USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=22 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 Set 1.1: A 56 HIS : no HE2:sc= 0.982 K(o=2.2,f=-5.3!) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 179:sc= 1.26 (180deg=0) USER MOD Set 2.1: A 36 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.35) USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 9 SER OG : rot 180:sc= 1.1 USER MOD Set 3.2: A 32 THR OG1 : rot -77:sc= 1.01 USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.0429 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0.00625 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.128 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.123 USER MOD Single : A 22 CYS SG : rot -157:sc= 0.237 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -18:sc= 0.316 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 33 THR OG1 : rot 140:sc= -0.0915 USER MOD Single : A 35 TYR OH : rot -171:sc= -0.249 USER MOD Single : A 39 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 171:sc= 0 (180deg=-0.165) USER MOD Single : A 47 SER OG : rot 75:sc= 0.144 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.322 X(o=0.32,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.705 -15.430 11.283 1.00 0.00 N ATOM 2 CA GLY A 1 14.346 -14.358 10.521 1.00 0.00 C ATOM 3 C GLY A 1 13.292 -13.531 9.810 1.00 0.00 C ATOM 4 O GLY A 1 12.307 -14.099 9.334 1.00 0.00 O ATOM 0 H1 GLY A 1 14.331 -16.260 11.309 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.522 -15.104 12.253 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.806 -15.689 10.829 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.930 -13.724 11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.040 -14.781 9.795 1.00 0.00 H new ATOM 8 N PRO A 2 13.466 -12.205 9.728 1.00 0.00 N ATOM 9 CA PRO A 2 12.519 -11.318 9.061 1.00 0.00 C ATOM 10 C PRO A 2 12.404 -11.610 7.555 1.00 0.00 C ATOM 11 O PRO A 2 13.092 -12.479 7.009 1.00 0.00 O ATOM 12 CB PRO A 2 13.020 -9.902 9.362 1.00 0.00 C ATOM 13 CG PRO A 2 14.492 -10.065 9.699 1.00 0.00 C ATOM 14 CD PRO A 2 14.593 -11.468 10.275 1.00 0.00 C ATOM 0 HA PRO A 2 11.503 -11.461 9.428 1.00 0.00 H new ATOM 0 HB2 PRO A 2 12.883 -9.245 8.503 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.472 -9.459 10.194 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.117 -9.953 8.813 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.821 -9.315 10.419 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.537 -11.937 9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.554 -11.447 11.364 1.00 0.00 H new ATOM 22 N LEU A 3 11.494 -10.906 6.880 1.00 0.00 N ATOM 23 CA LEU A 3 11.220 -11.015 5.444 1.00 0.00 C ATOM 24 C LEU A 3 11.729 -9.751 4.742 1.00 0.00 C ATOM 25 O LEU A 3 12.160 -8.816 5.425 1.00 0.00 O ATOM 26 CB LEU A 3 9.703 -11.162 5.203 1.00 0.00 C ATOM 27 CG LEU A 3 8.981 -12.268 5.998 1.00 0.00 C ATOM 28 CD1 LEU A 3 7.500 -12.287 5.615 1.00 0.00 C ATOM 29 CD2 LEU A 3 9.579 -13.657 5.764 1.00 0.00 C ATOM 0 H LEU A 3 10.901 -10.214 7.338 1.00 0.00 H new ATOM 0 HA LEU A 3 11.727 -11.893 5.045 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.227 -10.209 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.543 -11.347 4.141 1.00 0.00 H new ATOM 0 HG LEU A 3 9.106 -12.035 7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.989 -13.069 6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.052 -11.321 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.403 -12.485 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.029 -14.393 6.350 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.509 -13.910 4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.625 -13.659 6.069 1.00 0.00 H new ATOM 41 N GLY A 4 11.668 -9.681 3.408 1.00 0.00 N ATOM 42 CA GLY A 4 12.111 -8.488 2.682 1.00 0.00 C ATOM 43 C GLY A 4 12.840 -8.758 1.374 1.00 0.00 C ATOM 44 O GLY A 4 13.924 -8.206 1.182 1.00 0.00 O ATOM 0 H GLY A 4 11.318 -10.432 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.241 -7.866 2.472 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.767 -7.910 3.332 1.00 0.00 H new ATOM 48 N SER A 5 12.290 -9.593 0.483 1.00 0.00 N ATOM 49 CA SER A 5 12.924 -9.891 -0.803 1.00 0.00 C ATOM 50 C SER A 5 13.178 -8.586 -1.571 1.00 0.00 C ATOM 51 O SER A 5 14.327 -8.238 -1.843 1.00 0.00 O ATOM 52 CB SER A 5 12.073 -10.892 -1.603 1.00 0.00 C ATOM 53 OG SER A 5 12.898 -11.769 -2.340 1.00 0.00 O ATOM 0 H SER A 5 11.403 -10.075 0.632 1.00 0.00 H new ATOM 0 HA SER A 5 13.891 -10.365 -0.636 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.440 -11.464 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.409 -10.354 -2.280 1.00 0.00 H new ATOM 0 HG SER A 5 12.340 -12.400 -2.841 1.00 0.00 H new ATOM 59 N THR A 6 12.115 -7.859 -1.904 1.00 0.00 N ATOM 60 CA THR A 6 12.161 -6.594 -2.618 1.00 0.00 C ATOM 61 C THR A 6 12.109 -5.483 -1.564 1.00 0.00 C ATOM 62 O THR A 6 11.326 -5.595 -0.611 1.00 0.00 O ATOM 63 CB THR A 6 10.936 -6.535 -3.548 1.00 0.00 C ATOM 64 OG1 THR A 6 10.737 -7.766 -4.233 1.00 0.00 O ATOM 65 CG2 THR A 6 11.024 -5.410 -4.577 1.00 0.00 C ATOM 0 H THR A 6 11.164 -8.149 -1.674 1.00 0.00 H new ATOM 0 HA THR A 6 13.063 -6.482 -3.220 1.00 0.00 H new ATOM 0 HB THR A 6 10.088 -6.337 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.950 -7.694 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.132 -5.419 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.096 -4.452 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.907 -5.555 -5.200 1.00 0.00 H new ATOM 73 N ASP A 7 12.948 -4.448 -1.680 1.00 0.00 N ATOM 74 CA ASP A 7 12.946 -3.335 -0.728 1.00 0.00 C ATOM 75 C ASP A 7 11.753 -2.432 -1.035 1.00 0.00 C ATOM 76 O ASP A 7 10.893 -2.219 -0.178 1.00 0.00 O ATOM 77 CB ASP A 7 14.232 -2.504 -0.755 1.00 0.00 C ATOM 78 CG ASP A 7 14.065 -1.305 0.182 1.00 0.00 C ATOM 79 OD1 ASP A 7 14.011 -0.149 -0.293 1.00 0.00 O ATOM 80 OD2 ASP A 7 13.957 -1.523 1.407 1.00 0.00 O ATOM 0 H ASP A 7 13.638 -4.359 -2.426 1.00 0.00 H new ATOM 0 HA ASP A 7 12.877 -3.765 0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 7 15.081 -3.112 -0.442 1.00 0.00 H new ATOM 0 HB3 ASP A 7 14.440 -2.164 -1.769 1.00 0.00 H new ATOM 85 N CYS A 8 11.683 -1.946 -2.275 1.00 0.00 N ATOM 86 CA CYS A 8 10.643 -1.063 -2.772 1.00 0.00 C ATOM 87 C CYS A 8 9.363 -1.859 -3.019 1.00 0.00 C ATOM 88 O CYS A 8 9.050 -2.253 -4.147 1.00 0.00 O ATOM 89 CB CYS A 8 11.142 -0.344 -4.029 1.00 0.00 C ATOM 90 SG CYS A 8 12.766 0.419 -3.722 1.00 0.00 S ATOM 0 H CYS A 8 12.381 -2.170 -2.984 1.00 0.00 H new ATOM 0 HA CYS A 8 10.407 -0.299 -2.031 1.00 0.00 H new ATOM 0 HB2 CYS A 8 11.216 -1.051 -4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 8 10.425 0.420 -4.327 1.00 0.00 H new ATOM 0 HG CYS A 8 13.173 1.022 -4.800 1.00 0.00 H new ATOM 96 N SER A 9 8.620 -2.121 -1.948 1.00 0.00 N ATOM 97 CA SER A 9 7.380 -2.868 -1.952 1.00 0.00 C ATOM 98 C SER A 9 6.595 -2.465 -0.696 1.00 0.00 C ATOM 99 O SER A 9 7.183 -2.033 0.300 1.00 0.00 O ATOM 100 CB SER A 9 7.785 -4.351 -2.002 1.00 0.00 C ATOM 101 OG SER A 9 6.694 -5.244 -1.980 1.00 0.00 O ATOM 0 H SER A 9 8.883 -1.802 -1.016 1.00 0.00 H new ATOM 0 HA SER A 9 6.725 -2.668 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.368 -4.528 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.436 -4.568 -1.155 1.00 0.00 H new ATOM 0 HG SER A 9 7.025 -6.166 -2.016 1.00 0.00 H new ATOM 107 N ILE A 10 5.267 -2.624 -0.729 1.00 0.00 N ATOM 108 CA ILE A 10 4.350 -2.294 0.368 1.00 0.00 C ATOM 109 C ILE A 10 4.723 -3.073 1.623 1.00 0.00 C ATOM 110 O ILE A 10 4.392 -2.642 2.717 1.00 0.00 O ATOM 111 CB ILE A 10 2.866 -2.580 0.003 1.00 0.00 C ATOM 112 CG1 ILE A 10 2.416 -1.890 -1.284 1.00 0.00 C ATOM 113 CG2 ILE A 10 1.900 -2.167 1.114 1.00 0.00 C ATOM 114 CD1 ILE A 10 1.080 -2.436 -1.811 1.00 0.00 C ATOM 0 H ILE A 10 4.785 -2.998 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 10 4.449 -1.224 0.552 1.00 0.00 H new ATOM 0 HB ILE A 10 2.832 -3.660 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.321 -0.819 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.183 -2.018 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.878 -2.388 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.134 -2.720 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.999 -1.098 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.808 -1.911 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.179 -3.501 -2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.304 -2.284 -1.061 1.00 0.00 H new ATOM 126 N VAL A 11 5.435 -4.193 1.502 1.00 0.00 N ATOM 127 CA VAL A 11 5.829 -4.986 2.668 1.00 0.00 C ATOM 128 C VAL A 11 6.460 -4.128 3.775 1.00 0.00 C ATOM 129 O VAL A 11 6.064 -4.221 4.933 1.00 0.00 O ATOM 130 CB VAL A 11 6.752 -6.137 2.265 1.00 0.00 C ATOM 131 CG1 VAL A 11 6.033 -7.122 1.336 1.00 0.00 C ATOM 132 CG2 VAL A 11 8.072 -5.712 1.617 1.00 0.00 C ATOM 0 H VAL A 11 5.751 -4.572 0.609 1.00 0.00 H new ATOM 0 HA VAL A 11 4.916 -5.412 3.084 1.00 0.00 H new ATOM 0 HB VAL A 11 7.011 -6.615 3.210 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.713 -7.930 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.163 -7.535 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.711 -6.602 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.656 -6.598 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.866 -5.145 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.635 -5.090 2.313 1.00 0.00 H new ATOM 142 N SER A 12 7.412 -3.278 3.402 1.00 0.00 N ATOM 143 CA SER A 12 8.121 -2.370 4.293 1.00 0.00 C ATOM 144 C SER A 12 7.147 -1.336 4.866 1.00 0.00 C ATOM 145 O SER A 12 7.198 -0.989 6.048 1.00 0.00 O ATOM 146 CB SER A 12 9.237 -1.719 3.463 1.00 0.00 C ATOM 147 OG SER A 12 9.759 -0.546 4.044 1.00 0.00 O ATOM 0 H SER A 12 7.721 -3.201 2.433 1.00 0.00 H new ATOM 0 HA SER A 12 8.555 -2.891 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.045 -2.438 3.328 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.851 -1.483 2.471 1.00 0.00 H new ATOM 0 HG SER A 12 10.464 -0.182 3.469 1.00 0.00 H new ATOM 153 N PHE A 13 6.255 -0.826 4.017 1.00 0.00 N ATOM 154 CA PHE A 13 5.274 0.173 4.417 1.00 0.00 C ATOM 155 C PHE A 13 4.373 -0.430 5.493 1.00 0.00 C ATOM 156 O PHE A 13 4.136 0.160 6.543 1.00 0.00 O ATOM 157 CB PHE A 13 4.499 0.627 3.178 1.00 0.00 C ATOM 158 CG PHE A 13 3.595 1.819 3.395 1.00 0.00 C ATOM 159 CD1 PHE A 13 2.196 1.697 3.274 1.00 0.00 C ATOM 160 CD2 PHE A 13 4.171 3.072 3.660 1.00 0.00 C ATOM 161 CE1 PHE A 13 1.371 2.825 3.443 1.00 0.00 C ATOM 162 CE2 PHE A 13 3.349 4.196 3.822 1.00 0.00 C ATOM 163 CZ PHE A 13 1.954 4.070 3.742 1.00 0.00 C ATOM 0 H PHE A 13 6.195 -1.096 3.035 1.00 0.00 H new ATOM 0 HA PHE A 13 5.750 1.056 4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.212 0.869 2.390 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.896 -0.207 2.818 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.756 0.736 3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.244 3.169 3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.299 2.735 3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.792 5.163 4.009 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.325 4.932 3.911 1.00 0.00 H new ATOM 173 N PHE A 14 3.891 -1.643 5.250 1.00 0.00 N ATOM 174 CA PHE A 14 3.040 -2.387 6.153 1.00 0.00 C ATOM 175 C PHE A 14 3.800 -2.701 7.430 1.00 0.00 C ATOM 176 O PHE A 14 3.195 -2.627 8.495 1.00 0.00 O ATOM 177 CB PHE A 14 2.512 -3.625 5.433 1.00 0.00 C ATOM 178 CG PHE A 14 1.294 -3.383 4.555 1.00 0.00 C ATOM 179 CD1 PHE A 14 0.629 -4.497 4.019 1.00 0.00 C ATOM 180 CD2 PHE A 14 0.839 -2.083 4.228 1.00 0.00 C ATOM 181 CE1 PHE A 14 -0.452 -4.329 3.145 1.00 0.00 C ATOM 182 CE2 PHE A 14 -0.258 -1.907 3.368 1.00 0.00 C ATOM 183 CZ PHE A 14 -0.892 -3.036 2.824 1.00 0.00 C ATOM 0 H PHE A 14 4.093 -2.148 4.387 1.00 0.00 H new ATOM 0 HA PHE A 14 2.172 -1.799 6.451 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.311 -4.037 4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.261 -4.381 6.177 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.954 -5.492 4.283 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.339 -1.220 4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.945 -5.191 2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.610 -0.915 3.128 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.727 -2.907 2.151 1.00 0.00 H new ATOM 193 N ALA A 15 5.102 -2.984 7.352 1.00 0.00 N ATOM 194 CA ALA A 15 5.915 -3.254 8.530 1.00 0.00 C ATOM 195 C ALA A 15 5.943 -1.994 9.406 1.00 0.00 C ATOM 196 O ALA A 15 5.958 -2.098 10.633 1.00 0.00 O ATOM 197 CB ALA A 15 7.328 -3.679 8.128 1.00 0.00 C ATOM 0 H ALA A 15 5.617 -3.031 6.473 1.00 0.00 H new ATOM 0 HA ALA A 15 5.481 -4.078 9.096 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.917 -3.875 9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.277 -4.583 7.521 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.798 -2.882 7.552 1.00 0.00 H new ATOM 203 N ARG A 16 5.950 -0.796 8.802 1.00 0.00 N ATOM 204 CA ARG A 16 5.940 0.452 9.563 1.00 0.00 C ATOM 205 C ARG A 16 4.555 0.645 10.191 1.00 0.00 C ATOM 206 O ARG A 16 4.461 0.893 11.394 1.00 0.00 O ATOM 207 CB ARG A 16 6.303 1.660 8.676 1.00 0.00 C ATOM 208 CG ARG A 16 7.762 1.710 8.181 1.00 0.00 C ATOM 209 CD ARG A 16 8.689 2.511 9.109 1.00 0.00 C ATOM 210 NE ARG A 16 8.811 1.885 10.437 1.00 0.00 N ATOM 211 CZ ARG A 16 9.863 1.235 10.944 1.00 0.00 C ATOM 212 NH1 ARG A 16 11.053 1.254 10.353 1.00 0.00 N ATOM 213 NH2 ARG A 16 9.706 0.568 12.074 1.00 0.00 N ATOM 0 H ARG A 16 5.963 -0.670 7.790 1.00 0.00 H new ATOM 0 HA ARG A 16 6.695 0.389 10.347 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.644 1.661 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.096 2.573 9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.142 0.693 8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.786 2.152 7.185 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.676 2.592 8.654 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.304 3.525 9.219 1.00 0.00 H new ATOM 0 HE ARG A 16 7.994 1.956 11.043 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.184 1.776 9.486 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.836 0.747 10.766 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.798 0.558 12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.493 0.064 12.482 1.00 0.00 H new ATOM 227 N LEU A 17 3.484 0.494 9.399 1.00 0.00 N ATOM 228 CA LEU A 17 2.099 0.665 9.854 1.00 0.00 C ATOM 229 C LEU A 17 1.704 -0.348 10.928 1.00 0.00 C ATOM 230 O LEU A 17 0.958 0.001 11.839 1.00 0.00 O ATOM 231 CB LEU A 17 1.094 0.482 8.697 1.00 0.00 C ATOM 232 CG LEU A 17 1.143 1.500 7.550 1.00 0.00 C ATOM 233 CD1 LEU A 17 0.093 1.142 6.492 1.00 0.00 C ATOM 234 CD2 LEU A 17 0.894 2.949 7.983 1.00 0.00 C ATOM 0 H LEU A 17 3.557 0.247 8.412 1.00 0.00 H new ATOM 0 HA LEU A 17 2.061 1.677 10.256 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.246 -0.511 8.273 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.089 0.498 9.118 1.00 0.00 H new ATOM 0 HG LEU A 17 2.158 1.444 7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.132 1.868 5.680 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.298 0.146 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.899 1.157 6.944 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.946 3.603 7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.093 3.028 8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.652 3.248 8.707 1.00 0.00 H new ATOM 246 N GLY A 18 2.191 -1.583 10.836 1.00 0.00 N ATOM 247 CA GLY A 18 1.903 -2.679 11.745 1.00 0.00 C ATOM 248 C GLY A 18 0.993 -3.710 11.084 1.00 0.00 C ATOM 249 O GLY A 18 0.357 -4.488 11.795 1.00 0.00 O ATOM 0 H GLY A 18 2.828 -1.855 10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.834 -3.155 12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.427 -2.293 12.647 1.00 0.00 H new ATOM 253 N CYS A 19 0.843 -3.684 9.753 1.00 0.00 N ATOM 254 CA CYS A 19 0.000 -4.644 9.055 1.00 0.00 C ATOM 255 C CYS A 19 0.812 -5.930 8.873 1.00 0.00 C ATOM 256 O CYS A 19 1.662 -5.981 7.985 1.00 0.00 O ATOM 257 CB CYS A 19 -0.472 -4.089 7.702 1.00 0.00 C ATOM 258 SG CYS A 19 -0.905 -2.337 7.826 1.00 0.00 S ATOM 0 H CYS A 19 1.298 -3.005 9.144 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.899 -4.847 9.637 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.314 -4.220 6.958 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -1.336 -4.656 7.355 1.00 0.00 H new ATOM 0 HG CYS A 19 -1.296 -1.903 6.665 1.00 0.00 H new ATOM 264 N SER A 20 0.540 -6.974 9.653 1.00 0.00 N ATOM 265 CA SER A 20 1.288 -8.223 9.556 1.00 0.00 C ATOM 266 C SER A 20 0.764 -9.152 8.461 1.00 0.00 C ATOM 267 O SER A 20 1.300 -9.137 7.350 1.00 0.00 O ATOM 268 CB SER A 20 1.381 -8.880 10.933 1.00 0.00 C ATOM 269 OG SER A 20 1.838 -7.929 11.875 1.00 0.00 O ATOM 0 H SER A 20 -0.195 -6.978 10.360 1.00 0.00 H new ATOM 0 HA SER A 20 2.304 -7.991 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.406 -9.265 11.232 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.062 -9.730 10.898 1.00 0.00 H new ATOM 0 HG SER A 20 1.897 -8.347 12.759 1.00 0.00 H new ATOM 275 N SER A 21 -0.281 -9.939 8.719 1.00 0.00 N ATOM 276 CA SER A 21 -0.858 -10.884 7.761 1.00 0.00 C ATOM 277 C SER A 21 -1.274 -10.238 6.432 1.00 0.00 C ATOM 278 O SER A 21 -1.315 -10.910 5.405 1.00 0.00 O ATOM 279 CB SER A 21 -2.011 -11.665 8.427 1.00 0.00 C ATOM 280 OG SER A 21 -2.480 -11.040 9.620 1.00 0.00 O ATOM 0 H SER A 21 -0.761 -9.938 9.619 1.00 0.00 H new ATOM 0 HA SER A 21 -0.074 -11.589 7.484 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.837 -11.758 7.722 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.674 -12.675 8.659 1.00 0.00 H new ATOM 0 HG SER A 21 -3.210 -11.571 10.002 1.00 0.00 H new ATOM 286 N CYS A 22 -1.531 -8.929 6.407 1.00 0.00 N ATOM 287 CA CYS A 22 -1.930 -8.252 5.184 1.00 0.00 C ATOM 288 C CYS A 22 -0.792 -8.247 4.160 1.00 0.00 C ATOM 289 O CYS A 22 -1.053 -8.268 2.958 1.00 0.00 O ATOM 290 CB CYS A 22 -2.375 -6.817 5.487 1.00 0.00 C ATOM 291 SG CYS A 22 -3.290 -6.697 7.058 1.00 0.00 S ATOM 0 H CYS A 22 -1.468 -8.321 7.224 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.770 -8.799 4.757 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.500 -6.168 5.528 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.004 -6.454 4.674 1.00 0.00 H new ATOM 0 HG CYS A 22 -4.041 -5.636 7.043 1.00 0.00 H new ATOM 297 N LEU A 23 0.466 -8.161 4.616 1.00 0.00 N ATOM 298 CA LEU A 23 1.597 -8.154 3.706 1.00 0.00 C ATOM 299 C LEU A 23 1.746 -9.547 3.117 1.00 0.00 C ATOM 300 O LEU A 23 2.085 -9.647 1.952 1.00 0.00 O ATOM 301 CB LEU A 23 2.872 -7.600 4.370 1.00 0.00 C ATOM 302 CG LEU A 23 3.729 -8.584 5.189 1.00 0.00 C ATOM 303 CD1 LEU A 23 4.812 -9.267 4.342 1.00 0.00 C ATOM 304 CD2 LEU A 23 4.402 -7.823 6.335 1.00 0.00 C ATOM 0 H LEU A 23 0.714 -8.096 5.603 1.00 0.00 H new ATOM 0 HA LEU A 23 1.417 -7.463 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.502 -7.175 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.581 -6.780 5.026 1.00 0.00 H new ATOM 0 HG LEU A 23 3.066 -9.362 5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.387 -9.950 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.342 -9.825 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.477 -8.511 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.011 -8.511 6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.035 -7.036 5.926 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.639 -7.379 6.975 1.00 0.00 H new ATOM 316 N ASP A 24 1.480 -10.603 3.887 1.00 0.00 N ATOM 317 CA ASP A 24 1.572 -11.990 3.432 1.00 0.00 C ATOM 318 C ASP A 24 0.588 -12.219 2.284 1.00 0.00 C ATOM 319 O ASP A 24 0.939 -12.782 1.245 1.00 0.00 O ATOM 320 CB ASP A 24 1.290 -12.924 4.609 1.00 0.00 C ATOM 321 CG ASP A 24 1.087 -14.360 4.152 1.00 0.00 C ATOM 322 OD1 ASP A 24 2.046 -15.155 4.262 1.00 0.00 O ATOM 323 OD2 ASP A 24 -0.059 -14.737 3.816 1.00 0.00 O ATOM 0 H ASP A 24 1.190 -10.516 4.861 1.00 0.00 H new ATOM 0 HA ASP A 24 2.575 -12.201 3.060 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.120 -12.881 5.315 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.402 -12.582 5.140 1.00 0.00 H new ATOM 328 N TYR A 25 -0.641 -11.724 2.452 1.00 0.00 N ATOM 329 CA TYR A 25 -1.678 -11.840 1.438 1.00 0.00 C ATOM 330 C TYR A 25 -1.168 -11.157 0.163 1.00 0.00 C ATOM 331 O TYR A 25 -1.201 -11.733 -0.934 1.00 0.00 O ATOM 332 CB TYR A 25 -2.965 -11.178 1.949 1.00 0.00 C ATOM 333 CG TYR A 25 -3.539 -11.667 3.268 1.00 0.00 C ATOM 334 CD1 TYR A 25 -4.445 -10.824 3.938 1.00 0.00 C ATOM 335 CD2 TYR A 25 -3.206 -12.920 3.831 1.00 0.00 C ATOM 336 CE1 TYR A 25 -5.041 -11.225 5.141 1.00 0.00 C ATOM 337 CE2 TYR A 25 -3.795 -13.326 5.043 1.00 0.00 C ATOM 338 CZ TYR A 25 -4.724 -12.484 5.693 1.00 0.00 C ATOM 339 OH TYR A 25 -5.355 -12.892 6.822 1.00 0.00 O ATOM 0 H TYR A 25 -0.939 -11.233 3.295 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.904 -12.884 1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.777 -10.108 2.042 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.732 -11.302 1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.684 -9.857 3.520 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.499 -13.566 3.331 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.740 -10.573 5.644 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.537 -14.281 5.476 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.029 -13.780 7.076 1.00 0.00 H new ATOM 349 N PHE A 26 -0.672 -9.924 0.311 1.00 0.00 N ATOM 350 CA PHE A 26 -0.141 -9.176 -0.802 1.00 0.00 C ATOM 351 C PHE A 26 1.035 -9.911 -1.461 1.00 0.00 C ATOM 352 O PHE A 26 0.999 -10.103 -2.675 1.00 0.00 O ATOM 353 CB PHE A 26 0.286 -7.769 -0.357 1.00 0.00 C ATOM 354 CG PHE A 26 -0.671 -6.643 -0.712 1.00 0.00 C ATOM 355 CD1 PHE A 26 -0.499 -5.841 -1.863 1.00 0.00 C ATOM 356 CD2 PHE A 26 -1.742 -6.372 0.153 1.00 0.00 C ATOM 357 CE1 PHE A 26 -1.352 -4.760 -2.124 1.00 0.00 C ATOM 358 CE2 PHE A 26 -2.604 -5.298 -0.105 1.00 0.00 C ATOM 359 CZ PHE A 26 -2.405 -4.481 -1.234 1.00 0.00 C ATOM 0 H PHE A 26 -0.633 -9.432 1.203 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.934 -9.080 -1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.423 -7.777 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.257 -7.548 -0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.302 -6.065 -2.552 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.903 -6.994 1.021 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.202 -4.147 -3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.426 -5.096 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.060 -3.642 -1.417 1.00 0.00 H new ATOM 369 N THR A 27 2.078 -10.320 -0.741 1.00 0.00 N ATOM 370 CA THR A 27 3.222 -10.984 -1.363 1.00 0.00 C ATOM 371 C THR A 27 2.782 -12.170 -2.220 1.00 0.00 C ATOM 372 O THR A 27 3.289 -12.303 -3.338 1.00 0.00 O ATOM 373 CB THR A 27 4.320 -11.343 -0.338 1.00 0.00 C ATOM 374 OG1 THR A 27 3.839 -12.263 0.618 1.00 0.00 O ATOM 375 CG2 THR A 27 4.922 -10.128 0.376 1.00 0.00 C ATOM 0 H THR A 27 2.155 -10.204 0.269 1.00 0.00 H new ATOM 0 HA THR A 27 3.685 -10.270 -2.044 1.00 0.00 H new ATOM 0 HB THR A 27 5.121 -11.797 -0.921 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.859 -12.264 0.607 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.685 -10.461 1.080 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.372 -9.460 -0.359 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.138 -9.598 0.916 1.00 0.00 H new ATOM 383 N THR A 28 1.819 -12.975 -1.767 1.00 0.00 N ATOM 384 CA THR A 28 1.340 -14.097 -2.558 1.00 0.00 C ATOM 385 C THR A 28 0.634 -13.588 -3.825 1.00 0.00 C ATOM 386 O THR A 28 0.852 -14.167 -4.890 1.00 0.00 O ATOM 387 CB THR A 28 0.500 -15.025 -1.673 1.00 0.00 C ATOM 388 OG1 THR A 28 1.403 -15.596 -0.743 1.00 0.00 O ATOM 389 CG2 THR A 28 -0.150 -16.167 -2.460 1.00 0.00 C ATOM 0 H THR A 28 1.361 -12.868 -0.862 1.00 0.00 H new ATOM 0 HA THR A 28 2.169 -14.705 -2.921 1.00 0.00 H new ATOM 0 HB THR A 28 -0.305 -14.451 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.917 -16.202 -0.145 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.732 -16.791 -1.782 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.806 -15.754 -3.226 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.625 -16.770 -2.933 1.00 0.00 H new ATOM 397 N GLN A 29 -0.152 -12.501 -3.774 1.00 0.00 N ATOM 398 CA GLN A 29 -0.820 -11.980 -4.964 1.00 0.00 C ATOM 399 C GLN A 29 0.196 -11.377 -5.960 1.00 0.00 C ATOM 400 O GLN A 29 -0.150 -11.149 -7.120 1.00 0.00 O ATOM 401 CB GLN A 29 -1.886 -10.958 -4.543 1.00 0.00 C ATOM 402 CG GLN A 29 -3.013 -11.529 -3.669 1.00 0.00 C ATOM 403 CD GLN A 29 -4.101 -12.278 -4.439 1.00 0.00 C ATOM 404 OE1 GLN A 29 -3.965 -12.599 -5.621 1.00 0.00 O ATOM 405 NE2 GLN A 29 -5.208 -12.568 -3.782 1.00 0.00 N ATOM 0 H GLN A 29 -0.336 -11.972 -2.922 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.314 -12.800 -5.485 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.399 -10.148 -4.000 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.326 -10.522 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.577 -12.205 -2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.475 -10.711 -3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.307 -12.296 -2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.965 -13.064 -4.252 1.00 0.00 H new ATOM 414 N GLY A 30 1.443 -11.124 -5.535 1.00 0.00 N ATOM 415 CA GLY A 30 2.517 -10.579 -6.365 1.00 0.00 C ATOM 416 C GLY A 30 2.214 -9.189 -6.912 1.00 0.00 C ATOM 417 O GLY A 30 2.671 -8.837 -8.002 1.00 0.00 O ATOM 0 H GLY A 30 1.736 -11.300 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.435 -10.538 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.702 -11.257 -7.198 1.00 0.00 H new ATOM 421 N LEU A 31 1.451 -8.395 -6.166 1.00 0.00 N ATOM 422 CA LEU A 31 1.029 -7.039 -6.545 1.00 0.00 C ATOM 423 C LEU A 31 1.351 -5.983 -5.486 1.00 0.00 C ATOM 424 O LEU A 31 0.729 -4.921 -5.450 1.00 0.00 O ATOM 425 CB LEU A 31 -0.426 -7.008 -7.063 1.00 0.00 C ATOM 426 CG LEU A 31 -1.522 -7.769 -6.295 1.00 0.00 C ATOM 427 CD1 LEU A 31 -2.244 -6.854 -5.302 1.00 0.00 C ATOM 428 CD2 LEU A 31 -2.547 -8.410 -7.230 1.00 0.00 C ATOM 0 H LEU A 31 1.096 -8.680 -5.253 1.00 0.00 H new ATOM 0 HA LEU A 31 1.644 -6.745 -7.396 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.731 -5.963 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.417 -7.390 -8.084 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.014 -8.564 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.012 -7.422 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.527 -6.460 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.709 -6.028 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.299 -8.935 -6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.029 -7.636 -7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.045 -9.117 -7.890 1.00 0.00 H new ATOM 440 N THR A 32 2.319 -6.253 -4.609 1.00 0.00 N ATOM 441 CA THR A 32 2.687 -5.293 -3.585 1.00 0.00 C ATOM 442 C THR A 32 3.683 -4.331 -4.201 1.00 0.00 C ATOM 443 O THR A 32 4.784 -4.725 -4.602 1.00 0.00 O ATOM 444 CB THR A 32 3.235 -6.028 -2.341 1.00 0.00 C ATOM 445 OG1 THR A 32 4.057 -5.213 -1.544 1.00 0.00 O ATOM 446 CG2 THR A 32 3.975 -7.351 -2.592 1.00 0.00 C ATOM 0 H THR A 32 2.854 -7.121 -4.592 1.00 0.00 H new ATOM 0 HA THR A 32 1.826 -4.723 -3.236 1.00 0.00 H new ATOM 0 HB THR A 32 2.311 -6.280 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.938 -5.126 -1.965 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.309 -7.767 -1.642 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.303 -8.057 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.838 -7.169 -3.232 1.00 0.00 H new ATOM 454 N THR A 33 3.306 -3.056 -4.246 1.00 0.00 N ATOM 455 CA THR A 33 4.140 -2.006 -4.767 1.00 0.00 C ATOM 456 C THR A 33 3.697 -0.675 -4.166 1.00 0.00 C ATOM 457 O THR A 33 2.508 -0.473 -3.927 1.00 0.00 O ATOM 458 CB THR A 33 4.016 -2.067 -6.299 1.00 0.00 C ATOM 459 OG1 THR A 33 4.256 -0.810 -6.896 1.00 0.00 O ATOM 460 CG2 THR A 33 2.702 -2.718 -6.834 1.00 0.00 C ATOM 0 H THR A 33 2.398 -2.731 -3.914 1.00 0.00 H new ATOM 0 HA THR A 33 5.191 -2.119 -4.502 1.00 0.00 H new ATOM 0 HB THR A 33 4.806 -2.752 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.781 -0.931 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.711 -2.713 -7.924 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.633 -3.745 -6.476 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.843 -2.151 -6.476 1.00 0.00 H new ATOM 468 N ILE A 34 4.642 0.242 -3.977 1.00 0.00 N ATOM 469 CA ILE A 34 4.359 1.561 -3.404 1.00 0.00 C ATOM 470 C ILE A 34 3.747 2.496 -4.453 1.00 0.00 C ATOM 471 O ILE A 34 2.653 3.030 -4.293 1.00 0.00 O ATOM 472 CB ILE A 34 5.598 2.195 -2.709 1.00 0.00 C ATOM 473 CG1 ILE A 34 6.460 1.144 -1.962 1.00 0.00 C ATOM 474 CG2 ILE A 34 5.124 3.311 -1.759 1.00 0.00 C ATOM 475 CD1 ILE A 34 7.422 1.695 -0.899 1.00 0.00 C ATOM 0 H ILE A 34 5.623 0.096 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 34 3.620 1.414 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 34 6.244 2.620 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.791 0.429 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.042 0.591 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.986 3.761 -1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.593 4.073 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.457 2.890 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.971 0.871 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.124 2.385 -1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.854 2.221 -0.132 1.00 0.00 H new ATOM 487 N TYR A 35 4.456 2.644 -5.567 1.00 0.00 N ATOM 488 CA TYR A 35 4.138 3.509 -6.694 1.00 0.00 C ATOM 489 C TYR A 35 2.784 3.207 -7.308 1.00 0.00 C ATOM 490 O TYR A 35 2.191 4.047 -7.986 1.00 0.00 O ATOM 491 CB TYR A 35 5.219 3.350 -7.777 1.00 0.00 C ATOM 492 CG TYR A 35 6.634 3.018 -7.320 1.00 0.00 C ATOM 493 CD1 TYR A 35 7.391 2.095 -8.067 1.00 0.00 C ATOM 494 CD2 TYR A 35 7.182 3.574 -6.144 1.00 0.00 C ATOM 495 CE1 TYR A 35 8.690 1.748 -7.664 1.00 0.00 C ATOM 496 CE2 TYR A 35 8.458 3.183 -5.703 1.00 0.00 C ATOM 497 CZ TYR A 35 9.235 2.304 -6.489 1.00 0.00 C ATOM 498 OH TYR A 35 10.509 2.009 -6.130 1.00 0.00 O ATOM 0 H TYR A 35 5.324 2.129 -5.715 1.00 0.00 H new ATOM 0 HA TYR A 35 4.105 4.530 -6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.895 2.567 -8.462 1.00 0.00 H new ATOM 0 HB3 TYR A 35 5.260 4.277 -8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.969 1.651 -8.956 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.618 4.303 -5.581 1.00 0.00 H new ATOM 0 HE1 TYR A 35 9.272 1.055 -8.254 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.843 3.554 -4.765 1.00 0.00 H new ATOM 0 HH TYR A 35 10.683 2.354 -5.230 1.00 0.00 H new ATOM 508 N GLN A 36 2.335 1.966 -7.151 1.00 0.00 N ATOM 509 CA GLN A 36 1.059 1.550 -7.698 1.00 0.00 C ATOM 510 C GLN A 36 -0.064 2.028 -6.797 1.00 0.00 C ATOM 511 O GLN A 36 -0.948 2.722 -7.288 1.00 0.00 O ATOM 512 CB GLN A 36 1.032 0.041 -7.899 1.00 0.00 C ATOM 513 CG GLN A 36 1.823 -0.443 -9.127 1.00 0.00 C ATOM 514 CD GLN A 36 1.544 0.330 -10.405 1.00 0.00 C ATOM 515 OE1 GLN A 36 0.564 0.095 -11.100 1.00 0.00 O ATOM 516 NE2 GLN A 36 2.427 1.248 -10.756 1.00 0.00 N ATOM 0 H GLN A 36 2.839 1.235 -6.649 1.00 0.00 H new ATOM 0 HA GLN A 36 0.916 2.004 -8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.434 -0.441 -7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.004 -0.283 -7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.888 -0.379 -8.905 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.595 -1.495 -9.298 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.237 1.429 -10.163 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.298 1.775 -11.620 1.00 0.00 H new ATOM 525 N ILE A 37 -0.028 1.719 -5.496 1.00 0.00 N ATOM 526 CA ILE A 37 -1.087 2.166 -4.593 1.00 0.00 C ATOM 527 C ILE A 37 -1.162 3.701 -4.573 1.00 0.00 C ATOM 528 O ILE A 37 -2.239 4.246 -4.351 1.00 0.00 O ATOM 529 CB ILE A 37 -0.964 1.521 -3.200 1.00 0.00 C ATOM 530 CG1 ILE A 37 0.344 1.920 -2.499 1.00 0.00 C ATOM 531 CG2 ILE A 37 -1.136 -0.004 -3.298 1.00 0.00 C ATOM 532 CD1 ILE A 37 0.394 1.492 -1.040 1.00 0.00 C ATOM 0 H ILE A 37 0.710 1.171 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.047 1.818 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.770 1.904 -2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.185 1.475 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.466 3.002 -2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.046 -0.445 -2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.119 -0.234 -3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.365 -0.416 -3.949 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.342 1.803 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.427 1.958 -0.496 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.303 0.408 -0.976 1.00 0.00 H new ATOM 544 N GLU A 38 -0.066 4.408 -4.867 1.00 0.00 N ATOM 545 CA GLU A 38 -0.046 5.868 -4.909 1.00 0.00 C ATOM 546 C GLU A 38 -0.990 6.401 -6.003 1.00 0.00 C ATOM 547 O GLU A 38 -1.500 7.517 -5.879 1.00 0.00 O ATOM 548 CB GLU A 38 1.380 6.355 -5.211 1.00 0.00 C ATOM 549 CG GLU A 38 2.317 6.329 -3.996 1.00 0.00 C ATOM 550 CD GLU A 38 3.780 6.547 -4.396 1.00 0.00 C ATOM 551 OE1 GLU A 38 4.044 7.334 -5.333 1.00 0.00 O ATOM 552 OE2 GLU A 38 4.680 5.948 -3.763 1.00 0.00 O ATOM 0 H GLU A 38 0.834 3.979 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.379 6.239 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.806 5.734 -5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.331 7.373 -5.598 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.015 7.102 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.220 5.372 -3.483 1.00 0.00 H new ATOM 559 N HIS A 39 -1.242 5.628 -7.067 1.00 0.00 N ATOM 560 CA HIS A 39 -2.108 6.021 -8.176 1.00 0.00 C ATOM 561 C HIS A 39 -3.409 5.206 -8.240 1.00 0.00 C ATOM 562 O HIS A 39 -4.390 5.670 -8.824 1.00 0.00 O ATOM 563 CB HIS A 39 -1.295 5.922 -9.476 1.00 0.00 C ATOM 564 CG HIS A 39 -1.902 6.625 -10.666 1.00 0.00 C ATOM 565 ND1 HIS A 39 -1.682 6.298 -11.982 1.00 0.00 N ATOM 566 CD2 HIS A 39 -2.722 7.722 -10.648 1.00 0.00 C ATOM 567 CE1 HIS A 39 -2.377 7.156 -12.740 1.00 0.00 C ATOM 568 NE2 HIS A 39 -2.988 8.086 -11.979 1.00 0.00 N ATOM 0 H HIS A 39 -0.841 4.697 -7.179 1.00 0.00 H new ATOM 0 HA HIS A 39 -2.436 7.049 -8.023 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.302 6.335 -9.298 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.163 4.869 -9.724 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.098 8.220 -9.766 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.440 7.109 -13.817 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.530 8.887 -12.302 1.00 0.00 H new ATOM 576 N TYR A 40 -3.429 4.013 -7.646 1.00 0.00 N ATOM 577 CA TYR A 40 -4.586 3.133 -7.603 1.00 0.00 C ATOM 578 C TYR A 40 -5.541 3.670 -6.534 1.00 0.00 C ATOM 579 O TYR A 40 -5.202 3.733 -5.348 1.00 0.00 O ATOM 580 CB TYR A 40 -4.193 1.672 -7.288 1.00 0.00 C ATOM 581 CG TYR A 40 -3.645 0.811 -8.425 1.00 0.00 C ATOM 582 CD1 TYR A 40 -2.582 -0.113 -8.224 1.00 0.00 C ATOM 583 CD2 TYR A 40 -4.296 0.845 -9.678 1.00 0.00 C ATOM 584 CE1 TYR A 40 -2.187 -0.962 -9.276 1.00 0.00 C ATOM 585 CE2 TYR A 40 -3.882 0.013 -10.730 1.00 0.00 C ATOM 586 CZ TYR A 40 -2.817 -0.887 -10.535 1.00 0.00 C ATOM 587 OH TYR A 40 -2.462 -1.735 -11.536 1.00 0.00 O ATOM 0 H TYR A 40 -2.615 3.625 -7.169 1.00 0.00 H new ATOM 0 HA TYR A 40 -5.064 3.121 -8.582 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.445 1.692 -6.495 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.072 1.170 -6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.080 -0.163 -7.269 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.125 1.521 -9.829 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.394 -1.677 -9.117 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.380 0.063 -11.687 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.999 -1.543 -12.333 1.00 0.00 H new ATOM 597 N SER A 41 -6.729 4.102 -6.943 1.00 0.00 N ATOM 598 CA SER A 41 -7.743 4.620 -6.038 1.00 0.00 C ATOM 599 C SER A 41 -8.318 3.481 -5.190 1.00 0.00 C ATOM 600 O SER A 41 -8.177 2.308 -5.538 1.00 0.00 O ATOM 601 CB SER A 41 -8.838 5.288 -6.871 1.00 0.00 C ATOM 602 OG SER A 41 -8.251 6.187 -7.791 1.00 0.00 O ATOM 0 H SER A 41 -7.016 4.102 -7.922 1.00 0.00 H new ATOM 0 HA SER A 41 -7.307 5.353 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.416 4.533 -7.403 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.532 5.820 -6.219 1.00 0.00 H new ATOM 0 HG SER A 41 -8.953 6.613 -8.325 1.00 0.00 H new ATOM 608 N MET A 42 -9.028 3.817 -4.106 1.00 0.00 N ATOM 609 CA MET A 42 -9.629 2.827 -3.209 1.00 0.00 C ATOM 610 C MET A 42 -10.536 1.831 -3.946 1.00 0.00 C ATOM 611 O MET A 42 -10.664 0.685 -3.512 1.00 0.00 O ATOM 612 CB MET A 42 -10.335 3.504 -2.024 1.00 0.00 C ATOM 613 CG MET A 42 -11.377 4.566 -2.374 1.00 0.00 C ATOM 614 SD MET A 42 -12.249 5.164 -0.897 1.00 0.00 S ATOM 615 CE MET A 42 -13.803 4.246 -1.047 1.00 0.00 C ATOM 0 H MET A 42 -9.201 4.783 -3.828 1.00 0.00 H new ATOM 0 HA MET A 42 -8.813 2.231 -2.800 1.00 0.00 H new ATOM 0 HB2 MET A 42 -10.821 2.731 -1.428 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.576 3.964 -1.391 1.00 0.00 H new ATOM 0 HG2 MET A 42 -10.890 5.404 -2.873 1.00 0.00 H new ATOM 0 HG3 MET A 42 -12.097 4.151 -3.079 1.00 0.00 H new ATOM 0 HE1 MET A 42 -14.390 4.374 -0.138 1.00 0.00 H new ATOM 0 HE2 MET A 42 -14.368 4.623 -1.899 1.00 0.00 H new ATOM 0 HE3 MET A 42 -13.588 3.188 -1.194 1.00 0.00 H new ATOM 625 N ASP A 43 -11.110 2.240 -5.077 1.00 0.00 N ATOM 626 CA ASP A 43 -11.979 1.438 -5.927 1.00 0.00 C ATOM 627 C ASP A 43 -11.213 0.224 -6.450 1.00 0.00 C ATOM 628 O ASP A 43 -11.730 -0.894 -6.440 1.00 0.00 O ATOM 629 CB ASP A 43 -12.437 2.273 -7.134 1.00 0.00 C ATOM 630 CG ASP A 43 -13.407 3.389 -6.766 1.00 0.00 C ATOM 631 OD1 ASP A 43 -14.543 3.394 -7.298 1.00 0.00 O ATOM 632 OD2 ASP A 43 -13.040 4.266 -5.954 1.00 0.00 O ATOM 0 H ASP A 43 -10.973 3.184 -5.439 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.840 1.116 -5.342 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.563 2.707 -7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.911 1.615 -7.862 1.00 0.00 H new ATOM 637 N ASP A 44 -9.979 0.448 -6.916 1.00 0.00 N ATOM 638 CA ASP A 44 -9.095 -0.580 -7.456 1.00 0.00 C ATOM 639 C ASP A 44 -8.703 -1.547 -6.355 1.00 0.00 C ATOM 640 O ASP A 44 -8.705 -2.759 -6.567 1.00 0.00 O ATOM 641 CB ASP A 44 -7.834 0.030 -8.091 1.00 0.00 C ATOM 642 CG ASP A 44 -7.890 -0.109 -9.603 1.00 0.00 C ATOM 643 OD1 ASP A 44 -8.059 0.918 -10.293 1.00 0.00 O ATOM 644 OD2 ASP A 44 -7.820 -1.250 -10.119 1.00 0.00 O ATOM 0 H ASP A 44 -9.560 1.378 -6.926 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.637 -1.111 -8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.753 1.082 -7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.945 -0.469 -7.705 1.00 0.00 H new ATOM 649 N LEU A 45 -8.390 -1.023 -5.165 1.00 0.00 N ATOM 650 CA LEU A 45 -8.020 -1.862 -4.034 1.00 0.00 C ATOM 651 C LEU A 45 -9.209 -2.790 -3.743 1.00 0.00 C ATOM 652 O LEU A 45 -9.017 -3.983 -3.509 1.00 0.00 O ATOM 653 CB LEU A 45 -7.628 -1.034 -2.803 1.00 0.00 C ATOM 654 CG LEU A 45 -6.238 -0.361 -2.812 1.00 0.00 C ATOM 655 CD1 LEU A 45 -6.090 0.814 -3.780 1.00 0.00 C ATOM 656 CD2 LEU A 45 -5.971 0.191 -1.407 1.00 0.00 C ATOM 0 H LEU A 45 -8.387 -0.023 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.135 -2.448 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.378 -0.255 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.682 -1.683 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.538 -1.132 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.080 1.217 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.276 0.472 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.809 1.591 -3.521 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.993 0.673 -1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.740 0.919 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.989 -0.626 -0.686 1.00 0.00 H new ATOM 668 N ALA A 46 -10.446 -2.278 -3.772 1.00 0.00 N ATOM 669 CA ALA A 46 -11.628 -3.104 -3.544 1.00 0.00 C ATOM 670 C ALA A 46 -11.721 -4.157 -4.665 1.00 0.00 C ATOM 671 O ALA A 46 -12.056 -5.319 -4.410 1.00 0.00 O ATOM 672 CB ALA A 46 -12.878 -2.227 -3.453 1.00 0.00 C ATOM 0 H ALA A 46 -10.649 -1.295 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.550 -3.630 -2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.752 -2.856 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.770 -1.524 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.004 -1.675 -4.384 1.00 0.00 H new ATOM 678 N SER A 47 -11.394 -3.786 -5.909 1.00 0.00 N ATOM 679 CA SER A 47 -11.405 -4.699 -7.050 1.00 0.00 C ATOM 680 C SER A 47 -10.330 -5.784 -6.885 1.00 0.00 C ATOM 681 O SER A 47 -10.462 -6.870 -7.448 1.00 0.00 O ATOM 682 CB SER A 47 -11.241 -3.923 -8.359 1.00 0.00 C ATOM 683 OG SER A 47 -12.376 -3.105 -8.574 1.00 0.00 O ATOM 0 H SER A 47 -11.113 -2.836 -6.150 1.00 0.00 H new ATOM 0 HA SER A 47 -12.370 -5.203 -7.089 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.341 -3.310 -8.319 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.118 -4.616 -9.191 1.00 0.00 H new ATOM 0 HG SER A 47 -12.344 -2.335 -7.969 1.00 0.00 H new ATOM 689 N LEU A 48 -9.308 -5.551 -6.061 1.00 0.00 N ATOM 690 CA LEU A 48 -8.234 -6.497 -5.767 1.00 0.00 C ATOM 691 C LEU A 48 -8.607 -7.345 -4.535 1.00 0.00 C ATOM 692 O LEU A 48 -7.742 -7.969 -3.919 1.00 0.00 O ATOM 693 CB LEU A 48 -6.902 -5.747 -5.611 1.00 0.00 C ATOM 694 CG LEU A 48 -6.406 -5.155 -6.947 1.00 0.00 C ATOM 695 CD1 LEU A 48 -5.395 -4.041 -6.685 1.00 0.00 C ATOM 696 CD2 LEU A 48 -5.772 -6.233 -7.835 1.00 0.00 C ATOM 0 H LEU A 48 -9.203 -4.667 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.103 -7.191 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.022 -4.945 -4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.148 -6.427 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.269 -4.746 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.052 -3.631 -7.635 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.866 -3.253 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.544 -4.444 -6.135 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.433 -5.783 -8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.922 -6.678 -7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.509 -7.006 -8.052 1.00 0.00 H new ATOM 708 N LYS A 49 -9.905 -7.401 -4.194 1.00 0.00 N ATOM 709 CA LYS A 49 -10.530 -8.136 -3.088 1.00 0.00 C ATOM 710 C LYS A 49 -10.167 -7.606 -1.701 1.00 0.00 C ATOM 711 O LYS A 49 -10.436 -8.282 -0.708 1.00 0.00 O ATOM 712 CB LYS A 49 -10.318 -9.663 -3.254 1.00 0.00 C ATOM 713 CG LYS A 49 -11.204 -10.248 -4.368 1.00 0.00 C ATOM 714 CD LYS A 49 -12.624 -10.542 -3.870 1.00 0.00 C ATOM 715 CE LYS A 49 -12.633 -11.865 -3.088 1.00 0.00 C ATOM 716 NZ LYS A 49 -13.853 -12.028 -2.277 1.00 0.00 N ATOM 0 H LYS A 49 -10.602 -6.888 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.603 -7.952 -3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.271 -9.861 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.540 -10.165 -2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.249 -9.548 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.754 -11.166 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.972 -9.729 -3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.311 -10.602 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.550 -12.698 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.759 -11.906 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.813 -12.934 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.921 -11.249 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.687 -12.016 -2.898 1.00 0.00 H new ATOM 730 N ILE A 50 -9.579 -6.421 -1.590 1.00 0.00 N ATOM 731 CA ILE A 50 -9.213 -5.855 -0.295 1.00 0.00 C ATOM 732 C ILE A 50 -10.516 -5.407 0.407 1.00 0.00 C ATOM 733 O ILE A 50 -11.243 -4.585 -0.155 1.00 0.00 O ATOM 734 CB ILE A 50 -8.175 -4.725 -0.478 1.00 0.00 C ATOM 735 CG1 ILE A 50 -6.983 -5.111 -1.390 1.00 0.00 C ATOM 736 CG2 ILE A 50 -7.604 -4.335 0.888 1.00 0.00 C ATOM 737 CD1 ILE A 50 -6.116 -6.253 -0.850 1.00 0.00 C ATOM 0 H ILE A 50 -9.344 -5.829 -2.387 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.724 -6.590 0.345 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.708 -3.903 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.368 -5.395 -2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -6.355 -4.233 -1.537 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.871 -3.538 0.762 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.411 -3.988 1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.123 -5.201 1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.306 -6.457 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.698 -5.967 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.727 -7.148 -0.730 1.00 0.00 H new ATOM 749 N PRO A 51 -10.858 -5.925 1.607 1.00 0.00 N ATOM 750 CA PRO A 51 -12.079 -5.557 2.319 1.00 0.00 C ATOM 751 C PRO A 51 -11.968 -4.123 2.826 1.00 0.00 C ATOM 752 O PRO A 51 -10.929 -3.739 3.362 1.00 0.00 O ATOM 753 CB PRO A 51 -12.224 -6.576 3.449 1.00 0.00 C ATOM 754 CG PRO A 51 -10.780 -6.959 3.759 1.00 0.00 C ATOM 755 CD PRO A 51 -10.103 -6.890 2.388 1.00 0.00 C ATOM 0 HA PRO A 51 -12.964 -5.581 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.722 -6.146 4.318 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.812 -7.440 3.139 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.323 -6.270 4.470 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.711 -7.956 4.193 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.062 -6.583 2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.104 -7.867 1.905 1.00 0.00 H new ATOM 763 N GLU A 52 -13.052 -3.361 2.707 1.00 0.00 N ATOM 764 CA GLU A 52 -13.204 -1.954 3.075 1.00 0.00 C ATOM 765 C GLU A 52 -12.552 -1.593 4.412 1.00 0.00 C ATOM 766 O GLU A 52 -11.819 -0.603 4.479 1.00 0.00 O ATOM 767 CB GLU A 52 -14.673 -1.473 3.034 1.00 0.00 C ATOM 768 CG GLU A 52 -15.659 -2.262 2.151 1.00 0.00 C ATOM 769 CD GLU A 52 -16.105 -3.556 2.837 1.00 0.00 C ATOM 770 OE1 GLU A 52 -16.942 -3.473 3.769 1.00 0.00 O ATOM 771 OE2 GLU A 52 -15.511 -4.619 2.537 1.00 0.00 O ATOM 0 H GLU A 52 -13.916 -3.741 2.320 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.658 -1.414 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.057 -1.479 4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -14.677 -0.436 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -16.530 -1.644 1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.188 -2.497 1.197 1.00 0.00 H new ATOM 778 N GLN A 53 -12.726 -2.425 5.447 1.00 0.00 N ATOM 779 CA GLN A 53 -12.181 -2.191 6.780 1.00 0.00 C ATOM 780 C GLN A 53 -10.671 -1.961 6.738 1.00 0.00 C ATOM 781 O GLN A 53 -10.181 -0.970 7.278 1.00 0.00 O ATOM 782 CB GLN A 53 -12.576 -3.326 7.751 1.00 0.00 C ATOM 783 CG GLN A 53 -12.262 -4.783 7.342 1.00 0.00 C ATOM 784 CD GLN A 53 -12.543 -5.790 8.468 1.00 0.00 C ATOM 785 OE1 GLN A 53 -12.668 -5.432 9.637 1.00 0.00 O ATOM 786 NE2 GLN A 53 -12.600 -7.077 8.166 1.00 0.00 N ATOM 0 H GLN A 53 -13.259 -3.292 5.375 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.624 -1.273 7.166 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.083 -3.135 8.704 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.649 -3.254 7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.857 -5.047 6.468 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.215 -4.856 7.048 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -12.497 -7.379 7.197 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.747 -7.768 8.902 1.00 0.00 H new ATOM 795 N PHE A 54 -9.935 -2.840 6.067 1.00 0.00 N ATOM 796 CA PHE A 54 -8.492 -2.745 5.951 1.00 0.00 C ATOM 797 C PHE A 54 -8.092 -1.873 4.760 1.00 0.00 C ATOM 798 O PHE A 54 -7.181 -1.058 4.880 1.00 0.00 O ATOM 799 CB PHE A 54 -7.929 -4.155 5.866 1.00 0.00 C ATOM 800 CG PHE A 54 -6.545 -4.193 5.281 1.00 0.00 C ATOM 801 CD1 PHE A 54 -6.396 -4.611 3.951 1.00 0.00 C ATOM 802 CD2 PHE A 54 -5.441 -3.728 6.018 1.00 0.00 C ATOM 803 CE1 PHE A 54 -5.123 -4.612 3.362 1.00 0.00 C ATOM 804 CE2 PHE A 54 -4.173 -3.704 5.419 1.00 0.00 C ATOM 805 CZ PHE A 54 -4.018 -4.152 4.096 1.00 0.00 C ATOM 0 H PHE A 54 -10.332 -3.646 5.584 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.070 -2.254 6.828 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.910 -4.595 6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -8.593 -4.771 5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.257 -4.931 3.383 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.569 -3.392 7.037 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.994 -4.965 2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.319 -3.343 5.972 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.039 -4.142 3.639 1.00 0.00 H new ATOM 815 N ARG A 55 -8.785 -1.995 3.625 1.00 0.00 N ATOM 816 CA ARG A 55 -8.571 -1.238 2.394 1.00 0.00 C ATOM 817 C ARG A 55 -8.473 0.252 2.700 1.00 0.00 C ATOM 818 O ARG A 55 -7.635 0.951 2.137 1.00 0.00 O ATOM 819 CB ARG A 55 -9.734 -1.558 1.446 1.00 0.00 C ATOM 820 CG ARG A 55 -9.571 -0.996 0.032 1.00 0.00 C ATOM 821 CD ARG A 55 -10.192 0.387 -0.176 1.00 0.00 C ATOM 822 NE ARG A 55 -11.667 0.363 -0.112 1.00 0.00 N ATOM 823 CZ ARG A 55 -12.460 1.211 0.558 1.00 0.00 C ATOM 824 NH1 ARG A 55 -11.941 2.208 1.270 1.00 0.00 N ATOM 825 NH2 ARG A 55 -13.772 1.051 0.509 1.00 0.00 N ATOM 0 H ARG A 55 -9.552 -2.662 3.538 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.631 -1.518 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.848 -2.640 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.655 -1.165 1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.508 -0.942 -0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.020 -1.692 -0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.810 1.070 0.583 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.880 0.779 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.133 -0.379 -0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.930 2.333 1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.555 2.847 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.173 0.287 -0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.383 1.691 1.016 1.00 0.00 H new ATOM 839 N HIS A 56 -9.329 0.749 3.586 1.00 0.00 N ATOM 840 CA HIS A 56 -9.312 2.143 3.971 1.00 0.00 C ATOM 841 C HIS A 56 -7.989 2.510 4.650 1.00 0.00 C ATOM 842 O HIS A 56 -7.500 3.607 4.425 1.00 0.00 O ATOM 843 CB HIS A 56 -10.490 2.387 4.915 1.00 0.00 C ATOM 844 CG HIS A 56 -10.469 3.737 5.572 1.00 0.00 C ATOM 845 ND1 HIS A 56 -10.817 4.929 4.983 1.00 0.00 N ATOM 846 CD2 HIS A 56 -10.095 3.996 6.862 1.00 0.00 C ATOM 847 CE1 HIS A 56 -10.671 5.896 5.899 1.00 0.00 C ATOM 848 NE2 HIS A 56 -10.262 5.368 7.071 1.00 0.00 N ATOM 0 H HIS A 56 -10.048 0.195 4.052 1.00 0.00 H new ATOM 0 HA HIS A 56 -9.403 2.772 3.086 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.420 2.279 4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.491 1.617 5.687 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -11.130 5.055 4.021 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.738 3.276 7.583 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -10.854 6.946 5.724 1.00 0.00 H new ATOM 856 N ALA A 57 -7.407 1.633 5.473 1.00 0.00 N ATOM 857 CA ALA A 57 -6.167 1.892 6.190 1.00 0.00 C ATOM 858 C ALA A 57 -4.973 1.980 5.246 1.00 0.00 C ATOM 859 O ALA A 57 -4.138 2.865 5.397 1.00 0.00 O ATOM 860 CB ALA A 57 -5.953 0.808 7.245 1.00 0.00 C ATOM 0 H ALA A 57 -7.796 0.708 5.659 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.250 2.861 6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.025 1.001 7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.787 0.814 7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.895 -0.166 6.759 1.00 0.00 H new ATOM 866 N ILE A 58 -4.843 1.058 4.286 1.00 0.00 N ATOM 867 CA ILE A 58 -3.737 1.093 3.334 1.00 0.00 C ATOM 868 C ILE A 58 -3.814 2.386 2.521 1.00 0.00 C ATOM 869 O ILE A 58 -2.815 3.100 2.396 1.00 0.00 O ATOM 870 CB ILE A 58 -3.711 -0.185 2.446 1.00 0.00 C ATOM 871 CG1 ILE A 58 -2.828 0.039 1.194 1.00 0.00 C ATOM 872 CG2 ILE A 58 -5.083 -0.722 2.023 1.00 0.00 C ATOM 873 CD1 ILE A 58 -2.684 -1.146 0.229 1.00 0.00 C ATOM 0 H ILE A 58 -5.490 0.282 4.151 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.789 1.093 3.873 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.284 -0.955 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.235 0.883 0.637 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.832 0.328 1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.951 -1.612 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.664 -0.976 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.611 0.040 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.042 -0.861 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.241 -1.992 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.666 -1.428 -0.150 1.00 0.00 H new ATOM 885 N TRP A 59 -5.004 2.654 1.984 1.00 0.00 N ATOM 886 CA TRP A 59 -5.242 3.813 1.150 1.00 0.00 C ATOM 887 C TRP A 59 -4.986 5.097 1.920 1.00 0.00 C ATOM 888 O TRP A 59 -4.146 5.899 1.523 1.00 0.00 O ATOM 889 CB TRP A 59 -6.637 3.743 0.515 1.00 0.00 C ATOM 890 CG TRP A 59 -6.685 4.431 -0.806 1.00 0.00 C ATOM 891 CD1 TRP A 59 -6.055 3.997 -1.914 1.00 0.00 C ATOM 892 CD2 TRP A 59 -7.226 5.734 -1.152 1.00 0.00 C ATOM 893 NE1 TRP A 59 -6.157 4.935 -2.917 1.00 0.00 N ATOM 894 CE2 TRP A 59 -6.859 6.043 -2.493 1.00 0.00 C ATOM 895 CE3 TRP A 59 -7.931 6.712 -0.434 1.00 0.00 C ATOM 896 CZ2 TRP A 59 -7.171 7.275 -3.083 1.00 0.00 C ATOM 897 CZ3 TRP A 59 -8.270 7.947 -1.019 1.00 0.00 C ATOM 898 CH2 TRP A 59 -7.873 8.237 -2.337 1.00 0.00 C ATOM 0 H TRP A 59 -5.827 2.067 2.120 1.00 0.00 H new ATOM 0 HA TRP A 59 -4.531 3.814 0.324 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.927 2.700 0.391 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -7.364 4.198 1.187 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.544 3.050 -2.003 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.764 4.824 -3.852 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.219 6.513 0.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -6.875 7.483 -4.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.836 8.673 -0.455 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -8.107 9.196 -2.774 1.00 0.00 H new ATOM 909 N LYS A 60 -5.672 5.281 3.046 1.00 0.00 N ATOM 910 CA LYS A 60 -5.518 6.458 3.879 1.00 0.00 C ATOM 911 C LYS A 60 -4.070 6.617 4.316 1.00 0.00 C ATOM 912 O LYS A 60 -3.552 7.720 4.225 1.00 0.00 O ATOM 913 CB LYS A 60 -6.448 6.331 5.090 1.00 0.00 C ATOM 914 CG LYS A 60 -6.391 7.541 6.029 1.00 0.00 C ATOM 915 CD LYS A 60 -7.409 7.420 7.167 1.00 0.00 C ATOM 916 CE LYS A 60 -7.085 6.235 8.087 1.00 0.00 C ATOM 917 NZ LYS A 60 -8.182 5.941 9.027 1.00 0.00 N ATOM 0 H LYS A 60 -6.353 4.610 3.403 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.787 7.349 3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.472 6.199 4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.184 5.433 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.388 7.632 6.446 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.585 8.452 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.418 8.342 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.409 7.296 6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.882 5.352 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.176 6.452 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.925 5.123 9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.348 6.768 9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.048 5.724 8.493 1.00 0.00 H new ATOM 931 N GLY A 61 -3.409 5.544 4.755 1.00 0.00 N ATOM 932 CA GLY A 61 -2.035 5.591 5.222 1.00 0.00 C ATOM 933 C GLY A 61 -1.099 6.206 4.197 1.00 0.00 C ATOM 934 O GLY A 61 -0.322 7.107 4.524 1.00 0.00 O ATOM 0 H GLY A 61 -3.822 4.612 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.987 6.167 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.699 4.581 5.458 1.00 0.00 H new ATOM 938 N ILE A 62 -1.165 5.721 2.957 1.00 0.00 N ATOM 939 CA ILE A 62 -0.297 6.219 1.897 1.00 0.00 C ATOM 940 C ILE A 62 -0.733 7.587 1.399 1.00 0.00 C ATOM 941 O ILE A 62 0.125 8.436 1.172 1.00 0.00 O ATOM 942 CB ILE A 62 -0.167 5.144 0.813 1.00 0.00 C ATOM 943 CG1 ILE A 62 1.248 5.057 0.199 1.00 0.00 C ATOM 944 CG2 ILE A 62 -1.253 5.117 -0.270 1.00 0.00 C ATOM 945 CD1 ILE A 62 1.754 6.321 -0.500 1.00 0.00 C ATOM 0 H ILE A 62 -1.809 4.986 2.665 1.00 0.00 H new ATOM 0 HA ILE A 62 0.706 6.399 2.284 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.345 4.235 1.387 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.951 4.797 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.261 4.238 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.044 4.312 -0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.225 4.951 0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.262 6.069 -0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.756 6.144 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.083 6.576 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.784 7.144 0.214 1.00 0.00 H new ATOM 957 N LEU A 63 -2.039 7.833 1.263 1.00 0.00 N ATOM 958 CA LEU A 63 -2.485 9.145 0.798 1.00 0.00 C ATOM 959 C LEU A 63 -2.080 10.200 1.827 1.00 0.00 C ATOM 960 O LEU A 63 -1.790 11.340 1.473 1.00 0.00 O ATOM 961 CB LEU A 63 -4.003 9.175 0.538 1.00 0.00 C ATOM 962 CG LEU A 63 -4.417 8.918 -0.926 1.00 0.00 C ATOM 963 CD1 LEU A 63 -3.964 10.045 -1.860 1.00 0.00 C ATOM 964 CD2 LEU A 63 -3.917 7.583 -1.486 1.00 0.00 C ATOM 0 H LEU A 63 -2.783 7.164 1.461 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.004 9.363 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.480 8.427 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.390 10.147 0.844 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.506 8.881 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.277 9.821 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.414 10.985 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.878 10.132 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.248 7.475 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.828 7.558 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.319 6.765 -0.889 1.00 0.00 H new ATOM 976 N ASP A 64 -2.100 9.834 3.108 1.00 0.00 N ATOM 977 CA ASP A 64 -1.718 10.761 4.178 1.00 0.00 C ATOM 978 C ASP A 64 -0.196 10.942 4.175 1.00 0.00 C ATOM 979 O ASP A 64 0.299 12.033 4.447 1.00 0.00 O ATOM 980 CB ASP A 64 -2.255 10.338 5.558 1.00 0.00 C ATOM 981 CG ASP A 64 -3.670 10.876 5.834 1.00 0.00 C ATOM 982 OD1 ASP A 64 -4.695 10.233 5.502 1.00 0.00 O ATOM 983 OD2 ASP A 64 -3.803 11.955 6.457 1.00 0.00 O ATOM 0 H ASP A 64 -2.375 8.907 3.432 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.187 11.724 3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.265 9.250 5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.577 10.696 6.333 1.00 0.00 H new ATOM 988 N HIS A 65 0.548 9.877 3.858 1.00 0.00 N ATOM 989 CA HIS A 65 2.005 9.882 3.813 1.00 0.00 C ATOM 990 C HIS A 65 2.436 10.858 2.737 1.00 0.00 C ATOM 991 O HIS A 65 3.156 11.804 3.028 1.00 0.00 O ATOM 992 CB HIS A 65 2.577 8.481 3.528 1.00 0.00 C ATOM 993 CG HIS A 65 4.076 8.457 3.332 1.00 0.00 C ATOM 994 ND1 HIS A 65 5.007 9.080 4.132 1.00 0.00 N ATOM 995 CD2 HIS A 65 4.750 7.846 2.309 1.00 0.00 C ATOM 996 CE1 HIS A 65 6.222 8.849 3.607 1.00 0.00 C ATOM 997 NE2 HIS A 65 6.120 8.053 2.526 1.00 0.00 N ATOM 0 H HIS A 65 0.141 8.972 3.622 1.00 0.00 H new ATOM 0 HA HIS A 65 2.392 10.185 4.786 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.318 7.819 4.355 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.098 8.079 2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.308 7.304 1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 65 7.148 9.245 3.996 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.889 7.674 1.973 1.00 0.00 H new ATOM 1005 N ARG A 66 1.971 10.655 1.502 1.00 0.00 N ATOM 1006 CA ARG A 66 2.317 11.539 0.398 1.00 0.00 C ATOM 1007 C ARG A 66 1.773 12.940 0.646 1.00 0.00 C ATOM 1008 O ARG A 66 2.368 13.903 0.175 1.00 0.00 O ATOM 1009 CB ARG A 66 1.862 10.949 -0.945 1.00 0.00 C ATOM 1010 CG ARG A 66 0.340 10.816 -1.081 1.00 0.00 C ATOM 1011 CD ARG A 66 -0.360 12.007 -1.746 1.00 0.00 C ATOM 1012 NE ARG A 66 -0.319 11.907 -3.213 1.00 0.00 N ATOM 1013 CZ ARG A 66 -1.257 12.348 -4.058 1.00 0.00 C ATOM 1014 NH1 ARG A 66 -2.261 13.107 -3.624 1.00 0.00 N ATOM 1015 NH2 ARG A 66 -1.199 12.018 -5.338 1.00 0.00 N ATOM 0 H ARG A 66 1.354 9.884 1.246 1.00 0.00 H new ATOM 0 HA ARG A 66 3.402 11.626 0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.236 11.579 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.316 9.966 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.119 9.917 -1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.087 10.672 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.397 12.053 -1.412 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.118 12.934 -1.430 1.00 0.00 H new ATOM 0 HE ARG A 66 0.501 11.460 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.321 13.358 -2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.970 13.437 -4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.440 11.428 -5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.914 12.353 -5.984 1.00 0.00 H new ATOM 1029 N GLN A 67 0.644 13.084 1.359 1.00 0.00 N ATOM 1030 CA GLN A 67 0.126 14.418 1.621 1.00 0.00 C ATOM 1031 C GLN A 67 1.089 15.167 2.555 1.00 0.00 C ATOM 1032 O GLN A 67 1.222 16.384 2.427 1.00 0.00 O ATOM 1033 CB GLN A 67 -1.291 14.298 2.202 1.00 0.00 C ATOM 1034 CG GLN A 67 -1.907 15.597 2.723 1.00 0.00 C ATOM 1035 CD GLN A 67 -2.187 16.623 1.625 1.00 0.00 C ATOM 1036 OE1 GLN A 67 -3.230 16.589 0.978 1.00 0.00 O ATOM 1037 NE2 GLN A 67 -1.282 17.555 1.384 1.00 0.00 N ATOM 0 H GLN A 67 0.096 12.317 1.748 1.00 0.00 H new ATOM 0 HA GLN A 67 0.057 14.998 0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.946 13.890 1.432 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.269 13.575 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.839 15.366 3.240 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.235 16.039 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.417 17.578 1.925 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.448 18.251 0.657 1.00 0.00 H new ATOM 1046 N LEU A 68 1.785 14.471 3.460 1.00 0.00 N ATOM 1047 CA LEU A 68 2.708 15.084 4.411 1.00 0.00 C ATOM 1048 C LEU A 68 4.187 15.042 3.995 1.00 0.00 C ATOM 1049 O LEU A 68 4.965 15.855 4.500 1.00 0.00 O ATOM 1050 CB LEU A 68 2.499 14.419 5.778 1.00 0.00 C ATOM 1051 CG LEU A 68 1.077 14.593 6.357 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.940 13.736 7.615 1.00 0.00 C ATOM 1053 CD2 LEU A 68 0.747 16.044 6.722 1.00 0.00 C ATOM 0 H LEU A 68 1.720 13.457 3.551 1.00 0.00 H new ATOM 0 HA LEU A 68 2.474 16.148 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.715 13.354 5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.220 14.832 6.484 1.00 0.00 H new ATOM 0 HG LEU A 68 0.380 14.283 5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.062 13.854 8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.107 12.689 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.677 14.053 8.353 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.265 16.097 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.453 16.400 7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.818 16.668 5.831 1.00 0.00 H new ATOM 1065 N HIS A 69 4.596 14.171 3.074 1.00 0.00 N ATOM 1066 CA HIS A 69 5.941 14.001 2.565 1.00 0.00 C ATOM 1067 C HIS A 69 5.855 14.139 1.046 1.00 0.00 C ATOM 1068 O HIS A 69 5.519 13.183 0.344 1.00 0.00 O ATOM 1069 CB HIS A 69 6.485 12.635 2.999 1.00 0.00 C ATOM 1070 CG HIS A 69 7.264 12.648 4.292 1.00 0.00 C ATOM 1071 ND1 HIS A 69 6.888 12.057 5.478 1.00 0.00 N ATOM 1072 CD2 HIS A 69 8.515 13.177 4.472 1.00 0.00 C ATOM 1073 CE1 HIS A 69 7.899 12.220 6.347 1.00 0.00 C ATOM 1074 NE2 HIS A 69 8.908 12.907 5.787 1.00 0.00 N ATOM 0 H HIS A 69 3.942 13.522 2.637 1.00 0.00 H new ATOM 0 HA HIS A 69 6.630 14.748 2.958 1.00 0.00 H new ATOM 0 HB2 HIS A 69 5.650 11.942 3.101 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.127 12.247 2.208 1.00 0.00 H new ATOM 0 HD2 HIS A 69 9.094 13.708 3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.900 11.848 7.361 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.785 13.178 6.232 1.00 0.00 H new ATOM 1082 N ASP A 70 6.124 15.354 0.567 1.00 0.00 N ATOM 1083 CA ASP A 70 6.100 15.738 -0.841 1.00 0.00 C ATOM 1084 C ASP A 70 7.042 14.886 -1.672 1.00 0.00 C ATOM 1085 O ASP A 70 6.670 14.544 -2.812 1.00 0.00 O ATOM 1086 CB ASP A 70 6.483 17.216 -0.995 1.00 0.00 C ATOM 1087 CG ASP A 70 5.293 18.145 -1.140 1.00 0.00 C ATOM 1088 OD1 ASP A 70 5.166 19.074 -0.308 1.00 0.00 O ATOM 1089 OD2 ASP A 70 4.511 18.017 -2.110 1.00 0.00 O ATOM 0 H ASP A 70 6.376 16.130 1.179 1.00 0.00 H new ATOM 0 HA ASP A 70 5.085 15.579 -1.204 1.00 0.00 H new ATOM 0 HB2 ASP A 70 7.068 17.522 -0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.126 17.326 -1.868 1.00 0.00 H new TER 1094 ASP A 70