USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=23 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 65 LYS NZ :NH3+ 169:sc= 0.53 (180deg=-0.0491) USER MOD Set 1.2: A 66 CYS SG : rot -126:sc= 0.685 USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 18 SER OG : rot -179:sc= 0.478 USER MOD Set 3.2: A 20 THR OG1 : rot -43:sc= -0.301 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 156:sc= -3.34! (180deg=-3.87!) USER MOD Single : A 16 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.027) USER MOD Single : A 19 HIS : no HE2:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 21 THR OG1 : rot 110:sc= 0.081 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 163:sc= 1.42 (180deg=0.586) USER MOD Single : A 33 MET CE :methyl 160:sc= -0.16 (180deg=-0.807) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -78:sc= 0.453 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -30:sc= 1.47 USER MOD Single : A 46 GLN : amide:sc= -0.951 K(o=-0.95,f=-2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -80:sc= 0.667 USER MOD Single : A 51 SER OG : rot 94:sc= -0.183 USER MOD Single : A 54 ASN : amide:sc= -0.249 K(o=-0.25,f=-0.81) USER MOD Single : A 55 SER OG : rot -10:sc= 0.536 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.0477 USER MOD Single : A 58 TYR OH : rot 120:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.0781 K(o=0.078,f=-2.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) 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) USER MOD Single : A 77 LYS NZ :NH3+ 148:sc= 0.554 (180deg=0.0286) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 11.790 1.014 0.622 1.00 44.33 N ATOM 147 CA HIS A 10 12.353 1.745 -0.521 1.00 12.54 C ATOM 148 C HIS A 10 11.263 2.054 -1.564 1.00 1.42 C ATOM 149 O HIS A 10 11.544 2.613 -2.622 1.00 20.31 O ATOM 150 CB HIS A 10 13.474 0.921 -1.171 1.00 1.44 C ATOM 151 CG HIS A 10 14.499 0.413 -0.199 1.00 34.40 C ATOM 152 ND1 HIS A 10 14.690 -0.928 0.053 1.00 1.12 N ATOM 153 CD2 HIS A 10 15.396 1.067 0.581 1.00 23.35 C ATOM 154 CE1 HIS A 10 15.652 -1.076 0.940 1.00 70.34 C ATOM 155 NE2 HIS A 10 16.097 0.114 1.279 1.00 21.14 N ATOM 0 HA HIS A 10 12.761 2.688 -0.156 1.00 12.54 H new ATOM 0 HB2 HIS A 10 13.032 0.073 -1.693 1.00 1.44 H new ATOM 0 HB3 HIS A 10 13.973 1.533 -1.922 1.00 1.44 H new ATOM 0 HD2 HIS A 10 15.533 2.137 0.642 1.00 23.35 H new ATOM 0 HE1 HIS A 10 16.015 -2.018 1.325 1.00 70.34 H new ATOM 0 HE2 HIS A 10 16.842 0.299 1.951 1.00 21.14 H new ATOM 164 N MET A 11 10.018 1.700 -1.241 1.00 13.40 N ATOM 165 CA MET A 11 8.899 1.794 -2.194 1.00 34.20 C ATOM 166 C MET A 11 8.154 3.139 -2.106 1.00 3.12 C ATOM 167 O MET A 11 7.069 3.289 -2.665 1.00 22.55 O ATOM 168 CB MET A 11 7.925 0.638 -1.946 1.00 54.14 C ATOM 169 CG MET A 11 8.556 -0.753 -2.020 1.00 0.52 C ATOM 170 SD MET A 11 9.024 -1.260 -3.693 1.00 24.33 S ATOM 171 CE MET A 11 10.570 -0.384 -3.948 1.00 54.24 C ATOM 0 H MET A 11 9.753 1.343 -0.323 1.00 13.40 H new ATOM 0 HA MET A 11 9.316 1.730 -3.199 1.00 34.20 H new ATOM 0 HB2 MET A 11 7.473 0.766 -0.962 1.00 54.14 H new ATOM 0 HB3 MET A 11 7.119 0.696 -2.677 1.00 54.14 H new ATOM 0 HG2 MET A 11 9.441 -0.774 -1.384 1.00 0.52 H new ATOM 0 HG3 MET A 11 7.854 -1.481 -1.613 1.00 0.52 H new ATOM 0 HE1 MET A 11 11.162 -0.903 -4.702 1.00 54.24 H new ATOM 0 HE2 MET A 11 10.362 0.631 -4.286 1.00 54.24 H new ATOM 0 HE3 MET A 11 11.126 -0.347 -3.011 1.00 54.24 H new ATOM 181 N LEU A 12 8.735 4.111 -1.405 1.00 43.44 N ATOM 182 CA LEU A 12 8.129 5.448 -1.286 1.00 61.41 C ATOM 183 C LEU A 12 8.029 6.153 -2.664 1.00 32.23 C ATOM 184 O LEU A 12 7.007 6.776 -2.974 1.00 34.33 O ATOM 185 CB LEU A 12 8.897 6.325 -0.275 1.00 72.30 C ATOM 186 CG LEU A 12 8.825 5.865 1.198 1.00 3.14 C ATOM 187 CD1 LEU A 12 9.571 4.551 1.409 1.00 53.13 C ATOM 188 CD2 LEU A 12 9.365 6.946 2.131 1.00 24.01 C ATOM 0 H LEU A 12 9.621 4.005 -0.911 1.00 43.44 H new ATOM 0 HA LEU A 12 7.116 5.310 -0.909 1.00 61.41 H new ATOM 0 HB2 LEU A 12 9.944 6.361 -0.575 1.00 72.30 H new ATOM 0 HB3 LEU A 12 8.512 7.343 -0.338 1.00 72.30 H new ATOM 0 HG LEU A 12 7.776 5.694 1.439 1.00 3.14 H new ATOM 0 HD11 LEU A 12 9.500 4.256 2.456 1.00 53.13 H new ATOM 0 HD12 LEU A 12 9.128 3.776 0.783 1.00 53.13 H new ATOM 0 HD13 LEU A 12 10.619 4.680 1.139 1.00 53.13 H new ATOM 0 HD21 LEU A 12 9.304 6.600 3.163 1.00 24.01 H new ATOM 0 HD22 LEU A 12 10.404 7.157 1.880 1.00 24.01 H new ATOM 0 HD23 LEU A 12 8.772 7.854 2.018 1.00 24.01 H new ATOM 200 N PRO A 13 9.095 6.104 -3.503 1.00 43.22 N ATOM 201 CA PRO A 13 9.005 6.487 -4.919 1.00 44.54 C ATOM 202 C PRO A 13 8.405 5.350 -5.770 1.00 11.43 C ATOM 203 O PRO A 13 8.494 4.180 -5.395 1.00 10.54 O ATOM 204 CB PRO A 13 10.475 6.758 -5.322 1.00 63.11 C ATOM 205 CG PRO A 13 11.288 6.584 -4.072 1.00 73.51 C ATOM 206 CD PRO A 13 10.470 5.718 -3.155 1.00 24.35 C ATOM 0 HA PRO A 13 8.355 7.348 -5.077 1.00 44.54 H new ATOM 0 HB2 PRO A 13 10.800 6.065 -6.098 1.00 63.11 H new ATOM 0 HB3 PRO A 13 10.590 7.764 -5.725 1.00 63.11 H new ATOM 0 HG2 PRO A 13 12.248 6.118 -4.294 1.00 73.51 H new ATOM 0 HG3 PRO A 13 11.501 7.548 -3.609 1.00 73.51 H new ATOM 0 HD2 PRO A 13 10.651 4.657 -3.329 1.00 24.35 H new ATOM 0 HD3 PRO A 13 10.694 5.912 -2.106 1.00 24.35 H new ATOM 214 N PRO A 14 7.781 5.665 -6.926 1.00 72.42 N ATOM 215 CA PRO A 14 7.180 4.639 -7.796 1.00 64.30 C ATOM 216 C PRO A 14 8.210 3.620 -8.316 1.00 2.22 C ATOM 217 O PRO A 14 8.759 3.774 -9.411 1.00 31.34 O ATOM 218 CB PRO A 14 6.574 5.449 -8.956 1.00 53.13 C ATOM 219 CG PRO A 14 6.460 6.846 -8.434 1.00 23.13 C ATOM 220 CD PRO A 14 7.602 7.023 -7.470 1.00 63.30 C ATOM 0 HA PRO A 14 6.447 4.037 -7.259 1.00 64.30 H new ATOM 0 HB2 PRO A 14 7.210 5.409 -9.840 1.00 53.13 H new ATOM 0 HB3 PRO A 14 5.600 5.055 -9.246 1.00 53.13 H new ATOM 0 HG2 PRO A 14 6.518 7.572 -9.245 1.00 23.13 H new ATOM 0 HG3 PRO A 14 5.502 7.000 -7.937 1.00 23.13 H new ATOM 0 HD2 PRO A 14 8.502 7.381 -7.970 1.00 63.30 H new ATOM 0 HD3 PRO A 14 7.364 7.744 -6.688 1.00 63.30 H new ATOM 228 N GLU A 15 8.484 2.582 -7.523 1.00 61.25 N ATOM 229 CA GLU A 15 9.473 1.566 -7.901 1.00 44.40 C ATOM 230 C GLU A 15 8.908 0.135 -7.806 1.00 1.10 C ATOM 231 O GLU A 15 9.037 -0.531 -6.782 1.00 22.01 O ATOM 232 CB GLU A 15 10.738 1.710 -7.037 1.00 34.35 C ATOM 233 CG GLU A 15 11.876 0.767 -7.429 1.00 43.54 C ATOM 234 CD GLU A 15 13.168 1.054 -6.674 1.00 3.34 C ATOM 235 OE1 GLU A 15 13.850 2.044 -7.015 1.00 41.43 O ATOM 236 OE2 GLU A 15 13.513 0.295 -5.739 1.00 61.32 O ATOM 0 H GLU A 15 8.039 2.422 -6.620 1.00 61.25 H new ATOM 0 HA GLU A 15 9.732 1.735 -8.946 1.00 44.40 H new ATOM 0 HB2 GLU A 15 11.094 2.738 -7.103 1.00 34.35 H new ATOM 0 HB3 GLU A 15 10.475 1.530 -5.995 1.00 34.35 H new ATOM 0 HG2 GLU A 15 11.571 -0.262 -7.239 1.00 43.54 H new ATOM 0 HG3 GLU A 15 12.060 0.852 -8.500 1.00 43.54 H new ATOM 243 N GLN A 16 8.259 -0.306 -8.888 1.00 31.10 N ATOM 244 CA GLN A 16 7.791 -1.699 -9.038 1.00 34.20 C ATOM 245 C GLN A 16 6.936 -2.208 -7.855 1.00 34.32 C ATOM 246 O GLN A 16 7.451 -2.803 -6.906 1.00 72.24 O ATOM 247 CB GLN A 16 8.995 -2.632 -9.262 1.00 25.22 C ATOM 248 CG GLN A 16 9.654 -2.476 -10.632 1.00 61.23 C ATOM 249 CD GLN A 16 8.811 -3.045 -11.768 1.00 33.14 C ATOM 250 OE1 GLN A 16 8.821 -2.539 -12.888 1.00 25.14 O ATOM 251 NE2 GLN A 16 8.096 -4.123 -11.500 1.00 20.31 N ATOM 0 H GLN A 16 8.040 0.288 -9.688 1.00 31.10 H new ATOM 0 HA GLN A 16 7.133 -1.708 -9.907 1.00 34.20 H new ATOM 0 HB2 GLN A 16 9.739 -2.441 -8.488 1.00 25.22 H new ATOM 0 HB3 GLN A 16 8.669 -3.665 -9.142 1.00 25.22 H new ATOM 0 HG2 GLN A 16 9.841 -1.419 -10.820 1.00 61.23 H new ATOM 0 HG3 GLN A 16 10.623 -2.975 -10.622 1.00 61.23 H new ATOM 0 HE21 GLN A 16 8.107 -4.522 -10.561 1.00 20.31 H new ATOM 0 HE22 GLN A 16 7.533 -4.557 -12.232 1.00 20.31 H new ATOM 260 N TRP A 17 5.623 -1.981 -7.924 1.00 43.55 N ATOM 261 CA TRP A 17 4.688 -2.523 -6.930 1.00 24.04 C ATOM 262 C TRP A 17 4.311 -3.977 -7.272 1.00 23.33 C ATOM 263 O TRP A 17 3.621 -4.238 -8.257 1.00 31.43 O ATOM 264 CB TRP A 17 3.430 -1.648 -6.843 1.00 52.52 C ATOM 265 CG TRP A 17 3.695 -0.286 -6.271 1.00 61.11 C ATOM 266 CD1 TRP A 17 3.933 0.868 -6.964 1.00 32.44 C ATOM 267 CD2 TRP A 17 3.763 0.058 -4.884 1.00 33.50 C ATOM 268 NE1 TRP A 17 4.132 1.909 -6.090 1.00 31.40 N ATOM 269 CE2 TRP A 17 4.035 1.438 -4.808 1.00 51.22 C ATOM 270 CE3 TRP A 17 3.616 -0.665 -3.698 1.00 74.21 C ATOM 271 CZ2 TRP A 17 4.163 2.105 -3.594 1.00 4.31 C ATOM 272 CZ3 TRP A 17 3.743 -0.002 -2.491 1.00 5.24 C ATOM 273 CH2 TRP A 17 4.014 1.372 -2.447 1.00 43.12 C ATOM 0 H TRP A 17 5.181 -1.426 -8.657 1.00 43.55 H new ATOM 0 HA TRP A 17 5.181 -2.518 -5.958 1.00 24.04 H new ATOM 0 HB2 TRP A 17 3.001 -1.539 -7.839 1.00 52.52 H new ATOM 0 HB3 TRP A 17 2.685 -2.154 -6.229 1.00 52.52 H new ATOM 0 HD1 TRP A 17 3.961 0.949 -8.041 1.00 32.44 H new ATOM 0 HE1 TRP A 17 4.321 2.876 -6.353 1.00 31.40 H new ATOM 0 HE3 TRP A 17 3.407 -1.724 -3.723 1.00 74.21 H new ATOM 0 HZ2 TRP A 17 4.373 3.164 -3.557 1.00 4.31 H new ATOM 0 HZ3 TRP A 17 3.632 -0.552 -1.568 1.00 5.24 H new ATOM 0 HH2 TRP A 17 4.107 1.863 -1.489 1.00 43.12 H new ATOM 284 N SER A 18 4.769 -4.919 -6.451 1.00 50.22 N ATOM 285 CA SER A 18 4.605 -6.351 -6.743 1.00 12.32 C ATOM 286 C SER A 18 3.664 -7.047 -5.747 1.00 65.01 C ATOM 287 O SER A 18 2.932 -6.404 -4.992 1.00 40.24 O ATOM 288 CB SER A 18 5.975 -7.041 -6.708 1.00 41.35 C ATOM 289 OG SER A 18 6.481 -7.091 -5.383 1.00 23.11 O ATOM 0 H SER A 18 5.257 -4.722 -5.577 1.00 50.22 H new ATOM 0 HA SER A 18 4.158 -6.432 -7.734 1.00 12.32 H new ATOM 0 HB2 SER A 18 5.888 -8.052 -7.107 1.00 41.35 H new ATOM 0 HB3 SER A 18 6.674 -6.504 -7.349 1.00 41.35 H new ATOM 0 HG SER A 18 7.361 -7.522 -5.385 1.00 23.11 H new ATOM 295 N HIS A 19 3.686 -8.379 -5.762 1.00 72.42 N ATOM 296 CA HIS A 19 2.903 -9.197 -4.831 1.00 62.52 C ATOM 297 C HIS A 19 3.313 -8.934 -3.368 1.00 42.04 C ATOM 298 O HIS A 19 2.492 -9.041 -2.454 1.00 70.43 O ATOM 299 CB HIS A 19 3.101 -10.681 -5.183 1.00 63.33 C ATOM 300 CG HIS A 19 2.334 -11.642 -4.321 1.00 52.22 C ATOM 301 ND1 HIS A 19 2.881 -12.279 -3.230 1.00 12.02 N ATOM 302 CD2 HIS A 19 1.061 -12.094 -4.411 1.00 55.14 C ATOM 303 CE1 HIS A 19 1.984 -13.077 -2.690 1.00 72.24 C ATOM 304 NE2 HIS A 19 0.870 -12.986 -3.384 1.00 62.34 N ATOM 0 H HIS A 19 4.246 -8.923 -6.418 1.00 72.42 H new ATOM 0 HA HIS A 19 1.851 -8.929 -4.927 1.00 62.52 H new ATOM 0 HB2 HIS A 19 2.810 -10.835 -6.222 1.00 63.33 H new ATOM 0 HB3 HIS A 19 4.162 -10.918 -5.111 1.00 63.33 H new ATOM 0 HD1 HIS A 19 3.835 -12.152 -2.892 1.00 12.02 H new ATOM 0 HD2 HIS A 19 0.331 -11.806 -5.153 1.00 55.14 H new ATOM 0 HE1 HIS A 19 2.137 -13.702 -1.822 1.00 72.24 H new ATOM 313 N THR A 20 4.580 -8.577 -3.161 1.00 33.12 N ATOM 314 CA THR A 20 5.127 -8.360 -1.810 1.00 50.31 C ATOM 315 C THR A 20 4.928 -6.917 -1.319 1.00 65.12 C ATOM 316 O THR A 20 4.251 -6.680 -0.320 1.00 35.05 O ATOM 317 CB THR A 20 6.640 -8.677 -1.763 1.00 51.23 C ATOM 318 OG1 THR A 20 7.341 -7.847 -2.701 1.00 42.32 O ATOM 319 CG2 THR A 20 6.912 -10.144 -2.079 1.00 41.01 C ATOM 0 H THR A 20 5.255 -8.430 -3.912 1.00 33.12 H new ATOM 0 HA THR A 20 4.576 -9.036 -1.156 1.00 50.31 H new ATOM 0 HB THR A 20 6.993 -8.474 -0.752 1.00 51.23 H new ATOM 0 HG1 THR A 20 6.837 -7.805 -3.541 1.00 42.32 H new ATOM 0 HG21 THR A 20 7.985 -10.332 -2.037 1.00 41.01 H new ATOM 0 HG22 THR A 20 6.404 -10.774 -1.348 1.00 41.01 H new ATOM 0 HG23 THR A 20 6.541 -10.376 -3.078 1.00 41.01 H new ATOM 327 N THR A 21 5.524 -5.965 -2.033 1.00 51.33 N ATOM 328 CA THR A 21 5.543 -4.548 -1.624 1.00 61.24 C ATOM 329 C THR A 21 4.159 -4.013 -1.217 1.00 0.15 C ATOM 330 O THR A 21 4.010 -3.380 -0.169 1.00 70.11 O ATOM 331 CB THR A 21 6.099 -3.654 -2.755 1.00 65.43 C ATOM 332 OG1 THR A 21 5.202 -3.658 -3.878 1.00 2.31 O ATOM 333 CG2 THR A 21 7.474 -4.135 -3.207 1.00 54.41 C ATOM 0 H THR A 21 6.009 -6.146 -2.912 1.00 51.33 H new ATOM 0 HA THR A 21 6.192 -4.508 -0.749 1.00 61.24 H new ATOM 0 HB THR A 21 6.192 -2.641 -2.364 1.00 65.43 H new ATOM 0 HG1 THR A 21 4.768 -2.782 -3.954 1.00 2.31 H new ATOM 0 HG21 THR A 21 7.842 -3.488 -4.004 1.00 54.41 H new ATOM 0 HG22 THR A 21 8.166 -4.103 -2.365 1.00 54.41 H new ATOM 0 HG23 THR A 21 7.398 -5.158 -3.576 1.00 54.41 H new ATOM 341 N VAL A 22 3.151 -4.270 -2.050 1.00 53.31 N ATOM 342 CA VAL A 22 1.776 -3.820 -1.780 1.00 63.41 C ATOM 343 C VAL A 22 1.247 -4.344 -0.429 1.00 51.33 C ATOM 344 O VAL A 22 0.431 -3.689 0.225 1.00 62.24 O ATOM 345 CB VAL A 22 0.814 -4.251 -2.918 1.00 10.33 C ATOM 346 CG1 VAL A 22 -0.624 -3.810 -2.632 1.00 2.35 C ATOM 347 CG2 VAL A 22 1.293 -3.693 -4.259 1.00 24.10 C ATOM 0 H VAL A 22 3.256 -4.789 -2.922 1.00 53.31 H new ATOM 0 HA VAL A 22 1.810 -2.732 -1.731 1.00 63.41 H new ATOM 0 HB VAL A 22 0.821 -5.340 -2.969 1.00 10.33 H new ATOM 0 HG11 VAL A 22 -1.271 -4.128 -3.449 1.00 2.35 H new ATOM 0 HG12 VAL A 22 -0.965 -4.263 -1.701 1.00 2.35 H new ATOM 0 HG13 VAL A 22 -0.660 -2.724 -2.542 1.00 2.35 H new ATOM 0 HG21 VAL A 22 0.608 -4.004 -5.048 1.00 24.10 H new ATOM 0 HG22 VAL A 22 1.321 -2.604 -4.211 1.00 24.10 H new ATOM 0 HG23 VAL A 22 2.292 -4.073 -4.475 1.00 24.10 H new ATOM 357 N ARG A 23 1.721 -5.519 -0.010 1.00 64.11 N ATOM 358 CA ARG A 23 1.310 -6.111 1.270 1.00 33.25 C ATOM 359 C ARG A 23 1.802 -5.263 2.451 1.00 54.15 C ATOM 360 O ARG A 23 1.015 -4.833 3.297 1.00 54.44 O ATOM 361 CB ARG A 23 1.861 -7.540 1.390 1.00 62.43 C ATOM 362 CG ARG A 23 1.449 -8.266 2.670 1.00 63.10 C ATOM 363 CD ARG A 23 2.092 -9.648 2.766 1.00 1.43 C ATOM 364 NE ARG A 23 1.627 -10.397 3.931 1.00 11.34 N ATOM 365 CZ ARG A 23 1.907 -11.653 4.155 1.00 22.33 C ATOM 366 NH1 ARG A 23 2.671 -12.312 3.340 1.00 10.31 N ATOM 367 NH2 ARG A 23 1.417 -12.249 5.195 1.00 41.52 N ATOM 0 H ARG A 23 2.390 -6.081 -0.536 1.00 64.11 H new ATOM 0 HA ARG A 23 0.221 -6.140 1.297 1.00 33.25 H new ATOM 0 HB2 ARG A 23 1.523 -8.121 0.532 1.00 62.43 H new ATOM 0 HB3 ARG A 23 2.949 -7.503 1.341 1.00 62.43 H new ATOM 0 HG2 ARG A 23 1.737 -7.670 3.536 1.00 63.10 H new ATOM 0 HG3 ARG A 23 0.364 -8.366 2.699 1.00 63.10 H new ATOM 0 HD2 ARG A 23 1.869 -10.213 1.861 1.00 1.43 H new ATOM 0 HD3 ARG A 23 3.175 -9.539 2.816 1.00 1.43 H new ATOM 0 HE ARG A 23 1.047 -9.908 4.613 1.00 11.34 H new ATOM 0 HH11 ARG A 23 3.058 -11.850 2.517 1.00 10.31 H new ATOM 0 HH12 ARG A 23 2.885 -13.293 3.522 1.00 10.31 H new ATOM 0 HH21 ARG A 23 0.813 -11.738 5.838 1.00 41.52 H new ATOM 0 HH22 ARG A 23 1.635 -13.230 5.371 1.00 41.52 H new ATOM 381 N ASN A 24 3.111 -5.014 2.495 1.00 33.44 N ATOM 382 CA ASN A 24 3.709 -4.207 3.563 1.00 63.11 C ATOM 383 C ASN A 24 3.156 -2.773 3.563 1.00 74.21 C ATOM 384 O ASN A 24 3.043 -2.142 4.616 1.00 70.10 O ATOM 385 CB ASN A 24 5.232 -4.178 3.422 1.00 74.13 C ATOM 386 CG ASN A 24 5.850 -5.561 3.514 1.00 74.35 C ATOM 387 OD1 ASN A 24 6.038 -6.242 2.512 1.00 44.31 O ATOM 388 ND2 ASN A 24 6.169 -5.993 4.719 1.00 64.25 N ATOM 0 H ASN A 24 3.778 -5.358 1.805 1.00 33.44 H new ATOM 0 HA ASN A 24 3.445 -4.672 4.513 1.00 63.11 H new ATOM 0 HB2 ASN A 24 5.497 -3.728 2.465 1.00 74.13 H new ATOM 0 HB3 ASN A 24 5.654 -3.542 4.201 1.00 74.13 H new ATOM 0 HD21 ASN A 24 6.584 -6.917 4.836 1.00 64.25 H new ATOM 0 HD22 ASN A 24 6.000 -5.403 5.534 1.00 64.25 H new ATOM 395 N ALA A 25 2.822 -2.269 2.375 1.00 25.45 N ATOM 396 CA ALA A 25 2.232 -0.932 2.236 1.00 41.22 C ATOM 397 C ALA A 25 0.886 -0.834 2.970 1.00 2.43 C ATOM 398 O ALA A 25 0.729 -0.031 3.890 1.00 71.23 O ATOM 399 CB ALA A 25 2.065 -0.579 0.762 1.00 14.32 C ATOM 0 H ALA A 25 2.949 -2.765 1.493 1.00 25.45 H new ATOM 0 HA ALA A 25 2.912 -0.215 2.695 1.00 41.22 H new ATOM 0 HB1 ALA A 25 1.626 0.415 0.673 1.00 14.32 H new ATOM 0 HB2 ALA A 25 3.039 -0.591 0.272 1.00 14.32 H new ATOM 0 HB3 ALA A 25 1.410 -1.308 0.285 1.00 14.32 H new ATOM 405 N LEU A 26 -0.079 -1.667 2.568 1.00 10.33 N ATOM 406 CA LEU A 26 -1.398 -1.698 3.219 1.00 21.03 C ATOM 407 C LEU A 26 -1.275 -1.972 4.726 1.00 75.45 C ATOM 408 O LEU A 26 -1.940 -1.332 5.541 1.00 72.42 O ATOM 409 CB LEU A 26 -2.292 -2.765 2.568 1.00 73.45 C ATOM 410 CG LEU A 26 -2.712 -2.480 1.116 1.00 53.53 C ATOM 411 CD1 LEU A 26 -3.479 -3.666 0.532 1.00 25.32 C ATOM 412 CD2 LEU A 26 -3.555 -1.206 1.040 1.00 55.10 C ATOM 0 H LEU A 26 0.025 -2.328 1.798 1.00 10.33 H new ATOM 0 HA LEU A 26 -1.853 -0.716 3.087 1.00 21.03 H new ATOM 0 HB2 LEU A 26 -1.767 -3.720 2.595 1.00 73.45 H new ATOM 0 HB3 LEU A 26 -3.192 -2.878 3.173 1.00 73.45 H new ATOM 0 HG LEU A 26 -1.809 -2.331 0.523 1.00 53.53 H new ATOM 0 HD11 LEU A 26 -3.766 -3.443 -0.495 1.00 25.32 H new ATOM 0 HD12 LEU A 26 -2.845 -4.552 0.547 1.00 25.32 H new ATOM 0 HD13 LEU A 26 -4.373 -3.850 1.127 1.00 25.32 H new ATOM 0 HD21 LEU A 26 -3.842 -1.021 0.005 1.00 55.10 H new ATOM 0 HD22 LEU A 26 -4.451 -1.325 1.650 1.00 55.10 H new ATOM 0 HD23 LEU A 26 -2.973 -0.362 1.411 1.00 55.10 H new ATOM 424 N LYS A 27 -0.406 -2.916 5.079 1.00 40.00 N ATOM 425 CA LYS A 27 -0.197 -3.313 6.476 1.00 44.45 C ATOM 426 C LYS A 27 0.326 -2.134 7.322 1.00 1.43 C ATOM 427 O LYS A 27 -0.101 -1.937 8.463 1.00 2.41 O ATOM 428 CB LYS A 27 0.783 -4.504 6.521 1.00 62.02 C ATOM 429 CG LYS A 27 0.728 -5.354 7.795 1.00 2.41 C ATOM 430 CD LYS A 27 1.423 -4.693 8.982 1.00 61.45 C ATOM 431 CE LYS A 27 1.404 -5.592 10.214 1.00 62.21 C ATOM 432 NZ LYS A 27 2.110 -4.975 11.367 1.00 2.54 N ATOM 0 H LYS A 27 0.172 -3.427 4.412 1.00 40.00 H new ATOM 0 HA LYS A 27 -1.152 -3.615 6.906 1.00 44.45 H new ATOM 0 HB2 LYS A 27 0.583 -5.149 5.665 1.00 62.02 H new ATOM 0 HB3 LYS A 27 1.797 -4.123 6.403 1.00 62.02 H new ATOM 0 HG2 LYS A 27 -0.314 -5.547 8.052 1.00 2.41 H new ATOM 0 HG3 LYS A 27 1.193 -6.321 7.601 1.00 2.41 H new ATOM 0 HD2 LYS A 27 2.454 -4.459 8.717 1.00 61.45 H new ATOM 0 HD3 LYS A 27 0.931 -3.748 9.213 1.00 61.45 H new ATOM 0 HE2 LYS A 27 0.371 -5.803 10.492 1.00 62.21 H new ATOM 0 HE3 LYS A 27 1.871 -6.547 9.973 1.00 62.21 H new ATOM 0 HZ1 LYS A 27 2.073 -5.620 12.182 1.00 2.54 H new ATOM 0 HZ2 LYS A 27 3.102 -4.797 11.112 1.00 2.54 H new ATOM 0 HZ3 LYS A 27 1.650 -4.076 11.615 1.00 2.54 H new ATOM 446 N ASP A 28 1.244 -1.348 6.756 1.00 4.40 N ATOM 447 CA ASP A 28 1.828 -0.208 7.471 1.00 3.35 C ATOM 448 C ASP A 28 0.772 0.886 7.729 1.00 31.32 C ATOM 449 O ASP A 28 0.552 1.291 8.871 1.00 43.52 O ATOM 450 CB ASP A 28 3.010 0.372 6.681 1.00 0.34 C ATOM 451 CG ASP A 28 3.889 1.284 7.528 1.00 13.54 C ATOM 452 OD1 ASP A 28 3.419 2.364 7.941 1.00 30.30 O ATOM 453 OD2 ASP A 28 5.060 0.925 7.786 1.00 34.41 O ATOM 0 H ASP A 28 1.599 -1.478 5.809 1.00 4.40 H new ATOM 0 HA ASP A 28 2.190 -0.566 8.435 1.00 3.35 H new ATOM 0 HB2 ASP A 28 3.614 -0.445 6.286 1.00 0.34 H new ATOM 0 HB3 ASP A 28 2.631 0.931 5.825 1.00 0.34 H new ATOM 458 N LEU A 29 0.116 1.352 6.663 1.00 2.12 N ATOM 459 CA LEU A 29 -0.909 2.406 6.779 1.00 12.31 C ATOM 460 C LEU A 29 -2.082 1.969 7.676 1.00 21.33 C ATOM 461 O LEU A 29 -2.613 2.767 8.455 1.00 41.03 O ATOM 462 CB LEU A 29 -1.434 2.814 5.385 1.00 32.44 C ATOM 463 CG LEU A 29 -0.507 3.731 4.553 1.00 51.23 C ATOM 464 CD1 LEU A 29 -0.250 5.048 5.282 1.00 44.43 C ATOM 465 CD2 LEU A 29 0.812 3.035 4.217 1.00 51.32 C ATOM 0 H LEU A 29 0.272 1.021 5.711 1.00 2.12 H new ATOM 0 HA LEU A 29 -0.432 3.267 7.247 1.00 12.31 H new ATOM 0 HB2 LEU A 29 -1.625 1.907 4.811 1.00 32.44 H new ATOM 0 HB3 LEU A 29 -2.392 3.319 5.513 1.00 32.44 H new ATOM 0 HG LEU A 29 -1.016 3.950 3.615 1.00 51.23 H new ATOM 0 HD11 LEU A 29 0.404 5.677 4.678 1.00 44.43 H new ATOM 0 HD12 LEU A 29 -1.196 5.563 5.448 1.00 44.43 H new ATOM 0 HD13 LEU A 29 0.226 4.846 6.242 1.00 44.43 H new ATOM 0 HD21 LEU A 29 1.439 3.707 3.632 1.00 51.32 H new ATOM 0 HD22 LEU A 29 1.328 2.768 5.139 1.00 51.32 H new ATOM 0 HD23 LEU A 29 0.610 2.133 3.640 1.00 51.32 H new ATOM 477 N LEU A 30 -2.470 0.695 7.574 1.00 33.54 N ATOM 478 CA LEU A 30 -3.579 0.142 8.371 1.00 53.11 C ATOM 479 C LEU A 30 -3.252 0.150 9.877 1.00 72.32 C ATOM 480 O LEU A 30 -4.136 0.017 10.724 1.00 64.35 O ATOM 481 CB LEU A 30 -3.881 -1.294 7.911 1.00 43.43 C ATOM 482 CG LEU A 30 -5.180 -1.911 8.462 1.00 44.54 C ATOM 483 CD1 LEU A 30 -6.388 -1.113 7.989 1.00 45.41 C ATOM 484 CD2 LEU A 30 -5.302 -3.377 8.045 1.00 63.11 C ATOM 0 H LEU A 30 -2.033 0.021 6.946 1.00 33.54 H new ATOM 0 HA LEU A 30 -4.454 0.772 8.215 1.00 53.11 H new ATOM 0 HB2 LEU A 30 -3.928 -1.305 6.822 1.00 43.43 H new ATOM 0 HB3 LEU A 30 -3.046 -1.932 8.200 1.00 43.43 H new ATOM 0 HG LEU A 30 -5.146 -1.871 9.551 1.00 44.54 H new ATOM 0 HD11 LEU A 30 -7.299 -1.561 8.387 1.00 45.41 H new ATOM 0 HD12 LEU A 30 -6.306 -0.085 8.342 1.00 45.41 H new ATOM 0 HD13 LEU A 30 -6.425 -1.121 6.900 1.00 45.41 H new ATOM 0 HD21 LEU A 30 -6.227 -3.793 8.445 1.00 63.11 H new ATOM 0 HD22 LEU A 30 -5.313 -3.446 6.957 1.00 63.11 H new ATOM 0 HD23 LEU A 30 -4.453 -3.938 8.435 1.00 63.11 H new ATOM 496 N LYS A 31 -1.970 0.296 10.196 1.00 21.22 N ATOM 497 CA LYS A 31 -1.501 0.333 11.586 1.00 40.24 C ATOM 498 C LYS A 31 -1.834 1.671 12.280 1.00 71.23 C ATOM 499 O LYS A 31 -2.188 1.698 13.463 1.00 42.30 O ATOM 500 CB LYS A 31 0.022 0.072 11.615 1.00 31.52 C ATOM 501 CG LYS A 31 0.801 0.938 12.606 1.00 61.20 C ATOM 502 CD LYS A 31 2.308 0.721 12.500 1.00 32.44 C ATOM 503 CE LYS A 31 2.836 0.958 11.088 1.00 4.30 C ATOM 504 NZ LYS A 31 2.456 2.294 10.548 1.00 33.11 N ATOM 0 H LYS A 31 -1.226 0.392 9.505 1.00 21.22 H new ATOM 0 HA LYS A 31 -2.023 -0.447 12.141 1.00 40.24 H new ATOM 0 HB2 LYS A 31 0.192 -0.977 11.858 1.00 31.52 H new ATOM 0 HB3 LYS A 31 0.424 0.237 10.615 1.00 31.52 H new ATOM 0 HG2 LYS A 31 0.573 1.988 12.425 1.00 61.20 H new ATOM 0 HG3 LYS A 31 0.473 0.711 13.620 1.00 61.20 H new ATOM 0 HD2 LYS A 31 2.818 1.391 13.192 1.00 32.44 H new ATOM 0 HD3 LYS A 31 2.548 -0.297 12.808 1.00 32.44 H new ATOM 0 HE2 LYS A 31 3.922 0.868 11.091 1.00 4.30 H new ATOM 0 HE3 LYS A 31 2.453 0.181 10.426 1.00 4.30 H new ATOM 0 HZ1 LYS A 31 3.060 2.523 9.733 1.00 33.11 H new ATOM 0 HZ2 LYS A 31 1.460 2.277 10.248 1.00 33.11 H new ATOM 0 HZ3 LYS A 31 2.582 3.016 11.286 1.00 33.11 H new ATOM 518 N ASP A 32 -1.730 2.774 11.542 1.00 34.13 N ATOM 519 CA ASP A 32 -1.796 4.119 12.141 1.00 33.33 C ATOM 520 C ASP A 32 -3.236 4.634 12.334 1.00 22.20 C ATOM 521 O ASP A 32 -3.472 5.540 13.135 1.00 14.22 O ATOM 522 CB ASP A 32 -1.001 5.101 11.279 1.00 62.44 C ATOM 523 CG ASP A 32 0.396 4.583 10.978 1.00 53.21 C ATOM 524 OD1 ASP A 32 1.298 4.727 11.833 1.00 64.00 O ATOM 525 OD2 ASP A 32 0.591 4.004 9.893 1.00 72.31 O ATOM 0 H ASP A 32 -1.600 2.771 10.530 1.00 34.13 H new ATOM 0 HA ASP A 32 -1.360 4.044 13.137 1.00 33.33 H new ATOM 0 HB2 ASP A 32 -1.533 5.277 10.344 1.00 62.44 H new ATOM 0 HB3 ASP A 32 -0.931 6.060 11.792 1.00 62.44 H new ATOM 530 N MET A 33 -4.196 4.063 11.613 1.00 43.03 N ATOM 531 CA MET A 33 -5.593 4.511 11.707 1.00 11.33 C ATOM 532 C MET A 33 -6.576 3.342 11.554 1.00 70.45 C ATOM 533 O MET A 33 -6.177 2.180 11.517 1.00 12.52 O ATOM 534 CB MET A 33 -5.872 5.582 10.644 1.00 24.21 C ATOM 535 CG MET A 33 -5.647 5.113 9.213 1.00 33.03 C ATOM 536 SD MET A 33 -6.037 6.389 7.999 1.00 25.44 S ATOM 537 CE MET A 33 -4.939 7.707 8.520 1.00 73.35 C ATOM 0 H MET A 33 -4.041 3.295 10.960 1.00 43.03 H new ATOM 0 HA MET A 33 -5.741 4.938 12.699 1.00 11.33 H new ATOM 0 HB2 MET A 33 -6.903 5.920 10.746 1.00 24.21 H new ATOM 0 HB3 MET A 33 -5.234 6.444 10.837 1.00 24.21 H new ATOM 0 HG2 MET A 33 -4.608 4.808 9.093 1.00 33.03 H new ATOM 0 HG3 MET A 33 -6.262 4.234 9.021 1.00 33.03 H new ATOM 0 HE1 MET A 33 -4.794 8.406 7.697 1.00 73.35 H new ATOM 0 HE2 MET A 33 -5.378 8.232 9.369 1.00 73.35 H new ATOM 0 HE3 MET A 33 -3.977 7.285 8.812 1.00 73.35 H new ATOM 547 N ASN A 34 -7.865 3.663 11.479 1.00 4.45 N ATOM 548 CA ASN A 34 -8.908 2.644 11.310 1.00 34.15 C ATOM 549 C ASN A 34 -9.007 2.167 9.849 1.00 52.02 C ATOM 550 O ASN A 34 -8.419 2.761 8.943 1.00 54.21 O ATOM 551 CB ASN A 34 -10.263 3.186 11.781 1.00 31.23 C ATOM 552 CG ASN A 34 -10.296 3.450 13.274 1.00 64.00 C ATOM 553 OD1 ASN A 34 -10.626 2.575 14.066 1.00 60.33 O ATOM 554 ND2 ASN A 34 -9.965 4.658 13.669 1.00 72.44 N ATOM 0 H ASN A 34 -8.216 4.619 11.532 1.00 4.45 H new ATOM 0 HA ASN A 34 -8.632 1.786 11.922 1.00 34.15 H new ATOM 0 HB2 ASN A 34 -10.487 4.110 11.247 1.00 31.23 H new ATOM 0 HB3 ASN A 34 -11.045 2.472 11.524 1.00 31.23 H new ATOM 0 HD21 ASN A 34 -9.978 4.891 14.662 1.00 72.44 H new ATOM 0 HD22 ASN A 34 -9.695 5.363 12.983 1.00 72.44 H new ATOM 561 N GLN A 35 -9.770 1.096 9.628 1.00 4.51 N ATOM 562 CA GLN A 35 -9.906 0.503 8.291 1.00 35.10 C ATOM 563 C GLN A 35 -10.869 1.320 7.412 1.00 35.51 C ATOM 564 O GLN A 35 -10.827 1.238 6.185 1.00 45.02 O ATOM 565 CB GLN A 35 -10.390 -0.956 8.404 1.00 63.12 C ATOM 566 CG GLN A 35 -9.610 -1.778 9.428 1.00 43.22 C ATOM 567 CD GLN A 35 -9.919 -3.268 9.368 1.00 13.21 C ATOM 568 OE1 GLN A 35 -10.849 -3.748 10.005 1.00 14.31 O ATOM 569 NE2 GLN A 35 -9.132 -4.013 8.615 1.00 34.33 N ATOM 0 H GLN A 35 -10.304 0.620 10.355 1.00 4.51 H new ATOM 0 HA GLN A 35 -8.926 0.517 7.814 1.00 35.10 H new ATOM 0 HB2 GLN A 35 -11.446 -0.960 8.674 1.00 63.12 H new ATOM 0 HB3 GLN A 35 -10.309 -1.434 7.428 1.00 63.12 H new ATOM 0 HG2 GLN A 35 -8.543 -1.629 9.266 1.00 43.22 H new ATOM 0 HG3 GLN A 35 -9.835 -1.408 10.428 1.00 43.22 H new ATOM 0 HE21 GLN A 35 -8.366 -3.583 8.097 1.00 34.33 H new ATOM 0 HE22 GLN A 35 -9.290 -5.019 8.551 1.00 34.33 H new ATOM 578 N SER A 36 -11.722 2.117 8.060 1.00 2.05 N ATOM 579 CA SER A 36 -12.717 2.954 7.365 1.00 65.23 C ATOM 580 C SER A 36 -12.078 3.889 6.322 1.00 13.32 C ATOM 581 O SER A 36 -12.297 3.731 5.116 1.00 31.30 O ATOM 582 CB SER A 36 -13.511 3.789 8.386 1.00 24.31 C ATOM 583 OG SER A 36 -14.386 4.704 7.746 1.00 42.23 O ATOM 0 H SER A 36 -11.747 2.204 9.076 1.00 2.05 H new ATOM 0 HA SER A 36 -13.385 2.277 6.833 1.00 65.23 H new ATOM 0 HB2 SER A 36 -14.087 3.125 9.031 1.00 24.31 H new ATOM 0 HB3 SER A 36 -12.819 4.335 9.027 1.00 24.31 H new ATOM 0 HG SER A 36 -14.876 5.216 8.423 1.00 42.23 H new ATOM 589 N SER A 37 -11.277 4.850 6.790 1.00 72.02 N ATOM 590 CA SER A 37 -10.672 5.863 5.905 1.00 23.44 C ATOM 591 C SER A 37 -9.837 5.223 4.792 1.00 54.53 C ATOM 592 O SER A 37 -10.032 5.517 3.612 1.00 2.21 O ATOM 593 CB SER A 37 -9.786 6.829 6.702 1.00 71.02 C ATOM 594 OG SER A 37 -9.239 7.837 5.863 1.00 0.34 O ATOM 0 H SER A 37 -11.029 4.952 7.774 1.00 72.02 H new ATOM 0 HA SER A 37 -11.496 6.413 5.451 1.00 23.44 H new ATOM 0 HB2 SER A 37 -10.371 7.292 7.496 1.00 71.02 H new ATOM 0 HB3 SER A 37 -8.979 6.275 7.182 1.00 71.02 H new ATOM 0 HG SER A 37 -8.487 7.467 5.355 1.00 0.34 H new ATOM 600 N LEU A 38 -8.916 4.343 5.173 1.00 13.45 N ATOM 601 CA LEU A 38 -8.030 3.677 4.213 1.00 21.54 C ATOM 602 C LEU A 38 -8.830 2.966 3.103 1.00 52.45 C ATOM 603 O LEU A 38 -8.454 3.010 1.930 1.00 62.32 O ATOM 604 CB LEU A 38 -7.125 2.675 4.947 1.00 21.21 C ATOM 605 CG LEU A 38 -6.057 1.980 4.077 1.00 51.21 C ATOM 606 CD1 LEU A 38 -5.094 3.003 3.473 1.00 23.43 C ATOM 607 CD2 LEU A 38 -5.295 0.938 4.895 1.00 33.04 C ATOM 0 H LEU A 38 -8.760 4.071 6.144 1.00 13.45 H new ATOM 0 HA LEU A 38 -7.413 4.438 3.736 1.00 21.54 H new ATOM 0 HB2 LEU A 38 -6.622 3.196 5.761 1.00 21.21 H new ATOM 0 HB3 LEU A 38 -7.754 1.909 5.400 1.00 21.21 H new ATOM 0 HG LEU A 38 -6.564 1.471 3.258 1.00 51.21 H new ATOM 0 HD11 LEU A 38 -4.351 2.488 2.864 1.00 23.43 H new ATOM 0 HD12 LEU A 38 -5.651 3.703 2.851 1.00 23.43 H new ATOM 0 HD13 LEU A 38 -4.593 3.548 4.273 1.00 23.43 H new ATOM 0 HD21 LEU A 38 -4.546 0.458 4.265 1.00 33.04 H new ATOM 0 HD22 LEU A 38 -4.803 1.425 5.737 1.00 33.04 H new ATOM 0 HD23 LEU A 38 -5.992 0.187 5.267 1.00 33.04 H new ATOM 619 N ALA A 39 -9.943 2.331 3.477 1.00 53.12 N ATOM 620 CA ALA A 39 -10.787 1.615 2.513 1.00 60.41 C ATOM 621 C ALA A 39 -11.571 2.571 1.597 1.00 15.32 C ATOM 622 O ALA A 39 -11.946 2.205 0.484 1.00 4.23 O ATOM 623 CB ALA A 39 -11.749 0.687 3.246 1.00 53.13 C ATOM 0 H ALA A 39 -10.282 2.297 4.438 1.00 53.12 H new ATOM 0 HA ALA A 39 -10.124 1.028 1.877 1.00 60.41 H new ATOM 0 HB1 ALA A 39 -12.370 0.161 2.521 1.00 53.13 H new ATOM 0 HB2 ALA A 39 -11.182 -0.037 3.831 1.00 53.13 H new ATOM 0 HB3 ALA A 39 -12.384 1.273 3.911 1.00 53.13 H new ATOM 629 N LYS A 40 -11.842 3.788 2.076 1.00 3.44 N ATOM 630 CA LYS A 40 -12.570 4.785 1.275 1.00 75.33 C ATOM 631 C LYS A 40 -11.626 5.605 0.382 1.00 23.44 C ATOM 632 O LYS A 40 -12.005 6.032 -0.710 1.00 31.22 O ATOM 633 CB LYS A 40 -13.380 5.729 2.175 1.00 42.10 C ATOM 634 CG LYS A 40 -14.491 5.035 2.958 1.00 42.55 C ATOM 635 CD LYS A 40 -15.463 6.043 3.565 1.00 24.51 C ATOM 636 CE LYS A 40 -16.172 6.858 2.484 1.00 34.43 C ATOM 637 NZ LYS A 40 -17.102 7.868 3.056 1.00 2.33 N ATOM 0 H LYS A 40 -11.572 4.108 3.006 1.00 3.44 H new ATOM 0 HA LYS A 40 -13.253 4.232 0.630 1.00 75.33 H new ATOM 0 HB2 LYS A 40 -12.703 6.215 2.877 1.00 42.10 H new ATOM 0 HB3 LYS A 40 -13.819 6.514 1.560 1.00 42.10 H new ATOM 0 HG2 LYS A 40 -15.033 4.357 2.299 1.00 42.55 H new ATOM 0 HG3 LYS A 40 -14.054 4.427 3.750 1.00 42.55 H new ATOM 0 HD2 LYS A 40 -16.202 5.518 4.170 1.00 24.51 H new ATOM 0 HD3 LYS A 40 -14.923 6.714 4.233 1.00 24.51 H new ATOM 0 HE2 LYS A 40 -15.429 7.361 1.866 1.00 34.43 H new ATOM 0 HE3 LYS A 40 -16.727 6.185 1.831 1.00 34.43 H new ATOM 0 HZ1 LYS A 40 -17.559 8.395 2.285 1.00 2.33 H new ATOM 0 HZ2 LYS A 40 -17.828 7.388 3.625 1.00 2.33 H new ATOM 0 HZ3 LYS A 40 -16.570 8.528 3.659 1.00 2.33 H new ATOM 651 N GLU A 41 -10.404 5.842 0.852 1.00 62.04 N ATOM 652 CA GLU A 41 -9.408 6.573 0.059 1.00 62.33 C ATOM 653 C GLU A 41 -8.867 5.700 -1.085 1.00 25.44 C ATOM 654 O GLU A 41 -8.580 6.197 -2.176 1.00 71.44 O ATOM 655 CB GLU A 41 -8.256 7.063 0.950 1.00 43.31 C ATOM 656 CG GLU A 41 -8.684 8.083 2.004 1.00 34.13 C ATOM 657 CD GLU A 41 -7.512 8.641 2.800 1.00 4.34 C ATOM 658 OE1 GLU A 41 -6.871 9.608 2.331 1.00 22.04 O ATOM 659 OE2 GLU A 41 -7.234 8.126 3.904 1.00 3.51 O ATOM 0 H GLU A 41 -10.077 5.543 1.771 1.00 62.04 H new ATOM 0 HA GLU A 41 -9.900 7.442 -0.378 1.00 62.33 H new ATOM 0 HB2 GLU A 41 -7.805 6.205 1.449 1.00 43.31 H new ATOM 0 HB3 GLU A 41 -7.485 7.507 0.320 1.00 43.31 H new ATOM 0 HG2 GLU A 41 -9.208 8.904 1.515 1.00 34.13 H new ATOM 0 HG3 GLU A 41 -9.392 7.615 2.689 1.00 34.13 H new ATOM 666 N CYS A 42 -8.746 4.400 -0.829 1.00 2.35 N ATOM 667 CA CYS A 42 -8.273 3.441 -1.838 1.00 40.31 C ATOM 668 C CYS A 42 -9.439 2.892 -2.677 1.00 1.21 C ATOM 669 O CYS A 42 -10.498 2.573 -2.142 1.00 24.50 O ATOM 670 CB CYS A 42 -7.548 2.272 -1.158 1.00 15.13 C ATOM 671 SG CYS A 42 -6.148 2.758 -0.125 1.00 34.11 S ATOM 0 H CYS A 42 -8.969 3.979 0.073 1.00 2.35 H new ATOM 0 HA CYS A 42 -7.585 3.969 -2.499 1.00 40.31 H new ATOM 0 HB2 CYS A 42 -8.264 1.725 -0.544 1.00 15.13 H new ATOM 0 HB3 CYS A 42 -7.195 1.584 -1.926 1.00 15.13 H new ATOM 0 HG CYS A 42 -5.610 3.840 -0.604 1.00 34.11 H new ATOM 677 N PRO A 43 -9.263 2.767 -4.010 1.00 1.52 N ATOM 678 CA PRO A 43 -10.290 2.180 -4.889 1.00 21.14 C ATOM 679 C PRO A 43 -10.327 0.640 -4.818 1.00 65.45 C ATOM 680 O PRO A 43 -11.102 -0.008 -5.528 1.00 34.51 O ATOM 681 CB PRO A 43 -9.852 2.652 -6.281 1.00 60.15 C ATOM 682 CG PRO A 43 -8.367 2.771 -6.182 1.00 55.41 C ATOM 683 CD PRO A 43 -8.076 3.212 -4.768 1.00 4.34 C ATOM 0 HA PRO A 43 -11.298 2.488 -4.610 1.00 21.14 H new ATOM 0 HB2 PRO A 43 -10.143 1.939 -7.052 1.00 60.15 H new ATOM 0 HB3 PRO A 43 -10.311 3.606 -6.540 1.00 60.15 H new ATOM 0 HG2 PRO A 43 -7.884 1.818 -6.400 1.00 55.41 H new ATOM 0 HG3 PRO A 43 -7.985 3.494 -6.902 1.00 55.41 H new ATOM 0 HD2 PRO A 43 -7.163 2.755 -4.386 1.00 4.34 H new ATOM 0 HD3 PRO A 43 -7.943 4.292 -4.705 1.00 4.34 H new ATOM 691 N LEU A 44 -9.483 0.059 -3.964 1.00 60.42 N ATOM 692 CA LEU A 44 -9.431 -1.398 -3.786 1.00 35.51 C ATOM 693 C LEU A 44 -10.610 -1.898 -2.939 1.00 23.25 C ATOM 694 O LEU A 44 -11.137 -1.173 -2.092 1.00 41.11 O ATOM 695 CB LEU A 44 -8.106 -1.830 -3.128 1.00 43.44 C ATOM 696 CG LEU A 44 -6.841 -1.695 -3.999 1.00 23.23 C ATOM 697 CD1 LEU A 44 -6.504 -0.230 -4.273 1.00 62.02 C ATOM 698 CD2 LEU A 44 -5.662 -2.412 -3.348 1.00 62.31 C ATOM 0 H LEU A 44 -8.823 0.575 -3.382 1.00 60.42 H new ATOM 0 HA LEU A 44 -9.496 -1.845 -4.778 1.00 35.51 H new ATOM 0 HB2 LEU A 44 -7.964 -1.240 -2.223 1.00 43.44 H new ATOM 0 HB3 LEU A 44 -8.200 -2.871 -2.818 1.00 43.44 H new ATOM 0 HG LEU A 44 -7.045 -2.169 -4.959 1.00 23.23 H new ATOM 0 HD11 LEU A 44 -5.607 -0.172 -4.890 1.00 62.02 H new ATOM 0 HD12 LEU A 44 -7.335 0.243 -4.796 1.00 62.02 H new ATOM 0 HD13 LEU A 44 -6.329 0.286 -3.329 1.00 62.02 H new ATOM 0 HD21 LEU A 44 -4.779 -2.305 -3.978 1.00 62.31 H new ATOM 0 HD22 LEU A 44 -5.465 -1.974 -2.369 1.00 62.31 H new ATOM 0 HD23 LEU A 44 -5.899 -3.470 -3.231 1.00 62.31 H new ATOM 710 N SER A 45 -11.011 -3.146 -3.165 1.00 21.33 N ATOM 711 CA SER A 45 -12.129 -3.749 -2.427 1.00 50.23 C ATOM 712 C SER A 45 -11.813 -3.874 -0.928 1.00 34.23 C ATOM 713 O SER A 45 -10.681 -4.178 -0.547 1.00 13.41 O ATOM 714 CB SER A 45 -12.453 -5.137 -2.999 1.00 51.15 C ATOM 715 OG SER A 45 -12.760 -5.069 -4.384 1.00 40.25 O ATOM 0 H SER A 45 -10.581 -3.764 -3.853 1.00 21.33 H new ATOM 0 HA SER A 45 -12.992 -3.093 -2.542 1.00 50.23 H new ATOM 0 HB2 SER A 45 -11.604 -5.803 -2.846 1.00 51.15 H new ATOM 0 HB3 SER A 45 -13.296 -5.567 -2.459 1.00 51.15 H new ATOM 0 HG SER A 45 -12.960 -5.968 -4.719 1.00 40.25 H new ATOM 721 N GLN A 46 -12.824 -3.663 -0.084 1.00 40.50 N ATOM 722 CA GLN A 46 -12.659 -3.745 1.375 1.00 1.41 C ATOM 723 C GLN A 46 -12.062 -5.103 1.786 1.00 71.22 C ATOM 724 O GLN A 46 -11.160 -5.173 2.628 1.00 51.33 O ATOM 725 CB GLN A 46 -14.020 -3.515 2.065 1.00 53.25 C ATOM 726 CG GLN A 46 -13.957 -3.331 3.587 1.00 43.12 C ATOM 727 CD GLN A 46 -13.727 -4.626 4.358 1.00 4.31 C ATOM 728 OE1 GLN A 46 -14.127 -5.703 3.930 1.00 14.04 O ATOM 729 NE2 GLN A 46 -13.083 -4.529 5.502 1.00 2.14 N ATOM 0 H GLN A 46 -13.771 -3.433 -0.384 1.00 40.50 H new ATOM 0 HA GLN A 46 -11.964 -2.968 1.694 1.00 1.41 H new ATOM 0 HB2 GLN A 46 -14.487 -2.633 1.627 1.00 53.25 H new ATOM 0 HB3 GLN A 46 -14.669 -4.362 1.844 1.00 53.25 H new ATOM 0 HG2 GLN A 46 -13.156 -2.631 3.825 1.00 43.12 H new ATOM 0 HG3 GLN A 46 -14.888 -2.878 3.927 1.00 43.12 H new ATOM 0 HE21 GLN A 46 -12.763 -3.618 5.831 1.00 2.14 H new ATOM 0 HE22 GLN A 46 -12.904 -5.365 6.059 1.00 2.14 H new ATOM 738 N SER A 47 -12.566 -6.179 1.183 1.00 14.34 N ATOM 739 CA SER A 47 -12.073 -7.537 1.464 1.00 4.44 C ATOM 740 C SER A 47 -10.581 -7.694 1.132 1.00 53.55 C ATOM 741 O SER A 47 -9.902 -8.538 1.708 1.00 13.50 O ATOM 742 CB SER A 47 -12.890 -8.580 0.688 1.00 25.33 C ATOM 743 OG SER A 47 -14.241 -8.607 1.125 1.00 73.11 O ATOM 0 H SER A 47 -13.317 -6.142 0.494 1.00 14.34 H new ATOM 0 HA SER A 47 -12.195 -7.703 2.534 1.00 4.44 H new ATOM 0 HB2 SER A 47 -12.855 -8.353 -0.378 1.00 25.33 H new ATOM 0 HB3 SER A 47 -12.443 -9.566 0.819 1.00 25.33 H new ATOM 0 HG SER A 47 -14.737 -9.279 0.612 1.00 73.11 H new ATOM 749 N MET A 48 -10.068 -6.881 0.210 1.00 1.25 N ATOM 750 CA MET A 48 -8.645 -6.934 -0.151 1.00 4.45 C ATOM 751 C MET A 48 -7.764 -6.412 0.995 1.00 13.44 C ATOM 752 O MET A 48 -6.989 -7.161 1.584 1.00 32.41 O ATOM 753 CB MET A 48 -8.375 -6.125 -1.430 1.00 22.41 C ATOM 754 CG MET A 48 -9.067 -6.677 -2.668 1.00 33.31 C ATOM 755 SD MET A 48 -8.786 -5.656 -4.129 1.00 44.33 S ATOM 756 CE MET A 48 -9.685 -6.581 -5.373 1.00 3.34 C ATOM 0 H MET A 48 -10.608 -6.182 -0.299 1.00 1.25 H new ATOM 0 HA MET A 48 -8.391 -7.978 -0.335 1.00 4.45 H new ATOM 0 HB2 MET A 48 -8.700 -5.097 -1.273 1.00 22.41 H new ATOM 0 HB3 MET A 48 -7.300 -6.096 -1.609 1.00 22.41 H new ATOM 0 HG2 MET A 48 -8.708 -7.688 -2.861 1.00 33.31 H new ATOM 0 HG3 MET A 48 -10.138 -6.749 -2.480 1.00 33.31 H new ATOM 0 HE1 MET A 48 -9.604 -6.073 -6.334 1.00 3.34 H new ATOM 0 HE2 MET A 48 -9.264 -7.583 -5.456 1.00 3.34 H new ATOM 0 HE3 MET A 48 -10.735 -6.651 -5.087 1.00 3.34 H new ATOM 766 N ILE A 49 -7.910 -5.129 1.321 1.00 11.13 N ATOM 767 CA ILE A 49 -7.101 -4.491 2.369 1.00 73.34 C ATOM 768 C ILE A 49 -7.189 -5.253 3.707 1.00 54.54 C ATOM 769 O ILE A 49 -6.222 -5.323 4.465 1.00 31.24 O ATOM 770 CB ILE A 49 -7.541 -3.019 2.590 1.00 34.42 C ATOM 771 CG1 ILE A 49 -7.469 -2.235 1.262 1.00 51.30 C ATOM 772 CG2 ILE A 49 -6.681 -2.347 3.667 1.00 74.52 C ATOM 773 CD1 ILE A 49 -7.930 -0.795 1.372 1.00 75.34 C ATOM 0 H ILE A 49 -8.583 -4.505 0.875 1.00 11.13 H new ATOM 0 HA ILE A 49 -6.067 -4.514 2.025 1.00 73.34 H new ATOM 0 HB ILE A 49 -8.574 -3.016 2.938 1.00 34.42 H new ATOM 0 HG12 ILE A 49 -6.442 -2.250 0.898 1.00 51.30 H new ATOM 0 HG13 ILE A 49 -8.079 -2.745 0.517 1.00 51.30 H new ATOM 0 HG21 ILE A 49 -7.009 -1.316 3.804 1.00 74.52 H new ATOM 0 HG22 ILE A 49 -6.786 -2.889 4.607 1.00 74.52 H new ATOM 0 HG23 ILE A 49 -5.636 -2.357 3.357 1.00 74.52 H new ATOM 0 HD11 ILE A 49 -7.849 -0.312 0.398 1.00 75.34 H new ATOM 0 HD12 ILE A 49 -8.968 -0.770 1.705 1.00 75.34 H new ATOM 0 HD13 ILE A 49 -7.305 -0.267 2.092 1.00 75.34 H new ATOM 785 N SER A 50 -8.354 -5.832 3.982 1.00 35.35 N ATOM 786 CA SER A 50 -8.578 -6.570 5.233 1.00 71.12 C ATOM 787 C SER A 50 -8.057 -8.016 5.161 1.00 35.11 C ATOM 788 O SER A 50 -7.183 -8.414 5.934 1.00 12.15 O ATOM 789 CB SER A 50 -10.074 -6.582 5.580 1.00 53.43 C ATOM 790 OG SER A 50 -10.836 -7.205 4.555 1.00 42.23 O ATOM 0 H SER A 50 -9.161 -5.808 3.359 1.00 35.35 H new ATOM 0 HA SER A 50 -8.018 -6.053 6.012 1.00 71.12 H new ATOM 0 HB2 SER A 50 -10.227 -7.109 6.522 1.00 53.43 H new ATOM 0 HB3 SER A 50 -10.424 -5.560 5.726 1.00 53.43 H new ATOM 0 HG SER A 50 -10.986 -6.568 3.826 1.00 42.23 H new ATOM 796 N SER A 51 -8.588 -8.798 4.223 1.00 31.01 N ATOM 797 CA SER A 51 -8.292 -10.240 4.156 1.00 12.10 C ATOM 798 C SER A 51 -6.840 -10.537 3.752 1.00 71.03 C ATOM 799 O SER A 51 -6.320 -11.604 4.066 1.00 74.21 O ATOM 800 CB SER A 51 -9.257 -10.947 3.199 1.00 13.31 C ATOM 801 OG SER A 51 -9.187 -12.356 3.338 1.00 1.34 O ATOM 0 H SER A 51 -9.224 -8.465 3.498 1.00 31.01 H new ATOM 0 HA SER A 51 -8.429 -10.628 5.165 1.00 12.10 H new ATOM 0 HB2 SER A 51 -10.276 -10.611 3.394 1.00 13.31 H new ATOM 0 HB3 SER A 51 -9.021 -10.669 2.172 1.00 13.31 H new ATOM 0 HG SER A 51 -9.876 -12.657 3.966 1.00 1.34 H new ATOM 807 N ILE A 52 -6.177 -9.605 3.065 1.00 10.23 N ATOM 808 CA ILE A 52 -4.753 -9.777 2.730 1.00 35.01 C ATOM 809 C ILE A 52 -3.877 -9.676 3.989 1.00 3.11 C ATOM 810 O ILE A 52 -2.965 -10.482 4.196 1.00 20.05 O ATOM 811 CB ILE A 52 -4.275 -8.744 1.674 1.00 23.12 C ATOM 812 CG1 ILE A 52 -4.963 -9.008 0.324 1.00 52.33 C ATOM 813 CG2 ILE A 52 -2.753 -8.779 1.520 1.00 23.54 C ATOM 814 CD1 ILE A 52 -4.579 -8.025 -0.765 1.00 44.53 C ATOM 0 H ILE A 52 -6.591 -8.734 2.732 1.00 10.23 H new ATOM 0 HA ILE A 52 -4.648 -10.773 2.300 1.00 35.01 H new ATOM 0 HB ILE A 52 -4.552 -7.748 2.019 1.00 23.12 H new ATOM 0 HG12 ILE A 52 -4.716 -10.017 -0.007 1.00 52.33 H new ATOM 0 HG13 ILE A 52 -6.043 -8.975 0.465 1.00 52.33 H new ATOM 0 HG21 ILE A 52 -2.446 -8.046 0.774 1.00 23.54 H new ATOM 0 HG22 ILE A 52 -2.285 -8.543 2.476 1.00 23.54 H new ATOM 0 HG23 ILE A 52 -2.442 -9.774 1.200 1.00 23.54 H new ATOM 0 HD11 ILE A 52 -5.105 -8.278 -1.685 1.00 44.53 H new ATOM 0 HD12 ILE A 52 -4.852 -7.016 -0.457 1.00 44.53 H new ATOM 0 HD13 ILE A 52 -3.504 -8.074 -0.937 1.00 44.53 H new ATOM 826 N VAL A 53 -4.167 -8.689 4.837 1.00 34.53 N ATOM 827 CA VAL A 53 -3.440 -8.519 6.101 1.00 35.45 C ATOM 828 C VAL A 53 -3.773 -9.654 7.086 1.00 61.14 C ATOM 829 O VAL A 53 -2.882 -10.226 7.719 1.00 50.41 O ATOM 830 CB VAL A 53 -3.758 -7.147 6.757 1.00 55.12 C ATOM 831 CG1 VAL A 53 -3.025 -6.987 8.089 1.00 21.35 C ATOM 832 CG2 VAL A 53 -3.399 -6.006 5.806 1.00 14.45 C ATOM 0 H VAL A 53 -4.897 -7.996 4.675 1.00 34.53 H new ATOM 0 HA VAL A 53 -2.376 -8.554 5.867 1.00 35.45 H new ATOM 0 HB VAL A 53 -4.829 -7.110 6.959 1.00 55.12 H new ATOM 0 HG11 VAL A 53 -3.268 -6.017 8.524 1.00 21.35 H new ATOM 0 HG12 VAL A 53 -3.334 -7.778 8.772 1.00 21.35 H new ATOM 0 HG13 VAL A 53 -1.950 -7.051 7.923 1.00 21.35 H new ATOM 0 HG21 VAL A 53 -3.628 -5.052 6.280 1.00 14.45 H new ATOM 0 HG22 VAL A 53 -2.335 -6.049 5.571 1.00 14.45 H new ATOM 0 HG23 VAL A 53 -3.977 -6.102 4.887 1.00 14.45 H new ATOM 842 N ASN A 54 -5.061 -9.978 7.202 1.00 5.21 N ATOM 843 CA ASN A 54 -5.517 -11.076 8.064 1.00 15.15 C ATOM 844 C ASN A 54 -5.031 -12.437 7.525 1.00 31.10 C ATOM 845 O ASN A 54 -4.639 -13.316 8.291 1.00 54.14 O ATOM 846 CB ASN A 54 -7.047 -11.052 8.163 1.00 71.45 C ATOM 847 CG ASN A 54 -7.579 -11.969 9.250 1.00 74.50 C ATOM 848 OD1 ASN A 54 -6.940 -12.175 10.275 1.00 32.32 O ATOM 849 ND2 ASN A 54 -8.756 -12.516 9.043 1.00 24.25 N ATOM 0 H ASN A 54 -5.812 -9.495 6.709 1.00 5.21 H new ATOM 0 HA ASN A 54 -5.092 -10.940 9.059 1.00 15.15 H new ATOM 0 HB2 ASN A 54 -7.378 -10.032 8.360 1.00 71.45 H new ATOM 0 HB3 ASN A 54 -7.474 -11.346 7.204 1.00 71.45 H new ATOM 0 HD21 ASN A 54 -9.163 -13.132 9.747 1.00 24.25 H new ATOM 0 HD22 ASN A 54 -9.263 -12.324 8.179 1.00 24.25 H new ATOM 856 N SER A 55 -5.087 -12.592 6.197 1.00 52.35 N ATOM 857 CA SER A 55 -4.526 -13.758 5.474 1.00 12.04 C ATOM 858 C SER A 55 -5.357 -15.048 5.625 1.00 20.01 C ATOM 859 O SER A 55 -5.766 -15.640 4.627 1.00 71.15 O ATOM 860 CB SER A 55 -3.072 -14.023 5.904 1.00 53.21 C ATOM 861 OG SER A 55 -2.250 -12.886 5.677 1.00 41.12 O ATOM 0 H SER A 55 -5.526 -11.909 5.580 1.00 52.35 H new ATOM 0 HA SER A 55 -4.559 -13.487 4.419 1.00 12.04 H new ATOM 0 HB2 SER A 55 -3.046 -14.288 6.961 1.00 53.21 H new ATOM 0 HB3 SER A 55 -2.677 -14.876 5.352 1.00 53.21 H new ATOM 0 HG SER A 55 -2.744 -12.226 5.147 1.00 41.12 H new ATOM 867 N THR A 56 -5.610 -15.461 6.867 1.00 44.24 N ATOM 868 CA THR A 56 -6.186 -16.789 7.178 1.00 74.51 C ATOM 869 C THR A 56 -7.305 -17.264 6.219 1.00 41.52 C ATOM 870 O THR A 56 -7.209 -18.355 5.656 1.00 70.30 O ATOM 871 CB THR A 56 -6.713 -16.845 8.634 1.00 34.12 C ATOM 872 OG1 THR A 56 -7.283 -18.133 8.909 1.00 60.35 O ATOM 873 CG2 THR A 56 -7.746 -15.753 8.902 1.00 4.52 C ATOM 0 H THR A 56 -5.425 -14.891 7.693 1.00 44.24 H new ATOM 0 HA THR A 56 -5.351 -17.476 7.041 1.00 74.51 H new ATOM 0 HB THR A 56 -5.864 -16.676 9.296 1.00 34.12 H new ATOM 0 HG1 THR A 56 -7.611 -18.155 9.832 1.00 60.35 H new ATOM 0 HG21 THR A 56 -8.092 -15.825 9.933 1.00 4.52 H new ATOM 0 HG22 THR A 56 -7.293 -14.775 8.739 1.00 4.52 H new ATOM 0 HG23 THR A 56 -8.592 -15.878 8.226 1.00 4.52 H new ATOM 881 N TYR A 57 -8.353 -16.460 6.018 1.00 20.14 N ATOM 882 CA TYR A 57 -9.525 -16.918 5.242 1.00 21.13 C ATOM 883 C TYR A 57 -9.463 -16.507 3.756 1.00 2.52 C ATOM 884 O TYR A 57 -10.451 -16.629 3.024 1.00 74.24 O ATOM 885 CB TYR A 57 -10.833 -16.410 5.888 1.00 54.31 C ATOM 886 CG TYR A 57 -11.123 -14.922 5.702 1.00 52.24 C ATOM 887 CD1 TYR A 57 -10.518 -13.960 6.503 1.00 70.52 C ATOM 888 CD2 TYR A 57 -12.023 -14.490 4.730 1.00 23.53 C ATOM 889 CE1 TYR A 57 -10.798 -12.615 6.341 1.00 44.10 C ATOM 890 CE2 TYR A 57 -12.305 -13.148 4.561 1.00 70.44 C ATOM 891 CZ TYR A 57 -11.693 -12.214 5.366 1.00 4.14 C ATOM 892 OH TYR A 57 -11.980 -10.873 5.201 1.00 65.04 O ATOM 0 H TYR A 57 -8.421 -15.506 6.371 1.00 20.14 H new ATOM 0 HA TYR A 57 -9.508 -18.008 5.266 1.00 21.13 H new ATOM 0 HB2 TYR A 57 -11.666 -16.979 5.476 1.00 54.31 H new ATOM 0 HB3 TYR A 57 -10.798 -16.625 6.956 1.00 54.31 H new ATOM 0 HD1 TYR A 57 -9.817 -14.268 7.265 1.00 70.52 H new ATOM 0 HD2 TYR A 57 -12.509 -15.218 4.097 1.00 23.53 H new ATOM 0 HE1 TYR A 57 -10.320 -11.881 6.973 1.00 44.10 H new ATOM 0 HE2 TYR A 57 -13.003 -12.833 3.800 1.00 70.44 H new ATOM 0 HH TYR A 57 -12.627 -10.764 4.473 1.00 65.04 H new ATOM 902 N TYR A 58 -8.299 -16.056 3.297 1.00 43.51 N ATOM 903 CA TYR A 58 -8.149 -15.591 1.913 1.00 41.23 C ATOM 904 C TYR A 58 -7.585 -16.704 1.007 1.00 33.32 C ATOM 905 O TYR A 58 -6.519 -17.258 1.279 1.00 34.32 O ATOM 906 CB TYR A 58 -7.240 -14.355 1.873 1.00 63.14 C ATOM 907 CG TYR A 58 -7.328 -13.574 0.575 1.00 14.43 C ATOM 908 CD1 TYR A 58 -8.445 -12.792 0.289 1.00 32.24 C ATOM 909 CD2 TYR A 58 -6.305 -13.616 -0.360 1.00 30.42 C ATOM 910 CE1 TYR A 58 -8.535 -12.079 -0.890 1.00 31.21 C ATOM 911 CE2 TYR A 58 -6.389 -12.906 -1.540 1.00 23.21 C ATOM 912 CZ TYR A 58 -7.504 -12.138 -1.800 1.00 54.25 C ATOM 913 OH TYR A 58 -7.587 -11.427 -2.976 1.00 10.21 O ATOM 0 H TYR A 58 -7.448 -16.001 3.856 1.00 43.51 H new ATOM 0 HA TYR A 58 -9.135 -15.322 1.534 1.00 41.23 H new ATOM 0 HB2 TYR A 58 -7.501 -13.696 2.701 1.00 63.14 H new ATOM 0 HB3 TYR A 58 -6.208 -14.669 2.028 1.00 63.14 H new ATOM 0 HD1 TYR A 58 -9.255 -12.743 1.002 1.00 32.24 H new ATOM 0 HD2 TYR A 58 -5.428 -14.214 -0.161 1.00 30.42 H new ATOM 0 HE1 TYR A 58 -9.409 -11.479 -1.097 1.00 31.21 H new ATOM 0 HE2 TYR A 58 -5.584 -12.952 -2.258 1.00 23.21 H new ATOM 0 HH TYR A 58 -6.844 -10.790 -3.026 1.00 10.21 H new ATOM 923 N ALA A 59 -8.308 -17.023 -0.070 1.00 25.31 N ATOM 924 CA ALA A 59 -7.913 -18.107 -0.987 1.00 73.12 C ATOM 925 C ALA A 59 -6.625 -17.781 -1.772 1.00 53.23 C ATOM 926 O ALA A 59 -5.546 -18.296 -1.465 1.00 40.32 O ATOM 927 CB ALA A 59 -9.054 -18.412 -1.949 1.00 74.45 C ATOM 0 H ALA A 59 -9.172 -16.548 -0.332 1.00 25.31 H new ATOM 0 HA ALA A 59 -7.698 -18.985 -0.378 1.00 73.12 H new ATOM 0 HB1 ALA A 59 -8.756 -19.214 -2.624 1.00 74.45 H new ATOM 0 HB2 ALA A 59 -9.933 -18.721 -1.384 1.00 74.45 H new ATOM 0 HB3 ALA A 59 -9.290 -17.519 -2.528 1.00 74.45 H new ATOM 933 N ASN A 60 -6.748 -16.930 -2.791 1.00 4.22 N ATOM 934 CA ASN A 60 -5.602 -16.527 -3.616 1.00 40.35 C ATOM 935 C ASN A 60 -5.794 -15.092 -4.129 1.00 13.11 C ATOM 936 O ASN A 60 -6.925 -14.634 -4.307 1.00 2.02 O ATOM 937 CB ASN A 60 -5.419 -17.497 -4.791 1.00 73.45 C ATOM 938 CG ASN A 60 -4.161 -17.214 -5.597 1.00 15.32 C ATOM 939 OD1 ASN A 60 -3.169 -16.714 -5.073 1.00 41.33 O ATOM 940 ND2 ASN A 60 -4.189 -17.530 -6.873 1.00 64.22 N ATOM 0 H ASN A 60 -7.632 -16.503 -3.068 1.00 4.22 H new ATOM 0 HA ASN A 60 -4.703 -16.559 -3.001 1.00 40.35 H new ATOM 0 HB2 ASN A 60 -5.380 -18.518 -4.411 1.00 73.45 H new ATOM 0 HB3 ASN A 60 -6.287 -17.434 -5.447 1.00 73.45 H new ATOM 0 HD21 ASN A 60 -3.371 -17.361 -7.458 1.00 64.22 H new ATOM 0 HD22 ASN A 60 -5.029 -17.944 -7.278 1.00 64.22 H new ATOM 947 N VAL A 61 -4.693 -14.387 -4.371 1.00 2.32 N ATOM 948 CA VAL A 61 -4.747 -12.964 -4.729 1.00 70.24 C ATOM 949 C VAL A 61 -4.407 -12.716 -6.211 1.00 63.40 C ATOM 950 O VAL A 61 -3.403 -13.208 -6.728 1.00 72.30 O ATOM 951 CB VAL A 61 -3.799 -12.131 -3.823 1.00 10.11 C ATOM 952 CG1 VAL A 61 -2.358 -12.631 -3.915 1.00 0.34 C ATOM 953 CG2 VAL A 61 -3.886 -10.643 -4.161 1.00 23.32 C ATOM 0 H VAL A 61 -3.750 -14.773 -4.327 1.00 2.32 H new ATOM 0 HA VAL A 61 -5.776 -12.642 -4.569 1.00 70.24 H new ATOM 0 HB VAL A 61 -4.128 -12.262 -2.792 1.00 10.11 H new ATOM 0 HG11 VAL A 61 -1.721 -12.027 -3.269 1.00 0.34 H new ATOM 0 HG12 VAL A 61 -2.313 -13.673 -3.597 1.00 0.34 H new ATOM 0 HG13 VAL A 61 -2.010 -12.551 -4.945 1.00 0.34 H new ATOM 0 HG21 VAL A 61 -3.213 -10.083 -3.512 1.00 23.32 H new ATOM 0 HG22 VAL A 61 -3.600 -10.489 -5.201 1.00 23.32 H new ATOM 0 HG23 VAL A 61 -4.908 -10.295 -4.011 1.00 23.32 H new ATOM 963 N SER A 62 -5.267 -11.960 -6.892 1.00 73.02 N ATOM 964 CA SER A 62 -5.021 -11.554 -8.284 1.00 23.45 C ATOM 965 C SER A 62 -4.097 -10.327 -8.333 1.00 52.34 C ATOM 966 O SER A 62 -4.335 -9.337 -7.647 1.00 61.42 O ATOM 967 CB SER A 62 -6.349 -11.238 -8.991 1.00 41.33 C ATOM 968 OG SER A 62 -7.226 -12.356 -8.970 1.00 61.23 O ATOM 0 H SER A 62 -6.145 -11.613 -6.505 1.00 73.02 H new ATOM 0 HA SER A 62 -4.533 -12.381 -8.800 1.00 23.45 H new ATOM 0 HB2 SER A 62 -6.829 -10.388 -8.505 1.00 41.33 H new ATOM 0 HB3 SER A 62 -6.153 -10.946 -10.023 1.00 41.33 H new ATOM 0 HG SER A 62 -8.062 -12.124 -9.425 1.00 61.23 H new ATOM 974 N ALA A 63 -3.048 -10.390 -9.152 1.00 43.15 N ATOM 975 CA ALA A 63 -2.039 -9.318 -9.223 1.00 32.44 C ATOM 976 C ALA A 63 -2.633 -7.957 -9.637 1.00 10.24 C ATOM 977 O ALA A 63 -2.022 -6.910 -9.411 1.00 15.43 O ATOM 978 CB ALA A 63 -0.925 -9.719 -10.179 1.00 12.01 C ATOM 0 H ALA A 63 -2.869 -11.173 -9.781 1.00 43.15 H new ATOM 0 HA ALA A 63 -1.639 -9.190 -8.217 1.00 32.44 H new ATOM 0 HB1 ALA A 63 -0.182 -8.922 -10.227 1.00 12.01 H new ATOM 0 HB2 ALA A 63 -0.452 -10.635 -9.823 1.00 12.01 H new ATOM 0 HB3 ALA A 63 -1.341 -9.888 -11.172 1.00 12.01 H new ATOM 984 N ALA A 64 -3.828 -7.978 -10.226 1.00 3.10 N ATOM 985 CA ALA A 64 -4.500 -6.753 -10.686 1.00 22.33 C ATOM 986 C ALA A 64 -4.571 -5.671 -9.589 1.00 74.43 C ATOM 987 O ALA A 64 -4.279 -4.500 -9.844 1.00 54.54 O ATOM 988 CB ALA A 64 -5.898 -7.087 -11.191 1.00 51.20 C ATOM 0 H ALA A 64 -4.357 -8.833 -10.399 1.00 3.10 H new ATOM 0 HA ALA A 64 -3.904 -6.341 -11.500 1.00 22.33 H new ATOM 0 HB1 ALA A 64 -6.390 -6.175 -11.530 1.00 51.20 H new ATOM 0 HB2 ALA A 64 -5.827 -7.791 -12.020 1.00 51.20 H new ATOM 0 HB3 ALA A 64 -6.479 -7.534 -10.384 1.00 51.20 H new ATOM 994 N LYS A 65 -4.943 -6.065 -8.367 1.00 44.24 N ATOM 995 CA LYS A 65 -5.054 -5.114 -7.248 1.00 60.25 C ATOM 996 C LYS A 65 -3.703 -4.465 -6.888 1.00 21.24 C ATOM 997 O LYS A 65 -3.665 -3.403 -6.268 1.00 74.41 O ATOM 998 CB LYS A 65 -5.692 -5.781 -6.007 1.00 71.43 C ATOM 999 CG LYS A 65 -5.215 -7.207 -5.708 1.00 11.25 C ATOM 1000 CD LYS A 65 -3.746 -7.274 -5.298 1.00 13.14 C ATOM 1001 CE LYS A 65 -3.479 -6.535 -3.997 1.00 21.42 C ATOM 1002 NZ LYS A 65 -2.063 -6.665 -3.587 1.00 55.32 N ATOM 0 H LYS A 65 -5.172 -7.029 -8.125 1.00 44.24 H new ATOM 0 HA LYS A 65 -5.712 -4.313 -7.585 1.00 60.25 H new ATOM 0 HB2 LYS A 65 -5.489 -5.158 -5.136 1.00 71.43 H new ATOM 0 HB3 LYS A 65 -6.774 -5.799 -6.141 1.00 71.43 H new ATOM 0 HG2 LYS A 65 -5.828 -7.629 -4.912 1.00 11.25 H new ATOM 0 HG3 LYS A 65 -5.368 -7.828 -6.591 1.00 11.25 H new ATOM 0 HD2 LYS A 65 -3.448 -8.317 -5.189 1.00 13.14 H new ATOM 0 HD3 LYS A 65 -3.130 -6.847 -6.089 1.00 13.14 H new ATOM 0 HE2 LYS A 65 -3.730 -5.481 -4.117 1.00 21.42 H new ATOM 0 HE3 LYS A 65 -4.125 -6.930 -3.213 1.00 21.42 H new ATOM 0 HZ1 LYS A 65 -1.865 -6.006 -2.807 1.00 55.32 H new ATOM 0 HZ2 LYS A 65 -1.881 -7.639 -3.272 1.00 55.32 H new ATOM 0 HZ3 LYS A 65 -1.446 -6.441 -4.394 1.00 55.32 H new ATOM 1016 N CYS A 66 -2.598 -5.105 -7.275 1.00 30.33 N ATOM 1017 CA CYS A 66 -1.261 -4.547 -7.024 1.00 34.24 C ATOM 1018 C CYS A 66 -0.964 -3.393 -7.983 1.00 74.15 C ATOM 1019 O CYS A 66 -0.382 -2.383 -7.592 1.00 34.25 O ATOM 1020 CB CYS A 66 -0.179 -5.631 -7.144 1.00 12.43 C ATOM 1021 SG CYS A 66 -0.221 -6.865 -5.818 1.00 35.24 S ATOM 0 H CYS A 66 -2.598 -6.003 -7.760 1.00 30.33 H new ATOM 0 HA CYS A 66 -1.248 -4.162 -6.004 1.00 34.24 H new ATOM 0 HB2 CYS A 66 -0.292 -6.138 -8.102 1.00 12.43 H new ATOM 0 HB3 CYS A 66 0.801 -5.153 -7.150 1.00 12.43 H new ATOM 0 HG CYS A 66 0.948 -6.935 -5.253 1.00 35.24 H new ATOM 1027 N GLN A 67 -1.381 -3.541 -9.240 1.00 71.54 N ATOM 1028 CA GLN A 67 -1.237 -2.467 -10.226 1.00 43.51 C ATOM 1029 C GLN A 67 -2.223 -1.325 -9.940 1.00 4.55 C ATOM 1030 O GLN A 67 -1.886 -0.150 -10.091 1.00 74.43 O ATOM 1031 CB GLN A 67 -1.444 -3.002 -11.650 1.00 33.11 C ATOM 1032 CG GLN A 67 -0.401 -4.029 -12.077 1.00 34.42 C ATOM 1033 CD GLN A 67 -0.556 -4.460 -13.526 1.00 55.42 C ATOM 1034 OE1 GLN A 67 0.016 -3.859 -14.433 1.00 62.01 O ATOM 1035 NE2 GLN A 67 -1.326 -5.505 -13.758 1.00 25.10 N ATOM 0 H GLN A 67 -1.819 -4.389 -9.600 1.00 71.54 H new ATOM 0 HA GLN A 67 -0.223 -2.075 -10.147 1.00 43.51 H new ATOM 0 HB2 GLN A 67 -2.434 -3.453 -11.719 1.00 33.11 H new ATOM 0 HB3 GLN A 67 -1.425 -2.166 -12.349 1.00 33.11 H new ATOM 0 HG2 GLN A 67 0.595 -3.610 -11.932 1.00 34.42 H new ATOM 0 HG3 GLN A 67 -0.475 -4.905 -11.432 1.00 34.42 H new ATOM 0 HE21 GLN A 67 -1.786 -5.981 -12.982 1.00 25.10 H new ATOM 0 HE22 GLN A 67 -1.461 -5.837 -14.713 1.00 25.10 H new ATOM 1044 N GLU A 68 -3.443 -1.678 -9.522 1.00 74.32 N ATOM 1045 CA GLU A 68 -4.447 -0.680 -9.123 1.00 45.11 C ATOM 1046 C GLU A 68 -3.934 0.161 -7.943 1.00 51.42 C ATOM 1047 O GLU A 68 -3.988 1.393 -7.966 1.00 30.42 O ATOM 1048 CB GLU A 68 -5.761 -1.375 -8.732 1.00 62.13 C ATOM 1049 CG GLU A 68 -6.914 -0.413 -8.443 1.00 43.14 C ATOM 1050 CD GLU A 68 -7.423 0.297 -9.692 1.00 10.42 C ATOM 1051 OE1 GLU A 68 -8.280 -0.278 -10.396 1.00 21.02 O ATOM 1052 OE2 GLU A 68 -6.969 1.429 -9.979 1.00 32.12 O ATOM 0 H GLU A 68 -3.761 -2.645 -9.450 1.00 74.32 H new ATOM 0 HA GLU A 68 -4.629 -0.020 -9.971 1.00 45.11 H new ATOM 0 HB2 GLU A 68 -6.057 -2.048 -9.537 1.00 62.13 H new ATOM 0 HB3 GLU A 68 -5.585 -1.990 -7.850 1.00 62.13 H new ATOM 0 HG2 GLU A 68 -7.735 -0.965 -7.985 1.00 43.14 H new ATOM 0 HG3 GLU A 68 -6.586 0.331 -7.717 1.00 43.14 H new ATOM 1059 N PHE A 69 -3.437 -0.519 -6.908 1.00 50.21 N ATOM 1060 CA PHE A 69 -2.823 0.157 -5.761 1.00 20.03 C ATOM 1061 C PHE A 69 -1.575 0.941 -6.185 1.00 13.23 C ATOM 1062 O PHE A 69 -1.320 2.036 -5.685 1.00 21.32 O ATOM 1063 CB PHE A 69 -2.453 -0.857 -4.672 1.00 32.31 C ATOM 1064 CG PHE A 69 -1.863 -0.223 -3.435 1.00 25.34 C ATOM 1065 CD1 PHE A 69 -2.686 0.344 -2.471 1.00 52.30 C ATOM 1066 CD2 PHE A 69 -0.488 -0.192 -3.237 1.00 61.12 C ATOM 1067 CE1 PHE A 69 -2.149 0.929 -1.341 1.00 2.04 C ATOM 1068 CE2 PHE A 69 0.050 0.393 -2.107 1.00 4.43 C ATOM 1069 CZ PHE A 69 -0.781 0.953 -1.157 1.00 74.41 C ATOM 0 H PHE A 69 -3.447 -1.537 -6.839 1.00 50.21 H new ATOM 0 HA PHE A 69 -3.554 0.859 -5.360 1.00 20.03 H new ATOM 0 HB2 PHE A 69 -3.344 -1.420 -4.393 1.00 32.31 H new ATOM 0 HB3 PHE A 69 -1.739 -1.572 -5.080 1.00 32.31 H new ATOM 0 HD1 PHE A 69 -3.757 0.327 -2.606 1.00 52.30 H new ATOM 0 HD2 PHE A 69 0.168 -0.630 -3.975 1.00 61.12 H new ATOM 0 HE1 PHE A 69 -2.800 1.368 -0.600 1.00 2.04 H new ATOM 0 HE2 PHE A 69 1.121 0.412 -1.967 1.00 4.43 H new ATOM 0 HZ PHE A 69 -0.362 1.409 -0.272 1.00 74.41 H new ATOM 1079 N GLY A 70 -0.796 0.366 -7.100 1.00 34.35 N ATOM 1080 CA GLY A 70 0.376 1.049 -7.630 1.00 74.20 C ATOM 1081 C GLY A 70 0.029 2.390 -8.265 1.00 2.45 C ATOM 1082 O GLY A 70 0.737 3.383 -8.076 1.00 64.21 O ATOM 0 H GLY A 70 -0.956 -0.565 -7.486 1.00 34.35 H new ATOM 0 HA2 GLY A 70 1.096 1.206 -6.827 1.00 74.20 H new ATOM 0 HA3 GLY A 70 0.859 0.413 -8.372 1.00 74.20 H new ATOM 1086 N ARG A 71 -1.071 2.415 -9.018 1.00 54.31 N ATOM 1087 CA ARG A 71 -1.581 3.652 -9.607 1.00 42.44 C ATOM 1088 C ARG A 71 -2.060 4.618 -8.512 1.00 62.51 C ATOM 1089 O ARG A 71 -1.755 5.813 -8.545 1.00 72.54 O ATOM 1090 CB ARG A 71 -2.741 3.352 -10.570 1.00 51.23 C ATOM 1091 CG ARG A 71 -3.288 4.597 -11.261 1.00 10.21 C ATOM 1092 CD ARG A 71 -4.560 4.312 -12.052 1.00 31.04 C ATOM 1093 NE ARG A 71 -5.049 5.516 -12.725 1.00 12.34 N ATOM 1094 CZ ARG A 71 -6.260 5.988 -12.619 1.00 52.34 C ATOM 1095 NH1 ARG A 71 -7.136 5.410 -11.864 1.00 0.24 N ATOM 1096 NH2 ARG A 71 -6.583 7.061 -13.258 1.00 54.34 N ATOM 0 H ARG A 71 -1.628 1.588 -9.235 1.00 54.31 H new ATOM 0 HA ARG A 71 -0.768 4.120 -10.161 1.00 42.44 H new ATOM 0 HB2 ARG A 71 -2.402 2.644 -11.326 1.00 51.23 H new ATOM 0 HB3 ARG A 71 -3.546 2.868 -10.018 1.00 51.23 H new ATOM 0 HG2 ARG A 71 -3.492 5.364 -10.514 1.00 10.21 H new ATOM 0 HG3 ARG A 71 -2.529 5.000 -11.932 1.00 10.21 H new ATOM 0 HD2 ARG A 71 -4.365 3.534 -12.790 1.00 31.04 H new ATOM 0 HD3 ARG A 71 -5.330 3.930 -11.382 1.00 31.04 H new ATOM 0 HE ARG A 71 -4.395 6.023 -13.321 1.00 12.34 H new ATOM 0 HH11 ARG A 71 -6.884 4.572 -11.340 1.00 0.24 H new ATOM 0 HH12 ARG A 71 -8.079 5.792 -11.792 1.00 0.24 H new ATOM 0 HH21 ARG A 71 -5.893 7.534 -13.841 1.00 54.34 H new ATOM 0 HH22 ARG A 71 -7.528 7.436 -13.180 1.00 54.34 H new ATOM 1110 N TRP A 72 -2.807 4.084 -7.544 1.00 43.15 N ATOM 1111 CA TRP A 72 -3.345 4.889 -6.444 1.00 21.21 C ATOM 1112 C TRP A 72 -2.230 5.557 -5.630 1.00 65.21 C ATOM 1113 O TRP A 72 -2.168 6.779 -5.552 1.00 32.50 O ATOM 1114 CB TRP A 72 -4.220 4.035 -5.516 1.00 4.04 C ATOM 1115 CG TRP A 72 -4.773 4.811 -4.355 1.00 45.34 C ATOM 1116 CD1 TRP A 72 -5.824 5.680 -4.382 1.00 25.13 C ATOM 1117 CD2 TRP A 72 -4.298 4.799 -3.001 1.00 40.24 C ATOM 1118 NE1 TRP A 72 -6.036 6.202 -3.133 1.00 52.34 N ATOM 1119 CE2 TRP A 72 -5.112 5.682 -2.268 1.00 31.24 C ATOM 1120 CE3 TRP A 72 -3.265 4.129 -2.339 1.00 31.05 C ATOM 1121 CZ2 TRP A 72 -4.925 5.913 -0.908 1.00 24.10 C ATOM 1122 CZ3 TRP A 72 -3.080 4.360 -0.987 1.00 33.55 C ATOM 1123 CH2 TRP A 72 -3.906 5.244 -0.286 1.00 23.24 C ATOM 0 H TRP A 72 -3.054 3.095 -7.499 1.00 43.15 H new ATOM 0 HA TRP A 72 -3.957 5.671 -6.893 1.00 21.21 H new ATOM 0 HB2 TRP A 72 -5.045 3.613 -6.090 1.00 4.04 H new ATOM 0 HB3 TRP A 72 -3.632 3.198 -5.140 1.00 4.04 H new ATOM 0 HD1 TRP A 72 -6.405 5.921 -5.260 1.00 25.13 H new ATOM 0 HE1 TRP A 72 -6.766 6.871 -2.887 1.00 52.34 H new ATOM 0 HE3 TRP A 72 -2.623 3.444 -2.873 1.00 31.05 H new ATOM 0 HZ2 TRP A 72 -5.561 6.595 -0.364 1.00 24.10 H new ATOM 0 HZ3 TRP A 72 -2.285 3.849 -0.465 1.00 33.55 H new ATOM 0 HH2 TRP A 72 -3.736 5.402 0.769 1.00 23.24 H new ATOM 1134 N TYR A 73 -1.345 4.750 -5.038 1.00 51.34 N ATOM 1135 CA TYR A 73 -0.271 5.275 -4.183 1.00 30.02 C ATOM 1136 C TYR A 73 0.636 6.237 -4.972 1.00 3.14 C ATOM 1137 O TYR A 73 1.160 7.208 -4.420 1.00 62.52 O ATOM 1138 CB TYR A 73 0.552 4.127 -3.575 1.00 71.32 C ATOM 1139 CG TYR A 73 1.271 4.513 -2.291 1.00 32.02 C ATOM 1140 CD1 TYR A 73 0.619 4.437 -1.064 1.00 75.31 C ATOM 1141 CD2 TYR A 73 2.590 4.962 -2.302 1.00 2.24 C ATOM 1142 CE1 TYR A 73 1.257 4.794 0.110 1.00 54.55 C ATOM 1143 CE2 TYR A 73 3.232 5.322 -1.131 1.00 12.20 C ATOM 1144 CZ TYR A 73 2.562 5.237 0.073 1.00 21.23 C ATOM 1145 OH TYR A 73 3.198 5.597 1.242 1.00 24.32 O ATOM 0 H TYR A 73 -1.349 3.734 -5.133 1.00 51.34 H new ATOM 0 HA TYR A 73 -0.730 5.834 -3.368 1.00 30.02 H new ATOM 0 HB2 TYR A 73 -0.108 3.284 -3.373 1.00 71.32 H new ATOM 0 HB3 TYR A 73 1.286 3.789 -4.306 1.00 71.32 H new ATOM 0 HD1 TYR A 73 -0.404 4.093 -1.028 1.00 75.31 H new ATOM 0 HD2 TYR A 73 3.120 5.030 -3.241 1.00 2.24 H new ATOM 0 HE1 TYR A 73 0.735 4.726 1.053 1.00 54.55 H new ATOM 0 HE2 TYR A 73 4.255 5.669 -1.158 1.00 12.20 H new ATOM 0 HH TYR A 73 4.113 5.885 1.041 1.00 24.32 H new ATOM 1155 N LYS A 74 0.806 5.967 -6.270 1.00 64.13 N ATOM 1156 CA LYS A 74 1.513 6.889 -7.164 1.00 74.34 C ATOM 1157 C LYS A 74 0.799 8.250 -7.207 1.00 62.11 C ATOM 1158 O LYS A 74 1.412 9.289 -6.992 1.00 23.31 O ATOM 1159 CB LYS A 74 1.604 6.310 -8.584 1.00 23.12 C ATOM 1160 CG LYS A 74 2.286 7.241 -9.588 1.00 71.34 C ATOM 1161 CD LYS A 74 2.250 6.682 -11.009 1.00 3.14 C ATOM 1162 CE LYS A 74 3.017 5.367 -11.133 1.00 42.03 C ATOM 1163 NZ LYS A 74 2.991 4.838 -12.523 1.00 52.34 N ATOM 0 H LYS A 74 0.465 5.120 -6.724 1.00 64.13 H new ATOM 0 HA LYS A 74 2.522 7.026 -6.775 1.00 74.34 H new ATOM 0 HB2 LYS A 74 2.150 5.367 -8.548 1.00 23.12 H new ATOM 0 HB3 LYS A 74 0.599 6.082 -8.939 1.00 23.12 H new ATOM 0 HG2 LYS A 74 1.796 8.214 -9.570 1.00 71.34 H new ATOM 0 HG3 LYS A 74 3.322 7.400 -9.288 1.00 71.34 H new ATOM 0 HD2 LYS A 74 1.214 6.526 -11.310 1.00 3.14 H new ATOM 0 HD3 LYS A 74 2.674 7.414 -11.696 1.00 3.14 H new ATOM 0 HE2 LYS A 74 4.051 5.519 -10.822 1.00 42.03 H new ATOM 0 HE3 LYS A 74 2.585 4.630 -10.456 1.00 42.03 H new ATOM 0 HZ1 LYS A 74 3.522 3.945 -12.565 1.00 52.34 H new ATOM 0 HZ2 LYS A 74 2.006 4.669 -12.812 1.00 52.34 H new ATOM 0 HZ3 LYS A 74 3.426 5.530 -13.166 1.00 52.34 H new ATOM 1177 N HIS A 75 -0.509 8.224 -7.471 1.00 41.41 N ATOM 1178 CA HIS A 75 -1.328 9.443 -7.531 1.00 13.43 C ATOM 1179 C HIS A 75 -1.462 10.104 -6.145 1.00 75.11 C ATOM 1180 O HIS A 75 -1.571 11.325 -6.034 1.00 4.42 O ATOM 1181 CB HIS A 75 -2.719 9.108 -8.095 1.00 64.10 C ATOM 1182 CG HIS A 75 -3.644 10.287 -8.175 1.00 35.43 C ATOM 1183 ND1 HIS A 75 -4.770 10.416 -7.391 1.00 33.22 N ATOM 1184 CD2 HIS A 75 -3.614 11.390 -8.960 1.00 63.50 C ATOM 1185 CE1 HIS A 75 -5.388 11.539 -7.690 1.00 25.10 C ATOM 1186 NE2 HIS A 75 -4.709 12.151 -8.637 1.00 32.43 N ATOM 0 H HIS A 75 -1.030 7.365 -7.649 1.00 41.41 H new ATOM 0 HA HIS A 75 -0.829 10.154 -8.190 1.00 13.43 H new ATOM 0 HB2 HIS A 75 -2.603 8.682 -9.091 1.00 64.10 H new ATOM 0 HB3 HIS A 75 -3.178 8.341 -7.471 1.00 64.10 H new ATOM 0 HD2 HIS A 75 -2.867 11.627 -9.703 1.00 63.50 H new ATOM 0 HE1 HIS A 75 -6.299 11.898 -7.235 1.00 25.10 H new ATOM 0 HE2 HIS A 75 -4.956 13.045 -9.061 1.00 32.43 H new ATOM 1195 N PHE A 76 -1.442 9.280 -5.102 1.00 42.44 N ATOM 1196 CA PHE A 76 -1.584 9.741 -3.717 1.00 71.25 C ATOM 1197 C PHE A 76 -0.448 10.703 -3.328 1.00 33.21 C ATOM 1198 O PHE A 76 -0.687 11.780 -2.776 1.00 44.34 O ATOM 1199 CB PHE A 76 -1.604 8.517 -2.784 1.00 73.41 C ATOM 1200 CG PHE A 76 -1.825 8.840 -1.328 1.00 13.34 C ATOM 1201 CD1 PHE A 76 -3.092 9.153 -0.858 1.00 41.02 C ATOM 1202 CD2 PHE A 76 -0.769 8.819 -0.426 1.00 25.33 C ATOM 1203 CE1 PHE A 76 -3.300 9.439 0.475 1.00 24.44 C ATOM 1204 CE2 PHE A 76 -0.974 9.107 0.908 1.00 42.13 C ATOM 1205 CZ PHE A 76 -2.241 9.416 1.359 1.00 50.12 C ATOM 0 H PHE A 76 -1.327 8.270 -5.189 1.00 42.44 H new ATOM 0 HA PHE A 76 -2.519 10.292 -3.620 1.00 71.25 H new ATOM 0 HB2 PHE A 76 -2.389 7.837 -3.115 1.00 73.41 H new ATOM 0 HB3 PHE A 76 -0.658 7.984 -2.885 1.00 73.41 H new ATOM 0 HD1 PHE A 76 -3.926 9.173 -1.544 1.00 41.02 H new ATOM 0 HD2 PHE A 76 0.224 8.574 -0.773 1.00 25.33 H new ATOM 0 HE1 PHE A 76 -4.292 9.681 0.827 1.00 24.44 H new ATOM 0 HE2 PHE A 76 -0.144 9.091 1.598 1.00 42.13 H new ATOM 0 HZ PHE A 76 -2.403 9.640 2.403 1.00 50.12 H new ATOM 1215 N LYS A 77 0.789 10.296 -3.613 1.00 70.51 N ATOM 1216 CA LYS A 77 1.968 11.145 -3.382 1.00 71.14 C ATOM 1217 C LYS A 77 2.287 12.009 -4.612 1.00 75.21 C ATOM 1218 O LYS A 77 2.909 13.067 -4.495 1.00 23.15 O ATOM 1219 CB LYS A 77 3.190 10.274 -3.036 1.00 62.03 C ATOM 1220 CG LYS A 77 3.071 9.542 -1.704 1.00 70.23 C ATOM 1221 CD LYS A 77 4.256 8.605 -1.439 1.00 2.33 C ATOM 1222 CE LYS A 77 5.607 9.327 -1.443 1.00 22.15 C ATOM 1223 NZ LYS A 77 6.209 9.398 -2.806 1.00 74.31 N ATOM 0 H LYS A 77 1.006 9.380 -4.006 1.00 70.51 H new ATOM 0 HA LYS A 77 1.740 11.807 -2.546 1.00 71.14 H new ATOM 0 HB2 LYS A 77 3.338 9.542 -3.830 1.00 62.03 H new ATOM 0 HB3 LYS A 77 4.079 10.905 -3.014 1.00 62.03 H new ATOM 0 HG2 LYS A 77 3.002 10.272 -0.897 1.00 70.23 H new ATOM 0 HG3 LYS A 77 2.146 8.965 -1.692 1.00 70.23 H new ATOM 0 HD2 LYS A 77 4.116 8.115 -0.475 1.00 2.33 H new ATOM 0 HD3 LYS A 77 4.268 7.821 -2.196 1.00 2.33 H new ATOM 0 HE2 LYS A 77 5.478 10.336 -1.053 1.00 22.15 H new ATOM 0 HE3 LYS A 77 6.294 8.811 -0.772 1.00 22.15 H new ATOM 0 HZ1 LYS A 77 6.762 10.274 -2.896 1.00 74.31 H new ATOM 0 HZ2 LYS A 77 6.832 8.579 -2.953 1.00 74.31 H new ATOM 0 HZ3 LYS A 77 5.453 9.391 -3.520 1.00 74.31 H new ATOM 1237 N LYS A 78 1.842 11.545 -5.779 1.00 31.10 N ATOM 1238 CA LYS A 78 2.210 12.124 -7.080 1.00 63.23 C ATOM 1239 C LYS A 78 3.716 11.969 -7.352 1.00 0.12 C ATOM 1240 O LYS A 78 4.111 11.246 -8.269 1.00 74.14 O ATOM 1241 CB LYS A 78 1.781 13.596 -7.206 1.00 73.44 C ATOM 1242 CG LYS A 78 0.264 13.808 -7.163 1.00 74.20 C ATOM 1243 CD LYS A 78 -0.163 15.043 -7.952 1.00 54.13 C ATOM 1244 CE LYS A 78 0.127 14.878 -9.442 1.00 3.14 C ATOM 1245 NZ LYS A 78 -0.232 16.088 -10.226 1.00 33.14 N ATOM 0 H LYS A 78 1.209 10.749 -5.854 1.00 31.10 H new ATOM 0 HA LYS A 78 1.664 11.563 -7.839 1.00 63.23 H new ATOM 0 HB2 LYS A 78 2.241 14.168 -6.400 1.00 73.44 H new ATOM 0 HB3 LYS A 78 2.167 13.998 -8.143 1.00 73.44 H new ATOM 0 HG2 LYS A 78 -0.237 12.928 -7.567 1.00 74.20 H new ATOM 0 HG3 LYS A 78 -0.059 13.910 -6.127 1.00 74.20 H new ATOM 0 HD2 LYS A 78 -1.228 15.221 -7.804 1.00 54.13 H new ATOM 0 HD3 LYS A 78 0.362 15.919 -7.572 1.00 54.13 H new ATOM 0 HE2 LYS A 78 1.186 14.659 -9.581 1.00 3.14 H new ATOM 0 HE3 LYS A 78 -0.429 14.022 -9.825 1.00 3.14 H new ATOM 0 HZ1 LYS A 78 -0.017 15.927 -11.231 1.00 33.14 H new ATOM 0 HZ2 LYS A 78 -1.247 16.284 -10.116 1.00 33.14 H new ATOM 0 HZ3 LYS A 78 0.317 16.901 -9.880 1.00 33.14 H new