USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 555 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 47 SER OG : rot 180:sc= 0.79 USER MOD Set 1.2: A 51 SER OG : rot 134:sc= 0.89 USER MOD Set 2.1: A 35 GLN : amide:sc= 0.304 X(o=0.36,f=0.75) USER MOD Set 2.2: A 50 SER OG : rot -174:sc= 0.0588 USER MOD Single : A 10 HIS : no HD1:sc= -0.222 K(o=-0.22,f=-3.9!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.522 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -77:sc= 1.46 USER MOD Single : A 24 ASN : amide:sc=-0.00959 K(o=-0.0096,f=-0.81) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= -0.0421 (180deg=-0.307) USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= 0.707 (180deg=-0.992!) USER MOD Single : A 33 MET CE :methyl 166:sc= -0.03 (180deg=-0.297) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 24:sc= -2.82! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -0.22 F(o=-1.6!,f=-0.22) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 55 SER OG : rot 58:sc= 0.36 USER MOD Single : A 56 THR OG1 : rot -100:sc= 0.00469 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0.356 USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= 1.16 (180deg=0.254) USER MOD Single : A 66 CYS SG : rot -24:sc= -2.43! USER MOD Single : A 67 GLN : amide:sc= -0.0466 K(o=-0.047,f=-0.61) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 0.0222 (180deg=0.000341) USER MOD Single : A 78 LYS NZ :NH3+ -141:sc= -2.47! (180deg=-5.02!) USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 13.521 -0.784 -6.245 1.00 74.15 N ATOM 147 CA HIS A 10 12.781 0.133 -7.132 1.00 11.04 C ATOM 148 C HIS A 10 11.249 0.001 -6.962 1.00 32.32 C ATOM 149 O HIS A 10 10.481 0.424 -7.825 1.00 53.30 O ATOM 150 CB HIS A 10 13.175 -0.113 -8.599 1.00 60.34 C ATOM 151 CG HIS A 10 14.589 0.276 -8.926 1.00 22.21 C ATOM 152 ND1 HIS A 10 14.902 1.368 -9.702 1.00 50.03 N ATOM 153 CD2 HIS A 10 15.775 -0.290 -8.589 1.00 3.01 C ATOM 154 CE1 HIS A 10 16.208 1.462 -9.829 1.00 62.32 C ATOM 155 NE2 HIS A 10 16.764 0.471 -9.164 1.00 65.05 N ATOM 0 HA HIS A 10 13.054 1.149 -6.848 1.00 11.04 H new ATOM 0 HB2 HIS A 10 13.037 -1.170 -8.829 1.00 60.34 H new ATOM 0 HB3 HIS A 10 12.497 0.445 -9.245 1.00 60.34 H new ATOM 0 HD2 HIS A 10 15.915 -1.173 -7.983 1.00 3.01 H new ATOM 0 HE1 HIS A 10 16.735 2.223 -10.385 1.00 62.32 H new ATOM 0 HE2 HIS A 10 17.766 0.297 -9.088 1.00 65.05 H new ATOM 164 N MET A 11 10.813 -0.566 -5.834 1.00 75.14 N ATOM 165 CA MET A 11 9.378 -0.767 -5.565 1.00 24.00 C ATOM 166 C MET A 11 8.777 0.393 -4.749 1.00 72.32 C ATOM 167 O MET A 11 7.621 0.345 -4.341 1.00 44.04 O ATOM 168 CB MET A 11 9.160 -2.098 -4.828 1.00 55.41 C ATOM 169 CG MET A 11 9.801 -2.159 -3.447 1.00 12.42 C ATOM 170 SD MET A 11 9.567 -3.757 -2.643 1.00 21.13 S ATOM 171 CE MET A 11 10.323 -3.451 -1.048 1.00 2.22 C ATOM 0 H MET A 11 11.429 -0.895 -5.090 1.00 75.14 H new ATOM 0 HA MET A 11 8.865 -0.794 -6.526 1.00 24.00 H new ATOM 0 HB2 MET A 11 8.089 -2.274 -4.727 1.00 55.41 H new ATOM 0 HB3 MET A 11 9.560 -2.908 -5.438 1.00 55.41 H new ATOM 0 HG2 MET A 11 10.868 -1.954 -3.536 1.00 12.42 H new ATOM 0 HG3 MET A 11 9.378 -1.375 -2.819 1.00 12.42 H new ATOM 0 HE1 MET A 11 10.257 -4.350 -0.435 1.00 2.22 H new ATOM 0 HE2 MET A 11 11.370 -3.183 -1.187 1.00 2.22 H new ATOM 0 HE3 MET A 11 9.803 -2.633 -0.550 1.00 2.22 H new ATOM 181 N LEU A 12 9.584 1.423 -4.495 1.00 5.34 N ATOM 182 CA LEU A 12 9.120 2.634 -3.795 1.00 3.51 C ATOM 183 C LEU A 12 8.679 3.730 -4.799 1.00 62.32 C ATOM 184 O LEU A 12 7.658 4.394 -4.587 1.00 21.00 O ATOM 185 CB LEU A 12 10.210 3.180 -2.850 1.00 60.20 C ATOM 186 CG LEU A 12 10.611 2.261 -1.675 1.00 34.13 C ATOM 187 CD1 LEU A 12 11.361 1.021 -2.164 1.00 10.12 C ATOM 188 CD2 LEU A 12 11.449 3.027 -0.656 1.00 24.33 C ATOM 0 H LEU A 12 10.568 1.448 -4.763 1.00 5.34 H new ATOM 0 HA LEU A 12 8.254 2.353 -3.196 1.00 3.51 H new ATOM 0 HB2 LEU A 12 11.102 3.392 -3.440 1.00 60.20 H new ATOM 0 HB3 LEU A 12 9.866 4.130 -2.441 1.00 60.20 H new ATOM 0 HG LEU A 12 9.694 1.925 -1.190 1.00 34.13 H new ATOM 0 HD11 LEU A 12 11.628 0.397 -1.311 1.00 10.12 H new ATOM 0 HD12 LEU A 12 10.724 0.454 -2.843 1.00 10.12 H new ATOM 0 HD13 LEU A 12 12.267 1.327 -2.687 1.00 10.12 H new ATOM 0 HD21 LEU A 12 11.722 2.363 0.164 1.00 24.33 H new ATOM 0 HD22 LEU A 12 12.353 3.401 -1.136 1.00 24.33 H new ATOM 0 HD23 LEU A 12 10.872 3.866 -0.267 1.00 24.33 H new ATOM 200 N PRO A 13 9.459 3.971 -5.884 1.00 5.32 N ATOM 201 CA PRO A 13 9.023 4.833 -7.001 1.00 1.24 C ATOM 202 C PRO A 13 7.872 4.193 -7.815 1.00 43.51 C ATOM 203 O PRO A 13 7.472 3.058 -7.548 1.00 71.03 O ATOM 204 CB PRO A 13 10.297 4.972 -7.865 1.00 24.33 C ATOM 205 CG PRO A 13 11.417 4.528 -6.990 1.00 23.33 C ATOM 206 CD PRO A 13 10.832 3.476 -6.100 1.00 43.30 C ATOM 0 HA PRO A 13 8.627 5.788 -6.655 1.00 1.24 H new ATOM 0 HB2 PRO A 13 10.232 4.357 -8.763 1.00 24.33 H new ATOM 0 HB3 PRO A 13 10.439 6.002 -8.193 1.00 24.33 H new ATOM 0 HG2 PRO A 13 12.242 4.129 -7.580 1.00 23.33 H new ATOM 0 HG3 PRO A 13 11.814 5.359 -6.407 1.00 23.33 H new ATOM 0 HD2 PRO A 13 10.840 2.494 -6.573 1.00 43.30 H new ATOM 0 HD3 PRO A 13 11.383 3.384 -5.164 1.00 43.30 H new ATOM 214 N PRO A 14 7.327 4.889 -8.840 1.00 33.13 N ATOM 215 CA PRO A 14 6.221 4.351 -9.659 1.00 43.01 C ATOM 216 C PRO A 14 6.668 3.276 -10.673 1.00 53.43 C ATOM 217 O PRO A 14 6.014 3.069 -11.697 1.00 73.32 O ATOM 218 CB PRO A 14 5.709 5.600 -10.391 1.00 65.43 C ATOM 219 CG PRO A 14 6.913 6.468 -10.530 1.00 54.10 C ATOM 220 CD PRO A 14 7.724 6.246 -9.278 1.00 15.33 C ATOM 0 HA PRO A 14 5.476 3.842 -9.047 1.00 43.01 H new ATOM 0 HB2 PRO A 14 5.288 5.346 -11.364 1.00 65.43 H new ATOM 0 HB3 PRO A 14 4.923 6.099 -9.824 1.00 65.43 H new ATOM 0 HG2 PRO A 14 7.485 6.204 -11.419 1.00 54.10 H new ATOM 0 HG3 PRO A 14 6.630 7.516 -10.633 1.00 54.10 H new ATOM 0 HD2 PRO A 14 8.794 6.305 -9.478 1.00 15.33 H new ATOM 0 HD3 PRO A 14 7.500 6.994 -8.518 1.00 15.33 H new ATOM 228 N GLU A 15 7.757 2.574 -10.372 1.00 4.33 N ATOM 229 CA GLU A 15 8.330 1.592 -11.302 1.00 73.35 C ATOM 230 C GLU A 15 7.594 0.242 -11.248 1.00 25.02 C ATOM 231 O GLU A 15 6.741 -0.045 -12.093 1.00 63.21 O ATOM 232 CB GLU A 15 9.826 1.403 -11.008 1.00 72.51 C ATOM 233 CG GLU A 15 10.642 2.681 -11.171 1.00 52.35 C ATOM 234 CD GLU A 15 12.112 2.488 -10.835 1.00 32.23 C ATOM 235 OE1 GLU A 15 12.835 1.861 -11.637 1.00 44.44 O ATOM 236 OE2 GLU A 15 12.559 2.965 -9.772 1.00 42.11 O ATOM 0 H GLU A 15 8.264 2.663 -9.492 1.00 4.33 H new ATOM 0 HA GLU A 15 8.206 1.982 -12.312 1.00 73.35 H new ATOM 0 HB2 GLU A 15 9.945 1.033 -9.990 1.00 72.51 H new ATOM 0 HB3 GLU A 15 10.226 0.638 -11.674 1.00 72.51 H new ATOM 0 HG2 GLU A 15 10.552 3.036 -12.198 1.00 52.35 H new ATOM 0 HG3 GLU A 15 10.226 3.457 -10.528 1.00 52.35 H new ATOM 243 N GLN A 16 7.913 -0.588 -10.254 1.00 40.13 N ATOM 244 CA GLN A 16 7.308 -1.924 -10.145 1.00 0.14 C ATOM 245 C GLN A 16 6.845 -2.236 -8.715 1.00 33.11 C ATOM 246 O GLN A 16 7.646 -2.278 -7.785 1.00 23.02 O ATOM 247 CB GLN A 16 8.289 -3.013 -10.612 1.00 22.31 C ATOM 248 CG GLN A 16 8.654 -2.929 -12.091 1.00 41.33 C ATOM 249 CD GLN A 16 9.406 -4.156 -12.573 1.00 2.25 C ATOM 250 OE1 GLN A 16 10.631 -4.216 -12.541 1.00 74.30 O ATOM 251 NE2 GLN A 16 8.673 -5.153 -13.022 1.00 2.11 N ATOM 0 H GLN A 16 8.581 -0.365 -9.516 1.00 40.13 H new ATOM 0 HA GLN A 16 6.432 -1.921 -10.794 1.00 0.14 H new ATOM 0 HB2 GLN A 16 9.201 -2.944 -10.019 1.00 22.31 H new ATOM 0 HB3 GLN A 16 7.852 -3.991 -10.412 1.00 22.31 H new ATOM 0 HG2 GLN A 16 7.745 -2.809 -12.680 1.00 41.33 H new ATOM 0 HG3 GLN A 16 9.264 -2.042 -12.262 1.00 41.33 H new ATOM 0 HE21 GLN A 16 7.656 -5.073 -13.036 1.00 2.11 H new ATOM 0 HE22 GLN A 16 9.122 -6.006 -13.356 1.00 2.11 H new ATOM 260 N TRP A 17 5.543 -2.468 -8.557 1.00 2.02 N ATOM 261 CA TRP A 17 4.962 -2.853 -7.264 1.00 34.22 C ATOM 262 C TRP A 17 4.452 -4.303 -7.307 1.00 43.43 C ATOM 263 O TRP A 17 3.588 -4.644 -8.114 1.00 43.22 O ATOM 264 CB TRP A 17 3.825 -1.889 -6.889 1.00 43.35 C ATOM 265 CG TRP A 17 4.313 -0.517 -6.513 1.00 23.31 C ATOM 266 CD1 TRP A 17 4.888 0.408 -7.338 1.00 51.13 C ATOM 267 CD2 TRP A 17 4.267 0.080 -5.214 1.00 14.21 C ATOM 268 NE1 TRP A 17 5.213 1.535 -6.626 1.00 50.33 N ATOM 269 CE2 TRP A 17 4.838 1.360 -5.321 1.00 32.22 C ATOM 270 CE3 TRP A 17 3.799 -0.350 -3.967 1.00 20.35 C ATOM 271 CZ2 TRP A 17 4.952 2.215 -4.229 1.00 65.23 C ATOM 272 CZ3 TRP A 17 3.914 0.500 -2.886 1.00 11.14 C ATOM 273 CH2 TRP A 17 4.485 1.770 -3.022 1.00 33.52 C ATOM 0 H TRP A 17 4.862 -2.396 -9.313 1.00 2.02 H new ATOM 0 HA TRP A 17 5.738 -2.791 -6.501 1.00 34.22 H new ATOM 0 HB2 TRP A 17 3.136 -1.805 -7.730 1.00 43.35 H new ATOM 0 HB3 TRP A 17 3.261 -2.308 -6.056 1.00 43.35 H new ATOM 0 HD1 TRP A 17 5.061 0.272 -8.395 1.00 51.13 H new ATOM 0 HE1 TRP A 17 5.661 2.368 -7.007 1.00 50.33 H new ATOM 0 HE3 TRP A 17 3.356 -1.328 -3.853 1.00 20.35 H new ATOM 0 HZ2 TRP A 17 5.394 3.195 -4.330 1.00 65.23 H new ATOM 0 HZ3 TRP A 17 3.557 0.179 -1.918 1.00 11.14 H new ATOM 0 HH2 TRP A 17 4.559 2.412 -2.157 1.00 33.52 H new ATOM 284 N SER A 18 5.003 -5.156 -6.442 1.00 64.25 N ATOM 285 CA SER A 18 4.663 -6.589 -6.437 1.00 22.23 C ATOM 286 C SER A 18 3.710 -6.966 -5.292 1.00 21.31 C ATOM 287 O SER A 18 3.440 -6.165 -4.392 1.00 12.42 O ATOM 288 CB SER A 18 5.940 -7.434 -6.327 1.00 60.12 C ATOM 289 OG SER A 18 5.643 -8.824 -6.264 1.00 73.21 O ATOM 0 H SER A 18 5.686 -4.885 -5.735 1.00 64.25 H new ATOM 0 HA SER A 18 4.151 -6.794 -7.377 1.00 22.23 H new ATOM 0 HB2 SER A 18 6.583 -7.237 -7.185 1.00 60.12 H new ATOM 0 HB3 SER A 18 6.497 -7.139 -5.437 1.00 60.12 H new ATOM 0 HG SER A 18 6.477 -9.334 -6.196 1.00 73.21 H new ATOM 295 N HIS A 19 3.216 -8.208 -5.334 1.00 13.25 N ATOM 296 CA HIS A 19 2.333 -8.744 -4.287 1.00 24.11 C ATOM 297 C HIS A 19 2.948 -8.562 -2.890 1.00 31.50 C ATOM 298 O HIS A 19 2.311 -8.022 -1.988 1.00 52.40 O ATOM 299 CB HIS A 19 2.058 -10.239 -4.526 1.00 51.13 C ATOM 300 CG HIS A 19 1.278 -10.530 -5.770 1.00 11.50 C ATOM 301 ND1 HIS A 19 1.863 -10.756 -6.997 1.00 74.02 N ATOM 302 CD2 HIS A 19 -0.057 -10.649 -5.971 1.00 22.33 C ATOM 303 CE1 HIS A 19 0.927 -10.997 -7.890 1.00 71.33 C ATOM 304 NE2 HIS A 19 -0.246 -10.942 -7.298 1.00 14.54 N ATOM 0 H HIS A 19 3.413 -8.867 -6.087 1.00 13.25 H new ATOM 0 HA HIS A 19 1.397 -8.187 -4.334 1.00 24.11 H new ATOM 0 HB2 HIS A 19 3.010 -10.768 -4.576 1.00 51.13 H new ATOM 0 HB3 HIS A 19 1.515 -10.638 -3.669 1.00 51.13 H new ATOM 0 HD2 HIS A 19 -0.829 -10.534 -5.225 1.00 22.33 H new ATOM 0 HE1 HIS A 19 1.094 -11.206 -8.936 1.00 71.33 H new ATOM 0 HE2 HIS A 19 -1.148 -11.092 -7.751 1.00 14.54 H new ATOM 313 N THR A 20 4.194 -9.011 -2.732 1.00 63.24 N ATOM 314 CA THR A 20 4.914 -8.901 -1.453 1.00 12.03 C ATOM 315 C THR A 20 5.043 -7.438 -1.007 1.00 11.44 C ATOM 316 O THR A 20 4.856 -7.114 0.169 1.00 60.24 O ATOM 317 CB THR A 20 6.332 -9.521 -1.559 1.00 51.35 C ATOM 318 OG1 THR A 20 6.241 -10.858 -2.075 1.00 31.23 O ATOM 319 CG2 THR A 20 7.030 -9.547 -0.202 1.00 30.31 C ATOM 0 H THR A 20 4.732 -9.457 -3.475 1.00 63.24 H new ATOM 0 HA THR A 20 4.331 -9.449 -0.713 1.00 12.03 H new ATOM 0 HB THR A 20 6.920 -8.901 -2.235 1.00 51.35 H new ATOM 0 HG1 THR A 20 7.139 -11.245 -2.142 1.00 31.23 H new ATOM 0 HG21 THR A 20 8.021 -9.987 -0.311 1.00 30.31 H new ATOM 0 HG22 THR A 20 7.125 -8.530 0.178 1.00 30.31 H new ATOM 0 HG23 THR A 20 6.443 -10.143 0.498 1.00 30.31 H new ATOM 327 N THR A 21 5.355 -6.563 -1.962 1.00 72.42 N ATOM 328 CA THR A 21 5.500 -5.125 -1.700 1.00 45.34 C ATOM 329 C THR A 21 4.238 -4.546 -1.048 1.00 31.32 C ATOM 330 O THR A 21 4.291 -3.999 0.051 1.00 31.42 O ATOM 331 CB THR A 21 5.789 -4.342 -3.008 1.00 64.42 C ATOM 332 OG1 THR A 21 6.901 -4.929 -3.706 1.00 40.34 O ATOM 333 CG2 THR A 21 6.089 -2.872 -2.719 1.00 20.32 C ATOM 0 H THR A 21 5.514 -6.825 -2.935 1.00 72.42 H new ATOM 0 HA THR A 21 6.342 -5.014 -1.017 1.00 45.34 H new ATOM 0 HB THR A 21 4.896 -4.398 -3.631 1.00 64.42 H new ATOM 0 HG1 THR A 21 7.738 -4.662 -3.271 1.00 40.34 H new ATOM 0 HG21 THR A 21 6.287 -2.350 -3.655 1.00 20.32 H new ATOM 0 HG22 THR A 21 5.231 -2.416 -2.224 1.00 20.32 H new ATOM 0 HG23 THR A 21 6.963 -2.799 -2.071 1.00 20.32 H new ATOM 341 N VAL A 22 3.103 -4.693 -1.728 1.00 60.41 N ATOM 342 CA VAL A 22 1.819 -4.187 -1.227 1.00 5.04 C ATOM 343 C VAL A 22 1.411 -4.880 0.085 1.00 33.54 C ATOM 344 O VAL A 22 0.967 -4.231 1.033 1.00 51.22 O ATOM 345 CB VAL A 22 0.697 -4.387 -2.279 1.00 50.14 C ATOM 346 CG1 VAL A 22 -0.639 -3.839 -1.776 1.00 34.23 C ATOM 347 CG2 VAL A 22 1.086 -3.740 -3.606 1.00 12.04 C ATOM 0 H VAL A 22 3.043 -5.160 -2.633 1.00 60.41 H new ATOM 0 HA VAL A 22 1.950 -3.122 -1.035 1.00 5.04 H new ATOM 0 HB VAL A 22 0.574 -5.458 -2.441 1.00 50.14 H new ATOM 0 HG11 VAL A 22 -1.405 -3.994 -2.536 1.00 34.23 H new ATOM 0 HG12 VAL A 22 -0.924 -4.359 -0.861 1.00 34.23 H new ATOM 0 HG13 VAL A 22 -0.541 -2.773 -1.572 1.00 34.23 H new ATOM 0 HG21 VAL A 22 0.287 -3.890 -4.332 1.00 12.04 H new ATOM 0 HG22 VAL A 22 1.245 -2.672 -3.457 1.00 12.04 H new ATOM 0 HG23 VAL A 22 2.004 -4.195 -3.977 1.00 12.04 H new ATOM 357 N ARG A 23 1.586 -6.202 0.128 1.00 53.22 N ATOM 358 CA ARG A 23 1.204 -7.010 1.295 1.00 74.45 C ATOM 359 C ARG A 23 1.892 -6.503 2.577 1.00 74.30 C ATOM 360 O ARG A 23 1.274 -6.440 3.642 1.00 43.51 O ATOM 361 CB ARG A 23 1.559 -8.489 1.035 1.00 3.34 C ATOM 362 CG ARG A 23 0.757 -9.507 1.854 1.00 44.05 C ATOM 363 CD ARG A 23 1.231 -9.617 3.299 1.00 2.04 C ATOM 364 NE ARG A 23 0.461 -10.612 4.043 1.00 13.25 N ATOM 365 CZ ARG A 23 0.983 -11.564 4.762 1.00 72.44 C ATOM 366 NH1 ARG A 23 2.269 -11.723 4.823 1.00 24.44 N ATOM 367 NH2 ARG A 23 0.209 -12.379 5.399 1.00 32.14 N ATOM 0 H ARG A 23 1.992 -6.742 -0.636 1.00 53.22 H new ATOM 0 HA ARG A 23 0.128 -6.918 1.445 1.00 74.45 H new ATOM 0 HB2 ARG A 23 1.410 -8.701 -0.024 1.00 3.34 H new ATOM 0 HB3 ARG A 23 2.619 -8.634 1.243 1.00 3.34 H new ATOM 0 HG2 ARG A 23 -0.296 -9.225 1.844 1.00 44.05 H new ATOM 0 HG3 ARG A 23 0.829 -10.485 1.378 1.00 44.05 H new ATOM 0 HD2 ARG A 23 2.287 -9.886 3.317 1.00 2.04 H new ATOM 0 HD3 ARG A 23 1.141 -8.647 3.787 1.00 2.04 H new ATOM 0 HE ARG A 23 -0.556 -10.557 3.996 1.00 13.25 H new ATOM 0 HH11 ARG A 23 2.885 -11.098 4.304 1.00 24.44 H new ATOM 0 HH12 ARG A 23 2.664 -12.473 5.390 1.00 24.44 H new ATOM 0 HH21 ARG A 23 -0.804 -12.274 5.337 1.00 32.14 H new ATOM 0 HH22 ARG A 23 0.611 -13.127 5.964 1.00 32.14 H new ATOM 381 N ASN A 24 3.169 -6.143 2.467 1.00 71.11 N ATOM 382 CA ASN A 24 3.928 -5.629 3.613 1.00 22.45 C ATOM 383 C ASN A 24 3.715 -4.116 3.810 1.00 25.21 C ATOM 384 O ASN A 24 3.760 -3.617 4.935 1.00 25.44 O ATOM 385 CB ASN A 24 5.422 -5.938 3.448 1.00 0.55 C ATOM 386 CG ASN A 24 5.696 -7.433 3.366 1.00 75.04 C ATOM 387 OD1 ASN A 24 4.935 -8.247 3.882 1.00 64.31 O ATOM 388 ND2 ASN A 24 6.796 -7.811 2.748 1.00 14.11 N ATOM 0 H ASN A 24 3.702 -6.196 1.599 1.00 71.11 H new ATOM 0 HA ASN A 24 3.555 -6.134 4.504 1.00 22.45 H new ATOM 0 HB2 ASN A 24 5.794 -5.453 2.546 1.00 0.55 H new ATOM 0 HB3 ASN A 24 5.973 -5.515 4.288 1.00 0.55 H new ATOM 0 HD21 ASN A 24 7.033 -8.801 2.689 1.00 14.11 H new ATOM 0 HD22 ASN A 24 7.410 -7.113 2.328 1.00 14.11 H new ATOM 395 N ALA A 25 3.477 -3.391 2.717 1.00 44.20 N ATOM 396 CA ALA A 25 3.229 -1.943 2.782 1.00 63.13 C ATOM 397 C ALA A 25 1.969 -1.623 3.603 1.00 43.45 C ATOM 398 O ALA A 25 1.944 -0.665 4.383 1.00 1.41 O ATOM 399 CB ALA A 25 3.105 -1.367 1.373 1.00 65.14 C ATOM 0 H ALA A 25 3.450 -3.779 1.774 1.00 44.20 H new ATOM 0 HA ALA A 25 4.078 -1.480 3.284 1.00 63.13 H new ATOM 0 HB1 ALA A 25 2.921 -0.294 1.433 1.00 65.14 H new ATOM 0 HB2 ALA A 25 4.029 -1.547 0.824 1.00 65.14 H new ATOM 0 HB3 ALA A 25 2.276 -1.848 0.855 1.00 65.14 H new ATOM 405 N LEU A 26 0.933 -2.441 3.432 1.00 62.11 N ATOM 406 CA LEU A 26 -0.333 -2.260 4.154 1.00 73.21 C ATOM 407 C LEU A 26 -0.145 -2.353 5.682 1.00 61.31 C ATOM 408 O LEU A 26 -0.926 -1.780 6.443 1.00 2.11 O ATOM 409 CB LEU A 26 -1.364 -3.294 3.676 1.00 55.14 C ATOM 410 CG LEU A 26 -1.775 -3.172 2.196 1.00 43.12 C ATOM 411 CD1 LEU A 26 -2.692 -4.323 1.787 1.00 41.43 C ATOM 412 CD2 LEU A 26 -2.445 -1.824 1.931 1.00 31.51 C ATOM 0 H LEU A 26 0.942 -3.240 2.798 1.00 62.11 H new ATOM 0 HA LEU A 26 -0.699 -1.257 3.934 1.00 73.21 H new ATOM 0 HB2 LEU A 26 -0.959 -4.292 3.843 1.00 55.14 H new ATOM 0 HB3 LEU A 26 -2.258 -3.205 4.294 1.00 55.14 H new ATOM 0 HG LEU A 26 -0.872 -3.230 1.588 1.00 43.12 H new ATOM 0 HD11 LEU A 26 -2.968 -4.213 0.738 1.00 41.43 H new ATOM 0 HD12 LEU A 26 -2.172 -5.270 1.929 1.00 41.43 H new ATOM 0 HD13 LEU A 26 -3.592 -4.308 2.402 1.00 41.43 H new ATOM 0 HD21 LEU A 26 -2.727 -1.758 0.880 1.00 31.51 H new ATOM 0 HD22 LEU A 26 -3.336 -1.732 2.553 1.00 31.51 H new ATOM 0 HD23 LEU A 26 -1.750 -1.019 2.171 1.00 31.51 H new ATOM 424 N LYS A 27 0.899 -3.063 6.122 1.00 4.11 N ATOM 425 CA LYS A 27 1.223 -3.168 7.555 1.00 73.33 C ATOM 426 C LYS A 27 1.441 -1.782 8.184 1.00 14.32 C ATOM 427 O LYS A 27 0.859 -1.450 9.216 1.00 61.43 O ATOM 428 CB LYS A 27 2.496 -4.009 7.762 1.00 43.23 C ATOM 429 CG LYS A 27 2.332 -5.504 7.503 1.00 64.45 C ATOM 430 CD LYS A 27 1.424 -6.162 8.537 1.00 70.42 C ATOM 431 CE LYS A 27 1.460 -7.683 8.440 1.00 12.14 C ATOM 432 NZ LYS A 27 2.798 -8.231 8.790 1.00 40.12 N ATOM 0 H LYS A 27 1.535 -3.574 5.510 1.00 4.11 H new ATOM 0 HA LYS A 27 0.375 -3.651 8.041 1.00 73.33 H new ATOM 0 HB2 LYS A 27 3.277 -3.626 7.105 1.00 43.23 H new ATOM 0 HB3 LYS A 27 2.843 -3.869 8.786 1.00 43.23 H new ATOM 0 HG2 LYS A 27 1.918 -5.657 6.506 1.00 64.45 H new ATOM 0 HG3 LYS A 27 3.310 -5.985 7.519 1.00 64.45 H new ATOM 0 HD2 LYS A 27 1.730 -5.855 9.537 1.00 70.42 H new ATOM 0 HD3 LYS A 27 0.401 -5.813 8.396 1.00 70.42 H new ATOM 0 HE2 LYS A 27 0.709 -8.107 9.106 1.00 12.14 H new ATOM 0 HE3 LYS A 27 1.197 -7.988 7.427 1.00 12.14 H new ATOM 0 HZ1 LYS A 27 2.712 -9.244 9.010 1.00 40.12 H new ATOM 0 HZ2 LYS A 27 3.446 -8.105 7.986 1.00 40.12 H new ATOM 0 HZ3 LYS A 27 3.173 -7.728 9.619 1.00 40.12 H new ATOM 446 N ASP A 28 2.286 -0.978 7.544 1.00 72.14 N ATOM 447 CA ASP A 28 2.677 0.328 8.078 1.00 62.15 C ATOM 448 C ASP A 28 1.580 1.387 7.841 1.00 62.12 C ATOM 449 O ASP A 28 1.485 2.374 8.572 1.00 54.51 O ATOM 450 CB ASP A 28 4.001 0.760 7.429 1.00 22.15 C ATOM 451 CG ASP A 28 4.696 1.877 8.187 1.00 12.14 C ATOM 452 OD1 ASP A 28 5.386 1.577 9.189 1.00 54.11 O ATOM 453 OD2 ASP A 28 4.567 3.052 7.785 1.00 20.14 O ATOM 0 H ASP A 28 2.717 -1.208 6.649 1.00 72.14 H new ATOM 0 HA ASP A 28 2.810 0.242 9.156 1.00 62.15 H new ATOM 0 HB2 ASP A 28 4.668 -0.100 7.369 1.00 22.15 H new ATOM 0 HB3 ASP A 28 3.809 1.087 6.407 1.00 22.15 H new ATOM 458 N LEU A 29 0.750 1.163 6.821 1.00 73.03 N ATOM 459 CA LEU A 29 -0.311 2.112 6.445 1.00 71.04 C ATOM 460 C LEU A 29 -1.575 1.920 7.310 1.00 65.22 C ATOM 461 O LEU A 29 -2.051 2.860 7.950 1.00 33.13 O ATOM 462 CB LEU A 29 -0.640 1.941 4.944 1.00 12.03 C ATOM 463 CG LEU A 29 -1.406 3.099 4.256 1.00 21.02 C ATOM 464 CD1 LEU A 29 -2.854 3.198 4.739 1.00 2.10 C ATOM 465 CD2 LEU A 29 -0.678 4.426 4.466 1.00 31.13 C ATOM 0 H LEU A 29 0.789 0.329 6.235 1.00 73.03 H new ATOM 0 HA LEU A 29 0.047 3.126 6.624 1.00 71.04 H new ATOM 0 HB2 LEU A 29 0.296 1.788 4.407 1.00 12.03 H new ATOM 0 HB3 LEU A 29 -1.227 1.030 4.827 1.00 12.03 H new ATOM 0 HG LEU A 29 -1.435 2.878 3.189 1.00 21.02 H new ATOM 0 HD11 LEU A 29 -3.352 4.023 4.230 1.00 2.10 H new ATOM 0 HD12 LEU A 29 -3.376 2.267 4.517 1.00 2.10 H new ATOM 0 HD13 LEU A 29 -2.868 3.374 5.815 1.00 2.10 H new ATOM 0 HD21 LEU A 29 -1.232 5.226 3.975 1.00 31.13 H new ATOM 0 HD22 LEU A 29 -0.605 4.636 5.533 1.00 31.13 H new ATOM 0 HD23 LEU A 29 0.323 4.363 4.040 1.00 31.13 H new ATOM 477 N LEU A 30 -2.106 0.698 7.333 1.00 51.21 N ATOM 478 CA LEU A 30 -3.374 0.410 8.028 1.00 4.04 C ATOM 479 C LEU A 30 -3.235 0.512 9.564 1.00 35.41 C ATOM 480 O LEU A 30 -4.232 0.532 10.288 1.00 21.54 O ATOM 481 CB LEU A 30 -3.871 -0.990 7.632 1.00 3.33 C ATOM 482 CG LEU A 30 -5.286 -1.361 8.114 1.00 62.43 C ATOM 483 CD1 LEU A 30 -6.327 -0.414 7.521 1.00 62.04 C ATOM 484 CD2 LEU A 30 -5.612 -2.814 7.769 1.00 10.02 C ATOM 0 H LEU A 30 -1.683 -0.112 6.881 1.00 51.21 H new ATOM 0 HA LEU A 30 -4.100 1.163 7.721 1.00 4.04 H new ATOM 0 HB2 LEU A 30 -3.845 -1.070 6.545 1.00 3.33 H new ATOM 0 HB3 LEU A 30 -3.170 -1.728 8.022 1.00 3.33 H new ATOM 0 HG LEU A 30 -5.314 -1.256 9.199 1.00 62.43 H new ATOM 0 HD11 LEU A 30 -7.319 -0.695 7.875 1.00 62.04 H new ATOM 0 HD12 LEU A 30 -6.107 0.608 7.830 1.00 62.04 H new ATOM 0 HD13 LEU A 30 -6.299 -0.478 6.433 1.00 62.04 H new ATOM 0 HD21 LEU A 30 -6.616 -3.055 8.119 1.00 10.02 H new ATOM 0 HD22 LEU A 30 -5.561 -2.952 6.689 1.00 10.02 H new ATOM 0 HD23 LEU A 30 -4.892 -3.473 8.253 1.00 10.02 H new ATOM 496 N LYS A 31 -1.995 0.600 10.043 1.00 61.30 N ATOM 497 CA LYS A 31 -1.697 0.651 11.483 1.00 23.41 C ATOM 498 C LYS A 31 -2.532 1.716 12.227 1.00 3.04 C ATOM 499 O LYS A 31 -3.036 1.470 13.327 1.00 14.24 O ATOM 500 CB LYS A 31 -0.196 0.927 11.684 1.00 2.11 C ATOM 501 CG LYS A 31 0.242 0.977 13.147 1.00 52.22 C ATOM 502 CD LYS A 31 1.757 1.133 13.287 1.00 65.24 C ATOM 503 CE LYS A 31 2.258 2.468 12.745 1.00 14.11 C ATOM 504 NZ LYS A 31 1.759 3.620 13.540 1.00 20.40 N ATOM 0 H LYS A 31 -1.167 0.638 9.449 1.00 61.30 H new ATOM 0 HA LYS A 31 -1.966 -0.316 11.908 1.00 23.41 H new ATOM 0 HB2 LYS A 31 0.376 0.153 11.172 1.00 2.11 H new ATOM 0 HB3 LYS A 31 0.054 1.876 11.209 1.00 2.11 H new ATOM 0 HG2 LYS A 31 -0.256 1.808 13.646 1.00 52.22 H new ATOM 0 HG3 LYS A 31 -0.077 0.065 13.652 1.00 52.22 H new ATOM 0 HD2 LYS A 31 2.033 1.044 14.338 1.00 65.24 H new ATOM 0 HD3 LYS A 31 2.253 0.320 12.757 1.00 65.24 H new ATOM 0 HE2 LYS A 31 3.348 2.473 12.747 1.00 14.11 H new ATOM 0 HE3 LYS A 31 1.940 2.579 11.708 1.00 14.11 H new ATOM 0 HZ1 LYS A 31 1.289 4.300 12.909 1.00 20.40 H new ATOM 0 HZ2 LYS A 31 1.081 3.282 14.252 1.00 20.40 H new ATOM 0 HZ3 LYS A 31 2.558 4.085 14.016 1.00 20.40 H new ATOM 518 N ASP A 32 -2.682 2.893 11.623 1.00 62.42 N ATOM 519 CA ASP A 32 -3.376 4.012 12.281 1.00 54.12 C ATOM 520 C ASP A 32 -4.654 4.427 11.528 1.00 3.31 C ATOM 521 O ASP A 32 -5.216 5.496 11.785 1.00 23.41 O ATOM 522 CB ASP A 32 -2.430 5.212 12.381 1.00 51.23 C ATOM 523 CG ASP A 32 -1.044 4.812 12.843 1.00 0.40 C ATOM 524 OD1 ASP A 32 -0.868 4.515 14.040 1.00 22.35 O ATOM 525 OD2 ASP A 32 -0.119 4.780 12.007 1.00 33.43 O ATOM 0 H ASP A 32 -2.337 3.102 10.686 1.00 62.42 H new ATOM 0 HA ASP A 32 -3.672 3.678 13.275 1.00 54.12 H new ATOM 0 HB2 ASP A 32 -2.360 5.699 11.408 1.00 51.23 H new ATOM 0 HB3 ASP A 32 -2.845 5.943 13.075 1.00 51.23 H new ATOM 530 N MET A 33 -5.129 3.573 10.624 1.00 53.22 N ATOM 531 CA MET A 33 -6.251 3.929 9.743 1.00 25.40 C ATOM 532 C MET A 33 -7.409 2.922 9.828 1.00 70.15 C ATOM 533 O MET A 33 -7.197 1.709 9.899 1.00 65.04 O ATOM 534 CB MET A 33 -5.752 4.040 8.293 1.00 4.14 C ATOM 535 CG MET A 33 -6.836 4.418 7.293 1.00 70.11 C ATOM 536 SD MET A 33 -7.654 5.976 7.703 1.00 75.35 S ATOM 537 CE MET A 33 -6.294 7.133 7.553 1.00 42.45 C ATOM 0 H MET A 33 -4.760 2.633 10.479 1.00 53.22 H new ATOM 0 HA MET A 33 -6.640 4.890 10.079 1.00 25.40 H new ATOM 0 HB2 MET A 33 -4.956 4.784 8.249 1.00 4.14 H new ATOM 0 HB3 MET A 33 -5.314 3.087 7.996 1.00 4.14 H new ATOM 0 HG2 MET A 33 -6.396 4.495 6.299 1.00 70.11 H new ATOM 0 HG3 MET A 33 -7.580 3.622 7.252 1.00 70.11 H new ATOM 0 HE1 MET A 33 -6.683 8.151 7.530 1.00 42.45 H new ATOM 0 HE2 MET A 33 -5.624 7.020 8.406 1.00 42.45 H new ATOM 0 HE3 MET A 33 -5.746 6.933 6.632 1.00 42.45 H new ATOM 547 N ASN A 34 -8.639 3.439 9.811 1.00 45.50 N ATOM 548 CA ASN A 34 -9.845 2.603 9.789 1.00 41.35 C ATOM 549 C ASN A 34 -10.272 2.311 8.339 1.00 60.04 C ATOM 550 O ASN A 34 -10.335 3.218 7.508 1.00 13.13 O ATOM 551 CB ASN A 34 -10.986 3.299 10.544 1.00 21.01 C ATOM 552 CG ASN A 34 -10.642 3.560 11.998 1.00 31.11 C ATOM 553 OD1 ASN A 34 -9.921 2.795 12.629 1.00 42.33 O ATOM 554 ND2 ASN A 34 -11.144 4.650 12.538 1.00 41.55 N ATOM 0 H ASN A 34 -8.829 4.441 9.812 1.00 45.50 H new ATOM 0 HA ASN A 34 -9.619 1.658 10.282 1.00 41.35 H new ATOM 0 HB2 ASN A 34 -11.220 4.244 10.053 1.00 21.01 H new ATOM 0 HB3 ASN A 34 -11.883 2.682 10.491 1.00 21.01 H new ATOM 0 HD21 ASN A 34 -10.937 4.880 13.510 1.00 41.55 H new ATOM 0 HD22 ASN A 34 -11.741 5.265 11.985 1.00 41.55 H new ATOM 561 N GLN A 35 -10.575 1.049 8.041 1.00 72.22 N ATOM 562 CA GLN A 35 -10.883 0.632 6.666 1.00 41.11 C ATOM 563 C GLN A 35 -12.098 1.376 6.081 1.00 52.40 C ATOM 564 O GLN A 35 -12.119 1.704 4.895 1.00 15.15 O ATOM 565 CB GLN A 35 -11.110 -0.881 6.606 1.00 51.54 C ATOM 566 CG GLN A 35 -9.923 -1.692 7.113 1.00 34.32 C ATOM 567 CD GLN A 35 -10.090 -3.182 6.889 1.00 63.54 C ATOM 568 OE1 GLN A 35 -10.643 -3.895 7.722 1.00 60.24 O ATOM 569 NE2 GLN A 35 -9.613 -3.665 5.760 1.00 44.14 N ATOM 0 H GLN A 35 -10.615 0.296 8.728 1.00 72.22 H new ATOM 0 HA GLN A 35 -10.020 0.894 6.053 1.00 41.11 H new ATOM 0 HB2 GLN A 35 -11.991 -1.132 7.196 1.00 51.54 H new ATOM 0 HB3 GLN A 35 -11.324 -1.168 5.576 1.00 51.54 H new ATOM 0 HG2 GLN A 35 -9.017 -1.353 6.611 1.00 34.32 H new ATOM 0 HG3 GLN A 35 -9.788 -1.502 8.178 1.00 34.32 H new ATOM 0 HE21 GLN A 35 -9.159 -3.043 5.091 1.00 44.14 H new ATOM 0 HE22 GLN A 35 -9.697 -4.661 5.555 1.00 44.14 H new ATOM 578 N SER A 36 -13.107 1.644 6.909 1.00 0.11 N ATOM 579 CA SER A 36 -14.288 2.403 6.463 1.00 34.32 C ATOM 580 C SER A 36 -13.905 3.804 5.963 1.00 71.20 C ATOM 581 O SER A 36 -14.561 4.360 5.084 1.00 10.11 O ATOM 582 CB SER A 36 -15.322 2.520 7.592 1.00 0.04 C ATOM 583 OG SER A 36 -15.921 1.265 7.870 1.00 52.32 O ATOM 0 H SER A 36 -13.136 1.352 7.886 1.00 0.11 H new ATOM 0 HA SER A 36 -14.728 1.852 5.632 1.00 34.32 H new ATOM 0 HB2 SER A 36 -14.840 2.903 8.492 1.00 0.04 H new ATOM 0 HB3 SER A 36 -16.091 3.239 7.311 1.00 0.04 H new ATOM 0 HG SER A 36 -16.574 1.367 8.594 1.00 52.32 H new ATOM 589 N SER A 37 -12.839 4.366 6.527 1.00 43.04 N ATOM 590 CA SER A 37 -12.323 5.669 6.082 1.00 60.32 C ATOM 591 C SER A 37 -11.380 5.501 4.881 1.00 60.14 C ATOM 592 O SER A 37 -11.487 6.214 3.883 1.00 61.22 O ATOM 593 CB SER A 37 -11.585 6.375 7.230 1.00 44.50 C ATOM 594 OG SER A 37 -11.089 7.639 6.824 1.00 63.31 O ATOM 0 H SER A 37 -12.312 3.945 7.292 1.00 43.04 H new ATOM 0 HA SER A 37 -13.172 6.281 5.776 1.00 60.32 H new ATOM 0 HB2 SER A 37 -12.261 6.502 8.076 1.00 44.50 H new ATOM 0 HB3 SER A 37 -10.759 5.751 7.572 1.00 44.50 H new ATOM 0 HG SER A 37 -10.626 8.065 7.575 1.00 63.31 H new ATOM 600 N LEU A 38 -10.474 4.527 4.979 1.00 14.23 N ATOM 601 CA LEU A 38 -9.506 4.238 3.913 1.00 32.22 C ATOM 602 C LEU A 38 -10.202 3.872 2.591 1.00 31.12 C ATOM 603 O LEU A 38 -9.677 4.137 1.508 1.00 24.33 O ATOM 604 CB LEU A 38 -8.573 3.098 4.350 1.00 22.12 C ATOM 605 CG LEU A 38 -7.412 2.785 3.388 1.00 12.23 C ATOM 606 CD1 LEU A 38 -6.506 4.006 3.217 1.00 3.11 C ATOM 607 CD2 LEU A 38 -6.608 1.577 3.879 1.00 43.21 C ATOM 0 H LEU A 38 -10.388 3.918 5.793 1.00 14.23 H new ATOM 0 HA LEU A 38 -8.923 5.143 3.739 1.00 32.22 H new ATOM 0 HB2 LEU A 38 -8.156 3.347 5.326 1.00 22.12 H new ATOM 0 HB3 LEU A 38 -9.168 2.194 4.479 1.00 22.12 H new ATOM 0 HG LEU A 38 -7.836 2.537 2.415 1.00 12.23 H new ATOM 0 HD11 LEU A 38 -5.693 3.763 2.533 1.00 3.11 H new ATOM 0 HD12 LEU A 38 -7.086 4.835 2.811 1.00 3.11 H new ATOM 0 HD13 LEU A 38 -6.094 4.291 4.185 1.00 3.11 H new ATOM 0 HD21 LEU A 38 -5.793 1.375 3.183 1.00 43.21 H new ATOM 0 HD22 LEU A 38 -6.198 1.790 4.866 1.00 43.21 H new ATOM 0 HD23 LEU A 38 -7.260 0.705 3.937 1.00 43.21 H new ATOM 619 N ALA A 39 -11.389 3.268 2.687 1.00 73.21 N ATOM 620 CA ALA A 39 -12.189 2.921 1.504 1.00 24.22 C ATOM 621 C ALA A 39 -12.510 4.162 0.652 1.00 4.20 C ATOM 622 O ALA A 39 -12.698 4.067 -0.562 1.00 34.23 O ATOM 623 CB ALA A 39 -13.477 2.224 1.928 1.00 64.42 C ATOM 0 H ALA A 39 -11.821 3.007 3.574 1.00 73.21 H new ATOM 0 HA ALA A 39 -11.598 2.242 0.889 1.00 24.22 H new ATOM 0 HB1 ALA A 39 -14.062 1.971 1.044 1.00 64.42 H new ATOM 0 HB2 ALA A 39 -13.235 1.313 2.475 1.00 64.42 H new ATOM 0 HB3 ALA A 39 -14.056 2.889 2.569 1.00 64.42 H new ATOM 629 N LYS A 40 -12.576 5.327 1.298 1.00 12.42 N ATOM 630 CA LYS A 40 -12.804 6.592 0.594 1.00 23.30 C ATOM 631 C LYS A 40 -11.531 7.055 -0.132 1.00 44.25 C ATOM 632 O LYS A 40 -11.596 7.775 -1.134 1.00 53.42 O ATOM 633 CB LYS A 40 -13.263 7.680 1.576 1.00 54.24 C ATOM 634 CG LYS A 40 -14.542 7.333 2.334 1.00 23.34 C ATOM 635 CD LYS A 40 -14.957 8.459 3.275 1.00 15.41 C ATOM 636 CE LYS A 40 -13.896 8.743 4.333 1.00 73.40 C ATOM 637 NZ LYS A 40 -14.231 9.939 5.151 1.00 63.43 N ATOM 0 H LYS A 40 -12.475 5.422 2.309 1.00 12.42 H new ATOM 0 HA LYS A 40 -13.587 6.425 -0.146 1.00 23.30 H new ATOM 0 HB2 LYS A 40 -12.465 7.865 2.295 1.00 54.24 H new ATOM 0 HB3 LYS A 40 -13.419 8.608 1.027 1.00 54.24 H new ATOM 0 HG2 LYS A 40 -15.345 7.136 1.624 1.00 23.34 H new ATOM 0 HG3 LYS A 40 -14.390 6.417 2.905 1.00 23.34 H new ATOM 0 HD2 LYS A 40 -15.143 9.364 2.697 1.00 15.41 H new ATOM 0 HD3 LYS A 40 -15.895 8.195 3.764 1.00 15.41 H new ATOM 0 HE2 LYS A 40 -13.793 7.875 4.985 1.00 73.40 H new ATOM 0 HE3 LYS A 40 -12.932 8.894 3.848 1.00 73.40 H new ATOM 0 HZ1 LYS A 40 -13.484 10.097 5.858 1.00 63.43 H new ATOM 0 HZ2 LYS A 40 -14.305 10.772 4.533 1.00 63.43 H new ATOM 0 HZ3 LYS A 40 -15.139 9.785 5.635 1.00 63.43 H new ATOM 651 N GLU A 41 -10.379 6.632 0.383 1.00 64.01 N ATOM 652 CA GLU A 41 -9.076 6.985 -0.195 1.00 53.43 C ATOM 653 C GLU A 41 -8.675 5.998 -1.306 1.00 23.44 C ATOM 654 O GLU A 41 -8.692 6.337 -2.490 1.00 75.30 O ATOM 655 CB GLU A 41 -8.001 7.000 0.905 1.00 62.42 C ATOM 656 CG GLU A 41 -8.318 7.914 2.087 1.00 34.45 C ATOM 657 CD GLU A 41 -8.348 9.391 1.714 1.00 15.23 C ATOM 658 OE1 GLU A 41 -9.424 9.893 1.322 1.00 20.13 O ATOM 659 OE2 GLU A 41 -7.298 10.061 1.819 1.00 15.25 O ATOM 0 H GLU A 41 -10.318 6.037 1.209 1.00 64.01 H new ATOM 0 HA GLU A 41 -9.158 7.978 -0.636 1.00 53.43 H new ATOM 0 HB2 GLU A 41 -7.863 5.984 1.274 1.00 62.42 H new ATOM 0 HB3 GLU A 41 -7.053 7.311 0.465 1.00 62.42 H new ATOM 0 HG2 GLU A 41 -9.284 7.632 2.507 1.00 34.45 H new ATOM 0 HG3 GLU A 41 -7.574 7.758 2.868 1.00 34.45 H new ATOM 666 N CYS A 42 -8.336 4.769 -0.915 1.00 11.44 N ATOM 667 CA CYS A 42 -7.876 3.744 -1.864 1.00 33.40 C ATOM 668 C CYS A 42 -9.048 2.899 -2.391 1.00 15.31 C ATOM 669 O CYS A 42 -9.925 2.497 -1.627 1.00 12.21 O ATOM 670 CB CYS A 42 -6.849 2.824 -1.192 1.00 42.43 C ATOM 671 SG CYS A 42 -7.530 1.841 0.164 1.00 20.41 S ATOM 0 H CYS A 42 -8.370 4.455 0.055 1.00 11.44 H new ATOM 0 HA CYS A 42 -7.415 4.259 -2.707 1.00 33.40 H new ATOM 0 HB2 CYS A 42 -6.431 2.152 -1.942 1.00 42.43 H new ATOM 0 HB3 CYS A 42 -6.026 3.429 -0.812 1.00 42.43 H new ATOM 0 HG CYS A 42 -8.815 1.717 0.007 1.00 20.41 H new ATOM 677 N PRO A 43 -9.066 2.598 -3.706 1.00 5.24 N ATOM 678 CA PRO A 43 -10.139 1.802 -4.336 1.00 1.10 C ATOM 679 C PRO A 43 -10.055 0.289 -4.030 1.00 4.10 C ATOM 680 O PRO A 43 -10.722 -0.518 -4.681 1.00 52.43 O ATOM 681 CB PRO A 43 -9.939 2.054 -5.850 1.00 51.24 C ATOM 682 CG PRO A 43 -8.890 3.119 -5.955 1.00 73.25 C ATOM 683 CD PRO A 43 -8.070 3.021 -4.701 1.00 5.23 C ATOM 0 HA PRO A 43 -11.116 2.100 -3.956 1.00 1.10 H new ATOM 0 HB2 PRO A 43 -9.623 1.143 -6.359 1.00 51.24 H new ATOM 0 HB3 PRO A 43 -10.869 2.375 -6.319 1.00 51.24 H new ATOM 0 HG2 PRO A 43 -8.270 2.969 -6.839 1.00 73.25 H new ATOM 0 HG3 PRO A 43 -9.344 4.106 -6.048 1.00 73.25 H new ATOM 0 HD2 PRO A 43 -7.261 2.297 -4.800 1.00 5.23 H new ATOM 0 HD3 PRO A 43 -7.613 3.975 -4.439 1.00 5.23 H new ATOM 691 N LEU A 44 -9.246 -0.094 -3.040 1.00 40.32 N ATOM 692 CA LEU A 44 -9.096 -1.506 -2.659 1.00 1.15 C ATOM 693 C LEU A 44 -10.188 -1.936 -1.668 1.00 60.23 C ATOM 694 O LEU A 44 -10.504 -1.215 -0.721 1.00 32.24 O ATOM 695 CB LEU A 44 -7.706 -1.769 -2.054 1.00 32.33 C ATOM 696 CG LEU A 44 -6.522 -1.712 -3.039 1.00 11.21 C ATOM 697 CD1 LEU A 44 -6.290 -0.290 -3.552 1.00 62.02 C ATOM 698 CD2 LEU A 44 -5.257 -2.265 -2.387 1.00 34.53 C ATOM 0 H LEU A 44 -8.683 0.551 -2.486 1.00 40.32 H new ATOM 0 HA LEU A 44 -9.201 -2.100 -3.567 1.00 1.15 H new ATOM 0 HB2 LEU A 44 -7.531 -1.039 -1.263 1.00 32.33 H new ATOM 0 HB3 LEU A 44 -7.716 -2.752 -1.584 1.00 32.33 H new ATOM 0 HG LEU A 44 -6.771 -2.335 -3.898 1.00 11.21 H new ATOM 0 HD11 LEU A 44 -5.448 -0.286 -4.244 1.00 62.02 H new ATOM 0 HD12 LEU A 44 -7.184 0.062 -4.066 1.00 62.02 H new ATOM 0 HD13 LEU A 44 -6.072 0.369 -2.712 1.00 62.02 H new ATOM 0 HD21 LEU A 44 -4.431 -2.217 -3.097 1.00 34.53 H new ATOM 0 HD22 LEU A 44 -5.013 -1.672 -1.506 1.00 34.53 H new ATOM 0 HD23 LEU A 44 -5.423 -3.301 -2.093 1.00 34.53 H new ATOM 710 N SER A 45 -10.758 -3.118 -1.895 1.00 1.43 N ATOM 711 CA SER A 45 -11.845 -3.636 -1.051 1.00 34.41 C ATOM 712 C SER A 45 -11.332 -4.118 0.318 1.00 42.24 C ATOM 713 O SER A 45 -10.212 -4.621 0.433 1.00 22.53 O ATOM 714 CB SER A 45 -12.582 -4.780 -1.767 1.00 71.31 C ATOM 715 OG SER A 45 -13.156 -4.338 -2.989 1.00 3.14 O ATOM 0 H SER A 45 -10.488 -3.740 -2.657 1.00 1.43 H new ATOM 0 HA SER A 45 -12.538 -2.813 -0.876 1.00 34.41 H new ATOM 0 HB2 SER A 45 -11.887 -5.597 -1.963 1.00 71.31 H new ATOM 0 HB3 SER A 45 -13.363 -5.175 -1.118 1.00 71.31 H new ATOM 0 HG SER A 45 -13.617 -5.086 -3.424 1.00 3.14 H new ATOM 721 N GLN A 46 -12.182 -3.980 1.342 1.00 1.54 N ATOM 722 CA GLN A 46 -11.831 -4.324 2.733 1.00 71.43 C ATOM 723 C GLN A 46 -11.140 -5.696 2.851 1.00 2.04 C ATOM 724 O GLN A 46 -10.003 -5.796 3.323 1.00 41.44 O ATOM 725 CB GLN A 46 -13.099 -4.335 3.599 1.00 13.10 C ATOM 726 CG GLN A 46 -12.839 -4.600 5.083 1.00 35.21 C ATOM 727 CD GLN A 46 -13.999 -5.294 5.781 1.00 72.53 C ATOM 728 OE1 GLN A 46 -14.680 -6.178 5.078 1.00 63.51 O flip ATOM 729 NE2 GLN A 46 -14.268 -5.056 6.953 1.00 4.22 N flip ATOM 0 H GLN A 46 -13.133 -3.627 1.234 1.00 1.54 H new ATOM 0 HA GLN A 46 -11.129 -3.565 3.078 1.00 71.43 H new ATOM 0 HB2 GLN A 46 -13.605 -3.375 3.495 1.00 13.10 H new ATOM 0 HB3 GLN A 46 -13.779 -5.097 3.219 1.00 13.10 H new ATOM 0 HG2 GLN A 46 -11.943 -5.213 5.184 1.00 35.21 H new ATOM 0 HG3 GLN A 46 -12.636 -3.654 5.584 1.00 35.21 H new ATOM 0 HE21 GLN A 46 -13.723 -4.367 7.471 1.00 4.22 H new ATOM 0 HE22 GLN A 46 -15.036 -5.547 7.410 1.00 4.22 H new ATOM 738 N SER A 47 -11.843 -6.748 2.430 1.00 21.50 N ATOM 739 CA SER A 47 -11.332 -8.124 2.539 1.00 15.24 C ATOM 740 C SER A 47 -10.015 -8.298 1.774 1.00 31.22 C ATOM 741 O SER A 47 -9.088 -8.954 2.251 1.00 41.11 O ATOM 742 CB SER A 47 -12.367 -9.130 2.017 1.00 13.54 C ATOM 743 OG SER A 47 -11.881 -10.462 2.097 1.00 23.11 O ATOM 0 H SER A 47 -12.770 -6.678 2.009 1.00 21.50 H new ATOM 0 HA SER A 47 -11.144 -8.316 3.595 1.00 15.24 H new ATOM 0 HB2 SER A 47 -13.287 -9.041 2.595 1.00 13.54 H new ATOM 0 HB3 SER A 47 -12.617 -8.894 0.983 1.00 13.54 H new ATOM 0 HG SER A 47 -12.563 -11.080 1.759 1.00 23.11 H new ATOM 749 N MET A 48 -9.926 -7.675 0.601 1.00 2.32 N ATOM 750 CA MET A 48 -8.727 -7.764 -0.238 1.00 13.54 C ATOM 751 C MET A 48 -7.516 -7.071 0.415 1.00 21.31 C ATOM 752 O MET A 48 -6.401 -7.108 -0.116 1.00 70.02 O ATOM 753 CB MET A 48 -9.009 -7.157 -1.615 1.00 33.14 C ATOM 754 CG MET A 48 -10.098 -7.885 -2.392 1.00 65.34 C ATOM 755 SD MET A 48 -10.405 -7.150 -4.009 1.00 33.33 S ATOM 756 CE MET A 48 -11.692 -8.235 -4.626 1.00 44.32 C ATOM 0 H MET A 48 -10.671 -7.101 0.207 1.00 2.32 H new ATOM 0 HA MET A 48 -8.476 -8.819 -0.351 1.00 13.54 H new ATOM 0 HB2 MET A 48 -9.299 -6.114 -1.490 1.00 33.14 H new ATOM 0 HB3 MET A 48 -8.090 -7.164 -2.201 1.00 33.14 H new ATOM 0 HG2 MET A 48 -9.812 -8.929 -2.520 1.00 65.34 H new ATOM 0 HG3 MET A 48 -11.021 -7.876 -1.812 1.00 65.34 H new ATOM 0 HE1 MET A 48 -11.993 -7.912 -5.623 1.00 44.32 H new ATOM 0 HE2 MET A 48 -11.315 -9.257 -4.674 1.00 44.32 H new ATOM 0 HE3 MET A 48 -12.552 -8.197 -3.957 1.00 44.32 H new ATOM 766 N ILE A 49 -7.756 -6.399 1.538 1.00 73.21 N ATOM 767 CA ILE A 49 -6.684 -5.856 2.376 1.00 51.31 C ATOM 768 C ILE A 49 -6.467 -6.742 3.619 1.00 72.43 C ATOM 769 O ILE A 49 -5.403 -7.339 3.799 1.00 23.34 O ATOM 770 CB ILE A 49 -7.010 -4.405 2.830 1.00 64.01 C ATOM 771 CG1 ILE A 49 -7.210 -3.490 1.607 1.00 51.13 C ATOM 772 CG2 ILE A 49 -5.911 -3.862 3.741 1.00 61.10 C ATOM 773 CD1 ILE A 49 -7.622 -2.075 1.960 1.00 34.34 C ATOM 0 H ILE A 49 -8.694 -6.215 1.894 1.00 73.21 H new ATOM 0 HA ILE A 49 -5.773 -5.842 1.777 1.00 51.31 H new ATOM 0 HB ILE A 49 -7.939 -4.424 3.399 1.00 64.01 H new ATOM 0 HG12 ILE A 49 -6.283 -3.456 1.035 1.00 51.13 H new ATOM 0 HG13 ILE A 49 -7.969 -3.928 0.958 1.00 51.13 H new ATOM 0 HG21 ILE A 49 -6.160 -2.846 4.046 1.00 61.10 H new ATOM 0 HG22 ILE A 49 -5.825 -4.495 4.624 1.00 61.10 H new ATOM 0 HG23 ILE A 49 -4.963 -3.857 3.204 1.00 61.10 H new ATOM 0 HD11 ILE A 49 -7.743 -1.493 1.047 1.00 34.34 H new ATOM 0 HD12 ILE A 49 -8.566 -2.096 2.505 1.00 34.34 H new ATOM 0 HD13 ILE A 49 -6.854 -1.617 2.583 1.00 34.34 H new ATOM 785 N SER A 50 -7.501 -6.842 4.456 1.00 12.44 N ATOM 786 CA SER A 50 -7.423 -7.575 5.729 1.00 63.22 C ATOM 787 C SER A 50 -7.094 -9.063 5.538 1.00 52.53 C ATOM 788 O SER A 50 -6.154 -9.581 6.142 1.00 51.33 O ATOM 789 CB SER A 50 -8.748 -7.452 6.495 1.00 65.14 C ATOM 790 OG SER A 50 -9.102 -6.095 6.696 1.00 12.32 O ATOM 0 H SER A 50 -8.413 -6.421 4.276 1.00 12.44 H new ATOM 0 HA SER A 50 -6.610 -7.123 6.297 1.00 63.22 H new ATOM 0 HB2 SER A 50 -9.539 -7.958 5.942 1.00 65.14 H new ATOM 0 HB3 SER A 50 -8.662 -7.954 7.459 1.00 65.14 H new ATOM 0 HG SER A 50 -9.897 -6.045 7.267 1.00 12.32 H new ATOM 796 N SER A 51 -7.868 -9.745 4.693 1.00 2.34 N ATOM 797 CA SER A 51 -7.742 -11.203 4.518 1.00 52.04 C ATOM 798 C SER A 51 -6.343 -11.617 4.049 1.00 50.55 C ATOM 799 O SER A 51 -5.905 -12.740 4.304 1.00 11.41 O ATOM 800 CB SER A 51 -8.797 -11.726 3.532 1.00 33.12 C ATOM 801 OG SER A 51 -10.106 -11.545 4.050 1.00 63.03 O ATOM 0 H SER A 51 -8.591 -9.316 4.116 1.00 2.34 H new ATOM 0 HA SER A 51 -7.908 -11.650 5.498 1.00 52.04 H new ATOM 0 HB2 SER A 51 -8.702 -11.203 2.580 1.00 33.12 H new ATOM 0 HB3 SER A 51 -8.623 -12.784 3.333 1.00 33.12 H new ATOM 0 HG SER A 51 -10.685 -11.171 3.353 1.00 63.03 H new ATOM 807 N ILE A 52 -5.647 -10.709 3.373 1.00 3.22 N ATOM 808 CA ILE A 52 -4.280 -10.969 2.907 1.00 21.40 C ATOM 809 C ILE A 52 -3.236 -10.563 3.968 1.00 22.54 C ATOM 810 O ILE A 52 -2.270 -11.289 4.220 1.00 32.12 O ATOM 811 CB ILE A 52 -3.991 -10.223 1.575 1.00 63.42 C ATOM 812 CG1 ILE A 52 -5.057 -10.582 0.521 1.00 54.33 C ATOM 813 CG2 ILE A 52 -2.592 -10.564 1.058 1.00 44.05 C ATOM 814 CD1 ILE A 52 -4.845 -9.919 -0.827 1.00 21.12 C ATOM 0 H ILE A 52 -6.003 -9.784 3.133 1.00 3.22 H new ATOM 0 HA ILE A 52 -4.200 -12.042 2.734 1.00 21.40 H new ATOM 0 HB ILE A 52 -4.033 -9.150 1.763 1.00 63.42 H new ATOM 0 HG12 ILE A 52 -5.067 -11.663 0.384 1.00 54.33 H new ATOM 0 HG13 ILE A 52 -6.038 -10.300 0.902 1.00 54.33 H new ATOM 0 HG21 ILE A 52 -2.409 -10.032 0.125 1.00 44.05 H new ATOM 0 HG22 ILE A 52 -1.848 -10.266 1.797 1.00 44.05 H new ATOM 0 HG23 ILE A 52 -2.520 -11.638 0.883 1.00 44.05 H new ATOM 0 HD11 ILE A 52 -5.637 -10.224 -1.511 1.00 21.12 H new ATOM 0 HD12 ILE A 52 -4.866 -8.836 -0.707 1.00 21.12 H new ATOM 0 HD13 ILE A 52 -3.879 -10.221 -1.233 1.00 21.12 H new ATOM 826 N VAL A 53 -3.439 -9.404 4.594 1.00 13.02 N ATOM 827 CA VAL A 53 -2.529 -8.916 5.640 1.00 21.13 C ATOM 828 C VAL A 53 -2.757 -9.652 6.971 1.00 10.43 C ATOM 829 O VAL A 53 -1.896 -10.408 7.430 1.00 54.43 O ATOM 830 CB VAL A 53 -2.692 -7.391 5.858 1.00 13.21 C ATOM 831 CG1 VAL A 53 -1.788 -6.897 6.986 1.00 10.03 C ATOM 832 CG2 VAL A 53 -2.403 -6.636 4.563 1.00 23.44 C ATOM 0 H VAL A 53 -4.224 -8.783 4.398 1.00 13.02 H new ATOM 0 HA VAL A 53 -1.514 -9.118 5.297 1.00 21.13 H new ATOM 0 HB VAL A 53 -3.724 -7.197 6.150 1.00 13.21 H new ATOM 0 HG11 VAL A 53 -1.923 -5.823 7.117 1.00 10.03 H new ATOM 0 HG12 VAL A 53 -2.047 -7.411 7.912 1.00 10.03 H new ATOM 0 HG13 VAL A 53 -0.748 -7.104 6.735 1.00 10.03 H new ATOM 0 HG21 VAL A 53 -2.522 -5.566 4.732 1.00 23.44 H new ATOM 0 HG22 VAL A 53 -1.382 -6.842 4.242 1.00 23.44 H new ATOM 0 HG23 VAL A 53 -3.099 -6.961 3.789 1.00 23.44 H new ATOM 842 N ASN A 54 -3.928 -9.438 7.580 1.00 42.41 N ATOM 843 CA ASN A 54 -4.290 -10.112 8.839 1.00 35.31 C ATOM 844 C ASN A 54 -4.327 -11.639 8.645 1.00 72.04 C ATOM 845 O ASN A 54 -4.184 -12.407 9.601 1.00 62.30 O ATOM 846 CB ASN A 54 -5.654 -9.605 9.335 1.00 42.31 C ATOM 847 CG ASN A 54 -6.044 -10.182 10.689 1.00 62.31 C ATOM 848 OD1 ASN A 54 -6.671 -11.230 10.776 1.00 34.31 O ATOM 849 ND2 ASN A 54 -5.686 -9.497 11.759 1.00 71.01 N ATOM 0 H ASN A 54 -4.644 -8.804 7.224 1.00 42.41 H new ATOM 0 HA ASN A 54 -3.533 -9.879 9.588 1.00 35.31 H new ATOM 0 HB2 ASN A 54 -5.629 -8.517 9.403 1.00 42.31 H new ATOM 0 HB3 ASN A 54 -6.419 -9.861 8.602 1.00 42.31 H new ATOM 0 HD21 ASN A 54 -5.931 -9.838 12.688 1.00 71.01 H new ATOM 0 HD22 ASN A 54 -5.164 -8.627 11.656 1.00 71.01 H new ATOM 856 N SER A 55 -4.525 -12.054 7.390 1.00 63.50 N ATOM 857 CA SER A 55 -4.467 -13.469 6.989 1.00 33.43 C ATOM 858 C SER A 55 -5.678 -14.268 7.498 1.00 52.53 C ATOM 859 O SER A 55 -5.734 -14.668 8.661 1.00 13.42 O ATOM 860 CB SER A 55 -3.154 -14.122 7.458 1.00 73.51 C ATOM 861 OG SER A 55 -2.016 -13.381 7.020 1.00 52.31 O ATOM 0 H SER A 55 -4.731 -11.419 6.619 1.00 63.50 H new ATOM 0 HA SER A 55 -4.498 -13.490 5.900 1.00 33.43 H new ATOM 0 HB2 SER A 55 -3.149 -14.190 8.546 1.00 73.51 H new ATOM 0 HB3 SER A 55 -3.096 -15.141 7.075 1.00 73.51 H new ATOM 0 HG SER A 55 -2.076 -12.462 7.354 1.00 52.31 H new ATOM 867 N THR A 56 -6.654 -14.478 6.614 1.00 3.32 N ATOM 868 CA THR A 56 -7.842 -15.292 6.929 1.00 5.24 C ATOM 869 C THR A 56 -8.472 -15.891 5.656 1.00 33.25 C ATOM 870 O THR A 56 -8.158 -17.024 5.284 1.00 55.25 O ATOM 871 CB THR A 56 -8.907 -14.502 7.745 1.00 63.41 C ATOM 872 OG1 THR A 56 -10.169 -15.181 7.713 1.00 52.12 O ATOM 873 CG2 THR A 56 -9.075 -13.072 7.237 1.00 31.42 C ATOM 0 H THR A 56 -6.650 -14.096 5.668 1.00 3.32 H new ATOM 0 HA THR A 56 -7.492 -16.111 7.558 1.00 5.24 H new ATOM 0 HB THR A 56 -8.549 -14.450 8.773 1.00 63.41 H new ATOM 0 HG1 THR A 56 -10.752 -14.757 7.049 1.00 52.12 H new ATOM 0 HG21 THR A 56 -9.828 -12.559 7.836 1.00 31.42 H new ATOM 0 HG22 THR A 56 -8.125 -12.543 7.318 1.00 31.42 H new ATOM 0 HG23 THR A 56 -9.392 -13.091 6.194 1.00 31.42 H new ATOM 881 N TYR A 57 -9.335 -15.141 4.972 1.00 73.41 N ATOM 882 CA TYR A 57 -9.954 -15.628 3.733 1.00 2.34 C ATOM 883 C TYR A 57 -9.050 -15.377 2.514 1.00 24.24 C ATOM 884 O TYR A 57 -9.194 -14.368 1.815 1.00 32.12 O ATOM 885 CB TYR A 57 -11.320 -14.962 3.510 1.00 52.53 C ATOM 886 CG TYR A 57 -12.348 -15.268 4.585 1.00 45.14 C ATOM 887 CD1 TYR A 57 -12.856 -16.554 4.744 1.00 4.14 C ATOM 888 CD2 TYR A 57 -12.814 -14.273 5.438 1.00 32.22 C ATOM 889 CE1 TYR A 57 -13.801 -16.835 5.714 1.00 24.44 C ATOM 890 CE2 TYR A 57 -13.760 -14.547 6.408 1.00 53.13 C ATOM 891 CZ TYR A 57 -14.246 -15.830 6.543 1.00 23.14 C ATOM 892 OH TYR A 57 -15.194 -16.106 7.509 1.00 63.51 O ATOM 0 H TYR A 57 -9.622 -14.202 5.249 1.00 73.41 H new ATOM 0 HA TYR A 57 -10.093 -16.704 3.842 1.00 2.34 H new ATOM 0 HB2 TYR A 57 -11.180 -13.882 3.455 1.00 52.53 H new ATOM 0 HB3 TYR A 57 -11.714 -15.282 2.545 1.00 52.53 H new ATOM 0 HD1 TYR A 57 -12.506 -17.346 4.099 1.00 4.14 H new ATOM 0 HD2 TYR A 57 -12.430 -13.268 5.341 1.00 32.22 H new ATOM 0 HE1 TYR A 57 -14.188 -17.838 5.821 1.00 24.44 H new ATOM 0 HE2 TYR A 57 -14.116 -13.760 7.056 1.00 53.13 H new ATOM 0 HH TYR A 57 -15.399 -15.289 8.009 1.00 63.51 H new ATOM 902 N TYR A 58 -8.104 -16.282 2.267 1.00 13.03 N ATOM 903 CA TYR A 58 -7.211 -16.152 1.112 1.00 1.40 C ATOM 904 C TYR A 58 -6.654 -17.509 0.657 1.00 31.40 C ATOM 905 O TYR A 58 -6.441 -18.418 1.463 1.00 1.12 O ATOM 906 CB TYR A 58 -6.048 -15.191 1.430 1.00 60.45 C ATOM 907 CG TYR A 58 -4.986 -15.765 2.361 1.00 40.01 C ATOM 908 CD1 TYR A 58 -5.161 -15.773 3.743 1.00 74.13 C ATOM 909 CD2 TYR A 58 -3.803 -16.297 1.849 1.00 22.33 C ATOM 910 CE1 TYR A 58 -4.191 -16.296 4.582 1.00 50.43 C ATOM 911 CE2 TYR A 58 -2.833 -16.819 2.684 1.00 71.44 C ATOM 912 CZ TYR A 58 -3.030 -16.816 4.047 1.00 71.22 C ATOM 913 OH TYR A 58 -2.060 -17.335 4.880 1.00 72.32 O ATOM 0 H TYR A 58 -7.935 -17.106 2.844 1.00 13.03 H new ATOM 0 HA TYR A 58 -7.805 -15.743 0.295 1.00 1.40 H new ATOM 0 HB2 TYR A 58 -5.572 -14.896 0.495 1.00 60.45 H new ATOM 0 HB3 TYR A 58 -6.455 -14.285 1.879 1.00 60.45 H new ATOM 0 HD1 TYR A 58 -6.067 -15.365 4.167 1.00 74.13 H new ATOM 0 HD2 TYR A 58 -3.642 -16.301 0.781 1.00 22.33 H new ATOM 0 HE1 TYR A 58 -4.343 -16.297 5.651 1.00 50.43 H new ATOM 0 HE2 TYR A 58 -1.924 -17.228 2.269 1.00 71.44 H new ATOM 0 HH TYR A 58 -1.308 -17.661 4.343 1.00 72.32 H new ATOM 923 N ALA A 59 -6.429 -17.626 -0.645 1.00 21.24 N ATOM 924 CA ALA A 59 -5.788 -18.802 -1.240 1.00 31.52 C ATOM 925 C ALA A 59 -4.790 -18.359 -2.317 1.00 31.01 C ATOM 926 O ALA A 59 -3.618 -18.736 -2.293 1.00 64.13 O ATOM 927 CB ALA A 59 -6.838 -19.740 -1.828 1.00 13.30 C ATOM 0 H ALA A 59 -6.685 -16.909 -1.324 1.00 21.24 H new ATOM 0 HA ALA A 59 -5.248 -19.344 -0.464 1.00 31.52 H new ATOM 0 HB1 ALA A 59 -6.346 -20.608 -2.266 1.00 13.30 H new ATOM 0 HB2 ALA A 59 -7.516 -20.067 -1.040 1.00 13.30 H new ATOM 0 HB3 ALA A 59 -7.403 -19.216 -2.599 1.00 13.30 H new ATOM 933 N ASN A 60 -5.275 -17.546 -3.251 1.00 32.12 N ATOM 934 CA ASN A 60 -4.429 -16.922 -4.275 1.00 74.01 C ATOM 935 C ASN A 60 -5.137 -15.690 -4.859 1.00 11.10 C ATOM 936 O ASN A 60 -6.337 -15.727 -5.132 1.00 21.12 O ATOM 937 CB ASN A 60 -4.080 -17.929 -5.381 1.00 23.30 C ATOM 938 CG ASN A 60 -3.078 -17.372 -6.382 1.00 75.31 C ATOM 939 OD1 ASN A 60 -2.286 -16.486 -6.064 1.00 2.11 O ATOM 940 ND2 ASN A 60 -3.080 -17.901 -7.588 1.00 74.55 N ATOM 0 H ASN A 60 -6.262 -17.299 -3.323 1.00 32.12 H new ATOM 0 HA ASN A 60 -3.496 -16.601 -3.812 1.00 74.01 H new ATOM 0 HB2 ASN A 60 -3.673 -18.833 -4.929 1.00 23.30 H new ATOM 0 HB3 ASN A 60 -4.991 -18.217 -5.906 1.00 23.30 H new ATOM 0 HD21 ASN A 60 -2.412 -17.577 -8.288 1.00 74.55 H new ATOM 0 HD22 ASN A 60 -3.749 -18.634 -7.822 1.00 74.55 H new ATOM 947 N VAL A 61 -4.396 -14.603 -5.049 1.00 25.22 N ATOM 948 CA VAL A 61 -4.995 -13.325 -5.457 1.00 61.42 C ATOM 949 C VAL A 61 -4.413 -12.808 -6.783 1.00 34.13 C ATOM 950 O VAL A 61 -3.250 -13.052 -7.105 1.00 5.14 O ATOM 951 CB VAL A 61 -4.805 -12.254 -4.350 1.00 33.04 C ATOM 952 CG1 VAL A 61 -3.322 -11.974 -4.108 1.00 34.11 C ATOM 953 CG2 VAL A 61 -5.557 -10.968 -4.689 1.00 51.25 C ATOM 0 H VAL A 61 -3.383 -14.575 -4.929 1.00 25.22 H new ATOM 0 HA VAL A 61 -6.059 -13.508 -5.608 1.00 61.42 H new ATOM 0 HB VAL A 61 -5.227 -12.652 -3.427 1.00 33.04 H new ATOM 0 HG11 VAL A 61 -3.217 -11.220 -3.328 1.00 34.11 H new ATOM 0 HG12 VAL A 61 -2.825 -12.892 -3.795 1.00 34.11 H new ATOM 0 HG13 VAL A 61 -2.866 -11.610 -5.028 1.00 34.11 H new ATOM 0 HG21 VAL A 61 -5.405 -10.237 -3.895 1.00 51.25 H new ATOM 0 HG22 VAL A 61 -5.183 -10.565 -5.630 1.00 51.25 H new ATOM 0 HG23 VAL A 61 -6.621 -11.183 -4.785 1.00 51.25 H new ATOM 963 N SER A 62 -5.238 -12.103 -7.555 1.00 61.35 N ATOM 964 CA SER A 62 -4.800 -11.503 -8.822 1.00 73.44 C ATOM 965 C SER A 62 -3.965 -10.232 -8.602 1.00 21.24 C ATOM 966 O SER A 62 -4.027 -9.601 -7.545 1.00 1.20 O ATOM 967 CB SER A 62 -6.010 -11.158 -9.699 1.00 41.11 C ATOM 968 OG SER A 62 -5.613 -10.436 -10.858 1.00 35.45 O ATOM 0 H SER A 62 -6.217 -11.931 -7.328 1.00 61.35 H new ATOM 0 HA SER A 62 -4.175 -12.243 -9.321 1.00 73.44 H new ATOM 0 HB2 SER A 62 -6.522 -12.074 -9.995 1.00 41.11 H new ATOM 0 HB3 SER A 62 -6.723 -10.566 -9.124 1.00 41.11 H new ATOM 0 HG SER A 62 -6.402 -10.230 -11.401 1.00 35.45 H new ATOM 974 N ALA A 63 -3.190 -9.859 -9.618 1.00 45.32 N ATOM 975 CA ALA A 63 -2.401 -8.624 -9.590 1.00 24.04 C ATOM 976 C ALA A 63 -3.250 -7.410 -10.014 1.00 43.33 C ATOM 977 O ALA A 63 -2.826 -6.260 -9.867 1.00 44.44 O ATOM 978 CB ALA A 63 -1.180 -8.761 -10.496 1.00 12.24 C ATOM 0 H ALA A 63 -3.090 -10.397 -10.478 1.00 45.32 H new ATOM 0 HA ALA A 63 -2.067 -8.457 -8.566 1.00 24.04 H new ATOM 0 HB1 ALA A 63 -0.601 -7.838 -10.468 1.00 12.24 H new ATOM 0 HB2 ALA A 63 -0.561 -9.589 -10.150 1.00 12.24 H new ATOM 0 HB3 ALA A 63 -1.505 -8.954 -11.518 1.00 12.24 H new ATOM 984 N ALA A 64 -4.448 -7.676 -10.539 1.00 34.44 N ATOM 985 CA ALA A 64 -5.370 -6.620 -10.983 1.00 52.43 C ATOM 986 C ALA A 64 -5.677 -5.614 -9.860 1.00 50.32 C ATOM 987 O ALA A 64 -5.540 -4.404 -10.039 1.00 21.32 O ATOM 988 CB ALA A 64 -6.663 -7.242 -11.505 1.00 5.53 C ATOM 0 H ALA A 64 -4.808 -8.622 -10.669 1.00 34.44 H new ATOM 0 HA ALA A 64 -4.881 -6.070 -11.787 1.00 52.43 H new ATOM 0 HB1 ALA A 64 -7.340 -6.453 -11.832 1.00 5.53 H new ATOM 0 HB2 ALA A 64 -6.438 -7.898 -12.346 1.00 5.53 H new ATOM 0 HB3 ALA A 64 -7.135 -7.820 -10.711 1.00 5.53 H new ATOM 994 N LYS A 65 -6.069 -6.127 -8.694 1.00 24.33 N ATOM 995 CA LYS A 65 -6.385 -5.283 -7.530 1.00 43.32 C ATOM 996 C LYS A 65 -5.138 -4.552 -6.985 1.00 43.03 C ATOM 997 O LYS A 65 -5.236 -3.722 -6.082 1.00 45.42 O ATOM 998 CB LYS A 65 -7.047 -6.141 -6.435 1.00 10.44 C ATOM 999 CG LYS A 65 -6.194 -7.310 -5.926 1.00 24.31 C ATOM 1000 CD LYS A 65 -5.290 -6.915 -4.754 1.00 25.01 C ATOM 1001 CE LYS A 65 -6.103 -6.477 -3.536 1.00 74.22 C ATOM 1002 NZ LYS A 65 -5.238 -6.186 -2.361 1.00 55.21 N ATOM 0 H LYS A 65 -6.177 -7.127 -8.525 1.00 24.33 H new ATOM 0 HA LYS A 65 -7.082 -4.509 -7.851 1.00 43.32 H new ATOM 0 HB2 LYS A 65 -7.296 -5.498 -5.591 1.00 10.44 H new ATOM 0 HB3 LYS A 65 -7.986 -6.537 -6.822 1.00 10.44 H new ATOM 0 HG2 LYS A 65 -6.849 -8.124 -5.616 1.00 24.31 H new ATOM 0 HG3 LYS A 65 -5.579 -7.688 -6.743 1.00 24.31 H new ATOM 0 HD2 LYS A 65 -4.655 -7.759 -4.484 1.00 25.01 H new ATOM 0 HD3 LYS A 65 -4.629 -6.104 -5.061 1.00 25.01 H new ATOM 0 HE2 LYS A 65 -6.683 -5.589 -3.788 1.00 74.22 H new ATOM 0 HE3 LYS A 65 -6.816 -7.260 -3.276 1.00 74.22 H new ATOM 0 HZ1 LYS A 65 -5.823 -6.142 -1.502 1.00 55.21 H new ATOM 0 HZ2 LYS A 65 -4.527 -6.938 -2.258 1.00 55.21 H new ATOM 0 HZ3 LYS A 65 -4.759 -5.274 -2.500 1.00 55.21 H new ATOM 1016 N CYS A 66 -3.969 -4.873 -7.534 1.00 1.33 N ATOM 1017 CA CYS A 66 -2.716 -4.205 -7.156 1.00 62.34 C ATOM 1018 C CYS A 66 -2.348 -3.095 -8.154 1.00 61.52 C ATOM 1019 O CYS A 66 -1.585 -2.181 -7.833 1.00 71.32 O ATOM 1020 CB CYS A 66 -1.577 -5.227 -7.080 1.00 54.30 C ATOM 1021 SG CYS A 66 0.032 -4.519 -6.662 1.00 14.23 S ATOM 0 H CYS A 66 -3.858 -5.595 -8.246 1.00 1.33 H new ATOM 0 HA CYS A 66 -2.865 -3.749 -6.177 1.00 62.34 H new ATOM 0 HB2 CYS A 66 -1.832 -5.983 -6.337 1.00 54.30 H new ATOM 0 HB3 CYS A 66 -1.498 -5.737 -8.040 1.00 54.30 H new ATOM 0 HG CYS A 66 0.051 -3.261 -6.990 1.00 14.23 H new ATOM 1027 N GLN A 67 -2.909 -3.176 -9.361 1.00 23.35 N ATOM 1028 CA GLN A 67 -2.621 -2.207 -10.428 1.00 33.32 C ATOM 1029 C GLN A 67 -2.986 -0.769 -10.022 1.00 3.53 C ATOM 1030 O GLN A 67 -2.139 0.129 -10.044 1.00 34.54 O ATOM 1031 CB GLN A 67 -3.373 -2.591 -11.711 1.00 1.20 C ATOM 1032 CG GLN A 67 -2.932 -3.921 -12.319 1.00 10.24 C ATOM 1033 CD GLN A 67 -1.485 -3.910 -12.787 1.00 45.04 C ATOM 1034 OE1 GLN A 67 -0.956 -2.881 -13.193 1.00 53.21 O ATOM 1035 NE2 GLN A 67 -0.830 -5.051 -12.731 1.00 41.50 N ATOM 0 H GLN A 67 -3.570 -3.906 -9.629 1.00 23.35 H new ATOM 0 HA GLN A 67 -1.546 -2.237 -10.608 1.00 33.32 H new ATOM 0 HB2 GLN A 67 -4.440 -2.640 -11.493 1.00 1.20 H new ATOM 0 HB3 GLN A 67 -3.234 -1.802 -12.450 1.00 1.20 H new ATOM 0 HG2 GLN A 67 -3.063 -4.713 -11.581 1.00 10.24 H new ATOM 0 HG3 GLN A 67 -3.579 -4.161 -13.163 1.00 10.24 H new ATOM 0 HE21 GLN A 67 -1.297 -5.891 -12.388 1.00 41.50 H new ATOM 0 HE22 GLN A 67 0.144 -5.095 -13.030 1.00 41.50 H new ATOM 1044 N GLU A 68 -4.250 -0.543 -9.667 1.00 24.52 N ATOM 1045 CA GLU A 68 -4.703 0.801 -9.290 1.00 4.55 C ATOM 1046 C GLU A 68 -4.188 1.227 -7.906 1.00 14.33 C ATOM 1047 O GLU A 68 -4.249 2.404 -7.558 1.00 45.14 O ATOM 1048 CB GLU A 68 -6.232 0.905 -9.355 1.00 32.34 C ATOM 1049 CG GLU A 68 -6.776 0.871 -10.782 1.00 72.13 C ATOM 1050 CD GLU A 68 -8.266 1.150 -10.855 1.00 1.40 C ATOM 1051 OE1 GLU A 68 -8.657 2.336 -10.823 1.00 75.30 O ATOM 1052 OE2 GLU A 68 -9.056 0.185 -10.948 1.00 14.21 O ATOM 0 H GLU A 68 -4.973 -1.261 -9.632 1.00 24.52 H new ATOM 0 HA GLU A 68 -4.276 1.492 -10.017 1.00 4.55 H new ATOM 0 HB2 GLU A 68 -6.670 0.085 -8.786 1.00 32.34 H new ATOM 0 HB3 GLU A 68 -6.548 1.831 -8.874 1.00 32.34 H new ATOM 0 HG2 GLU A 68 -6.244 1.607 -11.385 1.00 72.13 H new ATOM 0 HG3 GLU A 68 -6.573 -0.107 -11.219 1.00 72.13 H new ATOM 1059 N PHE A 69 -3.674 0.276 -7.122 1.00 33.12 N ATOM 1060 CA PHE A 69 -3.018 0.611 -5.850 1.00 4.42 C ATOM 1061 C PHE A 69 -1.749 1.432 -6.111 1.00 70.14 C ATOM 1062 O PHE A 69 -1.580 2.529 -5.573 1.00 34.52 O ATOM 1063 CB PHE A 69 -2.670 -0.657 -5.057 1.00 44.05 C ATOM 1064 CG PHE A 69 -1.930 -0.376 -3.768 1.00 44.11 C ATOM 1065 CD1 PHE A 69 -2.616 0.039 -2.634 1.00 54.04 C ATOM 1066 CD2 PHE A 69 -0.550 -0.518 -3.692 1.00 31.43 C ATOM 1067 CE1 PHE A 69 -1.943 0.305 -1.454 1.00 54.13 C ATOM 1068 CE2 PHE A 69 0.126 -0.253 -2.515 1.00 71.42 C ATOM 1069 CZ PHE A 69 -0.571 0.158 -1.396 1.00 23.30 C ATOM 0 H PHE A 69 -3.697 -0.720 -7.339 1.00 33.12 H new ATOM 0 HA PHE A 69 -3.713 1.204 -5.256 1.00 4.42 H new ATOM 0 HB2 PHE A 69 -3.589 -1.198 -4.829 1.00 44.05 H new ATOM 0 HB3 PHE A 69 -2.062 -1.311 -5.681 1.00 44.05 H new ATOM 0 HD1 PHE A 69 -3.689 0.156 -2.673 1.00 54.04 H new ATOM 0 HD2 PHE A 69 0.002 -0.839 -4.563 1.00 31.43 H new ATOM 0 HE1 PHE A 69 -2.490 0.627 -0.580 1.00 54.13 H new ATOM 0 HE2 PHE A 69 1.199 -0.367 -2.471 1.00 71.42 H new ATOM 0 HZ PHE A 69 -0.044 0.364 -0.476 1.00 23.30 H new ATOM 1079 N GLY A 70 -0.863 0.891 -6.951 1.00 14.20 N ATOM 1080 CA GLY A 70 0.334 1.622 -7.356 1.00 62.35 C ATOM 1081 C GLY A 70 0.004 2.931 -8.065 1.00 71.44 C ATOM 1082 O GLY A 70 0.681 3.941 -7.874 1.00 30.13 O ATOM 0 H GLY A 70 -0.952 -0.040 -7.358 1.00 14.20 H new ATOM 0 HA2 GLY A 70 0.943 1.832 -6.477 1.00 62.35 H new ATOM 0 HA3 GLY A 70 0.933 0.995 -8.017 1.00 62.35 H new ATOM 1086 N ARG A 71 -1.046 2.912 -8.887 1.00 42.15 N ATOM 1087 CA ARG A 71 -1.516 4.115 -9.587 1.00 62.35 C ATOM 1088 C ARG A 71 -1.939 5.213 -8.593 1.00 33.23 C ATOM 1089 O ARG A 71 -1.500 6.363 -8.690 1.00 1.03 O ATOM 1090 CB ARG A 71 -2.694 3.758 -10.504 1.00 35.31 C ATOM 1091 CG ARG A 71 -3.189 4.916 -11.368 1.00 45.15 C ATOM 1092 CD ARG A 71 -4.433 4.535 -12.168 1.00 52.22 C ATOM 1093 NE ARG A 71 -4.223 3.344 -12.991 1.00 2.23 N ATOM 1094 CZ ARG A 71 -5.094 2.870 -13.839 1.00 3.12 C ATOM 1095 NH1 ARG A 71 -6.230 3.464 -14.030 1.00 14.32 N ATOM 1096 NH2 ARG A 71 -4.823 1.791 -14.493 1.00 4.24 N ATOM 0 H ARG A 71 -1.592 2.074 -9.087 1.00 42.15 H new ATOM 0 HA ARG A 71 -0.691 4.502 -10.186 1.00 62.35 H new ATOM 0 HB2 ARG A 71 -2.397 2.935 -11.155 1.00 35.31 H new ATOM 0 HB3 ARG A 71 -3.520 3.398 -9.891 1.00 35.31 H new ATOM 0 HG2 ARG A 71 -3.413 5.773 -10.733 1.00 45.15 H new ATOM 0 HG3 ARG A 71 -2.398 5.224 -12.051 1.00 45.15 H new ATOM 0 HD2 ARG A 71 -5.262 4.358 -11.483 1.00 52.22 H new ATOM 0 HD3 ARG A 71 -4.720 5.370 -12.808 1.00 52.22 H new ATOM 0 HE ARG A 71 -3.335 2.851 -12.895 1.00 2.23 H new ATOM 0 HH11 ARG A 71 -6.454 4.315 -13.514 1.00 14.32 H new ATOM 0 HH12 ARG A 71 -6.900 3.081 -14.697 1.00 14.32 H new ATOM 0 HH21 ARG A 71 -3.933 1.315 -14.345 1.00 4.24 H new ATOM 0 HH22 ARG A 71 -5.499 1.414 -15.158 1.00 4.24 H new ATOM 1110 N TRP A 72 -2.792 4.842 -7.638 1.00 30.51 N ATOM 1111 CA TRP A 72 -3.267 5.771 -6.606 1.00 53.43 C ATOM 1112 C TRP A 72 -2.102 6.312 -5.764 1.00 54.10 C ATOM 1113 O TRP A 72 -1.980 7.520 -5.564 1.00 51.21 O ATOM 1114 CB TRP A 72 -4.298 5.072 -5.702 1.00 50.35 C ATOM 1115 CG TRP A 72 -4.789 5.916 -4.557 1.00 1.41 C ATOM 1116 CD1 TRP A 72 -5.765 6.872 -4.597 1.00 72.15 C ATOM 1117 CD2 TRP A 72 -4.332 5.872 -3.199 1.00 51.33 C ATOM 1118 NE1 TRP A 72 -5.936 7.425 -3.350 1.00 12.33 N ATOM 1119 CE2 TRP A 72 -5.069 6.827 -2.477 1.00 0.40 C ATOM 1120 CE3 TRP A 72 -3.368 5.115 -2.524 1.00 13.41 C ATOM 1121 CZ2 TRP A 72 -4.874 7.046 -1.116 1.00 25.42 C ATOM 1122 CZ3 TRP A 72 -3.176 5.334 -1.173 1.00 24.31 C ATOM 1123 CH2 TRP A 72 -3.928 6.292 -0.482 1.00 10.15 C ATOM 0 H TRP A 72 -3.172 3.899 -7.556 1.00 30.51 H new ATOM 0 HA TRP A 72 -3.742 6.617 -7.104 1.00 53.43 H new ATOM 0 HB2 TRP A 72 -5.152 4.771 -6.309 1.00 50.35 H new ATOM 0 HB3 TRP A 72 -3.855 4.160 -5.302 1.00 50.35 H new ATOM 0 HD1 TRP A 72 -6.321 7.152 -5.480 1.00 72.15 H new ATOM 0 HE1 TRP A 72 -6.601 8.161 -3.114 1.00 12.33 H new ATOM 0 HE3 TRP A 72 -2.785 4.373 -3.049 1.00 13.41 H new ATOM 0 HZ2 TRP A 72 -5.450 7.786 -0.581 1.00 25.42 H new ATOM 0 HZ3 TRP A 72 -2.434 4.757 -0.642 1.00 24.31 H new ATOM 0 HH2 TRP A 72 -3.756 6.438 0.574 1.00 10.15 H new ATOM 1134 N TYR A 73 -1.241 5.413 -5.287 1.00 2.34 N ATOM 1135 CA TYR A 73 -0.098 5.800 -4.451 1.00 53.44 C ATOM 1136 C TYR A 73 0.904 6.667 -5.242 1.00 0.55 C ATOM 1137 O TYR A 73 1.568 7.545 -4.682 1.00 3.23 O ATOM 1138 CB TYR A 73 0.587 4.538 -3.898 1.00 74.42 C ATOM 1139 CG TYR A 73 1.394 4.767 -2.626 1.00 33.24 C ATOM 1140 CD1 TYR A 73 0.753 4.999 -1.412 1.00 3.01 C ATOM 1141 CD2 TYR A 73 2.785 4.739 -2.633 1.00 41.04 C ATOM 1142 CE1 TYR A 73 1.472 5.200 -0.249 1.00 4.32 C ATOM 1143 CE2 TYR A 73 3.510 4.938 -1.471 1.00 4.23 C ATOM 1144 CZ TYR A 73 2.849 5.167 -0.282 1.00 31.31 C ATOM 1145 OH TYR A 73 3.569 5.366 0.877 1.00 2.22 O ATOM 0 H TYR A 73 -1.311 4.411 -5.464 1.00 2.34 H new ATOM 0 HA TYR A 73 -0.462 6.402 -3.618 1.00 53.44 H new ATOM 0 HB2 TYR A 73 -0.174 3.783 -3.700 1.00 74.42 H new ATOM 0 HB3 TYR A 73 1.247 4.132 -4.665 1.00 74.42 H new ATOM 0 HD1 TYR A 73 -0.326 5.022 -1.379 1.00 3.01 H new ATOM 0 HD2 TYR A 73 3.308 4.559 -3.561 1.00 41.04 H new ATOM 0 HE1 TYR A 73 0.956 5.382 0.682 1.00 4.32 H new ATOM 0 HE2 TYR A 73 4.589 4.914 -1.495 1.00 4.23 H new ATOM 0 HH TYR A 73 4.527 5.310 0.680 1.00 2.22 H new ATOM 1155 N LYS A 74 0.998 6.416 -6.549 1.00 55.12 N ATOM 1156 CA LYS A 74 1.804 7.241 -7.457 1.00 52.01 C ATOM 1157 C LYS A 74 1.306 8.698 -7.470 1.00 12.43 C ATOM 1158 O LYS A 74 2.096 9.640 -7.341 1.00 41.42 O ATOM 1159 CB LYS A 74 1.762 6.634 -8.871 1.00 71.25 C ATOM 1160 CG LYS A 74 2.383 7.499 -9.968 1.00 45.32 C ATOM 1161 CD LYS A 74 2.488 6.744 -11.297 1.00 52.14 C ATOM 1162 CE LYS A 74 1.148 6.165 -11.741 1.00 13.42 C ATOM 1163 NZ LYS A 74 1.279 5.360 -12.984 1.00 54.22 N ATOM 0 H LYS A 74 0.521 5.640 -7.008 1.00 55.12 H new ATOM 0 HA LYS A 74 2.835 7.253 -7.104 1.00 52.01 H new ATOM 0 HB2 LYS A 74 2.277 5.673 -8.852 1.00 71.25 H new ATOM 0 HB3 LYS A 74 0.723 6.434 -9.133 1.00 71.25 H new ATOM 0 HG2 LYS A 74 1.781 8.397 -10.107 1.00 45.32 H new ATOM 0 HG3 LYS A 74 3.375 7.825 -9.656 1.00 45.32 H new ATOM 0 HD2 LYS A 74 2.863 7.418 -12.067 1.00 52.14 H new ATOM 0 HD3 LYS A 74 3.215 5.938 -11.198 1.00 52.14 H new ATOM 0 HE2 LYS A 74 0.740 5.541 -10.945 1.00 13.42 H new ATOM 0 HE3 LYS A 74 0.438 6.976 -11.906 1.00 13.42 H new ATOM 0 HZ1 LYS A 74 0.348 4.984 -13.254 1.00 54.22 H new ATOM 0 HZ2 LYS A 74 1.645 5.961 -13.750 1.00 54.22 H new ATOM 0 HZ3 LYS A 74 1.937 4.571 -12.819 1.00 54.22 H new ATOM 1177 N HIS A 75 -0.010 8.868 -7.612 1.00 20.25 N ATOM 1178 CA HIS A 75 -0.634 10.196 -7.541 1.00 64.45 C ATOM 1179 C HIS A 75 -0.540 10.778 -6.120 1.00 1.42 C ATOM 1180 O HIS A 75 -0.306 11.971 -5.945 1.00 15.52 O ATOM 1181 CB HIS A 75 -2.104 10.123 -7.983 1.00 33.21 C ATOM 1182 CG HIS A 75 -2.867 11.398 -7.757 1.00 32.24 C ATOM 1183 ND1 HIS A 75 -3.869 11.513 -6.818 1.00 75.53 N ATOM 1184 CD2 HIS A 75 -2.771 12.618 -8.346 1.00 20.44 C ATOM 1185 CE1 HIS A 75 -4.354 12.735 -6.836 1.00 71.33 C ATOM 1186 NE2 HIS A 75 -3.708 13.426 -7.750 1.00 51.42 N ATOM 0 H HIS A 75 -0.666 8.105 -7.777 1.00 20.25 H new ATOM 0 HA HIS A 75 -0.092 10.856 -8.218 1.00 64.45 H new ATOM 0 HB2 HIS A 75 -2.143 9.869 -9.042 1.00 33.21 H new ATOM 0 HB3 HIS A 75 -2.597 9.314 -7.443 1.00 33.21 H new ATOM 0 HD2 HIS A 75 -2.088 12.899 -9.134 1.00 20.44 H new ATOM 0 HE1 HIS A 75 -5.148 13.108 -6.207 1.00 71.33 H new ATOM 0 HE2 HIS A 75 -3.876 14.406 -7.979 1.00 51.42 H new ATOM 1195 N PHE A 76 -0.723 9.921 -5.117 1.00 74.22 N ATOM 1196 CA PHE A 76 -0.657 10.330 -3.709 1.00 12.35 C ATOM 1197 C PHE A 76 0.692 10.998 -3.384 1.00 4.04 C ATOM 1198 O PHE A 76 0.739 12.079 -2.797 1.00 24.33 O ATOM 1199 CB PHE A 76 -0.875 9.102 -2.810 1.00 73.14 C ATOM 1200 CG PHE A 76 -0.905 9.406 -1.332 1.00 33.31 C ATOM 1201 CD1 PHE A 76 -2.061 9.891 -0.736 1.00 60.15 C ATOM 1202 CD2 PHE A 76 0.216 9.198 -0.539 1.00 31.25 C ATOM 1203 CE1 PHE A 76 -2.097 10.163 0.617 1.00 44.21 C ATOM 1204 CE2 PHE A 76 0.184 9.468 0.816 1.00 53.35 C ATOM 1205 CZ PHE A 76 -0.974 9.951 1.394 1.00 50.40 C ATOM 0 H PHE A 76 -0.920 8.929 -5.252 1.00 74.22 H new ATOM 0 HA PHE A 76 -1.442 11.063 -3.523 1.00 12.35 H new ATOM 0 HB2 PHE A 76 -1.815 8.625 -3.089 1.00 73.14 H new ATOM 0 HB3 PHE A 76 -0.082 8.380 -3.004 1.00 73.14 H new ATOM 0 HD1 PHE A 76 -2.942 10.057 -1.338 1.00 60.15 H new ATOM 0 HD2 PHE A 76 1.124 8.821 -0.987 1.00 31.25 H new ATOM 0 HE1 PHE A 76 -3.002 10.541 1.068 1.00 44.21 H new ATOM 0 HE2 PHE A 76 1.063 9.302 1.422 1.00 53.35 H new ATOM 0 HZ PHE A 76 -1.002 10.163 2.453 1.00 50.40 H new ATOM 1215 N LYS A 77 1.784 10.350 -3.790 1.00 32.13 N ATOM 1216 CA LYS A 77 3.138 10.886 -3.576 1.00 50.34 C ATOM 1217 C LYS A 77 3.490 11.994 -4.585 1.00 22.31 C ATOM 1218 O LYS A 77 4.427 12.766 -4.362 1.00 35.44 O ATOM 1219 CB LYS A 77 4.181 9.765 -3.698 1.00 24.13 C ATOM 1220 CG LYS A 77 4.081 8.695 -2.618 1.00 22.01 C ATOM 1221 CD LYS A 77 5.151 7.617 -2.788 1.00 3.20 C ATOM 1222 CE LYS A 77 6.562 8.198 -2.745 1.00 41.43 C ATOM 1223 NZ LYS A 77 7.609 7.140 -2.796 1.00 31.40 N ATOM 0 H LYS A 77 1.762 9.451 -4.271 1.00 32.13 H new ATOM 0 HA LYS A 77 3.152 11.312 -2.573 1.00 50.34 H new ATOM 0 HB2 LYS A 77 4.075 9.291 -4.674 1.00 24.13 H new ATOM 0 HB3 LYS A 77 5.177 10.206 -3.665 1.00 24.13 H new ATOM 0 HG2 LYS A 77 4.184 9.158 -1.637 1.00 22.01 H new ATOM 0 HG3 LYS A 77 3.093 8.235 -2.652 1.00 22.01 H new ATOM 0 HD2 LYS A 77 5.042 6.871 -2.001 1.00 3.20 H new ATOM 0 HD3 LYS A 77 5.000 7.103 -3.737 1.00 3.20 H new ATOM 0 HE2 LYS A 77 6.697 8.881 -3.584 1.00 41.43 H new ATOM 0 HE3 LYS A 77 6.684 8.784 -1.834 1.00 41.43 H new ATOM 0 HZ1 LYS A 77 8.515 7.561 -3.085 1.00 31.40 H new ATOM 0 HZ2 LYS A 77 7.713 6.709 -1.855 1.00 31.40 H new ATOM 0 HZ3 LYS A 77 7.332 6.410 -3.483 1.00 31.40 H new ATOM 1237 N LYS A 78 2.743 12.059 -5.692 1.00 72.14 N ATOM 1238 CA LYS A 78 3.097 12.923 -6.831 1.00 23.14 C ATOM 1239 C LYS A 78 4.515 12.615 -7.327 1.00 51.13 C ATOM 1240 O LYS A 78 5.206 13.481 -7.860 1.00 74.45 O ATOM 1241 CB LYS A 78 2.987 14.412 -6.468 1.00 15.31 C ATOM 1242 CG LYS A 78 1.568 14.875 -6.153 1.00 10.33 C ATOM 1243 CD LYS A 78 1.458 16.402 -6.066 1.00 3.12 C ATOM 1244 CE LYS A 78 1.625 17.085 -7.428 1.00 62.22 C ATOM 1245 NZ LYS A 78 3.032 17.070 -7.916 1.00 60.30 N ATOM 0 H LYS A 78 1.886 11.523 -5.827 1.00 72.14 H new ATOM 0 HA LYS A 78 2.385 12.712 -7.629 1.00 23.14 H new ATOM 0 HB2 LYS A 78 3.623 14.612 -5.605 1.00 15.31 H new ATOM 0 HB3 LYS A 78 3.376 15.006 -7.295 1.00 15.31 H new ATOM 0 HG2 LYS A 78 0.889 14.508 -6.923 1.00 10.33 H new ATOM 0 HG3 LYS A 78 1.246 14.436 -5.209 1.00 10.33 H new ATOM 0 HD2 LYS A 78 0.488 16.669 -5.647 1.00 3.12 H new ATOM 0 HD3 LYS A 78 2.217 16.778 -5.380 1.00 3.12 H new ATOM 0 HE2 LYS A 78 0.987 16.588 -8.159 1.00 62.22 H new ATOM 0 HE3 LYS A 78 1.282 18.117 -7.356 1.00 62.22 H new ATOM 0 HZ1 LYS A 78 3.249 17.977 -8.376 1.00 60.30 H new ATOM 0 HZ2 LYS A 78 3.677 16.926 -7.113 1.00 60.30 H new ATOM 0 HZ3 LYS A 78 3.154 16.296 -8.600 1.00 60.30 H new