USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=26 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 73 TYR OH : rot 166:sc= 1.05 USER MOD Set 1.2: A 77 LYS NZ :NH3+ 166:sc= 1.24 (180deg=0) USER MOD Set 2.1: A 58 TYR OH : rot 150:sc= 0.224 USER MOD Set 2.2: A 62 SER OG : rot 60:sc= 0.024 USER MOD Single : A 10 HIS : no HE2:sc= 0.607 K(o=0.61,f=-2.9!) USER MOD Single : A 11 MET CE :methyl 162:sc= -0.0729 (180deg=-0.499) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot -134:sc= 0.621 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 24 ASN : amide:sc= 0.0533! X(o=0.053!,f=-0.028) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 176:sc= 2.25 (180deg=2.23) USER MOD Single : A 33 MET CE :methyl -140:sc= -0.371 (180deg=-1.85) USER MOD Single : A 34 ASN : amide:sc= -0.578 K(o=-0.58,f=0) USER MOD Single : A 35 GLN : amide:sc= -3.16! C(o=-3.2!,f=-6!) 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+ -167:sc= -0.0552 (180deg=-0.29) USER MOD Single : A 42 CYS SG : rot 95:sc= 1.08 USER MOD Single : A 45 SER OG : rot 180:sc= -0.143 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 150:sc= -0.456 (180deg=-2.35!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 99:sc= 0.261 USER MOD Single : A 54 ASN : amide:sc= -1.7! C(o=-1.7!,f=-3.1!) USER MOD Single : A 55 SER OG : rot -171:sc= 1.08 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00361 K(o=-0.0036,f=-0.86) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -3.02! (180deg=-4.07!) USER MOD Single : A 66 CYS SG : rot -28:sc= 1.02 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=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=-0.00072) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0397) USER MOD ----------------------------------------------------------------- ATOM 146 N HIS A 10 14.471 2.325 -4.710 1.00 15.11 N ATOM 147 CA HIS A 10 13.444 2.518 -5.760 1.00 1.32 C ATOM 148 C HIS A 10 12.103 1.792 -5.490 1.00 55.42 C ATOM 149 O HIS A 10 11.145 1.972 -6.245 1.00 13.04 O ATOM 150 CB HIS A 10 14.004 2.075 -7.121 1.00 31.24 C ATOM 151 CG HIS A 10 15.245 2.816 -7.532 1.00 11.35 C ATOM 152 ND1 HIS A 10 15.245 3.819 -8.475 1.00 72.44 N ATOM 153 CD2 HIS A 10 16.531 2.695 -7.122 1.00 52.00 C ATOM 154 CE1 HIS A 10 16.468 4.283 -8.625 1.00 74.44 C ATOM 155 NE2 HIS A 10 17.265 3.620 -7.817 1.00 54.30 N ATOM 0 HA HIS A 10 13.214 3.583 -5.757 1.00 1.32 H new ATOM 0 HB2 HIS A 10 14.224 1.008 -7.084 1.00 31.24 H new ATOM 0 HB3 HIS A 10 13.238 2.216 -7.883 1.00 31.24 H new ATOM 0 HD1 HIS A 10 14.424 4.152 -8.980 1.00 72.44 H new ATOM 0 HD2 HIS A 10 16.907 2.000 -6.386 1.00 52.00 H new ATOM 0 HE1 HIS A 10 16.766 5.074 -9.298 1.00 74.44 H new ATOM 164 N MET A 11 12.023 0.989 -4.428 1.00 63.52 N ATOM 165 CA MET A 11 10.801 0.218 -4.136 1.00 2.23 C ATOM 166 C MET A 11 9.726 1.068 -3.435 1.00 32.04 C ATOM 167 O MET A 11 8.533 0.872 -3.659 1.00 4.44 O ATOM 168 CB MET A 11 11.134 -1.015 -3.282 1.00 53.20 C ATOM 169 CG MET A 11 9.937 -1.931 -3.040 1.00 41.45 C ATOM 170 SD MET A 11 10.352 -3.392 -2.060 1.00 13.44 S ATOM 171 CE MET A 11 10.870 -2.645 -0.515 1.00 44.43 C ATOM 0 H MET A 11 12.779 0.852 -3.758 1.00 63.52 H new ATOM 0 HA MET A 11 10.392 -0.103 -5.094 1.00 2.23 H new ATOM 0 HB2 MET A 11 11.923 -1.584 -3.773 1.00 53.20 H new ATOM 0 HB3 MET A 11 11.529 -0.685 -2.321 1.00 53.20 H new ATOM 0 HG2 MET A 11 9.154 -1.369 -2.531 1.00 41.45 H new ATOM 0 HG3 MET A 11 9.529 -2.248 -4.000 1.00 41.45 H new ATOM 0 HE1 MET A 11 10.849 -3.394 0.277 1.00 44.43 H new ATOM 0 HE2 MET A 11 11.883 -2.257 -0.620 1.00 44.43 H new ATOM 0 HE3 MET A 11 10.194 -1.829 -0.261 1.00 44.43 H new ATOM 181 N LEU A 12 10.149 1.996 -2.573 1.00 0.42 N ATOM 182 CA LEU A 12 9.205 2.883 -1.873 1.00 74.41 C ATOM 183 C LEU A 12 8.494 3.829 -2.866 1.00 72.32 C ATOM 184 O LEU A 12 7.275 3.994 -2.802 1.00 51.34 O ATOM 185 CB LEU A 12 9.906 3.688 -0.757 1.00 23.20 C ATOM 186 CG LEU A 12 10.409 2.869 0.449 1.00 72.12 C ATOM 187 CD1 LEU A 12 11.567 1.950 0.057 1.00 55.42 C ATOM 188 CD2 LEU A 12 10.820 3.798 1.591 1.00 14.05 C ATOM 0 H LEU A 12 11.130 2.155 -2.342 1.00 0.42 H new ATOM 0 HA LEU A 12 8.451 2.252 -1.403 1.00 74.41 H new ATOM 0 HB2 LEU A 12 10.755 4.214 -1.194 1.00 23.20 H new ATOM 0 HB3 LEU A 12 9.213 4.447 -0.393 1.00 23.20 H new ATOM 0 HG LEU A 12 9.588 2.238 0.790 1.00 72.12 H new ATOM 0 HD11 LEU A 12 11.897 1.388 0.930 1.00 55.42 H new ATOM 0 HD12 LEU A 12 11.236 1.257 -0.717 1.00 55.42 H new ATOM 0 HD13 LEU A 12 12.395 2.549 -0.323 1.00 55.42 H new ATOM 0 HD21 LEU A 12 11.172 3.204 2.434 1.00 14.05 H new ATOM 0 HD22 LEU A 12 11.619 4.458 1.253 1.00 14.05 H new ATOM 0 HD23 LEU A 12 9.962 4.395 1.901 1.00 14.05 H new ATOM 200 N PRO A 13 9.242 4.488 -3.787 1.00 41.14 N ATOM 201 CA PRO A 13 8.629 5.198 -4.925 1.00 21.14 C ATOM 202 C PRO A 13 7.843 4.241 -5.848 1.00 71.30 C ATOM 203 O PRO A 13 8.053 3.028 -5.824 1.00 11.02 O ATOM 204 CB PRO A 13 9.839 5.800 -5.666 1.00 15.22 C ATOM 205 CG PRO A 13 10.927 5.843 -4.649 1.00 31.24 C ATOM 206 CD PRO A 13 10.710 4.639 -3.780 1.00 74.13 C ATOM 0 HA PRO A 13 7.903 5.944 -4.603 1.00 21.14 H new ATOM 0 HB2 PRO A 13 10.122 5.188 -6.522 1.00 15.22 H new ATOM 0 HB3 PRO A 13 9.614 6.796 -6.046 1.00 15.22 H new ATOM 0 HG2 PRO A 13 11.908 5.814 -5.122 1.00 31.24 H new ATOM 0 HG3 PRO A 13 10.882 6.762 -4.065 1.00 31.24 H new ATOM 0 HD2 PRO A 13 11.209 3.756 -4.180 1.00 74.13 H new ATOM 0 HD3 PRO A 13 11.096 4.793 -2.772 1.00 74.13 H new ATOM 214 N PRO A 14 6.938 4.766 -6.693 1.00 1.15 N ATOM 215 CA PRO A 14 6.089 3.929 -7.563 1.00 10.21 C ATOM 216 C PRO A 14 6.827 3.399 -8.811 1.00 14.33 C ATOM 217 O PRO A 14 6.241 3.293 -9.893 1.00 23.25 O ATOM 218 CB PRO A 14 4.977 4.902 -7.962 1.00 75.31 C ATOM 219 CG PRO A 14 5.648 6.232 -7.993 1.00 33.42 C ATOM 220 CD PRO A 14 6.660 6.207 -6.874 1.00 11.23 C ATOM 0 HA PRO A 14 5.746 3.026 -7.059 1.00 10.21 H new ATOM 0 HB2 PRO A 14 4.554 4.647 -8.934 1.00 75.31 H new ATOM 0 HB3 PRO A 14 4.157 4.886 -7.244 1.00 75.31 H new ATOM 0 HG2 PRO A 14 6.132 6.404 -8.954 1.00 33.42 H new ATOM 0 HG3 PRO A 14 4.927 7.037 -7.851 1.00 33.42 H new ATOM 0 HD2 PRO A 14 7.562 6.760 -7.136 1.00 11.23 H new ATOM 0 HD3 PRO A 14 6.263 6.657 -5.964 1.00 11.23 H new ATOM 228 N GLU A 15 8.101 3.034 -8.650 1.00 55.21 N ATOM 229 CA GLU A 15 8.923 2.586 -9.778 1.00 74.42 C ATOM 230 C GLU A 15 8.731 1.089 -10.070 1.00 70.45 C ATOM 231 O GLU A 15 8.591 0.688 -11.228 1.00 43.21 O ATOM 232 CB GLU A 15 10.404 2.888 -9.505 1.00 44.34 C ATOM 233 CG GLU A 15 11.317 2.665 -10.710 1.00 72.11 C ATOM 234 CD GLU A 15 12.745 3.122 -10.461 1.00 72.04 C ATOM 235 OE1 GLU A 15 12.944 4.317 -10.146 1.00 34.34 O ATOM 236 OE2 GLU A 15 13.680 2.304 -10.593 1.00 14.53 O ATOM 0 H GLU A 15 8.585 3.040 -7.752 1.00 55.21 H new ATOM 0 HA GLU A 15 8.598 3.136 -10.661 1.00 74.42 H new ATOM 0 HB2 GLU A 15 10.499 3.923 -9.177 1.00 44.34 H new ATOM 0 HB3 GLU A 15 10.746 2.261 -8.682 1.00 44.34 H new ATOM 0 HG2 GLU A 15 11.319 1.606 -10.967 1.00 72.11 H new ATOM 0 HG3 GLU A 15 10.914 3.201 -11.569 1.00 72.11 H new ATOM 243 N GLN A 16 8.722 0.265 -9.022 1.00 61.45 N ATOM 244 CA GLN A 16 8.571 -1.188 -9.188 1.00 55.45 C ATOM 245 C GLN A 16 7.924 -1.845 -7.952 1.00 25.03 C ATOM 246 O GLN A 16 8.589 -2.097 -6.945 1.00 52.12 O ATOM 247 CB GLN A 16 9.938 -1.828 -9.469 1.00 13.55 C ATOM 248 CG GLN A 16 9.871 -3.324 -9.755 1.00 23.11 C ATOM 249 CD GLN A 16 11.240 -3.938 -9.993 1.00 42.40 C ATOM 250 OE1 GLN A 16 12.245 -3.489 -9.446 1.00 72.41 O ATOM 251 NE2 GLN A 16 11.296 -4.970 -10.807 1.00 33.32 N ATOM 0 H GLN A 16 8.817 0.572 -8.054 1.00 61.45 H new ATOM 0 HA GLN A 16 7.907 -1.356 -10.035 1.00 55.45 H new ATOM 0 HB2 GLN A 16 10.396 -1.325 -10.321 1.00 13.55 H new ATOM 0 HB3 GLN A 16 10.590 -1.660 -8.612 1.00 13.55 H new ATOM 0 HG2 GLN A 16 9.392 -3.829 -8.916 1.00 23.11 H new ATOM 0 HG3 GLN A 16 9.244 -3.495 -10.630 1.00 23.11 H new ATOM 0 HE21 GLN A 16 10.444 -5.320 -11.246 1.00 33.32 H new ATOM 0 HE22 GLN A 16 12.191 -5.420 -10.999 1.00 33.32 H new ATOM 260 N TRP A 17 6.623 -2.122 -8.041 1.00 4.53 N ATOM 261 CA TRP A 17 5.879 -2.753 -6.941 1.00 63.20 C ATOM 262 C TRP A 17 5.464 -4.191 -7.285 1.00 34.40 C ATOM 263 O TRP A 17 4.961 -4.467 -8.378 1.00 72.44 O ATOM 264 CB TRP A 17 4.648 -1.909 -6.576 1.00 5.21 C ATOM 265 CG TRP A 17 4.984 -0.704 -5.743 1.00 4.00 C ATOM 266 CD1 TRP A 17 5.888 0.276 -6.038 1.00 4.51 C ATOM 267 CD2 TRP A 17 4.417 -0.357 -4.474 1.00 1.21 C ATOM 268 NE1 TRP A 17 5.932 1.199 -5.024 1.00 40.01 N ATOM 269 CE2 TRP A 17 5.035 0.837 -4.054 1.00 52.03 C ATOM 270 CE3 TRP A 17 3.450 -0.942 -3.649 1.00 71.51 C ATOM 271 CZ2 TRP A 17 4.716 1.455 -2.848 1.00 3.03 C ATOM 272 CZ3 TRP A 17 3.132 -0.326 -2.452 1.00 35.45 C ATOM 273 CH2 TRP A 17 3.765 0.863 -2.061 1.00 20.03 C ATOM 0 H TRP A 17 6.057 -1.920 -8.865 1.00 4.53 H new ATOM 0 HA TRP A 17 6.543 -2.802 -6.078 1.00 63.20 H new ATOM 0 HB2 TRP A 17 4.154 -1.584 -7.491 1.00 5.21 H new ATOM 0 HB3 TRP A 17 3.936 -2.531 -6.033 1.00 5.21 H new ATOM 0 HD1 TRP A 17 6.482 0.318 -6.939 1.00 4.51 H new ATOM 0 HE1 TRP A 17 6.535 2.021 -4.997 1.00 40.01 H new ATOM 0 HE3 TRP A 17 2.960 -1.859 -3.942 1.00 71.51 H new ATOM 0 HZ2 TRP A 17 5.202 2.370 -2.544 1.00 3.03 H new ATOM 0 HZ3 TRP A 17 2.385 -0.767 -1.809 1.00 35.45 H new ATOM 0 HH2 TRP A 17 3.497 1.321 -1.120 1.00 20.03 H new ATOM 284 N SER A 18 5.694 -5.103 -6.339 1.00 24.32 N ATOM 285 CA SER A 18 5.422 -6.537 -6.538 1.00 10.33 C ATOM 286 C SER A 18 3.984 -6.923 -6.140 1.00 12.31 C ATOM 287 O SER A 18 3.155 -6.066 -5.828 1.00 23.15 O ATOM 288 CB SER A 18 6.432 -7.373 -5.738 1.00 5.30 C ATOM 289 OG SER A 18 7.766 -7.079 -6.127 1.00 50.43 O ATOM 0 H SER A 18 6.071 -4.876 -5.419 1.00 24.32 H new ATOM 0 HA SER A 18 5.528 -6.745 -7.603 1.00 10.33 H new ATOM 0 HB2 SER A 18 6.309 -7.175 -4.673 1.00 5.30 H new ATOM 0 HB3 SER A 18 6.232 -8.434 -5.890 1.00 5.30 H new ATOM 0 HG SER A 18 8.388 -7.624 -5.601 1.00 50.43 H new ATOM 295 N HIS A 19 3.699 -8.228 -6.141 1.00 62.43 N ATOM 296 CA HIS A 19 2.335 -8.731 -5.914 1.00 52.53 C ATOM 297 C HIS A 19 1.887 -8.596 -4.444 1.00 14.54 C ATOM 298 O HIS A 19 0.986 -7.808 -4.128 1.00 32.32 O ATOM 299 CB HIS A 19 2.233 -10.200 -6.354 1.00 51.44 C ATOM 300 CG HIS A 19 2.618 -10.427 -7.784 1.00 64.03 C ATOM 301 ND1 HIS A 19 3.765 -11.089 -8.160 1.00 34.35 N ATOM 302 CD2 HIS A 19 2.005 -10.069 -8.936 1.00 33.14 C ATOM 303 CE1 HIS A 19 3.845 -11.122 -9.473 1.00 5.30 C ATOM 304 NE2 HIS A 19 2.790 -10.512 -9.970 1.00 42.51 N ATOM 0 H HIS A 19 4.393 -8.959 -6.296 1.00 62.43 H new ATOM 0 HA HIS A 19 1.667 -8.114 -6.514 1.00 52.53 H new ATOM 0 HB2 HIS A 19 2.873 -10.807 -5.714 1.00 51.44 H new ATOM 0 HB3 HIS A 19 1.210 -10.545 -6.203 1.00 51.44 H new ATOM 0 HD2 HIS A 19 1.071 -9.534 -9.025 1.00 33.14 H new ATOM 0 HE1 HIS A 19 4.642 -11.573 -10.046 1.00 5.30 H new ATOM 0 HE2 HIS A 19 2.589 -10.389 -10.962 1.00 42.51 H new ATOM 313 N THR A 20 2.513 -9.367 -3.556 1.00 72.14 N ATOM 314 CA THR A 20 2.100 -9.444 -2.144 1.00 32.51 C ATOM 315 C THR A 20 2.811 -8.396 -1.261 1.00 35.23 C ATOM 316 O THR A 20 2.342 -8.082 -0.167 1.00 1.11 O ATOM 317 CB THR A 20 2.370 -10.861 -1.569 1.00 14.32 C ATOM 318 OG1 THR A 20 1.780 -11.860 -2.421 1.00 43.23 O ATOM 319 CG2 THR A 20 1.803 -11.010 -0.158 1.00 54.23 C ATOM 0 H THR A 20 3.315 -9.954 -3.786 1.00 72.14 H new ATOM 0 HA THR A 20 1.031 -9.232 -2.125 1.00 32.51 H new ATOM 0 HB THR A 20 3.450 -10.998 -1.525 1.00 14.32 H new ATOM 0 HG1 THR A 20 1.296 -12.513 -1.873 1.00 43.23 H new ATOM 0 HG21 THR A 20 2.010 -12.014 0.213 1.00 54.23 H new ATOM 0 HG22 THR A 20 2.268 -10.276 0.500 1.00 54.23 H new ATOM 0 HG23 THR A 20 0.726 -10.846 -0.180 1.00 54.23 H new ATOM 327 N THR A 21 3.928 -7.848 -1.748 1.00 73.35 N ATOM 328 CA THR A 21 4.729 -6.855 -0.990 1.00 42.24 C ATOM 329 C THR A 21 3.870 -5.711 -0.408 1.00 63.13 C ATOM 330 O THR A 21 4.190 -5.156 0.648 1.00 62.24 O ATOM 331 CB THR A 21 5.855 -6.247 -1.870 1.00 15.53 C ATOM 332 OG1 THR A 21 6.761 -7.277 -2.298 1.00 12.22 O ATOM 333 CG2 THR A 21 6.640 -5.168 -1.121 1.00 52.52 C ATOM 0 H THR A 21 4.308 -8.070 -2.668 1.00 73.35 H new ATOM 0 HA THR A 21 5.169 -7.405 -0.158 1.00 42.24 H new ATOM 0 HB THR A 21 5.378 -5.787 -2.735 1.00 15.53 H new ATOM 0 HG1 THR A 21 7.466 -6.883 -2.853 1.00 12.22 H new ATOM 0 HG21 THR A 21 7.418 -4.767 -1.770 1.00 52.52 H new ATOM 0 HG22 THR A 21 5.964 -4.365 -0.826 1.00 52.52 H new ATOM 0 HG23 THR A 21 7.097 -5.602 -0.232 1.00 52.52 H new ATOM 341 N VAL A 22 2.774 -5.368 -1.089 1.00 33.13 N ATOM 342 CA VAL A 22 1.855 -4.316 -0.614 1.00 34.44 C ATOM 343 C VAL A 22 1.367 -4.590 0.827 1.00 64.20 C ATOM 344 O VAL A 22 1.097 -3.661 1.591 1.00 52.14 O ATOM 345 CB VAL A 22 0.627 -4.179 -1.552 1.00 72.13 C ATOM 346 CG1 VAL A 22 -0.297 -3.051 -1.087 1.00 43.33 C ATOM 347 CG2 VAL A 22 1.075 -3.958 -2.998 1.00 34.53 C ATOM 0 H VAL A 22 2.496 -5.799 -1.971 1.00 33.13 H new ATOM 0 HA VAL A 22 2.419 -3.383 -0.620 1.00 34.44 H new ATOM 0 HB VAL A 22 0.063 -5.110 -1.509 1.00 72.13 H new ATOM 0 HG11 VAL A 22 -1.149 -2.977 -1.762 1.00 43.33 H new ATOM 0 HG12 VAL A 22 -0.651 -3.263 -0.078 1.00 43.33 H new ATOM 0 HG13 VAL A 22 0.250 -2.108 -1.089 1.00 43.33 H new ATOM 0 HG21 VAL A 22 0.199 -3.864 -3.640 1.00 34.53 H new ATOM 0 HG22 VAL A 22 1.669 -3.046 -3.060 1.00 34.53 H new ATOM 0 HG23 VAL A 22 1.676 -4.806 -3.326 1.00 34.53 H new ATOM 357 N ARG A 23 1.279 -5.873 1.184 1.00 22.15 N ATOM 358 CA ARG A 23 0.887 -6.300 2.538 1.00 44.34 C ATOM 359 C ARG A 23 1.792 -5.660 3.610 1.00 35.44 C ATOM 360 O ARG A 23 1.337 -5.304 4.696 1.00 30.11 O ATOM 361 CB ARG A 23 0.963 -7.834 2.625 1.00 43.11 C ATOM 362 CG ARG A 23 0.455 -8.426 3.938 1.00 70.42 C ATOM 363 CD ARG A 23 0.552 -9.951 3.940 1.00 74.42 C ATOM 364 NE ARG A 23 -0.060 -10.542 5.128 1.00 33.04 N ATOM 365 CZ ARG A 23 -0.245 -11.823 5.303 1.00 64.21 C ATOM 366 NH1 ARG A 23 0.212 -12.682 4.449 1.00 13.43 N ATOM 367 NH2 ARG A 23 -0.855 -12.241 6.362 1.00 13.05 N ATOM 0 H ARG A 23 1.476 -6.646 0.549 1.00 22.15 H new ATOM 0 HA ARG A 23 -0.134 -5.969 2.728 1.00 44.34 H new ATOM 0 HB2 ARG A 23 0.387 -8.260 1.804 1.00 43.11 H new ATOM 0 HB3 ARG A 23 1.999 -8.141 2.481 1.00 43.11 H new ATOM 0 HG2 ARG A 23 1.034 -8.023 4.768 1.00 70.42 H new ATOM 0 HG3 ARG A 23 -0.581 -8.126 4.097 1.00 70.42 H new ATOM 0 HD2 ARG A 23 0.065 -10.345 3.048 1.00 74.42 H new ATOM 0 HD3 ARG A 23 1.600 -10.247 3.888 1.00 74.42 H new ATOM 0 HE ARG A 23 -0.363 -9.912 5.871 1.00 33.04 H new ATOM 0 HH11 ARG A 23 0.724 -12.361 3.627 1.00 13.43 H new ATOM 0 HH12 ARG A 23 0.060 -13.680 4.598 1.00 13.43 H new ATOM 0 HH21 ARG A 23 -1.189 -11.572 7.056 1.00 13.05 H new ATOM 0 HH22 ARG A 23 -1.003 -13.240 6.505 1.00 13.05 H new ATOM 381 N ASN A 24 3.075 -5.516 3.282 1.00 21.12 N ATOM 382 CA ASN A 24 4.050 -4.888 4.181 1.00 4.43 C ATOM 383 C ASN A 24 3.956 -3.351 4.081 1.00 74.12 C ATOM 384 O ASN A 24 4.174 -2.637 5.057 1.00 31.24 O ATOM 385 CB ASN A 24 5.469 -5.371 3.814 1.00 45.02 C ATOM 386 CG ASN A 24 6.504 -5.201 4.927 1.00 73.25 C ATOM 387 OD1 ASN A 24 7.430 -5.998 5.040 1.00 74.35 O ATOM 388 ND2 ASN A 24 6.381 -4.173 5.744 1.00 64.01 N ATOM 0 H ASN A 24 3.469 -5.827 2.394 1.00 21.12 H new ATOM 0 HA ASN A 24 3.832 -5.175 5.210 1.00 4.43 H new ATOM 0 HB2 ASN A 24 5.421 -6.424 3.538 1.00 45.02 H new ATOM 0 HB3 ASN A 24 5.808 -4.826 2.933 1.00 45.02 H new ATOM 0 HD21 ASN A 24 7.064 -4.028 6.488 1.00 64.01 H new ATOM 0 HD22 ASN A 24 5.603 -3.523 5.632 1.00 64.01 H new ATOM 395 N ALA A 25 3.605 -2.854 2.896 1.00 3.52 N ATOM 396 CA ALA A 25 3.515 -1.407 2.651 1.00 62.14 C ATOM 397 C ALA A 25 2.469 -0.723 3.548 1.00 24.34 C ATOM 398 O ALA A 25 2.718 0.350 4.097 1.00 62.22 O ATOM 399 CB ALA A 25 3.205 -1.139 1.183 1.00 65.33 C ATOM 0 H ALA A 25 3.377 -3.430 2.086 1.00 3.52 H new ATOM 0 HA ALA A 25 4.485 -0.978 2.903 1.00 62.14 H new ATOM 0 HB1 ALA A 25 3.141 -0.064 1.015 1.00 65.33 H new ATOM 0 HB2 ALA A 25 3.997 -1.557 0.562 1.00 65.33 H new ATOM 0 HB3 ALA A 25 2.255 -1.604 0.921 1.00 65.33 H new ATOM 405 N LEU A 26 1.304 -1.351 3.708 1.00 2.52 N ATOM 406 CA LEU A 26 0.208 -0.768 4.503 1.00 12.01 C ATOM 407 C LEU A 26 0.291 -1.157 5.993 1.00 25.33 C ATOM 408 O LEU A 26 -0.508 -0.687 6.807 1.00 43.32 O ATOM 409 CB LEU A 26 -1.146 -1.220 3.936 1.00 75.44 C ATOM 410 CG LEU A 26 -1.396 -0.863 2.462 1.00 33.22 C ATOM 411 CD1 LEU A 26 -2.738 -1.422 1.992 1.00 20.22 C ATOM 412 CD2 LEU A 26 -1.338 0.652 2.254 1.00 3.34 C ATOM 0 H LEU A 26 1.089 -2.261 3.301 1.00 2.52 H new ATOM 0 HA LEU A 26 0.305 0.316 4.437 1.00 12.01 H new ATOM 0 HB2 LEU A 26 -1.225 -2.301 4.049 1.00 75.44 H new ATOM 0 HB3 LEU A 26 -1.939 -0.778 4.539 1.00 75.44 H new ATOM 0 HG LEU A 26 -0.608 -1.319 1.863 1.00 33.22 H new ATOM 0 HD11 LEU A 26 -2.896 -1.158 0.946 1.00 20.22 H new ATOM 0 HD12 LEU A 26 -2.737 -2.507 2.096 1.00 20.22 H new ATOM 0 HD13 LEU A 26 -3.540 -1.000 2.598 1.00 20.22 H new ATOM 0 HD21 LEU A 26 -1.518 0.882 1.204 1.00 3.34 H new ATOM 0 HD22 LEU A 26 -2.101 1.133 2.867 1.00 3.34 H new ATOM 0 HD23 LEU A 26 -0.354 1.022 2.543 1.00 3.34 H new ATOM 424 N LYS A 27 1.268 -1.998 6.337 1.00 10.22 N ATOM 425 CA LYS A 27 1.394 -2.565 7.692 1.00 51.30 C ATOM 426 C LYS A 27 1.370 -1.474 8.785 1.00 44.21 C ATOM 427 O LYS A 27 0.527 -1.501 9.684 1.00 13.01 O ATOM 428 CB LYS A 27 2.690 -3.395 7.780 1.00 24.33 C ATOM 429 CG LYS A 27 2.639 -4.577 8.753 1.00 22.14 C ATOM 430 CD LYS A 27 2.683 -4.154 10.223 1.00 51.21 C ATOM 431 CE LYS A 27 2.671 -5.369 11.150 1.00 54.40 C ATOM 432 NZ LYS A 27 2.819 -4.995 12.582 1.00 24.13 N ATOM 0 H LYS A 27 1.994 -2.308 5.691 1.00 10.22 H new ATOM 0 HA LYS A 27 0.533 -3.208 7.872 1.00 51.30 H new ATOM 0 HB2 LYS A 27 2.930 -3.773 6.786 1.00 24.33 H new ATOM 0 HB3 LYS A 27 3.506 -2.736 8.076 1.00 24.33 H new ATOM 0 HG2 LYS A 27 1.728 -5.147 8.573 1.00 22.14 H new ATOM 0 HG3 LYS A 27 3.477 -5.243 8.549 1.00 22.14 H new ATOM 0 HD2 LYS A 27 3.580 -3.562 10.407 1.00 51.21 H new ATOM 0 HD3 LYS A 27 1.828 -3.515 10.446 1.00 51.21 H new ATOM 0 HE2 LYS A 27 1.738 -5.915 11.015 1.00 54.40 H new ATOM 0 HE3 LYS A 27 3.479 -6.044 10.869 1.00 54.40 H new ATOM 0 HZ1 LYS A 27 2.805 -5.854 13.168 1.00 24.13 H new ATOM 0 HZ2 LYS A 27 3.722 -4.497 12.719 1.00 24.13 H new ATOM 0 HZ3 LYS A 27 2.034 -4.372 12.861 1.00 24.13 H new ATOM 446 N ASP A 28 2.292 -0.517 8.703 1.00 22.52 N ATOM 447 CA ASP A 28 2.356 0.575 9.683 1.00 23.12 C ATOM 448 C ASP A 28 1.189 1.566 9.543 1.00 63.20 C ATOM 449 O ASP A 28 0.742 2.144 10.537 1.00 71.13 O ATOM 450 CB ASP A 28 3.686 1.324 9.570 1.00 41.12 C ATOM 451 CG ASP A 28 4.801 0.625 10.325 1.00 2.23 C ATOM 452 OD1 ASP A 28 4.792 0.682 11.572 1.00 12.44 O ATOM 453 OD2 ASP A 28 5.688 0.023 9.686 1.00 51.53 O ATOM 0 H ASP A 28 3.003 -0.472 7.974 1.00 22.52 H new ATOM 0 HA ASP A 28 2.278 0.113 10.667 1.00 23.12 H new ATOM 0 HB2 ASP A 28 3.962 1.415 8.519 1.00 41.12 H new ATOM 0 HB3 ASP A 28 3.566 2.336 9.957 1.00 41.12 H new ATOM 458 N LEU A 29 0.705 1.771 8.323 1.00 3.34 N ATOM 459 CA LEU A 29 -0.401 2.713 8.079 1.00 23.13 C ATOM 460 C LEU A 29 -1.692 2.252 8.776 1.00 55.53 C ATOM 461 O LEU A 29 -2.483 3.070 9.254 1.00 35.40 O ATOM 462 CB LEU A 29 -0.647 2.891 6.568 1.00 61.32 C ATOM 463 CG LEU A 29 0.434 3.679 5.799 1.00 60.01 C ATOM 464 CD1 LEU A 29 0.641 5.061 6.420 1.00 63.23 C ATOM 465 CD2 LEU A 29 1.751 2.905 5.741 1.00 73.41 C ATOM 0 H LEU A 29 1.054 1.304 7.486 1.00 3.34 H new ATOM 0 HA LEU A 29 -0.111 3.675 8.501 1.00 23.13 H new ATOM 0 HB2 LEU A 29 -0.741 1.904 6.116 1.00 61.32 H new ATOM 0 HB3 LEU A 29 -1.603 3.396 6.432 1.00 61.32 H new ATOM 0 HG LEU A 29 0.084 3.813 4.775 1.00 60.01 H new ATOM 0 HD11 LEU A 29 1.407 5.599 5.862 1.00 63.23 H new ATOM 0 HD12 LEU A 29 -0.294 5.620 6.384 1.00 63.23 H new ATOM 0 HD13 LEU A 29 0.958 4.950 7.457 1.00 63.23 H new ATOM 0 HD21 LEU A 29 2.491 3.487 5.193 1.00 73.41 H new ATOM 0 HD22 LEU A 29 2.111 2.722 6.754 1.00 73.41 H new ATOM 0 HD23 LEU A 29 1.591 1.953 5.235 1.00 73.41 H new ATOM 477 N LEU A 30 -1.877 0.935 8.851 1.00 42.11 N ATOM 478 CA LEU A 30 -3.057 0.333 9.485 1.00 0.51 C ATOM 479 C LEU A 30 -3.169 0.705 10.979 1.00 61.12 C ATOM 480 O LEU A 30 -4.261 0.673 11.549 1.00 3.41 O ATOM 481 CB LEU A 30 -3.001 -1.195 9.321 1.00 34.41 C ATOM 482 CG LEU A 30 -4.228 -1.971 9.836 1.00 33.01 C ATOM 483 CD1 LEU A 30 -5.494 -1.548 9.090 1.00 35.54 C ATOM 484 CD2 LEU A 30 -4.003 -3.478 9.711 1.00 12.12 C ATOM 0 H LEU A 30 -1.217 0.254 8.476 1.00 42.11 H new ATOM 0 HA LEU A 30 -3.943 0.729 8.989 1.00 0.51 H new ATOM 0 HB2 LEU A 30 -2.868 -1.423 8.263 1.00 34.41 H new ATOM 0 HB3 LEU A 30 -2.117 -1.565 9.840 1.00 34.41 H new ATOM 0 HG LEU A 30 -4.363 -1.731 10.891 1.00 33.01 H new ATOM 0 HD11 LEU A 30 -6.346 -2.110 9.472 1.00 35.54 H new ATOM 0 HD12 LEU A 30 -5.666 -0.482 9.240 1.00 35.54 H new ATOM 0 HD13 LEU A 30 -5.374 -1.750 8.026 1.00 35.54 H new ATOM 0 HD21 LEU A 30 -4.881 -4.009 10.080 1.00 12.12 H new ATOM 0 HD22 LEU A 30 -3.836 -3.735 8.665 1.00 12.12 H new ATOM 0 HD23 LEU A 30 -3.131 -3.766 10.299 1.00 12.12 H new ATOM 496 N LYS A 31 -2.040 1.060 11.605 1.00 53.44 N ATOM 497 CA LYS A 31 -2.026 1.428 13.032 1.00 35.31 C ATOM 498 C LYS A 31 -2.898 2.667 13.300 1.00 73.11 C ATOM 499 O LYS A 31 -3.653 2.710 14.273 1.00 3.22 O ATOM 500 CB LYS A 31 -0.594 1.706 13.522 1.00 53.01 C ATOM 501 CG LYS A 31 0.405 0.585 13.238 1.00 42.21 C ATOM 502 CD LYS A 31 1.697 0.744 14.050 1.00 1.42 C ATOM 503 CE LYS A 31 2.315 2.136 13.911 1.00 54.32 C ATOM 504 NZ LYS A 31 2.758 2.428 12.521 1.00 52.54 N ATOM 0 H LYS A 31 -1.127 1.101 11.151 1.00 53.44 H new ATOM 0 HA LYS A 31 -2.435 0.579 13.580 1.00 35.31 H new ATOM 0 HB2 LYS A 31 -0.235 2.622 13.053 1.00 53.01 H new ATOM 0 HB3 LYS A 31 -0.621 1.887 14.596 1.00 53.01 H new ATOM 0 HG2 LYS A 31 -0.053 -0.376 13.471 1.00 42.21 H new ATOM 0 HG3 LYS A 31 0.645 0.574 12.175 1.00 42.21 H new ATOM 0 HD2 LYS A 31 1.487 0.548 15.101 1.00 1.42 H new ATOM 0 HD3 LYS A 31 2.420 -0.004 13.725 1.00 1.42 H new ATOM 0 HE2 LYS A 31 1.587 2.886 14.222 1.00 54.32 H new ATOM 0 HE3 LYS A 31 3.167 2.220 14.585 1.00 54.32 H new ATOM 0 HZ1 LYS A 31 3.107 3.406 12.466 1.00 52.54 H new ATOM 0 HZ2 LYS A 31 3.521 1.773 12.255 1.00 52.54 H new ATOM 0 HZ3 LYS A 31 1.957 2.309 11.869 1.00 52.54 H new ATOM 518 N ASP A 32 -2.788 3.673 12.434 1.00 24.14 N ATOM 519 CA ASP A 32 -3.544 4.920 12.593 1.00 20.34 C ATOM 520 C ASP A 32 -4.927 4.820 11.937 1.00 34.51 C ATOM 521 O ASP A 32 -5.949 4.721 12.620 1.00 23.33 O ATOM 522 CB ASP A 32 -2.762 6.091 11.994 1.00 10.44 C ATOM 523 CG ASP A 32 -1.410 6.266 12.655 1.00 72.42 C ATOM 524 OD1 ASP A 32 -1.367 6.748 13.805 1.00 31.20 O ATOM 525 OD2 ASP A 32 -0.385 5.914 12.037 1.00 71.44 O ATOM 0 H ASP A 32 -2.183 3.651 11.613 1.00 24.14 H new ATOM 0 HA ASP A 32 -3.688 5.093 13.660 1.00 20.34 H new ATOM 0 HB2 ASP A 32 -2.625 5.927 10.925 1.00 10.44 H new ATOM 0 HB3 ASP A 32 -3.341 7.008 12.104 1.00 10.44 H new ATOM 530 N MET A 33 -4.951 4.837 10.607 1.00 13.21 N ATOM 531 CA MET A 33 -6.202 4.754 9.855 1.00 42.34 C ATOM 532 C MET A 33 -6.480 3.312 9.406 1.00 24.31 C ATOM 533 O MET A 33 -5.769 2.755 8.570 1.00 73.40 O ATOM 534 CB MET A 33 -6.169 5.711 8.649 1.00 70.31 C ATOM 535 CG MET A 33 -4.978 5.520 7.709 1.00 1.24 C ATOM 536 SD MET A 33 -4.979 6.701 6.340 1.00 22.30 S ATOM 537 CE MET A 33 -6.527 6.289 5.535 1.00 40.42 C ATOM 0 H MET A 33 -4.116 4.908 10.025 1.00 13.21 H new ATOM 0 HA MET A 33 -7.017 5.059 10.512 1.00 42.34 H new ATOM 0 HB2 MET A 33 -7.088 5.584 8.078 1.00 70.31 H new ATOM 0 HB3 MET A 33 -6.162 6.737 9.018 1.00 70.31 H new ATOM 0 HG2 MET A 33 -4.052 5.626 8.275 1.00 1.24 H new ATOM 0 HG3 MET A 33 -4.994 4.506 7.310 1.00 1.24 H new ATOM 0 HE1 MET A 33 -6.395 6.324 4.454 1.00 40.42 H new ATOM 0 HE2 MET A 33 -6.835 5.286 5.830 1.00 40.42 H new ATOM 0 HE3 MET A 33 -7.293 7.006 5.831 1.00 40.42 H new ATOM 547 N ASN A 34 -7.517 2.705 9.978 1.00 51.35 N ATOM 548 CA ASN A 34 -7.880 1.323 9.650 1.00 53.43 C ATOM 549 C ASN A 34 -8.458 1.214 8.230 1.00 43.14 C ATOM 550 O ASN A 34 -8.624 2.218 7.533 1.00 22.44 O ATOM 551 CB ASN A 34 -8.876 0.781 10.680 1.00 42.42 C ATOM 552 CG ASN A 34 -8.332 0.819 12.102 1.00 75.13 C ATOM 553 OD1 ASN A 34 -9.084 0.973 13.055 1.00 5.51 O ATOM 554 ND2 ASN A 34 -7.025 0.680 12.266 1.00 34.31 N ATOM 0 H ASN A 34 -8.122 3.146 10.671 1.00 51.35 H new ATOM 0 HA ASN A 34 -6.973 0.720 9.682 1.00 53.43 H new ATOM 0 HB2 ASN A 34 -9.796 1.364 10.632 1.00 42.42 H new ATOM 0 HB3 ASN A 34 -9.136 -0.246 10.422 1.00 42.42 H new ATOM 0 HD21 ASN A 34 -6.624 0.700 13.204 1.00 34.31 H new ATOM 0 HD22 ASN A 34 -6.420 0.553 11.455 1.00 34.31 H new ATOM 561 N GLN A 35 -8.786 -0.008 7.813 1.00 52.42 N ATOM 562 CA GLN A 35 -9.209 -0.272 6.433 1.00 61.05 C ATOM 563 C GLN A 35 -10.507 0.472 6.076 1.00 60.33 C ATOM 564 O GLN A 35 -10.679 0.921 4.944 1.00 41.35 O ATOM 565 CB GLN A 35 -9.373 -1.780 6.216 1.00 45.20 C ATOM 566 CG GLN A 35 -8.108 -2.570 6.540 1.00 30.13 C ATOM 567 CD GLN A 35 -8.250 -4.063 6.298 1.00 21.23 C ATOM 568 OE1 GLN A 35 -9.333 -4.620 6.397 1.00 23.01 O ATOM 569 NE2 GLN A 35 -7.151 -4.723 5.998 1.00 64.54 N ATOM 0 H GLN A 35 -8.768 -0.834 8.410 1.00 52.42 H new ATOM 0 HA GLN A 35 -8.432 0.104 5.768 1.00 61.05 H new ATOM 0 HB2 GLN A 35 -10.191 -2.144 6.837 1.00 45.20 H new ATOM 0 HB3 GLN A 35 -9.654 -1.964 5.179 1.00 45.20 H new ATOM 0 HG2 GLN A 35 -7.285 -2.188 5.935 1.00 30.13 H new ATOM 0 HG3 GLN A 35 -7.841 -2.402 7.583 1.00 30.13 H new ATOM 0 HE21 GLN A 35 -6.263 -4.227 5.923 1.00 64.54 H new ATOM 0 HE22 GLN A 35 -7.188 -5.730 5.840 1.00 64.54 H new ATOM 578 N SER A 36 -11.407 0.609 7.048 1.00 54.30 N ATOM 579 CA SER A 36 -12.643 1.388 6.861 1.00 62.13 C ATOM 580 C SER A 36 -12.325 2.846 6.501 1.00 70.12 C ATOM 581 O SER A 36 -13.051 3.488 5.740 1.00 4.42 O ATOM 582 CB SER A 36 -13.506 1.340 8.131 1.00 34.33 C ATOM 583 OG SER A 36 -14.695 2.106 7.987 1.00 4.44 O ATOM 0 H SER A 36 -11.309 0.194 7.974 1.00 54.30 H new ATOM 0 HA SER A 36 -13.199 0.941 6.036 1.00 62.13 H new ATOM 0 HB2 SER A 36 -13.765 0.305 8.357 1.00 34.33 H new ATOM 0 HB3 SER A 36 -12.931 1.716 8.977 1.00 34.33 H new ATOM 0 HG SER A 36 -15.221 2.052 8.812 1.00 4.44 H new ATOM 589 N SER A 37 -11.228 3.361 7.051 1.00 23.30 N ATOM 590 CA SER A 37 -10.766 4.720 6.743 1.00 11.30 C ATOM 591 C SER A 37 -9.953 4.742 5.442 1.00 63.44 C ATOM 592 O SER A 37 -10.011 5.701 4.672 1.00 61.03 O ATOM 593 CB SER A 37 -9.906 5.261 7.894 1.00 41.33 C ATOM 594 OG SER A 37 -10.568 5.129 9.143 1.00 60.35 O ATOM 0 H SER A 37 -10.638 2.859 7.715 1.00 23.30 H new ATOM 0 HA SER A 37 -11.644 5.353 6.617 1.00 11.30 H new ATOM 0 HB2 SER A 37 -8.958 4.724 7.925 1.00 41.33 H new ATOM 0 HB3 SER A 37 -9.673 6.310 7.714 1.00 41.33 H new ATOM 0 HG SER A 37 -9.995 5.480 9.856 1.00 60.35 H new ATOM 600 N LEU A 38 -9.191 3.673 5.211 1.00 13.41 N ATOM 601 CA LEU A 38 -8.348 3.544 4.014 1.00 14.21 C ATOM 602 C LEU A 38 -9.213 3.445 2.740 1.00 73.32 C ATOM 603 O LEU A 38 -8.866 3.990 1.691 1.00 4.24 O ATOM 604 CB LEU A 38 -7.433 2.305 4.173 1.00 74.51 C ATOM 605 CG LEU A 38 -6.215 2.199 3.226 1.00 34.32 C ATOM 606 CD1 LEU A 38 -6.627 1.795 1.812 1.00 72.40 C ATOM 607 CD2 LEU A 38 -5.433 3.510 3.203 1.00 3.31 C ATOM 0 H LEU A 38 -9.138 2.874 5.842 1.00 13.41 H new ATOM 0 HA LEU A 38 -7.726 4.433 3.909 1.00 14.21 H new ATOM 0 HB2 LEU A 38 -7.066 2.286 5.199 1.00 74.51 H new ATOM 0 HB3 LEU A 38 -8.045 1.413 4.037 1.00 74.51 H new ATOM 0 HG LEU A 38 -5.568 1.413 3.616 1.00 34.32 H new ATOM 0 HD11 LEU A 38 -5.742 1.732 1.179 1.00 72.40 H new ATOM 0 HD12 LEU A 38 -7.122 0.825 1.841 1.00 72.40 H new ATOM 0 HD13 LEU A 38 -7.311 2.540 1.406 1.00 72.40 H new ATOM 0 HD21 LEU A 38 -4.580 3.413 2.531 1.00 3.31 H new ATOM 0 HD22 LEU A 38 -6.081 4.314 2.854 1.00 3.31 H new ATOM 0 HD23 LEU A 38 -5.078 3.740 4.208 1.00 3.31 H new ATOM 619 N ALA A 39 -10.361 2.776 2.853 1.00 44.13 N ATOM 620 CA ALA A 39 -11.269 2.573 1.713 1.00 41.13 C ATOM 621 C ALA A 39 -12.020 3.859 1.311 1.00 12.12 C ATOM 622 O ALA A 39 -12.965 3.810 0.521 1.00 3.03 O ATOM 623 CB ALA A 39 -12.259 1.453 2.031 1.00 1.41 C ATOM 0 H ALA A 39 -10.689 2.362 3.725 1.00 44.13 H new ATOM 0 HA ALA A 39 -10.656 2.290 0.857 1.00 41.13 H new ATOM 0 HB1 ALA A 39 -12.928 1.308 1.183 1.00 1.41 H new ATOM 0 HB2 ALA A 39 -11.714 0.530 2.225 1.00 1.41 H new ATOM 0 HB3 ALA A 39 -12.842 1.722 2.912 1.00 1.41 H new ATOM 629 N LYS A 40 -11.596 5.009 1.842 1.00 33.22 N ATOM 630 CA LYS A 40 -12.200 6.294 1.473 1.00 30.12 C ATOM 631 C LYS A 40 -11.744 6.732 0.072 1.00 32.51 C ATOM 632 O LYS A 40 -12.532 6.728 -0.877 1.00 52.13 O ATOM 633 CB LYS A 40 -11.857 7.371 2.513 1.00 42.34 C ATOM 634 CG LYS A 40 -12.450 8.743 2.193 1.00 15.04 C ATOM 635 CD LYS A 40 -12.319 9.715 3.363 1.00 73.12 C ATOM 636 CE LYS A 40 -13.085 9.226 4.591 1.00 54.21 C ATOM 637 NZ LYS A 40 -14.521 8.970 4.288 1.00 21.14 N ATOM 0 H LYS A 40 -10.841 5.078 2.525 1.00 33.22 H new ATOM 0 HA LYS A 40 -13.282 6.166 1.453 1.00 30.12 H new ATOM 0 HB2 LYS A 40 -12.217 7.048 3.490 1.00 42.34 H new ATOM 0 HB3 LYS A 40 -10.773 7.461 2.586 1.00 42.34 H new ATOM 0 HG2 LYS A 40 -11.948 9.159 1.319 1.00 15.04 H new ATOM 0 HG3 LYS A 40 -13.502 8.630 1.933 1.00 15.04 H new ATOM 0 HD2 LYS A 40 -11.266 9.840 3.616 1.00 73.12 H new ATOM 0 HD3 LYS A 40 -12.694 10.695 3.066 1.00 73.12 H new ATOM 0 HE2 LYS A 40 -12.625 8.311 4.965 1.00 54.21 H new ATOM 0 HE3 LYS A 40 -13.009 9.969 5.385 1.00 54.21 H new ATOM 0 HZ1 LYS A 40 -15.048 8.856 5.177 1.00 21.14 H new ATOM 0 HZ2 LYS A 40 -14.912 9.773 3.755 1.00 21.14 H new ATOM 0 HZ3 LYS A 40 -14.607 8.103 3.721 1.00 21.14 H new ATOM 651 N GLU A 41 -10.469 7.102 -0.059 1.00 24.24 N ATOM 652 CA GLU A 41 -9.911 7.476 -1.366 1.00 45.51 C ATOM 653 C GLU A 41 -9.424 6.245 -2.150 1.00 62.22 C ATOM 654 O GLU A 41 -9.116 6.340 -3.340 1.00 53.33 O ATOM 655 CB GLU A 41 -8.760 8.490 -1.214 1.00 54.34 C ATOM 656 CG GLU A 41 -7.619 8.028 -0.307 1.00 23.42 C ATOM 657 CD GLU A 41 -7.746 8.532 1.121 1.00 61.05 C ATOM 658 OE1 GLU A 41 -8.475 7.908 1.920 1.00 42.30 O ATOM 659 OE2 GLU A 41 -7.120 9.565 1.443 1.00 72.44 O ATOM 0 H GLU A 41 -9.806 7.152 0.714 1.00 24.24 H new ATOM 0 HA GLU A 41 -10.717 7.944 -1.930 1.00 45.51 H new ATOM 0 HB2 GLU A 41 -8.355 8.710 -2.202 1.00 54.34 H new ATOM 0 HB3 GLU A 41 -9.165 9.422 -0.820 1.00 54.34 H new ATOM 0 HG2 GLU A 41 -7.588 6.938 -0.299 1.00 23.42 H new ATOM 0 HG3 GLU A 41 -6.672 8.371 -0.723 1.00 23.42 H new ATOM 666 N CYS A 42 -9.357 5.090 -1.484 1.00 15.44 N ATOM 667 CA CYS A 42 -8.939 3.842 -2.141 1.00 73.43 C ATOM 668 C CYS A 42 -10.066 3.253 -3.001 1.00 55.31 C ATOM 669 O CYS A 42 -11.217 3.189 -2.567 1.00 54.11 O ATOM 670 CB CYS A 42 -8.503 2.802 -1.105 1.00 11.02 C ATOM 671 SG CYS A 42 -8.069 1.195 -1.814 1.00 34.13 S ATOM 0 H CYS A 42 -9.585 4.989 -0.495 1.00 15.44 H new ATOM 0 HA CYS A 42 -8.097 4.088 -2.787 1.00 73.43 H new ATOM 0 HB2 CYS A 42 -7.645 3.189 -0.556 1.00 11.02 H new ATOM 0 HB3 CYS A 42 -9.308 2.664 -0.383 1.00 11.02 H new ATOM 0 HG CYS A 42 -6.784 1.137 -2.004 1.00 34.13 H new ATOM 677 N PRO A 43 -9.750 2.806 -4.233 1.00 0.11 N ATOM 678 CA PRO A 43 -10.750 2.228 -5.150 1.00 13.02 C ATOM 679 C PRO A 43 -11.140 0.777 -4.802 1.00 34.34 C ATOM 680 O PRO A 43 -12.039 0.201 -5.423 1.00 12.51 O ATOM 681 CB PRO A 43 -10.036 2.284 -6.505 1.00 33.20 C ATOM 682 CG PRO A 43 -8.590 2.140 -6.164 1.00 50.34 C ATOM 683 CD PRO A 43 -8.401 2.839 -4.841 1.00 12.44 C ATOM 0 HA PRO A 43 -11.694 2.771 -5.111 1.00 13.02 H new ATOM 0 HB2 PRO A 43 -10.371 1.484 -7.165 1.00 33.20 H new ATOM 0 HB3 PRO A 43 -10.232 3.225 -7.020 1.00 33.20 H new ATOM 0 HG2 PRO A 43 -8.309 1.089 -6.093 1.00 50.34 H new ATOM 0 HG3 PRO A 43 -7.961 2.587 -6.934 1.00 50.34 H new ATOM 0 HD2 PRO A 43 -7.668 2.326 -4.218 1.00 12.44 H new ATOM 0 HD3 PRO A 43 -8.047 3.861 -4.975 1.00 12.44 H new ATOM 691 N LEU A 44 -10.463 0.188 -3.815 1.00 61.43 N ATOM 692 CA LEU A 44 -10.733 -1.198 -3.406 1.00 63.31 C ATOM 693 C LEU A 44 -11.670 -1.255 -2.186 1.00 13.34 C ATOM 694 O LEU A 44 -12.034 -0.226 -1.618 1.00 35.14 O ATOM 695 CB LEU A 44 -9.414 -1.925 -3.092 1.00 44.14 C ATOM 696 CG LEU A 44 -8.375 -1.935 -4.230 1.00 25.13 C ATOM 697 CD1 LEU A 44 -7.146 -2.753 -3.833 1.00 5.42 C ATOM 698 CD2 LEU A 44 -8.987 -2.472 -5.523 1.00 74.10 C ATOM 0 H LEU A 44 -9.723 0.646 -3.282 1.00 61.43 H new ATOM 0 HA LEU A 44 -11.232 -1.698 -4.236 1.00 63.31 H new ATOM 0 HB2 LEU A 44 -8.963 -1.460 -2.216 1.00 44.14 H new ATOM 0 HB3 LEU A 44 -9.643 -2.956 -2.823 1.00 44.14 H new ATOM 0 HG LEU A 44 -8.059 -0.907 -4.407 1.00 25.13 H new ATOM 0 HD11 LEU A 44 -6.425 -2.747 -4.651 1.00 5.42 H new ATOM 0 HD12 LEU A 44 -6.690 -2.317 -2.944 1.00 5.42 H new ATOM 0 HD13 LEU A 44 -7.445 -3.779 -3.621 1.00 5.42 H new ATOM 0 HD21 LEU A 44 -8.234 -2.469 -6.311 1.00 74.10 H new ATOM 0 HD22 LEU A 44 -9.340 -3.491 -5.363 1.00 74.10 H new ATOM 0 HD23 LEU A 44 -9.824 -1.840 -5.819 1.00 74.10 H new ATOM 710 N SER A 45 -12.056 -2.466 -1.787 1.00 1.11 N ATOM 711 CA SER A 45 -12.964 -2.656 -0.644 1.00 70.05 C ATOM 712 C SER A 45 -12.241 -3.263 0.571 1.00 2.53 C ATOM 713 O SER A 45 -11.172 -3.868 0.438 1.00 42.31 O ATOM 714 CB SER A 45 -14.140 -3.555 -1.042 1.00 44.13 C ATOM 715 OG SER A 45 -14.982 -3.823 0.068 1.00 61.43 O ATOM 0 H SER A 45 -11.758 -3.333 -2.234 1.00 1.11 H new ATOM 0 HA SER A 45 -13.333 -1.671 -0.359 1.00 70.05 H new ATOM 0 HB2 SER A 45 -14.717 -3.074 -1.832 1.00 44.13 H new ATOM 0 HB3 SER A 45 -13.762 -4.493 -1.450 1.00 44.13 H new ATOM 0 HG SER A 45 -15.724 -4.397 -0.215 1.00 61.43 H new ATOM 721 N GLN A 46 -12.841 -3.114 1.753 1.00 72.02 N ATOM 722 CA GLN A 46 -12.248 -3.612 3.004 1.00 50.04 C ATOM 723 C GLN A 46 -12.149 -5.148 3.021 1.00 3.15 C ATOM 724 O GLN A 46 -11.114 -5.705 3.391 1.00 53.02 O ATOM 725 CB GLN A 46 -13.062 -3.117 4.209 1.00 22.43 C ATOM 726 CG GLN A 46 -12.575 -3.658 5.550 1.00 30.34 C ATOM 727 CD GLN A 46 -13.295 -3.041 6.738 1.00 72.24 C ATOM 728 OE1 GLN A 46 -12.858 -2.039 7.293 1.00 50.24 O ATOM 729 NE2 GLN A 46 -14.405 -3.630 7.134 1.00 33.33 N ATOM 0 H GLN A 46 -13.742 -2.651 1.875 1.00 72.02 H new ATOM 0 HA GLN A 46 -11.234 -3.218 3.068 1.00 50.04 H new ATOM 0 HB2 GLN A 46 -13.029 -2.028 4.234 1.00 22.43 H new ATOM 0 HB3 GLN A 46 -14.105 -3.401 4.071 1.00 22.43 H new ATOM 0 HG2 GLN A 46 -12.713 -4.739 5.571 1.00 30.34 H new ATOM 0 HG3 GLN A 46 -11.505 -3.471 5.644 1.00 30.34 H new ATOM 0 HE21 GLN A 46 -14.741 -4.463 6.650 1.00 33.33 H new ATOM 0 HE22 GLN A 46 -14.928 -3.253 7.924 1.00 33.33 H new ATOM 738 N SER A 47 -13.219 -5.828 2.601 1.00 30.43 N ATOM 739 CA SER A 47 -13.236 -7.304 2.554 1.00 43.24 C ATOM 740 C SER A 47 -12.136 -7.856 1.631 1.00 4.01 C ATOM 741 O SER A 47 -11.800 -9.039 1.683 1.00 74.04 O ATOM 742 CB SER A 47 -14.607 -7.825 2.092 1.00 75.11 C ATOM 743 OG SER A 47 -15.634 -7.470 3.006 1.00 61.44 O ATOM 0 H SER A 47 -14.085 -5.388 2.288 1.00 30.43 H new ATOM 0 HA SER A 47 -13.043 -7.656 3.567 1.00 43.24 H new ATOM 0 HB2 SER A 47 -14.839 -7.419 1.107 1.00 75.11 H new ATOM 0 HB3 SER A 47 -14.569 -8.909 1.989 1.00 75.11 H new ATOM 0 HG SER A 47 -16.493 -7.814 2.683 1.00 61.44 H new ATOM 749 N MET A 48 -11.585 -6.992 0.779 1.00 1.21 N ATOM 750 CA MET A 48 -10.459 -7.364 -0.081 1.00 23.13 C ATOM 751 C MET A 48 -9.139 -7.309 0.704 1.00 64.24 C ATOM 752 O MET A 48 -8.465 -8.322 0.888 1.00 32.00 O ATOM 753 CB MET A 48 -10.378 -6.417 -1.288 1.00 0.34 C ATOM 754 CG MET A 48 -11.657 -6.350 -2.112 1.00 21.04 C ATOM 755 SD MET A 48 -11.559 -5.136 -3.444 1.00 1.21 S ATOM 756 CE MET A 48 -10.247 -5.829 -4.449 1.00 15.04 C ATOM 0 H MET A 48 -11.900 -6.028 0.665 1.00 1.21 H new ATOM 0 HA MET A 48 -10.620 -8.383 -0.432 1.00 23.13 H new ATOM 0 HB2 MET A 48 -10.133 -5.415 -0.935 1.00 0.34 H new ATOM 0 HB3 MET A 48 -9.559 -6.737 -1.933 1.00 0.34 H new ATOM 0 HG2 MET A 48 -11.864 -7.333 -2.535 1.00 21.04 H new ATOM 0 HG3 MET A 48 -12.493 -6.101 -1.459 1.00 21.04 H new ATOM 0 HE1 MET A 48 -10.407 -5.559 -5.493 1.00 15.04 H new ATOM 0 HE2 MET A 48 -9.287 -5.436 -4.115 1.00 15.04 H new ATOM 0 HE3 MET A 48 -10.248 -6.915 -4.351 1.00 15.04 H new ATOM 766 N ILE A 49 -8.795 -6.112 1.182 1.00 4.11 N ATOM 767 CA ILE A 49 -7.533 -5.885 1.899 1.00 2.40 C ATOM 768 C ILE A 49 -7.434 -6.738 3.179 1.00 42.21 C ATOM 769 O ILE A 49 -6.368 -7.261 3.508 1.00 72.35 O ATOM 770 CB ILE A 49 -7.365 -4.387 2.265 1.00 42.22 C ATOM 771 CG1 ILE A 49 -7.494 -3.508 1.006 1.00 73.51 C ATOM 772 CG2 ILE A 49 -6.020 -4.143 2.950 1.00 64.23 C ATOM 773 CD1 ILE A 49 -7.388 -2.018 1.276 1.00 41.24 C ATOM 0 H ILE A 49 -9.375 -5.278 1.086 1.00 4.11 H new ATOM 0 HA ILE A 49 -6.732 -6.186 1.224 1.00 2.40 H new ATOM 0 HB ILE A 49 -8.158 -4.115 2.962 1.00 42.22 H new ATOM 0 HG12 ILE A 49 -6.718 -3.794 0.296 1.00 73.51 H new ATOM 0 HG13 ILE A 49 -8.453 -3.713 0.530 1.00 73.51 H new ATOM 0 HG21 ILE A 49 -5.924 -3.086 3.197 1.00 64.23 H new ATOM 0 HG22 ILE A 49 -5.964 -4.736 3.863 1.00 64.23 H new ATOM 0 HG23 ILE A 49 -5.212 -4.433 2.279 1.00 64.23 H new ATOM 0 HD11 ILE A 49 -7.489 -1.470 0.339 1.00 41.24 H new ATOM 0 HD12 ILE A 49 -8.180 -1.715 1.961 1.00 41.24 H new ATOM 0 HD13 ILE A 49 -6.419 -1.797 1.723 1.00 41.24 H new ATOM 785 N SER A 50 -8.552 -6.875 3.891 1.00 4.32 N ATOM 786 CA SER A 50 -8.608 -7.680 5.126 1.00 22.42 C ATOM 787 C SER A 50 -8.128 -9.119 4.888 1.00 33.33 C ATOM 788 O SER A 50 -7.323 -9.654 5.654 1.00 1.11 O ATOM 789 CB SER A 50 -10.038 -7.703 5.687 1.00 22.45 C ATOM 790 OG SER A 50 -10.112 -8.470 6.881 1.00 5.55 O ATOM 0 H SER A 50 -9.439 -6.439 3.638 1.00 4.32 H new ATOM 0 HA SER A 50 -7.939 -7.212 5.848 1.00 22.42 H new ATOM 0 HB2 SER A 50 -10.369 -6.684 5.886 1.00 22.45 H new ATOM 0 HB3 SER A 50 -10.716 -8.119 4.942 1.00 22.45 H new ATOM 0 HG SER A 50 -11.033 -8.466 7.216 1.00 5.55 H new ATOM 796 N SER A 51 -8.609 -9.730 3.809 1.00 65.43 N ATOM 797 CA SER A 51 -8.264 -11.119 3.478 1.00 24.41 C ATOM 798 C SER A 51 -6.830 -11.249 2.944 1.00 61.53 C ATOM 799 O SER A 51 -6.341 -12.357 2.737 1.00 14.42 O ATOM 800 CB SER A 51 -9.249 -11.678 2.443 1.00 13.32 C ATOM 801 OG SER A 51 -10.587 -11.608 2.919 1.00 5.43 O ATOM 0 H SER A 51 -9.242 -9.287 3.143 1.00 65.43 H new ATOM 0 HA SER A 51 -8.330 -11.694 4.401 1.00 24.41 H new ATOM 0 HB2 SER A 51 -9.161 -11.117 1.513 1.00 13.32 H new ATOM 0 HB3 SER A 51 -8.994 -12.713 2.216 1.00 13.32 H new ATOM 0 HG SER A 51 -11.026 -10.816 2.545 1.00 5.43 H new ATOM 807 N ILE A 52 -6.168 -10.115 2.709 1.00 54.15 N ATOM 808 CA ILE A 52 -4.777 -10.109 2.238 1.00 30.04 C ATOM 809 C ILE A 52 -3.793 -9.857 3.396 1.00 73.04 C ATOM 810 O ILE A 52 -2.826 -10.599 3.577 1.00 33.01 O ATOM 811 CB ILE A 52 -4.560 -9.036 1.139 1.00 0.44 C ATOM 812 CG1 ILE A 52 -5.507 -9.290 -0.049 1.00 24.31 C ATOM 813 CG2 ILE A 52 -3.103 -9.024 0.673 1.00 74.21 C ATOM 814 CD1 ILE A 52 -5.428 -8.239 -1.139 1.00 34.30 C ATOM 0 H ILE A 52 -6.571 -9.187 2.836 1.00 54.15 H new ATOM 0 HA ILE A 52 -4.582 -11.095 1.816 1.00 30.04 H new ATOM 0 HB ILE A 52 -4.788 -8.058 1.562 1.00 0.44 H new ATOM 0 HG12 ILE A 52 -5.277 -10.264 -0.481 1.00 24.31 H new ATOM 0 HG13 ILE A 52 -6.531 -9.339 0.321 1.00 24.31 H new ATOM 0 HG21 ILE A 52 -2.974 -8.264 -0.098 1.00 74.21 H new ATOM 0 HG22 ILE A 52 -2.453 -8.798 1.518 1.00 74.21 H new ATOM 0 HG23 ILE A 52 -2.843 -10.001 0.266 1.00 74.21 H new ATOM 0 HD11 ILE A 52 -6.125 -8.491 -1.938 1.00 34.30 H new ATOM 0 HD12 ILE A 52 -5.688 -7.265 -0.725 1.00 34.30 H new ATOM 0 HD13 ILE A 52 -4.414 -8.205 -1.539 1.00 34.30 H new ATOM 826 N VAL A 53 -4.050 -8.812 4.187 1.00 65.21 N ATOM 827 CA VAL A 53 -3.161 -8.444 5.298 1.00 51.43 C ATOM 828 C VAL A 53 -3.085 -9.552 6.372 1.00 3.13 C ATOM 829 O VAL A 53 -2.022 -9.805 6.940 1.00 4.42 O ATOM 830 CB VAL A 53 -3.590 -7.099 5.951 1.00 5.11 C ATOM 831 CG1 VAL A 53 -5.009 -7.183 6.507 1.00 1.42 C ATOM 832 CG2 VAL A 53 -2.598 -6.681 7.039 1.00 75.10 C ATOM 0 H VAL A 53 -4.863 -8.206 4.081 1.00 65.21 H new ATOM 0 HA VAL A 53 -2.167 -8.321 4.869 1.00 51.43 H new ATOM 0 HB VAL A 53 -3.583 -6.333 5.175 1.00 5.11 H new ATOM 0 HG11 VAL A 53 -5.281 -6.228 6.957 1.00 1.42 H new ATOM 0 HG12 VAL A 53 -5.703 -7.414 5.699 1.00 1.42 H new ATOM 0 HG13 VAL A 53 -5.058 -7.967 7.263 1.00 1.42 H new ATOM 0 HG21 VAL A 53 -2.919 -5.738 7.481 1.00 75.10 H new ATOM 0 HG22 VAL A 53 -2.560 -7.449 7.811 1.00 75.10 H new ATOM 0 HG23 VAL A 53 -1.608 -6.558 6.601 1.00 75.10 H new ATOM 842 N ASN A 54 -4.213 -10.217 6.639 1.00 1.04 N ATOM 843 CA ASN A 54 -4.249 -11.342 7.592 1.00 24.51 C ATOM 844 C ASN A 54 -4.388 -12.686 6.857 1.00 43.11 C ATOM 845 O ASN A 54 -4.880 -13.663 7.420 1.00 71.44 O ATOM 846 CB ASN A 54 -5.413 -11.171 8.577 1.00 14.52 C ATOM 847 CG ASN A 54 -5.310 -9.883 9.372 1.00 55.42 C ATOM 848 OD1 ASN A 54 -5.876 -8.864 8.999 1.00 61.25 O ATOM 849 ND2 ASN A 54 -4.569 -9.908 10.461 1.00 53.44 N ATOM 0 H ASN A 54 -5.114 -10.000 6.212 1.00 1.04 H new ATOM 0 HA ASN A 54 -3.308 -11.343 8.142 1.00 24.51 H new ATOM 0 HB2 ASN A 54 -6.355 -11.182 8.028 1.00 14.52 H new ATOM 0 HB3 ASN A 54 -5.433 -12.018 9.263 1.00 14.52 H new ATOM 0 HD21 ASN A 54 -4.454 -9.062 11.019 1.00 53.44 H new ATOM 0 HD22 ASN A 54 -4.110 -10.773 10.746 1.00 53.44 H new ATOM 856 N SER A 55 -3.924 -12.737 5.610 1.00 63.44 N ATOM 857 CA SER A 55 -4.122 -13.923 4.761 1.00 42.52 C ATOM 858 C SER A 55 -3.347 -15.152 5.252 1.00 33.40 C ATOM 859 O SER A 55 -2.166 -15.068 5.613 1.00 72.02 O ATOM 860 CB SER A 55 -3.715 -13.639 3.318 1.00 25.12 C ATOM 861 OG SER A 55 -3.979 -14.760 2.492 1.00 64.33 O ATOM 0 H SER A 55 -3.410 -11.978 5.162 1.00 63.44 H new ATOM 0 HA SER A 55 -5.187 -14.147 4.818 1.00 42.52 H new ATOM 0 HB2 SER A 55 -4.259 -12.771 2.946 1.00 25.12 H new ATOM 0 HB3 SER A 55 -2.654 -13.392 3.276 1.00 25.12 H new ATOM 0 HG SER A 55 -3.586 -14.614 1.606 1.00 64.33 H new ATOM 867 N THR A 56 -4.024 -16.298 5.236 1.00 1.35 N ATOM 868 CA THR A 56 -3.411 -17.591 5.569 1.00 41.25 C ATOM 869 C THR A 56 -3.402 -18.539 4.358 1.00 24.10 C ATOM 870 O THR A 56 -2.423 -19.250 4.116 1.00 74.53 O ATOM 871 CB THR A 56 -4.146 -18.279 6.750 1.00 44.35 C ATOM 872 OG1 THR A 56 -3.735 -19.650 6.865 1.00 73.22 O ATOM 873 CG2 THR A 56 -5.663 -18.211 6.579 1.00 13.34 C ATOM 0 H THR A 56 -5.013 -16.361 4.993 1.00 1.35 H new ATOM 0 HA THR A 56 -2.382 -17.382 5.863 1.00 41.25 H new ATOM 0 HB THR A 56 -3.879 -17.743 7.660 1.00 44.35 H new ATOM 0 HG1 THR A 56 -4.205 -20.071 7.615 1.00 73.22 H new ATOM 0 HG21 THR A 56 -6.147 -18.702 7.423 1.00 13.34 H new ATOM 0 HG22 THR A 56 -5.978 -17.168 6.537 1.00 13.34 H new ATOM 0 HG23 THR A 56 -5.948 -18.714 5.655 1.00 13.34 H new ATOM 881 N TYR A 57 -4.491 -18.525 3.589 1.00 24.43 N ATOM 882 CA TYR A 57 -4.663 -19.437 2.446 1.00 33.13 C ATOM 883 C TYR A 57 -4.287 -18.766 1.107 1.00 52.31 C ATOM 884 O TYR A 57 -3.778 -19.416 0.192 1.00 5.22 O ATOM 885 CB TYR A 57 -6.127 -19.909 2.405 1.00 3.12 C ATOM 886 CG TYR A 57 -6.403 -21.055 1.442 1.00 32.44 C ATOM 887 CD1 TYR A 57 -6.731 -20.819 0.108 1.00 15.21 C ATOM 888 CD2 TYR A 57 -6.360 -22.376 1.879 1.00 2.12 C ATOM 889 CE1 TYR A 57 -7.001 -21.864 -0.757 1.00 25.04 C ATOM 890 CE2 TYR A 57 -6.624 -23.423 1.019 1.00 33.42 C ATOM 891 CZ TYR A 57 -6.947 -23.163 -0.295 1.00 71.32 C ATOM 892 OH TYR A 57 -7.226 -24.210 -1.149 1.00 4.32 O ATOM 0 H TYR A 57 -5.275 -17.889 3.734 1.00 24.43 H new ATOM 0 HA TYR A 57 -3.992 -20.285 2.579 1.00 33.13 H new ATOM 0 HB2 TYR A 57 -6.423 -20.217 3.408 1.00 3.12 H new ATOM 0 HB3 TYR A 57 -6.759 -19.064 2.132 1.00 3.12 H new ATOM 0 HD1 TYR A 57 -6.775 -19.803 -0.256 1.00 15.21 H new ATOM 0 HD2 TYR A 57 -6.116 -22.586 2.910 1.00 2.12 H new ATOM 0 HE1 TYR A 57 -7.253 -21.664 -1.788 1.00 25.04 H new ATOM 0 HE2 TYR A 57 -6.578 -24.442 1.375 1.00 33.42 H new ATOM 0 HH TYR A 57 -7.142 -25.058 -0.665 1.00 4.32 H new ATOM 902 N TYR A 58 -4.542 -17.464 1.003 1.00 35.24 N ATOM 903 CA TYR A 58 -4.349 -16.716 -0.250 1.00 22.11 C ATOM 904 C TYR A 58 -2.973 -16.019 -0.281 1.00 33.40 C ATOM 905 O TYR A 58 -2.837 -14.862 0.119 1.00 63.51 O ATOM 906 CB TYR A 58 -5.492 -15.696 -0.391 1.00 23.33 C ATOM 907 CG TYR A 58 -5.546 -14.965 -1.718 1.00 71.23 C ATOM 908 CD1 TYR A 58 -5.628 -15.663 -2.919 1.00 22.43 C ATOM 909 CD2 TYR A 58 -5.529 -13.573 -1.771 1.00 54.31 C ATOM 910 CE1 TYR A 58 -5.687 -14.998 -4.128 1.00 73.02 C ATOM 911 CE2 TYR A 58 -5.590 -12.903 -2.976 1.00 54.01 C ATOM 912 CZ TYR A 58 -5.669 -13.618 -4.152 1.00 53.43 C ATOM 913 OH TYR A 58 -5.728 -12.948 -5.356 1.00 70.44 O ATOM 0 H TYR A 58 -4.886 -16.895 1.776 1.00 35.24 H new ATOM 0 HA TYR A 58 -4.369 -17.407 -1.093 1.00 22.11 H new ATOM 0 HB2 TYR A 58 -6.440 -16.213 -0.241 1.00 23.33 H new ATOM 0 HB3 TYR A 58 -5.401 -14.960 0.408 1.00 23.33 H new ATOM 0 HD1 TYR A 58 -5.646 -16.743 -2.905 1.00 22.43 H new ATOM 0 HD2 TYR A 58 -5.467 -13.008 -0.853 1.00 54.31 H new ATOM 0 HE1 TYR A 58 -5.747 -15.556 -5.051 1.00 73.02 H new ATOM 0 HE2 TYR A 58 -5.576 -11.823 -2.998 1.00 54.01 H new ATOM 0 HH TYR A 58 -6.171 -12.083 -5.228 1.00 70.44 H new ATOM 923 N ALA A 59 -1.954 -16.734 -0.757 1.00 54.53 N ATOM 924 CA ALA A 59 -0.569 -16.241 -0.710 1.00 42.33 C ATOM 925 C ALA A 59 -0.259 -15.231 -1.829 1.00 73.51 C ATOM 926 O ALA A 59 0.195 -14.115 -1.562 1.00 51.11 O ATOM 927 CB ALA A 59 0.402 -17.416 -0.773 1.00 3.44 C ATOM 0 H ALA A 59 -2.057 -17.656 -1.180 1.00 54.53 H new ATOM 0 HA ALA A 59 -0.447 -15.711 0.235 1.00 42.33 H new ATOM 0 HB1 ALA A 59 1.426 -17.044 -0.738 1.00 3.44 H new ATOM 0 HB2 ALA A 59 0.227 -18.078 0.075 1.00 3.44 H new ATOM 0 HB3 ALA A 59 0.248 -17.966 -1.701 1.00 3.44 H new ATOM 933 N ASN A 60 -0.491 -15.626 -3.079 1.00 13.52 N ATOM 934 CA ASN A 60 -0.190 -14.763 -4.226 1.00 42.41 C ATOM 935 C ASN A 60 -1.458 -14.065 -4.739 1.00 61.43 C ATOM 936 O ASN A 60 -2.378 -14.710 -5.246 1.00 62.33 O ATOM 937 CB ASN A 60 0.463 -15.572 -5.353 1.00 1.11 C ATOM 938 CG ASN A 60 0.997 -14.680 -6.460 1.00 11.40 C ATOM 939 OD1 ASN A 60 1.417 -13.552 -6.216 1.00 32.42 O ATOM 940 ND2 ASN A 60 0.987 -15.168 -7.681 1.00 1.04 N ATOM 0 H ASN A 60 -0.885 -16.534 -3.326 1.00 13.52 H new ATOM 0 HA ASN A 60 0.511 -13.997 -3.894 1.00 42.41 H new ATOM 0 HB2 ASN A 60 1.278 -16.170 -4.945 1.00 1.11 H new ATOM 0 HB3 ASN A 60 -0.266 -16.268 -5.768 1.00 1.11 H new ATOM 0 HD21 ASN A 60 1.335 -14.606 -8.458 1.00 1.04 H new ATOM 0 HD22 ASN A 60 0.632 -16.109 -7.851 1.00 1.04 H new ATOM 947 N VAL A 61 -1.489 -12.742 -4.619 1.00 73.13 N ATOM 948 CA VAL A 61 -2.674 -11.953 -4.975 1.00 15.42 C ATOM 949 C VAL A 61 -2.727 -11.616 -6.480 1.00 64.34 C ATOM 950 O VAL A 61 -1.693 -11.480 -7.139 1.00 4.44 O ATOM 951 CB VAL A 61 -2.732 -10.646 -4.145 1.00 2.24 C ATOM 952 CG1 VAL A 61 -1.552 -9.733 -4.476 1.00 44.14 C ATOM 953 CG2 VAL A 61 -4.067 -9.929 -4.348 1.00 64.13 C ATOM 0 H VAL A 61 -0.705 -12.187 -4.277 1.00 73.13 H new ATOM 0 HA VAL A 61 -3.541 -12.571 -4.743 1.00 15.42 H new ATOM 0 HB VAL A 61 -2.656 -10.911 -3.091 1.00 2.24 H new ATOM 0 HG11 VAL A 61 -1.617 -8.823 -3.879 1.00 44.14 H new ATOM 0 HG12 VAL A 61 -0.619 -10.249 -4.250 1.00 44.14 H new ATOM 0 HG13 VAL A 61 -1.577 -9.475 -5.535 1.00 44.14 H new ATOM 0 HG21 VAL A 61 -4.083 -9.015 -3.755 1.00 64.13 H new ATOM 0 HG22 VAL A 61 -4.190 -9.680 -5.402 1.00 64.13 H new ATOM 0 HG23 VAL A 61 -4.882 -10.581 -4.032 1.00 64.13 H new ATOM 963 N SER A 62 -3.948 -11.498 -7.014 1.00 74.11 N ATOM 964 CA SER A 62 -4.166 -11.154 -8.433 1.00 65.42 C ATOM 965 C SER A 62 -3.520 -9.808 -8.819 1.00 72.23 C ATOM 966 O SER A 62 -3.362 -8.911 -7.982 1.00 0.41 O ATOM 967 CB SER A 62 -5.671 -11.113 -8.752 1.00 4.14 C ATOM 968 OG SER A 62 -6.288 -12.377 -8.542 1.00 14.25 O ATOM 0 H SER A 62 -4.809 -11.636 -6.485 1.00 74.11 H new ATOM 0 HA SER A 62 -3.684 -11.934 -9.023 1.00 65.42 H new ATOM 0 HB2 SER A 62 -6.155 -10.363 -8.126 1.00 4.14 H new ATOM 0 HB3 SER A 62 -5.815 -10.805 -9.788 1.00 4.14 H new ATOM 0 HG SER A 62 -6.175 -12.645 -7.606 1.00 14.25 H new ATOM 974 N ALA A 63 -3.175 -9.673 -10.105 1.00 41.21 N ATOM 975 CA ALA A 63 -2.479 -8.482 -10.618 1.00 60.34 C ATOM 976 C ALA A 63 -3.246 -7.181 -10.342 1.00 74.14 C ATOM 977 O ALA A 63 -2.645 -6.160 -10.003 1.00 31.41 O ATOM 978 CB ALA A 63 -2.224 -8.624 -12.115 1.00 11.15 C ATOM 0 H ALA A 63 -3.367 -10.379 -10.816 1.00 41.21 H new ATOM 0 HA ALA A 63 -1.531 -8.417 -10.084 1.00 60.34 H new ATOM 0 HB1 ALA A 63 -1.709 -7.736 -12.482 1.00 11.15 H new ATOM 0 HB2 ALA A 63 -1.606 -9.504 -12.297 1.00 11.15 H new ATOM 0 HB3 ALA A 63 -3.174 -8.734 -12.637 1.00 11.15 H new ATOM 984 N ALA A 64 -4.573 -7.227 -10.479 1.00 13.34 N ATOM 985 CA ALA A 64 -5.422 -6.040 -10.286 1.00 65.30 C ATOM 986 C ALA A 64 -5.124 -5.318 -8.959 1.00 52.24 C ATOM 987 O ALA A 64 -5.217 -4.094 -8.870 1.00 11.32 O ATOM 988 CB ALA A 64 -6.897 -6.425 -10.354 1.00 1.05 C ATOM 0 H ALA A 64 -5.088 -8.073 -10.723 1.00 13.34 H new ATOM 0 HA ALA A 64 -5.191 -5.346 -11.094 1.00 65.30 H new ATOM 0 HB1 ALA A 64 -7.512 -5.537 -10.209 1.00 1.05 H new ATOM 0 HB2 ALA A 64 -7.114 -6.862 -11.329 1.00 1.05 H new ATOM 0 HB3 ALA A 64 -7.120 -7.152 -9.573 1.00 1.05 H new ATOM 994 N LYS A 65 -4.742 -6.082 -7.937 1.00 24.24 N ATOM 995 CA LYS A 65 -4.452 -5.518 -6.612 1.00 64.30 C ATOM 996 C LYS A 65 -3.216 -4.597 -6.652 1.00 72.31 C ATOM 997 O LYS A 65 -3.183 -3.568 -5.986 1.00 41.12 O ATOM 998 CB LYS A 65 -4.249 -6.658 -5.592 1.00 22.32 C ATOM 999 CG LYS A 65 -4.490 -6.267 -4.126 1.00 44.34 C ATOM 1000 CD LYS A 65 -3.378 -5.402 -3.519 1.00 34.41 C ATOM 1001 CE LYS A 65 -2.061 -6.162 -3.330 1.00 11.53 C ATOM 1002 NZ LYS A 65 -1.369 -6.444 -4.618 1.00 13.45 N ATOM 0 H LYS A 65 -4.625 -7.093 -7.997 1.00 24.24 H new ATOM 0 HA LYS A 65 -5.303 -4.910 -6.303 1.00 64.30 H new ATOM 0 HB2 LYS A 65 -4.919 -7.479 -5.849 1.00 22.32 H new ATOM 0 HB3 LYS A 65 -3.231 -7.035 -5.689 1.00 22.32 H new ATOM 0 HG2 LYS A 65 -5.435 -5.728 -4.055 1.00 44.34 H new ATOM 0 HG3 LYS A 65 -4.595 -7.174 -3.531 1.00 44.34 H new ATOM 0 HD2 LYS A 65 -3.204 -4.540 -4.163 1.00 34.41 H new ATOM 0 HD3 LYS A 65 -3.710 -5.018 -2.555 1.00 34.41 H new ATOM 0 HE2 LYS A 65 -1.400 -5.581 -2.687 1.00 11.53 H new ATOM 0 HE3 LYS A 65 -2.260 -7.102 -2.816 1.00 11.53 H new ATOM 0 HZ1 LYS A 65 -0.376 -6.691 -4.432 1.00 13.45 H new ATOM 0 HZ2 LYS A 65 -1.839 -7.238 -5.098 1.00 13.45 H new ATOM 0 HZ3 LYS A 65 -1.408 -5.600 -5.225 1.00 13.45 H new ATOM 1016 N CYS A 66 -2.199 -4.971 -7.424 1.00 5.21 N ATOM 1017 CA CYS A 66 -0.973 -4.160 -7.525 1.00 21.14 C ATOM 1018 C CYS A 66 -1.113 -3.079 -8.605 1.00 14.24 C ATOM 1019 O CYS A 66 -0.624 -1.962 -8.449 1.00 65.21 O ATOM 1020 CB CYS A 66 0.240 -5.051 -7.823 1.00 2.44 C ATOM 1021 SG CYS A 66 0.122 -5.981 -9.366 1.00 13.14 S ATOM 0 H CYS A 66 -2.192 -5.822 -7.987 1.00 5.21 H new ATOM 0 HA CYS A 66 -0.819 -3.666 -6.565 1.00 21.14 H new ATOM 0 HB2 CYS A 66 1.134 -4.428 -7.856 1.00 2.44 H new ATOM 0 HB3 CYS A 66 0.371 -5.753 -6.999 1.00 2.44 H new ATOM 0 HG CYS A 66 -1.128 -6.207 -9.642 1.00 13.14 H new ATOM 1027 N GLN A 67 -1.798 -3.418 -9.694 1.00 61.41 N ATOM 1028 CA GLN A 67 -2.029 -2.482 -10.801 1.00 30.31 C ATOM 1029 C GLN A 67 -2.907 -1.287 -10.381 1.00 24.01 C ATOM 1030 O GLN A 67 -2.492 -0.130 -10.496 1.00 5.00 O ATOM 1031 CB GLN A 67 -2.673 -3.228 -11.983 1.00 23.24 C ATOM 1032 CG GLN A 67 -3.098 -2.325 -13.141 1.00 25.21 C ATOM 1033 CD GLN A 67 -3.561 -3.116 -14.355 1.00 31.44 C ATOM 1034 OE1 GLN A 67 -2.775 -3.420 -15.247 1.00 22.22 O ATOM 1035 NE2 GLN A 67 -4.832 -3.466 -14.395 1.00 12.24 N ATOM 0 H GLN A 67 -2.208 -4.341 -9.838 1.00 61.41 H new ATOM 0 HA GLN A 67 -1.062 -2.078 -11.102 1.00 30.31 H new ATOM 0 HB2 GLN A 67 -1.968 -3.970 -12.357 1.00 23.24 H new ATOM 0 HB3 GLN A 67 -3.546 -3.771 -11.622 1.00 23.24 H new ATOM 0 HG2 GLN A 67 -3.903 -1.669 -12.810 1.00 25.21 H new ATOM 0 HG3 GLN A 67 -2.262 -1.686 -13.425 1.00 25.21 H new ATOM 0 HE21 GLN A 67 -5.459 -3.197 -13.637 1.00 12.24 H new ATOM 0 HE22 GLN A 67 -5.188 -4.006 -15.184 1.00 12.24 H new ATOM 1044 N GLU A 68 -4.117 -1.576 -9.899 1.00 13.34 N ATOM 1045 CA GLU A 68 -5.076 -0.531 -9.513 1.00 12.21 C ATOM 1046 C GLU A 68 -4.624 0.228 -8.251 1.00 20.10 C ATOM 1047 O GLU A 68 -4.396 1.439 -8.289 1.00 52.14 O ATOM 1048 CB GLU A 68 -6.463 -1.156 -9.294 1.00 44.20 C ATOM 1049 CG GLU A 68 -7.548 -0.163 -8.883 1.00 63.12 C ATOM 1050 CD GLU A 68 -7.750 0.955 -9.896 1.00 22.03 C ATOM 1051 OE1 GLU A 68 -8.269 0.677 -11.002 1.00 12.23 O ATOM 1052 OE2 GLU A 68 -7.386 2.110 -9.596 1.00 32.34 O ATOM 0 H GLU A 68 -4.460 -2.527 -9.765 1.00 13.34 H new ATOM 0 HA GLU A 68 -5.126 0.195 -10.325 1.00 12.21 H new ATOM 0 HB2 GLU A 68 -6.773 -1.653 -10.213 1.00 44.20 H new ATOM 0 HB3 GLU A 68 -6.383 -1.926 -8.527 1.00 44.20 H new ATOM 0 HG2 GLU A 68 -8.489 -0.697 -8.748 1.00 63.12 H new ATOM 0 HG3 GLU A 68 -7.287 0.272 -7.918 1.00 63.12 H new ATOM 1059 N PHE A 69 -4.485 -0.488 -7.135 1.00 44.24 N ATOM 1060 CA PHE A 69 -4.061 0.128 -5.870 1.00 11.24 C ATOM 1061 C PHE A 69 -2.694 0.823 -6.020 1.00 41.43 C ATOM 1062 O PHE A 69 -2.447 1.873 -5.421 1.00 13.53 O ATOM 1063 CB PHE A 69 -4.004 -0.927 -4.759 1.00 21.33 C ATOM 1064 CG PHE A 69 -3.816 -0.353 -3.375 1.00 74.12 C ATOM 1065 CD1 PHE A 69 -4.903 0.120 -2.655 1.00 74.41 C ATOM 1066 CD2 PHE A 69 -2.555 -0.287 -2.796 1.00 60.34 C ATOM 1067 CE1 PHE A 69 -4.738 0.648 -1.389 1.00 61.05 C ATOM 1068 CE2 PHE A 69 -2.386 0.239 -1.530 1.00 31.22 C ATOM 1069 CZ PHE A 69 -3.479 0.707 -0.826 1.00 14.23 C ATOM 0 H PHE A 69 -4.658 -1.492 -7.077 1.00 44.24 H new ATOM 0 HA PHE A 69 -4.796 0.886 -5.600 1.00 11.24 H new ATOM 0 HB2 PHE A 69 -4.925 -1.509 -4.777 1.00 21.33 H new ATOM 0 HB3 PHE A 69 -3.187 -1.617 -4.969 1.00 21.33 H new ATOM 0 HD1 PHE A 69 -5.891 0.075 -3.089 1.00 74.41 H new ATOM 0 HD2 PHE A 69 -1.697 -0.651 -3.342 1.00 60.34 H new ATOM 0 HE1 PHE A 69 -5.593 1.014 -0.840 1.00 61.05 H new ATOM 0 HE2 PHE A 69 -1.400 0.284 -1.091 1.00 31.22 H new ATOM 0 HZ PHE A 69 -3.348 1.119 0.164 1.00 14.23 H new ATOM 1079 N GLY A 70 -1.816 0.230 -6.829 1.00 1.02 N ATOM 1080 CA GLY A 70 -0.531 0.850 -7.129 1.00 12.15 C ATOM 1081 C GLY A 70 -0.682 2.198 -7.831 1.00 30.03 C ATOM 1082 O GLY A 70 0.071 3.135 -7.562 1.00 44.13 O ATOM 0 H GLY A 70 -1.971 -0.670 -7.283 1.00 1.02 H new ATOM 0 HA2 GLY A 70 0.028 0.987 -6.203 1.00 12.15 H new ATOM 0 HA3 GLY A 70 0.054 0.180 -7.759 1.00 12.15 H new ATOM 1086 N ARG A 71 -1.664 2.294 -8.732 1.00 73.22 N ATOM 1087 CA ARG A 71 -1.978 3.559 -9.407 1.00 44.14 C ATOM 1088 C ARG A 71 -2.433 4.617 -8.390 1.00 62.53 C ATOM 1089 O ARG A 71 -2.084 5.796 -8.499 1.00 2.41 O ATOM 1090 CB ARG A 71 -3.081 3.340 -10.452 1.00 54.22 C ATOM 1091 CG ARG A 71 -3.392 4.573 -11.299 1.00 5.10 C ATOM 1092 CD ARG A 71 -4.671 4.398 -12.110 1.00 3.22 C ATOM 1093 NE ARG A 71 -4.686 3.131 -12.835 1.00 54.14 N ATOM 1094 CZ ARG A 71 -5.711 2.326 -12.879 1.00 0.32 C ATOM 1095 NH1 ARG A 71 -6.824 2.648 -12.305 1.00 35.01 N ATOM 1096 NH2 ARG A 71 -5.613 1.200 -13.507 1.00 53.32 N ATOM 0 H ARG A 71 -2.256 1.512 -9.012 1.00 73.22 H new ATOM 0 HA ARG A 71 -1.076 3.915 -9.904 1.00 44.14 H new ATOM 0 HB2 ARG A 71 -2.785 2.525 -11.112 1.00 54.22 H new ATOM 0 HB3 ARG A 71 -3.991 3.023 -9.943 1.00 54.22 H new ATOM 0 HG2 ARG A 71 -3.490 5.444 -10.650 1.00 5.10 H new ATOM 0 HG3 ARG A 71 -2.559 4.770 -11.973 1.00 5.10 H new ATOM 0 HD2 ARG A 71 -5.533 4.446 -11.444 1.00 3.22 H new ATOM 0 HD3 ARG A 71 -4.768 5.222 -12.817 1.00 3.22 H new ATOM 0 HE ARG A 71 -3.842 2.858 -13.339 1.00 54.14 H new ATOM 0 HH11 ARG A 71 -6.905 3.538 -11.813 1.00 35.01 H new ATOM 0 HH12 ARG A 71 -7.621 2.012 -12.344 1.00 35.01 H new ATOM 0 HH21 ARG A 71 -4.738 0.946 -13.964 1.00 53.32 H new ATOM 0 HH22 ARG A 71 -6.411 0.566 -13.545 1.00 53.32 H new ATOM 1110 N TRP A 72 -3.217 4.177 -7.407 1.00 1.23 N ATOM 1111 CA TRP A 72 -3.695 5.044 -6.323 1.00 0.13 C ATOM 1112 C TRP A 72 -2.525 5.685 -5.557 1.00 25.52 C ATOM 1113 O TRP A 72 -2.414 6.911 -5.482 1.00 23.51 O ATOM 1114 CB TRP A 72 -4.580 4.227 -5.368 1.00 31.21 C ATOM 1115 CG TRP A 72 -5.002 4.972 -4.134 1.00 14.23 C ATOM 1116 CD1 TRP A 72 -5.997 5.899 -4.031 1.00 72.32 C ATOM 1117 CD2 TRP A 72 -4.437 4.840 -2.824 1.00 13.34 C ATOM 1118 NE1 TRP A 72 -6.081 6.354 -2.740 1.00 12.41 N ATOM 1119 CE2 TRP A 72 -5.136 5.719 -1.979 1.00 42.20 C ATOM 1120 CE3 TRP A 72 -3.407 4.063 -2.283 1.00 21.33 C ATOM 1121 CZ2 TRP A 72 -4.837 5.845 -0.625 1.00 10.42 C ATOM 1122 CZ3 TRP A 72 -3.110 4.188 -0.939 1.00 74.41 C ATOM 1123 CH2 TRP A 72 -3.824 5.073 -0.122 1.00 61.44 C ATOM 0 H TRP A 72 -3.540 3.212 -7.337 1.00 1.23 H new ATOM 0 HA TRP A 72 -4.280 5.853 -6.760 1.00 0.13 H new ATOM 0 HB2 TRP A 72 -5.471 3.901 -5.905 1.00 31.21 H new ATOM 0 HB3 TRP A 72 -4.041 3.328 -5.070 1.00 31.21 H new ATOM 0 HD1 TRP A 72 -6.626 6.226 -4.846 1.00 72.32 H new ATOM 0 HE1 TRP A 72 -6.742 7.053 -2.401 1.00 12.41 H new ATOM 0 HE3 TRP A 72 -2.853 3.376 -2.906 1.00 21.33 H new ATOM 0 HZ2 TRP A 72 -5.385 6.528 0.007 1.00 10.42 H new ATOM 0 HZ3 TRP A 72 -2.315 3.594 -0.512 1.00 74.41 H new ATOM 0 HH2 TRP A 72 -3.571 5.148 0.925 1.00 61.44 H new ATOM 1134 N TYR A 73 -1.647 4.850 -4.997 1.00 65.22 N ATOM 1135 CA TYR A 73 -0.485 5.344 -4.248 1.00 34.42 C ATOM 1136 C TYR A 73 0.450 6.168 -5.152 1.00 2.50 C ATOM 1137 O TYR A 73 0.964 7.215 -4.748 1.00 40.00 O ATOM 1138 CB TYR A 73 0.284 4.174 -3.611 1.00 32.21 C ATOM 1139 CG TYR A 73 1.475 4.613 -2.777 1.00 14.45 C ATOM 1140 CD1 TYR A 73 1.291 5.254 -1.553 1.00 25.25 C ATOM 1141 CD2 TYR A 73 2.780 4.398 -3.213 1.00 63.14 C ATOM 1142 CE1 TYR A 73 2.369 5.667 -0.796 1.00 22.24 C ATOM 1143 CE2 TYR A 73 3.861 4.805 -2.456 1.00 62.02 C ATOM 1144 CZ TYR A 73 3.651 5.440 -1.250 1.00 4.32 C ATOM 1145 OH TYR A 73 4.730 5.863 -0.504 1.00 31.11 O ATOM 0 H TYR A 73 -1.716 3.834 -5.046 1.00 65.22 H new ATOM 0 HA TYR A 73 -0.851 5.996 -3.455 1.00 34.42 H new ATOM 0 HB2 TYR A 73 -0.398 3.601 -2.983 1.00 32.21 H new ATOM 0 HB3 TYR A 73 0.629 3.505 -4.399 1.00 32.21 H new ATOM 0 HD1 TYR A 73 0.289 5.430 -1.191 1.00 25.25 H new ATOM 0 HD2 TYR A 73 2.949 3.905 -4.159 1.00 63.14 H new ATOM 0 HE1 TYR A 73 2.209 6.166 0.148 1.00 22.24 H new ATOM 0 HE2 TYR A 73 4.867 4.627 -2.807 1.00 62.02 H new ATOM 0 HH TYR A 73 5.546 5.435 -0.837 1.00 31.11 H new ATOM 1155 N LYS A 74 0.661 5.688 -6.375 1.00 62.33 N ATOM 1156 CA LYS A 74 1.482 6.396 -7.366 1.00 54.22 C ATOM 1157 C LYS A 74 0.931 7.800 -7.658 1.00 50.24 C ATOM 1158 O LYS A 74 1.691 8.761 -7.797 1.00 33.31 O ATOM 1159 CB LYS A 74 1.554 5.566 -8.656 1.00 3.30 C ATOM 1160 CG LYS A 74 2.259 6.255 -9.824 1.00 21.15 C ATOM 1161 CD LYS A 74 2.594 5.261 -10.939 1.00 2.23 C ATOM 1162 CE LYS A 74 1.373 4.462 -11.383 1.00 5.35 C ATOM 1163 NZ LYS A 74 1.735 3.394 -12.349 1.00 71.20 N ATOM 0 H LYS A 74 0.274 4.806 -6.709 1.00 62.33 H new ATOM 0 HA LYS A 74 2.485 6.521 -6.957 1.00 54.22 H new ATOM 0 HB2 LYS A 74 2.069 4.630 -8.441 1.00 3.30 H new ATOM 0 HB3 LYS A 74 0.540 5.309 -8.963 1.00 3.30 H new ATOM 0 HG2 LYS A 74 1.622 7.047 -10.219 1.00 21.15 H new ATOM 0 HG3 LYS A 74 3.174 6.729 -9.470 1.00 21.15 H new ATOM 0 HD2 LYS A 74 3.004 5.800 -11.793 1.00 2.23 H new ATOM 0 HD3 LYS A 74 3.368 4.576 -10.593 1.00 2.23 H new ATOM 0 HE2 LYS A 74 0.893 4.017 -10.511 1.00 5.35 H new ATOM 0 HE3 LYS A 74 0.645 5.133 -11.839 1.00 5.35 H new ATOM 0 HZ1 LYS A 74 0.879 2.873 -12.627 1.00 71.20 H new ATOM 0 HZ2 LYS A 74 2.170 3.821 -13.192 1.00 71.20 H new ATOM 0 HZ3 LYS A 74 2.410 2.739 -11.905 1.00 71.20 H new ATOM 1177 N HIS A 75 -0.395 7.913 -7.727 1.00 24.54 N ATOM 1178 CA HIS A 75 -1.052 9.202 -7.954 1.00 14.24 C ATOM 1179 C HIS A 75 -0.727 10.186 -6.821 1.00 34.22 C ATOM 1180 O HIS A 75 -0.505 11.372 -7.060 1.00 72.10 O ATOM 1181 CB HIS A 75 -2.571 9.005 -8.077 1.00 53.11 C ATOM 1182 CG HIS A 75 -3.321 10.252 -8.439 1.00 25.43 C ATOM 1183 ND1 HIS A 75 -4.207 10.875 -7.585 1.00 72.25 N ATOM 1184 CD2 HIS A 75 -3.327 10.986 -9.578 1.00 54.02 C ATOM 1185 CE1 HIS A 75 -4.719 11.932 -8.178 1.00 65.15 C ATOM 1186 NE2 HIS A 75 -4.204 12.024 -9.387 1.00 4.23 N ATOM 0 H HIS A 75 -1.037 7.127 -7.629 1.00 24.54 H new ATOM 0 HA HIS A 75 -0.676 9.623 -8.886 1.00 14.24 H new ATOM 0 HB2 HIS A 75 -2.768 8.243 -8.831 1.00 53.11 H new ATOM 0 HB3 HIS A 75 -2.955 8.624 -7.131 1.00 53.11 H new ATOM 0 HD2 HIS A 75 -2.750 10.791 -10.469 1.00 54.02 H new ATOM 0 HE1 HIS A 75 -5.440 12.610 -7.746 1.00 65.15 H new ATOM 0 HE2 HIS A 75 -4.422 12.749 -10.070 1.00 4.23 H new ATOM 1195 N PHE A 76 -0.692 9.680 -5.588 1.00 74.03 N ATOM 1196 CA PHE A 76 -0.332 10.499 -4.425 1.00 61.41 C ATOM 1197 C PHE A 76 1.145 10.924 -4.480 1.00 31.12 C ATOM 1198 O PHE A 76 1.484 12.061 -4.155 1.00 70.40 O ATOM 1199 CB PHE A 76 -0.613 9.736 -3.122 1.00 71.14 C ATOM 1200 CG PHE A 76 -0.309 10.532 -1.873 1.00 31.42 C ATOM 1201 CD1 PHE A 76 -1.210 11.477 -1.398 1.00 12.25 C ATOM 1202 CD2 PHE A 76 0.879 10.342 -1.177 1.00 4.54 C ATOM 1203 CE1 PHE A 76 -0.932 12.212 -0.260 1.00 31.10 C ATOM 1204 CE2 PHE A 76 1.161 11.076 -0.039 1.00 51.42 C ATOM 1205 CZ PHE A 76 0.253 12.012 0.420 1.00 43.42 C ATOM 0 H PHE A 76 -0.908 8.708 -5.367 1.00 74.03 H new ATOM 0 HA PHE A 76 -0.947 11.399 -4.448 1.00 61.41 H new ATOM 0 HB2 PHE A 76 -1.661 9.437 -3.105 1.00 71.14 H new ATOM 0 HB3 PHE A 76 -0.020 8.821 -3.112 1.00 71.14 H new ATOM 0 HD1 PHE A 76 -2.139 11.640 -1.924 1.00 12.25 H new ATOM 0 HD2 PHE A 76 1.592 9.611 -1.530 1.00 4.54 H new ATOM 0 HE1 PHE A 76 -1.642 12.943 0.097 1.00 31.10 H new ATOM 0 HE2 PHE A 76 2.089 10.918 0.490 1.00 51.42 H new ATOM 0 HZ PHE A 76 0.470 12.586 1.309 1.00 43.42 H new ATOM 1215 N LYS A 77 2.012 10.002 -4.903 1.00 72.42 N ATOM 1216 CA LYS A 77 3.452 10.273 -5.024 1.00 3.22 C ATOM 1217 C LYS A 77 3.730 11.490 -5.925 1.00 61.44 C ATOM 1218 O LYS A 77 4.564 12.341 -5.605 1.00 10.43 O ATOM 1219 CB LYS A 77 4.177 9.046 -5.599 1.00 3.31 C ATOM 1220 CG LYS A 77 4.106 7.780 -4.739 1.00 22.21 C ATOM 1221 CD LYS A 77 5.154 7.753 -3.619 1.00 71.51 C ATOM 1222 CE LYS A 77 4.742 8.570 -2.397 1.00 71.53 C ATOM 1223 NZ LYS A 77 5.646 8.321 -1.240 1.00 40.43 N ATOM 0 H LYS A 77 1.743 9.055 -5.170 1.00 72.42 H new ATOM 0 HA LYS A 77 3.825 10.492 -4.024 1.00 3.22 H new ATOM 0 HB2 LYS A 77 3.757 8.823 -6.580 1.00 3.31 H new ATOM 0 HB3 LYS A 77 5.225 9.303 -5.752 1.00 3.31 H new ATOM 0 HG2 LYS A 77 3.112 7.702 -4.300 1.00 22.21 H new ATOM 0 HG3 LYS A 77 4.242 6.907 -5.377 1.00 22.21 H new ATOM 0 HD2 LYS A 77 5.328 6.720 -3.317 1.00 71.51 H new ATOM 0 HD3 LYS A 77 6.099 8.136 -4.004 1.00 71.51 H new ATOM 0 HE2 LYS A 77 4.754 9.631 -2.647 1.00 71.53 H new ATOM 0 HE3 LYS A 77 3.718 8.320 -2.120 1.00 71.53 H new ATOM 0 HZ1 LYS A 77 5.492 9.051 -0.516 1.00 40.43 H new ATOM 0 HZ2 LYS A 77 5.443 7.384 -0.836 1.00 40.43 H new ATOM 0 HZ3 LYS A 77 6.635 8.353 -1.559 1.00 40.43 H new ATOM 1237 N LYS A 78 3.038 11.557 -7.060 1.00 73.14 N ATOM 1238 CA LYS A 78 3.233 12.655 -8.013 1.00 63.05 C ATOM 1239 C LYS A 78 2.456 13.919 -7.615 1.00 51.22 C ATOM 1240 O LYS A 78 2.717 15.004 -8.138 1.00 31.31 O ATOM 1241 CB LYS A 78 2.862 12.208 -9.435 1.00 11.52 C ATOM 1242 CG LYS A 78 3.828 11.174 -10.014 1.00 14.13 C ATOM 1243 CD LYS A 78 5.269 11.690 -9.998 1.00 44.53 C ATOM 1244 CE LYS A 78 6.263 10.660 -10.518 1.00 52.33 C ATOM 1245 NZ LYS A 78 6.032 10.330 -11.949 1.00 62.14 N ATOM 0 H LYS A 78 2.340 10.870 -7.344 1.00 73.14 H new ATOM 0 HA LYS A 78 4.291 12.915 -7.993 1.00 63.05 H new ATOM 0 HB2 LYS A 78 1.855 11.790 -9.426 1.00 11.52 H new ATOM 0 HB3 LYS A 78 2.839 13.080 -10.088 1.00 11.52 H new ATOM 0 HG2 LYS A 78 3.764 10.251 -9.439 1.00 14.13 H new ATOM 0 HG3 LYS A 78 3.537 10.933 -11.036 1.00 14.13 H new ATOM 0 HD2 LYS A 78 5.335 12.593 -10.605 1.00 44.53 H new ATOM 0 HD3 LYS A 78 5.540 11.970 -8.980 1.00 44.53 H new ATOM 0 HE2 LYS A 78 7.277 11.041 -10.394 1.00 52.33 H new ATOM 0 HE3 LYS A 78 6.188 9.751 -9.921 1.00 52.33 H new ATOM 0 HZ1 LYS A 78 6.791 9.704 -12.288 1.00 62.14 H new ATOM 0 HZ2 LYS A 78 5.115 9.849 -12.051 1.00 62.14 H new ATOM 0 HZ3 LYS A 78 6.028 11.205 -12.511 1.00 62.14 H new