USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.12 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0817 USER MOD Single : A 8 CYS SG : rot 88:sc= 0.278 USER MOD Single : A 9 SER OG : rot 80:sc= 0.554 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 152:sc= 0.0443 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -163:sc= 0.975 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 82:sc= 0.98 USER MOD Single : A 29 GLN : amide:sc= 0.239 X(o=0.24,f=-0.11) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 33 THR OG1 : rot 150:sc= 0.033 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.48) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 127:sc= -0.0287 (180deg=-0.721) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 135:sc= -0.0566 (180deg=-0.562) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0367) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.613 -14.255 -7.849 1.00 0.00 N ATOM 2 CA GLY A 1 9.890 -13.846 -7.261 1.00 0.00 C ATOM 3 C GLY A 1 10.296 -12.480 -7.787 1.00 0.00 C ATOM 4 O GLY A 1 10.710 -12.395 -8.944 1.00 0.00 O ATOM 0 H1 GLY A 1 8.346 -15.191 -7.482 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.878 -13.562 -7.600 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.707 -14.303 -8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.805 -13.815 -6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.660 -14.579 -7.500 1.00 0.00 H new ATOM 8 N PRO A 2 10.151 -11.399 -7.002 1.00 0.00 N ATOM 9 CA PRO A 2 10.531 -10.061 -7.439 1.00 0.00 C ATOM 10 C PRO A 2 12.059 -9.949 -7.509 1.00 0.00 C ATOM 11 O PRO A 2 12.772 -10.716 -6.855 1.00 0.00 O ATOM 12 CB PRO A 2 9.923 -9.113 -6.402 1.00 0.00 C ATOM 13 CG PRO A 2 9.851 -9.955 -5.128 1.00 0.00 C ATOM 14 CD PRO A 2 9.676 -11.388 -5.628 1.00 0.00 C ATOM 0 HA PRO A 2 10.168 -9.819 -8.438 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.542 -8.227 -6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.936 -8.767 -6.708 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.757 -9.850 -4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.016 -9.650 -4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.244 -12.087 -5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.631 -11.694 -5.575 1.00 0.00 H new ATOM 22 N LEU A 3 12.576 -8.991 -8.277 1.00 0.00 N ATOM 23 CA LEU A 3 14.010 -8.771 -8.445 1.00 0.00 C ATOM 24 C LEU A 3 14.238 -7.278 -8.651 1.00 0.00 C ATOM 25 O LEU A 3 13.481 -6.637 -9.381 1.00 0.00 O ATOM 26 CB LEU A 3 14.503 -9.610 -9.645 1.00 0.00 C ATOM 27 CG LEU A 3 15.990 -10.018 -9.648 1.00 0.00 C ATOM 28 CD1 LEU A 3 16.958 -8.852 -9.884 1.00 0.00 C ATOM 29 CD2 LEU A 3 16.367 -10.790 -8.377 1.00 0.00 C ATOM 0 H LEU A 3 12.001 -8.337 -8.808 1.00 0.00 H new ATOM 0 HA LEU A 3 14.575 -9.086 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.902 -10.518 -9.693 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.304 -9.047 -10.557 1.00 0.00 H new ATOM 0 HG LEU A 3 16.101 -10.680 -10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 3 17.983 -9.222 -9.872 1.00 0.00 H new ATOM 0 HD12 LEU A 3 16.749 -8.395 -10.851 1.00 0.00 H new ATOM 0 HD13 LEU A 3 16.831 -8.109 -9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 3 17.422 -11.061 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.184 -10.164 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 3 15.763 -11.695 -8.308 1.00 0.00 H new ATOM 41 N GLY A 4 15.255 -6.707 -8.009 1.00 0.00 N ATOM 42 CA GLY A 4 15.577 -5.292 -8.116 1.00 0.00 C ATOM 43 C GLY A 4 14.739 -4.517 -7.119 1.00 0.00 C ATOM 44 O GLY A 4 15.277 -4.020 -6.130 1.00 0.00 O ATOM 0 H GLY A 4 15.884 -7.223 -7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.637 -5.132 -7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.382 -4.937 -9.128 1.00 0.00 H new ATOM 48 N SER A 5 13.427 -4.461 -7.343 1.00 0.00 N ATOM 49 CA SER A 5 12.438 -3.783 -6.504 1.00 0.00 C ATOM 50 C SER A 5 12.187 -4.529 -5.179 1.00 0.00 C ATOM 51 O SER A 5 11.166 -4.347 -4.513 1.00 0.00 O ATOM 52 CB SER A 5 11.165 -3.527 -7.328 1.00 0.00 C ATOM 53 OG SER A 5 10.949 -4.513 -8.334 1.00 0.00 O ATOM 0 H SER A 5 13.003 -4.910 -8.155 1.00 0.00 H new ATOM 0 HA SER A 5 12.829 -2.814 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.304 -3.502 -6.660 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.233 -2.545 -7.797 1.00 0.00 H new ATOM 0 HG SER A 5 10.128 -4.304 -8.826 1.00 0.00 H new ATOM 59 N THR A 6 13.089 -5.437 -4.812 1.00 0.00 N ATOM 60 CA THR A 6 13.048 -6.225 -3.599 1.00 0.00 C ATOM 61 C THR A 6 13.302 -5.349 -2.364 1.00 0.00 C ATOM 62 O THR A 6 13.070 -5.800 -1.242 1.00 0.00 O ATOM 63 CB THR A 6 14.075 -7.362 -3.733 1.00 0.00 C ATOM 64 OG1 THR A 6 15.284 -6.933 -4.330 1.00 0.00 O ATOM 65 CG2 THR A 6 13.538 -8.476 -4.630 1.00 0.00 C ATOM 0 H THR A 6 13.905 -5.647 -5.386 1.00 0.00 H new ATOM 0 HA THR A 6 12.057 -6.657 -3.460 1.00 0.00 H new ATOM 0 HB THR A 6 14.257 -7.708 -2.715 1.00 0.00 H new ATOM 0 HG1 THR A 6 15.905 -7.689 -4.392 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.282 -9.269 -4.710 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.622 -8.880 -4.200 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.327 -8.075 -5.621 1.00 0.00 H new ATOM 73 N ASP A 7 13.750 -4.108 -2.561 1.00 0.00 N ATOM 74 CA ASP A 7 14.064 -3.108 -1.551 1.00 0.00 C ATOM 75 C ASP A 7 12.852 -2.242 -1.194 1.00 0.00 C ATOM 76 O ASP A 7 12.558 -2.029 -0.015 1.00 0.00 O ATOM 77 CB ASP A 7 15.211 -2.229 -2.087 1.00 0.00 C ATOM 78 CG ASP A 7 14.835 -1.302 -3.251 1.00 0.00 C ATOM 79 OD1 ASP A 7 15.323 -0.151 -3.260 1.00 0.00 O ATOM 80 OD2 ASP A 7 14.081 -1.713 -4.164 1.00 0.00 O ATOM 0 H ASP A 7 13.914 -3.754 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 7 14.362 -3.617 -0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 7 15.594 -1.620 -1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 7 16.025 -2.878 -2.409 1.00 0.00 H new ATOM 85 N CYS A 8 12.102 -1.793 -2.198 1.00 0.00 N ATOM 86 CA CYS A 8 10.931 -0.948 -2.082 1.00 0.00 C ATOM 87 C CYS A 8 9.722 -1.715 -2.597 1.00 0.00 C ATOM 88 O CYS A 8 9.540 -1.872 -3.804 1.00 0.00 O ATOM 89 CB CYS A 8 11.158 0.341 -2.880 1.00 0.00 C ATOM 90 SG CYS A 8 12.501 1.311 -2.135 1.00 0.00 S ATOM 0 H CYS A 8 12.314 -2.027 -3.168 1.00 0.00 H new ATOM 0 HA CYS A 8 10.752 -0.675 -1.042 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.405 0.099 -3.914 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.242 0.931 -2.901 1.00 0.00 H new ATOM 0 HG CYS A 8 13.639 0.934 -2.638 1.00 0.00 H new ATOM 96 N SER A 9 8.888 -2.195 -1.681 1.00 0.00 N ATOM 97 CA SER A 9 7.672 -2.949 -1.928 1.00 0.00 C ATOM 98 C SER A 9 6.726 -2.696 -0.745 1.00 0.00 C ATOM 99 O SER A 9 7.189 -2.287 0.322 1.00 0.00 O ATOM 100 CB SER A 9 8.071 -4.421 -2.060 1.00 0.00 C ATOM 101 OG SER A 9 8.575 -4.723 -3.349 1.00 0.00 O ATOM 0 H SER A 9 9.057 -2.057 -0.685 1.00 0.00 H new ATOM 0 HA SER A 9 7.156 -2.652 -2.841 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.826 -4.660 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.206 -5.051 -1.853 1.00 0.00 H new ATOM 0 HG SER A 9 9.511 -4.440 -3.409 1.00 0.00 H new ATOM 107 N ILE A 10 5.417 -2.949 -0.909 1.00 0.00 N ATOM 108 CA ILE A 10 4.374 -2.748 0.115 1.00 0.00 C ATOM 109 C ILE A 10 4.781 -3.343 1.446 1.00 0.00 C ATOM 110 O ILE A 10 4.374 -2.812 2.472 1.00 0.00 O ATOM 111 CB ILE A 10 3.023 -3.369 -0.331 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.398 -2.538 -1.455 1.00 0.00 C ATOM 113 CG2 ILE A 10 1.973 -3.585 0.775 1.00 0.00 C ATOM 114 CD1 ILE A 10 1.719 -1.240 -1.034 1.00 0.00 C ATOM 0 H ILE A 10 5.042 -3.311 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 10 4.252 -1.671 0.233 1.00 0.00 H new ATOM 0 HB ILE A 10 3.296 -4.369 -0.669 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.178 -2.298 -2.178 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.664 -3.157 -1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.074 -4.023 0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.376 -4.257 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.725 -2.628 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.315 -0.739 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.910 -1.462 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.447 -0.590 -0.548 1.00 0.00 H new ATOM 126 N VAL A 11 5.559 -4.422 1.427 1.00 0.00 N ATOM 127 CA VAL A 11 5.999 -5.071 2.662 1.00 0.00 C ATOM 128 C VAL A 11 6.574 -4.065 3.668 1.00 0.00 C ATOM 129 O VAL A 11 6.143 -4.056 4.817 1.00 0.00 O ATOM 130 CB VAL A 11 6.987 -6.217 2.394 1.00 0.00 C ATOM 131 CG1 VAL A 11 6.283 -7.436 1.784 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.151 -5.843 1.472 1.00 0.00 C ATOM 0 H VAL A 11 5.898 -4.866 0.573 1.00 0.00 H new ATOM 0 HA VAL A 11 5.109 -5.510 3.113 1.00 0.00 H new ATOM 0 HB VAL A 11 7.394 -6.450 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.012 -8.227 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.517 -7.795 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.819 -7.153 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.800 -6.708 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.761 -5.526 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.722 -5.029 1.918 1.00 0.00 H new ATOM 142 N SER A 12 7.482 -3.183 3.239 1.00 0.00 N ATOM 143 CA SER A 12 8.093 -2.195 4.120 1.00 0.00 C ATOM 144 C SER A 12 7.058 -1.161 4.587 1.00 0.00 C ATOM 145 O SER A 12 7.081 -0.717 5.738 1.00 0.00 O ATOM 146 CB SER A 12 9.282 -1.577 3.377 1.00 0.00 C ATOM 147 OG SER A 12 10.167 -0.902 4.244 1.00 0.00 O ATOM 0 H SER A 12 7.810 -3.137 2.274 1.00 0.00 H new ATOM 0 HA SER A 12 8.462 -2.660 5.034 1.00 0.00 H new ATOM 0 HB2 SER A 12 9.824 -2.361 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.914 -0.880 2.624 1.00 0.00 H new ATOM 0 HG SER A 12 10.909 -0.526 3.726 1.00 0.00 H new ATOM 153 N PHE A 13 6.135 -0.758 3.702 1.00 0.00 N ATOM 154 CA PHE A 13 5.104 0.215 4.073 1.00 0.00 C ATOM 155 C PHE A 13 4.209 -0.403 5.157 1.00 0.00 C ATOM 156 O PHE A 13 3.939 0.212 6.188 1.00 0.00 O ATOM 157 CB PHE A 13 4.316 0.668 2.827 1.00 0.00 C ATOM 158 CG PHE A 13 3.077 1.528 3.075 1.00 0.00 C ATOM 159 CD1 PHE A 13 1.969 1.415 2.208 1.00 0.00 C ATOM 160 CD2 PHE A 13 3.023 2.461 4.133 1.00 0.00 C ATOM 161 CE1 PHE A 13 0.805 2.176 2.433 1.00 0.00 C ATOM 162 CE2 PHE A 13 1.861 3.221 4.359 1.00 0.00 C ATOM 163 CZ PHE A 13 0.744 3.050 3.527 1.00 0.00 C ATOM 0 H PHE A 13 6.083 -1.087 2.738 1.00 0.00 H new ATOM 0 HA PHE A 13 5.559 1.115 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.993 1.225 2.180 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.009 -0.221 2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.014 0.740 1.366 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.882 2.593 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.038 2.086 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.829 3.934 5.170 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.166 3.594 3.730 1.00 0.00 H new ATOM 173 N PHE A 14 3.759 -1.635 4.930 1.00 0.00 N ATOM 174 CA PHE A 14 2.909 -2.410 5.819 1.00 0.00 C ATOM 175 C PHE A 14 3.596 -2.674 7.147 1.00 0.00 C ATOM 176 O PHE A 14 2.941 -2.535 8.184 1.00 0.00 O ATOM 177 CB PHE A 14 2.500 -3.704 5.108 1.00 0.00 C ATOM 178 CG PHE A 14 1.236 -3.590 4.277 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.526 -4.761 3.968 1.00 0.00 C ATOM 180 CD2 PHE A 14 0.751 -2.346 3.821 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.649 -4.701 3.204 1.00 0.00 C ATOM 182 CE2 PHE A 14 -0.440 -2.281 3.086 1.00 0.00 C ATOM 183 CZ PHE A 14 -1.140 -3.459 2.774 1.00 0.00 C ATOM 0 H PHE A 14 3.992 -2.142 4.076 1.00 0.00 H new ATOM 0 HA PHE A 14 2.009 -1.843 6.054 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.318 -4.023 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.360 -4.486 5.855 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.887 -5.716 4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.299 -1.441 4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.175 -5.609 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.821 -1.325 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.056 -3.408 2.203 1.00 0.00 H new ATOM 193 N ALA A 15 4.893 -2.988 7.126 1.00 0.00 N ATOM 194 CA ALA A 15 5.673 -3.234 8.324 1.00 0.00 C ATOM 195 C ALA A 15 5.573 -1.978 9.187 1.00 0.00 C ATOM 196 O ALA A 15 5.156 -2.062 10.345 1.00 0.00 O ATOM 197 CB ALA A 15 7.111 -3.603 7.953 1.00 0.00 C ATOM 0 H ALA A 15 5.430 -3.078 6.263 1.00 0.00 H new ATOM 0 HA ALA A 15 5.293 -4.083 8.893 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.686 -3.785 8.861 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.109 -4.503 7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.564 -2.784 7.395 1.00 0.00 H new ATOM 203 N ARG A 16 5.834 -0.805 8.594 1.00 0.00 N ATOM 204 CA ARG A 16 5.755 0.467 9.301 1.00 0.00 C ATOM 205 C ARG A 16 4.355 0.706 9.863 1.00 0.00 C ATOM 206 O ARG A 16 4.250 1.109 11.022 1.00 0.00 O ATOM 207 CB ARG A 16 6.224 1.620 8.412 1.00 0.00 C ATOM 208 CG ARG A 16 7.760 1.630 8.267 1.00 0.00 C ATOM 209 CD ARG A 16 8.379 3.023 8.426 1.00 0.00 C ATOM 210 NE ARG A 16 8.031 3.605 9.727 1.00 0.00 N ATOM 211 CZ ARG A 16 8.148 4.878 10.093 1.00 0.00 C ATOM 212 NH1 ARG A 16 8.834 5.758 9.371 1.00 0.00 N ATOM 213 NH2 ARG A 16 7.542 5.272 11.203 1.00 0.00 N ATOM 0 H ARG A 16 6.104 -0.718 7.614 1.00 0.00 H new ATOM 0 HA ARG A 16 6.433 0.421 10.153 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.765 1.532 7.427 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.891 2.567 8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.192 0.962 9.012 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.027 1.232 7.288 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.463 2.957 8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.028 3.675 7.626 1.00 0.00 H new ATOM 0 HE ARG A 16 7.659 2.963 10.427 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.290 5.464 8.507 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.904 6.727 9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.002 4.604 11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.615 6.243 11.507 1.00 0.00 H new ATOM 227 N LEU A 17 3.293 0.423 9.099 1.00 0.00 N ATOM 228 CA LEU A 17 1.919 0.617 9.583 1.00 0.00 C ATOM 229 C LEU A 17 1.646 -0.283 10.786 1.00 0.00 C ATOM 230 O LEU A 17 0.965 0.144 11.723 1.00 0.00 O ATOM 231 CB LEU A 17 0.849 0.240 8.533 1.00 0.00 C ATOM 232 CG LEU A 17 0.748 1.127 7.290 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.337 0.589 6.346 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.420 2.583 7.648 1.00 0.00 C ATOM 0 H LEU A 17 3.357 0.061 8.148 1.00 0.00 H new ATOM 0 HA LEU A 17 1.849 1.677 9.826 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.042 -0.781 8.205 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.123 0.238 9.026 1.00 0.00 H new ATOM 0 HG LEU A 17 1.721 1.106 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.401 1.227 5.465 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.083 -0.426 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.298 0.584 6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.358 3.177 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.535 2.623 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.204 2.985 8.290 1.00 0.00 H new ATOM 246 N GLY A 18 2.137 -1.522 10.742 1.00 0.00 N ATOM 247 CA GLY A 18 1.975 -2.544 11.764 1.00 0.00 C ATOM 248 C GLY A 18 1.162 -3.737 11.245 1.00 0.00 C ATOM 249 O GLY A 18 0.666 -4.522 12.050 1.00 0.00 O ATOM 0 H GLY A 18 2.687 -1.852 9.949 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.955 -2.887 12.095 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.477 -2.114 12.633 1.00 0.00 H new ATOM 253 N CYS A 19 0.967 -3.871 9.925 1.00 0.00 N ATOM 254 CA CYS A 19 0.209 -4.984 9.345 1.00 0.00 C ATOM 255 C CYS A 19 0.868 -6.346 9.624 1.00 0.00 C ATOM 256 O CYS A 19 2.041 -6.426 9.999 1.00 0.00 O ATOM 257 CB CYS A 19 0.034 -4.761 7.842 1.00 0.00 C ATOM 258 SG CYS A 19 -0.671 -3.120 7.488 1.00 0.00 S ATOM 0 H CYS A 19 1.329 -3.213 9.234 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.770 -5.007 9.823 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.999 -4.859 7.344 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.616 -5.534 7.432 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.278 -2.723 6.314 1.00 0.00 H new ATOM 264 N SER A 20 0.115 -7.425 9.396 1.00 0.00 N ATOM 265 CA SER A 20 0.541 -8.808 9.584 1.00 0.00 C ATOM 266 C SER A 20 0.212 -9.558 8.286 1.00 0.00 C ATOM 267 O SER A 20 0.766 -9.186 7.251 1.00 0.00 O ATOM 268 CB SER A 20 -0.091 -9.343 10.881 1.00 0.00 C ATOM 269 OG SER A 20 0.307 -10.662 11.202 1.00 0.00 O ATOM 0 H SER A 20 -0.846 -7.353 9.062 1.00 0.00 H new ATOM 0 HA SER A 20 1.612 -8.938 9.738 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.175 -8.681 11.705 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.176 -9.313 10.786 1.00 0.00 H new ATOM 0 HG SER A 20 -0.127 -10.941 12.035 1.00 0.00 H new ATOM 275 N SER A 21 -0.767 -10.470 8.277 1.00 0.00 N ATOM 276 CA SER A 21 -1.167 -11.272 7.114 1.00 0.00 C ATOM 277 C SER A 21 -1.466 -10.462 5.854 1.00 0.00 C ATOM 278 O SER A 21 -1.412 -11.001 4.754 1.00 0.00 O ATOM 279 CB SER A 21 -2.382 -12.124 7.483 1.00 0.00 C ATOM 280 OG SER A 21 -2.105 -12.869 8.653 1.00 0.00 O ATOM 0 H SER A 21 -1.322 -10.677 9.107 1.00 0.00 H new ATOM 0 HA SER A 21 -0.307 -11.894 6.864 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.250 -11.485 7.644 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.629 -12.797 6.662 1.00 0.00 H new ATOM 0 HG SER A 21 -2.886 -13.412 8.887 1.00 0.00 H new ATOM 286 N CYS A 22 -1.783 -9.172 5.973 1.00 0.00 N ATOM 287 CA CYS A 22 -2.046 -8.361 4.796 1.00 0.00 C ATOM 288 C CYS A 22 -0.792 -8.315 3.908 1.00 0.00 C ATOM 289 O CYS A 22 -0.915 -8.263 2.685 1.00 0.00 O ATOM 290 CB CYS A 22 -2.505 -6.960 5.214 1.00 0.00 C ATOM 291 SG CYS A 22 -3.957 -7.065 6.302 1.00 0.00 S ATOM 0 H CYS A 22 -1.862 -8.677 6.861 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.851 -8.807 4.213 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.694 -6.444 5.728 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.748 -6.371 4.329 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.539 -5.904 6.362 1.00 0.00 H new ATOM 297 N LEU A 23 0.406 -8.310 4.509 1.00 0.00 N ATOM 298 CA LEU A 23 1.662 -8.281 3.779 1.00 0.00 C ATOM 299 C LEU A 23 1.815 -9.592 3.024 1.00 0.00 C ATOM 300 O LEU A 23 2.254 -9.555 1.876 1.00 0.00 O ATOM 301 CB LEU A 23 2.859 -7.980 4.718 1.00 0.00 C ATOM 302 CG LEU A 23 3.549 -9.182 5.417 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.671 -9.807 4.567 1.00 0.00 C ATOM 304 CD2 LEU A 23 4.182 -8.743 6.736 1.00 0.00 C ATOM 0 H LEU A 23 0.522 -8.326 5.522 1.00 0.00 H new ATOM 0 HA LEU A 23 1.652 -7.466 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.615 -7.450 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.514 -7.295 5.492 1.00 0.00 H new ATOM 0 HG LEU A 23 2.763 -9.921 5.573 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.115 -10.642 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.257 -10.165 3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.436 -9.057 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.661 -9.598 7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.927 -7.971 6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.410 -8.346 7.395 1.00 0.00 H new ATOM 316 N ASP A 24 1.442 -10.700 3.675 1.00 0.00 N ATOM 317 CA ASP A 24 1.511 -12.068 3.179 1.00 0.00 C ATOM 318 C ASP A 24 0.640 -12.238 1.950 1.00 0.00 C ATOM 319 O ASP A 24 1.102 -12.714 0.914 1.00 0.00 O ATOM 320 CB ASP A 24 1.103 -13.067 4.255 1.00 0.00 C ATOM 321 CG ASP A 24 1.273 -14.470 3.705 1.00 0.00 C ATOM 322 OD1 ASP A 24 2.405 -14.991 3.794 1.00 0.00 O ATOM 323 OD2 ASP A 24 0.285 -15.056 3.212 1.00 0.00 O ATOM 0 H ASP A 24 1.061 -10.656 4.620 1.00 0.00 H new ATOM 0 HA ASP A 24 2.547 -12.268 2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.716 -12.934 5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.068 -12.900 4.552 1.00 0.00 H new ATOM 328 N TYR A 25 -0.610 -11.789 2.047 1.00 0.00 N ATOM 329 CA TYR A 25 -1.555 -11.869 0.952 1.00 0.00 C ATOM 330 C TYR A 25 -1.015 -11.073 -0.236 1.00 0.00 C ATOM 331 O TYR A 25 -0.994 -11.578 -1.361 1.00 0.00 O ATOM 332 CB TYR A 25 -2.930 -11.391 1.439 1.00 0.00 C ATOM 333 CG TYR A 25 -3.522 -12.201 2.590 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.204 -11.551 3.639 1.00 0.00 C ATOM 335 CD2 TYR A 25 -3.399 -13.606 2.621 1.00 0.00 C ATOM 336 CE1 TYR A 25 -4.775 -12.289 4.692 1.00 0.00 C ATOM 337 CE2 TYR A 25 -3.960 -14.349 3.673 1.00 0.00 C ATOM 338 CZ TYR A 25 -4.660 -13.698 4.710 1.00 0.00 C ATOM 339 OH TYR A 25 -5.204 -14.442 5.709 1.00 0.00 O ATOM 0 H TYR A 25 -0.990 -11.360 2.891 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.682 -12.896 0.609 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.847 -10.350 1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.626 -11.417 0.600 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.289 -10.474 3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.869 -14.115 1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.301 -11.780 5.486 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.855 -15.424 3.688 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.021 -15.391 5.547 1.00 0.00 H new ATOM 349 N PHE A 26 -0.554 -9.838 -0.016 1.00 0.00 N ATOM 350 CA PHE A 26 -0.007 -9.034 -1.102 1.00 0.00 C ATOM 351 C PHE A 26 1.178 -9.706 -1.812 1.00 0.00 C ATOM 352 O PHE A 26 1.233 -9.735 -3.044 1.00 0.00 O ATOM 353 CB PHE A 26 0.490 -7.707 -0.523 1.00 0.00 C ATOM 354 CG PHE A 26 -0.384 -6.519 -0.798 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.127 -5.709 -1.914 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.419 -6.188 0.082 1.00 0.00 C ATOM 357 CE1 PHE A 26 -0.838 -4.518 -2.114 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.153 -5.018 -0.129 1.00 0.00 C ATOM 359 CZ PHE A 26 -1.849 -4.162 -1.206 1.00 0.00 C ATOM 0 H PHE A 26 -0.550 -9.381 0.896 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.804 -8.899 -1.833 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.595 -7.817 0.556 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.484 -7.506 -0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.627 -6.007 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.649 -6.832 0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.611 -3.881 -2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.962 -4.767 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.391 -3.236 -1.333 1.00 0.00 H new ATOM 369 N THR A 27 2.154 -10.172 -1.031 1.00 0.00 N ATOM 370 CA THR A 27 3.381 -10.794 -1.515 1.00 0.00 C ATOM 371 C THR A 27 3.096 -12.105 -2.236 1.00 0.00 C ATOM 372 O THR A 27 3.563 -12.281 -3.364 1.00 0.00 O ATOM 373 CB THR A 27 4.450 -10.777 -0.399 1.00 0.00 C ATOM 374 OG1 THR A 27 5.752 -10.913 -0.918 1.00 0.00 O ATOM 375 CG2 THR A 27 4.262 -11.773 0.738 1.00 0.00 C ATOM 0 H THR A 27 2.108 -10.124 -0.013 1.00 0.00 H new ATOM 0 HA THR A 27 3.844 -10.213 -2.313 1.00 0.00 H new ATOM 0 HB THR A 27 4.308 -9.792 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.400 -10.896 -0.183 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.075 -11.663 1.456 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.311 -11.583 1.235 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.266 -12.787 0.338 1.00 0.00 H new ATOM 383 N THR A 28 2.252 -12.967 -1.672 1.00 0.00 N ATOM 384 CA THR A 28 1.907 -14.231 -2.300 1.00 0.00 C ATOM 385 C THR A 28 1.281 -13.955 -3.674 1.00 0.00 C ATOM 386 O THR A 28 1.592 -14.653 -4.641 1.00 0.00 O ATOM 387 CB THR A 28 0.990 -15.028 -1.361 1.00 0.00 C ATOM 388 OG1 THR A 28 1.659 -15.237 -0.136 1.00 0.00 O ATOM 389 CG2 THR A 28 0.643 -16.408 -1.919 1.00 0.00 C ATOM 0 H THR A 28 1.794 -12.807 -0.775 1.00 0.00 H new ATOM 0 HA THR A 28 2.792 -14.843 -2.471 1.00 0.00 H new ATOM 0 HB THR A 28 0.073 -14.450 -1.243 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.573 -14.437 0.424 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.007 -16.931 -1.218 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.130 -16.296 -2.874 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.558 -16.983 -2.063 1.00 0.00 H new ATOM 397 N GLN A 29 0.452 -12.911 -3.802 1.00 0.00 N ATOM 398 CA GLN A 29 -0.178 -12.576 -5.075 1.00 0.00 C ATOM 399 C GLN A 29 0.785 -11.913 -6.065 1.00 0.00 C ATOM 400 O GLN A 29 0.499 -11.873 -7.261 1.00 0.00 O ATOM 401 CB GLN A 29 -1.338 -11.630 -4.803 1.00 0.00 C ATOM 402 CG GLN A 29 -2.479 -12.326 -4.068 1.00 0.00 C ATOM 403 CD GLN A 29 -3.582 -11.319 -3.799 1.00 0.00 C ATOM 404 OE1 GLN A 29 -4.494 -11.137 -4.601 1.00 0.00 O ATOM 405 NE2 GLN A 29 -3.500 -10.619 -2.681 1.00 0.00 N ATOM 0 H GLN A 29 0.205 -12.286 -3.035 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.514 -13.507 -5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.986 -10.785 -4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.706 -11.227 -5.746 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.862 -13.153 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.119 -12.750 -3.130 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.734 -10.787 -2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.203 -9.911 -2.470 1.00 0.00 H new ATOM 414 N GLY A 30 1.923 -11.391 -5.611 1.00 0.00 N ATOM 415 CA GLY A 30 2.893 -10.748 -6.482 1.00 0.00 C ATOM 416 C GLY A 30 2.353 -9.438 -7.051 1.00 0.00 C ATOM 417 O GLY A 30 2.565 -9.140 -8.231 1.00 0.00 O ATOM 0 H GLY A 30 2.194 -11.404 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.810 -10.554 -5.926 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.152 -11.421 -7.299 1.00 0.00 H new ATOM 421 N LEU A 31 1.660 -8.648 -6.226 1.00 0.00 N ATOM 422 CA LEU A 31 1.086 -7.349 -6.605 1.00 0.00 C ATOM 423 C LEU A 31 1.453 -6.238 -5.615 1.00 0.00 C ATOM 424 O LEU A 31 0.775 -5.217 -5.532 1.00 0.00 O ATOM 425 CB LEU A 31 -0.430 -7.469 -6.837 1.00 0.00 C ATOM 426 CG LEU A 31 -1.210 -8.221 -5.754 1.00 0.00 C ATOM 427 CD1 LEU A 31 -1.297 -7.502 -4.413 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.602 -8.540 -6.271 1.00 0.00 C ATOM 0 H LEU A 31 1.477 -8.897 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 31 1.534 -7.051 -7.553 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.846 -6.465 -6.928 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.595 -7.970 -7.791 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.648 -9.132 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.867 -8.110 -3.710 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.293 -7.340 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.793 -6.541 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.161 -9.075 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.120 -7.613 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.525 -9.161 -7.164 1.00 0.00 H new ATOM 440 N THR A 32 2.496 -6.440 -4.814 1.00 0.00 N ATOM 441 CA THR A 32 2.935 -5.468 -3.819 1.00 0.00 C ATOM 442 C THR A 32 3.883 -4.456 -4.425 1.00 0.00 C ATOM 443 O THR A 32 4.992 -4.841 -4.820 1.00 0.00 O ATOM 444 CB THR A 32 3.625 -6.213 -2.631 1.00 0.00 C ATOM 445 OG1 THR A 32 4.840 -5.623 -2.205 1.00 0.00 O ATOM 446 CG2 THR A 32 4.027 -7.664 -2.900 1.00 0.00 C ATOM 0 H THR A 32 3.063 -7.288 -4.838 1.00 0.00 H new ATOM 0 HA THR A 32 2.062 -4.928 -3.452 1.00 0.00 H new ATOM 0 HB THR A 32 2.830 -6.148 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.212 -6.141 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.496 -8.083 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.141 -8.247 -3.151 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.731 -7.698 -3.731 1.00 0.00 H new ATOM 454 N THR A 33 3.523 -3.169 -4.407 1.00 0.00 N ATOM 455 CA THR A 33 4.430 -2.166 -4.899 1.00 0.00 C ATOM 456 C THR A 33 4.111 -0.804 -4.267 1.00 0.00 C ATOM 457 O THR A 33 2.954 -0.510 -3.980 1.00 0.00 O ATOM 458 CB THR A 33 4.379 -2.195 -6.452 1.00 0.00 C ATOM 459 OG1 THR A 33 4.539 -0.905 -7.010 1.00 0.00 O ATOM 460 CG2 THR A 33 3.102 -2.848 -7.045 1.00 0.00 C ATOM 0 H THR A 33 2.629 -2.818 -4.063 1.00 0.00 H new ATOM 0 HA THR A 33 5.461 -2.369 -4.608 1.00 0.00 H new ATOM 0 HB THR A 33 5.221 -2.829 -6.729 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.970 -0.979 -7.887 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.153 -2.824 -8.134 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.032 -3.882 -6.708 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.223 -2.297 -6.711 1.00 0.00 H new ATOM 468 N ILE A 34 5.131 0.033 -4.063 1.00 0.00 N ATOM 469 CA ILE A 34 4.994 1.376 -3.494 1.00 0.00 C ATOM 470 C ILE A 34 4.495 2.342 -4.572 1.00 0.00 C ATOM 471 O ILE A 34 3.570 3.128 -4.376 1.00 0.00 O ATOM 472 CB ILE A 34 6.337 1.867 -2.888 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.982 0.868 -1.906 1.00 0.00 C ATOM 474 CG2 ILE A 34 6.165 3.213 -2.163 1.00 0.00 C ATOM 475 CD1 ILE A 34 6.165 0.623 -0.626 1.00 0.00 C ATOM 0 H ILE A 34 6.095 -0.209 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 34 4.265 1.341 -2.684 1.00 0.00 H new ATOM 0 HB ILE A 34 7.003 1.973 -3.744 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.128 -0.083 -2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.970 1.236 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.123 3.529 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.809 3.963 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.441 3.102 -1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.689 -0.091 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.040 1.563 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.186 0.223 -0.890 1.00 0.00 H new ATOM 487 N TYR A 35 5.144 2.272 -5.729 1.00 0.00 N ATOM 488 CA TYR A 35 4.919 3.097 -6.899 1.00 0.00 C ATOM 489 C TYR A 35 3.526 2.918 -7.489 1.00 0.00 C ATOM 490 O TYR A 35 3.020 3.826 -8.150 1.00 0.00 O ATOM 491 CB TYR A 35 5.991 2.744 -7.947 1.00 0.00 C ATOM 492 CG TYR A 35 7.396 2.535 -7.391 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.787 1.258 -6.943 1.00 0.00 C ATOM 494 CD2 TYR A 35 8.302 3.607 -7.283 1.00 0.00 C ATOM 495 CE1 TYR A 35 9.054 1.062 -6.365 1.00 0.00 C ATOM 496 CE2 TYR A 35 9.590 3.410 -6.745 1.00 0.00 C ATOM 497 CZ TYR A 35 9.971 2.131 -6.277 1.00 0.00 C ATOM 498 OH TYR A 35 11.201 1.894 -5.740 1.00 0.00 O ATOM 0 H TYR A 35 5.889 1.591 -5.879 1.00 0.00 H new ATOM 0 HA TYR A 35 4.991 4.143 -6.602 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.684 1.836 -8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.026 3.540 -8.690 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.109 0.423 -7.044 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.007 4.591 -7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.327 0.088 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 35 10.285 4.235 -6.690 1.00 0.00 H new ATOM 0 HH TYR A 35 11.725 2.722 -5.745 1.00 0.00 H new ATOM 508 N GLN A 36 2.898 1.755 -7.291 1.00 0.00 N ATOM 509 CA GLN A 36 1.566 1.525 -7.846 1.00 0.00 C ATOM 510 C GLN A 36 0.470 2.140 -6.984 1.00 0.00 C ATOM 511 O GLN A 36 -0.447 2.759 -7.530 1.00 0.00 O ATOM 512 CB GLN A 36 1.269 0.039 -8.048 1.00 0.00 C ATOM 513 CG GLN A 36 1.983 -0.625 -9.237 1.00 0.00 C ATOM 514 CD GLN A 36 1.758 0.035 -10.594 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.767 0.718 -10.849 1.00 0.00 O ATOM 516 NE2 GLN A 36 2.689 -0.147 -11.509 1.00 0.00 N ATOM 0 H GLN A 36 3.283 0.973 -6.761 1.00 0.00 H new ATOM 0 HA GLN A 36 1.568 2.017 -8.819 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.543 -0.495 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.194 -0.084 -8.178 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.054 -0.639 -9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.657 -1.663 -9.300 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.510 -0.714 -11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.589 0.279 -12.430 1.00 0.00 H new ATOM 525 N ILE A 37 0.551 2.009 -5.655 1.00 0.00 N ATOM 526 CA ILE A 37 -0.469 2.568 -4.771 1.00 0.00 C ATOM 527 C ILE A 37 -0.583 4.085 -4.905 1.00 0.00 C ATOM 528 O ILE A 37 -1.631 4.636 -4.570 1.00 0.00 O ATOM 529 CB ILE A 37 -0.341 2.074 -3.320 1.00 0.00 C ATOM 530 CG1 ILE A 37 1.055 2.329 -2.743 1.00 0.00 C ATOM 531 CG2 ILE A 37 -0.729 0.588 -3.275 1.00 0.00 C ATOM 532 CD1 ILE A 37 1.130 2.146 -1.230 1.00 0.00 C ATOM 0 H ILE A 37 1.308 1.524 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.427 2.175 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.021 2.641 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.765 1.653 -3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.364 3.344 -2.994 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.644 0.221 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.757 0.470 -3.619 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.062 0.018 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.147 2.342 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.444 2.841 -0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.852 1.124 -0.973 1.00 0.00 H new ATOM 544 N GLU A 38 0.425 4.762 -5.458 1.00 0.00 N ATOM 545 CA GLU A 38 0.387 6.204 -5.662 1.00 0.00 C ATOM 546 C GLU A 38 -0.763 6.558 -6.625 1.00 0.00 C ATOM 547 O GLU A 38 -1.250 7.685 -6.582 1.00 0.00 O ATOM 548 CB GLU A 38 1.742 6.691 -6.199 1.00 0.00 C ATOM 549 CG GLU A 38 2.852 6.583 -5.139 1.00 0.00 C ATOM 550 CD GLU A 38 4.279 6.773 -5.671 1.00 0.00 C ATOM 551 OE1 GLU A 38 4.476 7.266 -6.808 1.00 0.00 O ATOM 552 OE2 GLU A 38 5.228 6.418 -4.937 1.00 0.00 O ATOM 0 H GLU A 38 1.289 4.322 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 38 0.203 6.708 -4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.018 6.103 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.652 7.727 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.667 7.327 -4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.785 5.605 -4.663 1.00 0.00 H new ATOM 559 N HIS A 39 -1.172 5.636 -7.514 1.00 0.00 N ATOM 560 CA HIS A 39 -2.270 5.824 -8.464 1.00 0.00 C ATOM 561 C HIS A 39 -3.458 4.864 -8.232 1.00 0.00 C ATOM 562 O HIS A 39 -4.568 5.182 -8.661 1.00 0.00 O ATOM 563 CB HIS A 39 -1.709 5.752 -9.889 1.00 0.00 C ATOM 564 CG HIS A 39 -2.702 6.101 -10.971 1.00 0.00 C ATOM 565 ND1 HIS A 39 -3.075 7.371 -11.358 1.00 0.00 N ATOM 566 CD2 HIS A 39 -3.398 5.213 -11.747 1.00 0.00 C ATOM 567 CE1 HIS A 39 -3.983 7.252 -12.341 1.00 0.00 C ATOM 568 NE2 HIS A 39 -4.181 5.957 -12.635 1.00 0.00 N ATOM 0 H HIS A 39 -0.734 4.718 -7.589 1.00 0.00 H new ATOM 0 HA HIS A 39 -2.700 6.812 -8.302 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.856 6.427 -9.965 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.335 4.744 -10.068 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.351 4.136 -11.685 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.482 8.079 -12.825 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -4.787 5.586 -13.367 1.00 0.00 H new ATOM 576 N TYR A 40 -3.267 3.712 -7.568 1.00 0.00 N ATOM 577 CA TYR A 40 -4.353 2.762 -7.309 1.00 0.00 C ATOM 578 C TYR A 40 -5.334 3.379 -6.300 1.00 0.00 C ATOM 579 O TYR A 40 -4.997 3.550 -5.123 1.00 0.00 O ATOM 580 CB TYR A 40 -3.844 1.402 -6.777 1.00 0.00 C ATOM 581 CG TYR A 40 -3.273 0.367 -7.745 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.195 -0.467 -7.358 1.00 0.00 C ATOM 583 CD2 TYR A 40 -3.965 0.065 -8.936 1.00 0.00 C ATOM 584 CE1 TYR A 40 -1.840 -1.581 -8.142 1.00 0.00 C ATOM 585 CE2 TYR A 40 -3.598 -1.035 -9.733 1.00 0.00 C ATOM 586 CZ TYR A 40 -2.528 -1.867 -9.339 1.00 0.00 C ATOM 587 OH TYR A 40 -2.168 -2.956 -10.069 1.00 0.00 O ATOM 0 H TYR A 40 -2.362 3.418 -7.200 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.850 2.566 -8.259 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.073 1.612 -6.036 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.673 0.930 -6.250 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.643 -0.247 -6.456 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.792 0.689 -9.242 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.032 -2.223 -7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.135 -1.243 -10.647 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.736 -3.019 -10.865 1.00 0.00 H new ATOM 597 N SER A 41 -6.544 3.721 -6.736 1.00 0.00 N ATOM 598 CA SER A 41 -7.572 4.301 -5.881 1.00 0.00 C ATOM 599 C SER A 41 -8.224 3.216 -5.012 1.00 0.00 C ATOM 600 O SER A 41 -7.930 2.023 -5.134 1.00 0.00 O ATOM 601 CB SER A 41 -8.663 4.961 -6.737 1.00 0.00 C ATOM 602 OG SER A 41 -8.132 5.717 -7.806 1.00 0.00 O ATOM 0 H SER A 41 -6.840 3.601 -7.705 1.00 0.00 H new ATOM 0 HA SER A 41 -7.097 5.046 -5.243 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.323 4.190 -7.135 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.272 5.608 -6.106 1.00 0.00 H new ATOM 0 HG SER A 41 -8.865 6.115 -8.321 1.00 0.00 H new ATOM 608 N MET A 42 -9.157 3.629 -4.148 1.00 0.00 N ATOM 609 CA MET A 42 -9.899 2.722 -3.277 1.00 0.00 C ATOM 610 C MET A 42 -10.740 1.738 -4.109 1.00 0.00 C ATOM 611 O MET A 42 -11.072 0.657 -3.627 1.00 0.00 O ATOM 612 CB MET A 42 -10.743 3.518 -2.268 1.00 0.00 C ATOM 613 CG MET A 42 -12.043 4.111 -2.831 1.00 0.00 C ATOM 614 SD MET A 42 -11.897 5.200 -4.274 1.00 0.00 S ATOM 615 CE MET A 42 -11.134 6.654 -3.518 1.00 0.00 C ATOM 0 H MET A 42 -9.418 4.609 -4.035 1.00 0.00 H new ATOM 0 HA MET A 42 -9.195 2.123 -2.700 1.00 0.00 H new ATOM 0 HB2 MET A 42 -10.992 2.865 -1.431 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.135 4.330 -1.869 1.00 0.00 H new ATOM 0 HG2 MET A 42 -12.705 3.286 -3.095 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.533 4.670 -2.034 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.235 6.923 -4.072 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.837 7.487 -3.541 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.870 6.430 -2.484 1.00 0.00 H new ATOM 625 N ASP A 43 -11.056 2.113 -5.354 1.00 0.00 N ATOM 626 CA ASP A 43 -11.824 1.342 -6.322 1.00 0.00 C ATOM 627 C ASP A 43 -11.065 0.075 -6.714 1.00 0.00 C ATOM 628 O ASP A 43 -11.620 -1.023 -6.676 1.00 0.00 O ATOM 629 CB ASP A 43 -12.053 2.216 -7.563 1.00 0.00 C ATOM 630 CG ASP A 43 -12.781 1.440 -8.655 1.00 0.00 C ATOM 631 OD1 ASP A 43 -12.258 1.296 -9.782 1.00 0.00 O ATOM 632 OD2 ASP A 43 -13.936 1.025 -8.412 1.00 0.00 O ATOM 0 H ASP A 43 -10.763 3.015 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.778 1.048 -5.885 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.634 3.096 -7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.095 2.572 -7.943 1.00 0.00 H new ATOM 637 N ASP A 44 -9.789 0.234 -7.084 1.00 0.00 N ATOM 638 CA ASP A 44 -8.924 -0.878 -7.472 1.00 0.00 C ATOM 639 C ASP A 44 -8.707 -1.757 -6.244 1.00 0.00 C ATOM 640 O ASP A 44 -8.807 -2.980 -6.340 1.00 0.00 O ATOM 641 CB ASP A 44 -7.568 -0.389 -8.004 1.00 0.00 C ATOM 642 CG ASP A 44 -7.544 -0.157 -9.513 1.00 0.00 C ATOM 643 OD1 ASP A 44 -7.421 1.015 -9.931 1.00 0.00 O ATOM 644 OD2 ASP A 44 -7.617 -1.139 -10.293 1.00 0.00 O ATOM 0 H ASP A 44 -9.329 1.143 -7.122 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.404 -1.436 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.304 0.540 -7.499 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.802 -1.121 -7.746 1.00 0.00 H new ATOM 649 N LEU A 45 -8.460 -1.135 -5.079 1.00 0.00 N ATOM 650 CA LEU A 45 -8.249 -1.853 -3.825 1.00 0.00 C ATOM 651 C LEU A 45 -9.430 -2.781 -3.570 1.00 0.00 C ATOM 652 O LEU A 45 -9.240 -3.975 -3.342 1.00 0.00 O ATOM 653 CB LEU A 45 -8.130 -0.876 -2.635 1.00 0.00 C ATOM 654 CG LEU A 45 -6.741 -0.269 -2.417 1.00 0.00 C ATOM 655 CD1 LEU A 45 -6.815 0.865 -1.388 1.00 0.00 C ATOM 656 CD2 LEU A 45 -5.804 -1.320 -1.833 1.00 0.00 C ATOM 0 H LEU A 45 -8.402 -0.121 -4.987 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.322 -2.420 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.843 -0.065 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.425 -1.400 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.382 0.096 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.821 1.289 -1.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.491 1.640 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.186 0.473 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.817 -0.883 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.198 -1.669 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.725 -2.161 -2.522 1.00 0.00 H new ATOM 668 N ALA A 46 -10.647 -2.239 -3.630 1.00 0.00 N ATOM 669 CA ALA A 46 -11.868 -2.994 -3.402 1.00 0.00 C ATOM 670 C ALA A 46 -11.982 -4.152 -4.386 1.00 0.00 C ATOM 671 O ALA A 46 -12.414 -5.243 -4.010 1.00 0.00 O ATOM 672 CB ALA A 46 -13.061 -2.058 -3.547 1.00 0.00 C ATOM 0 H ALA A 46 -10.809 -1.254 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.848 -3.413 -2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.983 -2.615 -3.378 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.983 -1.254 -2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.072 -1.635 -4.552 1.00 0.00 H new ATOM 678 N SER A 47 -11.626 -3.922 -5.650 1.00 0.00 N ATOM 679 CA SER A 47 -11.680 -4.946 -6.675 1.00 0.00 C ATOM 680 C SER A 47 -10.718 -6.097 -6.334 1.00 0.00 C ATOM 681 O SER A 47 -11.029 -7.254 -6.617 1.00 0.00 O ATOM 682 CB SER A 47 -11.378 -4.290 -8.028 1.00 0.00 C ATOM 683 OG SER A 47 -12.049 -4.955 -9.080 1.00 0.00 O ATOM 0 H SER A 47 -11.293 -3.018 -5.985 1.00 0.00 H new ATOM 0 HA SER A 47 -12.673 -5.392 -6.729 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.682 -3.243 -8.004 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.304 -4.306 -8.211 1.00 0.00 H new ATOM 0 HG SER A 47 -11.840 -4.515 -9.931 1.00 0.00 H new ATOM 689 N LEU A 48 -9.583 -5.825 -5.681 1.00 0.00 N ATOM 690 CA LEU A 48 -8.586 -6.822 -5.283 1.00 0.00 C ATOM 691 C LEU A 48 -8.976 -7.516 -3.966 1.00 0.00 C ATOM 692 O LEU A 48 -8.110 -7.814 -3.140 1.00 0.00 O ATOM 693 CB LEU A 48 -7.183 -6.189 -5.200 1.00 0.00 C ATOM 694 CG LEU A 48 -6.593 -5.720 -6.541 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.219 -5.110 -6.255 1.00 0.00 C ATOM 696 CD2 LEU A 48 -6.411 -6.849 -7.559 1.00 0.00 C ATOM 0 H LEU A 48 -9.326 -4.877 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.557 -7.594 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.227 -5.336 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.501 -6.914 -4.756 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.294 -5.008 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.772 -4.766 -7.188 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.330 -4.266 -5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.575 -5.862 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.991 -6.444 -8.480 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.735 -7.601 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.377 -7.307 -7.771 1.00 0.00 H new ATOM 708 N LYS A 49 -10.274 -7.745 -3.732 1.00 0.00 N ATOM 709 CA LYS A 49 -10.857 -8.409 -2.566 1.00 0.00 C ATOM 710 C LYS A 49 -10.668 -7.719 -1.210 1.00 0.00 C ATOM 711 O LYS A 49 -11.091 -8.254 -0.182 1.00 0.00 O ATOM 712 CB LYS A 49 -10.316 -9.852 -2.515 1.00 0.00 C ATOM 713 CG LYS A 49 -11.426 -10.847 -2.214 1.00 0.00 C ATOM 714 CD LYS A 49 -12.130 -11.274 -3.504 1.00 0.00 C ATOM 715 CE LYS A 49 -13.388 -12.097 -3.207 1.00 0.00 C ATOM 716 NZ LYS A 49 -14.360 -11.335 -2.397 1.00 0.00 N ATOM 0 H LYS A 49 -10.989 -7.451 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.936 -8.370 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.849 -10.102 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.542 -9.926 -1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.012 -11.722 -1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.147 -10.400 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.399 -10.391 -4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.446 -11.861 -4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.854 -12.401 -4.144 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.110 -13.009 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.314 -11.458 -2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.344 -11.683 -1.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.107 -10.326 -2.410 1.00 0.00 H new ATOM 730 N ILE A 50 -10.040 -6.553 -1.181 1.00 0.00 N ATOM 731 CA ILE A 50 -9.767 -5.795 0.034 1.00 0.00 C ATOM 732 C ILE A 50 -11.085 -5.278 0.638 1.00 0.00 C ATOM 733 O ILE A 50 -11.838 -4.595 -0.061 1.00 0.00 O ATOM 734 CB ILE A 50 -8.773 -4.666 -0.306 1.00 0.00 C ATOM 735 CG1 ILE A 50 -7.504 -5.183 -1.031 1.00 0.00 C ATOM 736 CG2 ILE A 50 -8.317 -3.927 0.945 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.721 -6.282 -0.291 1.00 0.00 C ATOM 0 H ILE A 50 -9.696 -6.094 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.308 -6.426 0.795 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.320 -3.996 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.796 -5.565 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.836 -4.339 -1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -7.617 -3.139 0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.181 -3.487 1.443 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.826 -4.626 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.853 -6.572 -0.883 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.390 -5.904 0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.364 -7.149 -0.141 1.00 0.00 H new ATOM 749 N PRO A 51 -11.418 -5.599 1.904 1.00 0.00 N ATOM 750 CA PRO A 51 -12.634 -5.115 2.546 1.00 0.00 C ATOM 751 C PRO A 51 -12.396 -3.635 2.854 1.00 0.00 C ATOM 752 O PRO A 51 -11.292 -3.274 3.279 1.00 0.00 O ATOM 753 CB PRO A 51 -12.785 -5.962 3.809 1.00 0.00 C ATOM 754 CG PRO A 51 -11.347 -6.296 4.190 1.00 0.00 C ATOM 755 CD PRO A 51 -10.639 -6.395 2.839 1.00 0.00 C ATOM 0 HA PRO A 51 -13.541 -5.197 1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.293 -5.413 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.369 -6.863 3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.907 -5.522 4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.285 -7.231 4.746 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.617 -6.022 2.908 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.578 -7.432 2.508 1.00 0.00 H new ATOM 763 N GLU A 52 -13.395 -2.763 2.698 1.00 0.00 N ATOM 764 CA GLU A 52 -13.198 -1.338 2.954 1.00 0.00 C ATOM 765 C GLU A 52 -12.710 -1.044 4.368 1.00 0.00 C ATOM 766 O GLU A 52 -11.895 -0.141 4.549 1.00 0.00 O ATOM 767 CB GLU A 52 -14.383 -0.478 2.510 1.00 0.00 C ATOM 768 CG GLU A 52 -15.660 -0.592 3.344 1.00 0.00 C ATOM 769 CD GLU A 52 -16.820 0.065 2.589 1.00 0.00 C ATOM 770 OE1 GLU A 52 -17.812 -0.644 2.306 1.00 0.00 O ATOM 771 OE2 GLU A 52 -16.722 1.254 2.213 1.00 0.00 O ATOM 0 H GLU A 52 -14.337 -3.016 2.399 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.375 -1.030 2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -14.067 0.565 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.625 -0.737 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.887 -1.640 3.541 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.521 -0.109 4.311 1.00 0.00 H new ATOM 778 N GLN A 53 -13.084 -1.889 5.332 1.00 0.00 N ATOM 779 CA GLN A 53 -12.696 -1.777 6.732 1.00 0.00 C ATOM 780 C GLN A 53 -11.173 -1.726 6.899 1.00 0.00 C ATOM 781 O GLN A 53 -10.687 -1.128 7.860 1.00 0.00 O ATOM 782 CB GLN A 53 -13.233 -2.979 7.512 1.00 0.00 C ATOM 783 CG GLN A 53 -14.749 -3.162 7.423 1.00 0.00 C ATOM 784 CD GLN A 53 -15.159 -4.369 8.258 1.00 0.00 C ATOM 785 OE1 GLN A 53 -14.887 -5.502 7.864 1.00 0.00 O ATOM 786 NE2 GLN A 53 -15.768 -4.167 9.414 1.00 0.00 N ATOM 0 H GLN A 53 -13.684 -2.694 5.149 1.00 0.00 H new ATOM 0 HA GLN A 53 -13.118 -0.848 7.115 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.748 -3.883 7.143 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.953 -2.872 8.560 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.257 -2.267 7.782 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.050 -3.304 6.385 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.983 -3.217 9.718 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.023 -4.961 10.002 1.00 0.00 H new ATOM 795 N PHE A 54 -10.428 -2.372 5.997 1.00 0.00 N ATOM 796 CA PHE A 54 -8.973 -2.415 5.986 1.00 0.00 C ATOM 797 C PHE A 54 -8.441 -1.600 4.806 1.00 0.00 C ATOM 798 O PHE A 54 -7.374 -1.011 4.939 1.00 0.00 O ATOM 799 CB PHE A 54 -8.467 -3.855 5.971 1.00 0.00 C ATOM 800 CG PHE A 54 -7.045 -3.951 5.478 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.828 -4.108 4.100 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.960 -3.751 6.348 1.00 0.00 C ATOM 803 CE1 PHE A 54 -5.520 -4.097 3.586 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.654 -3.725 5.835 1.00 0.00 C ATOM 805 CZ PHE A 54 -4.432 -3.907 4.458 1.00 0.00 C ATOM 0 H PHE A 54 -10.843 -2.897 5.228 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.594 -1.964 6.903 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.531 -4.272 6.976 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -9.113 -4.459 5.334 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.668 -4.238 3.433 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -6.130 -3.618 7.406 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.351 -4.234 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.817 -3.565 6.499 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.424 -3.901 4.069 1.00 0.00 H new ATOM 815 N ARG A 55 -9.148 -1.504 3.668 1.00 0.00 N ATOM 816 CA ARG A 55 -8.692 -0.701 2.526 1.00 0.00 C ATOM 817 C ARG A 55 -8.428 0.723 3.019 1.00 0.00 C ATOM 818 O ARG A 55 -7.473 1.359 2.586 1.00 0.00 O ATOM 819 CB ARG A 55 -9.676 -0.791 1.335 1.00 0.00 C ATOM 820 CG ARG A 55 -10.612 0.423 1.122 1.00 0.00 C ATOM 821 CD ARG A 55 -11.692 0.200 0.045 1.00 0.00 C ATOM 822 NE ARG A 55 -12.673 1.307 0.039 1.00 0.00 N ATOM 823 CZ ARG A 55 -13.790 1.384 -0.703 1.00 0.00 C ATOM 824 NH1 ARG A 55 -14.272 0.305 -1.305 1.00 0.00 N ATOM 825 NH2 ARG A 55 -14.426 2.543 -0.852 1.00 0.00 N ATOM 0 H ARG A 55 -10.040 -1.975 3.516 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.757 -1.095 2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.097 -0.940 0.424 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.294 -1.679 1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.100 0.663 2.067 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.010 1.289 0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.222 0.121 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.205 -0.744 0.230 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.482 2.092 0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.794 -0.591 -1.206 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.121 0.371 -1.867 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.066 3.384 -0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.273 2.591 -1.418 1.00 0.00 H new ATOM 839 N HIS A 56 -9.236 1.189 3.977 1.00 0.00 N ATOM 840 CA HIS A 56 -9.107 2.501 4.573 1.00 0.00 C ATOM 841 C HIS A 56 -7.777 2.632 5.324 1.00 0.00 C ATOM 842 O HIS A 56 -7.283 3.742 5.452 1.00 0.00 O ATOM 843 CB HIS A 56 -10.300 2.731 5.517 1.00 0.00 C ATOM 844 CG HIS A 56 -10.769 4.155 5.619 1.00 0.00 C ATOM 845 ND1 HIS A 56 -12.055 4.572 5.371 1.00 0.00 N ATOM 846 CD2 HIS A 56 -10.044 5.249 6.004 1.00 0.00 C ATOM 847 CE1 HIS A 56 -12.107 5.892 5.579 1.00 0.00 C ATOM 848 NE2 HIS A 56 -10.897 6.353 5.948 1.00 0.00 N ATOM 0 H HIS A 56 -10.010 0.646 4.360 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.110 3.261 3.791 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.133 2.114 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.027 2.383 6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.005 5.257 6.297 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.992 6.501 5.467 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.651 7.322 6.148 1.00 0.00 H new ATOM 856 N ALA A 57 -7.194 1.555 5.857 1.00 0.00 N ATOM 857 CA ALA A 57 -5.925 1.586 6.572 1.00 0.00 C ATOM 858 C ALA A 57 -4.794 1.850 5.589 1.00 0.00 C ATOM 859 O ALA A 57 -4.052 2.816 5.755 1.00 0.00 O ATOM 860 CB ALA A 57 -5.683 0.280 7.339 1.00 0.00 C ATOM 0 H ALA A 57 -7.602 0.622 5.800 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.960 2.392 7.306 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.728 0.336 7.861 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.484 0.129 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.665 -0.555 6.639 1.00 0.00 H new ATOM 866 N ILE A 58 -4.666 1.004 4.563 1.00 0.00 N ATOM 867 CA ILE A 58 -3.620 1.153 3.564 1.00 0.00 C ATOM 868 C ILE A 58 -3.744 2.500 2.852 1.00 0.00 C ATOM 869 O ILE A 58 -2.773 3.257 2.807 1.00 0.00 O ATOM 870 CB ILE A 58 -3.602 -0.055 2.584 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.738 0.286 1.349 1.00 0.00 C ATOM 872 CG2 ILE A 58 -4.985 -0.580 2.152 1.00 0.00 C ATOM 873 CD1 ILE A 58 -2.475 -0.860 0.371 1.00 0.00 C ATOM 0 H ILE A 58 -5.281 0.206 4.408 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.652 1.150 4.065 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.163 -0.878 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.223 1.096 0.805 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.778 0.666 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.858 -1.421 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.541 -0.906 3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.535 0.215 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.859 -0.501 -0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.955 -1.667 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.423 -1.230 -0.019 1.00 0.00 H new ATOM 885 N TRP A 59 -4.929 2.782 2.304 1.00 0.00 N ATOM 886 CA TRP A 59 -5.187 3.998 1.553 1.00 0.00 C ATOM 887 C TRP A 59 -4.951 5.240 2.403 1.00 0.00 C ATOM 888 O TRP A 59 -4.178 6.100 1.993 1.00 0.00 O ATOM 889 CB TRP A 59 -6.561 3.944 0.872 1.00 0.00 C ATOM 890 CG TRP A 59 -6.623 4.620 -0.464 1.00 0.00 C ATOM 891 CD1 TRP A 59 -6.049 4.167 -1.602 1.00 0.00 C ATOM 892 CD2 TRP A 59 -7.245 5.885 -0.824 1.00 0.00 C ATOM 893 NE1 TRP A 59 -6.303 5.036 -2.642 1.00 0.00 N ATOM 894 CE2 TRP A 59 -7.088 6.089 -2.228 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.899 6.896 -0.096 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.631 7.199 -2.888 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.390 8.046 -0.740 1.00 0.00 C ATOM 898 CH2 TRP A 59 -8.288 8.188 -2.135 1.00 0.00 C ATOM 0 H TRP A 59 -5.737 2.164 2.374 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.463 4.072 0.741 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.850 2.900 0.750 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.297 4.404 1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.475 3.256 -1.684 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.955 4.915 -3.593 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.026 6.788 0.971 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -7.546 7.294 -3.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.851 8.829 -0.156 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.712 9.052 -2.625 1.00 0.00 H new ATOM 909 N LYS A 60 -5.562 5.352 3.590 1.00 0.00 N ATOM 910 CA LYS A 60 -5.347 6.523 4.441 1.00 0.00 C ATOM 911 C LYS A 60 -3.871 6.654 4.768 1.00 0.00 C ATOM 912 O LYS A 60 -3.384 7.771 4.777 1.00 0.00 O ATOM 913 CB LYS A 60 -6.183 6.423 5.724 1.00 0.00 C ATOM 914 CG LYS A 60 -6.107 7.586 6.730 1.00 0.00 C ATOM 915 CD LYS A 60 -5.022 7.377 7.803 1.00 0.00 C ATOM 916 CE LYS A 60 -5.176 8.325 8.998 1.00 0.00 C ATOM 917 NZ LYS A 60 -6.356 8.027 9.843 1.00 0.00 N ATOM 0 H LYS A 60 -6.199 4.656 3.976 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.669 7.415 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.226 6.301 5.434 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.888 5.512 6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.906 8.513 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.075 7.703 7.217 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.060 6.346 8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.040 7.524 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.277 8.271 9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.251 9.349 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.325 8.614 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.225 8.236 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.347 7.022 10.110 1.00 0.00 H new ATOM 931 N GLY A 61 -3.148 5.558 5.006 1.00 0.00 N ATOM 932 CA GLY A 61 -1.737 5.636 5.343 1.00 0.00 C ATOM 933 C GLY A 61 -0.924 6.327 4.251 1.00 0.00 C ATOM 934 O GLY A 61 -0.150 7.249 4.534 1.00 0.00 O ATOM 0 H GLY A 61 -3.522 4.610 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.618 6.178 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.347 4.631 5.504 1.00 0.00 H new ATOM 938 N ILE A 62 -1.086 5.896 3.000 1.00 0.00 N ATOM 939 CA ILE A 62 -0.333 6.479 1.895 1.00 0.00 C ATOM 940 C ILE A 62 -0.831 7.851 1.531 1.00 0.00 C ATOM 941 O ILE A 62 -0.009 8.738 1.326 1.00 0.00 O ATOM 942 CB ILE A 62 -0.285 5.517 0.716 1.00 0.00 C ATOM 943 CG1 ILE A 62 0.740 5.926 -0.366 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.628 5.082 0.119 1.00 0.00 C ATOM 945 CD1 ILE A 62 0.232 6.818 -1.510 1.00 0.00 C ATOM 0 H ILE A 62 -1.728 5.151 2.730 1.00 0.00 H new ATOM 0 HA ILE A 62 0.696 6.630 2.222 1.00 0.00 H new ATOM 0 HB ILE A 62 0.080 4.604 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.563 6.443 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.151 5.016 -0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.453 4.399 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.220 4.579 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.168 5.958 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.051 7.030 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.567 6.304 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.149 7.754 -1.100 1.00 0.00 H new ATOM 957 N LEU A 63 -2.147 8.043 1.485 1.00 0.00 N ATOM 958 CA LEU A 63 -2.694 9.354 1.158 1.00 0.00 C ATOM 959 C LEU A 63 -2.234 10.346 2.219 1.00 0.00 C ATOM 960 O LEU A 63 -2.019 11.518 1.922 1.00 0.00 O ATOM 961 CB LEU A 63 -4.231 9.337 1.070 1.00 0.00 C ATOM 962 CG LEU A 63 -4.792 9.069 -0.338 1.00 0.00 C ATOM 963 CD1 LEU A 63 -4.459 10.197 -1.314 1.00 0.00 C ATOM 964 CD2 LEU A 63 -4.319 7.753 -0.955 1.00 0.00 C ATOM 0 H LEU A 63 -2.843 7.320 1.667 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.328 9.649 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.612 8.574 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.612 10.296 1.422 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.869 9.007 -0.184 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.875 9.964 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.887 11.131 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.377 10.301 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.758 7.637 -1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.232 7.760 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.629 6.922 -0.322 1.00 0.00 H new ATOM 976 N ASP A 64 -2.099 9.881 3.461 1.00 0.00 N ATOM 977 CA ASP A 64 -1.665 10.746 4.560 1.00 0.00 C ATOM 978 C ASP A 64 -0.180 11.032 4.417 1.00 0.00 C ATOM 979 O ASP A 64 0.282 12.107 4.793 1.00 0.00 O ATOM 980 CB ASP A 64 -1.905 10.149 5.956 1.00 0.00 C ATOM 981 CG ASP A 64 -3.267 10.475 6.577 1.00 0.00 C ATOM 982 OD1 ASP A 64 -3.335 10.433 7.830 1.00 0.00 O ATOM 983 OD2 ASP A 64 -4.244 10.816 5.868 1.00 0.00 O ATOM 0 H ASP A 64 -2.283 8.915 3.731 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.267 11.652 4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.802 9.066 5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.123 10.506 6.626 1.00 0.00 H new ATOM 988 N HIS A 65 0.583 10.050 3.933 1.00 0.00 N ATOM 989 CA HIS A 65 2.012 10.177 3.751 1.00 0.00 C ATOM 990 C HIS A 65 2.297 11.187 2.655 1.00 0.00 C ATOM 991 O HIS A 65 2.983 12.176 2.911 1.00 0.00 O ATOM 992 CB HIS A 65 2.672 8.828 3.436 1.00 0.00 C ATOM 993 CG HIS A 65 4.134 8.996 3.108 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.042 9.729 3.842 1.00 0.00 N ATOM 995 CD2 HIS A 65 4.770 8.548 1.980 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.196 9.745 3.160 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.088 9.020 2.034 1.00 0.00 N ATOM 0 H HIS A 65 0.214 9.140 3.657 1.00 0.00 H new ATOM 0 HA HIS A 65 2.444 10.529 4.688 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.563 8.159 4.290 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.160 8.358 2.596 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.337 7.944 1.196 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.088 10.268 3.472 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.824 8.847 1.350 1.00 0.00 H new ATOM 1005 N ARG A 66 1.753 10.947 1.460 1.00 0.00 N ATOM 1006 CA ARG A 66 1.948 11.819 0.318 1.00 0.00 C ATOM 1007 C ARG A 66 1.371 13.190 0.599 1.00 0.00 C ATOM 1008 O ARG A 66 1.902 14.152 0.075 1.00 0.00 O ATOM 1009 CB ARG A 66 1.420 11.179 -0.981 1.00 0.00 C ATOM 1010 CG ARG A 66 -0.108 11.003 -1.083 1.00 0.00 C ATOM 1011 CD ARG A 66 -0.882 12.207 -1.635 1.00 0.00 C ATOM 1012 NE ARG A 66 -0.474 12.515 -3.013 1.00 0.00 N ATOM 1013 CZ ARG A 66 0.054 13.661 -3.454 1.00 0.00 C ATOM 1014 NH1 ARG A 66 -0.037 14.777 -2.741 1.00 0.00 N ATOM 1015 NH2 ARG A 66 0.679 13.646 -4.620 1.00 0.00 N ATOM 0 H ARG A 66 1.164 10.137 1.265 1.00 0.00 H new ATOM 0 HA ARG A 66 3.017 11.957 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.751 11.788 -1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.886 10.200 -1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.314 10.141 -1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.495 10.769 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.952 11.999 -1.608 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.710 13.076 -0.999 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.608 11.777 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.516 14.769 -1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.372 15.642 -3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.746 12.778 -5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.094 14.502 -4.987 1.00 0.00 H new ATOM 1029 N GLN A 67 0.333 13.318 1.430 1.00 0.00 N ATOM 1030 CA GLN A 67 -0.203 14.643 1.701 1.00 0.00 C ATOM 1031 C GLN A 67 0.741 15.437 2.617 1.00 0.00 C ATOM 1032 O GLN A 67 0.962 16.631 2.398 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.609 14.498 2.298 1.00 0.00 C ATOM 1034 CG GLN A 67 -2.174 15.844 2.739 1.00 0.00 C ATOM 1035 CD GLN A 67 -3.661 15.760 3.056 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -4.049 15.166 4.064 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -4.503 16.366 2.237 1.00 0.00 N ATOM 0 H GLN A 67 -0.135 12.548 1.908 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.280 15.210 0.773 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.273 14.048 1.560 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.574 13.820 3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.634 16.193 3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.012 16.581 1.953 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.152 16.850 1.410 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.504 16.350 2.432 1.00 0.00 H new ATOM 1046 N LEU A 68 1.305 14.789 3.640 1.00 0.00 N ATOM 1047 CA LEU A 68 2.196 15.417 4.617 1.00 0.00 C ATOM 1048 C LEU A 68 3.686 15.392 4.266 1.00 0.00 C ATOM 1049 O LEU A 68 4.471 15.982 5.015 1.00 0.00 O ATOM 1050 CB LEU A 68 1.953 14.746 5.978 1.00 0.00 C ATOM 1051 CG LEU A 68 0.695 15.261 6.701 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.343 14.323 7.856 1.00 0.00 C ATOM 1053 CD2 LEU A 68 0.910 16.659 7.291 1.00 0.00 C ATOM 0 H LEU A 68 1.152 13.796 3.815 1.00 0.00 H new ATOM 0 HA LEU A 68 1.948 16.478 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.864 13.669 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.822 14.910 6.615 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.106 15.300 5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.548 14.691 8.365 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.152 13.323 7.467 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.174 14.285 8.560 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.001 16.986 7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.729 16.629 8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.155 17.358 6.491 1.00 0.00 H new ATOM 1065 N HIS A 69 4.090 14.748 3.170 1.00 0.00 N ATOM 1066 CA HIS A 69 5.481 14.634 2.726 1.00 0.00 C ATOM 1067 C HIS A 69 5.612 14.873 1.211 1.00 0.00 C ATOM 1068 O HIS A 69 6.603 14.446 0.620 1.00 0.00 O ATOM 1069 CB HIS A 69 6.005 13.251 3.160 1.00 0.00 C ATOM 1070 CG HIS A 69 7.506 13.118 3.260 1.00 0.00 C ATOM 1071 ND1 HIS A 69 8.346 12.610 2.295 1.00 0.00 N ATOM 1072 CD2 HIS A 69 8.272 13.413 4.358 1.00 0.00 C ATOM 1073 CE1 HIS A 69 9.593 12.622 2.791 1.00 0.00 C ATOM 1074 NE2 HIS A 69 9.604 13.096 4.052 1.00 0.00 N ATOM 0 H HIS A 69 3.436 14.275 2.546 1.00 0.00 H new ATOM 0 HA HIS A 69 6.092 15.408 3.191 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.572 13.008 4.130 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.640 12.507 2.452 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.914 13.818 5.293 1.00 0.00 H new ATOM 0 HE1 HIS A 69 10.470 12.296 2.252 1.00 0.00 H new ATOM 0 HE2 HIS A 69 10.416 13.203 4.660 1.00 0.00 H new ATOM 1082 N ASP A 70 4.617 15.525 0.596 1.00 0.00 N ATOM 1083 CA ASP A 70 4.535 15.851 -0.831 1.00 0.00 C ATOM 1084 C ASP A 70 5.816 16.538 -1.269 1.00 0.00 C ATOM 1085 O ASP A 70 6.606 15.969 -2.054 1.00 0.00 O ATOM 1086 CB ASP A 70 3.310 16.753 -1.098 1.00 0.00 C ATOM 1087 CG ASP A 70 2.867 16.791 -2.562 1.00 0.00 C ATOM 1088 OD1 ASP A 70 1.659 17.021 -2.821 1.00 0.00 O ATOM 1089 OD2 ASP A 70 3.704 16.644 -3.480 1.00 0.00 O ATOM 0 H ASP A 70 3.802 15.857 1.111 1.00 0.00 H new ATOM 0 HA ASP A 70 4.415 14.934 -1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.477 16.406 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.542 17.767 -0.774 1.00 0.00 H new TER 1094 ASP A 70