USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1188 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 120 HIS : no HE2:sc= -2.49 K(o=-2.6,f=-3.2!) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.197 K(o=-2.6,f=-5.2) USER MOD Set 1.3: A 130 HIS :FLIP no HD1:sc= -0.257 F(o=-3.1,f=-2.6) USER MOD Set 2.1: A 69 HIS :FLIP no HD1:sc= -3.99 F(o=-5.2!,f=-4.1) USER MOD Set 2.2: A 84 HIS : no HD1:sc= -0.0997 K(o=-4.1,f=-8.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 23:sc= 0.323 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0855 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.697 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -180:sc= 1.89 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.355 USER MOD Single : A 28 HIS : no HE2:sc= -0.588 K(o=-0.59,f=-3.8!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 85:sc= 0.00577 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.0846 K(o=0.085,f=-1.4) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 90 THR OG1 : rot 52:sc= 0.0807 USER MOD Single : A 97 HIS : +bothHN:sc= -0.145 K(o=-0.14,f=-1.6) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.935 K(o=-0.93,f=-7.9!) USER MOD Single : A 116 TYR OH : rot -16:sc= 1.28 USER MOD Single : A 119 THR OG1 : rot 85:sc= 0.122 USER MOD Single : A 125 SER OG : rot -49:sc= 0.805 USER MOD Single : A 128 MET CE :methyl -177:sc= 0 (180deg=-0.0176) USER MOD Single : A 131 SER OG : rot 100:sc= 0.0801 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 138 MET CE :methyl 180:sc= -0.388 (180deg=-0.388) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 180:sc= -0.015 USER MOD Single : A 144 ASN : amide:sc=-0.00232 K(o=-0.0023,f=-0.74) USER MOD Single : A 148 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.6!) USER MOD Single : A 149 ASN : amide:sc= 0.409 K(o=0.41,f=-0.68) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc=-0.00472 X(o=-0.0047,f=0) USER MOD Single : A 162 LYS NZ :NH3+ -164:sc= 0.151 (180deg=-0.165) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -13.106 -0.415 7.078 1.00 -0.66 N ATOM 110 CA PRO A 8 -11.966 -1.117 6.481 1.00 0.36 C ATOM 111 C PRO A 8 -12.148 -1.517 4.993 1.00 0.57 C ATOM 112 O PRO A 8 -11.653 -2.547 4.550 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.684 -2.300 7.420 1.00 0.00 C ATOM 114 CG PRO A 8 -12.949 -2.524 8.237 1.00 0.00 C ATOM 115 CD PRO A 8 -13.726 -1.216 8.129 1.00 0.30 C ATOM 0 HA PRO A 8 -11.105 -0.453 6.409 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.428 -3.193 6.850 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.837 -2.084 8.071 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.528 -3.360 7.846 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.712 -2.758 9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.772 -1.411 7.894 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -13.707 -0.681 9.078 1.00 0.30 H new ATOM 123 N LYS A 9 -12.901 -0.741 4.208 1.00 -0.73 N ATOM 124 CA LYS A 9 -13.259 -1.017 2.821 1.00 0.36 C ATOM 125 C LYS A 9 -13.738 0.260 2.117 1.00 0.57 C ATOM 126 O LYS A 9 -14.616 0.182 1.257 1.00 -0.57 O ATOM 127 CB LYS A 9 -14.312 -2.149 2.753 1.00 0.00 C ATOM 128 CG LYS A 9 -15.636 -1.849 3.485 1.00 0.00 C ATOM 129 CD LYS A 9 -15.677 -2.431 4.905 1.00 0.00 C ATOM 130 CE LYS A 9 -17.004 -2.085 5.582 1.00 0.50 C ATOM 131 NZ LYS A 9 -18.088 -2.973 5.110 1.00 -0.85 N ATOM 0 H LYS A 9 -13.295 0.139 4.542 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.372 -1.361 2.289 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -14.532 -2.358 1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.878 -3.055 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.781 -0.770 3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.466 -2.256 2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.552 -3.513 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.848 -2.036 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.899 -2.176 6.663 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -17.263 -1.047 5.373 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -18.977 -2.717 5.584 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -18.201 -2.866 4.082 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -17.849 -3.961 5.331 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.223 1.434 2.502 1.00 -0.73 N ATOM 146 CA TRP A 10 -13.774 2.728 2.096 1.00 0.36 C ATOM 147 C TRP A 10 -15.277 2.793 2.385 1.00 0.57 C ATOM 148 O TRP A 10 -15.663 2.798 3.548 1.00 -0.57 O ATOM 149 CB TRP A 10 -13.408 3.028 0.632 1.00 0.18 C ATOM 150 CG TRP A 10 -11.964 3.272 0.418 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.020 2.339 0.185 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.271 4.542 0.521 1.00 0.00 C ATOM 153 NE1 TRP A 10 -9.789 2.948 0.098 1.00 0.03 N ATOM 154 CE2 TRP A 10 -9.888 4.308 0.288 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -11.673 5.854 0.852 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -8.946 5.335 0.350 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -10.732 6.892 0.930 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -9.381 6.631 0.655 1.00 -0.15 C ATOM 0 H TRP A 10 -12.406 1.511 3.108 1.00 -0.73 H new ATOM 0 HA TRP A 10 -13.324 3.522 2.692 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -13.722 2.190 0.009 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -13.968 3.901 0.298 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.201 1.279 0.083 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -8.915 2.455 -0.084 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -12.715 6.061 1.047 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -7.901 5.135 0.166 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -11.047 7.889 1.201 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -8.667 7.441 0.679 1.00 -0.15 H new ATOM 169 N THR A 11 -16.109 2.819 1.341 1.00 -0.73 N ATOM 170 CA THR A 11 -17.566 2.839 1.416 1.00 0.36 C ATOM 171 C THR A 11 -18.127 2.239 0.119 1.00 0.57 C ATOM 172 O THR A 11 -19.095 1.480 0.174 1.00 -0.57 O ATOM 173 CB THR A 11 -18.060 4.290 1.634 1.00 0.28 C ATOM 174 OG1 THR A 11 -17.912 4.687 2.983 1.00 -0.68 O ATOM 175 CG2 THR A 11 -19.541 4.495 1.304 1.00 0.00 C ATOM 0 H THR A 11 -15.767 2.827 0.380 1.00 -0.73 H new ATOM 0 HA THR A 11 -17.917 2.244 2.259 1.00 0.36 H new ATOM 0 HB THR A 11 -17.444 4.882 0.957 1.00 0.28 H new ATOM 0 HG1 THR A 11 -17.223 4.138 3.412 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.813 5.536 1.481 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.718 4.247 0.257 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.148 3.848 1.938 1.00 0.00 H new ATOM 183 N SER A 12 -17.533 2.567 -1.038 1.00 -0.73 N ATOM 184 CA SER A 12 -17.933 2.019 -2.325 1.00 0.36 C ATOM 185 C SER A 12 -17.037 0.827 -2.674 1.00 0.57 C ATOM 186 O SER A 12 -15.871 0.768 -2.281 1.00 -0.57 O ATOM 187 CB SER A 12 -17.863 3.129 -3.383 1.00 0.28 C ATOM 188 OG SER A 12 -18.143 2.617 -4.669 1.00 -0.68 O ATOM 0 H SER A 12 -16.757 3.226 -1.098 1.00 -0.73 H new ATOM 0 HA SER A 12 -18.960 1.655 -2.288 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.576 3.916 -3.138 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.872 3.582 -3.375 1.00 0.28 H new ATOM 0 HG SER A 12 -18.094 3.341 -5.327 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.580 -0.096 -3.484 1.00 -0.73 N ATOM 195 CA LYS A 13 -16.831 -1.202 -4.082 1.00 0.36 C ATOM 196 C LYS A 13 -15.746 -0.723 -5.057 1.00 0.57 C ATOM 197 O LYS A 13 -14.960 -1.532 -5.550 1.00 -0.57 O ATOM 198 CB LYS A 13 -17.796 -2.164 -4.801 1.00 0.00 C ATOM 199 CG LYS A 13 -18.357 -1.595 -6.128 1.00 0.00 C ATOM 200 CD LYS A 13 -18.044 -2.507 -7.324 1.00 0.00 C ATOM 201 CE LYS A 13 -18.070 -1.714 -8.634 1.00 0.50 C ATOM 202 NZ LYS A 13 -17.924 -2.599 -9.806 1.00 -0.85 N ATOM 0 H LYS A 13 -18.567 -0.091 -3.743 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.325 -1.722 -3.269 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.278 -3.101 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.626 -2.399 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -19.436 -1.469 -6.041 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -17.934 -0.606 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.064 -2.966 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.772 -3.317 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.007 -1.163 -8.708 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -17.266 -0.978 -8.631 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -17.946 -2.029 -10.676 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -17.018 -3.107 -9.747 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -18.705 -3.286 -9.822 1.00 -0.85 H new ATOM 216 N VAL A 14 -15.735 0.563 -5.403 1.00 -0.73 N ATOM 217 CA VAL A 14 -14.724 1.149 -6.253 1.00 0.36 C ATOM 218 C VAL A 14 -14.194 2.373 -5.529 1.00 0.57 C ATOM 219 O VAL A 14 -14.932 3.055 -4.818 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.287 1.431 -7.661 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.302 2.583 -7.703 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.158 1.698 -8.663 1.00 0.00 C ATOM 0 H VAL A 14 -16.442 1.229 -5.092 1.00 -0.73 H new ATOM 0 HA VAL A 14 -13.891 0.469 -6.431 1.00 0.36 H new ATOM 0 HB VAL A 14 -15.825 0.526 -7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -16.653 2.722 -8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.148 2.346 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -15.826 3.500 -7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.584 1.894 -9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.581 2.564 -8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.506 0.827 -8.717 1.00 0.00 H new ATOM 232 N VAL A 15 -12.913 2.651 -5.736 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.220 3.754 -5.097 1.00 0.36 C ATOM 234 C VAL A 15 -11.555 4.573 -6.197 1.00 0.57 C ATOM 235 O VAL A 15 -11.373 4.089 -7.319 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.210 3.200 -4.070 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.695 4.313 -3.161 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.810 2.119 -3.167 1.00 0.00 C ATOM 0 H VAL A 15 -12.321 2.106 -6.363 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.902 4.401 -4.545 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.404 2.766 -4.661 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.985 3.899 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.201 5.075 -3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.531 4.761 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.052 1.768 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.652 2.534 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.153 1.284 -3.778 1.00 0.00 H new ATOM 248 N THR A 16 -11.187 5.812 -5.898 1.00 -0.73 N ATOM 249 CA THR A 16 -10.548 6.674 -6.869 1.00 0.36 C ATOM 250 C THR A 16 -9.075 6.800 -6.475 1.00 0.57 C ATOM 251 O THR A 16 -8.766 6.918 -5.293 1.00 -0.57 O ATOM 252 CB THR A 16 -11.347 7.988 -7.008 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.272 8.826 -5.879 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.840 7.705 -7.241 1.00 0.00 C ATOM 0 H THR A 16 -11.324 6.240 -4.982 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.553 6.267 -7.880 1.00 0.36 H new ATOM 0 HB THR A 16 -10.887 8.493 -7.858 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.798 9.637 -6.038 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -13.379 8.648 -7.335 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.962 7.124 -8.155 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.239 7.142 -6.398 1.00 0.00 H new ATOM 262 N TYR A 17 -8.143 6.773 -7.428 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.723 6.961 -7.139 1.00 0.36 C ATOM 264 C TYR A 17 -6.170 8.079 -8.009 1.00 0.57 C ATOM 265 O TYR A 17 -6.668 8.316 -9.114 1.00 -0.57 O ATOM 266 CB TYR A 17 -5.937 5.650 -7.308 1.00 0.14 C ATOM 267 CG TYR A 17 -5.753 5.196 -8.746 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -6.731 4.392 -9.357 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -4.615 5.588 -9.478 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -6.592 4.001 -10.701 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -4.456 5.185 -10.817 1.00 -0.15 C ATOM 272 CZ TYR A 17 -5.452 4.393 -11.438 1.00 0.08 C ATOM 273 OH TYR A 17 -5.334 4.013 -12.744 1.00 -0.53 O ATOM 0 H TYR A 17 -8.350 6.621 -8.415 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.608 7.253 -6.095 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.954 5.771 -6.852 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.450 4.862 -6.756 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -7.594 4.073 -8.791 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -3.860 6.201 -9.009 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -7.357 3.401 -11.170 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -3.576 5.479 -11.370 1.00 -0.15 H new ATOM 0 HH TYR A 17 -4.496 4.362 -13.112 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.136 8.771 -7.516 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.463 9.800 -8.301 1.00 0.36 C ATOM 285 C ARG A 18 -3.029 9.948 -7.832 1.00 0.57 C ATOM 286 O ARG A 18 -2.768 10.282 -6.677 1.00 -0.57 O ATOM 287 CB ARG A 18 -5.235 11.126 -8.227 1.00 0.00 C ATOM 288 CG ARG A 18 -4.868 12.047 -9.394 1.00 0.00 C ATOM 289 CD ARG A 18 -5.938 13.126 -9.593 1.00 0.33 C ATOM 290 NE ARG A 18 -5.776 13.755 -10.912 1.00 -0.84 N ATOM 291 CZ ARG A 18 -6.292 14.923 -11.311 1.00 1.20 C ATOM 292 NH1 ARG A 18 -6.978 15.708 -10.479 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -6.111 15.315 -12.569 1.00 -0.97 N ATOM 0 H ARG A 18 -4.752 8.634 -6.581 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.442 9.501 -9.349 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -6.307 10.927 -8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.015 11.625 -7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.903 12.516 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.762 11.461 -10.307 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.931 12.685 -9.510 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -5.858 13.879 -8.809 1.00 0.33 H new ATOM 0 HE ARG A 18 -5.211 13.248 -11.594 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -7.121 15.423 -9.510 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -7.360 16.593 -10.812 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -5.585 14.727 -13.216 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -6.499 16.203 -12.887 1.00 -0.97 H new ATOM 307 N ILE A 19 -2.093 9.679 -8.737 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.679 9.812 -8.461 1.00 0.36 C ATOM 309 C ILE A 19 -0.335 11.300 -8.658 1.00 0.57 C ATOM 310 O ILE A 19 -0.018 11.721 -9.769 1.00 -0.57 O ATOM 311 CB ILE A 19 0.119 8.804 -9.320 1.00 0.00 C ATOM 312 CG1 ILE A 19 -0.245 7.336 -8.985 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.613 8.989 -9.054 1.00 0.00 C ATOM 314 CD1 ILE A 19 0.085 6.359 -10.118 1.00 0.00 C ATOM 0 H ILE A 19 -2.302 9.362 -9.684 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.401 9.552 -7.440 1.00 0.36 H new ATOM 0 HB ILE A 19 -0.131 8.997 -10.363 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.289 7.032 -8.085 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.310 7.275 -8.760 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.180 8.280 -9.657 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.906 10.006 -9.316 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.819 8.813 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.194 5.348 -9.820 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.470 6.639 -11.013 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.154 6.393 -10.328 1.00 0.00 H new ATOM 326 N VAL A 20 -0.507 12.113 -7.602 1.00 -0.73 N ATOM 327 CA VAL A 20 -0.279 13.565 -7.622 1.00 0.36 C ATOM 328 C VAL A 20 1.139 13.920 -8.060 1.00 0.57 C ATOM 329 O VAL A 20 1.318 14.777 -8.921 1.00 -0.57 O ATOM 330 CB VAL A 20 -0.560 14.224 -6.250 1.00 0.00 C ATOM 331 CG1 VAL A 20 -2.068 14.379 -6.038 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.072 13.510 -5.040 1.00 0.00 C ATOM 0 H VAL A 20 -0.815 11.770 -6.692 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.986 13.958 -8.353 1.00 0.36 H new ATOM 0 HB VAL A 20 -0.074 15.198 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.253 14.844 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.484 15.006 -6.827 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.542 13.398 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.182 14.048 -4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.309 12.491 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.155 13.486 -5.157 1.00 0.00 H new ATOM 342 N SER A 21 2.126 13.272 -7.441 1.00 -0.73 N ATOM 343 CA SER A 21 3.542 13.403 -7.731 1.00 0.36 C ATOM 344 C SER A 21 3.960 12.022 -8.207 1.00 0.57 C ATOM 345 O SER A 21 3.368 11.019 -7.808 1.00 -0.57 O ATOM 346 CB SER A 21 4.334 13.916 -6.499 1.00 0.28 C ATOM 347 OG SER A 21 5.386 13.049 -6.107 1.00 -0.68 O ATOM 0 H SER A 21 1.943 12.610 -6.687 1.00 -0.73 H new ATOM 0 HA SER A 21 3.755 14.152 -8.493 1.00 0.36 H new ATOM 0 HB2 SER A 21 4.748 14.899 -6.725 1.00 0.28 H new ATOM 0 HB3 SER A 21 3.647 14.044 -5.662 1.00 0.28 H new ATOM 0 HG SER A 21 5.847 13.425 -5.328 1.00 -0.68 H new ATOM 353 N TYR A 22 4.998 11.980 -9.030 1.00 -0.73 N ATOM 354 CA TYR A 22 5.578 10.764 -9.551 1.00 0.36 C ATOM 355 C TYR A 22 7.055 10.819 -9.207 1.00 0.57 C ATOM 356 O TYR A 22 7.641 11.903 -9.163 1.00 -0.57 O ATOM 357 CB TYR A 22 5.387 10.699 -11.070 1.00 0.14 C ATOM 358 CG TYR A 22 4.122 10.001 -11.532 1.00 -0.14 C ATOM 359 CD1 TYR A 22 4.105 8.596 -11.639 1.00 -0.15 C ATOM 360 CD2 TYR A 22 2.979 10.742 -11.892 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.960 7.935 -12.121 1.00 -0.15 C ATOM 362 CE2 TYR A 22 1.833 10.089 -12.380 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.823 8.681 -12.511 1.00 0.08 C ATOM 364 OH TYR A 22 0.720 8.037 -12.997 1.00 -0.53 O ATOM 0 H TYR A 22 5.470 12.822 -9.360 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.105 9.880 -9.124 1.00 0.36 H new ATOM 0 HB2 TYR A 22 5.387 11.715 -11.464 1.00 0.14 H new ATOM 0 HB3 TYR A 22 6.245 10.188 -11.507 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.974 8.024 -11.350 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 2.983 11.817 -11.793 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 2.949 6.857 -12.193 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 0.960 10.663 -12.655 1.00 -0.15 H new ATOM 0 HH TYR A 22 0.028 8.695 -13.217 1.00 -0.53 H new ATOM 374 N THR A 23 7.627 9.632 -9.011 1.00 -0.73 N ATOM 375 CA THR A 23 9.052 9.403 -8.848 1.00 0.36 C ATOM 376 C THR A 23 9.820 9.740 -10.143 1.00 0.57 C ATOM 377 O THR A 23 9.339 10.458 -11.025 1.00 -0.57 O ATOM 378 CB THR A 23 9.242 7.946 -8.365 1.00 0.28 C ATOM 379 OG1 THR A 23 10.581 7.647 -8.006 1.00 -0.68 O ATOM 380 CG2 THR A 23 8.821 6.944 -9.440 1.00 0.00 C ATOM 0 H THR A 23 7.083 8.771 -8.960 1.00 -0.73 H new ATOM 0 HA THR A 23 9.476 10.069 -8.096 1.00 0.36 H new ATOM 0 HB THR A 23 8.609 7.858 -7.482 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.639 6.715 -7.708 1.00 -0.68 H new ATOM 0 HG21 THR A 23 8.967 5.930 -9.069 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.769 7.093 -9.685 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.426 7.094 -10.334 1.00 0.00 H new ATOM 388 N ARG A 24 11.028 9.184 -10.264 1.00 -0.73 N ATOM 389 CA ARG A 24 11.910 9.409 -11.397 1.00 0.36 C ATOM 390 C ARG A 24 12.797 8.216 -11.748 1.00 0.57 C ATOM 391 O ARG A 24 13.153 8.091 -12.918 1.00 -0.57 O ATOM 392 CB ARG A 24 12.775 10.636 -11.077 1.00 0.00 C ATOM 393 CG ARG A 24 12.807 11.583 -12.275 1.00 0.00 C ATOM 394 CD ARG A 24 13.587 12.849 -11.917 1.00 0.33 C ATOM 395 NE ARG A 24 12.748 13.816 -11.188 1.00 -0.84 N ATOM 396 CZ ARG A 24 13.003 15.127 -11.087 1.00 1.20 C ATOM 397 NH1 ARG A 24 14.159 15.627 -11.538 1.00 -0.97 N ATOM 398 NH2 ARG A 24 12.098 15.938 -10.532 1.00 -0.97 N ATOM 0 H ARG A 24 11.421 8.556 -9.563 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.286 9.567 -12.277 1.00 0.36 H new ATOM 0 HB2 ARG A 24 12.376 11.154 -10.205 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.788 10.321 -10.825 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.271 11.088 -13.128 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.791 11.843 -12.571 1.00 0.00 H new ATOM 0 HD2 ARG A 24 14.451 12.584 -11.308 1.00 0.33 H new ATOM 0 HD3 ARG A 24 13.969 13.311 -12.827 1.00 0.33 H new ATOM 0 HE ARG A 24 11.911 13.461 -10.726 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 14.851 15.009 -11.961 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 14.348 16.626 -11.459 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 11.216 15.558 -10.187 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 12.289 16.937 -10.453 1.00 -0.97 H new ATOM 412 N ASP A 25 13.157 7.382 -10.754 1.00 -0.73 N ATOM 413 CA ASP A 25 14.071 6.250 -10.927 1.00 0.36 C ATOM 414 C ASP A 25 13.616 5.352 -12.078 1.00 0.57 C ATOM 415 O ASP A 25 14.337 5.191 -13.068 1.00 -0.57 O ATOM 416 CB ASP A 25 14.184 5.448 -9.615 1.00 0.06 C ATOM 417 CG ASP A 25 15.326 4.416 -9.682 1.00 0.66 C ATOM 418 OD1 ASP A 25 15.313 3.551 -10.542 1.00 -0.57 O ATOM 419 OD2 ASP A 25 16.336 4.583 -8.833 1.00 -0.65 O ATOM 0 H ASP A 25 12.814 7.481 -9.799 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.057 6.639 -11.179 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.357 6.131 -8.783 1.00 0.06 H new ATOM 0 HB3 ASP A 25 13.242 4.937 -9.417 1.00 0.06 H new ATOM 425 N LEU A 26 12.376 4.860 -11.953 1.00 -0.73 N ATOM 426 CA LEU A 26 11.709 3.989 -12.909 1.00 0.36 C ATOM 427 C LEU A 26 10.632 4.790 -13.670 1.00 0.57 C ATOM 428 O LEU A 26 10.253 5.885 -13.240 1.00 -0.57 O ATOM 429 CB LEU A 26 11.179 2.726 -12.180 1.00 0.00 C ATOM 430 CG LEU A 26 9.771 2.816 -11.561 1.00 0.00 C ATOM 431 CD1 LEU A 26 9.419 1.534 -10.800 1.00 0.00 C ATOM 432 CD2 LEU A 26 9.664 3.965 -10.568 1.00 0.00 C ATOM 0 H LEU A 26 11.791 5.072 -11.145 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.404 3.626 -13.666 1.00 0.36 H new ATOM 0 HB2 LEU A 26 11.185 1.898 -12.889 1.00 0.00 H new ATOM 0 HB3 LEU A 26 11.882 2.472 -11.387 1.00 0.00 H new ATOM 0 HG LEU A 26 9.086 2.973 -12.395 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.420 1.626 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.445 0.686 -11.484 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.142 1.376 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.656 3.995 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.383 3.818 -9.763 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.875 4.906 -11.076 1.00 0.00 H new ATOM 444 N PRO A 27 10.121 4.280 -14.800 1.00 -0.66 N ATOM 445 CA PRO A 27 9.146 5.002 -15.604 1.00 0.36 C ATOM 446 C PRO A 27 7.728 4.940 -15.011 1.00 0.57 C ATOM 447 O PRO A 27 7.319 3.939 -14.417 1.00 -0.57 O ATOM 448 CB PRO A 27 9.229 4.360 -16.989 1.00 0.00 C ATOM 449 CG PRO A 27 9.861 2.981 -16.792 1.00 0.00 C ATOM 450 CD PRO A 27 10.516 3.026 -15.415 1.00 0.30 C ATOM 0 HA PRO A 27 9.366 6.069 -15.640 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.239 4.272 -17.436 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.830 4.969 -17.664 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.109 2.194 -16.843 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.596 2.771 -17.569 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.195 2.180 -14.807 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.601 2.963 -15.501 1.00 0.30 H new ATOM 458 N HIS A 28 6.938 5.995 -15.248 1.00 -0.73 N ATOM 459 CA HIS A 28 5.564 6.132 -14.747 1.00 0.36 C ATOM 460 C HIS A 28 4.645 5.021 -15.255 1.00 0.57 C ATOM 461 O HIS A 28 3.752 4.573 -14.537 1.00 -0.57 O ATOM 462 CB HIS A 28 4.955 7.479 -15.177 1.00 0.17 C ATOM 463 CG HIS A 28 5.910 8.640 -15.148 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.136 9.488 -14.094 1.00 -0.70 N ATOM 465 CD2 HIS A 28 6.754 9.017 -16.158 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.117 10.335 -14.450 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.545 10.076 -15.700 1.00 -0.70 N ATOM 0 H HIS A 28 7.242 6.794 -15.805 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.634 6.069 -13.661 1.00 0.36 H new ATOM 0 HB2 HIS A 28 4.560 7.377 -16.188 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.111 7.705 -14.526 1.00 0.17 H new ATOM 0 HD1 HIS A 28 5.647 9.478 -13.199 1.00 -0.70 H new ATOM 0 HD2 HIS A 28 6.801 8.572 -17.141 1.00 0.20 H new ATOM 0 HE1 HIS A 28 7.509 11.118 -13.818 1.00 0.65 H new ATOM 476 N ILE A 29 4.856 4.579 -16.499 1.00 -0.73 N ATOM 477 CA ILE A 29 4.120 3.463 -17.081 1.00 0.36 C ATOM 478 C ILE A 29 4.385 2.181 -16.287 1.00 0.57 C ATOM 479 O ILE A 29 3.454 1.422 -16.038 1.00 -0.57 O ATOM 480 CB ILE A 29 4.450 3.332 -18.585 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.643 2.187 -19.233 1.00 0.00 C ATOM 482 CG2 ILE A 29 5.955 3.162 -18.872 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.346 2.472 -20.710 1.00 0.00 C ATOM 0 H ILE A 29 5.545 4.990 -17.129 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.048 3.651 -17.014 1.00 0.36 H new ATOM 0 HB ILE A 29 4.154 4.278 -19.038 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.200 1.254 -19.147 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.706 2.050 -18.693 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.113 3.076 -19.947 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.498 4.028 -18.493 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.320 2.261 -18.379 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.777 1.644 -21.133 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.767 3.391 -20.794 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.284 2.583 -21.255 1.00 0.00 H new ATOM 495 N THR A 30 5.627 1.971 -15.836 1.00 -0.73 N ATOM 496 CA THR A 30 5.969 0.860 -14.970 1.00 0.36 C ATOM 497 C THR A 30 5.341 1.088 -13.592 1.00 0.57 C ATOM 498 O THR A 30 4.782 0.136 -13.068 1.00 -0.57 O ATOM 499 CB THR A 30 7.493 0.650 -14.950 1.00 0.28 C ATOM 500 OG1 THR A 30 7.909 -0.101 -16.080 1.00 -0.68 O ATOM 501 CG2 THR A 30 8.007 -0.129 -13.748 1.00 0.00 C ATOM 0 H THR A 30 6.417 2.573 -16.067 1.00 -0.73 H new ATOM 0 HA THR A 30 5.555 -0.075 -15.349 1.00 0.36 H new ATOM 0 HB THR A 30 7.896 1.663 -14.928 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.881 -0.223 -16.052 1.00 -0.68 H new ATOM 0 HG21 THR A 30 9.090 -0.230 -13.816 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.749 0.403 -12.832 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.551 -1.119 -13.734 1.00 0.00 H new ATOM 509 N VAL A 31 5.350 2.310 -13.030 1.00 -0.73 N ATOM 510 CA VAL A 31 4.661 2.599 -11.763 1.00 0.36 C ATOM 511 C VAL A 31 3.196 2.189 -11.862 1.00 0.57 C ATOM 512 O VAL A 31 2.746 1.400 -11.036 1.00 -0.57 O ATOM 513 CB VAL A 31 4.811 4.082 -11.353 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.837 4.548 -10.255 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.236 4.322 -10.861 1.00 0.00 C ATOM 0 H VAL A 31 5.829 3.114 -13.436 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.132 2.011 -10.976 1.00 0.36 H new ATOM 0 HB VAL A 31 4.575 4.661 -12.246 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.016 5.600 -10.033 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.811 4.419 -10.600 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.994 3.955 -9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.349 5.366 -10.570 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.437 3.682 -10.002 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.941 4.089 -11.659 1.00 0.00 H new ATOM 525 N ASP A 32 2.474 2.668 -12.882 1.00 -0.73 N ATOM 526 CA ASP A 32 1.064 2.337 -13.063 1.00 0.36 C ATOM 527 C ASP A 32 0.889 0.847 -13.330 1.00 0.57 C ATOM 528 O ASP A 32 -0.078 0.275 -12.846 1.00 -0.57 O ATOM 529 CB ASP A 32 0.443 3.151 -14.202 1.00 0.06 C ATOM 530 CG ASP A 32 -1.081 2.958 -14.262 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.514 2.063 -14.969 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.828 3.820 -13.578 1.00 -0.65 O ATOM 0 H ASP A 32 2.851 3.290 -13.597 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.546 2.592 -12.139 1.00 0.36 H new ATOM 0 HB2 ASP A 32 0.672 4.208 -14.064 1.00 0.06 H new ATOM 0 HB3 ASP A 32 0.887 2.850 -15.151 1.00 0.06 H new ATOM 538 N ARG A 33 1.822 0.185 -14.028 1.00 -0.73 N ATOM 539 CA ARG A 33 1.773 -1.265 -14.234 1.00 0.36 C ATOM 540 C ARG A 33 1.935 -2.023 -12.930 1.00 0.57 C ATOM 541 O ARG A 33 1.192 -2.972 -12.683 1.00 -0.57 O ATOM 542 CB ARG A 33 2.859 -1.712 -15.230 1.00 0.00 C ATOM 543 CG ARG A 33 2.273 -2.040 -16.602 1.00 0.00 C ATOM 544 CD ARG A 33 1.617 -0.836 -17.307 1.00 0.33 C ATOM 545 NE ARG A 33 0.464 -1.247 -18.127 1.00 -0.84 N ATOM 546 CZ ARG A 33 0.480 -2.086 -19.177 1.00 1.20 C ATOM 547 NH1 ARG A 33 1.624 -2.577 -19.661 1.00 -0.97 N ATOM 548 NH2 ARG A 33 -0.667 -2.428 -19.762 1.00 -0.97 N ATOM 0 H ARG A 33 2.626 0.638 -14.462 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.790 -1.497 -14.645 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.604 -0.923 -15.333 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.374 -2.588 -14.836 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.065 -2.434 -17.239 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.531 -2.831 -16.489 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.293 -0.110 -16.561 1.00 0.33 H new ATOM 0 HD3 ARG A 33 2.353 -0.338 -17.938 1.00 0.33 H new ATOM 0 HE ARG A 33 -0.442 -0.853 -17.871 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 2.512 -2.317 -19.233 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 1.609 -3.212 -20.459 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 -1.549 -2.054 -19.413 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 -0.663 -3.064 -20.559 1.00 -0.97 H new ATOM 562 N LEU A 34 2.918 -1.631 -12.115 1.00 -0.73 N ATOM 563 CA LEU A 34 3.212 -2.249 -10.832 1.00 0.36 C ATOM 564 C LEU A 34 2.030 -2.011 -9.904 1.00 0.57 C ATOM 565 O LEU A 34 1.569 -2.958 -9.284 1.00 -0.57 O ATOM 566 CB LEU A 34 4.503 -1.674 -10.232 1.00 0.00 C ATOM 567 CG LEU A 34 5.773 -2.025 -11.031 1.00 0.00 C ATOM 568 CD1 LEU A 34 6.863 -1.028 -10.641 1.00 0.00 C ATOM 569 CD2 LEU A 34 6.273 -3.453 -10.804 1.00 0.00 C ATOM 0 H LEU A 34 3.542 -0.857 -12.340 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.367 -3.320 -10.965 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.412 -0.590 -10.171 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.614 -2.043 -9.212 1.00 0.00 H new ATOM 0 HG LEU A 34 5.525 -1.964 -12.091 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.776 -1.253 -11.193 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.534 -0.017 -10.881 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.058 -1.102 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.169 -3.624 -11.400 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.507 -3.593 -9.749 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.499 -4.161 -11.101 1.00 0.00 H new ATOM 581 N VAL A 35 1.492 -0.790 -9.852 1.00 -0.73 N ATOM 582 CA VAL A 35 0.291 -0.488 -9.089 1.00 0.36 C ATOM 583 C VAL A 35 -0.907 -1.263 -9.643 1.00 0.57 C ATOM 584 O VAL A 35 -1.624 -1.855 -8.848 1.00 -0.57 O ATOM 585 CB VAL A 35 0.085 1.044 -9.003 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.377 1.503 -9.044 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.734 1.542 -7.703 1.00 0.00 C ATOM 0 H VAL A 35 1.882 0.015 -10.341 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.403 -0.829 -8.060 1.00 0.36 H new ATOM 0 HB VAL A 35 0.549 1.470 -9.893 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.419 2.590 -8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.834 1.178 -9.979 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.919 1.067 -8.205 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.601 2.621 -7.620 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.263 1.052 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.798 1.307 -7.714 1.00 0.00 H new ATOM 597 N SER A 36 -1.114 -1.321 -10.961 1.00 -0.73 N ATOM 598 CA SER A 36 -2.235 -2.024 -11.578 1.00 0.36 C ATOM 599 C SER A 36 -2.182 -3.503 -11.216 1.00 0.57 C ATOM 600 O SER A 36 -3.201 -4.050 -10.801 1.00 -0.57 O ATOM 601 CB SER A 36 -2.233 -1.852 -13.110 1.00 0.28 C ATOM 602 OG SER A 36 -2.939 -0.697 -13.522 1.00 -0.68 O ATOM 0 H SER A 36 -0.496 -0.873 -11.638 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.159 -1.590 -11.195 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.204 -1.792 -13.465 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.679 -2.732 -13.573 1.00 0.28 H new ATOM 0 HG SER A 36 -2.345 0.081 -13.481 1.00 -0.68 H new ATOM 608 N LYS A 37 -1.014 -4.154 -11.328 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.892 -5.563 -10.958 1.00 0.36 C ATOM 610 C LYS A 37 -0.949 -5.752 -9.435 1.00 0.57 C ATOM 611 O LYS A 37 -1.557 -6.720 -8.987 1.00 -0.57 O ATOM 612 CB LYS A 37 0.348 -6.203 -11.607 1.00 0.00 C ATOM 613 CG LYS A 37 1.680 -5.777 -10.973 1.00 0.00 C ATOM 614 CD LYS A 37 2.929 -6.297 -11.696 1.00 0.00 C ATOM 615 CE LYS A 37 3.103 -5.663 -13.085 1.00 0.50 C ATOM 616 NZ LYS A 37 3.281 -6.662 -14.162 1.00 -0.85 N ATOM 0 H LYS A 37 -0.152 -3.728 -11.669 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.754 -6.098 -11.357 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.259 -7.287 -11.544 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.364 -5.946 -12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.721 -4.688 -10.943 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.703 -6.125 -9.940 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.811 -6.088 -11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.863 -7.380 -11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.231 -5.048 -13.309 1.00 0.50 H new ATOM 0 HE3 LYS A 37 3.966 -4.998 -13.068 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 3.393 -6.174 -15.073 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 4.128 -7.233 -13.969 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 2.447 -7.282 -14.202 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.373 -4.839 -8.643 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.383 -4.892 -7.182 1.00 0.36 C ATOM 632 C ALA A 38 -1.802 -4.743 -6.630 1.00 0.57 C ATOM 633 O ALA A 38 -2.218 -5.470 -5.729 1.00 -0.57 O ATOM 634 CB ALA A 38 0.480 -3.749 -6.642 1.00 0.00 C ATOM 0 H ALA A 38 0.123 -4.027 -9.011 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.009 -5.859 -6.868 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.481 -3.777 -5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.501 -3.859 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.074 -2.796 -6.980 1.00 0.00 H new ATOM 640 N LEU A 39 -2.558 -3.801 -7.191 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.951 -3.585 -6.856 1.00 0.36 C ATOM 642 C LEU A 39 -4.812 -4.706 -7.413 1.00 0.57 C ATOM 643 O LEU A 39 -5.755 -5.117 -6.739 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.421 -2.231 -7.405 1.00 0.00 C ATOM 645 CG LEU A 39 -3.990 -1.026 -6.552 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.494 0.274 -7.187 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.540 -1.106 -5.119 1.00 0.00 C ATOM 0 H LEU A 39 -2.207 -3.159 -7.902 1.00 -0.73 H new ATOM 0 HA LEU A 39 -4.051 -3.580 -5.771 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -4.032 -2.105 -8.415 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.508 -2.239 -7.481 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.901 -1.041 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.184 1.122 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.075 0.376 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.582 0.251 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.210 -0.234 -4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.629 -1.129 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.171 -2.012 -4.638 1.00 0.00 H new ATOM 659 N ASN A 40 -4.484 -5.239 -8.597 1.00 -0.73 N ATOM 660 CA ASN A 40 -5.129 -6.444 -9.103 1.00 0.36 C ATOM 661 C ASN A 40 -4.928 -7.592 -8.122 1.00 0.57 C ATOM 662 O ASN A 40 -5.892 -8.284 -7.843 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.608 -6.831 -10.493 1.00 0.06 C ATOM 664 CG ASN A 40 -5.285 -8.094 -11.021 1.00 0.57 C ATOM 665 OD1 ASN A 40 -6.500 -8.243 -10.939 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.509 -9.016 -11.578 1.00 -0.80 N ATOM 0 H ASN A 40 -3.775 -4.850 -9.218 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.194 -6.235 -9.202 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.780 -6.009 -11.188 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.530 -6.989 -10.446 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -4.921 -9.872 -11.950 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -3.501 -8.868 -11.634 1.00 -0.80 H new ATOM 673 N MET A 41 -3.723 -7.760 -7.564 1.00 -0.73 N ATOM 674 CA MET A 41 -3.428 -8.768 -6.549 1.00 0.36 C ATOM 675 C MET A 41 -4.278 -8.557 -5.290 1.00 0.57 C ATOM 676 O MET A 41 -4.738 -9.541 -4.731 1.00 -0.57 O ATOM 677 CB MET A 41 -1.921 -8.773 -6.234 1.00 0.00 C ATOM 678 CG MET A 41 -1.067 -9.507 -7.272 1.00 0.23 C ATOM 679 SD MET A 41 0.567 -8.770 -7.580 1.00 -0.46 S ATOM 680 CE MET A 41 1.342 -8.931 -5.949 1.00 0.23 C ATOM 0 H MET A 41 -2.915 -7.188 -7.812 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.693 -9.749 -6.942 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.574 -7.743 -6.157 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.766 -9.236 -5.259 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.929 -10.537 -6.944 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.616 -9.543 -8.213 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.351 -8.521 -5.984 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.754 -8.386 -5.211 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.388 -9.984 -5.670 1.00 0.23 H new ATOM 690 N TRP A 42 -4.555 -7.316 -4.870 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.477 -7.049 -3.762 1.00 0.36 C ATOM 692 C TRP A 42 -6.928 -7.387 -4.148 1.00 0.57 C ATOM 693 O TRP A 42 -7.630 -8.089 -3.415 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.327 -5.581 -3.321 1.00 0.18 C ATOM 695 CG TRP A 42 -4.331 -5.364 -2.226 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.989 -5.239 -2.338 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.600 -5.292 -0.798 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.428 -5.133 -1.077 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.369 -5.269 -0.091 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.774 -5.249 -0.033 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.301 -5.319 1.305 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.720 -5.279 1.370 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.492 -5.344 2.047 1.00 -0.15 C ATOM 0 H TRP A 42 -4.150 -6.477 -5.285 1.00 -0.73 H new ATOM 0 HA TRP A 42 -5.224 -7.693 -2.920 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -5.036 -4.983 -4.184 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.298 -5.212 -2.991 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.440 -5.224 -3.268 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.436 -4.973 -0.903 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.732 -5.192 -0.529 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.344 -5.338 1.806 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.638 -5.252 1.938 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.464 -5.412 3.124 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.368 -6.936 -5.328 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.701 -7.209 -5.860 1.00 0.36 C ATOM 716 C GLY A 43 -8.882 -8.662 -6.332 1.00 0.57 C ATOM 717 O GLY A 43 -9.967 -9.055 -6.756 1.00 -0.57 O ATOM 0 H GLY A 43 -6.796 -6.362 -5.948 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.443 -6.988 -5.093 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.896 -6.536 -6.695 1.00 0.36 H new ATOM 721 N LYS A 44 -7.825 -9.477 -6.288 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.878 -10.889 -6.649 1.00 0.36 C ATOM 723 C LYS A 44 -8.660 -11.694 -5.607 1.00 0.57 C ATOM 724 O LYS A 44 -9.176 -12.773 -5.934 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.442 -11.406 -6.836 1.00 0.00 C ATOM 726 CG LYS A 44 -6.400 -12.531 -7.865 1.00 0.00 C ATOM 727 CD LYS A 44 -4.969 -12.999 -8.130 1.00 0.00 C ATOM 728 CE LYS A 44 -4.910 -13.590 -9.543 1.00 0.50 C ATOM 729 NZ LYS A 44 -3.979 -14.727 -9.620 1.00 -0.85 N ATOM 0 H LYS A 44 -6.898 -9.167 -5.996 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.414 -11.013 -7.590 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.796 -10.589 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.053 -11.764 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.998 -13.371 -7.511 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.850 -12.189 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.273 -12.165 -8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.671 -13.745 -7.394 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.906 -13.915 -9.843 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -4.600 -12.818 -10.248 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -3.966 -15.100 -10.591 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -3.023 -14.412 -9.358 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -4.289 -15.474 -8.966 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.801 -11.135 -4.399 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.526 -11.713 -3.282 1.00 0.36 C ATOM 745 C GLU A 45 -10.811 -10.922 -2.989 1.00 0.57 C ATOM 746 O GLU A 45 -11.815 -11.543 -2.642 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.629 -11.738 -2.033 1.00 0.00 C ATOM 748 CG GLU A 45 -7.659 -12.936 -1.890 1.00 0.06 C ATOM 749 CD GLU A 45 -6.346 -12.894 -2.687 1.00 0.66 C ATOM 750 OE1 GLU A 45 -6.149 -11.940 -3.422 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -5.504 -13.914 -2.547 1.00 -0.65 O ATOM 0 H GLU A 45 -8.392 -10.228 -4.173 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.806 -12.732 -3.547 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.040 -10.821 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.272 -11.716 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.407 -13.039 -0.835 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -8.197 -13.839 -2.178 1.00 0.06 H new ATOM 759 N ILE A 46 -10.824 -9.587 -3.162 1.00 -0.73 N ATOM 760 CA ILE A 46 -12.018 -8.764 -2.920 1.00 0.36 C ATOM 761 C ILE A 46 -12.529 -8.146 -4.217 1.00 0.57 C ATOM 762 O ILE A 46 -11.723 -7.670 -5.004 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.780 -7.672 -1.847 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.543 -6.770 -2.057 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.748 -8.401 -0.509 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.391 -5.654 -1.009 1.00 0.00 C ATOM 0 H ILE A 46 -10.011 -9.054 -3.472 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.784 -9.433 -2.528 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.590 -6.945 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.648 -7.391 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.601 -6.318 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.582 -7.682 0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.698 -8.910 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.940 -9.133 -0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.499 -5.068 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.267 -5.006 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.299 -6.096 -0.017 1.00 0.00 H new ATOM 778 N PRO A 47 -13.856 -8.022 -4.421 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.429 -7.365 -5.596 1.00 0.36 C ATOM 780 C PRO A 47 -14.251 -5.834 -5.561 1.00 0.57 C ATOM 781 O PRO A 47 -15.000 -5.095 -6.207 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.898 -7.800 -5.611 1.00 0.00 C ATOM 783 CG PRO A 47 -16.240 -8.098 -4.150 1.00 0.00 C ATOM 784 CD PRO A 47 -14.900 -8.398 -3.478 1.00 0.30 C ATOM 0 HA PRO A 47 -13.921 -7.658 -6.515 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.538 -7.015 -6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -16.042 -8.680 -6.237 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.735 -7.248 -3.680 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.920 -8.946 -4.070 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.801 -7.837 -2.549 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.825 -9.455 -3.222 1.00 0.30 H new ATOM 792 N LEU A 48 -13.284 -5.350 -4.779 1.00 -0.73 N ATOM 793 CA LEU A 48 -12.986 -3.950 -4.604 1.00 0.36 C ATOM 794 C LEU A 48 -12.018 -3.553 -5.714 1.00 0.57 C ATOM 795 O LEU A 48 -10.985 -4.195 -5.896 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.434 -3.727 -3.186 1.00 0.00 C ATOM 797 CG LEU A 48 -13.011 -2.459 -2.534 1.00 0.00 C ATOM 798 CD1 LEU A 48 -13.160 -2.633 -1.015 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.180 -1.233 -2.910 1.00 0.00 C ATOM 0 H LEU A 48 -12.670 -5.956 -4.235 1.00 -0.73 H new ATOM 0 HA LEU A 48 -13.869 -3.316 -4.686 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.669 -4.592 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.348 -3.650 -3.228 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.015 -2.294 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.570 -1.720 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.832 -3.466 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.184 -2.836 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.605 -0.347 -2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.154 -1.370 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.187 -1.107 -3.993 1.00 0.00 H new ATOM 811 N HIS A 49 -12.373 -2.507 -6.460 1.00 -0.73 N ATOM 812 CA HIS A 49 -11.633 -2.057 -7.633 1.00 0.36 C ATOM 813 C HIS A 49 -11.305 -0.568 -7.489 1.00 0.57 C ATOM 814 O HIS A 49 -11.633 0.061 -6.480 1.00 -0.57 O ATOM 815 CB HIS A 49 -12.434 -2.350 -8.915 1.00 0.17 C ATOM 816 CG HIS A 49 -12.758 -3.808 -9.154 1.00 0.18 C ATOM 817 ND1 HIS A 49 -13.836 -4.503 -8.654 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -12.053 -4.682 -9.942 1.00 0.20 C ATOM 819 CE1 HIS A 49 -13.779 -5.755 -9.139 1.00 0.65 C ATOM 820 NE2 HIS A 49 -12.713 -5.918 -9.939 1.00 -0.70 N ATOM 0 H HIS A 49 -13.197 -1.941 -6.260 1.00 -0.73 H new ATOM 0 HA HIS A 49 -10.693 -2.604 -7.709 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -13.368 -1.789 -8.877 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -11.871 -1.975 -9.770 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -14.551 -4.133 -8.027 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -11.142 -4.455 -10.475 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -14.497 -6.530 -8.914 1.00 0.65 H new ATOM 829 N PHE A 50 -10.650 0.016 -8.498 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.104 1.360 -8.413 1.00 0.36 C ATOM 831 C PHE A 50 -10.167 2.000 -9.791 1.00 0.57 C ATOM 832 O PHE A 50 -9.996 1.317 -10.808 1.00 -0.57 O ATOM 833 CB PHE A 50 -8.650 1.353 -7.898 1.00 0.14 C ATOM 834 CG PHE A 50 -8.310 0.173 -7.011 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -8.034 -1.081 -7.593 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.381 0.295 -5.616 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -7.907 -2.224 -6.784 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.203 -0.838 -4.814 1.00 -0.15 C ATOM 839 CZ PHE A 50 -7.990 -2.103 -5.388 1.00 -0.15 C ATOM 0 H PHE A 50 -10.487 -0.438 -9.397 1.00 -0.73 H new ATOM 0 HA PHE A 50 -10.697 1.934 -7.701 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -7.974 1.357 -8.753 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.469 2.274 -7.344 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -7.920 -1.164 -8.664 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.572 1.257 -5.163 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -7.746 -3.192 -7.235 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -8.230 -0.739 -3.739 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -7.891 -2.976 -4.760 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.362 3.318 -9.812 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.481 4.112 -11.026 1.00 0.36 C ATOM 851 C ARG A 51 -9.665 5.384 -10.888 1.00 0.57 C ATOM 852 O ARG A 51 -9.374 5.839 -9.783 1.00 -0.57 O ATOM 853 CB ARG A 51 -11.961 4.457 -11.283 1.00 0.00 C ATOM 854 CG ARG A 51 -12.565 3.752 -12.513 1.00 0.00 C ATOM 855 CD ARG A 51 -13.756 2.852 -12.147 1.00 0.33 C ATOM 856 NE ARG A 51 -14.769 2.802 -13.219 1.00 -0.84 N ATOM 857 CZ ARG A 51 -14.769 2.030 -14.320 1.00 1.20 C ATOM 858 NH1 ARG A 51 -13.810 1.125 -14.521 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -15.747 2.179 -15.222 1.00 -0.97 N ATOM 0 H ARG A 51 -10.443 3.874 -8.961 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.101 3.537 -11.870 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -12.544 4.190 -10.401 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.055 5.535 -11.413 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.888 4.501 -13.236 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.795 3.152 -12.999 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.397 1.843 -11.942 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.218 3.219 -11.230 1.00 0.33 H new ATOM 0 HE ARG A 51 -15.566 3.429 -13.112 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -13.064 1.012 -13.835 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -13.823 0.546 -15.361 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -16.480 2.872 -15.070 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -15.759 1.600 -16.062 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.345 5.988 -12.030 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.531 7.183 -12.080 1.00 0.36 C ATOM 875 C LYS A 52 -9.435 8.327 -12.499 1.00 0.57 C ATOM 876 O LYS A 52 -9.987 8.311 -13.599 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.363 6.972 -13.048 1.00 0.00 C ATOM 878 CG LYS A 52 -6.173 7.827 -12.602 1.00 0.00 C ATOM 879 CD LYS A 52 -4.993 7.698 -13.577 1.00 0.00 C ATOM 880 CE LYS A 52 -4.417 9.083 -13.905 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.106 9.228 -15.341 1.00 -0.85 N ATOM 0 H LYS A 52 -9.648 5.655 -12.945 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.091 7.416 -11.110 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.081 5.919 -13.071 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.661 7.244 -14.060 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.478 8.871 -12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.858 7.522 -11.604 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.218 7.069 -13.139 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.322 7.207 -14.493 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.131 9.852 -13.610 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.512 9.247 -13.320 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -3.720 10.177 -15.518 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -3.405 8.512 -15.618 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -4.974 9.098 -15.899 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.604 9.297 -11.605 1.00 -0.73 N ATOM 896 CA VAL A 53 -10.433 10.471 -11.845 1.00 0.36 C ATOM 897 C VAL A 53 -9.518 11.662 -12.142 1.00 0.57 C ATOM 898 O VAL A 53 -8.332 11.649 -11.807 1.00 -0.57 O ATOM 899 CB VAL A 53 -11.384 10.719 -10.654 1.00 0.00 C ATOM 900 CG1 VAL A 53 -12.285 9.499 -10.399 1.00 0.00 C ATOM 901 CG2 VAL A 53 -10.644 11.097 -9.362 1.00 0.00 C ATOM 0 H VAL A 53 -9.164 9.289 -10.685 1.00 -0.73 H new ATOM 0 HA VAL A 53 -11.076 10.316 -12.711 1.00 0.36 H new ATOM 0 HB VAL A 53 -12.001 11.572 -10.938 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -12.944 9.703 -9.555 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.885 9.298 -11.287 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.666 8.630 -10.175 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -11.367 11.258 -8.562 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.967 10.290 -9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.072 12.011 -9.524 1.00 0.00 H new ATOM 911 N VAL A 54 -10.080 12.707 -12.756 1.00 -0.73 N ATOM 912 CA VAL A 54 -9.344 13.884 -13.215 1.00 0.36 C ATOM 913 C VAL A 54 -10.083 15.166 -12.801 1.00 0.57 C ATOM 914 O VAL A 54 -10.164 16.131 -13.558 1.00 -0.57 O ATOM 915 CB VAL A 54 -9.016 13.778 -14.726 1.00 0.00 C ATOM 916 CG1 VAL A 54 -7.969 12.686 -14.990 1.00 0.00 C ATOM 917 CG2 VAL A 54 -10.252 13.518 -15.606 1.00 0.00 C ATOM 0 H VAL A 54 -11.080 12.758 -12.951 1.00 -0.73 H new ATOM 0 HA VAL A 54 -8.373 13.933 -12.723 1.00 0.36 H new ATOM 0 HB VAL A 54 -8.616 14.753 -15.004 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.759 12.634 -16.058 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.052 12.923 -14.451 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.352 11.724 -14.649 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.948 13.455 -16.651 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -10.720 12.580 -15.308 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -10.964 14.334 -15.484 1.00 0.00 H new ATOM 927 N TRP A 55 -10.639 15.158 -11.582 1.00 -0.73 N ATOM 928 CA TRP A 55 -11.350 16.304 -11.024 1.00 0.36 C ATOM 929 C TRP A 55 -10.380 17.191 -10.251 1.00 0.57 C ATOM 930 O TRP A 55 -10.076 18.288 -10.712 1.00 -0.57 O ATOM 931 CB TRP A 55 -12.524 15.816 -10.161 1.00 0.18 C ATOM 932 CG TRP A 55 -13.619 15.127 -10.919 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -14.197 15.592 -12.051 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -14.300 13.868 -10.621 1.00 0.00 C ATOM 935 NE1 TRP A 55 -15.168 14.714 -12.482 1.00 0.03 N ATOM 936 CE2 TRP A 55 -15.286 13.637 -11.629 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -14.192 12.901 -9.598 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -16.121 12.510 -11.617 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -15.027 11.766 -9.575 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -15.988 11.569 -10.582 1.00 -0.15 C ATOM 0 H TRP A 55 -10.605 14.352 -10.958 1.00 -0.73 H new ATOM 0 HA TRP A 55 -11.769 16.912 -11.825 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -12.140 15.133 -9.404 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -12.948 16.670 -9.634 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -13.935 16.516 -12.545 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -15.728 14.844 -13.325 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -13.456 13.034 -8.819 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -16.857 12.367 -12.394 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -14.928 11.043 -8.779 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -16.623 10.696 -10.560 1.00 -0.15 H new ATOM 951 N GLY A 56 -9.821 16.682 -9.148 1.00 -0.73 N ATOM 952 CA GLY A 56 -8.864 17.409 -8.328 1.00 0.36 C ATOM 953 C GLY A 56 -8.110 16.427 -7.446 1.00 0.57 C ATOM 954 O GLY A 56 -6.968 16.080 -7.754 1.00 -0.57 O ATOM 0 H GLY A 56 -10.026 15.745 -8.802 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -8.166 17.956 -8.962 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -9.381 18.146 -7.713 1.00 0.36 H new ATOM 958 N THR A 57 -8.794 15.861 -6.455 1.00 -0.73 N ATOM 959 CA THR A 57 -8.196 14.966 -5.474 1.00 0.36 C ATOM 960 C THR A 57 -9.003 13.675 -5.487 1.00 0.57 C ATOM 961 O THR A 57 -10.229 13.712 -5.596 1.00 -0.57 O ATOM 962 CB THR A 57 -8.192 15.644 -4.090 1.00 0.28 C ATOM 963 OG1 THR A 57 -7.614 16.932 -4.184 1.00 -0.68 O ATOM 964 CG2 THR A 57 -7.388 14.853 -3.051 1.00 0.00 C ATOM 0 H THR A 57 -9.792 16.014 -6.311 1.00 -0.73 H new ATOM 0 HA THR A 57 -7.157 14.737 -5.713 1.00 0.36 H new ATOM 0 HB THR A 57 -9.232 15.695 -3.769 1.00 0.28 H new ATOM 0 HG1 THR A 57 -7.617 17.357 -3.301 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -7.418 15.374 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.820 13.859 -2.936 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.354 14.763 -3.383 1.00 0.00 H new ATOM 972 N ALA A 58 -8.296 12.549 -5.392 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.881 11.224 -5.355 1.00 0.36 C ATOM 974 C ALA A 58 -8.835 10.672 -3.932 1.00 0.57 C ATOM 975 O ALA A 58 -8.195 11.239 -3.035 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.116 10.331 -6.327 1.00 0.00 C ATOM 0 H ALA A 58 -7.277 12.541 -5.338 1.00 -0.73 H new ATOM 0 HA ALA A 58 -9.928 11.260 -5.656 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.543 9.328 -6.313 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.189 10.742 -7.334 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.068 10.284 -6.030 1.00 0.00 H new ATOM 982 N ASP A 59 -9.508 9.539 -3.748 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.558 8.832 -2.480 1.00 0.36 C ATOM 984 C ASP A 59 -8.138 8.394 -2.122 1.00 0.57 C ATOM 985 O ASP A 59 -7.659 8.760 -1.060 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.503 7.631 -2.573 1.00 0.06 C ATOM 987 CG ASP A 59 -11.951 7.982 -2.902 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.428 7.416 -3.872 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.563 8.923 -2.189 1.00 -0.65 O ATOM 0 H ASP A 59 -10.040 9.083 -4.489 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.945 9.485 -1.698 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.127 6.948 -3.335 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.480 7.094 -1.625 1.00 0.06 H new ATOM 995 N ILE A 60 -7.418 7.741 -3.041 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.088 7.181 -2.830 1.00 0.36 C ATOM 997 C ILE A 60 -5.111 8.057 -3.614 1.00 0.57 C ATOM 998 O ILE A 60 -4.749 7.779 -4.763 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.029 5.692 -3.246 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.109 4.812 -2.577 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.648 5.110 -2.897 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.442 3.578 -3.423 1.00 0.00 C ATOM 0 H ILE A 60 -7.764 7.585 -3.988 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.820 7.187 -1.773 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.215 5.675 -4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.762 4.495 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -8.013 5.401 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.610 4.061 -3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.875 5.664 -3.429 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.480 5.192 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.205 2.986 -2.918 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.814 3.895 -4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.544 2.975 -3.556 1.00 0.00 H new ATOM 1014 N MET A 61 -4.730 9.178 -3.010 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.702 10.029 -3.575 1.00 0.36 C ATOM 1016 C MET A 61 -2.343 9.398 -3.263 1.00 0.57 C ATOM 1017 O MET A 61 -2.019 9.212 -2.093 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.866 11.446 -3.024 1.00 0.00 C ATOM 1019 CG MET A 61 -2.690 12.356 -3.362 1.00 0.23 C ATOM 1020 SD MET A 61 -1.619 12.775 -1.958 1.00 -0.46 S ATOM 1021 CE MET A 61 -2.501 14.249 -1.391 1.00 0.23 C ATOM 0 H MET A 61 -5.121 9.514 -2.130 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.783 10.112 -4.659 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.782 11.882 -3.423 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.982 11.398 -1.941 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.085 11.874 -4.130 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.076 13.279 -3.794 1.00 0.23 H new ATOM 0 HE1 MET A 61 -1.993 14.664 -0.520 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.519 14.991 -2.189 1.00 0.23 H new ATOM 0 HE3 MET A 61 -3.523 13.981 -1.122 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.553 9.084 -4.295 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.200 8.554 -4.138 1.00 0.36 C ATOM 1033 C ILE A 62 0.759 9.687 -4.496 1.00 0.57 C ATOM 1034 O ILE A 62 0.644 10.272 -5.572 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.022 7.293 -5.004 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.979 6.164 -4.651 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.459 6.762 -4.856 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -2.027 5.982 -5.755 1.00 0.00 C ATOM 0 H ILE A 62 -1.839 9.192 -5.268 1.00 -0.73 H new ATOM 0 HA ILE A 62 -0.025 8.226 -3.113 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.146 7.594 -6.038 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.438 5.229 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.476 6.398 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.585 5.875 -5.477 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.165 7.530 -5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.646 6.505 -3.813 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.714 5.183 -5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.584 6.910 -5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.530 5.724 -6.690 1.00 0.00 H new ATOM 1050 N GLY A 63 1.709 9.999 -3.616 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.706 11.025 -3.882 1.00 0.36 C ATOM 1052 C GLY A 63 4.081 10.593 -3.401 1.00 0.57 C ATOM 1053 O GLY A 63 4.223 9.666 -2.611 1.00 -0.57 O ATOM 0 H GLY A 63 1.806 9.549 -2.706 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.741 11.233 -4.951 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.419 11.952 -3.386 1.00 0.36 H new ATOM 1057 N PHE A 64 5.102 11.293 -3.872 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.489 11.045 -3.535 1.00 0.36 C ATOM 1059 C PHE A 64 7.088 12.410 -3.188 1.00 0.57 C ATOM 1060 O PHE A 64 6.782 13.411 -3.849 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.214 10.319 -4.691 1.00 0.14 C ATOM 1062 CG PHE A 64 6.495 9.088 -5.231 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.419 9.243 -6.120 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 6.848 7.797 -4.805 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.658 8.137 -6.532 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.047 6.697 -5.153 1.00 -0.15 C ATOM 1067 CZ PHE A 64 4.958 6.861 -6.029 1.00 -0.15 C ATOM 0 H PHE A 64 4.981 12.072 -4.519 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.599 10.374 -2.683 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.359 11.025 -5.509 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.205 10.021 -4.348 1.00 0.14 H new ATOM 0 HD1 PHE A 64 5.173 10.227 -6.492 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 7.737 7.650 -4.209 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.846 8.267 -7.232 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.268 5.721 -4.747 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.356 6.010 -6.313 1.00 -0.15 H new ATOM 1077 N ALA A 65 7.888 12.445 -2.121 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.603 13.617 -1.628 1.00 0.36 C ATOM 1079 C ALA A 65 10.052 13.208 -1.370 1.00 0.57 C ATOM 1080 O ALA A 65 10.327 12.031 -1.203 1.00 -0.57 O ATOM 1081 CB ALA A 65 7.947 14.116 -0.331 1.00 0.00 C ATOM 0 H ALA A 65 8.061 11.616 -1.552 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.569 14.425 -2.359 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.484 14.992 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.909 14.383 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.983 13.328 0.421 1.00 0.00 H new ATOM 1087 N ARG A 66 10.989 14.152 -1.301 1.00 -0.73 N ATOM 1088 CA ARG A 66 12.425 13.875 -1.183 1.00 0.36 C ATOM 1089 C ARG A 66 12.960 14.419 0.147 1.00 0.57 C ATOM 1090 O ARG A 66 13.894 15.219 0.166 1.00 -0.57 O ATOM 1091 CB ARG A 66 13.169 14.406 -2.424 1.00 0.00 C ATOM 1092 CG ARG A 66 12.801 15.863 -2.756 1.00 0.00 C ATOM 1093 CD ARG A 66 13.739 16.471 -3.803 1.00 0.33 C ATOM 1094 NE ARG A 66 12.976 17.183 -4.842 1.00 -0.84 N ATOM 1095 CZ ARG A 66 13.473 17.695 -5.976 1.00 1.20 C ATOM 1096 NH1 ARG A 66 14.783 17.620 -6.240 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 12.637 18.271 -6.842 1.00 -0.97 N ATOM 0 H ARG A 66 10.771 15.148 -1.326 1.00 -0.73 H new ATOM 0 HA ARG A 66 12.603 12.800 -1.161 1.00 0.36 H new ATOM 0 HB2 ARG A 66 14.244 14.336 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.938 13.773 -3.280 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.775 15.903 -3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.838 16.462 -1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 66 14.433 17.159 -3.320 1.00 0.33 H new ATOM 0 HD3 ARG A 66 14.338 15.684 -4.261 1.00 0.33 H new ATOM 0 HE ARG A 66 11.975 17.297 -4.683 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 15.412 17.170 -5.575 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 15.152 18.013 -7.106 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 11.639 18.316 -6.635 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 12.996 18.667 -7.711 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.295 14.072 1.252 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.587 14.624 2.567 1.00 0.36 C ATOM 1113 C GLY A 67 11.317 15.223 3.153 1.00 0.57 C ATOM 1114 O GLY A 67 10.296 14.541 3.202 1.00 -0.57 O ATOM 0 H GLY A 67 11.533 13.394 1.254 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 12.972 13.844 3.224 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.361 15.387 2.490 1.00 0.36 H new ATOM 1118 N ALA A 68 11.389 16.492 3.585 1.00 -0.73 N ATOM 1119 CA ALA A 68 10.298 17.227 4.222 1.00 0.36 C ATOM 1120 C ALA A 68 8.938 16.928 3.588 1.00 0.57 C ATOM 1121 O ALA A 68 8.811 16.870 2.360 1.00 -0.57 O ATOM 1122 CB ALA A 68 10.570 18.733 4.157 1.00 0.00 C ATOM 0 H ALA A 68 12.239 17.048 3.495 1.00 -0.73 H new ATOM 0 HA ALA A 68 10.257 16.896 5.260 1.00 0.36 H new ATOM 0 HB1 ALA A 68 9.751 19.272 4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.502 18.957 4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.650 19.044 3.115 1.00 0.00 H new ATOM 1128 N HIS A 69 7.921 16.798 4.444 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.594 16.382 4.027 1.00 0.36 C ATOM 1130 C HIS A 69 5.580 17.457 4.385 1.00 0.57 C ATOM 1131 O HIS A 69 4.989 18.048 3.486 1.00 -0.57 O ATOM 1132 CB HIS A 69 6.249 15.005 4.633 1.00 0.17 C ATOM 1133 CG HIS A 69 5.853 14.002 3.591 1.00 0.18 C ATOM 1134 ND1 HIS A 69 5.138 14.235 2.446 1.00 -0.70 N flip ATOM 1135 CD2 HIS A 69 6.158 12.666 3.611 1.00 0.20 C flip ATOM 1136 CE1 HIS A 69 5.021 13.036 1.750 1.00 0.65 C flip ATOM 1137 NE2 HIS A 69 5.645 12.123 2.501 1.00 -0.70 N flip ATOM 0 H HIS A 69 8.002 16.980 5.444 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.566 16.262 2.944 1.00 0.36 H new ATOM 0 HB2 HIS A 69 7.110 14.629 5.186 1.00 0.17 H new ATOM 0 HB3 HIS A 69 5.436 15.120 5.349 1.00 0.17 H new ATOM 0 HD2 HIS A 69 6.710 12.147 4.381 1.00 0.20 H new ATOM 0 HE1 HIS A 69 4.529 12.876 0.802 1.00 0.65 H new ATOM 0 HE2 HIS A 69 5.721 11.135 2.258 1.00 -0.70 H new ATOM 1146 N GLY A 70 5.421 17.748 5.682 1.00 -0.73 N ATOM 1147 CA GLY A 70 4.455 18.725 6.172 1.00 0.36 C ATOM 1148 C GLY A 70 3.087 18.102 6.475 1.00 0.57 C ATOM 1149 O GLY A 70 2.262 18.744 7.128 1.00 -0.57 O ATOM 0 H GLY A 70 5.966 17.306 6.422 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 4.845 19.194 7.076 1.00 0.36 H new ATOM 0 HA3 GLY A 70 4.334 19.514 5.430 1.00 0.36 H new ATOM 1153 N ASP A 71 2.864 16.852 6.061 1.00 -0.73 N ATOM 1154 CA ASP A 71 1.672 16.075 6.377 1.00 0.36 C ATOM 1155 C ASP A 71 2.013 15.102 7.496 1.00 0.57 C ATOM 1156 O ASP A 71 2.914 14.277 7.373 1.00 -0.57 O ATOM 1157 CB ASP A 71 1.105 15.351 5.148 1.00 0.06 C ATOM 1158 CG ASP A 71 2.147 14.648 4.289 1.00 0.66 C ATOM 1159 OD1 ASP A 71 2.385 15.139 3.198 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.655 13.500 4.728 1.00 -0.65 O ATOM 0 H ASP A 71 3.529 16.342 5.480 1.00 -0.73 H new ATOM 0 HA ASP A 71 0.884 16.752 6.707 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.373 14.616 5.482 1.00 0.06 H new ATOM 0 HB3 ASP A 71 0.572 16.074 4.530 1.00 0.06 H new ATOM 1166 N SER A 72 1.283 15.216 8.608 1.00 -0.73 N ATOM 1167 CA SER A 72 1.491 14.449 9.832 1.00 0.36 C ATOM 1168 C SER A 72 2.882 14.700 10.429 1.00 0.57 C ATOM 1169 O SER A 72 2.983 15.435 11.408 1.00 -0.57 O ATOM 1170 CB SER A 72 1.187 12.961 9.574 1.00 0.28 C ATOM 1171 OG SER A 72 0.008 12.579 10.245 1.00 -0.68 O ATOM 0 H SER A 72 0.503 15.870 8.680 1.00 -0.73 H new ATOM 0 HA SER A 72 0.791 14.791 10.594 1.00 0.36 H new ATOM 0 HB2 SER A 72 1.078 12.785 8.504 1.00 0.28 H new ATOM 0 HB3 SER A 72 2.022 12.348 9.914 1.00 0.28 H new ATOM 0 HG SER A 72 -0.175 11.632 10.072 1.00 -0.68 H new ATOM 1177 N TYR A 73 3.947 14.156 9.830 1.00 -0.73 N ATOM 1178 CA TYR A 73 5.305 14.179 10.344 1.00 0.36 C ATOM 1179 C TYR A 73 6.276 14.214 9.160 1.00 0.57 C ATOM 1180 O TYR A 73 6.004 13.577 8.136 1.00 -0.57 O ATOM 1181 CB TYR A 73 5.557 12.918 11.193 1.00 0.14 C ATOM 1182 CG TYR A 73 4.538 12.704 12.301 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 4.493 13.596 13.390 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 3.575 11.682 12.199 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 3.466 13.500 14.348 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 2.554 11.570 13.162 1.00 -0.15 C ATOM 1187 CZ TYR A 73 2.480 12.492 14.235 1.00 0.08 C ATOM 1188 OH TYR A 73 1.449 12.439 15.134 1.00 -0.53 O ATOM 0 H TYR A 73 3.874 13.669 8.937 1.00 -0.73 H new ATOM 0 HA TYR A 73 5.454 15.059 10.969 1.00 0.36 H new ATOM 0 HB2 TYR A 73 5.556 12.046 10.539 1.00 0.14 H new ATOM 0 HB3 TYR A 73 6.551 12.983 11.635 1.00 0.14 H new ATOM 0 HD1 TYR A 73 5.251 14.358 13.491 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 3.620 10.981 11.379 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 3.431 14.198 15.172 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 1.824 10.778 13.082 1.00 -0.15 H new ATOM 0 HH TYR A 73 0.860 11.688 14.913 1.00 -0.53 H new ATOM 1198 N PRO A 74 7.411 14.927 9.270 1.00 -0.66 N ATOM 1199 CA PRO A 74 8.428 14.909 8.237 1.00 0.36 C ATOM 1200 C PRO A 74 9.096 13.525 8.166 1.00 0.57 C ATOM 1201 O PRO A 74 9.214 12.797 9.166 1.00 -0.57 O ATOM 1202 CB PRO A 74 9.402 16.039 8.584 1.00 0.00 C ATOM 1203 CG PRO A 74 9.199 16.308 10.078 1.00 0.00 C ATOM 1204 CD PRO A 74 7.852 15.680 10.433 1.00 0.30 C ATOM 0 HA PRO A 74 8.017 15.076 7.241 1.00 0.36 H new ATOM 0 HB2 PRO A 74 10.431 15.749 8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.195 16.931 7.993 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.003 15.868 10.668 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.199 17.378 10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.948 15.027 11.301 1.00 0.30 H new ATOM 0 HD3 PRO A 74 7.125 16.449 10.692 1.00 0.30 H new ATOM 1212 N PHE A 75 9.532 13.177 6.954 1.00 -0.73 N ATOM 1213 CA PHE A 75 10.365 12.010 6.684 1.00 0.36 C ATOM 1214 C PHE A 75 11.785 12.215 7.236 1.00 0.57 C ATOM 1215 O PHE A 75 12.091 13.211 7.896 1.00 -0.57 O ATOM 1216 CB PHE A 75 10.401 11.764 5.162 1.00 0.14 C ATOM 1217 CG PHE A 75 9.375 10.821 4.571 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 9.034 9.601 5.193 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.863 11.115 3.298 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 8.106 8.735 4.585 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 7.986 10.224 2.671 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.563 9.062 3.332 1.00 -0.15 C ATOM 0 H PHE A 75 9.309 13.713 6.115 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.941 11.138 7.183 1.00 0.36 H new ATOM 0 HB2 PHE A 75 10.294 12.728 4.665 1.00 0.14 H new ATOM 0 HB3 PHE A 75 11.390 11.383 4.908 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.486 9.332 6.136 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 9.147 12.031 2.801 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 7.812 7.822 5.081 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 7.633 10.432 1.672 1.00 -0.15 H new ATOM 0 HZ PHE A 75 6.822 8.420 2.879 1.00 -0.15 H new ATOM 1232 N ASP A 76 12.649 11.249 6.928 1.00 -0.73 N ATOM 1233 CA ASP A 76 14.039 11.127 7.353 1.00 0.36 C ATOM 1234 C ASP A 76 14.994 11.147 6.136 1.00 0.57 C ATOM 1235 O ASP A 76 16.113 11.667 6.271 1.00 -0.57 O ATOM 1236 CB ASP A 76 14.146 9.758 8.056 1.00 0.06 C ATOM 1237 CG ASP A 76 13.717 8.650 7.095 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.521 8.487 6.917 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 14.637 8.014 6.376 1.00 -0.65 O ATOM 0 H ASP A 76 12.372 10.472 6.328 1.00 -0.73 H new ATOM 0 HA ASP A 76 14.318 11.955 8.005 1.00 0.36 H new ATOM 0 HB2 ASP A 76 15.170 9.588 8.388 1.00 0.06 H new ATOM 0 HB3 ASP A 76 13.516 9.745 8.946 1.00 0.06 H new ATOM 1245 N GLY A 77 14.578 10.626 4.963 1.00 -0.73 N ATOM 1246 CA GLY A 77 15.411 10.516 3.768 1.00 0.36 C ATOM 1247 C GLY A 77 15.750 9.054 3.423 1.00 0.57 C ATOM 1248 O GLY A 77 14.869 8.203 3.487 1.00 -0.57 O ATOM 0 H GLY A 77 13.634 10.266 4.827 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.895 10.975 2.925 1.00 0.36 H new ATOM 0 HA3 GLY A 77 16.335 11.075 3.919 1.00 0.36 H new ATOM 1252 N PRO A 78 16.981 8.728 2.991 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.390 7.377 2.606 1.00 0.36 C ATOM 1254 C PRO A 78 17.676 6.484 3.837 1.00 0.57 C ATOM 1255 O PRO A 78 18.825 6.397 4.281 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.606 7.584 1.689 1.00 0.00 C ATOM 1257 CG PRO A 78 19.204 8.927 2.117 1.00 0.00 C ATOM 1258 CD PRO A 78 18.056 9.681 2.782 1.00 0.30 C ATOM 0 HA PRO A 78 16.603 6.833 2.084 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.329 6.776 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.310 7.600 0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 78 20.035 8.786 2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.592 9.477 1.259 1.00 0.00 H new ATOM 0 HD2 PRO A 78 18.377 10.113 3.730 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.722 10.506 2.153 1.00 0.30 H new ATOM 1266 N GLY A 79 16.651 5.825 4.396 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.745 4.918 5.542 1.00 0.36 C ATOM 1268 C GLY A 79 15.400 4.809 6.277 1.00 0.57 C ATOM 1269 O GLY A 79 14.423 5.408 5.857 1.00 -0.57 O ATOM 0 H GLY A 79 15.697 5.915 4.046 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.058 3.931 5.203 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.511 5.276 6.230 1.00 0.36 H new ATOM 1273 N ASN A 80 15.339 4.097 7.411 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.178 4.102 8.323 1.00 0.36 C ATOM 1275 C ASN A 80 12.835 3.957 7.571 1.00 0.57 C ATOM 1276 O ASN A 80 12.720 3.079 6.726 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.223 5.349 9.244 1.00 0.06 C ATOM 1278 CG ASN A 80 15.596 5.598 9.865 1.00 0.57 C ATOM 1279 OD1 ASN A 80 16.463 6.200 9.248 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 15.842 5.126 11.082 1.00 -0.80 N ATOM 0 H ASN A 80 16.099 3.495 7.727 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.244 3.220 8.960 1.00 0.36 H new ATOM 0 HB2 ASN A 80 13.929 6.227 8.669 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.489 5.229 10.041 1.00 0.06 H new ATOM 0 HD21 ASN A 80 16.759 5.265 11.507 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 15.114 4.625 11.591 1.00 -0.80 H new ATOM 1287 N THR A 81 11.816 4.759 7.903 1.00 -0.73 N ATOM 1288 CA THR A 81 10.510 4.842 7.252 1.00 0.36 C ATOM 1289 C THR A 81 10.645 5.218 5.765 1.00 0.57 C ATOM 1290 O THR A 81 11.116 6.302 5.437 1.00 -0.57 O ATOM 1291 CB THR A 81 9.669 5.887 8.018 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.910 5.784 9.413 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.162 5.730 7.798 1.00 0.00 C ATOM 0 H THR A 81 11.891 5.409 8.686 1.00 -0.73 H new ATOM 0 HA THR A 81 10.018 3.870 7.280 1.00 0.36 H new ATOM 0 HB THR A 81 9.977 6.857 7.627 1.00 0.28 H new ATOM 0 HG1 THR A 81 9.373 6.452 9.888 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.630 6.495 8.364 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.936 5.840 6.737 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.846 4.743 8.136 1.00 0.00 H new ATOM 1301 N LEU A 82 10.199 4.347 4.856 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.336 4.509 3.410 1.00 0.36 C ATOM 1303 C LEU A 82 9.095 5.151 2.779 1.00 0.57 C ATOM 1304 O LEU A 82 9.198 5.899 1.805 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.560 3.132 2.761 1.00 0.00 C ATOM 1306 CG LEU A 82 11.869 2.437 3.183 1.00 0.00 C ATOM 1307 CD1 LEU A 82 11.770 1.507 4.396 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.333 1.536 2.052 1.00 0.00 C ATOM 0 H LEU A 82 9.719 3.485 5.116 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.186 5.168 3.235 1.00 0.36 H new ATOM 0 HB2 LEU A 82 9.721 2.484 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.558 3.249 1.677 1.00 0.00 H new ATOM 0 HG LEU A 82 12.538 3.261 3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.748 1.073 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.434 2.075 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.057 0.710 4.186 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.259 1.039 2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.568 0.787 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.505 2.134 1.157 1.00 0.00 H new ATOM 1320 N ALA A 83 7.910 4.839 3.313 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.638 5.342 2.830 1.00 0.36 C ATOM 1322 C ALA A 83 5.612 5.235 3.947 1.00 0.57 C ATOM 1323 O ALA A 83 5.785 4.445 4.871 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.199 4.548 1.601 1.00 0.00 C ATOM 0 H ALA A 83 7.816 4.213 4.113 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.733 6.387 2.536 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.243 4.931 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.948 4.650 0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.092 3.496 1.866 1.00 0.00 H new ATOM 1330 N HIS A 84 4.548 6.022 3.878 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.489 5.995 4.870 1.00 0.36 C ATOM 1332 C HIS A 84 2.148 6.223 4.183 1.00 0.57 C ATOM 1333 O HIS A 84 2.082 6.739 3.065 1.00 -0.57 O ATOM 1334 CB HIS A 84 3.782 6.991 6.012 1.00 0.17 C ATOM 1335 CG HIS A 84 4.073 8.431 5.641 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.596 9.387 6.486 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.836 9.061 4.446 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.656 10.552 5.822 1.00 0.65 C ATOM 1339 NE2 HIS A 84 4.211 10.397 4.567 1.00 -0.70 N ATOM 0 H HIS A 84 4.397 6.698 3.129 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.441 5.015 5.345 1.00 0.36 H new ATOM 0 HB2 HIS A 84 2.926 6.986 6.687 1.00 0.17 H new ATOM 0 HB3 HIS A 84 4.635 6.612 6.575 1.00 0.17 H new ATOM 0 HD2 HIS A 84 3.427 8.599 3.560 1.00 0.20 H new ATOM 0 HE1 HIS A 84 5.012 11.482 6.240 1.00 0.65 H new ATOM 0 HE2 HIS A 84 4.158 11.115 3.844 1.00 -0.70 H new ATOM 1348 N ALA A 85 1.070 5.863 4.873 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.281 5.979 4.368 1.00 0.36 C ATOM 1350 C ALA A 85 -1.217 6.233 5.536 1.00 0.57 C ATOM 1351 O ALA A 85 -0.857 6.017 6.699 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.652 4.690 3.627 1.00 0.00 C ATOM 0 H ALA A 85 1.119 5.476 5.816 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.364 6.810 3.668 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.669 4.771 3.244 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.037 4.536 2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.589 3.845 4.313 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.428 6.678 5.214 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.433 7.019 6.204 1.00 0.36 C ATOM 1360 C PHE A 86 -4.633 6.086 6.013 1.00 0.57 C ATOM 1361 O PHE A 86 -4.851 5.572 4.917 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.775 8.514 6.079 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.585 9.429 5.773 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.461 9.495 6.620 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.561 10.152 4.570 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.348 10.286 6.267 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.457 10.940 4.211 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.348 11.018 5.068 1.00 -0.15 C ATOM 0 H PHE A 86 -2.737 6.811 4.251 1.00 -0.73 H new ATOM 0 HA PHE A 86 -3.074 6.873 7.223 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.519 8.636 5.292 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.238 8.844 7.009 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.452 8.937 7.545 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.411 10.101 3.906 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.509 10.329 6.922 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.460 11.485 3.278 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.499 11.636 4.808 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.405 5.845 7.078 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.624 5.039 7.000 1.00 0.36 C ATOM 1380 C ALA A 87 -7.658 5.753 6.123 1.00 0.57 C ATOM 1381 O ALA A 87 -7.658 6.984 6.113 1.00 -0.57 O ATOM 1382 CB ALA A 87 -7.199 4.843 8.408 1.00 0.00 C ATOM 0 H ALA A 87 -5.203 6.201 8.012 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.387 4.068 6.564 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -8.107 4.243 8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.466 4.333 9.033 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.433 5.814 8.844 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.543 5.034 5.412 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.567 5.656 4.591 1.00 0.36 C ATOM 1390 C PRO A 88 -10.597 6.387 5.443 1.00 0.57 C ATOM 1391 O PRO A 88 -10.763 6.121 6.633 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.205 4.533 3.785 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.893 3.257 4.543 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.706 3.593 5.448 1.00 0.30 C ATOM 0 HA PRO A 88 -9.137 6.413 3.935 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.281 4.680 3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.799 4.497 2.774 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.752 2.930 5.129 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.646 2.445 3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.888 3.250 6.467 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.802 3.093 5.100 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.321 7.297 4.797 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.356 8.081 5.431 1.00 0.36 C ATOM 1404 C GLY A 89 -12.875 9.090 4.423 1.00 0.57 C ATOM 1405 O GLY A 89 -13.581 8.710 3.492 1.00 -0.57 O ATOM 0 H GLY A 89 -11.197 7.507 3.807 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.165 7.436 5.773 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.961 8.591 6.310 1.00 0.36 H new ATOM 1409 N THR A 90 -12.524 10.367 4.601 1.00 -0.73 N ATOM 1410 CA THR A 90 -13.168 11.490 3.918 1.00 0.36 C ATOM 1411 C THR A 90 -12.189 12.666 3.749 1.00 0.57 C ATOM 1412 O THR A 90 -12.323 13.697 4.414 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.463 11.909 4.660 1.00 0.28 C ATOM 1414 OG1 THR A 90 -14.229 12.187 6.035 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -15.583 10.863 4.596 1.00 0.00 C ATOM 0 H THR A 90 -11.775 10.652 5.232 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.456 11.170 2.917 1.00 0.36 H new ATOM 0 HB THR A 90 -14.783 12.806 4.131 1.00 0.28 H new ATOM 0 HG1 THR A 90 -13.494 12.830 6.118 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -16.455 11.230 5.138 1.00 0.00 H new ATOM 0 HG22 THR A 90 -15.852 10.682 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 90 -15.239 9.933 5.049 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.169 12.513 2.890 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.207 13.574 2.597 1.00 0.36 C ATOM 1425 C GLY A 91 -8.820 12.987 2.378 1.00 0.57 C ATOM 1426 O GLY A 91 -8.647 12.150 1.494 1.00 -0.57 O ATOM 0 H GLY A 91 -10.992 11.647 2.381 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.521 14.123 1.709 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.181 14.288 3.421 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.847 13.428 3.193 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.499 12.857 3.272 1.00 0.36 C ATOM 1432 C LEU A 92 -6.520 11.375 3.677 1.00 0.57 C ATOM 1433 O LEU A 92 -5.546 10.675 3.447 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.669 13.649 4.302 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.140 13.415 4.194 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.455 14.549 3.419 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.519 13.289 5.591 1.00 0.00 C ATOM 0 H LEU A 92 -7.984 14.212 3.830 1.00 -0.73 H new ATOM 0 HA LEU A 92 -6.053 12.926 2.280 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.873 14.712 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.998 13.377 5.305 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.985 12.485 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.384 14.355 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.869 14.603 2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.625 15.495 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.445 13.125 5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.699 14.205 6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.971 12.447 6.115 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.585 10.885 4.319 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.701 9.472 4.648 1.00 0.36 C ATOM 1451 C GLY A 93 -7.515 8.604 3.404 1.00 0.57 C ATOM 1452 O GLY A 93 -8.172 8.868 2.405 1.00 -0.57 O ATOM 0 H GLY A 93 -8.378 11.452 4.619 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -6.954 9.206 5.396 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.678 9.277 5.090 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.653 7.580 3.487 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.308 6.631 2.431 1.00 0.36 C ATOM 1458 C GLY A 94 -5.035 7.007 1.682 1.00 0.57 C ATOM 1459 O GLY A 94 -4.264 6.127 1.298 1.00 -0.57 O ATOM 0 H GLY A 94 -6.148 7.384 4.352 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.186 5.640 2.867 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.134 6.568 1.723 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.837 8.309 1.476 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.756 8.922 0.715 1.00 0.36 C ATOM 1465 C ASP A 95 -2.440 8.408 1.308 1.00 0.57 C ATOM 1466 O ASP A 95 -2.332 8.131 2.506 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.876 10.484 0.742 1.00 0.06 C ATOM 1468 CG ASP A 95 -5.286 11.027 0.389 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -6.256 10.345 0.677 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.504 12.190 -0.218 1.00 -0.65 O ATOM 0 H ASP A 95 -5.472 9.007 1.864 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.802 8.648 -0.339 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.602 10.840 1.735 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -3.153 10.903 0.042 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.438 8.233 0.451 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.186 7.611 0.825 1.00 0.36 C ATOM 1478 C ALA A 96 0.943 8.334 0.135 1.00 0.57 C ATOM 1479 O ALA A 96 0.810 8.814 -0.995 1.00 -0.57 O ATOM 1480 CB ALA A 96 -0.190 6.127 0.451 1.00 0.00 C ATOM 0 H ALA A 96 -1.479 8.523 -0.526 1.00 -0.73 H new ATOM 0 HA ALA A 96 -0.052 7.679 1.905 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.760 5.676 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.004 5.623 0.972 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.328 6.023 -0.625 1.00 0.00 H new ATOM 1486 N HIS A 97 2.078 8.399 0.818 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.221 9.120 0.320 1.00 0.36 C ATOM 1488 C HIS A 97 4.498 8.343 0.604 1.00 0.57 C ATOM 1489 O HIS A 97 4.537 7.483 1.481 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.312 10.511 0.926 1.00 0.17 C ATOM 1491 CG HIS A 97 2.063 11.333 1.079 1.00 0.18 C ATOM 1492 ND1 HIS A 97 1.830 12.081 2.206 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.062 11.588 0.183 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.699 12.778 2.012 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.197 12.471 0.798 1.00 -0.70 N ATOM 0 H HIS A 97 2.223 7.954 1.724 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.099 9.231 -0.757 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.759 10.408 1.915 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.010 11.087 0.319 1.00 0.17 H new ATOM 0 HD1 HIS A 97 2.413 12.103 3.043 1.00 -0.70 H new ATOM 0 HD2 HIS A 97 0.967 11.179 -0.812 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.262 13.472 2.714 1.00 0.65 H new ATOM 0 HE2 HIS A 97 -0.672 12.830 0.403 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.549 8.678 -0.131 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.742 7.859 -0.279 1.00 0.36 C ATOM 1506 C PHE A 98 7.959 8.785 -0.320 1.00 0.57 C ATOM 1507 O PHE A 98 7.850 9.915 -0.800 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.612 7.104 -1.608 1.00 0.14 C ATOM 1509 CG PHE A 98 5.554 6.008 -1.679 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.189 6.326 -1.834 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.935 4.656 -1.603 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.214 5.315 -1.812 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.960 3.644 -1.601 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.601 3.973 -1.699 1.00 -0.15 C ATOM 0 H PHE A 98 5.596 9.552 -0.655 1.00 -0.73 H new ATOM 0 HA PHE A 98 6.856 7.155 0.545 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.400 7.831 -2.392 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.579 6.658 -1.840 1.00 0.14 H new ATOM 0 HD1 PHE A 98 3.891 7.355 -1.971 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.981 4.395 -1.546 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.167 5.572 -1.882 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.259 2.609 -1.524 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.854 3.194 -1.687 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.112 8.325 0.177 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.362 9.078 0.068 1.00 0.36 C ATOM 1526 C ASP A 99 10.947 8.771 -1.323 1.00 0.57 C ATOM 1527 O ASP A 99 11.543 7.718 -1.516 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.356 8.699 1.197 1.00 0.06 C ATOM 1529 CG ASP A 99 11.684 9.777 2.242 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.029 9.389 3.346 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 11.666 11.049 1.853 1.00 -0.65 O ATOM 0 H ASP A 99 9.203 7.431 0.660 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.176 10.146 0.181 1.00 0.36 H new ATOM 0 HB2 ASP A 99 10.955 7.832 1.722 1.00 0.06 H new ATOM 0 HB3 ASP A 99 12.291 8.386 0.732 1.00 0.06 H new ATOM 1537 N GLU A 100 10.791 9.656 -2.318 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.453 9.572 -3.632 1.00 0.36 C ATOM 1539 C GLU A 100 12.981 9.469 -3.486 1.00 0.57 C ATOM 1540 O GLU A 100 13.654 8.938 -4.367 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.116 10.810 -4.496 1.00 0.00 C ATOM 1542 CG GLU A 100 11.315 10.532 -6.001 1.00 0.06 C ATOM 1543 CD GLU A 100 11.315 11.803 -6.868 1.00 0.66 C ATOM 1544 OE1 GLU A 100 10.279 12.446 -6.918 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 12.424 12.128 -7.526 1.00 -0.65 O ATOM 0 H GLU A 100 10.185 10.472 -2.231 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.081 8.671 -4.120 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.083 11.109 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.747 11.646 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.259 10.006 -6.143 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.524 9.867 -6.347 1.00 0.06 H new ATOM 1553 N ASP A 101 13.522 9.983 -2.372 1.00 -0.73 N ATOM 1554 CA ASP A 101 14.946 9.921 -2.042 1.00 0.36 C ATOM 1555 C ASP A 101 15.417 8.460 -1.965 1.00 0.57 C ATOM 1556 O ASP A 101 16.518 8.119 -2.402 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.194 10.644 -0.703 1.00 0.06 C ATOM 1558 CG ASP A 101 16.622 11.216 -0.610 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.535 10.427 -0.431 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 16.790 12.529 -0.737 1.00 -0.65 O ATOM 0 H ASP A 101 12.967 10.463 -1.663 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.518 10.418 -2.826 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.472 11.452 -0.589 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.028 9.949 0.120 1.00 0.06 H new ATOM 1566 N GLU A 102 14.548 7.587 -1.441 1.00 -0.73 N ATOM 1567 CA GLU A 102 14.824 6.171 -1.299 1.00 0.36 C ATOM 1568 C GLU A 102 14.708 5.550 -2.681 1.00 0.57 C ATOM 1569 O GLU A 102 13.666 5.632 -3.322 1.00 -0.57 O ATOM 1570 CB GLU A 102 13.827 5.515 -0.339 1.00 0.00 C ATOM 1571 CG GLU A 102 13.800 6.176 1.038 1.00 0.06 C ATOM 1572 CD GLU A 102 14.299 5.300 2.171 1.00 0.66 C ATOM 1573 OE1 GLU A 102 13.712 5.449 3.230 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.378 4.544 1.985 1.00 -0.65 O ATOM 0 H GLU A 102 13.625 7.858 -1.103 1.00 -0.73 H new ATOM 0 HA GLU A 102 15.821 6.019 -0.885 1.00 0.36 H new ATOM 0 HB2 GLU A 102 12.829 5.557 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.081 4.461 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 102 14.406 7.082 1.003 1.00 0.06 H new ATOM 0 HG3 GLU A 102 12.778 6.484 1.258 1.00 0.06 H new ATOM 1582 N ARG A 103 15.792 4.947 -3.163 1.00 -0.73 N ATOM 1583 CA ARG A 103 15.853 4.385 -4.505 1.00 0.36 C ATOM 1584 C ARG A 103 14.730 3.367 -4.704 1.00 0.57 C ATOM 1585 O ARG A 103 14.661 2.392 -3.964 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.246 3.773 -4.709 1.00 0.00 C ATOM 1587 CG ARG A 103 17.802 4.070 -6.102 1.00 0.00 C ATOM 1588 CD ARG A 103 19.324 4.202 -6.023 1.00 0.33 C ATOM 1589 NE ARG A 103 19.871 4.757 -7.266 1.00 -0.84 N ATOM 1590 CZ ARG A 103 20.164 4.067 -8.376 1.00 1.20 C ATOM 1591 NH1 ARG A 103 19.988 2.748 -8.428 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 20.649 4.710 -9.437 1.00 -0.97 N ATOM 0 H ARG A 103 16.654 4.835 -2.630 1.00 -0.73 H new ATOM 0 HA ARG A 103 15.703 5.160 -5.257 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.928 4.165 -3.955 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.194 2.694 -4.562 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.530 3.271 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 103 17.366 4.990 -6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.593 4.844 -5.185 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.767 3.225 -5.831 1.00 0.33 H new ATOM 0 HE ARG A 103 20.044 5.762 -7.287 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 19.625 2.249 -7.615 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 20.216 2.236 -9.280 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 20.794 5.719 -9.399 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 20.875 4.193 -10.287 1.00 -0.97 H new ATOM 1606 N TRP A 104 13.874 3.565 -5.706 1.00 -0.73 N ATOM 1607 CA TRP A 104 12.708 2.719 -5.927 1.00 0.36 C ATOM 1608 C TRP A 104 12.947 1.893 -7.181 1.00 0.57 C ATOM 1609 O TRP A 104 13.345 2.458 -8.196 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.464 3.594 -6.107 1.00 0.18 C ATOM 1611 CG TRP A 104 11.003 4.344 -4.898 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.111 5.675 -4.692 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.440 3.797 -3.669 1.00 0.00 C ATOM 1614 NE1 TRP A 104 10.681 5.980 -3.418 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.257 4.864 -2.741 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.133 2.496 -3.217 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 9.795 4.658 -1.434 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.663 2.280 -1.911 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.481 3.355 -1.021 1.00 -0.15 C ATOM 0 H TRP A 104 13.972 4.318 -6.387 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.551 2.061 -5.072 1.00 0.36 H new ATOM 0 HB2 TRP A 104 11.663 4.314 -6.901 1.00 0.18 H new ATOM 0 HB3 TRP A 104 10.646 2.960 -6.449 1.00 0.18 H new ATOM 0 HD1 TRP A 104 11.478 6.390 -5.414 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 10.678 6.922 -3.026 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.261 1.656 -3.883 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.682 5.490 -0.755 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.438 1.275 -1.585 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.102 3.178 -0.026 1.00 -0.15 H new ATOM 1630 N THR A 105 12.670 0.588 -7.141 1.00 -0.73 N ATOM 1631 CA THR A 105 12.866 -0.295 -8.286 1.00 0.36 C ATOM 1632 C THR A 105 11.667 -1.234 -8.407 1.00 0.57 C ATOM 1633 O THR A 105 11.050 -1.604 -7.405 1.00 -0.57 O ATOM 1634 CB THR A 105 14.217 -1.032 -8.163 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.413 -1.911 -9.250 1.00 -0.68 O ATOM 1636 CG2 THR A 105 14.356 -1.872 -6.894 1.00 0.00 C ATOM 0 H THR A 105 12.304 0.117 -6.314 1.00 -0.73 H new ATOM 0 HA THR A 105 12.918 0.279 -9.211 1.00 0.36 H new ATOM 0 HB THR A 105 14.958 -0.233 -8.141 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.276 -2.365 -9.152 1.00 -0.68 H new ATOM 0 HG21 THR A 105 15.332 -2.357 -6.884 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.261 -1.228 -6.019 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.574 -2.631 -6.872 1.00 0.00 H new ATOM 1644 N ASP A 106 11.347 -1.610 -9.650 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.319 -2.598 -9.961 1.00 0.36 C ATOM 1646 C ASP A 106 10.695 -3.993 -9.450 1.00 0.57 C ATOM 1647 O ASP A 106 9.806 -4.798 -9.173 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.094 -2.639 -11.482 1.00 0.06 C ATOM 1649 CG ASP A 106 11.255 -3.272 -12.249 1.00 0.66 C ATOM 1650 OD1 ASP A 106 11.207 -4.472 -12.465 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 12.230 -2.448 -12.624 1.00 -0.65 O ATOM 0 H ASP A 106 11.804 -1.228 -10.478 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.400 -2.301 -9.455 1.00 0.36 H new ATOM 0 HB2 ASP A 106 9.182 -3.197 -11.692 1.00 0.06 H new ATOM 0 HB3 ASP A 106 9.938 -1.624 -11.847 1.00 0.06 H new ATOM 1657 N GLY A 107 12.003 -4.254 -9.315 1.00 -0.73 N ATOM 1658 CA GLY A 107 12.561 -5.521 -8.870 1.00 0.36 C ATOM 1659 C GLY A 107 13.027 -5.413 -7.420 1.00 0.57 C ATOM 1660 O GLY A 107 12.362 -4.783 -6.598 1.00 -0.57 O ATOM 0 H GLY A 107 12.720 -3.558 -9.522 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.813 -6.308 -8.961 1.00 0.36 H new ATOM 0 HA3 GLY A 107 13.398 -5.802 -9.509 1.00 0.36 H new ATOM 1664 N SER A 108 14.163 -6.037 -7.086 1.00 -0.73 N ATOM 1665 CA SER A 108 14.750 -5.935 -5.751 1.00 0.36 C ATOM 1666 C SER A 108 16.233 -6.328 -5.810 1.00 0.57 C ATOM 1667 O SER A 108 16.544 -7.512 -5.947 1.00 -0.57 O ATOM 1668 CB SER A 108 13.961 -6.847 -4.799 1.00 0.28 C ATOM 1669 OG SER A 108 14.101 -6.440 -3.457 1.00 -0.68 O ATOM 0 H SER A 108 14.695 -6.622 -7.730 1.00 -0.73 H new ATOM 0 HA SER A 108 14.693 -4.911 -5.381 1.00 0.36 H new ATOM 0 HB2 SER A 108 12.907 -6.837 -5.075 1.00 0.28 H new ATOM 0 HB3 SER A 108 14.309 -7.874 -4.907 1.00 0.28 H new ATOM 0 HG SER A 108 13.586 -7.040 -2.878 1.00 -0.68 H new ATOM 1675 N SER A 109 17.152 -5.347 -5.765 1.00 -0.73 N ATOM 1676 CA SER A 109 18.610 -5.579 -5.780 1.00 0.36 C ATOM 1677 C SER A 109 19.409 -4.270 -5.657 1.00 0.57 C ATOM 1678 O SER A 109 20.487 -4.231 -5.054 1.00 -0.57 O ATOM 1679 CB SER A 109 19.035 -6.249 -7.101 1.00 0.28 C ATOM 1680 OG SER A 109 20.123 -7.133 -6.922 1.00 -0.68 O ATOM 0 H SER A 109 16.902 -4.359 -5.717 1.00 -0.73 H new ATOM 0 HA SER A 109 18.825 -6.219 -4.924 1.00 0.36 H new ATOM 0 HB2 SER A 109 18.189 -6.795 -7.518 1.00 0.28 H new ATOM 0 HB3 SER A 109 19.307 -5.481 -7.825 1.00 0.28 H new ATOM 0 HG SER A 109 20.360 -7.538 -7.782 1.00 -0.68 H new ATOM 1686 N LEU A 110 18.897 -3.192 -6.268 1.00 -0.73 N ATOM 1687 CA LEU A 110 19.548 -1.882 -6.255 1.00 0.36 C ATOM 1688 C LEU A 110 18.826 -0.966 -5.281 1.00 0.57 C ATOM 1689 O LEU A 110 19.427 -0.485 -4.327 1.00 -0.57 O ATOM 1690 CB LEU A 110 19.540 -1.249 -7.654 1.00 0.00 C ATOM 1691 CG LEU A 110 20.499 -1.944 -8.640 1.00 0.00 C ATOM 1692 CD1 LEU A 110 19.723 -2.748 -9.692 1.00 0.00 C ATOM 1693 CD2 LEU A 110 21.393 -0.905 -9.326 1.00 0.00 C ATOM 0 H LEU A 110 18.018 -3.208 -6.785 1.00 -0.73 H new ATOM 0 HA LEU A 110 20.584 -2.016 -5.943 1.00 0.36 H new ATOM 0 HB2 LEU A 110 18.527 -1.284 -8.056 1.00 0.00 H new ATOM 0 HB3 LEU A 110 19.814 -0.197 -7.571 1.00 0.00 H new ATOM 0 HG LEU A 110 21.123 -2.637 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 110 20.425 -3.227 -10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 110 19.121 -3.510 -9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 110 19.071 -2.079 -10.254 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.067 -1.407 -10.021 1.00 0.00 H new ATOM 0 HD22 LEU A 110 20.772 -0.195 -9.872 1.00 0.00 H new ATOM 0 HD23 LEU A 110 21.977 -0.374 -8.574 1.00 0.00 H new ATOM 1705 N GLY A 111 17.534 -0.755 -5.525 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.667 0.007 -4.654 1.00 0.36 C ATOM 1707 C GLY A 111 15.705 -0.919 -3.933 1.00 0.57 C ATOM 1708 O GLY A 111 15.873 -2.142 -3.914 1.00 -0.57 O ATOM 0 H GLY A 111 17.060 -1.119 -6.351 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.263 0.560 -3.929 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.110 0.742 -5.235 1.00 0.36 H new ATOM 1712 N ILE A 112 14.682 -0.302 -3.359 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.618 -0.962 -2.637 1.00 0.36 C ATOM 1714 C ILE A 112 12.541 -1.408 -3.618 1.00 0.57 C ATOM 1715 O ILE A 112 12.215 -0.693 -4.572 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.065 0.038 -1.618 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.167 0.409 -0.595 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.841 -0.520 -0.888 1.00 0.00 C ATOM 1719 CD1 ILE A 112 14.468 1.906 -0.633 1.00 0.00 C ATOM 0 H ILE A 112 14.572 0.712 -3.388 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.979 -1.850 -2.118 1.00 0.36 H new ATOM 0 HB ILE A 112 12.752 0.931 -2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.848 0.124 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 112 15.075 -0.154 -0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.476 0.217 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 112 11.057 -0.743 -1.611 1.00 0.00 H new ATOM 0 HG23 ILE A 112 12.117 -1.432 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.245 2.139 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 112 14.810 2.183 -1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 112 13.564 2.465 -0.391 1.00 0.00 H new ATOM 1731 N ASN A 113 11.957 -2.570 -3.319 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.866 -3.136 -4.086 1.00 0.36 C ATOM 1733 C ASN A 113 9.617 -2.255 -4.003 1.00 0.57 C ATOM 1734 O ASN A 113 8.932 -2.216 -2.975 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.566 -4.559 -3.605 1.00 0.06 C ATOM 1736 CG ASN A 113 9.488 -5.204 -4.472 1.00 0.57 C ATOM 1737 OD1 ASN A 113 9.027 -4.651 -5.459 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 8.993 -6.366 -4.096 1.00 -0.80 N ATOM 0 H ASN A 113 12.239 -3.145 -2.525 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.168 -3.179 -5.133 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.475 -5.159 -3.639 1.00 0.06 H new ATOM 0 HB3 ASN A 113 10.238 -4.536 -2.566 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.234 -6.793 -4.627 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 9.369 -6.838 -3.274 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.298 -1.594 -5.118 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.084 -0.802 -5.266 1.00 0.36 C ATOM 1747 C PHE A 114 6.827 -1.642 -5.092 1.00 0.57 C ATOM 1748 O PHE A 114 5.827 -1.126 -4.607 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.021 -0.184 -6.667 1.00 0.14 C ATOM 1750 CG PHE A 114 7.654 1.281 -6.696 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.523 1.789 -6.026 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 8.492 2.149 -7.406 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 6.228 3.163 -6.088 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 8.220 3.520 -7.429 1.00 -0.15 C ATOM 1755 CZ PHE A 114 7.073 4.023 -6.809 1.00 -0.15 C ATOM 0 H PHE A 114 9.886 -1.596 -5.952 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.122 -0.035 -4.492 1.00 0.36 H new ATOM 0 HB2 PHE A 114 8.990 -0.311 -7.149 1.00 0.14 H new ATOM 0 HB3 PHE A 114 7.294 -0.738 -7.261 1.00 0.14 H new ATOM 0 HD1 PHE A 114 5.883 1.124 -5.465 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 9.349 1.759 -7.936 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 5.357 3.555 -5.584 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 8.900 4.194 -7.929 1.00 -0.15 H new ATOM 0 HZ PHE A 114 6.836 5.074 -6.884 1.00 -0.15 H new ATOM 1765 N LEU A 115 6.850 -2.908 -5.522 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.672 -3.759 -5.493 1.00 0.36 C ATOM 1767 C LEU A 115 5.286 -3.967 -4.032 1.00 0.57 C ATOM 1768 O LEU A 115 4.151 -3.693 -3.659 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.977 -5.092 -6.207 1.00 0.00 C ATOM 1770 CG LEU A 115 4.799 -5.766 -6.951 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.429 -5.763 -6.260 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.625 -5.108 -8.315 1.00 0.00 C ATOM 0 H LEU A 115 7.683 -3.362 -5.896 1.00 -0.73 H new ATOM 0 HA LEU A 115 4.835 -3.299 -6.019 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.778 -4.918 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.359 -5.795 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 115 5.096 -6.814 -6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.700 -6.268 -6.894 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.502 -6.284 -5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.110 -4.735 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.796 -5.579 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.414 -4.047 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.540 -5.227 -8.896 1.00 0.00 H new ATOM 1784 N TYR A 116 6.253 -4.379 -3.199 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.065 -4.545 -1.764 1.00 0.36 C ATOM 1786 C TYR A 116 5.605 -3.240 -1.143 1.00 0.57 C ATOM 1787 O TYR A 116 4.625 -3.251 -0.407 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.361 -5.043 -1.129 1.00 0.14 C ATOM 1789 CG TYR A 116 7.252 -5.500 0.315 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.962 -6.847 0.608 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.531 -4.605 1.364 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.982 -7.308 1.940 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.544 -5.052 2.696 1.00 -0.15 C ATOM 1794 CZ TYR A 116 7.264 -6.403 2.993 1.00 0.08 C ATOM 1795 OH TYR A 116 7.282 -6.786 4.300 1.00 -0.53 O ATOM 0 H TYR A 116 7.196 -4.607 -3.514 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.290 -5.289 -1.581 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.742 -5.872 -1.726 1.00 0.14 H new ATOM 0 HB3 TYR A 116 8.101 -4.245 -1.184 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.723 -7.531 -0.193 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 7.736 -3.568 1.144 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.783 -8.347 2.157 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 7.769 -4.360 3.494 1.00 -0.15 H new ATOM 0 HH TYR A 116 6.836 -7.654 4.393 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.259 -2.125 -1.485 1.00 -0.73 N ATOM 1806 CA ALA A 117 5.895 -0.816 -0.970 1.00 0.36 C ATOM 1807 C ALA A 117 4.444 -0.484 -1.297 1.00 0.57 C ATOM 1808 O ALA A 117 3.654 -0.254 -0.390 1.00 -0.57 O ATOM 1809 CB ALA A 117 6.847 0.237 -1.541 1.00 0.00 C ATOM 0 H ALA A 117 7.053 -2.112 -2.126 1.00 -0.73 H new ATOM 0 HA ALA A 117 5.987 -0.822 0.116 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.576 1.220 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 117 7.869 0.001 -1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.775 0.241 -2.629 1.00 0.00 H new ATOM 1815 N ALA A 118 4.082 -0.509 -2.578 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.743 -0.202 -3.031 1.00 0.36 C ATOM 1817 C ALA A 118 1.744 -1.148 -2.376 1.00 0.57 C ATOM 1818 O ALA A 118 0.854 -0.660 -1.699 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.691 -0.262 -4.559 1.00 0.00 C ATOM 0 H ALA A 118 4.724 -0.747 -3.334 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.469 0.810 -2.734 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.681 -0.030 -4.898 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.389 0.464 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.965 -1.262 -4.893 1.00 0.00 H new ATOM 1825 N THR A 119 1.902 -2.470 -2.494 1.00 -0.73 N ATOM 1826 CA THR A 119 0.990 -3.450 -1.903 1.00 0.36 C ATOM 1827 C THR A 119 0.883 -3.285 -0.379 1.00 0.57 C ATOM 1828 O THR A 119 -0.211 -3.470 0.153 1.00 -0.57 O ATOM 1829 CB THR A 119 1.463 -4.854 -2.313 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.493 -4.917 -3.718 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.574 -6.024 -1.885 1.00 0.00 C ATOM 0 H THR A 119 2.675 -2.893 -3.008 1.00 -0.73 H new ATOM 0 HA THR A 119 -0.020 -3.290 -2.280 1.00 0.36 H new ATOM 0 HB THR A 119 2.424 -4.969 -1.812 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.345 -4.559 -4.043 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.012 -6.960 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.494 -6.042 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.418 -5.905 -2.320 1.00 0.00 H new ATOM 1839 N HIS A 120 1.968 -2.897 0.309 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.960 -2.564 1.729 1.00 0.36 C ATOM 1841 C HIS A 120 1.119 -1.300 1.962 1.00 0.57 C ATOM 1842 O HIS A 120 0.136 -1.345 2.703 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.419 -2.454 2.237 1.00 0.17 C ATOM 1844 CG HIS A 120 3.604 -2.201 3.714 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.484 -2.851 4.565 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.943 -1.270 4.459 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.303 -2.343 5.804 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.360 -1.384 5.759 1.00 -0.70 N ATOM 0 H HIS A 120 2.889 -2.806 -0.120 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.486 -3.352 2.314 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.939 -3.377 1.982 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.911 -1.650 1.690 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.148 -3.580 4.304 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.215 -0.564 4.088 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.832 -2.657 6.691 1.00 0.65 H new ATOM 1857 N GLU A 121 1.489 -0.165 1.357 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.856 1.128 1.620 1.00 0.36 C ATOM 1859 C GLU A 121 -0.606 1.142 1.152 1.00 0.57 C ATOM 1860 O GLU A 121 -1.497 1.559 1.892 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.633 2.265 0.928 1.00 0.00 C ATOM 1862 CG GLU A 121 3.089 2.475 1.379 1.00 0.06 C ATOM 1863 CD GLU A 121 3.275 2.306 2.882 1.00 0.66 C ATOM 1864 OE1 GLU A 121 2.846 3.186 3.610 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 3.839 1.185 3.323 1.00 -0.65 O ATOM 0 H GLU A 121 2.240 -0.120 0.668 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.874 1.286 2.698 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.632 2.075 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 121 1.089 3.196 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.732 1.766 0.857 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.414 3.474 1.088 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.864 0.642 -0.058 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.202 0.491 -0.623 1.00 0.36 C ATOM 1875 C LEU A 122 -3.047 -0.471 0.199 1.00 0.57 C ATOM 1876 O LEU A 122 -4.259 -0.292 0.285 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.132 -0.044 -2.059 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.630 0.983 -3.088 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -1.272 0.236 -4.371 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -2.698 2.055 -3.353 1.00 0.00 C ATOM 0 H LEU A 122 -0.127 0.323 -0.687 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.660 1.480 -0.613 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.475 -0.914 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.123 -0.386 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.749 1.497 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.913 0.945 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.492 -0.495 -4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.156 -0.276 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.322 2.771 -4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.600 1.582 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.931 2.574 -2.423 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.421 -1.466 0.834 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.115 -2.303 1.787 1.00 0.36 C ATOM 1894 C GLY A 123 -3.771 -1.466 2.879 1.00 0.57 C ATOM 1895 O GLY A 123 -4.939 -1.674 3.205 1.00 -0.57 O ATOM 0 H GLY A 123 -1.438 -1.702 0.699 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -3.873 -2.893 1.272 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.414 -3.006 2.236 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.058 -0.451 3.382 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.624 0.467 4.356 1.00 0.36 C ATOM 1901 C HIS A 124 -4.604 1.444 3.728 1.00 0.57 C ATOM 1902 O HIS A 124 -5.616 1.721 4.376 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.540 1.254 5.087 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.582 0.359 5.814 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.884 -0.459 6.871 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.268 0.154 5.503 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.775 -1.143 7.187 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.250 -0.791 6.396 1.00 -0.70 N ATOM 0 H HIS A 124 -2.091 -0.252 3.126 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.162 -0.156 5.071 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -1.991 1.865 4.370 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -3.006 1.937 5.797 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.277 0.638 4.706 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.715 -1.880 7.974 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.208 -1.140 6.437 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.330 1.925 2.503 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.256 2.808 1.796 1.00 0.36 C ATOM 1919 C SER A 125 -6.629 2.151 1.712 1.00 0.57 C ATOM 1920 O SER A 125 -7.635 2.830 1.890 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.733 3.232 0.410 1.00 0.28 C ATOM 1922 OG SER A 125 -5.053 2.323 -0.626 1.00 -0.68 O ATOM 0 H SER A 125 -3.475 1.714 1.988 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.344 3.731 2.368 1.00 0.36 H new ATOM 0 HB2 SER A 125 -5.144 4.211 0.161 1.00 0.28 H new ATOM 0 HB3 SER A 125 -3.650 3.344 0.460 1.00 0.28 H new ATOM 0 HG SER A 125 -4.811 1.414 -0.350 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.668 0.829 1.492 1.00 -0.73 N ATOM 1929 CA LEU A 126 -7.898 0.064 1.399 1.00 0.36 C ATOM 1930 C LEU A 126 -8.732 0.144 2.682 1.00 0.57 C ATOM 1931 O LEU A 126 -9.955 0.293 2.615 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.578 -1.412 1.080 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.495 -2.032 0.016 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.983 -1.727 0.199 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -8.080 -1.563 -1.379 1.00 0.00 C ATOM 0 H LEU A 126 -5.828 0.262 1.373 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.489 0.501 0.594 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.544 -1.484 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.655 -1.996 1.997 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.372 -3.109 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.553 -2.205 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.317 -2.109 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.141 -0.649 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -8.738 -2.010 -2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.154 -0.477 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.052 -1.867 -1.574 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.075 0.029 3.843 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.768 -0.009 5.120 1.00 0.36 C ATOM 1949 C GLY A 127 -7.930 -0.536 6.271 1.00 0.57 C ATOM 1950 O GLY A 127 -8.445 -1.315 7.073 1.00 -0.57 O ATOM 0 H GLY A 127 -7.060 -0.039 3.915 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -9.109 0.997 5.365 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.657 -0.631 5.019 1.00 0.36 H new ATOM 1954 N MET A 128 -6.667 -0.104 6.365 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.684 -0.643 7.307 1.00 0.36 C ATOM 1956 C MET A 128 -5.353 -2.119 6.995 1.00 0.57 C ATOM 1957 O MET A 128 -5.930 -2.718 6.093 1.00 -0.57 O ATOM 1958 CB MET A 128 -6.166 -0.446 8.761 1.00 0.00 C ATOM 1959 CG MET A 128 -5.077 0.122 9.678 1.00 0.23 C ATOM 1960 SD MET A 128 -5.125 1.923 9.900 1.00 -0.46 S ATOM 1961 CE MET A 128 -4.340 2.516 8.382 1.00 0.23 C ATOM 0 H MET A 128 -6.295 0.643 5.778 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.754 -0.087 7.191 1.00 0.36 H new ATOM 0 HB2 MET A 128 -7.025 0.225 8.766 1.00 0.00 H new ATOM 0 HB3 MET A 128 -6.506 -1.402 9.158 1.00 0.00 H new ATOM 0 HG2 MET A 128 -5.163 -0.352 10.656 1.00 0.23 H new ATOM 0 HG3 MET A 128 -4.103 -0.154 9.274 1.00 0.23 H new ATOM 0 HE1 MET A 128 -4.258 3.602 8.415 1.00 0.23 H new ATOM 0 HE2 MET A 128 -3.345 2.080 8.292 1.00 0.23 H new ATOM 0 HE3 MET A 128 -4.943 2.224 7.522 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.405 -2.713 7.736 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.068 -4.129 7.570 1.00 0.36 C ATOM 1973 C GLY A 129 -2.597 -4.396 7.858 1.00 0.57 C ATOM 1974 O GLY A 129 -1.853 -4.697 6.938 1.00 -0.57 O ATOM 0 H GLY A 129 -3.861 -2.233 8.453 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.684 -4.730 8.238 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.302 -4.442 6.552 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.161 -4.225 9.107 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.786 -4.421 9.536 1.00 0.36 C ATOM 1980 C HIS A 130 -0.595 -5.829 10.111 1.00 0.57 C ATOM 1981 O HIS A 130 -1.549 -6.597 10.300 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.409 -3.332 10.568 1.00 0.17 C ATOM 1983 CG HIS A 130 0.658 -2.349 10.144 1.00 0.18 C ATOM 1984 ND1 HIS A 130 1.566 -2.481 9.127 1.00 -0.70 N flip ATOM 1985 CD2 HIS A 130 0.907 -1.130 10.734 1.00 0.20 C flip ATOM 1986 CE1 HIS A 130 2.376 -1.352 9.107 1.00 0.65 C flip ATOM 1987 NE2 HIS A 130 1.941 -0.558 10.094 1.00 -0.70 N flip ATOM 0 H HIS A 130 -2.778 -3.938 9.867 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.122 -4.329 8.677 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.310 -2.772 10.819 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.076 -3.826 11.481 1.00 0.17 H new ATOM 0 HD2 HIS A 130 0.365 -0.707 11.567 1.00 0.20 H new ATOM 0 HE1 HIS A 130 3.194 -1.154 8.430 1.00 0.65 H new ATOM 0 HE2 HIS A 130 2.338 0.352 10.327 1.00 -0.70 H new ATOM 1996 N SER A 131 0.665 -6.154 10.425 1.00 -0.73 N ATOM 1997 CA SER A 131 1.041 -7.414 11.036 1.00 0.36 C ATOM 1998 C SER A 131 2.417 -7.305 11.705 1.00 0.57 C ATOM 1999 O SER A 131 3.022 -6.233 11.728 1.00 -0.57 O ATOM 2000 CB SER A 131 0.991 -8.501 9.961 1.00 0.28 C ATOM 2001 OG SER A 131 1.145 -9.797 10.505 1.00 -0.68 O ATOM 0 H SER A 131 1.456 -5.533 10.255 1.00 -0.73 H new ATOM 0 HA SER A 131 0.343 -7.679 11.830 1.00 0.36 H new ATOM 0 HB2 SER A 131 0.041 -8.442 9.431 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.777 -8.321 9.228 1.00 0.28 H new ATOM 0 HG SER A 131 0.266 -10.222 10.591 1.00 -0.68 H new ATOM 2007 N SER A 132 2.872 -8.438 12.244 1.00 -0.73 N ATOM 2008 CA SER A 132 4.122 -8.660 12.957 1.00 0.36 C ATOM 2009 C SER A 132 4.583 -10.099 12.646 1.00 0.57 C ATOM 2010 O SER A 132 4.738 -10.926 13.552 1.00 -0.57 O ATOM 2011 CB SER A 132 3.916 -8.424 14.466 1.00 0.28 C ATOM 2012 OG SER A 132 3.976 -7.048 14.805 1.00 -0.68 O ATOM 0 H SER A 132 2.323 -9.296 12.185 1.00 -0.73 H new ATOM 0 HA SER A 132 4.895 -7.961 12.636 1.00 0.36 H new ATOM 0 HB2 SER A 132 2.950 -8.829 14.767 1.00 0.28 H new ATOM 0 HB3 SER A 132 4.678 -8.968 15.025 1.00 0.28 H new ATOM 0 HG SER A 132 3.839 -6.942 15.770 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.738 -10.415 11.350 1.00 -0.73 N ATOM 2019 CA ASP A 133 5.199 -11.720 10.858 1.00 0.36 C ATOM 2020 C ASP A 133 6.549 -11.520 10.155 1.00 0.57 C ATOM 2021 O ASP A 133 6.750 -10.460 9.558 1.00 -0.57 O ATOM 2022 CB ASP A 133 4.177 -12.330 9.870 1.00 0.06 C ATOM 2023 CG ASP A 133 3.994 -13.843 10.020 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.840 -14.283 11.148 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 4.061 -14.589 8.921 1.00 -0.65 O ATOM 0 H ASP A 133 4.541 -9.753 10.599 1.00 -0.73 H new ATOM 0 HA ASP A 133 5.304 -12.408 11.697 1.00 0.36 H new ATOM 0 HB2 ASP A 133 3.213 -11.842 10.013 1.00 0.06 H new ATOM 0 HB3 ASP A 133 4.497 -12.112 8.851 1.00 0.06 H new ATOM 2031 N PRO A 134 7.452 -12.520 10.138 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.782 -12.368 9.562 1.00 0.36 C ATOM 2033 C PRO A 134 8.718 -12.127 8.051 1.00 0.57 C ATOM 2034 O PRO A 134 9.595 -11.468 7.510 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.540 -13.657 9.897 1.00 0.00 C ATOM 2036 CG PRO A 134 8.467 -14.696 10.210 1.00 0.00 C ATOM 2037 CD PRO A 134 7.195 -13.905 10.489 1.00 0.30 C ATOM 0 HA PRO A 134 9.290 -11.496 9.974 1.00 0.36 H new ATOM 0 HB2 PRO A 134 10.161 -13.975 9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 134 10.204 -13.511 10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 134 8.327 -15.379 9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.748 -15.302 11.072 1.00 0.00 H new ATOM 0 HD2 PRO A 134 6.363 -14.300 9.905 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.915 -13.988 11.539 1.00 0.30 H new ATOM 2045 N ASN A 135 7.670 -12.603 7.375 1.00 -0.73 N ATOM 2046 CA ASN A 135 7.480 -12.443 5.937 1.00 0.36 C ATOM 2047 C ASN A 135 6.100 -11.813 5.701 1.00 0.57 C ATOM 2048 O ASN A 135 5.449 -12.104 4.695 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.647 -13.790 5.195 1.00 0.06 C ATOM 2050 CG ASN A 135 9.076 -14.343 5.115 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.887 -14.202 6.022 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 9.419 -15.021 4.022 1.00 -0.80 N ATOM 0 H ASN A 135 6.915 -13.121 7.825 1.00 -0.73 H new ATOM 0 HA ASN A 135 8.245 -11.783 5.529 1.00 0.36 H new ATOM 0 HB2 ASN A 135 7.019 -14.533 5.686 1.00 0.06 H new ATOM 0 HB3 ASN A 135 7.267 -13.672 4.180 1.00 0.06 H new ATOM 0 HD21 ASN A 135 10.354 -15.421 3.942 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 8.747 -15.141 3.264 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.619 -10.989 6.647 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.400 -10.230 6.422 1.00 0.36 C ATOM 2061 C ALA A 136 4.675 -9.259 5.278 1.00 0.57 C ATOM 2062 O ALA A 136 5.677 -8.539 5.259 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.910 -9.529 7.697 1.00 0.00 C ATOM 0 H ALA A 136 6.055 -10.840 7.557 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.583 -10.897 6.147 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.997 -8.975 7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.708 -10.274 8.467 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.677 -8.840 8.051 1.00 0.00 H new ATOM 2069 N VAL A 137 3.774 -9.233 4.306 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.772 -8.207 3.270 1.00 0.36 C ATOM 2071 C VAL A 137 3.602 -6.818 3.886 1.00 0.57 C ATOM 2072 O VAL A 137 4.199 -5.848 3.412 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.688 -8.539 2.251 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.338 -8.811 2.887 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.500 -7.428 1.219 1.00 0.00 C ATOM 0 H VAL A 137 3.026 -9.920 4.212 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.730 -8.192 2.751 1.00 0.36 H new ATOM 0 HB VAL A 137 3.045 -9.446 1.763 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.609 -9.041 2.110 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.421 -9.658 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 137 1.012 -7.930 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.717 -7.713 0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.215 -6.506 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.434 -7.272 0.678 1.00 0.00 H new ATOM 2085 N MET A 138 2.863 -6.735 4.995 1.00 -0.73 N ATOM 2086 CA MET A 138 2.696 -5.502 5.737 1.00 0.36 C ATOM 2087 C MET A 138 3.633 -5.450 6.955 1.00 0.57 C ATOM 2088 O MET A 138 3.346 -4.753 7.923 1.00 -0.57 O ATOM 2089 CB MET A 138 1.205 -5.271 6.032 1.00 0.00 C ATOM 2090 CG MET A 138 0.569 -4.360 4.970 1.00 0.23 C ATOM 2091 SD MET A 138 0.002 -5.202 3.467 1.00 -0.46 S ATOM 2092 CE MET A 138 -1.369 -6.190 4.126 1.00 0.23 C ATOM 0 H MET A 138 2.365 -7.529 5.398 1.00 -0.73 H new ATOM 0 HA MET A 138 3.009 -4.650 5.134 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.683 -6.227 6.056 1.00 0.00 H new ATOM 0 HB3 MET A 138 1.091 -4.821 7.018 1.00 0.00 H new ATOM 0 HG2 MET A 138 -0.279 -3.843 5.419 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.294 -3.597 4.688 1.00 0.23 H new ATOM 0 HE1 MET A 138 -1.822 -6.767 3.320 1.00 0.23 H new ATOM 0 HE2 MET A 138 -0.993 -6.869 4.891 1.00 0.23 H new ATOM 0 HE3 MET A 138 -2.117 -5.529 4.564 1.00 0.23 H new ATOM 2102 N TYR A 139 4.771 -6.155 6.932 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.740 -6.070 8.022 1.00 0.36 C ATOM 2104 C TYR A 139 6.341 -4.652 8.097 1.00 0.57 C ATOM 2105 O TYR A 139 6.747 -4.117 7.060 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.848 -7.112 7.819 1.00 0.14 C ATOM 2107 CG TYR A 139 7.764 -7.318 9.005 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.243 -7.588 10.287 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 9.155 -7.284 8.808 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.109 -7.799 11.374 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 10.025 -7.497 9.885 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.509 -7.765 11.172 1.00 0.08 C ATOM 2113 OH TYR A 139 10.362 -8.021 12.206 1.00 -0.53 O ATOM 0 H TYR A 139 5.038 -6.785 6.175 1.00 -0.73 H new ATOM 0 HA TYR A 139 5.231 -6.277 8.963 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.385 -8.066 7.568 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.452 -6.815 6.961 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.174 -7.633 10.435 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.555 -7.093 7.823 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 7.707 -7.986 12.359 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 11.093 -7.456 9.731 1.00 -0.15 H new ATOM 0 HH TYR A 139 11.287 -7.956 11.890 1.00 -0.53 H new ATOM 2123 N PRO A 140 6.400 -4.016 9.285 1.00 -0.66 N ATOM 2124 CA PRO A 140 7.197 -2.816 9.495 1.00 0.36 C ATOM 2125 C PRO A 140 8.693 -3.158 9.593 1.00 0.57 C ATOM 2126 O PRO A 140 9.045 -4.328 9.691 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.664 -2.193 10.788 1.00 0.00 C ATOM 2128 CG PRO A 140 6.038 -3.351 11.564 1.00 0.00 C ATOM 2129 CD PRO A 140 5.763 -4.434 10.523 1.00 0.30 C ATOM 0 HA PRO A 140 7.113 -2.118 8.662 1.00 0.36 H new ATOM 0 HB2 PRO A 140 7.466 -1.725 11.359 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.928 -1.417 10.577 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.712 -3.714 12.340 1.00 0.00 H new ATOM 0 HG3 PRO A 140 5.119 -3.040 12.060 1.00 0.00 H new ATOM 0 HD2 PRO A 140 6.159 -5.394 10.854 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.691 -4.564 10.378 1.00 0.30 H new ATOM 2137 N THR A 141 9.569 -2.141 9.618 1.00 -0.73 N ATOM 2138 CA THR A 141 11.027 -2.312 9.665 1.00 0.36 C ATOM 2139 C THR A 141 11.499 -3.256 8.546 1.00 0.57 C ATOM 2140 O THR A 141 11.787 -4.432 8.753 1.00 -0.57 O ATOM 2141 CB THR A 141 11.469 -2.685 11.099 1.00 0.28 C ATOM 2142 OG1 THR A 141 11.241 -1.565 11.938 1.00 -0.68 O ATOM 2143 CG2 THR A 141 12.951 -3.060 11.256 1.00 0.00 C ATOM 0 H THR A 141 9.279 -1.163 9.606 1.00 -0.73 H new ATOM 0 HA THR A 141 11.536 -1.372 9.451 1.00 0.36 H new ATOM 0 HB THR A 141 10.888 -3.569 11.361 1.00 0.28 H new ATOM 0 HG1 THR A 141 11.514 -1.782 12.854 1.00 -0.68 H new ATOM 0 HG21 THR A 141 13.156 -3.304 12.298 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.176 -3.924 10.630 1.00 0.00 H new ATOM 0 HG23 THR A 141 13.573 -2.219 10.951 1.00 0.00 H new ATOM 2151 N TYR A 142 11.543 -2.709 7.324 1.00 -0.73 N ATOM 2152 CA TYR A 142 11.987 -3.412 6.126 1.00 0.36 C ATOM 2153 C TYR A 142 13.301 -4.178 6.347 1.00 0.57 C ATOM 2154 O TYR A 142 14.321 -3.593 6.728 1.00 -0.57 O ATOM 2155 CB TYR A 142 12.158 -2.397 4.998 1.00 0.14 C ATOM 2156 CG TYR A 142 12.480 -3.020 3.655 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 11.444 -3.464 2.815 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 13.821 -3.156 3.249 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 11.738 -3.939 1.527 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 14.128 -3.680 1.982 1.00 -0.15 C ATOM 2161 CZ TYR A 142 13.084 -4.035 1.098 1.00 0.08 C ATOM 2162 OH TYR A 142 13.367 -4.470 -0.162 1.00 -0.53 O ATOM 0 H TYR A 142 11.264 -1.745 7.143 1.00 -0.73 H new ATOM 0 HA TYR A 142 11.230 -4.153 5.867 1.00 0.36 H new ATOM 0 HB2 TYR A 142 11.242 -1.813 4.906 1.00 0.14 H new ATOM 0 HB3 TYR A 142 12.954 -1.702 5.265 1.00 0.14 H new ATOM 0 HD1 TYR A 142 10.421 -3.440 3.161 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 14.617 -2.856 3.914 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 10.938 -4.231 0.863 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 15.158 -3.811 1.685 1.00 -0.15 H new ATOM 0 HH TYR A 142 14.338 -4.476 -0.296 1.00 -0.53 H new ATOM 2172 N GLY A 143 13.279 -5.479 6.045 1.00 -0.73 N ATOM 2173 CA GLY A 143 14.426 -6.368 6.180 1.00 0.36 C ATOM 2174 C GLY A 143 14.046 -7.590 7.005 1.00 0.57 C ATOM 2175 O GLY A 143 13.743 -7.442 8.187 1.00 -0.57 O ATOM 0 H GLY A 143 12.445 -5.949 5.693 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.773 -6.678 5.195 1.00 0.36 H new ATOM 0 HA3 GLY A 143 15.251 -5.840 6.657 1.00 0.36 H new ATOM 2179 N ASN A 144 14.053 -8.784 6.388 1.00 -0.73 N ATOM 2180 CA ASN A 144 13.765 -10.051 7.070 1.00 0.36 C ATOM 2181 C ASN A 144 13.878 -11.248 6.113 1.00 0.57 C ATOM 2182 O ASN A 144 14.420 -12.299 6.466 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.327 -10.049 7.630 1.00 0.06 C ATOM 2184 CG ASN A 144 12.304 -10.452 9.100 1.00 0.57 C ATOM 2185 OD1 ASN A 144 12.338 -9.620 10.000 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.284 -11.747 9.383 1.00 -0.80 N ATOM 0 H ASN A 144 14.260 -8.894 5.395 1.00 -0.73 H new ATOM 0 HA ASN A 144 14.497 -10.146 7.872 1.00 0.36 H new ATOM 0 HB2 ASN A 144 11.892 -9.056 7.516 1.00 0.06 H new ATOM 0 HB3 ASN A 144 11.709 -10.736 7.053 1.00 0.06 H new ATOM 0 HD21 ASN A 144 12.297 -12.057 10.355 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 12.256 -12.433 8.629 1.00 -0.80 H new ATOM 2193 N GLY A 145 13.304 -11.087 4.918 1.00 -0.73 N ATOM 2194 CA GLY A 145 13.185 -12.104 3.890 1.00 0.36 C ATOM 2195 C GLY A 145 13.354 -11.433 2.536 1.00 0.57 C ATOM 2196 O GLY A 145 14.227 -10.576 2.384 1.00 -0.57 O ATOM 0 H GLY A 145 12.892 -10.198 4.635 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 13.942 -12.875 4.029 1.00 0.36 H new ATOM 0 HA3 GLY A 145 12.214 -12.596 3.952 1.00 0.36 H new ATOM 2200 N ASP A 146 12.521 -11.801 1.563 1.00 -0.73 N ATOM 2201 CA ASP A 146 12.606 -11.260 0.218 1.00 0.36 C ATOM 2202 C ASP A 146 11.241 -10.697 -0.167 1.00 0.57 C ATOM 2203 O ASP A 146 10.276 -11.459 -0.288 1.00 -0.57 O ATOM 2204 CB ASP A 146 13.094 -12.322 -0.761 1.00 0.06 C ATOM 2205 CG ASP A 146 13.528 -11.713 -2.093 1.00 0.66 C ATOM 2206 OD1 ASP A 146 12.996 -10.677 -2.457 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 14.502 -12.366 -2.720 1.00 -0.65 O ATOM 0 H ASP A 146 11.772 -12.481 1.690 1.00 -0.73 H new ATOM 0 HA ASP A 146 13.337 -10.452 0.181 1.00 0.36 H new ATOM 0 HB2 ASP A 146 13.930 -12.865 -0.320 1.00 0.06 H new ATOM 0 HB3 ASP A 146 12.299 -13.047 -0.935 1.00 0.06 H new ATOM 2213 N PRO A 147 11.129 -9.367 -0.310 1.00 -0.66 N ATOM 2214 CA PRO A 147 9.900 -8.734 -0.726 1.00 0.36 C ATOM 2215 C PRO A 147 9.630 -8.931 -2.215 1.00 0.57 C ATOM 2216 O PRO A 147 8.520 -8.619 -2.618 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.076 -7.250 -0.398 1.00 0.00 C ATOM 2218 CG PRO A 147 11.573 -7.018 -0.337 1.00 0.00 C ATOM 2219 CD PRO A 147 12.198 -8.391 -0.171 1.00 0.30 C ATOM 0 HA PRO A 147 9.043 -9.171 -0.213 1.00 0.36 H new ATOM 0 HB2 PRO A 147 9.613 -6.623 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 147 9.602 -7.000 0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 147 11.931 -6.533 -1.245 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.834 -6.366 0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 147 12.970 -8.556 -0.922 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.677 -8.481 0.804 1.00 0.30 H new ATOM 2227 N GLN A 148 10.583 -9.357 -3.058 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.347 -9.530 -4.493 1.00 0.36 C ATOM 2229 C GLN A 148 9.313 -10.638 -4.721 1.00 0.57 C ATOM 2230 O GLN A 148 8.342 -10.457 -5.455 1.00 -0.57 O ATOM 2231 CB GLN A 148 11.682 -9.865 -5.178 1.00 0.00 C ATOM 2232 CG GLN A 148 11.606 -9.938 -6.718 1.00 0.06 C ATOM 2233 CD GLN A 148 12.098 -11.256 -7.338 1.00 0.57 C ATOM 2234 OE1 GLN A 148 12.520 -12.206 -6.688 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 12.038 -11.361 -8.656 1.00 -0.80 N ATOM 0 H GLN A 148 11.532 -9.589 -2.763 1.00 -0.73 H new ATOM 0 HA GLN A 148 9.951 -8.611 -4.924 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.419 -9.113 -4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 148 12.042 -10.821 -4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 148 10.572 -9.776 -7.022 1.00 0.06 H new ATOM 0 HG3 GLN A 148 12.193 -9.119 -7.134 1.00 0.06 H new ATOM 0 HE21 GLN A 148 11.690 -10.582 -9.214 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 12.340 -12.221 -9.113 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.515 -11.783 -4.064 1.00 -0.73 N ATOM 2245 CA ASN A 149 8.669 -12.965 -4.179 1.00 0.36 C ATOM 2246 C ASN A 149 7.575 -12.969 -3.106 1.00 0.57 C ATOM 2247 O ASN A 149 7.579 -13.791 -2.183 1.00 -0.57 O ATOM 2248 CB ASN A 149 9.516 -14.249 -4.194 1.00 0.06 C ATOM 2249 CG ASN A 149 10.504 -14.368 -3.038 1.00 0.57 C ATOM 2250 OD1 ASN A 149 11.697 -14.168 -3.210 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 10.064 -14.733 -1.849 1.00 -0.80 N ATOM 0 H ASN A 149 10.295 -11.913 -3.420 1.00 -0.73 H new ATOM 0 HA ASN A 149 8.150 -12.932 -5.137 1.00 0.36 H new ATOM 0 HB2 ASN A 149 8.848 -15.110 -4.175 1.00 0.06 H new ATOM 0 HB3 ASN A 149 10.068 -14.294 -5.133 1.00 0.06 H new ATOM 0 HD21 ASN A 149 10.719 -14.848 -1.076 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 9.069 -14.901 -1.703 1.00 -0.80 H new ATOM 2258 N PHE A 150 6.612 -12.056 -3.243 1.00 -0.73 N ATOM 2259 CA PHE A 150 5.566 -11.863 -2.248 1.00 0.36 C ATOM 2260 C PHE A 150 4.209 -11.754 -2.954 1.00 0.57 C ATOM 2261 O PHE A 150 4.042 -10.978 -3.896 1.00 -0.57 O ATOM 2262 CB PHE A 150 5.915 -10.631 -1.400 1.00 0.14 C ATOM 2263 CG PHE A 150 5.385 -9.330 -1.957 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 5.771 -8.875 -3.231 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.380 -8.652 -1.255 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.162 -7.752 -3.792 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 3.813 -7.493 -1.798 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.205 -7.042 -3.058 1.00 -0.15 C ATOM 0 H PHE A 150 6.539 -11.432 -4.047 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.497 -12.713 -1.569 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.519 -10.771 -0.394 1.00 0.14 H new ATOM 0 HB3 PHE A 150 6.999 -10.561 -1.309 1.00 0.14 H new ATOM 0 HD1 PHE A 150 6.542 -9.397 -3.777 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 4.044 -9.022 -0.298 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 5.428 -7.432 -4.789 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 3.069 -6.946 -1.239 1.00 -0.15 H new ATOM 0 HZ PHE A 150 3.769 -6.143 -3.468 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.241 -12.580 -2.561 1.00 -0.73 N ATOM 2279 CA LYS A 151 1.915 -12.561 -3.167 1.00 0.36 C ATOM 2280 C LYS A 151 0.913 -12.936 -2.088 1.00 0.57 C ATOM 2281 O LYS A 151 0.533 -14.099 -1.997 1.00 -0.57 O ATOM 2282 CB LYS A 151 1.796 -13.510 -4.378 1.00 0.00 C ATOM 2283 CG LYS A 151 2.661 -13.199 -5.610 1.00 0.00 C ATOM 2284 CD LYS A 151 4.117 -13.692 -5.498 1.00 0.00 C ATOM 2285 CE LYS A 151 4.638 -14.228 -6.830 1.00 0.50 C ATOM 2286 NZ LYS A 151 4.822 -15.695 -6.792 1.00 -0.85 N ATOM 0 H LYS A 151 3.353 -13.273 -1.821 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.718 -11.562 -3.556 1.00 0.36 H new ATOM 0 HB2 LYS A 151 2.040 -14.518 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 151 0.753 -13.523 -4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 151 2.201 -13.654 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 151 2.665 -12.122 -5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 151 4.753 -12.873 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.179 -14.475 -4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 151 3.939 -13.969 -7.625 1.00 0.50 H new ATOM 0 HE3 LYS A 151 5.587 -13.748 -7.070 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.177 -16.024 -7.713 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 5.508 -15.940 -6.049 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 3.911 -16.154 -6.587 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.525 -11.934 -1.289 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.469 -12.026 -0.227 1.00 0.36 C ATOM 2302 C LEU A 152 -0.212 -13.239 0.688 1.00 0.57 C ATOM 2303 O LEU A 152 -0.799 -14.297 0.502 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.904 -11.988 -0.811 1.00 0.00 C ATOM 2305 CG LEU A 152 -2.290 -10.675 -1.521 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -2.023 -10.713 -3.019 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.767 -10.322 -1.302 1.00 0.00 C ATOM 0 H LEU A 152 0.917 -10.996 -1.374 1.00 -0.73 H new ATOM 0 HA LEU A 152 -0.372 -11.150 0.414 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -2.013 -12.810 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.613 -12.167 -0.002 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.656 -9.911 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -2.314 -9.762 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.961 -10.886 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.602 -11.518 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.999 -9.390 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -4.394 -11.121 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.958 -10.203 -0.236 1.00 0.00 H new ATOM 2319 N SER A 153 0.720 -13.105 1.645 1.00 -0.73 N ATOM 2320 CA SER A 153 1.187 -14.223 2.471 1.00 0.36 C ATOM 2321 C SER A 153 0.096 -14.740 3.426 1.00 0.57 C ATOM 2322 O SER A 153 -0.587 -15.715 3.110 1.00 -0.57 O ATOM 2323 CB SER A 153 2.480 -13.815 3.201 1.00 0.28 C ATOM 2324 OG SER A 153 2.882 -14.802 4.128 1.00 -0.68 O ATOM 0 H SER A 153 1.170 -12.216 1.866 1.00 -0.73 H new ATOM 0 HA SER A 153 1.416 -15.068 1.822 1.00 0.36 H new ATOM 0 HB2 SER A 153 3.275 -13.652 2.473 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.324 -12.869 3.719 1.00 0.28 H new ATOM 0 HG SER A 153 3.706 -14.515 4.574 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.057 -14.121 4.602 1.00 -0.73 N ATOM 2331 CA GLN A 154 -0.950 -14.601 5.656 1.00 0.36 C ATOM 2332 C GLN A 154 -1.679 -13.415 6.239 1.00 0.57 C ATOM 2333 O GLN A 154 -2.894 -13.383 6.176 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.166 -15.293 6.781 1.00 0.00 C ATOM 2335 CG GLN A 154 0.344 -16.694 6.417 1.00 0.06 C ATOM 2336 CD GLN A 154 -0.541 -17.810 6.972 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -1.759 -17.693 7.044 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 0.057 -18.908 7.415 1.00 -0.80 N ATOM 0 H GLN A 154 0.441 -13.266 4.848 1.00 -0.73 H new ATOM 0 HA GLN A 154 -1.643 -15.322 5.223 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.684 -14.668 7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -0.804 -15.367 7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 154 0.398 -16.785 5.332 1.00 0.06 H new ATOM 0 HG3 GLN A 154 1.358 -16.817 6.798 1.00 0.06 H new ATOM 0 HE21 GLN A 154 1.071 -18.997 7.351 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -0.497 -19.663 7.819 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.943 -12.425 6.745 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.447 -11.117 7.132 1.00 0.36 C ATOM 2349 C ASP A 155 -2.265 -10.470 6.035 1.00 0.57 C ATOM 2350 O ASP A 155 -3.290 -9.870 6.338 1.00 -0.57 O ATOM 2351 CB ASP A 155 -0.274 -10.190 7.459 1.00 0.06 C ATOM 2352 CG ASP A 155 0.728 -9.968 6.309 1.00 0.66 C ATOM 2353 OD1 ASP A 155 1.148 -8.840 6.110 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 1.118 -11.037 5.620 1.00 -0.65 O ATOM 0 H ASP A 155 0.060 -12.521 6.901 1.00 -0.73 H new ATOM 0 HA ASP A 155 -2.087 -11.267 8.001 1.00 0.36 H new ATOM 0 HB2 ASP A 155 -0.671 -9.222 7.765 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.264 -10.599 8.314 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.835 -10.615 4.780 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.577 -10.055 3.670 1.00 0.36 C ATOM 2362 C ASP A 156 -3.939 -10.722 3.587 1.00 0.57 C ATOM 2363 O ASP A 156 -4.936 -10.027 3.675 1.00 -0.57 O ATOM 2364 CB ASP A 156 -1.830 -10.222 2.357 1.00 0.06 C ATOM 2365 CG ASP A 156 -2.053 -9.006 1.444 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -1.109 -8.600 0.787 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -3.275 -8.482 1.421 1.00 -0.65 O ATOM 0 H ASP A 156 -0.984 -11.112 4.517 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.700 -8.986 3.844 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -0.765 -10.345 2.553 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.168 -11.128 1.853 1.00 0.06 H new ATOM 2373 N ILE A 157 -3.994 -12.065 3.527 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.251 -12.812 3.469 1.00 0.36 C ATOM 2375 C ILE A 157 -6.069 -12.551 4.735 1.00 0.57 C ATOM 2376 O ILE A 157 -7.246 -12.239 4.621 1.00 -0.57 O ATOM 2377 CB ILE A 157 -4.995 -14.329 3.217 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -5.087 -14.658 1.707 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -5.946 -15.286 3.965 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -3.714 -14.603 1.054 1.00 0.00 C ATOM 0 H ILE A 157 -3.164 -12.658 3.518 1.00 -0.73 H new ATOM 0 HA ILE A 157 -5.838 -12.461 2.621 1.00 0.36 H new ATOM 0 HB ILE A 157 -3.992 -14.496 3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.518 -15.650 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -5.756 -13.950 1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -5.687 -16.317 3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -5.850 -15.129 5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -6.974 -15.089 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -3.806 -14.838 -0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -3.296 -13.603 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -3.055 -15.329 1.531 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.459 -12.666 5.920 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.090 -12.524 7.232 1.00 0.36 C ATOM 2394 C LYS A 158 -6.628 -11.106 7.420 1.00 0.57 C ATOM 2395 O LYS A 158 -7.627 -10.917 8.119 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.075 -12.847 8.346 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.787 -13.107 9.686 1.00 0.00 C ATOM 2398 CD LYS A 158 -4.928 -12.836 10.930 1.00 0.00 C ATOM 2399 CE LYS A 158 -4.110 -14.053 11.381 1.00 0.50 C ATOM 2400 NZ LYS A 158 -2.657 -13.910 11.143 1.00 -0.85 N ATOM 0 H LYS A 158 -4.462 -12.871 5.991 1.00 -0.73 H new ATOM 0 HA LYS A 158 -6.923 -13.225 7.290 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.489 -13.723 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.376 -12.018 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -6.680 -12.484 9.735 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -6.120 -14.144 9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -4.250 -12.009 10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -5.575 -12.519 11.748 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -4.281 -14.222 12.444 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -4.471 -14.938 10.856 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -2.166 -14.766 11.470 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -2.483 -13.778 10.126 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -2.299 -13.085 11.665 1.00 -0.85 H new ATOM 2414 N GLY A 159 -5.948 -10.121 6.834 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.375 -8.744 6.761 1.00 0.36 C ATOM 2416 C GLY A 159 -7.512 -8.659 5.762 1.00 0.57 C ATOM 2417 O GLY A 159 -8.618 -8.353 6.173 1.00 -0.57 O ATOM 0 H GLY A 159 -5.048 -10.279 6.381 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.701 -8.394 7.740 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.548 -8.104 6.453 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.298 -9.020 4.496 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.300 -8.998 3.436 1.00 0.36 C ATOM 2423 C ILE A 160 -9.609 -9.626 3.903 1.00 0.57 C ATOM 2424 O ILE A 160 -10.617 -8.928 3.958 1.00 -0.57 O ATOM 2425 CB ILE A 160 -7.715 -9.612 2.134 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.148 -8.509 1.218 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -8.672 -10.495 1.332 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.247 -7.660 0.570 1.00 0.00 C ATOM 0 H ILE A 160 -6.388 -9.347 4.172 1.00 -0.73 H new ATOM 0 HA ILE A 160 -8.557 -7.967 3.192 1.00 0.36 H new ATOM 0 HB ILE A 160 -6.925 -10.276 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.489 -7.863 1.798 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.540 -8.967 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.163 -10.871 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -8.995 -11.334 1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.541 -9.910 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.792 -6.899 -0.064 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.891 -8.299 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.840 -7.178 1.347 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.596 -10.890 4.335 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.788 -11.593 4.792 1.00 0.36 C ATOM 2442 C GLN A 161 -11.463 -10.881 5.967 1.00 0.57 C ATOM 2443 O GLN A 161 -12.631 -11.132 6.219 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.465 -13.056 5.148 1.00 0.00 C ATOM 2445 CG GLN A 161 -9.728 -13.171 6.492 1.00 0.06 C ATOM 2446 CD GLN A 161 -9.632 -14.580 7.044 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -9.130 -15.503 6.407 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -10.068 -14.759 8.285 1.00 -0.80 N ATOM 0 H GLN A 161 -8.748 -11.455 4.376 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.497 -11.590 3.964 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -11.390 -13.632 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -9.853 -13.495 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -8.720 -12.772 6.373 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -10.235 -12.542 7.224 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.482 -13.980 8.797 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -9.989 -15.675 8.726 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.731 -10.050 6.720 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.245 -9.256 7.826 1.00 0.36 C ATOM 2459 C LYS A 162 -11.781 -7.910 7.326 1.00 0.57 C ATOM 2460 O LYS A 162 -12.739 -7.399 7.902 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.102 -9.076 8.836 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.506 -8.422 10.158 1.00 0.00 C ATOM 2463 CD LYS A 162 -10.380 -9.421 11.298 1.00 0.00 C ATOM 2464 CE LYS A 162 -8.937 -9.597 11.805 1.00 0.50 C ATOM 2465 NZ LYS A 162 -8.213 -10.729 11.179 1.00 -0.85 N ATOM 0 H LYS A 162 -9.732 -9.913 6.565 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.083 -9.760 8.307 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.668 -10.053 9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.320 -8.474 8.374 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -9.873 -7.556 10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.532 -8.059 10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -11.010 -9.097 12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -10.761 -10.387 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -8.383 -8.677 11.619 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -8.957 -9.744 12.885 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -7.370 -10.957 11.744 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -8.837 -11.560 11.138 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -7.923 -10.465 10.216 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.202 -7.354 6.256 1.00 -0.73 N ATOM 2480 CA LEU A 163 -11.652 -6.122 5.617 1.00 0.36 C ATOM 2481 C LEU A 163 -13.065 -6.306 5.051 1.00 0.57 C ATOM 2482 O LEU A 163 -13.931 -5.468 5.305 1.00 -0.57 O ATOM 2483 CB LEU A 163 -10.673 -5.686 4.504 1.00 0.00 C ATOM 2484 CG LEU A 163 -9.241 -5.314 4.950 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -8.386 -4.970 3.736 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -9.130 -4.175 5.954 1.00 0.00 C ATOM 0 H LEU A 163 -10.386 -7.763 5.802 1.00 -0.73 H new ATOM 0 HA LEU A 163 -11.676 -5.334 6.370 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -10.604 -6.494 3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -11.103 -4.827 3.989 1.00 0.00 H new ATOM 0 HG LEU A 163 -8.885 -6.205 5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -7.379 -4.709 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -8.340 -5.830 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -8.827 -4.124 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -8.081 -4.002 6.194 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -9.558 -3.269 5.525 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -9.671 -4.437 6.863 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.318 -7.423 4.348 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.631 -7.727 3.755 1.00 0.36 C ATOM 2500 C TYR A 164 -15.400 -8.804 4.538 1.00 0.57 C ATOM 2501 O TYR A 164 -16.393 -9.343 4.048 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.492 -8.069 2.259 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.051 -9.491 1.939 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.689 -9.819 1.966 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -14.987 -10.484 1.582 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.251 -11.113 1.644 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.560 -11.793 1.283 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.183 -12.112 1.318 1.00 0.08 C ATOM 2509 OH TYR A 164 -12.727 -13.367 1.046 1.00 -0.53 O ATOM 0 H TYR A 164 -12.616 -8.142 4.175 1.00 -0.73 H new ATOM 0 HA TYR A 164 -15.238 -6.825 3.829 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -15.452 -7.889 1.775 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -13.776 -7.378 1.813 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -11.966 -9.065 2.239 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.038 -10.239 1.538 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.195 -11.341 1.647 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.284 -12.552 1.027 1.00 -0.15 H new ATOM 0 HH TYR A 164 -13.485 -13.953 0.838 1.00 -0.53 H new