CG ASN A 22 -18.353 2.261 3.494 1.00 0.00 C ATOM 377 OD1 ASN A 22 -19.457 2.508 3.980 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.834 2.994 2.519 1.00 0.00 N ATOM 0 H ASN A 22 -15.422 2.582 3.913 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.272 1.782 6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.879 0.731 3.185 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.184 0.262 4.257 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.352 3.791 2.149 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.916 2.761 2.139 1.00 0.00 H new ATOM 385 N GLY A 23 -14.618 0.356 6.113 1.00 0.00 N ATOM 386 CA GLY A 23 -13.766 -0.773 6.513 1.00 0.00 C ATOM 387 C GLY A 23 -13.262 -1.583 5.324 1.00 0.00 C ATOM 388 O GLY A 23 -12.838 -2.729 5.484 1.00 0.00 O ATOM 0 H GLY A 23 -14.159 1.265 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.913 -0.396 7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.327 -1.427 7.181 1.00 0.00 H new ATOM 392 N GLU A 24 -13.304 -0.968 4.131 1.00 0.00 N ATOM 393 CA GLU A 24 -12.806 -1.569 2.877 1.00 0.00 C ATOM 394 C GLU A 24 -11.283 -1.387 2.813 1.00 0.00 C ATOM 395 O GLU A 24 -10.758 -0.491 3.457 1.00 0.00 O ATOM 396 CB GLU A 24 -13.485 -0.868 1.674 1.00 0.00 C ATOM 397 CG GLU A 24 -15.024 -0.851 1.741 1.00 0.00 C ATOM 398 CD GLU A 24 -15.647 0.218 0.834 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.556 1.417 1.188 1.00 0.00 O ATOM 400 OE2 GLU A 24 -16.239 -0.122 -0.216 1.00 0.00 O ATOM 0 H GLU A 24 -13.687 -0.031 4.006 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.042 -2.633 2.844 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.124 0.159 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.178 -1.368 0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -15.406 -1.831 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.336 -0.675 2.770 1.00 0.00 H new ATOM 407 N THR A 25 -10.581 -2.242 2.069 1.00 0.00 N ATOM 408 CA THR A 25 -9.132 -2.089 1.829 1.00 0.00 C ATOM 409 C THR A 25 -8.886 -1.880 0.328 1.00 0.00 C ATOM 410 O THR A 25 -9.509 -2.544 -0.510 1.00 0.00 O ATOM 411 CB THR A 25 -8.323 -3.331 2.340 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.660 -3.618 3.699 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.803 -3.122 2.235 1.00 0.00 C ATOM 0 H THR A 25 -10.991 -3.058 1.615 1.00 0.00 H new ATOM 0 HA THR A 25 -8.783 -1.221 2.388 1.00 0.00 H new ATOM 0 HB THR A 25 -8.596 -4.169 1.699 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.031 -4.523 3.760 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.288 -4.010 2.601 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.531 -2.948 1.194 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.512 -2.260 2.835 1.00 0.00 H new ATOM 421 N MET A 26 -7.969 -0.960 0.007 1.00 0.00 N ATOM 422 CA MET A 26 -7.650 -0.581 -1.380 1.00 0.00 C ATOM 423 C MET A 26 -6.205 -0.980 -1.774 1.00 0.00 C ATOM 424 O MET A 26 -5.902 -1.067 -2.968 1.00 0.00 O ATOM 425 CB MET A 26 -7.986 0.922 -1.616 1.00 0.00 C ATOM 426 CG MET A 26 -7.663 1.858 -0.438 1.00 0.00 C ATOM 427 SD MET A 26 -5.929 1.880 -0.014 1.00 0.00 S ATOM 428 CE MET A 26 -5.294 2.644 -1.473 1.00 0.00 C ATOM 0 H MET A 26 -7.423 -0.453 0.704 1.00 0.00 H new ATOM 0 HA MET A 26 -8.284 -1.151 -2.059 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.439 1.267 -2.494 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.048 1.009 -1.848 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.982 2.870 -0.688 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.240 1.548 0.433 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.333 2.198 -1.728 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.993 2.494 -2.296 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.164 3.712 -1.297 1.00 0.00 H new ATOM 438 N PHE A 27 -5.315 -1.238 -0.784 1.00 0.00 N ATOM 439 CA PHE A 27 -4.047 -1.975 -1.038 1.00 0.00 C ATOM 440 C PHE A 27 -3.547 -2.677 0.230 1.00 0.00 C ATOM 441 O PHE A 27 -3.866 -2.277 1.354 1.00 0.00 O ATOM 442 CB PHE A 27 -2.887 -1.092 -1.635 1.00 0.00 C ATOM 443 CG PHE A 27 -2.123 -0.186 -0.625 1.00 0.00 C ATOM 444 CD1 PHE A 27 -1.083 -0.681 0.178 1.00 0.00 C ATOM 445 CD2 PHE A 27 -2.464 1.132 -0.473 1.00 0.00 C ATOM 446 CE1 PHE A 27 -0.433 0.134 1.088 1.00 0.00 C ATOM 447 CE2 PHE A 27 -1.820 1.952 0.426 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.804 1.456 1.213 1.00 0.00 C ATOM 0 H PHE A 27 -5.447 -0.952 0.186 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.306 -2.711 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.166 -1.753 -2.116 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.307 -0.457 -2.415 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.785 -1.715 0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.262 1.540 -1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.363 -0.265 1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.112 2.988 0.515 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.302 2.098 1.922 1.00 0.00 H new ATOM 458 N SER A 28 -2.670 -3.659 -0.009 1.00 0.00 N ATOM 459 CA SER A 28 -1.864 -4.343 1.015 1.00 0.00 C ATOM 460 C SER A 28 -0.391 -4.220 0.595 1.00 0.00 C ATOM 461 O SER A 28 -0.073 -4.455 -0.567 1.00 0.00 O ATOM 462 CB SER A 28 -2.286 -5.818 1.146 1.00 0.00 C ATOM 463 OG SER A 28 -1.498 -6.497 2.107 1.00 0.00 O ATOM 0 H SER A 28 -2.494 -4.012 -0.950 1.00 0.00 H new ATOM 0 HA SER A 28 -2.015 -3.886 1.993 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.337 -5.874 1.430 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.190 -6.313 0.179 1.00 0.00 H new ATOM 0 HG SER A 28 -1.939 -6.454 2.981 1.00 0.00 H new ATOM 469 N SER A 29 0.510 -3.839 1.512 1.00 0.00 N ATOM 470 CA SER A 29 1.890 -3.476 1.140 1.00 0.00 C ATOM 471 C SER A 29 2.843 -4.664 1.274 1.00 0.00 C ATOM 472 O SER A 29 2.516 -5.693 1.870 1.00 0.00 O ATOM 473 CB SER A 29 2.408 -2.299 1.997 1.00 0.00 C ATOM 474 OG SER A 29 2.611 -2.671 3.341 1.00 0.00 O ATOM 0 H SER A 29 0.312 -3.774 2.511 1.00 0.00 H new ATOM 0 HA SER A 29 1.863 -3.170 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.344 -1.931 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.694 -1.477 1.953 1.00 0.00 H new ATOM 0 HG SER A 29 2.772 -1.870 3.882 1.00 0.00 H new ATOM 480 N GLU A 30 4.031 -4.474 0.702 1.00 0.00 N ATOM 481 CA GLU A 30 5.188 -5.350 0.868 1.00 0.00 C ATOM 482 C GLU A 30 5.799 -5.137 2.275 1.00 0.00 C ATOM 483 O GLU A 30 6.517 -5.989 2.793 1.00 0.00 O ATOM 484 CB GLU A 30 6.196 -5.002 -0.255 1.00 0.00 C ATOM 485 CG GLU A 30 7.503 -5.803 -0.259 1.00 0.00 C ATOM 486 CD GLU A 30 8.457 -5.353 -1.373 1.00 0.00 C ATOM 487 OE1 GLU A 30 8.842 -4.164 -1.382 1.00 0.00 O ATOM 488 OE2 GLU A 30 8.819 -6.170 -2.247 1.00 0.00 O ATOM 0 H GLU A 30 4.220 -3.680 0.090 1.00 0.00 H new ATOM 0 HA GLU A 30 4.911 -6.401 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.702 -5.146 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.443 -3.943 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.997 -5.693 0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.277 -6.862 -0.383 1.00 0.00 H new ATOM 495 N GLY A 31 5.487 -3.963 2.881 1.00 0.00 N ATOM 496 CA GLY A 31 5.870 -3.629 4.261 1.00 0.00 C ATOM 497 C GLY A 31 7.289 -3.122 4.445 1.00 0.00 C ATOM 498 O GLY A 31 7.650 -2.720 5.564 1.00 0.00 O ATOM 0 H GLY A 31 4.960 -3.223 2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.182 -2.872 4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.737 -4.516 4.880 1.00 0.00 H new ATOM 502 N TYR A 32 8.089 -3.222 3.361 1.00 0.00 N ATOM 503 CA TYR A 32 9.469 -2.718 3.271 1.00 0.00 C ATOM 504 C TYR A 32 10.438 -3.737 3.908 1.00 0.00 C ATOM 505 O TYR A 32 11.297 -4.292 3.215 1.00 0.00 O ATOM 506 CB TYR A 32 9.613 -1.289 3.881 1.00 0.00 C ATOM 507 CG TYR A 32 10.979 -0.633 3.662 1.00 0.00 C ATOM 508 CD1 TYR A 32 11.260 0.043 2.480 1.00 0.00 C ATOM 509 CD2 TYR A 32 11.975 -0.684 4.636 1.00 0.00 C ATOM 510 CE1 TYR A 32 12.482 0.640 2.272 1.00 0.00 C ATOM 511 CE2 TYR A 32 13.196 -0.087 4.434 1.00 0.00 C ATOM 512 CZ TYR A 32 13.441 0.577 3.250 1.00 0.00 C ATOM 513 OH TYR A 32 14.653 1.189 3.047 1.00 0.00 O ATOM 0 H TYR A 32 7.778 -3.671 2.499 1.00 0.00 H new ATOM 0 HA TYR A 32 9.734 -2.612 2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 32 8.844 -0.647 3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.420 -1.345 4.952 1.00 0.00 H new ATOM 0 HD1 TYR A 32 10.505 0.101 1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 32 11.784 -1.201 5.565 1.00 0.00 H new ATOM 0 HE1 TYR A 32 12.685 1.155 1.344 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.959 -0.137 5.197 1.00 0.00 H new ATOM 0 HH TYR A 32 15.223 1.055 3.833 1.00 0.00 H new ATOM 523 N LYS A 33 10.271 -3.996 5.225 1.00 0.00 N ATOM 524 CA LYS A 33 11.093 -4.978 5.961 1.00 0.00 C ATOM 525 C LYS A 33 10.433 -5.360 7.298 1.00 0.00 C ATOM 526 O LYS A 33 9.929 -6.469 7.463 1.00 0.00 O ATOM 527 CB LYS A 33 12.531 -4.418 6.196 1.00 0.00 C ATOM 528 CG LYS A 33 13.496 -5.367 6.942 1.00 0.00 C ATOM 529 CD LYS A 33 13.699 -6.713 6.215 1.00 0.00 C ATOM 530 CE LYS A 33 14.711 -7.622 6.931 1.00 0.00 C ATOM 531 NZ LYS A 33 14.838 -8.928 6.251 1.00 0.00 N ATOM 0 H LYS A 33 9.568 -3.533 5.802 1.00 0.00 H new ATOM 0 HA LYS A 33 11.168 -5.881 5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.968 -4.168 5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.453 -3.489 6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.461 -4.875 7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.109 -5.556 7.943 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.742 -7.229 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.041 -6.525 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.684 -7.131 6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.397 -7.777 7.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.528 -9.518 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.914 -9.406 6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 15.161 -8.780 5.274 1.00 0.00 H new ATOM 545 N ALA A 34 10.420 -4.410 8.233 1.00 0.00 N ATOM 546 CA ALA A 34 10.032 -4.646 9.639 1.00 0.00 C ATOM 547 C ALA A 34 8.898 -3.693 10.011 1.00 0.00 C ATOM 548 O ALA A 34 8.507 -2.881 9.178 1.00 0.00 O ATOM 549 CB ALA A 34 11.250 -4.443 10.542 1.00 0.00 C ATOM 0 H ALA A 34 10.680 -3.442 8.042 1.00 0.00 H new ATOM 0 HA ALA A 34 9.679 -5.669 9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.966 -4.617 11.580 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.034 -5.145 10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.618 -3.423 10.432 1.00 0.00 H new ATOM 555 N LYS A 35 8.352 -3.782 11.248 1.00 0.00 N ATOM 556 CA LYS A 35 7.245 -2.902 11.673 1.00 0.00 C ATOM 557 C LYS A 35 7.739 -1.456 11.852 1.00 0.00 C ATOM 558 O LYS A 35 7.070 -0.537 11.415 1.00 0.00 O ATOM 559 CB LYS A 35 6.501 -3.411 12.954 1.00 0.00 C ATOM 560 CG LYS A 35 7.323 -3.518 14.270 1.00 0.00 C ATOM 561 CD LYS A 35 8.297 -4.720 14.293 1.00 0.00 C ATOM 562 CE LYS A 35 8.924 -4.971 15.677 1.00 0.00 C ATOM 563 NZ LYS A 35 9.716 -3.821 16.176 1.00 0.00 N ATOM 0 H LYS A 35 8.658 -4.447 11.959 1.00 0.00 H new ATOM 0 HA LYS A 35 6.506 -2.926 10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.657 -2.747 13.138 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.089 -4.396 12.734 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.890 -2.598 14.411 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.636 -3.601 15.112 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.764 -5.616 13.975 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.092 -4.548 13.568 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.133 -5.197 16.392 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.566 -5.850 15.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.111 -4.051 17.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.491 -3.619 15.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.102 -2.985 16.256 1.00 0.00 H new ATOM 577 N ALA A 36 8.926 -1.273 12.473 1.00 0.00 N ATOM 578 CA ALA A 36 9.563 0.062 12.614 1.00 0.00 C ATOM 579 C ALA A 36 9.809 0.685 11.233 1.00 0.00 C ATOM 580 O ALA A 36 9.519 1.863 11.004 1.00 0.00 O ATOM 581 CB ALA A 36 10.881 -0.032 13.406 1.00 0.00 C ATOM 0 H ALA A 36 9.466 -2.033 12.886 1.00 0.00 H new ATOM 0 HA ALA A 36 8.882 0.704 13.172 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.325 0.960 13.493 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.680 -0.428 14.401 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.572 -0.694 12.885 1.00 0.00 H new ATOM 587 N SER A 37 10.293 -0.160 10.304 1.00 0.00 N ATOM 588 CA SER A 37 10.532 0.217 8.903 1.00 0.00 C ATOM 589 C SER A 37 9.210 0.497 8.167 1.00 0.00 C ATOM 590 O SER A 37 9.171 1.298 7.228 1.00 0.00 O ATOM 591 CB SER A 37 11.296 -0.918 8.194 1.00 0.00 C ATOM 592 OG SER A 37 12.423 -1.334 8.947 1.00 0.00 O ATOM 0 H SER A 37 10.530 -1.131 10.509 1.00 0.00 H new ATOM 0 HA SER A 37 11.125 1.131 8.887 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.628 -1.765 8.038 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.619 -0.581 7.209 1.00 0.00 H new ATOM 0 HG SER A 37 12.886 -2.056 8.472 1.00 0.00 H new ATOM 598 N ALA A 38 8.136 -0.187 8.614 1.00 0.00 N ATOM 599 CA ALA A 38 6.787 -0.038 8.055 1.00 0.00 C ATOM 600 C ALA A 38 6.195 1.331 8.430 1.00 0.00 C ATOM 601 O ALA A 38 5.615 1.982 7.574 1.00 0.00 O ATOM 602 CB ALA A 38 5.853 -1.185 8.495 1.00 0.00 C ATOM 0 H ALA A 38 8.187 -0.861 9.378 1.00 0.00 H new ATOM 0 HA ALA A 38 6.872 -0.092 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.865 -1.037 8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.260 -2.137 8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.773 -1.193 9.582 1.00 0.00 H new ATOM 608 N ILE A 39 6.332 1.761 9.717 1.00 0.00 N ATOM 609 CA ILE A 39 5.963 3.133 10.156 1.00 0.00 C ATOM 610 C ILE A 39 6.734 4.189 9.334 1.00 0.00 C ATOM 611 O ILE A 39 6.132 5.151 8.872 1.00 0.00 O ATOM 612 CB ILE A 39 6.194 3.384 11.719 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.057 2.740 12.596 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.328 4.896 12.069 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.166 1.255 12.853 1.00 0.00 C ATOM 0 H ILE A 39 6.696 1.174 10.467 1.00 0.00 H new ATOM 0 HA ILE A 39 4.892 3.231 9.976 1.00 0.00 H new ATOM 0 HB ILE A 39 7.139 2.895 11.955 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.036 3.252 13.558 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.100 2.933 12.111 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.483 5.009 13.142 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.177 5.320 11.533 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.417 5.419 11.777 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.327 0.930 13.467 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.150 0.719 11.904 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.100 1.043 13.373 1.00 0.00 H new ATOM 627 N HIS A 40 8.059 3.977 9.153 1.00 0.00 N ATOM 628 CA HIS A 40 8.935 4.897 8.379 1.00 0.00 C ATOM 629 C HIS A 40 8.444 5.029 6.922 1.00 0.00 C ATOM 630 O HIS A 40 8.457 6.134 6.334 1.00 0.00 O ATOM 631 CB HIS A 40 10.417 4.435 8.420 1.00 0.00 C ATOM 632 CG HIS A 40 11.114 4.637 9.749 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.477 4.824 9.852 1.00 0.00 N ATOM 634 CD2 HIS A 40 10.645 4.668 11.020 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.807 4.956 11.120 1.00 0.00 C ATOM 636 NE2 HIS A 40 11.717 4.864 11.852 1.00 0.00 N ATOM 0 H HIS A 40 8.551 3.170 9.536 1.00 0.00 H new ATOM 0 HA HIS A 40 8.879 5.879 8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.459 3.377 8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 40 10.971 4.973 7.651 1.00 0.00 H new ATOM 0 HD2 HIS A 40 9.614 4.558 11.323 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.807 5.114 11.497 1.00 0.00 H new ATOM 0 HE2 HIS A 40 11.677 4.928 12.869 1.00 0.00 H new ATOM 645 N ALA A 41 7.980 3.899 6.359 1.00 0.00 N ATOM 646 CA ALA A 41 7.338 3.869 5.049 1.00 0.00 C ATOM 647 C ALA A 41 6.071 4.734 5.082 1.00 0.00 C ATOM 648 O ALA A 41 5.949 5.688 4.328 1.00 0.00 O ATOM 649 CB ALA A 41 7.029 2.417 4.640 1.00 0.00 C ATOM 0 H ALA A 41 8.044 2.985 6.806 1.00 0.00 H new ATOM 0 HA ALA A 41 8.012 4.281 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.550 2.409 3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.957 1.846 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.361 1.966 5.374 1.00 0.00 H new ATOM 655 N ILE A 42 5.186 4.457 6.039 1.00 0.00 N ATOM 656 CA ILE A 42 3.935 5.217 6.220 1.00 0.00 C ATOM 657 C ILE A 42 4.214 6.715 6.480 1.00 0.00 C ATOM 658 O ILE A 42 3.404 7.567 6.116 1.00 0.00 O ATOM 659 CB ILE A 42 3.071 4.610 7.369 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.738 3.125 7.048 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.770 5.424 7.597 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.200 2.343 8.215 1.00 0.00 C ATOM 0 H ILE A 42 5.309 3.702 6.713 1.00 0.00 H new ATOM 0 HA ILE A 42 3.370 5.140 5.291 1.00 0.00 H new ATOM 0 HB ILE A 42 3.650 4.658 8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.008 3.096 6.239 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.640 2.634 6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.194 4.971 8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.025 6.450 7.864 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.176 5.424 6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.995 1.319 7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.936 2.337 9.019 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.279 2.806 8.569 1.00 0.00 H new ATOM 674 N GLU A 43 5.406 7.031 7.024 1.00 0.00 N ATOM 675 CA GLU A 43 5.799 8.419 7.304 1.00 0.00 C ATOM 676 C GLU A 43 5.925 9.188 5.991 1.00 0.00 C ATOM 677 O GLU A 43 5.498 10.336 5.919 1.00 0.00 O ATOM 678 CB GLU A 43 7.108 8.504 8.124 1.00 0.00 C ATOM 679 CG GLU A 43 6.935 8.167 9.618 1.00 0.00 C ATOM 680 CD GLU A 43 8.244 8.234 10.410 1.00 0.00 C ATOM 681 OE1 GLU A 43 8.854 9.322 10.474 1.00 0.00 O ATOM 682 OE2 GLU A 43 8.696 7.203 10.941 1.00 0.00 O ATOM 0 H GLU A 43 6.112 6.340 7.277 1.00 0.00 H new ATOM 0 HA GLU A 43 5.020 8.873 7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.841 7.823 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.516 9.511 8.034 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.216 8.858 10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.513 7.166 9.711 1.00 0.00 H new ATOM 689 N SER A 44 6.453 8.507 4.943 1.00 0.00 N ATOM 690 CA SER A 44 6.500 9.050 3.564 1.00 0.00 C ATOM 691 C SER A 44 5.114 9.498 3.083 1.00 0.00 C ATOM 692 O SER A 44 4.990 10.527 2.402 1.00 0.00 O ATOM 693 CB SER A 44 7.041 7.985 2.585 1.00 0.00 C ATOM 694 OG SER A 44 8.413 7.713 2.818 1.00 0.00 O ATOM 0 H SER A 44 6.855 7.574 5.030 1.00 0.00 H new ATOM 0 HA SER A 44 7.163 9.915 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.464 7.066 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.907 8.330 1.560 1.00 0.00 H new ATOM 0 HG SER A 44 8.929 7.918 2.010 1.00 0.00 H new ATOM 700 N ILE A 45 4.080 8.711 3.452 1.00 0.00 N ATOM 701 CA ILE A 45 2.713 8.961 2.996 1.00 0.00 C ATOM 702 C ILE A 45 2.197 10.262 3.633 1.00 0.00 C ATOM 703 O ILE A 45 1.593 11.110 2.961 1.00 0.00 O ATOM 704 CB ILE A 45 1.692 7.784 3.308 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.351 6.369 3.236 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.543 7.847 2.297 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.761 5.905 1.860 1.00 0.00 C ATOM 0 H ILE A 45 4.175 7.900 4.064 1.00 0.00 H new ATOM 0 HA ILE A 45 2.764 9.038 1.910 1.00 0.00 H new ATOM 0 HB ILE A 45 1.337 7.924 4.329 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.232 6.366 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.653 5.642 3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.165 7.044 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.036 8.808 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.940 7.734 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.206 4.912 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.885 5.866 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.489 6.601 1.443 1.00 0.00 H new ATOM 719 N LYS A 46 2.481 10.404 4.939 1.00 0.00 N ATOM 720 CA LYS A 46 2.005 11.532 5.776 1.00 0.00 C ATOM 721 C LYS A 46 2.528 12.892 5.304 1.00 0.00 C ATOM 722 O LYS A 46 1.899 13.925 5.530 1.00 0.00 O ATOM 723 CB LYS A 46 2.410 11.323 7.275 1.00 0.00 C ATOM 724 CG LYS A 46 2.193 9.898 7.856 1.00 0.00 C ATOM 725 CD LYS A 46 0.821 9.282 7.492 1.00 0.00 C ATOM 726 CE LYS A 46 -0.356 10.162 7.911 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.477 10.254 9.378 1.00 0.00 N ATOM 0 H LYS A 46 3.053 9.735 5.454 1.00 0.00 H new ATOM 0 HA LYS A 46 0.920 11.539 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.464 11.580 7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.846 12.030 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.984 9.242 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.287 9.939 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.778 9.114 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.728 8.307 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.230 11.161 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.279 9.757 7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.439 9.983 9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.210 9.613 9.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.287 11.230 9.681 1.00 0.00 H new ATOM 741 N ARG A 47 3.689 12.854 4.666 1.00 0.00 N ATOM 742 CA ARG A 47 4.437 14.063 4.260 1.00 0.00 C ATOM 743 C ARG A 47 3.769 14.804 3.087 1.00 0.00 C ATOM 744 O ARG A 47 3.509 16.012 3.185 1.00 0.00 O ATOM 745 CB ARG A 47 5.897 13.704 3.925 1.00 0.00 C ATOM 746 CG ARG A 47 6.632 13.097 5.127 1.00 0.00 C ATOM 747 CD ARG A 47 8.106 12.847 4.864 1.00 0.00 C ATOM 748 NE ARG A 47 8.744 12.122 5.984 1.00 0.00 N ATOM 749 CZ ARG A 47 9.332 10.915 5.904 1.00 0.00 C ATOM 750 NH1 ARG A 47 9.406 10.256 4.752 1.00 0.00 N ATOM 751 NH2 ARG A 47 9.840 10.366 6.992 1.00 0.00 N ATOM 0 H ARG A 47 4.152 11.983 4.408 1.00 0.00 H new ATOM 0 HA ARG A 47 4.427 14.748 5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.915 12.998 3.095 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.423 14.599 3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.531 13.766 5.982 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.154 12.156 5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.220 12.271 3.945 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.615 13.798 4.709 1.00 0.00 H new ATOM 0 HE ARG A 47 8.738 12.577 6.897 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.012 10.665 3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.857 9.342 4.716 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.785 10.857 7.884 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.288 9.451 6.940 1.00 0.00 H new ATOM 765 N ASN A 48 3.477 14.070 1.993 1.00 0.00 N ATOM 766 CA ASN A 48 3.016 14.705 0.729 1.00 0.00 C ATOM 767 C ASN A 48 2.436 13.692 -0.284 1.00 0.00 C ATOM 768 O ASN A 48 2.302 14.015 -1.456 1.00 0.00 O ATOM 769 CB ASN A 48 4.174 15.543 0.087 1.00 0.00 C ATOM 770 CG ASN A 48 3.709 16.537 -0.992 1.00 0.00 C ATOM 771 OD1 ASN A 48 4.506 16.707 -2.036 1.00 0.00 O flip ATOM 772 ND2 ASN A 48 2.633 17.127 -0.892 1.00 0.00 N flip ATOM 0 H ASN A 48 3.549 13.053 1.953 1.00 0.00 H new ATOM 0 HA ASN A 48 2.195 15.372 0.992 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.689 16.093 0.874 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.901 14.860 -0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.042 16.974 -0.075 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.333 17.768 -1.626 1.00 0.00 H new ATOM 779 N SER A 49 2.079 12.477 0.153 1.00 0.00 N ATOM 780 CA SER A 49 1.548 11.441 -0.769 1.00 0.00 C ATOM 781 C SER A 49 0.168 11.821 -1.342 1.00 0.00 C ATOM 782 O SER A 49 -0.150 11.478 -2.488 1.00 0.00 O ATOM 783 CB SER A 49 1.458 10.104 -0.064 1.00 0.00 C ATOM 784 OG SER A 49 1.154 9.054 -0.951 1.00 0.00 O ATOM 0 H SER A 49 2.144 12.181 1.127 1.00 0.00 H new ATOM 0 HA SER A 49 2.245 11.370 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.404 9.894 0.434 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.694 10.155 0.711 1.00 0.00 H new ATOM 0 HG SER A 49 1.167 9.389 -1.872 1.00 0.00 H new ATOM 790 N ALA A 50 -0.642 12.528 -0.534 1.00 0.00 N ATOM 791 CA ALA A 50 -1.919 13.100 -0.989 1.00 0.00 C ATOM 792 C ALA A 50 -1.703 14.191 -2.068 1.00 0.00 C ATOM 793 O ALA A 50 -2.599 14.460 -2.874 1.00 0.00 O ATOM 794 CB ALA A 50 -2.717 13.633 0.209 1.00 0.00 C ATOM 0 H ALA A 50 -0.431 12.717 0.446 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.502 12.308 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.660 14.054 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.919 12.818 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.140 14.407 0.715 1.00 0.00 H new ATOM 800 N GLY A 51 -0.500 14.801 -2.065 1.00 0.00 N ATOM 801 CA GLY A 51 -0.092 15.782 -3.079 1.00 0.00 C ATOM 802 C GLY A 51 0.869 15.215 -4.126 1.00 0.00 C ATOM 803 O GLY A 51 1.232 15.923 -5.075 1.00 0.00 O ATOM 0 H GLY A 51 0.213 14.624 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.981 16.164 -3.582 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.382 16.629 -2.583 1.00 0.00 H new ATOM 807 N ALA A 52 1.294 13.940 -3.948 1.00 0.00 N ATOM 808 CA ALA A 52 2.179 13.225 -4.897 1.00 0.00 C ATOM 809 C ALA A 52 1.496 13.028 -6.257 1.00 0.00 C ATOM 810 O ALA A 52 0.304 13.294 -6.401 1.00 0.00 O ATOM 811 CB ALA A 52 2.614 11.865 -4.313 1.00 0.00 C ATOM 0 H ALA A 52 1.031 13.378 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 52 3.066 13.840 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.263 11.355 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.153 12.026 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.733 11.252 -4.122 1.00 0.00 H new ATOM 817 N ASP A 53 2.255 12.572 -7.258 1.00 0.00 N ATOM 818 CA ASP A 53 1.720 12.339 -8.610 1.00 0.00 C ATOM 819 C ASP A 53 1.413 10.843 -8.811 1.00 0.00 C ATOM 820 O ASP A 53 1.927 9.993 -8.083 1.00 0.00 O ATOM 821 CB ASP A 53 2.714 12.877 -9.674 1.00 0.00 C ATOM 822 CG ASP A 53 2.149 12.885 -11.109 1.00 0.00 C ATOM 823 OD1 ASP A 53 0.984 13.317 -11.302 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.867 12.497 -12.056 1.00 0.00 O ATOM 0 H ASP A 53 3.247 12.355 -7.160 1.00 0.00 H new ATOM 0 HA ASP A 53 0.783 12.882 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.007 13.892 -9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.618 12.268 -9.653 1.00 0.00 H new ATOM 829 N THR A 54 0.529 10.535 -9.764 1.00 0.00 N ATOM 830 CA THR A 54 0.164 9.153 -10.122 1.00 0.00 C ATOM 831 C THR A 54 0.665 8.845 -11.553 1.00 0.00 C ATOM 832 O THR A 54 0.149 9.390 -12.538 1.00 0.00 O ATOM 833 CB THR A 54 -1.385 8.949 -10.001 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.828 9.384 -8.701 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.804 7.484 -10.205 1.00 0.00 C ATOM 0 H THR A 54 0.040 11.240 -10.316 1.00 0.00 H new ATOM 0 HA THR A 54 0.640 8.458 -9.431 1.00 0.00 H new ATOM 0 HB THR A 54 -1.850 9.542 -10.789 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.797 9.258 -8.626 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.887 7.399 -10.111 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.499 7.153 -11.198 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.324 6.860 -9.451 1.00 0.00 H new ATOM 843 N VAL A 55 1.693 7.986 -11.638 1.00 0.00 N ATOM 844 CA VAL A 55 2.431 7.658 -12.877 1.00 0.00 C ATOM 845 C VAL A 55 2.265 6.163 -13.178 1.00 0.00 C ATOM 846 O VAL A 55 2.606 5.344 -12.333 1.00 0.00 O ATOM 847 CB VAL A 55 3.976 7.952 -12.689 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.801 7.634 -13.962 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.217 9.398 -12.214 1.00 0.00 C ATOM 0 H VAL A 55 2.047 7.483 -10.824 1.00 0.00 H new ATOM 0 HA VAL A 55 2.037 8.266 -13.691 1.00 0.00 H new ATOM 0 HB VAL A 55 4.330 7.277 -11.910 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.853 7.853 -13.778 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.689 6.579 -14.214 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.442 8.245 -14.790 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.287 9.568 -12.094 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.819 10.094 -12.952 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.716 9.556 -11.259 1.00 0.00 H new ATOM 859 N ASP A 56 1.728 5.807 -14.355 1.00 0.00 N ATOM 860 CA ASP A 56 1.602 4.393 -14.787 1.00 0.00 C ATOM 861 C ASP A 56 2.684 4.032 -15.825 1.00 0.00 C ATOM 862 O ASP A 56 2.681 4.531 -16.955 1.00 0.00 O ATOM 863 CB ASP A 56 0.162 4.083 -15.305 1.00 0.00 C ATOM 864 CG ASP A 56 -0.300 4.956 -16.484 1.00 0.00 C ATOM 865 OD1 ASP A 56 -0.320 6.194 -16.343 1.00 0.00 O ATOM 866 OD2 ASP A 56 -0.644 4.421 -17.550 1.00 0.00 O ATOM 0 H ASP A 56 1.370 6.479 -15.034 1.00 0.00 H new ATOM 0 HA ASP A 56 1.768 3.758 -13.916 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.117 3.036 -15.606 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.540 4.208 -14.481 1.00 0.00 H new ATOM 871 N LEU A 57 3.640 3.187 -15.389 1.00 0.00 N ATOM 872 CA LEU A 57 4.750 2.695 -16.223 1.00 0.00 C ATOM 873 C LEU A 57 4.313 1.569 -17.180 1.00 0.00 C ATOM 874 O LEU A 57 4.907 1.410 -18.246 1.00 0.00 O ATOM 875 CB LEU A 57 5.887 2.160 -15.317 1.00 0.00 C ATOM 876 CG LEU A 57 6.422 3.140 -14.230 1.00 0.00 C ATOM 877 CD1 LEU A 57 7.566 2.483 -13.434 1.00 0.00 C ATOM 878 CD2 LEU A 57 6.850 4.494 -14.844 1.00 0.00 C ATOM 0 H LEU A 57 3.661 2.824 -14.436 1.00 0.00 H new ATOM 0 HA LEU A 57 5.094 3.537 -16.824 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.532 1.258 -14.819 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.722 1.866 -15.953 1.00 0.00 H new ATOM 0 HG LEU A 57 5.610 3.356 -13.536 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.930 3.179 -12.678 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.199 1.579 -12.948 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.380 2.225 -14.112 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.217 5.151 -14.056 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.641 4.328 -15.576 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.994 4.958 -15.334 1.00 0.00 H new ATOM 890 N THR A 58 3.263 0.814 -16.805 1.00 0.00 N ATOM 891 CA THR A 58 2.928 -0.486 -17.442 1.00 0.00 C ATOM 892 C THR A 58 2.357 -0.332 -18.864 1.00 0.00 C ATOM 893 O THR A 58 2.288 -1.312 -19.608 1.00 0.00 O ATOM 894 CB THR A 58 1.947 -1.332 -16.544 1.00 0.00 C ATOM 895 OG1 THR A 58 1.549 -2.561 -17.176 1.00 0.00 O ATOM 896 CG2 THR A 58 0.695 -0.547 -16.126 1.00 0.00 C ATOM 0 H THR A 58 2.623 1.081 -16.057 1.00 0.00 H new ATOM 0 HA THR A 58 3.871 -1.024 -17.534 1.00 0.00 H new ATOM 0 HB THR A 58 2.519 -1.567 -15.646 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.740 -2.512 -18.136 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.057 -1.181 -15.510 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.991 0.334 -15.556 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.147 -0.236 -17.015 1.00 0.00 H new ATOM 904 N THR A 59 2.006 0.897 -19.263 1.00 0.00 N ATOM 905 CA THR A 59 1.398 1.166 -20.574 1.00 0.00 C ATOM 906 C THR A 59 2.487 1.534 -21.604 1.00 0.00 C ATOM 907 O THR A 59 2.250 1.495 -22.816 1.00 0.00 O ATOM 908 CB THR A 59 0.353 2.308 -20.444 1.00 0.00 C ATOM 909 OG1 THR A 59 0.979 3.453 -19.845 1.00 0.00 O ATOM 910 CG2 THR A 59 -0.862 1.870 -19.593 1.00 0.00 C ATOM 0 H THR A 59 2.134 1.731 -18.689 1.00 0.00 H new ATOM 0 HA THR A 59 0.890 0.267 -20.924 1.00 0.00 H new ATOM 0 HB THR A 59 -0.011 2.557 -21.441 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.453 3.746 -19.072 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.573 2.693 -19.523 1.00 0.00 H new ATOM 0 HG22 THR A 59 -1.345 1.013 -20.062 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.526 1.595 -18.593 1.00 0.00 H new ATOM 918 N MET A 60 3.681 1.892 -21.094 1.00 0.00 N ATOM 919 CA MET A 60 4.865 2.196 -21.913 1.00 0.00 C ATOM 920 C MET A 60 5.766 0.952 -21.969 1.00 0.00 C ATOM 921 O MET A 60 6.042 0.422 -23.050 1.00 0.00 O ATOM 922 CB MET A 60 5.632 3.407 -21.306 1.00 0.00 C ATOM 923 CG MET A 60 6.947 3.778 -22.018 1.00 0.00 C ATOM 924 SD MET A 60 7.824 5.138 -21.206 1.00 0.00 S ATOM 925 CE MET A 60 8.037 4.500 -19.537 1.00 0.00 C ATOM 0 H MET A 60 3.850 1.978 -20.092 1.00 0.00 H new ATOM 0 HA MET A 60 4.560 2.461 -22.925 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.974 4.276 -21.318 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.853 3.189 -20.261 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.596 2.903 -22.053 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.731 4.056 -23.050 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.853 5.030 -19.046 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.117 4.646 -18.971 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.270 3.436 -19.581 1.00 0.00 H new ATOM 935 N THR A 61 6.212 0.499 -20.781 1.00 0.00 N ATOM 936 CA THR A 61 7.133 -0.638 -20.614 1.00 0.00 C ATOM 937 C THR A 61 6.717 -1.463 -19.371 1.00 0.00 C ATOM 938 O THR A 61 6.568 -0.906 -18.275 1.00 0.00 O ATOM 939 CB THR A 61 8.615 -0.139 -20.437 1.00 0.00 C ATOM 940 OG1 THR A 61 8.669 0.858 -19.399 1.00 0.00 O ATOM 941 CG2 THR A 61 9.215 0.449 -21.733 1.00 0.00 C ATOM 0 H THR A 61 5.936 0.922 -19.895 1.00 0.00 H new ATOM 0 HA THR A 61 7.080 -1.259 -21.508 1.00 0.00 H new ATOM 0 HB THR A 61 9.211 -1.012 -20.170 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.968 0.680 -18.737 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.238 0.775 -21.545 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.214 -0.313 -22.513 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.617 1.300 -22.057 1.00 0.00 H new ATOM 949 N ALA A 62 6.533 -2.783 -19.550 1.00 0.00 N ATOM 950 CA ALA A 62 6.227 -3.723 -18.454 1.00 0.00 C ATOM 951 C ALA A 62 6.959 -5.059 -18.729 1.00 0.00 C ATOM 952 O ALA A 62 6.442 -5.890 -19.508 1.00 0.00 O ATOM 953 CB ALA A 62 4.698 -3.915 -18.305 1.00 0.00 C ATOM 954 OXT ALA A 62 8.077 -5.255 -18.203 1.00 0.00 O ATOM 0 H ALA A 62 6.593 -3.231 -20.464 1.00 0.00 H new ATOM 0 HA ALA A 62 6.581 -3.320 -17.505 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.496 -4.612 -17.491 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.230 -2.955 -18.085 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.289 -4.313 -19.234 1.00 0.00 H new TER 960 ALA A 62 ATOM 961 N MET B 1 9.697 15.307 -7.885 1.00 0.00 N ATOM 962 CA MET B 1 9.065 14.906 -6.608 1.00 0.00 C ATOM 963 C MET B 1 8.682 13.419 -6.675 1.00 0.00 C ATOM 964 O MET B 1 8.557 12.859 -7.775 1.00 0.00 O ATOM 965 CB MET B 1 7.820 15.802 -6.336 1.00 0.00 C ATOM 966 CG MET B 1 7.203 15.663 -4.936 1.00 0.00 C ATOM 967 SD MET B 1 5.834 16.807 -4.665 1.00 0.00 S ATOM 968 CE MET B 1 6.642 18.400 -4.852 1.00 0.00 C ATOM 0 H1 MET B 1 10.680 15.599 -7.709 1.00 0.00 H new ATOM 0 H2 MET B 1 9.687 14.503 -8.545 1.00 0.00 H new ATOM 0 H3 MET B 1 9.169 16.101 -8.299 1.00 0.00 H new ATOM 0 HA MET B 1 9.765 15.043 -5.784 1.00 0.00 H new ATOM 0 HB2 MET B 1 8.103 16.844 -6.488 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.056 15.567 -7.077 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.850 14.641 -4.798 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.973 15.839 -4.185 1.00 0.00 H new ATOM 0 HE1 MET B 1 6.269 19.089 -4.094 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.719 18.278 -4.733 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.430 18.802 -5.843 1.00 0.00 H new ATOM 978 N TYR B 2 8.520 12.768 -5.504 1.00 0.00 N ATOM 979 CA TYR B 2 8.100 11.361 -5.442 1.00 0.00 C ATOM 980 C TYR B 2 6.628 11.193 -5.861 1.00 0.00 C ATOM 981 O TYR B 2 5.837 12.149 -5.848 1.00 0.00 O ATOM 982 CB TYR B 2 8.383 10.736 -4.052 1.00 0.00 C ATOM 983 CG TYR B 2 7.924 11.526 -2.806 1.00 0.00 C ATOM 984 CD1 TYR B 2 6.592 11.913 -2.618 1.00 0.00 C ATOM 985 CD2 TYR B 2 8.833 11.856 -1.800 1.00 0.00 C ATOM 986 CE1 TYR B 2 6.193 12.595 -1.485 1.00 0.00 C ATOM 987 CE2 TYR B 2 8.438 12.530 -0.669 1.00 0.00 C ATOM 988 CZ TYR B 2 7.120 12.898 -0.513 1.00 0.00 C ATOM 989 OH TYR B 2 6.726 13.559 0.627 1.00 0.00 O ATOM 0 H TYR B 2 8.675 13.198 -4.592 1.00 0.00 H new ATOM 0 HA TYR B 2 8.704 10.810 -6.163 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.908 9.755 -4.022 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.458 10.573 -3.969 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.860 11.673 -3.375 1.00 0.00 H new ATOM 0 HD2 TYR B 2 9.870 11.576 -1.913 1.00 0.00 H new ATOM 0 HE1 TYR B 2 5.161 12.889 -1.362 1.00 0.00 H new ATOM 0 HE2 TYR B 2 9.161 12.771 0.097 1.00 0.00 H new ATOM 0 HH TYR B 2 7.501 13.695 1.211 1.00 0.00 H new ATOM 999 N LYS B 3 6.282 9.947 -6.194 1.00 0.00 N ATOM 1000 CA LYS B 3 5.037 9.605 -6.887 1.00 0.00 C ATOM 1001 C LYS B 3 4.772 8.091 -6.822 1.00 0.00 C ATOM 1002 O LYS B 3 5.557 7.327 -6.238 1.00 0.00 O ATOM 1003 CB LYS B 3 5.076 10.134 -8.375 1.00 0.00 C ATOM 1004 CG LYS B 3 6.422 9.960 -9.132 1.00 0.00 C ATOM 1005 CD LYS B 3 6.774 8.490 -9.453 1.00 0.00 C ATOM 1006 CE LYS B 3 8.158 8.355 -10.097 1.00 0.00 C ATOM 1007 NZ LYS B 3 8.271 9.140 -11.351 1.00 0.00 N ATOM 0 H LYS B 3 6.866 9.137 -5.987 1.00 0.00 H new ATOM 0 HA LYS B 3 4.206 10.097 -6.382 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.297 9.623 -8.940 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.822 11.194 -8.368 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.380 10.525 -10.063 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.223 10.393 -8.533 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.743 7.902 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS B 3 6.021 8.076 -10.123 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.919 8.688 -9.392 1.00 0.00 H new ATOM 0 HE3 LYS B 3 8.358 7.305 -10.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.170 8.914 -11.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 7.480 8.901 -11.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 8.242 10.156 -11.129 1.00 0.00 H new ATOM 1021 N PHE B 4 3.661 7.685 -7.450 1.00 0.00 N ATOM 1022 CA PHE B 4 3.230 6.289 -7.540 1.00 0.00 C ATOM 1023 C PHE B 4 3.601 5.732 -8.916 1.00 0.00 C ATOM 1024 O PHE B 4 3.187 6.278 -9.930 1.00 0.00 O ATOM 1025 CB PHE B 4 1.702 6.192 -7.316 1.00 0.00 C ATOM 1026 CG PHE B 4 1.276 6.609 -5.913 1.00 0.00 C ATOM 1027 CD1 PHE B 4 1.226 5.668 -4.886 1.00 0.00 C ATOM 1028 CD2 PHE B 4 0.933 7.937 -5.617 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.849 6.031 -3.615 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.557 8.294 -4.341 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.515 7.340 -3.345 1.00 0.00 C ATOM 0 H PHE B 4 3.026 8.332 -7.918 1.00 0.00 H new ATOM 0 HA PHE B 4 3.731 5.703 -6.769 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.193 6.821 -8.046 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.378 5.167 -7.498 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.487 4.640 -5.092 1.00 0.00 H new ATOM 0 HD2 PHE B 4 0.964 8.685 -6.396 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.815 5.291 -2.829 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.296 9.318 -4.121 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.218 7.622 -2.346 1.00 0.00 H new ATOM 1041 N GLU B 5 4.405 4.667 -8.938 1.00 0.00 N ATOM 1042 CA GLU B 5 4.767 3.967 -10.177 1.00 0.00 C ATOM 1043 C GLU B 5 3.886 2.721 -10.308 1.00 0.00 C ATOM 1044 O GLU B 5 4.047 1.770 -9.539 1.00 0.00 O ATOM 1045 CB GLU B 5 6.267 3.582 -10.178 1.00 0.00 C ATOM 1046 CG GLU B 5 7.224 4.778 -10.068 1.00 0.00 C ATOM 1047 CD GLU B 5 8.712 4.409 -10.213 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.144 3.384 -9.652 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.465 5.154 -10.871 1.00 0.00 O ATOM 0 H GLU B 5 4.824 4.264 -8.100 1.00 0.00 H new ATOM 0 HA GLU B 5 4.602 4.626 -11.030 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.457 2.902 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.490 3.036 -11.095 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.966 5.508 -10.835 1.00 0.00 H new ATOM 0 HG3 GLU B 5 7.073 5.262 -9.103 1.00 0.00 H new ATOM 1056 N ILE B 6 2.952 2.742 -11.276 1.00 0.00 N ATOM 1057 CA ILE B 6 1.980 1.667 -11.497 1.00 0.00 C ATOM 1058 C ILE B 6 2.517 0.750 -12.584 1.00 0.00 C ATOM 1059 O ILE B 6 2.736 1.179 -13.723 1.00 0.00 O ATOM 1060 CB ILE B 6 0.596 2.230 -11.959 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.142 3.369 -11.004 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.473 1.103 -12.060 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -0.973 4.217 -11.547 1.00 0.00 C ATOM 0 H ILE B 6 2.854 3.517 -11.932 1.00 0.00 H new ATOM 0 HA ILE B 6 1.837 1.132 -10.558 1.00 0.00 H new ATOM 0 HB ILE B 6 0.707 2.646 -12.960 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.177 2.930 -10.059 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.997 4.008 -10.786 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.422 1.530 -12.384 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.146 0.355 -12.783 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.600 0.634 -11.085 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.231 4.988 -10.821 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.653 4.687 -12.477 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.845 3.592 -11.738 1.00 0.00 H new ATOM 1075 N TYR B 7 2.712 -0.497 -12.234 1.00 0.00 N ATOM 1076 CA TYR B 7 3.247 -1.502 -13.138 1.00 0.00 C ATOM 1077 C TYR B 7 2.529 -2.823 -12.893 1.00 0.00 C ATOM 1078 O TYR B 7 1.799 -2.963 -11.921 1.00 0.00 O ATOM 1079 CB TYR B 7 4.784 -1.626 -12.949 1.00 0.00 C ATOM 1080 CG TYR B 7 5.222 -1.995 -11.522 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.156 -1.059 -10.484 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.689 -3.271 -11.213 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.533 -1.379 -9.203 1.00 0.00 C ATOM 1084 CE2 TYR B 7 6.073 -3.593 -9.929 1.00 0.00 C ATOM 1085 CZ TYR B 7 5.990 -2.646 -8.925 1.00 0.00 C ATOM 1086 OH TYR B 7 6.372 -2.969 -7.641 1.00 0.00 O ATOM 0 H TYR B 7 2.503 -0.854 -11.302 1.00 0.00 H new ATOM 0 HA TYR B 7 3.075 -1.209 -14.174 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.163 -2.381 -13.638 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.249 -0.680 -13.225 1.00 0.00 H new ATOM 0 HD1 TYR B 7 4.800 -0.061 -10.695 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.751 -4.018 -11.990 1.00 0.00 H new ATOM 0 HE1 TYR B 7 5.471 -0.640 -8.418 1.00 0.00 H new ATOM 0 HE2 TYR B 7 6.439 -4.585 -9.707 1.00 0.00 H new ATOM 0 HH TYR B 7 6.669 -3.903 -7.613 1.00 0.00 H new ATOM 1096 N GLN B 8 2.736 -3.784 -13.777 1.00 0.00 N ATOM 1097 CA GLN B 8 2.266 -5.163 -13.562 1.00 0.00 C ATOM 1098 C GLN B 8 3.487 -6.058 -13.364 1.00 0.00 C ATOM 1099 O GLN B 8 4.563 -5.789 -13.921 1.00 0.00 O ATOM 1100 CB GLN B 8 1.374 -5.666 -14.734 1.00 0.00 C ATOM 1101 CG GLN B 8 2.122 -6.152 -15.990 1.00 0.00 C ATOM 1102 CD GLN B 8 1.217 -6.230 -17.220 1.00 0.00 C ATOM 1103 OE1 GLN B 8 0.508 -7.336 -17.377 1.00 0.00 O flip ATOM 1104 NE2 GLN B 8 1.121 -5.284 -17.995 1.00 0.00 N flip ATOM 0 H GLN B 8 3.229 -3.644 -14.659 1.00 0.00 H new ATOM 0 HA GLN B 8 1.636 -5.194 -12.673 1.00 0.00 H new ATOM 0 HB2 GLN B 8 0.752 -6.482 -14.367 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.702 -4.859 -15.025 1.00 0.00 H new ATOM 0 HG2 GLN B 8 2.953 -5.478 -16.197 1.00 0.00 H new ATOM 0 HG3 GLN B 8 2.550 -7.135 -15.796 1.00 0.00 H new ATOM 0 HE21 GLN B 8 1.681 -4.445 -17.847 1.00 0.00 H new ATOM 0 HE22 GLN B 8 0.481 -5.337 -18.787 1.00 0.00 H new ATOM 1113 N ASP B 9 3.323 -7.103 -12.559 1.00 0.00 N ATOM 1114 CA ASP B 9 4.331 -8.153 -12.400 1.00 0.00 C ATOM 1115 C ASP B 9 4.259 -9.062 -13.636 1.00 0.00 C ATOM 1116 O ASP B 9 3.231 -9.050 -14.319 1.00 0.00 O ATOM 1117 CB ASP B 9 4.039 -8.940 -11.099 1.00 0.00 C ATOM 1118 CG ASP B 9 5.093 -10.005 -10.777 1.00 0.00 C ATOM 1119 OD1 ASP B 9 6.112 -9.659 -10.159 1.00 0.00 O ATOM 1120 OD2 ASP B 9 4.917 -11.185 -11.153 1.00 0.00 O ATOM 0 H ASP B 9 2.485 -7.249 -11.995 1.00 0.00 H new ATOM 0 HA ASP B 9 5.335 -7.737 -12.321 1.00 0.00 H new ATOM 0 HB2 ASP B 9 3.977 -8.239 -10.267 1.00 0.00 H new ATOM 0 HB3 ASP B 9 3.064 -9.420 -11.186 1.00 0.00 H new ATOM 1125 N LYS B 10 5.330 -9.842 -13.906 1.00 0.00 N ATOM 1126 CA LYS B 10 5.400 -10.794 -15.047 1.00 0.00 C ATOM 1127 C LYS B 10 4.176 -11.755 -15.078 1.00 0.00 C ATOM 1128 O LYS B 10 3.686 -12.129 -16.141 1.00 0.00 O ATOM 1129 CB LYS B 10 6.767 -11.550 -15.045 1.00 0.00 C ATOM 1130 CG LYS B 10 7.131 -12.351 -13.751 1.00 0.00 C ATOM 1131 CD LYS B 10 6.520 -13.775 -13.681 1.00 0.00 C ATOM 1132 CE LYS B 10 6.981 -14.670 -14.847 1.00 0.00 C ATOM 1133 NZ LYS B 10 6.309 -15.990 -14.839 1.00 0.00 N ATOM 0 H LYS B 10 6.177 -9.832 -13.338 1.00 0.00 H new ATOM 0 HA LYS B 10 5.348 -10.223 -15.974 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.772 -12.243 -15.886 1.00 0.00 H new ATOM 0 HB3 LYS B 10 7.558 -10.822 -15.227 1.00 0.00 H new ATOM 0 HG2 LYS B 10 8.216 -12.431 -13.682 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.798 -11.784 -12.882 1.00 0.00 H new ATOM 0 HD2 LYS B 10 6.800 -14.241 -12.736 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.433 -13.702 -13.691 1.00 0.00 H new ATOM 0 HE2 LYS B 10 6.777 -14.166 -15.792 1.00 0.00 H new ATOM 0 HE3 LYS B 10 8.060 -14.813 -14.788 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 6.650 -16.558 -15.641 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 6.524 -16.483 -13.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 5.281 -15.857 -14.922 1.00 0.00 H new ATOM 1147 N ALA B 11 3.688 -12.098 -13.867 1.00 0.00 N ATOM 1148 CA ALA B 11 2.467 -12.917 -13.647 1.00 0.00 C ATOM 1149 C ALA B 11 1.152 -12.136 -13.968 1.00 0.00 C ATOM 1150 O ALA B 11 0.051 -12.638 -13.724 1.00 0.00 O ATOM 1151 CB ALA B 11 2.462 -13.423 -12.193 1.00 0.00 C ATOM 0 H ALA B 11 4.136 -11.811 -12.997 1.00 0.00 H new ATOM 0 HA ALA B 11 2.494 -13.760 -14.337 1.00 0.00 H new ATOM 0 HB1 ALA B 11 1.570 -14.025 -12.020 1.00 0.00 H new ATOM 0 HB2 ALA B 11 3.350 -14.030 -12.016 1.00 0.00 H new ATOM 0 HB3 ALA B 11 2.463 -12.572 -11.512 1.00 0.00 H new ATOM 1157 N GLY B 12 1.293 -10.933 -14.555 1.00 0.00 N ATOM 1158 CA GLY B 12 0.182 -10.032 -14.867 1.00 0.00 C ATOM 1159 C GLY B 12 -0.456 -9.434 -13.631 1.00 0.00 C ATOM 1160 O GLY B 12 -1.642 -9.082 -13.646 1.00 0.00 O ATOM 0 H GLY B 12 2.202 -10.559 -14.828 1.00 0.00 H new ATOM 0 HA2 GLY B 12 0.542 -9.228 -15.509 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -0.574 -10.577 -15.432 1.00 0.00 H new ATOM 1164 N GLU B 13 0.346 -9.271 -12.566 1.00 0.00 N ATOM 1165 CA GLU B 13 -0.168 -8.819 -11.255 1.00 0.00 C ATOM 1166 C GLU B 13 -0.041 -7.295 -11.166 1.00 0.00 C ATOM 1167 O GLU B 13 1.007 -6.782 -10.751 1.00 0.00 O ATOM 1168 CB GLU B 13 0.601 -9.502 -10.091 1.00 0.00 C ATOM 1169 CG GLU B 13 0.669 -11.035 -10.158 1.00 0.00 C ATOM 1170 CD GLU B 13 -0.684 -11.728 -9.955 1.00 0.00 C ATOM 1171 OE1 GLU B 13 -1.087 -11.932 -8.788 1.00 0.00 O ATOM 1172 OE2 GLU B 13 -1.349 -12.080 -10.952 1.00 0.00 O ATOM 0 H GLU B 13 1.351 -9.444 -12.583 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.217 -9.102 -11.165 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.618 -9.110 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.131 -9.217 -9.150 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.075 -11.329 -11.126 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.366 -11.391 -9.399 1.00 0.00 H new ATOM 1179 N TYR B 14 -1.074 -6.584 -11.646 1.00 0.00 N ATOM 1180 CA TYR B 14 -1.131 -5.117 -11.581 1.00 0.00 C ATOM 1181 C TYR B 14 -1.029 -4.597 -10.135 1.00 0.00 C ATOM 1182 O TYR B 14 -1.737 -5.046 -9.237 1.00 0.00 O ATOM 1183 CB TYR B 14 -2.392 -4.577 -12.286 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.288 -4.648 -13.815 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -1.669 -3.624 -14.535 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -2.775 -5.739 -14.532 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -1.553 -3.680 -15.911 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -2.653 -5.800 -15.908 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.047 -4.767 -16.592 1.00 0.00 C ATOM 1190 OH TYR B 14 -1.925 -4.831 -17.966 1.00 0.00 O ATOM 0 H TYR B 14 -1.889 -7.009 -12.088 1.00 0.00 H new ATOM 0 HA TYR B 14 -0.260 -4.738 -12.116 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -3.260 -5.148 -11.958 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -2.558 -3.543 -11.984 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.273 -2.770 -14.005 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -3.255 -6.550 -14.005 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -1.077 -2.874 -16.449 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.032 -6.656 -16.447 1.00 0.00 H new ATOM 0 HH TYR B 14 -2.325 -5.664 -18.291 1.00 0.00 H new ATOM 1200 N ARG B 15 -0.142 -3.618 -9.983 1.00 0.00 N ATOM 1201 CA ARG B 15 0.330 -3.092 -8.704 1.00 0.00 C ATOM 1202 C ARG B 15 0.839 -1.666 -8.879 1.00 0.00 C ATOM 1203 O ARG B 15 0.852 -1.125 -9.985 1.00 0.00 O ATOM 1204 CB ARG B 15 1.438 -4.017 -8.124 1.00 0.00 C ATOM 1205 CG ARG B 15 2.540 -4.391 -9.132 1.00 0.00 C ATOM 1206 CD ARG B 15 3.502 -5.448 -8.585 1.00 0.00 C ATOM 1207 NE ARG B 15 2.816 -6.698 -8.214 1.00 0.00 N ATOM 1208 CZ ARG B 15 3.327 -7.661 -7.428 1.00 0.00 C ATOM 1209 NH1 ARG B 15 4.578 -7.593 -6.975 1.00 0.00 N ATOM 1210 NH2 ARG B 15 2.577 -8.701 -7.115 1.00 0.00 N ATOM 0 H ARG B 15 0.286 -3.149 -10.781 1.00 0.00 H new ATOM 0 HA ARG B 15 -0.499 -3.070 -7.997 1.00 0.00 H new ATOM 0 HB2 ARG B 15 1.897 -3.522 -7.268 1.00 0.00 H new ATOM 0 HB3 ARG B 15 0.975 -4.931 -7.753 1.00 0.00 H new ATOM 0 HG2 ARG B 15 2.079 -4.763 -10.047 1.00 0.00 H new ATOM 0 HG3 ARG B 15 3.102 -3.496 -9.399 1.00 0.00 H new ATOM 0 HD2 ARG B 15 4.263 -5.664 -9.334 1.00 0.00 H new ATOM 0 HD3 ARG B 15 4.018 -5.048 -7.712 1.00 0.00 H new ATOM 0 HE ARG B 15 1.877 -6.844 -8.584 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.168 -6.799 -7.224 1.00 0.00 H new ATOM 0 HH12 ARG B 15 4.946 -8.335 -6.380 1.00 0.00 H new ATOM 0 HH21 ARG B 15 1.623 -8.766 -7.469 1.00 0.00 H new ATOM 0 HH22 ARG B 15 2.952 -9.439 -6.519 1.00 0.00 H new ATOM 1224 N PHE B 16 1.233 -1.066 -7.761 1.00 0.00 N ATOM 1225 CA PHE B 16 1.868 0.249 -7.732 1.00 0.00 C ATOM 1226 C PHE B 16 2.812 0.316 -6.541 1.00 0.00 C ATOM 1227 O PHE B 16 2.664 -0.433 -5.582 1.00 0.00 O ATOM 1228 CB PHE B 16 0.812 1.393 -7.684 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.145 1.378 -6.480 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -1.315 0.615 -6.504 1.00 0.00 C ATOM 1231 CD2 PHE B 16 0.109 2.157 -5.345 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -2.190 0.621 -5.435 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -0.768 2.160 -4.275 1.00 0.00 C ATOM 1234 CZ PHE B 16 -1.922 1.396 -4.322 1.00 0.00 C ATOM 0 H PHE B 16 1.119 -1.483 -6.837 1.00 0.00 H new ATOM 0 HA PHE B 16 2.438 0.390 -8.651 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.339 2.347 -7.692 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.217 1.350 -8.596 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -1.539 0.011 -7.371 1.00 0.00 H new ATOM 0 HD2 PHE B 16 1.002 2.764 -5.304 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -3.086 0.019 -5.469 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -0.552 2.759 -3.402 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.611 1.406 -3.491 1.00 0.00 H new ATOM 1244 N ARG B 17 3.796 1.191 -6.619 1.00 0.00 N ATOM 1245 CA ARG B 17 4.727 1.442 -5.512 1.00 0.00 C ATOM 1246 C ARG B 17 4.790 2.948 -5.252 1.00 0.00 C ATOM 1247 O ARG B 17 4.462 3.744 -6.137 1.00 0.00 O ATOM 1248 CB ARG B 17 6.136 0.880 -5.861 1.00 0.00 C ATOM 1249 CG ARG B 17 6.829 1.618 -7.027 1.00 0.00 C ATOM 1250 CD ARG B 17 8.273 1.166 -7.280 1.00 0.00 C ATOM 1251 NE ARG B 17 8.365 -0.187 -7.856 1.00 0.00 N ATOM 1252 CZ ARG B 17 8.955 -0.498 -9.026 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.388 0.457 -9.837 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.092 -1.760 -9.376 1.00 0.00 N ATOM 0 H ARG B 17 3.981 1.754 -7.449 1.00 0.00 H new ATOM 0 HA ARG B 17 4.379 0.937 -4.611 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.770 0.940 -4.977 1.00 0.00 H new ATOM 0 HB3 ARG B 17 6.043 -0.176 -6.115 1.00 0.00 H new ATOM 0 HG2 ARG B 17 6.247 1.467 -7.936 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.825 2.688 -6.820 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.756 1.874 -7.953 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.825 1.192 -6.341 1.00 0.00 H new ATOM 0 HE ARG B 17 7.947 -0.951 -7.325 1.00 0.00 H new ATOM 0 HH11 ARG B 17 9.276 1.437 -9.577 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.834 0.212 -10.721 1.00 0.00 H new ATOM 0 HH21 ARG B 17 8.752 -2.500 -8.761 1.00 0.00 H new ATOM 0 HH22 ARG B 17 9.538 -1.998 -10.262 1.00 0.00 H new ATOM 1268 N PHE B 18 5.232 3.334 -4.053 1.00 0.00 N ATOM 1269 CA PHE B 18 5.400 4.752 -3.702 1.00 0.00 C ATOM 1270 C PHE B 18 6.882 4.991 -3.453 1.00 0.00 C ATOM 1271 O PHE B 18 7.556 4.205 -2.765 1.00 0.00 O ATOM 1272 CB PHE B 18 4.540 5.163 -2.483 1.00 0.00 C ATOM 1273 CG PHE B 18 4.560 6.654 -2.131 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.466 7.633 -3.120 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.646 7.070 -0.806 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.464 8.968 -2.791 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.637 8.405 -0.475 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.552 9.353 -1.467 1.00 0.00 C ATOM 0 H PHE B 18 5.481 2.686 -3.306 1.00 0.00 H new ATOM 0 HA PHE B 18 5.050 5.377 -4.524 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.508 4.867 -2.672 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.880 4.598 -1.615 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.394 7.339 -4.157 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.721 6.331 -0.022 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.394 9.716 -3.567 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.696 8.707 0.560 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.554 10.402 -1.211 1.00 0.00 H new ATOM 1288 N LYS B 19 7.380 6.063 -4.059 1.00 0.00 N ATOM 1289 CA LYS B 19 8.798 6.380 -4.115 1.00 0.00 C ATOM 1290 C LYS B 19 9.185 7.410 -3.047 1.00 0.00 C ATOM 1291 O LYS B 19 8.347 7.874 -2.262 1.00 0.00 O ATOM 1292 CB LYS B 19 9.126 6.897 -5.549 1.00 0.00 C ATOM 1293 CG LYS B 19 8.777 5.875 -6.653 1.00 0.00 C ATOM 1294 CD LYS B 19 9.570 4.553 -6.476 1.00 0.00 C ATOM 1295 CE LYS B 19 11.061 4.705 -6.807 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.297 4.846 -8.263 1.00 0.00 N ATOM 0 H LYS B 19 6.794 6.749 -4.535 1.00 0.00 H new ATOM 0 HA LYS B 19 9.382 5.484 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.577 7.821 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.187 7.139 -5.608 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.708 5.665 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.997 6.304 -7.630 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.464 4.206 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.136 3.786 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.460 5.577 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.605 3.837 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.319 4.827 -8.452 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.837 4.061 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.901 5.749 -8.593 1.00 0.00 H new ATOM 1310 N ALA B 20 10.473 7.749 -3.048 1.00 0.00 N ATOM 1311 CA ALA B 20 11.070 8.788 -2.211 1.00 0.00 C ATOM 1312 C ALA B 20 12.007 9.625 -3.098 1.00 0.00 C ATOM 1313 O ALA B 20 12.424 9.144 -4.158 1.00 0.00 O ATOM 1314 CB ALA B 20 11.806 8.170 -1.016 1.00 0.00 C ATOM 0 H ALA B 20 11.154 7.291 -3.654 1.00 0.00 H new ATOM 0 HA ALA B 20 10.298 9.434 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA B 20 12.242 8.963 -0.408 1.00 0.00 H new ATOM 0 HB2 ALA B 20 11.103 7.595 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA B 20 12.597 7.512 -1.376 1.00 0.00 H new ATOM 1320 N SER B 21 12.286 10.871 -2.665 1.00 0.00 N ATOM 1321 CA SER B 21 13.085 11.887 -3.408 1.00 0.00 C ATOM 1322 C SER B 21 14.280 11.339 -4.248 1.00 0.00 C ATOM 1323 O SER B 21 14.481 11.758 -5.395 1.00 0.00 O ATOM 1324 CB SER B 21 13.606 12.943 -2.413 1.00 0.00 C ATOM 1325 OG SER B 21 14.342 12.336 -1.359 1.00 0.00 O ATOM 0 H SER B 21 11.956 11.216 -1.764 1.00 0.00 H new ATOM 0 HA SER B 21 12.397 12.308 -4.141 1.00 0.00 H new ATOM 0 HB2 SER B 21 14.239 13.659 -2.937 1.00 0.00 H new ATOM 0 HB3 SER B 21 12.767 13.502 -1.999 1.00 0.00 H new ATOM 0 HG SER B 21 14.662 13.028 -0.743 1.00 0.00 H new ATOM 1331 N ASN B 22 15.043 10.390 -3.678 1.00 0.00 N ATOM 1332 CA ASN B 22 16.296 9.870 -4.288 1.00 0.00 C ATOM 1333 C ASN B 22 16.049 8.656 -5.214 1.00 0.00 C ATOM 1334 O ASN B 22 16.998 7.955 -5.582 1.00 0.00 O ATOM 1335 CB ASN B 22 17.295 9.481 -3.165 1.00 0.00 C ATOM 1336 CG ASN B 22 17.642 10.631 -2.223 1.00 0.00 C ATOM 1337 OD1 ASN B 22 17.723 11.789 -2.631 1.00 0.00 O ATOM 1338 ND2 ASN B 22 17.831 10.324 -0.949 1.00 0.00 N ATOM 0 H ASN B 22 14.816 9.957 -2.783 1.00 0.00 H new ATOM 0 HA ASN B 22 16.712 10.665 -4.908 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.872 8.662 -2.583 1.00 0.00 H new ATOM 0 HB3 ASN B 22 18.212 9.108 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN B 22 18.051 11.057 -0.275 1.00 0.00 H new ATOM 0 HD22 ASN B 22 17.757 9.354 -0.642 1.00 0.00 H new ATOM 1345 N GLY B 23 14.785 8.437 -5.616 1.00 0.00 N ATOM 1346 CA GLY B 23 14.406 7.266 -6.415 1.00 0.00 C ATOM 1347 C GLY B 23 14.337 5.985 -5.587 1.00 0.00 C ATOM 1348 O GLY B 23 14.375 4.882 -6.138 1.00 0.00 O ATOM 0 H GLY B 23 14.008 9.061 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.436 7.446 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.126 7.134 -7.222 1.00 0.00 H new ATOM 1352 N GLU B 24 14.233 6.149 -4.254 1.00 0.00 N ATOM 1353 CA GLU B 24 14.079 5.033 -3.295 1.00 0.00 C ATOM 1354 C GLU B 24 12.610 4.582 -3.283 1.00 0.00 C ATOM 1355 O GLU B 24 11.737 5.359 -3.640 1.00 0.00 O ATOM 1356 CB GLU B 24 14.504 5.505 -1.875 1.00 0.00 C ATOM 1357 CG GLU B 24 15.918 6.119 -1.779 1.00 0.00 C ATOM 1358 CD GLU B 24 17.053 5.103 -1.996 1.00 0.00 C ATOM 1359 OE1 GLU B 24 17.437 4.417 -1.022 1.00 0.00 O ATOM 1360 OE2 GLU B 24 17.566 4.976 -3.131 1.00 0.00 O ATOM 0 H GLU B 24 14.253 7.066 -3.807 1.00 0.00 H new ATOM 0 HA GLU B 24 14.712 4.197 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU B 24 13.781 6.242 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU B 24 14.448 4.654 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU B 24 16.009 6.915 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU B 24 16.038 6.580 -0.798 1.00 0.00 H new ATOM 1367 N THR B 25 12.339 3.332 -2.892 1.00 0.00 N ATOM 1368 CA THR B 25 10.956 2.829 -2.716 1.00 0.00 C ATOM 1369 C THR B 25 10.753 2.430 -1.254 1.00 0.00 C ATOM 1370 O THR B 25 11.635 1.836 -0.634 1.00 0.00 O ATOM 1371 CB THR B 25 10.664 1.615 -3.662 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.909 1.997 -5.017 1.00 0.00 O ATOM 1373 CG2 THR B 25 9.227 1.081 -3.538 1.00 0.00 C ATOM 0 H THR B 25 13.059 2.639 -2.688 1.00 0.00 H new ATOM 0 HA THR B 25 10.257 3.622 -2.982 1.00 0.00 H new ATOM 0 HB THR B 25 11.332 0.810 -3.356 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.884 1.203 -5.590 1.00 0.00 H new ATOM 0 HG21 THR B 25 9.091 0.241 -4.220 1.00 0.00 H new ATOM 0 HG22 THR B 25 9.049 0.750 -2.515 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.522 1.872 -3.792 1.00 0.00 H new ATOM 1381 N MET B 26 9.578 2.777 -0.711 1.00 0.00 N ATOM 1382 CA MET B 26 9.235 2.534 0.699 1.00 0.00 C ATOM 1383 C MET B 26 8.083 1.509 0.847 1.00 0.00 C ATOM 1384 O MET B 26 7.917 0.935 1.930 1.00 0.00 O ATOM 1385 CB MET B 26 9.000 3.886 1.444 1.00 0.00 C ATOM 1386 CG MET B 26 8.320 4.993 0.625 1.00 0.00 C ATOM 1387 SD MET B 26 6.683 4.528 0.077 1.00 0.00 S ATOM 1388 CE MET B 26 5.878 4.460 1.654 1.00 0.00 C ATOM 0 H MET B 26 8.835 3.236 -1.238 1.00 0.00 H new ATOM 0 HA MET B 26 10.083 2.060 1.194 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.394 3.691 2.329 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.963 4.258 1.793 1.00 0.00 H new ATOM 0 HG2 MET B 26 8.255 5.899 1.228 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.937 5.231 -0.242 1.00 0.00 H new ATOM 0 HE1 MET B 26 5.215 3.596 1.687 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.627 4.373 2.441 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.296 5.369 1.805 1.00 0.00 H new ATOM 1398 N PHE B 27 7.303 1.253 -0.233 1.00 0.00 N ATOM 1399 CA PHE B 27 6.446 0.038 -0.315 1.00 0.00 C ATOM 1400 C PHE B 27 6.125 -0.331 -1.766 1.00 0.00 C ATOM 1401 O PHE B 27 6.193 0.502 -2.672 1.00 0.00 O ATOM 1402 CB PHE B 27 5.118 0.134 0.520 1.00 0.00 C ATOM 1403 CG PHE B 27 3.957 0.935 -0.086 1.00 0.00 C ATOM 1404 CD1 PHE B 27 3.942 2.305 -0.016 1.00 0.00 C ATOM 1405 CD2 PHE B 27 2.880 0.312 -0.699 1.00 0.00 C ATOM 1406 CE1 PHE B 27 2.895 3.049 -0.513 1.00 0.00 C ATOM 1407 CE2 PHE B 27 1.837 1.057 -1.207 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.846 2.427 -1.120 1.00 0.00 C ATOM 0 H PHE B 27 7.248 1.861 -1.050 1.00 0.00 H new ATOM 0 HA PHE B 27 7.043 -0.755 0.135 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.765 -0.880 0.709 1.00 0.00 H new ATOM 0 HB3 PHE B 27 5.360 0.572 1.488 1.00 0.00 H new ATOM 0 HD1 PHE B 27 4.776 2.815 0.443 1.00 0.00 H new ATOM 0 HD2 PHE B 27 2.858 -0.765 -0.779 1.00 0.00 H new ATOM 0 HE1 PHE B 27 2.906 4.125 -0.422 1.00 0.00 H new ATOM 0 HE2 PHE B 27 1.004 0.557 -1.679 1.00 0.00 H new ATOM 0 HZ PHE B 27 1.030 3.005 -1.528 1.00 0.00 H new ATOM 1418 N SER B 28 5.727 -1.599 -1.918 1.00 0.00 N ATOM 1419 CA SER B 28 5.186 -2.172 -3.160 1.00 0.00 C ATOM 1420 C SER B 28 3.808 -2.763 -2.818 1.00 0.00 C ATOM 1421 O SER B 28 3.684 -3.459 -1.815 1.00 0.00 O ATOM 1422 CB SER B 28 6.144 -3.252 -3.714 1.00 0.00 C ATOM 1423 OG SER B 28 7.454 -2.731 -3.868 1.00 0.00 O ATOM 0 H SER B 28 5.773 -2.277 -1.158 1.00 0.00 H new ATOM 0 HA SER B 28 5.086 -1.413 -3.936 1.00 0.00 H new ATOM 0 HB2 SER B 28 6.165 -4.107 -3.039 1.00 0.00 H new ATOM 0 HB3 SER B 28 5.776 -3.613 -4.674 1.00 0.00 H new ATOM 0 HG SER B 28 8.027 -3.069 -3.149 1.00 0.00 H new ATOM 1429 N SER B 29 2.776 -2.483 -3.624 1.00 0.00 N ATOM 1430 CA SER B 29 1.385 -2.819 -3.257 1.00 0.00 C ATOM 1431 C SER B 29 0.966 -4.186 -3.812 1.00 0.00 C ATOM 1432 O SER B 29 1.624 -4.764 -4.683 1.00 0.00 O ATOM 1433 CB SER B 29 0.398 -1.754 -3.785 1.00 0.00 C ATOM 1434 OG SER B 29 0.778 -0.465 -3.413 1.00 0.00 O ATOM 0 H SER B 29 2.872 -2.027 -4.531 1.00 0.00 H new ATOM 0 HA SER B 29 1.351 -2.848 -2.168 1.00 0.00 H new ATOM 0 HB2 SER B 29 0.343 -1.817 -4.872 1.00 0.00 H new ATOM 0 HB3 SER B 29 -0.601 -1.963 -3.402 1.00 0.00 H new ATOM 0 HG SER B 29 0.171 0.186 -3.823 1.00 0.00 H new ATOM 1440 N GLU B 30 -0.167 -4.656 -3.288 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.907 -5.807 -3.800 1.00 0.00 C ATOM 1442 C GLU B 30 -1.658 -5.400 -5.095 1.00 0.00 C ATOM 1443 O GLU B 30 -2.033 -6.249 -5.907 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.872 -6.276 -2.680 1.00 0.00 C ATOM 1445 CG GLU B 30 -2.667 -7.551 -2.976 1.00 0.00 C ATOM 1446 CD GLU B 30 -3.564 -7.995 -1.804 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -3.093 -8.746 -0.925 1.00 0.00 O ATOM 1448 OE2 GLU B 30 -4.734 -7.570 -1.746 1.00 0.00 O ATOM 0 H GLU B 30 -0.607 -4.232 -2.471 1.00 0.00 H new ATOM 0 HA GLU B 30 -0.245 -6.632 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -1.293 -6.434 -1.770 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -2.577 -5.471 -2.473 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -3.287 -7.388 -3.858 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -1.973 -8.356 -3.219 1.00 0.00 H new ATOM 1455 N GLY B 31 -1.864 -4.073 -5.265 1.00 0.00 N ATOM 1456 CA GLY B 31 -2.428 -3.484 -6.490 1.00 0.00 C ATOM 1457 C GLY B 31 -3.944 -3.528 -6.596 1.00 0.00 C ATOM 1458 O GLY B 31 -4.504 -2.962 -7.550 1.00 0.00 O ATOM 0 H GLY B 31 -1.640 -3.382 -4.549 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -2.106 -2.445 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -2.005 -4.003 -7.350 1.00 0.00 H new ATOM 1462 N TYR B 32 -4.574 -4.271 -5.659 1.00 0.00 N ATOM 1463 CA TYR B 32 -6.036 -4.396 -5.507 1.00 0.00 C ATOM 1464 C TYR B 32 -6.568 -5.446 -6.502 1.00 0.00 C ATOM 1465 O TYR B 32 -7.087 -6.485 -6.084 1.00 0.00 O ATOM 1466 CB TYR B 32 -6.765 -3.019 -5.626 1.00 0.00 C ATOM 1467 CG TYR B 32 -8.284 -3.042 -5.367 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -8.803 -2.882 -4.082 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -9.195 -3.208 -6.413 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -10.166 -2.886 -3.854 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -10.553 -3.214 -6.190 1.00 0.00 C ATOM 1472 CZ TYR B 32 -11.033 -3.054 -4.912 1.00 0.00 C ATOM 1473 OH TYR B 32 -12.391 -3.060 -4.698 1.00 0.00 O ATOM 0 H TYR B 32 -4.060 -4.816 -4.967 1.00 0.00 H new ATOM 0 HA TYR B 32 -6.255 -4.744 -4.498 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -6.306 -2.324 -4.923 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -6.592 -2.622 -6.626 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -8.127 -2.753 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -8.825 -3.335 -7.420 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -10.550 -2.758 -2.853 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -11.238 -3.344 -7.015 1.00 0.00 H new ATOM 0 HH TYR B 32 -12.856 -3.188 -5.551 1.00 0.00 H new ATOM 1483 N LYS B 33 -6.405 -5.183 -7.815 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.829 -6.112 -8.880 1.00 0.00 C ATOM 1485 C LYS B 33 -6.164 -5.757 -10.227 1.00 0.00 C ATOM 1486 O LYS B 33 -5.276 -6.472 -10.705 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.384 -6.117 -9.012 1.00 0.00 C ATOM 1488 CG LYS B 33 -8.948 -7.091 -10.076 1.00 0.00 C ATOM 1489 CD LYS B 33 -8.502 -8.555 -9.846 1.00 0.00 C ATOM 1490 CE LYS B 33 -8.999 -9.517 -10.935 1.00 0.00 C ATOM 1491 NZ LYS B 33 -8.383 -10.858 -10.792 1.00 0.00 N ATOM 0 H LYS B 33 -5.978 -4.325 -8.164 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.503 -7.115 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.815 -6.372 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.716 -5.107 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.037 -7.042 -10.066 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -8.624 -6.768 -11.065 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -7.413 -8.594 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -8.870 -8.892 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -10.084 -9.605 -10.878 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -8.764 -9.109 -11.918 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -8.738 -11.485 -11.542 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -7.349 -10.775 -10.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -8.629 -11.256 -9.863 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.579 -4.629 -10.803 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.229 -4.230 -12.185 1.00 0.00 C ATOM 1507 C ALA B 34 -5.573 -2.849 -12.155 1.00 0.00 C ATOM 1508 O ALA B 34 -5.467 -2.267 -11.077 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.501 -4.231 -13.042 1.00 0.00 C ATOM 0 H ALA B 34 -7.175 -3.952 -10.326 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.521 -4.934 -12.623 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -7.253 -3.938 -14.062 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.936 -5.231 -13.047 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.220 -3.525 -12.627 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.120 -2.310 -13.317 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.472 -0.984 -13.351 1.00 0.00 C ATOM 1517 C LYS B 35 -5.494 0.128 -13.080 1.00 0.00 C ATOM 1518 O LYS B 35 -5.202 1.039 -12.330 1.00 0.00 O ATOM 1519 CB LYS B 35 -3.654 -0.740 -14.666 1.00 0.00 C ATOM 1520 CG LYS B 35 -4.382 -0.944 -16.028 1.00 0.00 C ATOM 1521 CD LYS B 35 -5.190 0.287 -16.501 1.00 0.00 C ATOM 1522 CE LYS B 35 -5.779 0.114 -17.908 1.00 0.00 C ATOM 1523 NZ LYS B 35 -6.623 -1.104 -18.032 1.00 0.00 N ATOM 0 H LYS B 35 -5.192 -2.769 -14.225 1.00 0.00 H new ATOM 0 HA LYS B 35 -3.737 -0.961 -12.546 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -3.276 0.282 -14.639 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -2.788 -1.401 -14.648 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -3.643 -1.195 -16.789 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -5.055 -1.797 -15.944 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -5.999 0.477 -15.795 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -4.544 1.165 -16.489 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -6.376 0.991 -18.158 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -4.967 0.064 -18.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -7.049 -1.136 -18.980 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -6.035 -1.950 -17.888 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -7.376 -1.079 -17.315 1.00 0.00 H new ATOM 1537 N ALA B 36 -6.700 0.026 -13.683 1.00 0.00 N ATOM 1538 CA ALA B 36 -7.811 0.981 -13.433 1.00 0.00 C ATOM 1539 C ALA B 36 -8.182 0.985 -11.943 1.00 0.00 C ATOM 1540 O ALA B 36 -8.355 2.046 -11.332 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.035 0.640 -14.301 1.00 0.00 C ATOM 0 H ALA B 36 -6.932 -0.710 -14.349 1.00 0.00 H new ATOM 0 HA ALA B 36 -7.475 1.981 -13.709 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -9.834 1.353 -14.099 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -8.760 0.692 -15.354 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.379 -0.367 -14.065 1.00 0.00 H new ATOM 1547 N SER B 37 -8.243 -0.228 -11.370 1.00 0.00 N ATOM 1548 CA SER B 37 -8.512 -0.452 -9.940 1.00 0.00 C ATOM 1549 C SER B 37 -7.348 0.064 -9.068 1.00 0.00 C ATOM 1550 O SER B 37 -7.557 0.474 -7.924 1.00 0.00 O ATOM 1551 CB SER B 37 -8.717 -1.960 -9.705 1.00 0.00 C ATOM 1552 OG SER B 37 -9.577 -2.526 -10.686 1.00 0.00 O ATOM 0 H SER B 37 -8.105 -1.092 -11.894 1.00 0.00 H new ATOM 0 HA SER B 37 -9.409 0.098 -9.657 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.753 -2.468 -9.728 1.00 0.00 H new ATOM 0 HB3 SER B 37 -9.139 -2.121 -8.713 1.00 0.00 H new ATOM 0 HG SER B 37 -9.687 -3.484 -10.511 1.00 0.00 H new ATOM 1558 N ALA B 38 -6.124 0.027 -9.642 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.903 0.495 -8.974 1.00 0.00 C ATOM 1560 C ALA B 38 -4.908 2.028 -8.851 1.00 0.00 C ATOM 1561 O ALA B 38 -4.566 2.538 -7.797 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.632 0.003 -9.695 1.00 0.00 C ATOM 0 H ALA B 38 -5.962 -0.330 -10.584 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.891 0.068 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.750 0.371 -9.170 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.619 -1.087 -9.707 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.627 0.377 -10.719 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.285 2.763 -9.939 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.504 4.231 -9.887 1.00 0.00 C ATOM 1570 C ILE B 39 -6.565 4.580 -8.820 1.00 0.00 C ATOM 1571 O ILE B 39 -6.349 5.494 -8.034 1.00 0.00 O ATOM 1572 CB ILE B 39 -5.926 4.868 -11.296 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.705 5.034 -12.267 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.644 6.241 -11.137 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.170 3.769 -12.892 1.00 0.00 C ATOM 0 H ILE B 39 -5.442 2.356 -10.861 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.542 4.668 -9.619 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.626 4.156 -11.733 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -4.995 5.715 -13.067 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -3.894 5.514 -11.718 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -6.909 6.629 -12.121 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.548 6.112 -10.542 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.978 6.944 -10.637 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.329 4.012 -13.542 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.838 3.088 -12.108 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -4.956 3.292 -13.478 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.696 3.835 -8.811 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.798 4.034 -7.829 1.00 0.00 C ATOM 1589 C HIS B 40 -8.293 3.870 -6.384 1.00 0.00 C ATOM 1590 O HIS B 40 -8.691 4.631 -5.471 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.992 3.071 -8.113 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.976 3.583 -9.137 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -10.972 3.539 -10.490 1.00 0.00 N flip ATOM 1594 CD2 HIS B 40 -12.142 4.234 -8.788 1.00 0.00 C flip ATOM 1595 CE1 HIS B 40 -12.119 4.150 -10.920 1.00 0.00 C flip ATOM 1596 NE2 HIS B 40 -12.806 4.556 -9.874 1.00 0.00 N flip ATOM 0 H HIS B 40 -7.873 3.084 -9.478 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.159 5.056 -7.945 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.598 2.113 -8.453 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.522 2.884 -7.179 1.00 0.00 H new ATOM 0 HD1 HIS B 40 -10.249 3.127 -11.080 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -12.459 4.446 -7.778 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -12.413 4.278 -11.951 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.398 2.888 -6.188 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.706 2.690 -4.920 1.00 0.00 C ATOM 1607 C ALA B 41 -5.877 3.938 -4.589 1.00 0.00 C ATOM 1608 O ALA B 41 -6.082 4.567 -3.560 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.835 1.420 -4.983 1.00 0.00 C ATOM 0 H ALA B 41 -7.139 2.214 -6.908 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.432 2.546 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.323 1.282 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.467 0.555 -5.184 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.098 1.523 -5.779 1.00 0.00 H new ATOM 1615 N ILE B 42 -5.021 4.347 -5.522 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.175 5.540 -5.366 1.00 0.00 C ATOM 1617 C ILE B 42 -5.027 6.809 -5.145 1.00 0.00 C ATOM 1618 O ILE B 42 -4.587 7.732 -4.467 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.234 5.717 -6.599 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.336 4.460 -6.761 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.368 6.993 -6.483 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.620 4.376 -8.078 1.00 0.00 C ATOM 0 H ILE B 42 -4.890 3.864 -6.411 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.558 5.394 -4.480 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.858 5.831 -7.485 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.598 4.449 -5.959 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.953 3.570 -6.639 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.728 7.079 -7.361 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.015 7.868 -6.419 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.750 6.933 -5.587 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -1.016 3.469 -8.107 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.349 4.352 -8.888 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.974 5.246 -8.197 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.283 6.802 -5.642 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.197 7.944 -5.484 1.00 0.00 C ATOM 1636 C GLU B 43 -7.508 8.141 -4.001 1.00 0.00 C ATOM 1637 O GLU B 43 -7.544 9.273 -3.537 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.511 7.778 -6.289 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.376 7.958 -7.813 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.725 7.871 -8.543 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.552 8.794 -8.377 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.975 6.889 -9.273 1.00 0.00 O ATOM 0 H GLU B 43 -6.683 6.016 -6.155 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.695 8.824 -5.885 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.916 6.786 -6.091 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.239 8.499 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.917 8.924 -8.021 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.705 7.195 -8.207 1.00 0.00 H new ATOM 1649 N SER B 44 -7.666 7.010 -3.265 1.00 0.00 N ATOM 1650 CA SER B 44 -7.828 7.015 -1.790 1.00 0.00 C ATOM 1651 C SER B 44 -6.690 7.780 -1.101 1.00 0.00 C ATOM 1652 O SER B 44 -6.928 8.501 -0.118 1.00 0.00 O ATOM 1653 CB SER B 44 -7.849 5.569 -1.242 1.00 0.00 C ATOM 1654 OG SER B 44 -9.057 4.902 -1.570 1.00 0.00 O ATOM 0 H SER B 44 -7.684 6.076 -3.675 1.00 0.00 H new ATOM 0 HA SER B 44 -8.774 7.512 -1.575 1.00 0.00 H new ATOM 0 HB2 SER B 44 -7.004 5.013 -1.649 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.726 5.588 -0.159 1.00 0.00 H new ATOM 0 HG SER B 44 -9.434 4.492 -0.763 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.463 7.619 -1.636 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.272 8.214 -1.034 1.00 0.00 C ATOM 1662 C ILE B 45 -4.338 9.743 -1.178 1.00 0.00 C ATOM 1663 O ILE B 45 -4.064 10.490 -0.232 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.897 7.694 -1.645 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.946 6.195 -2.075 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.791 7.876 -0.599 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -3.040 5.197 -0.947 1.00 0.00 C ATOM 0 H ILE B 45 -5.280 7.081 -2.483 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.279 7.907 0.012 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.700 8.279 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.802 6.052 -2.735 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -2.053 5.973 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.843 7.523 -1.006 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.704 8.931 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -2.038 7.303 0.295 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -3.068 4.187 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -2.172 5.301 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.948 5.381 -0.373 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.744 10.180 -2.384 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.778 11.608 -2.781 1.00 0.00 C ATOM 1681 C LYS B 46 -5.762 12.431 -1.936 1.00 0.00 C ATOM 1682 O LYS B 46 -5.598 13.644 -1.773 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.131 11.766 -4.302 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.510 10.717 -5.268 1.00 0.00 C ATOM 1685 CD LYS B 46 -3.023 10.367 -4.977 1.00 0.00 C ATOM 1686 CE LYS B 46 -2.035 11.471 -5.319 1.00 0.00 C ATOM 1687 NZ LYS B 46 -1.871 11.620 -6.788 1.00 0.00 N ATOM 0 H LYS B 46 -5.062 9.550 -3.120 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.776 11.997 -2.601 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.215 11.728 -4.407 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -4.814 12.758 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -5.101 9.802 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.588 11.092 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -2.921 10.121 -3.920 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.757 9.472 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.379 12.413 -4.893 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.069 11.250 -4.865 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -1.004 12.159 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -1.803 10.680 -7.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -2.691 12.126 -7.179 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.775 11.738 -1.409 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.900 12.375 -0.694 1.00 0.00 C ATOM 1703 C ARG B 47 -7.489 12.894 0.699 1.00 0.00 C ATOM 1704 O ARG B 47 -7.723 14.066 1.014 1.00 0.00 O ATOM 1705 CB ARG B 47 -9.109 11.401 -0.566 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.586 10.778 -1.897 1.00 0.00 C ATOM 1707 CD ARG B 47 -9.778 11.809 -3.036 1.00 0.00 C ATOM 1708 NE ARG B 47 -9.868 11.173 -4.369 1.00 0.00 N ATOM 1709 CZ ARG B 47 -9.423 11.716 -5.521 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -8.812 12.899 -5.528 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -9.592 11.069 -6.667 1.00 0.00 N ATOM 0 H ARG B 47 -6.845 10.722 -1.462 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.201 13.235 -1.293 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.838 10.597 0.118 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.943 11.938 -0.113 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -8.862 10.028 -2.216 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.529 10.259 -1.727 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -10.684 12.385 -2.850 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -8.946 12.513 -3.029 1.00 0.00 H new ATOM 0 HE ARG B 47 -10.301 10.251 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -8.675 13.407 -4.654 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -8.481 13.297 -6.407 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -10.058 10.162 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -9.256 11.479 -7.538 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.863 12.019 1.514 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.601 12.335 2.946 1.00 0.00 C ATOM 1727 C ASN B 48 -5.610 11.353 3.609 1.00 0.00 C ATOM 1728 O ASN B 48 -5.530 11.298 4.825 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.946 12.412 3.746 1.00 0.00 C ATOM 1730 CG ASN B 48 -7.843 13.142 5.102 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -7.619 12.401 6.180 1.00 0.00 O flip ATOM 1732 ND2 ASN B 48 -7.972 14.362 5.174 1.00 0.00 N flip ATOM 0 H ASN B 48 -6.532 11.101 1.217 1.00 0.00 H new ATOM 0 HA ASN B 48 -6.120 13.313 2.972 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.691 12.917 3.131 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -8.309 11.399 3.920 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -8.144 14.907 4.329 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -7.908 14.829 6.078 1.00 0.00 H new ATOM 1739 N SER B 49 -4.843 10.582 2.827 1.00 0.00 N ATOM 1740 CA SER B 49 -3.893 9.593 3.397 1.00 0.00 C ATOM 1741 C SER B 49 -2.732 10.269 4.153 1.00 0.00 C ATOM 1742 O SER B 49 -2.230 9.728 5.146 1.00 0.00 O ATOM 1743 CB SER B 49 -3.345 8.695 2.308 1.00 0.00 C ATOM 1744 OG SER B 49 -2.593 7.625 2.827 1.00 0.00 O ATOM 0 H SER B 49 -4.854 10.616 1.808 1.00 0.00 H new ATOM 0 HA SER B 49 -4.451 8.993 4.116 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.170 8.302 1.714 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.720 9.283 1.635 1.00 0.00 H new ATOM 0 HG SER B 49 -2.669 7.616 3.804 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.311 11.452 3.668 1.00 0.00 N ATOM 1751 CA ALA B 50 -1.326 12.294 4.369 1.00 0.00 C ATOM 1752 C ALA B 50 -1.875 12.811 5.721 1.00 0.00 C ATOM 1753 O ALA B 50 -1.103 13.137 6.632 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.868 13.446 3.459 1.00 0.00 C ATOM 0 H ALA B 50 -2.641 11.847 2.788 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.456 11.680 4.602 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -0.140 14.061 3.989 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.411 13.038 2.558 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.728 14.057 3.185 1.00 0.00 H new ATOM 1760 N GLY B 51 -3.218 12.873 5.833 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.904 13.231 7.079 1.00 0.00 C ATOM 1762 C GLY B 51 -4.494 12.031 7.822 1.00 0.00 C ATOM 1763 O GLY B 51 -5.035 12.195 8.921 1.00 0.00 O ATOM 0 H GLY B 51 -3.852 12.675 5.059 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -3.202 13.744 7.736 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.704 13.937 6.854 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.402 10.823 7.216 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.875 9.557 7.823 1.00 0.00 C ATOM 1769 C ALA B 52 -4.085 9.216 9.094 1.00 0.00 C ATOM 1770 O ALA B 52 -3.091 9.864 9.405 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.788 8.404 6.806 1.00 0.00 C ATOM 0 H ALA B 52 -3.996 10.700 6.289 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.919 9.693 8.107 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -5.140 7.482 7.270 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.409 8.635 5.941 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.753 8.278 6.487 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.537 8.205 9.839 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.868 7.786 11.086 1.00 0.00 C ATOM 1779 C ASP B 53 -3.000 6.538 10.816 1.00 0.00 C ATOM 1780 O ASP B 53 -3.194 5.843 9.816 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.935 7.528 12.181 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.343 7.356 13.591 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.979 8.369 14.228 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.215 6.215 14.066 1.00 0.00 O ATOM 0 H ASP B 53 -5.365 7.657 9.605 1.00 0.00 H new ATOM 0 HA ASP B 53 -3.207 8.575 11.444 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.641 8.359 12.191 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.500 6.633 11.922 1.00 0.00 H new ATOM 1789 N THR B 54 -2.006 6.304 11.676 1.00 0.00 N ATOM 1790 CA THR B 54 -1.116 5.130 11.587 1.00 0.00 C ATOM 1791 C THR B 54 -1.363 4.207 12.800 1.00 0.00 C ATOM 1792 O THR B 54 -1.025 4.554 13.939 1.00 0.00 O ATOM 1793 CB THR B 54 0.382 5.579 11.511 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.540 6.576 10.483 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.328 4.401 11.213 1.00 0.00 C ATOM 0 H THR B 54 -1.790 6.922 12.458 1.00 0.00 H new ATOM 0 HA THR B 54 -1.338 4.576 10.675 1.00 0.00 H new ATOM 0 HB THR B 54 0.646 5.988 12.486 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.478 6.856 10.440 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.356 4.762 11.170 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.238 3.654 12.002 1.00 0.00 H new ATOM 0 HG23 THR B 54 1.060 3.952 10.256 1.00 0.00 H new ATOM 1803 N VAL B 55 -1.976 3.045 12.536 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.437 2.083 13.555 1.00 0.00 C ATOM 1805 C VAL B 55 -1.688 0.754 13.363 1.00 0.00 C ATOM 1806 O VAL B 55 -1.753 0.187 12.280 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.984 1.810 13.392 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.523 0.851 14.473 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.782 3.125 13.375 1.00 0.00 C ATOM 0 H VAL B 55 -2.172 2.737 11.584 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.243 2.498 14.544 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.119 1.317 12.429 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.591 0.693 14.320 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -4.002 -0.104 14.405 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.358 1.285 15.459 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.844 2.905 13.262 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.620 3.661 14.310 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.448 3.742 12.541 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.975 0.271 14.393 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.293 -1.043 14.356 1.00 0.00 C ATOM 1821 C ASP B 56 -1.083 -2.098 15.152 1.00 0.00 C ATOM 1822 O ASP B 56 -1.209 -2.017 16.374 1.00 0.00 O ATOM 1823 CB ASP B 56 1.185 -0.921 14.839 1.00 0.00 C ATOM 1824 CG ASP B 56 1.342 -0.356 16.254 1.00 0.00 C ATOM 1825 OD1 ASP B 56 1.062 0.842 16.466 1.00 0.00 O ATOM 1826 OD2 ASP B 56 1.757 -1.095 17.163 1.00 0.00 O ATOM 0 H ASP B 56 -0.852 0.773 15.272 1.00 0.00 H new ATOM 0 HA ASP B 56 -0.261 -1.384 13.321 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.650 -1.906 14.800 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.731 -0.283 14.143 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.666 -3.057 14.411 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.448 -4.181 14.960 1.00 0.00 C ATOM 1833 C LEU B 57 -1.537 -5.283 15.533 1.00 0.00 C ATOM 1834 O LEU B 57 -1.958 -6.036 16.415 1.00 0.00 O ATOM 1835 CB LEU B 57 -3.351 -4.787 13.845 1.00 0.00 C ATOM 1836 CG LEU B 57 -4.626 -3.978 13.415 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.327 -2.502 13.082 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -5.300 -4.675 12.216 1.00 0.00 C ATOM 0 H LEU B 57 -1.606 -3.073 13.393 1.00 0.00 H new ATOM 0 HA LEU B 57 -3.062 -3.792 15.772 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.734 -4.936 12.959 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.676 -5.773 14.176 1.00 0.00 H new ATOM 0 HG LEU B 57 -5.302 -3.966 14.270 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.250 -2.000 12.792 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.906 -2.009 13.958 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -3.613 -2.452 12.260 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -6.185 -4.112 11.919 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -4.601 -4.720 11.381 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -5.591 -5.686 12.500 1.00 0.00 H new ATOM 1850 N THR B 58 -0.271 -5.335 15.065 1.00 0.00 N ATOM 1851 CA THR B 58 0.654 -6.444 15.372 1.00 0.00 C ATOM 1852 C THR B 58 1.519 -6.115 16.597 1.00 0.00 C ATOM 1853 O THR B 58 2.455 -6.844 16.870 1.00 0.00 O ATOM 1854 CB THR B 58 1.568 -6.762 14.130 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.339 -7.961 14.337 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.521 -5.592 13.769 1.00 0.00 C ATOM 0 H THR B 58 0.135 -4.614 14.468 1.00 0.00 H new ATOM 0 HA THR B 58 0.056 -7.326 15.602 1.00 0.00 H new ATOM 0 HB THR B 58 0.887 -6.910 13.292 1.00 0.00 H new ATOM 0 HG1 THR B 58 2.632 -8.004 15.271 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.126 -5.869 12.906 1.00 0.00 H new ATOM 0 HG22 THR B 58 1.934 -4.705 13.531 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.173 -5.379 14.616 1.00 0.00 H new ATOM 1864 N THR B 59 1.154 -5.019 17.314 1.00 0.00 N ATOM 1865 CA THR B 59 1.906 -4.417 18.450 1.00 0.00 C ATOM 1866 C THR B 59 2.732 -5.430 19.282 1.00 0.00 C ATOM 1867 O THR B 59 3.939 -5.244 19.478 1.00 0.00 O ATOM 1868 CB THR B 59 0.938 -3.647 19.394 1.00 0.00 C ATOM 1869 OG1 THR B 59 -0.099 -3.019 18.629 1.00 0.00 O ATOM 1870 CG2 THR B 59 1.671 -2.575 20.210 1.00 0.00 C ATOM 0 H THR B 59 0.294 -4.510 17.109 1.00 0.00 H new ATOM 0 HA THR B 59 2.623 -3.737 17.990 1.00 0.00 H new ATOM 0 HB THR B 59 0.511 -4.375 20.084 1.00 0.00 H new ATOM 0 HG1 THR B 59 0.301 -2.407 17.976 1.00 0.00 H new ATOM 0 HG21 THR B 59 0.960 -2.060 20.856 1.00 0.00 H new ATOM 0 HG22 THR B 59 2.441 -3.046 20.821 1.00 0.00 H new ATOM 0 HG23 THR B 59 2.133 -1.856 19.534 1.00 0.00 H new ATOM 1878 N MET B 60 2.063 -6.509 19.737 1.00 0.00 N ATOM 1879 CA MET B 60 2.736 -7.677 20.331 1.00 0.00 C ATOM 1880 C MET B 60 3.374 -8.506 19.193 1.00 0.00 C ATOM 1881 O MET B 60 2.800 -9.487 18.714 1.00 0.00 O ATOM 1882 CB MET B 60 1.735 -8.524 21.166 1.00 0.00 C ATOM 1883 CG MET B 60 1.135 -7.784 22.372 1.00 0.00 C ATOM 1884 SD MET B 60 2.402 -7.205 23.528 1.00 0.00 S ATOM 1885 CE MET B 60 1.405 -6.553 24.873 1.00 0.00 C ATOM 0 H MET B 60 1.047 -6.593 19.702 1.00 0.00 H new ATOM 0 HA MET B 60 3.518 -7.349 21.016 1.00 0.00 H new ATOM 0 HB2 MET B 60 0.924 -8.853 20.516 1.00 0.00 H new ATOM 0 HB3 MET B 60 2.243 -9.421 21.520 1.00 0.00 H new ATOM 0 HG2 MET B 60 0.553 -6.933 22.019 1.00 0.00 H new ATOM 0 HG3 MET B 60 0.446 -8.447 22.895 1.00 0.00 H new ATOM 0 HE1 MET B 60 2.058 -6.164 25.654 1.00 0.00 H new ATOM 0 HE2 MET B 60 0.769 -5.751 24.499 1.00 0.00 H new ATOM 0 HE3 MET B 60 0.783 -7.348 25.283 1.00 0.00 H new ATOM 1895 N THR B 61 4.536 -8.031 18.711 1.00 0.00 N ATOM 1896 CA THR B 61 5.185 -8.555 17.503 1.00 0.00 C ATOM 1897 C THR B 61 5.890 -9.894 17.778 1.00 0.00 C ATOM 1898 O THR B 61 6.683 -10.002 18.725 1.00 0.00 O ATOM 1899 CB THR B 61 6.195 -7.514 16.923 1.00 0.00 C ATOM 1900 OG1 THR B 61 7.170 -7.152 17.917 1.00 0.00 O ATOM 1901 CG2 THR B 61 5.479 -6.245 16.416 1.00 0.00 C ATOM 0 H THR B 61 5.051 -7.269 19.153 1.00 0.00 H new ATOM 0 HA THR B 61 4.406 -8.735 16.762 1.00 0.00 H new ATOM 0 HB THR B 61 6.695 -7.985 16.076 1.00 0.00 H new ATOM 0 HG1 THR B 61 7.307 -7.904 18.530 1.00 0.00 H new ATOM 0 HG21 THR B 61 6.215 -5.545 16.020 1.00 0.00 H new ATOM 0 HG22 THR B 61 4.775 -6.514 15.629 1.00 0.00 H new ATOM 0 HG23 THR B 61 4.940 -5.777 17.240 1.00 0.00 H new ATOM 1909 N ALA B 62 5.564 -10.905 16.961 1.00 0.00 N ATOM 1910 CA ALA B 62 6.180 -12.231 17.038 1.00 0.00 C ATOM 1911 C ALA B 62 7.604 -12.172 16.434 1.00 0.00 C ATOM 1912 O ALA B 62 7.725 -12.041 15.200 1.00 0.00 O ATOM 1913 CB ALA B 62 5.282 -13.267 16.331 1.00 0.00 C ATOM 1914 OXT ALA B 62 8.595 -12.232 17.197 1.00 0.00 O ATOM 0 H ALA B 62 4.862 -10.823 16.226 1.00 0.00 H new ATOM 0 HA ALA B 62 6.276 -12.545 18.077 1.00 0.00 H new ATOM 0 HB1 ALA B 62 5.745 -14.252 16.391 1.00 0.00 H new ATOM 0 HB2 ALA B 62 4.307 -13.295 16.817 1.00 0.00 H new ATOM 0 HB3 ALA B 62 5.159 -12.988 15.285 1.00 0.00 H new TER 1920 ALA B 62