USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 698 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: B 49 LYS NZ :NH3+ -162:sc= 1.25 (180deg=0.675) USER MOD Set 1.2: B 53 SER OG : rot 92:sc= 0.55 USER MOD Set 2.1: A 49 LYS NZ :NH3+ -132:sc= 1.24 (180deg=0.661) USER MOD Set 2.2: A 53 SER OG : rot 92:sc= 0.518 USER MOD Single : A 38 THR OG1 : rot 120:sc= -1.62! USER MOD Single : A 41 TYR OH : rot 4:sc= 0.909 USER MOD Single : A 43 MET CE :methyl 160:sc= -0.534 (180deg=-0.985) USER MOD Single : A 44 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.39) USER MOD Single : A 46 MET CE :methyl -149:sc= -1.36 (180deg=-2.71!) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 50 LYS NZ :NH3+ -163:sc= -0.058 (180deg=-0.355) USER MOD Single : A 52 MET CE :methyl 140:sc= -4.06 (180deg=-5.91!) USER MOD Single : A 54 SER OG : rot -33:sc= 0.142 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 54:sc= 0.0555 USER MOD Single : A 63 THR OG1 : rot 82:sc= 1.01 USER MOD Single : A 64 HIS : no HD1:sc= -0.211 X(o=-0.21,f=0.029) USER MOD Single : A 74 SER OG : rot 180:sc= -0.776 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= -1.63! USER MOD Single : B 41 TYR OH : rot 7:sc= 0.803 USER MOD Single : B 43 MET CE :methyl 160:sc= -0.515 (180deg=-0.982) USER MOD Single : B 44 GLN : amide:sc= -0.0505 X(o=-0.05,f=-0.46) USER MOD Single : B 46 MET CE :methyl -151:sc= -1.27 (180deg=-2.54!) USER MOD Single : B 47 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 50 LYS NZ :NH3+ -162:sc= -0.0356 (180deg=-0.37) USER MOD Single : B 52 MET CE :methyl 143:sc= -4.21 (180deg=-5.98!) USER MOD Single : B 54 SER OG : rot -32:sc= 0.203 USER MOD Single : B 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 SER OG : rot 54:sc= 0.0724 USER MOD Single : B 63 THR OG1 : rot 81:sc= 0.928 USER MOD Single : B 64 HIS : no HD1:sc= -0.281 X(o=-0.28,f=0.038) USER MOD Single : B 74 SER OG : rot 180:sc= -0.772 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 130 N THR A 38 13.447 -6.218 -4.195 1.00 0.97 N ATOM 131 CA THR A 38 14.691 -5.714 -4.748 1.00 0.83 C ATOM 132 C THR A 38 15.107 -4.456 -3.999 1.00 0.72 C ATOM 133 O THR A 38 14.246 -3.747 -3.474 1.00 0.65 O ATOM 134 CB THR A 38 14.569 -5.397 -6.256 1.00 0.79 C ATOM 135 OG1 THR A 38 13.377 -4.646 -6.506 1.00 0.85 O ATOM 136 CG2 THR A 38 14.555 -6.669 -7.091 1.00 0.95 C ATOM 0 HA THR A 38 15.445 -6.493 -4.631 1.00 0.83 H new ATOM 0 HB THR A 38 15.440 -4.808 -6.544 1.00 0.79 H new ATOM 0 HG1 THR A 38 13.612 -3.781 -6.902 1.00 0.85 H new ATOM 0 HG21 THR A 38 14.468 -6.411 -8.146 1.00 0.95 H new ATOM 0 HG22 THR A 38 15.480 -7.222 -6.928 1.00 0.95 H new ATOM 0 HG23 THR A 38 13.706 -7.287 -6.798 1.00 0.95 H new ATOM 144 N PRO A 39 16.411 -4.176 -3.886 1.00 0.74 N ATOM 145 CA PRO A 39 16.887 -2.963 -3.221 1.00 0.70 C ATOM 146 C PRO A 39 16.201 -1.704 -3.747 1.00 0.62 C ATOM 147 O PRO A 39 15.648 -0.931 -2.971 1.00 0.56 O ATOM 148 CB PRO A 39 18.371 -2.930 -3.551 1.00 0.78 C ATOM 149 CG PRO A 39 18.742 -4.355 -3.786 1.00 0.87 C ATOM 150 CD PRO A 39 17.520 -5.021 -4.363 1.00 0.83 C ATOM 0 HA PRO A 39 16.675 -2.981 -2.152 1.00 0.70 H new ATOM 0 HB2 PRO A 39 18.566 -2.320 -4.433 1.00 0.78 H new ATOM 0 HB3 PRO A 39 18.949 -2.501 -2.732 1.00 0.78 H new ATOM 0 HG2 PRO A 39 19.586 -4.429 -4.472 1.00 0.87 H new ATOM 0 HG3 PRO A 39 19.045 -4.836 -2.856 1.00 0.87 H new ATOM 0 HD2 PRO A 39 17.558 -5.056 -5.452 1.00 0.83 H new ATOM 0 HD3 PRO A 39 17.420 -6.049 -4.014 1.00 0.83 H new ATOM 158 N ASP A 40 16.211 -1.527 -5.068 1.00 0.66 N ATOM 159 CA ASP A 40 15.611 -0.347 -5.702 1.00 0.64 C ATOM 160 C ASP A 40 14.148 -0.191 -5.300 1.00 0.58 C ATOM 161 O ASP A 40 13.665 0.922 -5.072 1.00 0.58 O ATOM 162 CB ASP A 40 15.726 -0.442 -7.225 1.00 0.72 C ATOM 163 CG ASP A 40 15.111 0.753 -7.930 1.00 1.44 C ATOM 164 OD1 ASP A 40 13.980 0.633 -8.439 1.00 2.22 O ATOM 165 OD2 ASP A 40 15.761 1.822 -7.975 1.00 2.15 O ATOM 0 H ASP A 40 16.629 -2.187 -5.724 1.00 0.66 H new ATOM 0 HA ASP A 40 16.157 0.531 -5.357 1.00 0.64 H new ATOM 0 HB2 ASP A 40 16.777 -0.522 -7.502 1.00 0.72 H new ATOM 0 HB3 ASP A 40 15.236 -1.353 -7.567 1.00 0.72 H new ATOM 170 N TYR A 41 13.456 -1.316 -5.196 1.00 0.57 N ATOM 171 CA TYR A 41 12.067 -1.355 -4.763 1.00 0.54 C ATOM 172 C TYR A 41 11.949 -0.819 -3.342 1.00 0.46 C ATOM 173 O TYR A 41 11.047 -0.040 -3.023 1.00 0.43 O ATOM 174 CB TYR A 41 11.611 -2.818 -4.812 1.00 0.61 C ATOM 175 CG TYR A 41 10.125 -3.072 -4.685 1.00 0.63 C ATOM 176 CD1 TYR A 41 9.474 -3.005 -3.458 1.00 0.64 C ATOM 177 CD2 TYR A 41 9.387 -3.436 -5.801 1.00 0.83 C ATOM 178 CE1 TYR A 41 8.126 -3.298 -3.351 1.00 0.69 C ATOM 179 CE2 TYR A 41 8.044 -3.719 -5.704 1.00 0.88 C ATOM 180 CZ TYR A 41 7.419 -3.655 -4.479 1.00 0.73 C ATOM 181 OH TYR A 41 6.086 -3.964 -4.390 1.00 0.81 O ATOM 0 H TYR A 41 13.845 -2.234 -5.411 1.00 0.57 H new ATOM 0 HA TYR A 41 11.445 -0.737 -5.411 1.00 0.54 H new ATOM 0 HB2 TYR A 41 11.950 -3.249 -5.754 1.00 0.61 H new ATOM 0 HB3 TYR A 41 12.118 -3.359 -4.013 1.00 0.61 H new ATOM 0 HD1 TYR A 41 10.028 -2.720 -2.576 1.00 0.64 H new ATOM 0 HD2 TYR A 41 9.875 -3.498 -6.763 1.00 0.83 H new ATOM 0 HE1 TYR A 41 7.632 -3.247 -2.392 1.00 0.69 H new ATOM 0 HE2 TYR A 41 7.482 -3.990 -6.586 1.00 0.88 H new ATOM 0 HH TYR A 41 5.778 -3.820 -3.471 1.00 0.81 H new ATOM 191 N LEU A 42 12.893 -1.222 -2.503 1.00 0.44 N ATOM 192 CA LEU A 42 12.851 -0.903 -1.085 1.00 0.39 C ATOM 193 C LEU A 42 13.378 0.504 -0.810 1.00 0.37 C ATOM 194 O LEU A 42 12.918 1.172 0.114 1.00 0.34 O ATOM 195 CB LEU A 42 13.656 -1.942 -0.295 1.00 0.43 C ATOM 196 CG LEU A 42 13.722 -1.719 1.219 1.00 0.41 C ATOM 197 CD1 LEU A 42 12.328 -1.658 1.819 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.536 -2.818 1.880 1.00 0.48 C ATOM 0 H LEU A 42 13.703 -1.775 -2.784 1.00 0.44 H new ATOM 0 HA LEU A 42 11.811 -0.931 -0.761 1.00 0.39 H new ATOM 0 HB2 LEU A 42 13.225 -2.926 -0.480 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.673 -1.960 -0.686 1.00 0.43 H new ATOM 0 HG LEU A 42 14.212 -0.763 1.402 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.402 -1.499 2.895 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.773 -0.835 1.368 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.807 -2.596 1.626 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.574 -2.646 2.956 1.00 0.48 H new ATOM 0 HD22 LEU A 42 14.071 -3.784 1.683 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.548 -2.814 1.476 1.00 0.48 H new ATOM 210 N MET A 43 14.307 0.974 -1.632 1.00 0.40 N ATOM 211 CA MET A 43 14.940 2.266 -1.394 1.00 0.40 C ATOM 212 C MET A 43 13.951 3.376 -1.693 1.00 0.37 C ATOM 213 O MET A 43 13.924 4.409 -1.020 1.00 0.36 O ATOM 214 CB MET A 43 16.190 2.448 -2.261 1.00 0.47 C ATOM 215 CG MET A 43 17.283 1.408 -2.046 1.00 0.63 C ATOM 216 SD MET A 43 17.806 1.254 -0.325 1.00 0.85 S ATOM 217 CE MET A 43 16.896 -0.205 0.183 1.00 0.55 C ATOM 0 H MET A 43 14.638 0.485 -2.464 1.00 0.40 H new ATOM 0 HA MET A 43 15.245 2.306 -0.348 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.892 2.428 -3.309 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.607 3.436 -2.067 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.925 0.440 -2.396 1.00 0.63 H new ATOM 0 HG3 MET A 43 18.147 1.669 -2.657 1.00 0.63 H new ATOM 0 HE1 MET A 43 17.362 -0.634 1.070 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.866 0.069 0.410 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.906 -0.939 -0.623 1.00 0.55 H new ATOM 227 N GLN A 44 13.122 3.141 -2.696 1.00 0.36 N ATOM 228 CA GLN A 44 12.093 4.099 -3.064 1.00 0.35 C ATOM 229 C GLN A 44 11.005 4.117 -2.004 1.00 0.30 C ATOM 230 O GLN A 44 10.461 5.171 -1.675 1.00 0.30 O ATOM 231 CB GLN A 44 11.501 3.776 -4.434 1.00 0.42 C ATOM 232 CG GLN A 44 12.440 4.093 -5.585 1.00 0.52 C ATOM 233 CD GLN A 44 11.810 3.832 -6.937 1.00 0.64 C ATOM 234 OE1 GLN A 44 11.162 4.707 -7.511 1.00 0.91 O ATOM 235 NE2 GLN A 44 12.005 2.635 -7.459 1.00 0.75 N ATOM 0 H GLN A 44 13.141 2.297 -3.269 1.00 0.36 H new ATOM 0 HA GLN A 44 12.549 5.087 -3.126 1.00 0.35 H new ATOM 0 HB2 GLN A 44 11.239 2.718 -4.469 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.576 4.338 -4.564 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.743 5.138 -5.525 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.345 3.493 -5.487 1.00 0.52 H new ATOM 0 HE21 GLN A 44 12.549 1.939 -6.949 1.00 0.75 H new ATOM 0 HE22 GLN A 44 11.612 2.407 -8.372 1.00 0.75 H new ATOM 244 N LEU A 45 10.702 2.942 -1.459 1.00 0.27 N ATOM 245 CA LEU A 45 9.743 2.822 -0.369 1.00 0.25 C ATOM 246 C LEU A 45 10.187 3.592 0.862 1.00 0.23 C ATOM 247 O LEU A 45 9.362 4.179 1.565 1.00 0.23 O ATOM 248 CB LEU A 45 9.559 1.355 0.009 1.00 0.29 C ATOM 249 CG LEU A 45 8.509 0.594 -0.788 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.487 -0.870 -0.373 1.00 0.38 C ATOM 251 CD2 LEU A 45 7.147 1.226 -0.572 1.00 0.31 C ATOM 0 H LEU A 45 11.110 2.056 -1.758 1.00 0.27 H new ATOM 0 HA LEU A 45 8.801 3.244 -0.721 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.516 0.846 -0.107 1.00 0.29 H new ATOM 0 HB3 LEU A 45 9.296 1.301 1.065 1.00 0.29 H new ATOM 0 HG LEU A 45 8.760 0.645 -1.847 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.731 -1.401 -0.952 1.00 0.38 H new ATOM 0 HD12 LEU A 45 9.465 -1.315 -0.558 1.00 0.38 H new ATOM 0 HD13 LEU A 45 8.249 -0.944 0.688 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.397 0.679 -1.144 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.893 1.190 0.487 1.00 0.31 H new ATOM 0 HD23 LEU A 45 7.171 2.264 -0.904 1.00 0.31 H new ATOM 263 N MET A 46 11.490 3.593 1.118 1.00 0.26 N ATOM 264 CA MET A 46 12.025 4.235 2.311 1.00 0.28 C ATOM 265 C MET A 46 11.716 5.717 2.304 1.00 0.27 C ATOM 266 O MET A 46 11.458 6.307 3.352 1.00 0.41 O ATOM 267 CB MET A 46 13.534 4.041 2.427 1.00 0.33 C ATOM 268 CG MET A 46 13.963 2.599 2.608 1.00 0.39 C ATOM 269 SD MET A 46 15.677 2.453 3.155 1.00 0.49 S ATOM 270 CE MET A 46 16.503 3.522 1.977 1.00 0.49 C ATOM 0 H MET A 46 12.192 3.159 0.519 1.00 0.26 H new ATOM 0 HA MET A 46 11.546 3.763 3.169 1.00 0.28 H new ATOM 0 HB2 MET A 46 14.010 4.440 1.531 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.900 4.626 3.271 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.310 2.117 3.336 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.839 2.065 1.666 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.513 3.153 1.796 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.946 3.529 1.040 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.553 4.535 2.377 1.00 0.49 H new ATOM 280 N ASN A 47 11.718 6.320 1.123 1.00 0.24 N ATOM 281 CA ASN A 47 11.468 7.746 1.009 1.00 0.30 C ATOM 282 C ASN A 47 9.971 8.021 1.004 1.00 0.26 C ATOM 283 O ASN A 47 9.539 9.109 1.368 1.00 0.27 O ATOM 284 CB ASN A 47 12.101 8.298 -0.269 1.00 0.42 C ATOM 285 CG ASN A 47 12.004 9.812 -0.363 1.00 0.80 C ATOM 286 OD1 ASN A 47 12.057 10.515 0.647 1.00 1.61 O ATOM 287 ND2 ASN A 47 11.862 10.322 -1.574 1.00 1.42 N ATOM 0 H ASN A 47 11.889 5.845 0.237 1.00 0.24 H new ATOM 0 HA ASN A 47 11.917 8.244 1.868 1.00 0.30 H new ATOM 0 HB2 ASN A 47 13.149 8.002 -0.308 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.611 7.852 -1.135 1.00 0.42 H new ATOM 0 HD21 ASN A 47 11.792 11.332 -1.697 1.00 1.42 H new ATOM 0 HD22 ASN A 47 11.822 9.705 -2.386 1.00 1.42 H new ATOM 294 N ASP A 48 9.176 7.022 0.633 1.00 0.24 N ATOM 295 CA ASP A 48 7.725 7.185 0.583 1.00 0.24 C ATOM 296 C ASP A 48 7.170 7.277 1.998 1.00 0.25 C ATOM 297 O ASP A 48 6.459 8.222 2.344 1.00 0.30 O ATOM 298 CB ASP A 48 7.060 6.008 -0.143 1.00 0.25 C ATOM 299 CG ASP A 48 7.027 6.144 -1.655 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.582 7.121 -2.195 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.422 5.269 -2.314 1.00 0.74 O ATOM 0 H ASP A 48 9.508 6.096 0.364 1.00 0.24 H new ATOM 0 HA ASP A 48 7.506 8.101 0.034 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.589 5.091 0.116 1.00 0.25 H new ATOM 0 HB3 ASP A 48 6.039 5.901 0.223 1.00 0.25 H new ATOM 306 N LYS A 49 7.544 6.297 2.821 1.00 0.22 N ATOM 307 CA LYS A 49 7.114 6.242 4.214 1.00 0.27 C ATOM 308 C LYS A 49 7.686 7.435 4.983 1.00 0.32 C ATOM 309 O LYS A 49 7.111 7.905 5.959 1.00 0.44 O ATOM 310 CB LYS A 49 7.581 4.932 4.859 1.00 0.31 C ATOM 311 CG LYS A 49 6.595 4.327 5.855 1.00 0.59 C ATOM 312 CD LYS A 49 6.158 5.335 6.905 1.00 0.92 C ATOM 313 CE LYS A 49 5.631 4.654 8.157 1.00 1.45 C ATOM 314 NZ LYS A 49 5.188 5.638 9.182 1.00 2.10 N ATOM 0 H LYS A 49 8.149 5.525 2.541 1.00 0.22 H new ATOM 0 HA LYS A 49 6.025 6.284 4.249 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.775 4.204 4.072 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.528 5.110 5.368 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.720 3.958 5.320 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.055 3.469 6.345 1.00 0.59 H new ATOM 0 HD2 LYS A 49 7.000 5.975 7.167 1.00 0.92 H new ATOM 0 HD3 LYS A 49 5.384 5.980 6.489 1.00 0.92 H new ATOM 0 HE2 LYS A 49 4.796 4.005 7.893 1.00 1.45 H new ATOM 0 HE3 LYS A 49 6.409 4.017 8.578 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 5.589 5.380 10.107 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 5.516 6.588 8.915 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 4.150 5.634 9.241 1.00 2.10 H new ATOM 328 N LYS A 50 8.794 7.959 4.495 1.00 0.30 N ATOM 329 CA LYS A 50 9.466 9.062 5.157 1.00 0.37 C ATOM 330 C LYS A 50 8.785 10.372 4.785 1.00 0.39 C ATOM 331 O LYS A 50 8.507 11.210 5.646 1.00 0.43 O ATOM 332 CB LYS A 50 10.942 9.093 4.756 1.00 0.42 C ATOM 333 CG LYS A 50 11.719 10.251 5.356 1.00 1.14 C ATOM 334 CD LYS A 50 13.177 10.216 4.930 1.00 1.67 C ATOM 335 CE LYS A 50 13.933 11.439 5.419 1.00 2.35 C ATOM 336 NZ LYS A 50 13.377 12.699 4.858 1.00 3.05 N ATOM 0 H LYS A 50 9.249 7.638 3.640 1.00 0.30 H new ATOM 0 HA LYS A 50 9.405 8.927 6.237 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.411 8.157 5.061 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.012 9.146 3.670 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.269 11.194 5.045 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.654 10.211 6.443 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.649 9.315 5.322 1.00 1.67 H new ATOM 0 HD3 LYS A 50 13.238 10.161 3.843 1.00 1.67 H new ATOM 0 HE2 LYS A 50 13.893 11.478 6.508 1.00 2.35 H new ATOM 0 HE3 LYS A 50 14.983 11.351 5.141 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.071 13.466 4.972 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 13.170 12.567 3.847 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 12.501 12.947 5.362 1.00 3.05 H new ATOM 350 N LEU A 51 8.504 10.526 3.498 1.00 0.38 N ATOM 351 CA LEU A 51 7.867 11.725 2.980 1.00 0.44 C ATOM 352 C LEU A 51 6.453 11.862 3.532 1.00 0.42 C ATOM 353 O LEU A 51 6.026 12.963 3.876 1.00 0.47 O ATOM 354 CB LEU A 51 7.857 11.683 1.442 1.00 0.48 C ATOM 355 CG LEU A 51 7.547 13.005 0.724 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.134 12.989 -0.678 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.047 13.247 0.646 1.00 1.22 C ATOM 0 H LEU A 51 8.711 9.824 2.787 1.00 0.38 H new ATOM 0 HA LEU A 51 8.435 12.598 3.302 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.832 11.331 1.104 1.00 0.48 H new ATOM 0 HB3 LEU A 51 7.123 10.942 1.125 1.00 0.48 H new ATOM 0 HG LEU A 51 7.999 13.814 1.299 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.908 13.931 -1.178 1.00 1.10 H new ATOM 0 HD12 LEU A 51 9.215 12.860 -0.619 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.701 12.165 -1.245 1.00 1.10 H new ATOM 0 HD21 LEU A 51 5.857 14.190 0.133 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.575 12.433 0.096 1.00 1.22 H new ATOM 0 HD23 LEU A 51 5.633 13.292 1.653 1.00 1.22 H new ATOM 369 N MET A 52 5.735 10.744 3.652 1.00 0.39 N ATOM 370 CA MET A 52 4.360 10.776 4.141 1.00 0.37 C ATOM 371 C MET A 52 4.318 11.184 5.612 1.00 0.41 C ATOM 372 O MET A 52 3.387 11.856 6.050 1.00 0.47 O ATOM 373 CB MET A 52 3.684 9.409 3.953 1.00 0.33 C ATOM 374 CG MET A 52 4.279 8.299 4.804 1.00 1.29 C ATOM 375 SD MET A 52 3.490 6.697 4.541 1.00 1.25 S ATOM 376 CE MET A 52 3.771 6.456 2.787 1.00 0.31 C ATOM 0 H MET A 52 6.081 9.813 3.419 1.00 0.39 H new ATOM 0 HA MET A 52 3.814 11.518 3.559 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.624 9.504 4.189 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.752 9.123 2.903 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.343 8.213 4.584 1.00 1.29 H new ATOM 0 HG3 MET A 52 4.192 8.571 5.856 1.00 1.29 H new ATOM 0 HE1 MET A 52 4.024 5.413 2.599 1.00 0.31 H new ATOM 0 HE2 MET A 52 2.868 6.715 2.235 1.00 0.31 H new ATOM 0 HE3 MET A 52 4.592 7.094 2.459 1.00 0.31 H new ATOM 386 N SER A 53 5.344 10.803 6.364 1.00 0.40 N ATOM 387 CA SER A 53 5.425 11.145 7.774 1.00 0.47 C ATOM 388 C SER A 53 5.912 12.580 7.952 1.00 0.50 C ATOM 389 O SER A 53 5.902 13.125 9.057 1.00 0.62 O ATOM 390 CB SER A 53 6.351 10.165 8.493 1.00 0.52 C ATOM 391 OG SER A 53 5.817 8.851 8.454 1.00 1.15 O ATOM 0 H SER A 53 6.132 10.256 6.017 1.00 0.40 H new ATOM 0 HA SER A 53 4.430 11.072 8.213 1.00 0.47 H new ATOM 0 HB2 SER A 53 7.335 10.177 8.025 1.00 0.52 H new ATOM 0 HB3 SER A 53 6.486 10.478 9.528 1.00 0.52 H new ATOM 0 HG SER A 53 6.167 8.379 7.670 1.00 1.15 H new ATOM 397 N SER A 54 6.331 13.191 6.853 1.00 0.49 N ATOM 398 CA SER A 54 6.756 14.579 6.862 1.00 0.53 C ATOM 399 C SER A 54 5.575 15.471 6.491 1.00 0.53 C ATOM 400 O SER A 54 5.662 16.697 6.532 1.00 0.53 O ATOM 401 CB SER A 54 7.918 14.778 5.881 1.00 0.60 C ATOM 402 OG SER A 54 8.494 16.066 6.009 1.00 1.30 O ATOM 0 H SER A 54 6.385 12.742 5.939 1.00 0.49 H new ATOM 0 HA SER A 54 7.103 14.850 7.859 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.680 14.019 6.059 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.561 14.638 4.861 1.00 0.60 H new ATOM 0 HG SER A 54 7.798 16.713 6.250 1.00 1.30 H new ATOM 408 N LEU A 55 4.467 14.832 6.141 1.00 0.54 N ATOM 409 CA LEU A 55 3.256 15.541 5.759 1.00 0.57 C ATOM 410 C LEU A 55 2.206 15.440 6.861 1.00 0.65 C ATOM 411 O LEU A 55 1.605 14.383 7.052 1.00 0.65 O ATOM 412 CB LEU A 55 2.680 14.963 4.463 1.00 0.51 C ATOM 413 CG LEU A 55 3.625 14.942 3.258 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.932 14.315 2.060 1.00 0.56 C ATOM 415 CD2 LEU A 55 4.107 16.344 2.921 1.00 0.64 C ATOM 0 H LEU A 55 4.383 13.816 6.114 1.00 0.54 H new ATOM 0 HA LEU A 55 3.517 16.588 5.603 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.350 13.943 4.659 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.794 15.538 4.195 1.00 0.51 H new ATOM 0 HG LEU A 55 4.496 14.339 3.515 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.613 14.306 1.209 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.640 13.293 2.302 1.00 0.56 H new ATOM 0 HD13 LEU A 55 2.045 14.896 1.808 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.777 16.302 2.062 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.251 16.976 2.683 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.639 16.761 3.776 1.00 0.64 H new ATOM 427 N PRO A 56 1.961 16.534 7.601 1.00 0.81 N ATOM 428 CA PRO A 56 0.923 16.572 8.640 1.00 0.94 C ATOM 429 C PRO A 56 -0.483 16.473 8.048 1.00 0.88 C ATOM 430 O PRO A 56 -1.467 16.297 8.766 1.00 1.19 O ATOM 431 CB PRO A 56 1.125 17.937 9.316 1.00 1.14 C ATOM 432 CG PRO A 56 2.470 18.406 8.871 1.00 1.26 C ATOM 433 CD PRO A 56 2.684 17.810 7.510 1.00 0.98 C ATOM 0 HA PRO A 56 1.009 15.732 9.329 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.346 18.640 9.021 1.00 1.14 H new ATOM 0 HB3 PRO A 56 1.079 17.848 10.401 1.00 1.14 H new ATOM 0 HG2 PRO A 56 2.511 19.495 8.832 1.00 1.26 H new ATOM 0 HG3 PRO A 56 3.246 18.083 9.565 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.284 18.447 6.721 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.742 17.662 7.294 1.00 0.98 H new ATOM 441 N ASN A 57 -0.556 16.575 6.727 1.00 0.63 N ATOM 442 CA ASN A 57 -1.822 16.471 6.014 1.00 0.62 C ATOM 443 C ASN A 57 -2.083 15.030 5.608 1.00 0.57 C ATOM 444 O ASN A 57 -3.234 14.611 5.478 1.00 0.59 O ATOM 445 CB ASN A 57 -1.833 17.369 4.774 1.00 0.68 C ATOM 446 CG ASN A 57 -2.003 18.836 5.112 1.00 1.32 C ATOM 447 OD1 ASN A 57 -3.127 19.331 5.225 1.00 2.22 O ATOM 448 ND2 ASN A 57 -0.896 19.548 5.258 1.00 1.73 N ATOM 0 H ASN A 57 0.252 16.731 6.125 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.612 16.803 6.687 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -0.901 17.233 4.225 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -2.641 17.057 4.113 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -0.954 20.544 5.472 1.00 1.73 H new ATOM 0 HD22 ASN A 57 0.015 19.101 5.157 1.00 1.73 H new ATOM 455 N PHE A 58 -1.001 14.274 5.427 1.00 0.62 N ATOM 456 CA PHE A 58 -1.082 12.881 5.002 1.00 0.70 C ATOM 457 C PHE A 58 -1.909 12.061 5.982 1.00 0.90 C ATOM 458 O PHE A 58 -2.838 11.351 5.584 1.00 1.77 O ATOM 459 CB PHE A 58 0.323 12.285 4.874 1.00 0.69 C ATOM 460 CG PHE A 58 0.338 10.799 4.655 1.00 0.65 C ATOM 461 CD1 PHE A 58 0.200 10.270 3.385 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.490 9.932 5.725 1.00 1.13 C ATOM 463 CE1 PHE A 58 0.210 8.902 3.184 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.501 8.568 5.532 1.00 1.15 C ATOM 465 CZ PHE A 58 0.360 8.050 4.259 1.00 0.69 C ATOM 0 H PHE A 58 -0.049 14.610 5.571 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.573 12.850 4.029 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.838 12.770 4.044 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.888 12.515 5.778 1.00 0.69 H new ATOM 0 HD1 PHE A 58 0.083 10.933 2.540 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.601 10.330 6.723 1.00 1.13 H new ATOM 0 HE1 PHE A 58 0.101 8.501 2.187 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.620 7.904 6.375 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.367 6.981 4.106 1.00 0.69 H new ATOM 475 N SER A 59 -1.556 12.156 7.256 1.00 0.91 N ATOM 476 CA SER A 59 -2.280 11.475 8.314 1.00 1.02 C ATOM 477 C SER A 59 -3.691 12.047 8.463 1.00 1.10 C ATOM 478 O SER A 59 -3.961 12.858 9.349 1.00 1.84 O ATOM 479 CB SER A 59 -1.497 11.608 9.618 1.00 1.21 C ATOM 480 OG SER A 59 -1.032 12.939 9.788 1.00 1.84 O ATOM 0 H SER A 59 -0.762 12.706 7.582 1.00 0.91 H new ATOM 0 HA SER A 59 -2.381 10.420 8.061 1.00 1.02 H new ATOM 0 HB2 SER A 59 -2.131 11.328 10.459 1.00 1.21 H new ATOM 0 HB3 SER A 59 -0.652 10.920 9.613 1.00 1.21 H new ATOM 0 HG SER A 59 -1.787 13.560 9.722 1.00 1.84 H new ATOM 486 N GLY A 60 -4.578 11.629 7.573 1.00 0.91 N ATOM 487 CA GLY A 60 -5.938 12.112 7.591 1.00 0.87 C ATOM 488 C GLY A 60 -6.597 11.988 6.233 1.00 0.66 C ATOM 489 O GLY A 60 -7.794 11.720 6.142 1.00 0.73 O ATOM 0 H GLY A 60 -4.375 10.957 6.833 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.513 11.550 8.327 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -5.949 13.155 7.906 1.00 0.87 H new ATOM 493 N ILE A 61 -5.817 12.178 5.173 1.00 0.50 N ATOM 494 CA ILE A 61 -6.355 12.086 3.820 1.00 0.54 C ATOM 495 C ILE A 61 -6.320 10.663 3.288 1.00 0.73 C ATOM 496 O ILE A 61 -7.078 10.322 2.383 1.00 1.81 O ATOM 497 CB ILE A 61 -5.628 13.013 2.817 1.00 0.58 C ATOM 498 CG1 ILE A 61 -4.104 12.904 2.955 1.00 0.64 C ATOM 499 CG2 ILE A 61 -6.084 14.452 2.992 1.00 0.79 C ATOM 500 CD1 ILE A 61 -3.345 13.833 2.028 1.00 0.78 C ATOM 0 H ILE A 61 -4.821 12.394 5.223 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.390 12.416 3.905 1.00 0.54 H new ATOM 0 HB ILE A 61 -5.891 12.687 1.811 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.824 13.123 3.985 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.801 11.876 2.754 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -5.562 15.089 2.278 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -7.158 14.517 2.818 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -5.860 14.784 4.006 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -2.273 13.703 2.180 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -3.596 13.600 0.993 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -3.619 14.866 2.244 1.00 0.78 H new ATOM 512 N PHE A 62 -5.445 9.825 3.833 1.00 0.58 N ATOM 513 CA PHE A 62 -5.338 8.447 3.378 1.00 0.50 C ATOM 514 C PHE A 62 -5.483 7.505 4.573 1.00 0.51 C ATOM 515 O PHE A 62 -4.879 7.724 5.625 1.00 0.76 O ATOM 516 CB PHE A 62 -3.985 8.220 2.701 1.00 0.50 C ATOM 517 CG PHE A 62 -3.686 9.170 1.572 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.522 9.264 0.471 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.552 9.957 1.610 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.230 10.128 -0.566 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.256 10.823 0.580 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.095 10.908 -0.509 1.00 0.59 C ATOM 0 H PHE A 62 -4.804 10.075 4.586 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.130 8.245 2.657 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.198 8.307 3.451 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.950 7.200 2.320 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.412 8.655 0.423 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.888 9.893 2.459 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -4.889 10.192 -1.419 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.367 11.435 0.627 1.00 0.68 H new ATOM 0 HZ PHE A 62 -2.864 11.585 -1.318 1.00 0.59 H new ATOM 532 N THR A 63 -6.286 6.465 4.405 1.00 0.34 N ATOM 533 CA THR A 63 -6.612 5.556 5.495 1.00 0.38 C ATOM 534 C THR A 63 -5.639 4.373 5.578 1.00 0.30 C ATOM 535 O THR A 63 -4.983 4.165 6.595 1.00 0.38 O ATOM 536 CB THR A 63 -8.045 5.021 5.323 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.931 6.104 4.999 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.528 4.328 6.586 1.00 0.66 C ATOM 0 H THR A 63 -6.727 6.228 3.517 1.00 0.34 H new ATOM 0 HA THR A 63 -6.528 6.124 6.421 1.00 0.38 H new ATOM 0 HB THR A 63 -8.041 4.292 4.513 1.00 0.48 H new ATOM 0 HG1 THR A 63 -8.873 6.299 4.040 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.543 3.961 6.434 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.870 3.490 6.816 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.518 5.035 7.415 1.00 0.66 H new ATOM 546 N HIS A 64 -5.551 3.606 4.497 1.00 0.26 N ATOM 547 CA HIS A 64 -4.795 2.346 4.509 1.00 0.25 C ATOM 548 C HIS A 64 -3.368 2.528 4.017 1.00 0.25 C ATOM 549 O HIS A 64 -2.523 1.655 4.209 1.00 0.54 O ATOM 550 CB HIS A 64 -5.488 1.278 3.664 1.00 0.33 C ATOM 551 CG HIS A 64 -6.667 0.658 4.338 1.00 0.43 C ATOM 552 ND1 HIS A 64 -6.667 -0.628 4.824 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.890 1.159 4.606 1.00 0.71 C ATOM 554 CE1 HIS A 64 -7.841 -0.890 5.363 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.606 0.178 5.248 1.00 0.68 N ATOM 0 H HIS A 64 -5.989 3.828 3.603 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.760 2.019 5.548 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -5.810 1.723 2.723 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -4.768 0.497 3.418 1.00 0.33 H new ATOM 0 HD2 HIS A 64 -8.242 2.150 4.361 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.129 -1.824 5.822 1.00 0.83 H new ATOM 0 HE2 HIS A 64 -9.567 0.262 5.580 1.00 0.68 H new ATOM 564 N LEU A 65 -3.109 3.669 3.406 1.00 0.32 N ATOM 565 CA LEU A 65 -1.882 3.886 2.645 1.00 0.22 C ATOM 566 C LEU A 65 -0.614 3.702 3.484 1.00 0.20 C ATOM 567 O LEU A 65 0.337 3.063 3.033 1.00 0.24 O ATOM 568 CB LEU A 65 -1.909 5.276 1.996 1.00 0.29 C ATOM 569 CG LEU A 65 -2.729 5.391 0.697 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.137 4.515 -0.390 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.186 5.011 0.919 1.00 0.99 C ATOM 0 H LEU A 65 -3.738 4.472 3.420 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.846 3.121 1.869 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.308 5.987 2.720 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.883 5.578 1.784 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.689 6.434 0.382 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.731 4.611 -1.299 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.112 4.828 -0.592 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.141 3.476 -0.062 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.733 5.104 -0.019 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.244 3.981 1.272 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.626 5.675 1.663 1.00 0.99 H new ATOM 583 N GLU A 66 -0.601 4.230 4.704 1.00 0.30 N ATOM 584 CA GLU A 66 0.595 4.147 5.537 1.00 0.40 C ATOM 585 C GLU A 66 0.863 2.715 5.979 1.00 0.38 C ATOM 586 O GLU A 66 2.009 2.258 5.969 1.00 0.38 O ATOM 587 CB GLU A 66 0.480 5.047 6.765 1.00 0.53 C ATOM 588 CG GLU A 66 1.693 4.962 7.678 1.00 0.88 C ATOM 589 CD GLU A 66 1.583 5.844 8.899 1.00 1.12 C ATOM 590 OE1 GLU A 66 0.508 5.866 9.533 1.00 1.75 O ATOM 591 OE2 GLU A 66 2.585 6.501 9.247 1.00 1.75 O ATOM 0 H GLU A 66 -1.391 4.712 5.133 1.00 0.30 H new ATOM 0 HA GLU A 66 1.431 4.489 4.927 1.00 0.40 H new ATOM 0 HB2 GLU A 66 0.347 6.079 6.441 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -0.412 4.772 7.328 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.828 3.928 7.996 1.00 0.88 H new ATOM 0 HG3 GLU A 66 2.583 5.242 7.115 1.00 0.88 H new ATOM 598 N ARG A 67 -0.191 1.999 6.352 1.00 0.42 N ATOM 599 CA ARG A 67 -0.030 0.642 6.855 1.00 0.44 C ATOM 600 C ARG A 67 0.475 -0.260 5.743 1.00 0.39 C ATOM 601 O ARG A 67 1.224 -1.204 5.983 1.00 0.40 O ATOM 602 CB ARG A 67 -1.345 0.089 7.401 1.00 0.54 C ATOM 603 CG ARG A 67 -1.146 -1.063 8.375 1.00 0.74 C ATOM 604 CD ARG A 67 -2.374 -1.952 8.455 1.00 0.86 C ATOM 605 NE ARG A 67 -2.468 -2.833 7.297 1.00 1.08 N ATOM 606 CZ ARG A 67 -3.474 -3.666 7.060 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.512 -3.729 7.887 1.00 1.71 N ATOM 608 NH2 ARG A 67 -3.431 -4.441 5.989 1.00 2.07 N ATOM 0 H ARG A 67 -1.155 2.331 6.316 1.00 0.42 H new ATOM 0 HA ARG A 67 0.693 0.669 7.670 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.890 0.890 7.900 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -1.964 -0.248 6.570 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -0.287 -1.657 8.064 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.919 -0.667 9.365 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.334 -2.549 9.366 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.269 -1.334 8.518 1.00 0.86 H new ATOM 0 HE ARG A 67 -1.706 -2.807 6.620 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -4.542 -3.133 8.714 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.279 -4.373 7.694 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -2.632 -4.394 5.357 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.197 -5.086 5.795 1.00 2.07 H new ATOM 622 N LEU A 68 0.076 0.059 4.519 1.00 0.35 N ATOM 623 CA LEU A 68 0.485 -0.707 3.352 1.00 0.34 C ATOM 624 C LEU A 68 1.985 -0.579 3.094 1.00 0.31 C ATOM 625 O LEU A 68 2.577 -1.437 2.451 1.00 0.40 O ATOM 626 CB LEU A 68 -0.328 -0.283 2.129 1.00 0.33 C ATOM 627 CG LEU A 68 -1.692 -0.961 2.008 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.505 -0.337 0.890 1.00 0.37 C ATOM 629 CD2 LEU A 68 -1.519 -2.451 1.765 1.00 0.61 C ATOM 0 H LEU A 68 -0.535 0.849 4.309 1.00 0.35 H new ATOM 0 HA LEU A 68 0.285 -1.760 3.550 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.475 0.797 2.163 1.00 0.33 H new ATOM 0 HB3 LEU A 68 0.251 -0.498 1.231 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.231 -0.817 2.945 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.472 -0.835 0.822 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.656 0.722 1.098 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.972 -0.449 -0.054 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -2.498 -2.922 1.681 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -0.961 -2.607 0.842 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -0.974 -2.895 2.598 1.00 0.61 H new ATOM 641 N LEU A 69 2.607 0.467 3.630 1.00 0.27 N ATOM 642 CA LEU A 69 4.062 0.579 3.563 1.00 0.24 C ATOM 643 C LEU A 69 4.672 -0.186 4.728 1.00 0.25 C ATOM 644 O LEU A 69 5.725 -0.823 4.612 1.00 0.26 O ATOM 645 CB LEU A 69 4.548 2.037 3.596 1.00 0.25 C ATOM 646 CG LEU A 69 4.577 2.777 2.251 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.878 3.532 2.090 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.380 1.822 1.086 1.00 0.30 C ATOM 0 H LEU A 69 2.138 1.237 4.107 1.00 0.27 H new ATOM 0 HA LEU A 69 4.381 0.157 2.610 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.908 2.595 4.279 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.554 2.053 4.016 1.00 0.25 H new ATOM 0 HG LEU A 69 3.750 3.487 2.248 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.881 4.051 1.131 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.979 4.259 2.896 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.712 2.831 2.126 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.406 2.380 0.150 1.00 0.30 H new ATOM 0 HD22 LEU A 69 5.176 1.078 1.087 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.416 1.323 1.184 1.00 0.30 H new ATOM 660 N ASP A 70 3.962 -0.180 5.840 1.00 0.29 N ATOM 661 CA ASP A 70 4.436 -0.847 7.036 1.00 0.35 C ATOM 662 C ASP A 70 4.463 -2.342 6.780 1.00 0.38 C ATOM 663 O ASP A 70 5.328 -3.056 7.280 1.00 0.43 O ATOM 664 CB ASP A 70 3.543 -0.503 8.229 1.00 0.43 C ATOM 665 CG ASP A 70 3.961 -1.200 9.508 1.00 0.91 C ATOM 666 OD1 ASP A 70 3.364 -2.239 9.854 1.00 1.62 O ATOM 667 OD2 ASP A 70 4.879 -0.697 10.191 1.00 1.56 O ATOM 0 H ASP A 70 3.056 0.279 5.939 1.00 0.29 H new ATOM 0 HA ASP A 70 5.444 -0.508 7.277 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.560 0.575 8.388 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.514 -0.775 7.994 1.00 0.43 H new ATOM 672 N GLU A 71 3.515 -2.806 5.973 1.00 0.42 N ATOM 673 CA GLU A 71 3.514 -4.175 5.496 1.00 0.50 C ATOM 674 C GLU A 71 4.522 -4.362 4.371 1.00 0.45 C ATOM 675 O GLU A 71 5.355 -5.251 4.440 1.00 0.48 O ATOM 676 CB GLU A 71 2.136 -4.551 4.973 1.00 0.61 C ATOM 677 CG GLU A 71 1.025 -4.405 5.990 1.00 0.94 C ATOM 678 CD GLU A 71 -0.339 -4.519 5.352 1.00 1.47 C ATOM 679 OE1 GLU A 71 -1.000 -3.476 5.175 1.00 2.14 O ATOM 680 OE2 GLU A 71 -0.749 -5.646 5.011 1.00 2.18 O ATOM 0 H GLU A 71 2.733 -2.245 5.636 1.00 0.42 H new ATOM 0 HA GLU A 71 3.785 -4.815 6.336 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.906 -3.929 4.108 1.00 0.61 H new ATOM 0 HB3 GLU A 71 2.161 -5.584 4.625 1.00 0.61 H new ATOM 0 HG2 GLU A 71 1.132 -5.171 6.758 1.00 0.94 H new ATOM 0 HG3 GLU A 71 1.113 -3.440 6.489 1.00 0.94 H new ATOM 687 N GLU A 72 4.453 -3.506 3.346 1.00 0.43 N ATOM 688 CA GLU A 72 5.260 -3.684 2.135 1.00 0.45 C ATOM 689 C GLU A 72 6.743 -3.573 2.457 1.00 0.42 C ATOM 690 O GLU A 72 7.532 -4.453 2.130 1.00 0.47 O ATOM 691 CB GLU A 72 4.902 -2.637 1.079 1.00 0.46 C ATOM 692 CG GLU A 72 5.526 -2.915 -0.279 1.00 0.57 C ATOM 693 CD GLU A 72 4.812 -4.019 -1.033 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.465 -3.801 -2.207 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.578 -5.096 -0.445 1.00 1.33 O ATOM 0 H GLU A 72 3.848 -2.685 3.331 1.00 0.43 H new ATOM 0 HA GLU A 72 5.045 -4.678 1.742 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.818 -2.595 0.971 1.00 0.46 H new ATOM 0 HB3 GLU A 72 5.226 -1.656 1.426 1.00 0.46 H new ATOM 0 HG2 GLU A 72 5.510 -2.003 -0.876 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.572 -3.190 -0.145 1.00 0.57 H new ATOM 702 N ILE A 73 7.090 -2.503 3.144 1.00 0.35 N ATOM 703 CA ILE A 73 8.469 -2.224 3.496 1.00 0.34 C ATOM 704 C ILE A 73 9.007 -3.336 4.366 1.00 0.40 C ATOM 705 O ILE A 73 10.143 -3.779 4.206 1.00 0.45 O ATOM 706 CB ILE A 73 8.589 -0.868 4.224 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.452 0.264 3.214 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.894 -0.750 4.996 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.508 1.640 3.830 1.00 0.27 C ATOM 0 H ILE A 73 6.425 -1.803 3.474 1.00 0.35 H new ATOM 0 HA ILE A 73 9.057 -2.167 2.580 1.00 0.34 H new ATOM 0 HB ILE A 73 7.784 -0.801 4.955 1.00 0.29 H new ATOM 0 HG12 ILE A 73 9.246 0.175 2.473 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.507 0.152 2.683 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.937 0.219 5.493 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.948 -1.543 5.742 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.734 -0.842 4.307 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.404 2.393 3.049 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.697 1.750 4.550 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.464 1.773 4.337 1.00 0.27 H new ATOM 721 N SER A 74 8.166 -3.807 5.268 1.00 0.41 N ATOM 722 CA SER A 74 8.554 -4.901 6.146 1.00 0.49 C ATOM 723 C SER A 74 8.713 -6.212 5.360 1.00 0.54 C ATOM 724 O SER A 74 9.748 -6.869 5.442 1.00 0.60 O ATOM 725 CB SER A 74 7.530 -5.082 7.268 1.00 0.52 C ATOM 726 OG SER A 74 7.988 -6.011 8.233 1.00 1.34 O ATOM 0 H SER A 74 7.220 -3.456 5.413 1.00 0.41 H new ATOM 0 HA SER A 74 9.518 -4.647 6.587 1.00 0.49 H new ATOM 0 HB2 SER A 74 7.337 -4.122 7.746 1.00 0.52 H new ATOM 0 HB3 SER A 74 6.584 -5.425 6.849 1.00 0.52 H new ATOM 0 HG SER A 74 7.316 -6.107 8.940 1.00 1.34 H new ATOM 732 N ARG A 75 7.712 -6.544 4.551 1.00 0.55 N ATOM 733 CA ARG A 75 7.668 -7.844 3.877 1.00 0.63 C ATOM 734 C ARG A 75 8.793 -7.949 2.853 1.00 0.65 C ATOM 735 O ARG A 75 9.430 -8.996 2.725 1.00 0.72 O ATOM 736 CB ARG A 75 6.305 -8.107 3.212 1.00 0.74 C ATOM 737 CG ARG A 75 5.937 -7.107 2.130 1.00 0.76 C ATOM 738 CD ARG A 75 4.691 -7.522 1.363 1.00 1.25 C ATOM 739 NE ARG A 75 3.489 -7.517 2.201 1.00 1.84 N ATOM 740 CZ ARG A 75 2.453 -6.690 2.022 1.00 2.73 C ATOM 741 NH1 ARG A 75 2.500 -5.746 1.086 1.00 3.05 N ATOM 742 NH2 ARG A 75 1.376 -6.801 2.792 1.00 3.67 N ATOM 0 H ARG A 75 6.920 -5.935 4.344 1.00 0.55 H new ATOM 0 HA ARG A 75 7.807 -8.611 4.639 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.311 -9.107 2.779 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.531 -8.096 3.979 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.774 -6.129 2.582 1.00 0.76 H new ATOM 0 HG3 ARG A 75 6.771 -7.002 1.436 1.00 0.76 H new ATOM 0 HD2 ARG A 75 4.545 -6.846 0.520 1.00 1.25 H new ATOM 0 HD3 ARG A 75 4.838 -8.520 0.950 1.00 1.25 H new ATOM 0 HE ARG A 75 3.439 -8.186 2.969 1.00 1.84 H new ATOM 0 HH11 ARG A 75 3.329 -5.650 0.500 1.00 3.05 H new ATOM 0 HH12 ARG A 75 1.707 -5.118 0.954 1.00 3.05 H new ATOM 0 HH21 ARG A 75 1.340 -7.516 3.518 1.00 3.67 H new ATOM 0 HH22 ARG A 75 0.585 -6.171 2.657 1.00 3.67 H new ATOM 756 N VAL A 76 9.047 -6.846 2.154 1.00 0.62 N ATOM 757 CA VAL A 76 10.128 -6.770 1.178 1.00 0.67 C ATOM 758 C VAL A 76 11.485 -7.043 1.838 1.00 0.71 C ATOM 759 O VAL A 76 12.400 -7.558 1.200 1.00 0.84 O ATOM 760 CB VAL A 76 10.140 -5.384 0.479 1.00 0.61 C ATOM 761 CG1 VAL A 76 11.393 -5.184 -0.357 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.906 -5.220 -0.398 1.00 0.58 C ATOM 0 H VAL A 76 8.511 -5.983 2.248 1.00 0.62 H new ATOM 0 HA VAL A 76 9.952 -7.538 0.425 1.00 0.67 H new ATOM 0 HB VAL A 76 10.132 -4.626 1.263 1.00 0.61 H new ATOM 0 HG11 VAL A 76 11.362 -4.202 -0.829 1.00 0.64 H new ATOM 0 HG12 VAL A 76 12.272 -5.251 0.284 1.00 0.64 H new ATOM 0 HG13 VAL A 76 11.444 -5.955 -1.126 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.930 -4.243 -0.881 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.894 -6.000 -1.159 1.00 0.58 H new ATOM 0 HG23 VAL A 76 8.009 -5.299 0.217 1.00 0.58 H new ATOM 772 N ARG A 77 11.591 -6.744 3.128 1.00 0.65 N ATOM 773 CA ARG A 77 12.852 -6.904 3.844 1.00 0.73 C ATOM 774 C ARG A 77 13.163 -8.374 4.124 1.00 0.86 C ATOM 775 O ARG A 77 14.314 -8.796 4.014 1.00 0.98 O ATOM 776 CB ARG A 77 12.845 -6.111 5.151 1.00 0.75 C ATOM 777 CG ARG A 77 13.018 -4.616 4.955 1.00 0.81 C ATOM 778 CD ARG A 77 12.994 -3.877 6.281 1.00 0.84 C ATOM 779 NE ARG A 77 13.258 -2.448 6.121 1.00 1.39 N ATOM 780 CZ ARG A 77 12.787 -1.510 6.940 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.006 -1.845 7.961 1.00 1.45 N ATOM 782 NH2 ARG A 77 13.096 -0.236 6.734 1.00 2.73 N ATOM 0 H ARG A 77 10.822 -6.391 3.698 1.00 0.65 H new ATOM 0 HA ARG A 77 13.637 -6.511 3.198 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.906 -6.294 5.673 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.644 -6.480 5.794 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.962 -4.421 4.445 1.00 0.81 H new ATOM 0 HG3 ARG A 77 12.224 -4.238 4.311 1.00 0.81 H new ATOM 0 HD2 ARG A 77 12.022 -4.014 6.754 1.00 0.84 H new ATOM 0 HD3 ARG A 77 13.738 -4.310 6.950 1.00 0.84 H new ATOM 0 HE ARG A 77 13.837 -2.152 5.335 1.00 1.39 H new ATOM 0 HH11 ARG A 77 11.765 -2.823 8.119 1.00 1.45 H new ATOM 0 HH12 ARG A 77 11.647 -1.124 8.587 1.00 1.45 H new ATOM 0 HH21 ARG A 77 13.694 0.023 5.949 1.00 2.73 H new ATOM 0 HH22 ARG A 77 12.736 0.484 7.361 1.00 2.73 H new ATOM 796 N LYS A 78 12.147 -9.158 4.474 1.00 0.90 N ATOM 797 CA LYS A 78 12.359 -10.571 4.760 1.00 1.08 C ATOM 798 C LYS A 78 12.418 -11.343 3.459 1.00 1.11 C ATOM 799 O LYS A 78 13.245 -12.240 3.283 1.00 1.32 O ATOM 800 CB LYS A 78 11.233 -11.140 5.625 1.00 1.13 C ATOM 801 CG LYS A 78 11.096 -10.497 6.993 1.00 1.35 C ATOM 802 CD LYS A 78 10.168 -9.303 6.927 1.00 2.01 C ATOM 803 CE LYS A 78 10.160 -8.509 8.224 1.00 2.67 C ATOM 804 NZ LYS A 78 9.509 -9.252 9.333 1.00 3.44 N ATOM 0 H LYS A 78 11.181 -8.843 4.565 1.00 0.90 H new ATOM 0 HA LYS A 78 13.297 -10.669 5.306 1.00 1.08 H new ATOM 0 HB2 LYS A 78 10.290 -11.027 5.090 1.00 1.13 H new ATOM 0 HB3 LYS A 78 11.399 -12.209 5.756 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.711 -11.225 7.707 1.00 1.35 H new ATOM 0 HG3 LYS A 78 12.076 -10.184 7.354 1.00 1.35 H new ATOM 0 HD2 LYS A 78 10.473 -8.653 6.107 1.00 2.01 H new ATOM 0 HD3 LYS A 78 9.156 -9.643 6.705 1.00 2.01 H new ATOM 0 HE2 LYS A 78 11.185 -8.265 8.505 1.00 2.67 H new ATOM 0 HE3 LYS A 78 9.639 -7.565 8.067 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 9.527 -8.673 10.196 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 8.523 -9.463 9.078 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 10.021 -10.141 9.502 1.00 3.44 H new ATOM 999 N THR B 38 -12.841 -7.504 4.619 1.00 0.97 N ATOM 1000 CA THR B 38 -14.130 -7.121 5.159 1.00 0.84 C ATOM 1001 C THR B 38 -14.677 -5.935 4.378 1.00 0.72 C ATOM 1002 O THR B 38 -13.896 -5.152 3.831 1.00 0.66 O ATOM 1003 CB THR B 38 -14.045 -6.753 6.658 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.940 -5.872 6.886 1.00 0.85 O ATOM 1005 CG2 THR B 38 -13.897 -7.991 7.527 1.00 0.95 C ATOM 0 HA THR B 38 -14.796 -7.978 5.064 1.00 0.84 H new ATOM 0 HB THR B 38 -14.975 -6.254 6.930 1.00 0.79 H new ATOM 0 HG1 THR B 38 -12.895 -5.643 7.838 1.00 0.85 H new ATOM 0 HG21 THR B 38 -13.840 -7.695 8.575 1.00 0.95 H new ATOM 0 HG22 THR B 38 -14.758 -8.644 7.380 1.00 0.95 H new ATOM 0 HG23 THR B 38 -12.987 -8.523 7.250 1.00 0.95 H new ATOM 1013 N PRO B 39 -16.003 -5.797 4.263 1.00 0.74 N ATOM 1014 CA PRO B 39 -16.605 -4.661 3.567 1.00 0.70 C ATOM 1015 C PRO B 39 -16.058 -3.323 4.058 1.00 0.62 C ATOM 1016 O PRO B 39 -15.591 -2.514 3.262 1.00 0.56 O ATOM 1017 CB PRO B 39 -18.083 -4.776 3.900 1.00 0.78 C ATOM 1018 CG PRO B 39 -18.302 -6.225 4.173 1.00 0.87 C ATOM 1019 CD PRO B 39 -17.017 -6.739 4.770 1.00 0.83 C ATOM 0 HA PRO B 39 -16.392 -4.686 2.498 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -18.342 -4.167 4.766 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -18.703 -4.432 3.072 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -19.136 -6.370 4.860 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -18.547 -6.761 3.256 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -17.053 -6.742 5.859 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -16.809 -7.761 4.455 1.00 0.83 H new ATOM 1027 N ASP B 40 -16.090 -3.114 5.374 1.00 0.65 N ATOM 1028 CA ASP B 40 -15.618 -1.861 5.975 1.00 0.64 C ATOM 1029 C ASP B 40 -14.179 -1.559 5.569 1.00 0.57 C ATOM 1030 O ASP B 40 -13.819 -0.409 5.311 1.00 0.57 O ATOM 1031 CB ASP B 40 -15.724 -1.931 7.499 1.00 0.72 C ATOM 1032 CG ASP B 40 -15.240 -0.664 8.181 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -14.122 -0.672 8.742 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -15.984 0.340 8.179 1.00 2.16 O ATOM 0 H ASP B 40 -16.438 -3.796 6.048 1.00 0.65 H new ATOM 0 HA ASP B 40 -16.253 -1.055 5.606 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -16.761 -2.115 7.778 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -15.141 -2.778 7.861 1.00 0.72 H new ATOM 1039 N TYR B 41 -13.370 -2.606 5.495 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.985 -2.508 5.062 1.00 0.54 C ATOM 1041 C TYR B 41 -11.922 -1.999 3.626 1.00 0.46 C ATOM 1042 O TYR B 41 -11.111 -1.134 3.287 1.00 0.43 O ATOM 1043 CB TYR B 41 -11.376 -3.910 5.146 1.00 0.61 C ATOM 1044 CG TYR B 41 -9.873 -4.010 5.022 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -9.231 -3.907 3.792 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -9.102 -4.269 6.145 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -7.861 -4.064 3.689 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -7.736 -4.414 6.053 1.00 0.88 C ATOM 1049 CZ TYR B 41 -7.122 -4.317 4.826 1.00 0.73 C ATOM 1050 OH TYR B 41 -5.768 -4.493 4.739 1.00 0.82 O ATOM 0 H TYR B 41 -13.659 -3.554 5.736 1.00 0.57 H new ATOM 0 HA TYR B 41 -11.434 -1.811 5.694 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -11.668 -4.350 6.099 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -11.823 -4.522 4.362 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -9.811 -3.701 2.905 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -9.581 -4.359 7.109 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -7.374 -3.989 2.728 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -7.149 -4.603 6.940 1.00 0.88 H new ATOM 0 HH TYR B 41 -5.472 -4.305 3.824 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.816 -2.525 2.798 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.807 -2.241 1.371 1.00 0.39 C ATOM 1062 C LEU B 42 -13.481 -0.905 1.060 1.00 0.36 C ATOM 1063 O LEU B 42 -13.093 -0.217 0.120 1.00 0.34 O ATOM 1064 CB LEU B 42 -13.498 -3.378 0.611 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.588 -3.203 -0.908 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -12.207 -3.009 -1.511 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -14.278 -4.401 -1.536 1.00 0.48 C ATOM 0 H LEU B 42 -13.561 -3.155 3.095 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.769 -2.168 1.046 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.966 -4.306 0.820 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -14.508 -3.493 1.005 1.00 0.43 H new ATOM 0 HG LEU B 42 -14.178 -2.311 -1.117 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -12.295 -2.887 -2.591 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.744 -2.120 -1.082 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.589 -3.881 -1.294 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.335 -4.263 -2.616 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.710 -5.305 -1.315 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -15.285 -4.496 -1.129 1.00 0.48 H new ATOM 1079 N MET B 43 -14.459 -0.516 1.871 1.00 0.39 N ATOM 1080 CA MET B 43 -15.228 0.695 1.602 1.00 0.40 C ATOM 1081 C MET B 43 -14.366 1.913 1.864 1.00 0.36 C ATOM 1082 O MET B 43 -14.452 2.923 1.161 1.00 0.36 O ATOM 1083 CB MET B 43 -16.491 0.769 2.468 1.00 0.47 C ATOM 1084 CG MET B 43 -17.468 -0.386 2.285 1.00 0.63 C ATOM 1085 SD MET B 43 -17.976 -0.643 0.572 1.00 0.85 S ATOM 1086 CE MET B 43 -16.908 -2.003 0.094 1.00 0.54 C ATOM 0 H MET B 43 -14.737 -1.017 2.715 1.00 0.39 H new ATOM 0 HA MET B 43 -15.536 0.669 0.557 1.00 0.40 H new ATOM 0 HB2 MET B 43 -16.193 0.810 3.516 1.00 0.47 H new ATOM 0 HB3 MET B 43 -17.010 1.702 2.248 1.00 0.47 H new ATOM 0 HG2 MET B 43 -17.009 -1.301 2.660 1.00 0.63 H new ATOM 0 HG3 MET B 43 -18.353 -0.201 2.893 1.00 0.63 H new ATOM 0 HE1 MET B 43 -17.326 -2.504 -0.779 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.917 -1.620 -0.147 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.832 -2.713 0.918 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.515 1.797 2.872 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.592 2.867 3.207 1.00 0.35 C ATOM 1098 C GLN B 44 -11.513 2.971 2.143 1.00 0.30 C ATOM 1099 O GLN B 44 -11.093 4.067 1.776 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.968 2.647 4.585 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.935 2.896 5.730 1.00 0.52 C ATOM 1102 CD GLN B 44 -12.278 2.743 7.084 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -11.721 3.698 7.629 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -12.352 1.549 7.643 1.00 0.75 N ATOM 0 H GLN B 44 -13.445 0.974 3.470 1.00 0.36 H new ATOM 0 HA GLN B 44 -13.149 3.803 3.241 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.596 1.624 4.649 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -11.107 3.307 4.696 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.348 3.901 5.641 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.771 2.200 5.654 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -12.823 0.786 7.156 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.938 1.389 8.562 1.00 0.75 H new ATOM 1113 N LEU B 45 -11.080 1.822 1.634 1.00 0.27 N ATOM 1114 CA LEU B 45 -10.114 1.774 0.547 1.00 0.25 C ATOM 1115 C LEU B 45 -10.638 2.459 -0.704 1.00 0.23 C ATOM 1116 O LEU B 45 -9.879 3.105 -1.429 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.774 0.325 0.208 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.649 -0.298 1.022 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -8.472 -1.763 0.648 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.361 0.469 0.789 1.00 0.31 C ATOM 0 H LEU B 45 -11.387 0.906 1.961 1.00 0.27 H new ATOM 0 HA LEU B 45 -9.222 2.302 0.885 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.671 -0.280 0.341 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.507 0.271 -0.847 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.905 -0.244 2.080 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.664 -2.194 1.239 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -9.397 -2.304 0.849 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -8.229 -1.841 -0.412 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.559 0.019 1.374 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -7.103 0.433 -0.269 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.495 1.507 1.095 1.00 0.31 H new ATOM 1132 N MET B 46 -11.935 2.318 -0.954 1.00 0.26 N ATOM 1133 CA MET B 46 -12.533 2.868 -2.160 1.00 0.27 C ATOM 1134 C MET B 46 -12.381 4.375 -2.192 1.00 0.26 C ATOM 1135 O MET B 46 -12.179 4.960 -3.256 1.00 0.40 O ATOM 1136 CB MET B 46 -14.012 2.510 -2.272 1.00 0.33 C ATOM 1137 CG MET B 46 -14.284 1.026 -2.413 1.00 0.38 C ATOM 1138 SD MET B 46 -15.971 0.682 -2.949 1.00 0.49 S ATOM 1139 CE MET B 46 -16.909 1.686 -1.801 1.00 0.49 C ATOM 0 H MET B 46 -12.587 1.830 -0.340 1.00 0.26 H new ATOM 0 HA MET B 46 -12.006 2.428 -3.006 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.532 2.881 -1.388 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.436 3.029 -3.132 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.584 0.598 -3.130 1.00 0.38 H new ATOM 0 HG3 MET B 46 -14.102 0.534 -1.457 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.886 1.233 -1.636 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.374 1.751 -0.853 1.00 0.49 H new ATOM 0 HE3 MET B 46 -17.038 2.686 -2.214 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.450 5.005 -1.028 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.352 6.451 -0.953 1.00 0.30 C ATOM 1151 C ASN B 47 -10.894 6.885 -0.963 1.00 0.26 C ATOM 1152 O ASN B 47 -10.580 8.000 -1.362 1.00 0.28 O ATOM 1153 CB ASN B 47 -13.038 6.966 0.312 1.00 0.42 C ATOM 1154 CG ASN B 47 -13.100 8.484 0.368 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -13.222 9.157 -0.659 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -13.013 9.034 1.567 1.00 1.43 N ATOM 0 H ASN B 47 -12.573 4.539 -0.129 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.852 6.874 -1.824 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -14.049 6.563 0.362 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.504 6.596 1.187 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -13.046 10.049 1.666 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -12.913 8.444 2.393 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.997 5.988 -0.565 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.571 6.305 -0.526 1.00 0.25 C ATOM 1165 C ASP B 48 -8.031 6.414 -1.944 1.00 0.25 C ATOM 1166 O ASP B 48 -7.418 7.415 -2.318 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.787 5.225 0.231 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.767 5.406 1.740 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.418 6.338 2.256 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.074 4.617 2.420 1.00 0.74 O ATOM 0 H ASP B 48 -10.229 5.041 -0.266 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.448 7.255 -0.005 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -8.218 4.251 -0.000 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.760 5.214 -0.135 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.299 5.378 -2.739 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.864 5.330 -4.132 1.00 0.27 C ATOM 1177 C LYS B 49 -8.561 6.432 -4.934 1.00 0.33 C ATOM 1178 O LYS B 49 -8.044 6.924 -5.933 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.185 3.959 -4.739 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.142 3.436 -5.724 1.00 0.58 C ATOM 1181 CD LYS B 49 -6.812 4.457 -6.798 1.00 0.92 C ATOM 1182 CE LYS B 49 -6.213 3.806 -8.033 1.00 1.45 C ATOM 1183 NZ LYS B 49 -5.874 4.804 -9.086 1.00 2.10 N ATOM 0 H LYS B 49 -8.820 4.555 -2.437 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.786 5.488 -4.170 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.296 3.236 -3.931 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.147 4.019 -5.248 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.233 3.172 -5.183 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.511 2.524 -6.192 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -7.717 4.998 -7.075 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -6.112 5.191 -6.399 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -5.314 3.257 -7.753 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -6.918 3.079 -8.437 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -5.762 4.320 -10.000 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -6.638 5.506 -9.158 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -4.985 5.283 -8.837 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.716 6.852 -4.457 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.499 7.860 -5.145 1.00 0.37 C ATOM 1199 C LYS B 50 -9.960 9.244 -4.806 1.00 0.39 C ATOM 1200 O LYS B 50 -9.761 10.083 -5.686 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.971 7.747 -4.742 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.869 8.792 -5.376 1.00 1.14 C ATOM 1203 CD LYS B 50 -14.312 8.613 -4.938 1.00 1.67 C ATOM 1204 CE LYS B 50 -15.195 9.733 -5.457 1.00 2.35 C ATOM 1205 NZ LYS B 50 -14.774 11.059 -4.936 1.00 3.05 N ATOM 0 H LYS B 50 -10.135 6.509 -3.592 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.423 7.704 -6.221 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.336 6.757 -5.014 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.047 7.828 -3.658 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.523 9.788 -5.100 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.804 8.721 -6.462 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.687 7.656 -5.300 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.362 8.584 -3.850 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -15.163 9.745 -6.546 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -16.229 9.542 -5.170 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -15.551 11.740 -5.052 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -14.534 10.976 -3.927 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -13.941 11.391 -5.464 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.698 9.461 -3.523 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.190 10.735 -3.038 1.00 0.44 C ATOM 1221 C LEU B 51 -7.798 11.005 -3.599 1.00 0.43 C ATOM 1222 O LEU B 51 -7.488 12.136 -3.973 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.178 10.733 -1.501 1.00 0.48 C ATOM 1224 CG LEU B 51 -9.011 12.098 -0.818 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.595 12.057 0.585 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -7.546 12.500 -0.750 1.00 1.22 C ATOM 0 H LEU B 51 -9.832 8.761 -2.793 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.845 11.537 -3.380 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -10.110 10.288 -1.153 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.370 10.082 -1.166 1.00 0.48 H new ATOM 0 HG LEU B 51 -9.546 12.839 -1.412 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.471 13.030 1.059 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -10.656 11.813 0.531 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -9.078 11.298 1.172 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.457 13.470 -0.262 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -6.990 11.755 -0.181 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.139 12.563 -1.759 1.00 1.22 H new ATOM 1238 N MET B 52 -6.967 9.968 -3.692 1.00 0.39 N ATOM 1239 CA MET B 52 -5.605 10.133 -4.185 1.00 0.37 C ATOM 1240 C MET B 52 -5.607 10.506 -5.667 1.00 0.41 C ATOM 1241 O MET B 52 -4.750 11.257 -6.128 1.00 0.47 O ATOM 1242 CB MET B 52 -4.785 8.850 -3.964 1.00 0.33 C ATOM 1243 CG MET B 52 -5.261 7.662 -4.783 1.00 1.29 C ATOM 1244 SD MET B 52 -4.309 6.157 -4.479 1.00 1.25 S ATOM 1245 CE MET B 52 -4.561 5.937 -2.719 1.00 0.32 C ATOM 0 H MET B 52 -7.213 9.012 -3.434 1.00 0.39 H new ATOM 0 HA MET B 52 -5.141 10.943 -3.623 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.742 9.052 -4.208 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.820 8.587 -2.907 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.310 7.471 -4.558 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.203 7.913 -5.842 1.00 1.29 H new ATOM 0 HE1 MET B 52 -4.651 4.874 -2.494 1.00 0.32 H new ATOM 0 HE2 MET B 52 -3.712 6.352 -2.175 1.00 0.32 H new ATOM 0 HE3 MET B 52 -5.473 6.451 -2.415 1.00 0.32 H new ATOM 1255 N SER B 53 -6.587 9.999 -6.405 1.00 0.41 N ATOM 1256 CA SER B 53 -6.704 10.294 -7.823 1.00 0.47 C ATOM 1257 C SER B 53 -7.333 11.669 -8.040 1.00 0.51 C ATOM 1258 O SER B 53 -7.347 12.194 -9.154 1.00 0.62 O ATOM 1259 CB SER B 53 -7.523 9.203 -8.510 1.00 0.52 C ATOM 1260 OG SER B 53 -6.858 7.952 -8.430 1.00 1.15 O ATOM 0 H SER B 53 -7.312 9.381 -6.042 1.00 0.41 H new ATOM 0 HA SER B 53 -5.707 10.314 -8.264 1.00 0.47 H new ATOM 0 HB2 SER B 53 -8.505 9.129 -8.042 1.00 0.52 H new ATOM 0 HB3 SER B 53 -7.687 9.467 -9.555 1.00 0.52 H new ATOM 0 HG SER B 53 -7.153 7.475 -7.626 1.00 1.15 H new ATOM 1266 N SER B 54 -7.827 12.255 -6.958 1.00 0.49 N ATOM 1267 CA SER B 54 -8.399 13.589 -7.002 1.00 0.54 C ATOM 1268 C SER B 54 -7.318 14.611 -6.656 1.00 0.53 C ATOM 1269 O SER B 54 -7.537 15.823 -6.716 1.00 0.53 O ATOM 1270 CB SER B 54 -9.574 13.686 -6.016 1.00 0.60 C ATOM 1271 OG SER B 54 -10.280 14.912 -6.154 1.00 1.30 O ATOM 0 H SER B 54 -7.842 11.822 -6.034 1.00 0.49 H new ATOM 0 HA SER B 54 -8.775 13.797 -8.004 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.257 12.853 -6.182 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.201 13.594 -4.996 1.00 0.60 H new ATOM 0 HG SER B 54 -9.658 15.619 -6.426 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.144 14.102 -6.297 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.014 14.944 -5.933 1.00 0.57 C ATOM 1279 C LEU B 55 -3.956 14.926 -7.033 1.00 0.65 C ATOM 1280 O LEU B 55 -3.245 13.935 -7.196 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.382 14.463 -4.622 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.321 14.375 -3.416 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.567 13.859 -2.200 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.952 15.726 -3.117 1.00 0.65 C ATOM 0 H LEU B 55 -5.951 13.101 -6.251 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.384 15.961 -5.803 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -3.947 13.478 -4.791 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.561 15.134 -4.370 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.122 13.675 -3.656 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.245 13.801 -1.349 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.167 12.868 -2.414 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.747 14.538 -1.965 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.614 15.636 -2.256 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.170 16.453 -2.898 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.525 16.059 -3.982 1.00 0.65 H new ATOM 1296 N PRO B 56 -3.828 16.019 -7.802 1.00 0.81 N ATOM 1297 CA PRO B 56 -2.800 16.137 -8.845 1.00 0.95 C ATOM 1298 C PRO B 56 -1.392 16.203 -8.251 1.00 0.88 C ATOM 1299 O PRO B 56 -0.393 16.108 -8.966 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.145 17.454 -9.556 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.531 17.791 -9.120 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.680 17.214 -7.743 1.00 0.98 C ATOM 0 HA PRO B 56 -2.796 15.275 -9.512 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.445 18.243 -9.282 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -3.091 17.341 -10.639 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -4.686 18.870 -9.110 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -5.269 17.369 -9.802 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.348 17.911 -6.973 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.717 16.962 -7.519 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.331 16.352 -6.933 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.061 16.401 -6.219 1.00 0.62 C ATOM 1312 C ASN B 57 0.349 15.007 -5.770 1.00 0.57 C ATOM 1313 O ASN B 57 1.537 14.720 -5.615 1.00 0.59 O ATOM 1314 CB ASN B 57 -0.147 17.329 -5.004 1.00 0.68 C ATOM 1315 CG ASN B 57 -0.133 18.799 -5.383 1.00 1.32 C ATOM 1316 OD1 ASN B 57 0.930 19.409 -5.495 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -1.307 19.381 -5.563 1.00 1.73 N ATOM 0 H ASN B 57 -2.152 16.441 -6.334 1.00 0.63 H new ATOM 0 HA ASN B 57 0.691 16.794 -6.903 1.00 0.62 H new ATOM 0 HB2 ASN B 57 -1.060 17.110 -4.450 1.00 0.68 H new ATOM 0 HB3 ASN B 57 0.689 17.123 -4.336 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -1.354 20.371 -5.804 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -2.166 18.840 -5.461 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.648 14.145 -5.574 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.420 12.779 -5.113 1.00 0.70 C ATOM 1326 C PHE B 58 0.490 12.026 -6.072 1.00 0.90 C ATOM 1327 O PHE B 58 1.486 11.426 -5.656 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.754 12.043 -4.966 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.611 10.570 -4.706 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.419 10.092 -3.422 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.667 9.663 -5.752 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -1.282 8.739 -3.185 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.531 8.312 -5.522 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.338 7.847 -4.237 1.00 0.69 C ATOM 0 H PHE B 58 -1.630 14.373 -5.730 1.00 0.62 H new ATOM 0 HA PHE B 58 0.071 12.825 -4.141 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.318 12.493 -4.149 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.339 12.187 -5.874 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -1.376 10.786 -2.595 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -1.819 10.020 -6.760 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -1.131 8.379 -2.178 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.575 7.617 -6.347 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.231 6.788 -4.055 1.00 0.69 H new ATOM 1344 N SER B 59 0.132 12.052 -7.348 1.00 0.91 N ATOM 1345 CA SER B 59 0.928 11.426 -8.391 1.00 1.02 C ATOM 1346 C SER B 59 2.267 12.142 -8.552 1.00 1.10 C ATOM 1347 O SER B 59 2.447 12.965 -9.451 1.00 1.84 O ATOM 1348 CB SER B 59 0.138 11.439 -9.701 1.00 1.21 C ATOM 1349 OG SER B 59 -0.452 12.713 -9.921 1.00 1.84 O ATOM 0 H SER B 59 -0.716 12.506 -7.687 1.00 0.91 H new ATOM 0 HA SER B 59 1.141 10.394 -8.113 1.00 1.02 H new ATOM 0 HB2 SER B 59 0.798 11.191 -10.532 1.00 1.21 H new ATOM 0 HB3 SER B 59 -0.638 10.674 -9.671 1.00 1.21 H new ATOM 0 HG SER B 59 0.238 13.407 -9.867 1.00 1.84 H new ATOM 1355 N GLY B 60 3.194 11.841 -7.658 1.00 0.91 N ATOM 1356 CA GLY B 60 4.495 12.466 -7.691 1.00 0.88 C ATOM 1357 C GLY B 60 5.163 12.449 -6.332 1.00 0.67 C ATOM 1358 O GLY B 60 6.383 12.310 -6.237 1.00 0.74 O ATOM 0 H GLY B 60 3.065 11.167 -6.903 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.128 11.950 -8.413 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.395 13.496 -8.034 1.00 0.88 H new ATOM 1362 N ILE B 61 4.366 12.583 -5.273 1.00 0.51 N ATOM 1363 CA ILE B 61 4.910 12.583 -3.918 1.00 0.54 C ATOM 1364 C ILE B 61 5.029 11.176 -3.351 1.00 0.73 C ATOM 1365 O ILE B 61 5.825 10.939 -2.444 1.00 1.81 O ATOM 1366 CB ILE B 61 4.088 13.453 -2.937 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.583 13.179 -3.070 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.392 14.926 -3.149 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.727 14.046 -2.168 1.00 0.79 C ATOM 0 H ILE B 61 3.353 12.692 -5.326 1.00 0.51 H new ATOM 0 HA ILE B 61 5.904 13.020 -4.013 1.00 0.54 H new ATOM 0 HB ILE B 61 4.381 13.183 -1.923 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.283 13.339 -4.106 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.391 12.131 -2.841 1.00 0.64 H new ATOM 0 HG21 ILE B 61 3.805 15.523 -2.451 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.453 15.107 -2.978 1.00 0.79 H new ATOM 0 HG23 ILE B 61 4.136 15.207 -4.171 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.676 13.798 -2.315 1.00 0.79 H new ATOM 0 HD12 ILE B 61 1.999 13.869 -1.128 1.00 0.79 H new ATOM 0 HD13 ILE B 61 1.889 15.096 -2.412 1.00 0.79 H new ATOM 1381 N PHE B 62 4.246 10.236 -3.871 1.00 0.58 N ATOM 1382 CA PHE B 62 4.282 8.866 -3.381 1.00 0.50 C ATOM 1383 C PHE B 62 4.523 7.912 -4.548 1.00 0.51 C ATOM 1384 O PHE B 62 3.889 8.030 -5.600 1.00 0.76 O ATOM 1385 CB PHE B 62 2.962 8.517 -2.694 1.00 0.50 C ATOM 1386 CG PHE B 62 2.564 9.458 -1.592 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.386 9.670 -0.495 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.353 10.118 -1.648 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.001 10.524 0.519 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.965 10.974 -0.642 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.789 11.177 0.445 1.00 0.59 C ATOM 0 H PHE B 62 3.582 10.398 -4.628 1.00 0.58 H new ATOM 0 HA PHE B 62 5.092 8.768 -2.658 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.171 8.500 -3.443 1.00 0.50 H new ATOM 0 HB3 PHE B 62 3.035 7.509 -2.285 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.337 9.162 -0.434 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.700 9.961 -2.494 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.648 10.680 1.369 1.00 0.53 H new ATOM 0 HE2 PHE B 62 0.016 11.486 -0.704 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.486 11.846 1.237 1.00 0.59 H new ATOM 1401 N THR B 63 5.437 6.971 -4.356 1.00 0.35 N ATOM 1402 CA THR B 63 5.860 6.075 -5.424 1.00 0.38 C ATOM 1403 C THR B 63 5.022 4.793 -5.474 1.00 0.30 C ATOM 1404 O THR B 63 4.397 4.491 -6.485 1.00 0.38 O ATOM 1405 CB THR B 63 7.341 5.700 -5.243 1.00 0.49 C ATOM 1406 OG1 THR B 63 8.107 6.878 -4.959 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.894 5.023 -6.487 1.00 0.66 C ATOM 0 H THR B 63 5.903 6.808 -3.464 1.00 0.35 H new ATOM 0 HA THR B 63 5.716 6.609 -6.363 1.00 0.38 H new ATOM 0 HB THR B 63 7.414 5.000 -4.411 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.024 7.101 -4.008 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.942 4.770 -6.328 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.328 4.114 -6.688 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.809 5.699 -7.338 1.00 0.66 H new ATOM 1415 N HIS B 64 5.014 4.048 -4.374 1.00 0.26 N ATOM 1416 CA HIS B 64 4.394 2.715 -4.350 1.00 0.25 C ATOM 1417 C HIS B 64 2.957 2.757 -3.857 1.00 0.25 C ATOM 1418 O HIS B 64 2.212 1.791 -4.014 1.00 0.54 O ATOM 1419 CB HIS B 64 5.197 1.748 -3.481 1.00 0.34 C ATOM 1420 CG HIS B 64 6.436 1.240 -4.143 1.00 0.43 C ATOM 1421 ND1 HIS B 64 6.573 -0.053 -4.595 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.599 1.861 -4.432 1.00 0.71 C ATOM 1423 CE1 HIS B 64 7.767 -0.203 -5.131 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.414 0.943 -5.048 1.00 0.68 N ATOM 0 H HIS B 64 5.426 4.337 -3.487 1.00 0.26 H new ATOM 0 HA HIS B 64 4.392 2.361 -5.381 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.470 2.248 -2.552 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.564 0.902 -3.213 1.00 0.34 H new ATOM 0 HD2 HIS B 64 7.844 2.891 -4.218 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.152 -1.113 -5.566 1.00 0.83 H new ATOM 0 HE2 HIS B 64 9.361 1.118 -5.385 1.00 0.68 H new ATOM 1433 N LEU B 65 2.578 3.880 -3.275 1.00 0.32 N ATOM 1434 CA LEU B 65 1.334 3.986 -2.519 1.00 0.22 C ATOM 1435 C LEU B 65 0.094 3.645 -3.351 1.00 0.21 C ATOM 1436 O LEU B 65 -0.788 2.927 -2.880 1.00 0.24 O ATOM 1437 CB LEU B 65 1.212 5.387 -1.910 1.00 0.29 C ATOM 1438 CG LEU B 65 2.013 5.624 -0.617 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.518 4.719 0.496 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.502 5.397 -0.831 1.00 0.99 C ATOM 0 H LEU B 65 3.119 4.744 -3.310 1.00 0.32 H new ATOM 0 HA LEU B 65 1.378 3.243 -1.722 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.534 6.116 -2.654 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.160 5.584 -1.705 1.00 0.29 H new ATOM 0 HG LEU B 65 1.860 6.665 -0.331 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.098 4.903 1.400 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.466 4.925 0.692 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.634 3.677 0.197 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.035 5.574 0.103 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.670 4.370 -1.156 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.869 6.084 -1.593 1.00 0.99 H new ATOM 1452 N GLU B 66 0.026 4.132 -4.582 1.00 0.31 N ATOM 1453 CA GLU B 66 -1.156 3.903 -5.410 1.00 0.40 C ATOM 1454 C GLU B 66 -1.273 2.440 -5.817 1.00 0.38 C ATOM 1455 O GLU B 66 -2.366 1.866 -5.794 1.00 0.38 O ATOM 1456 CB GLU B 66 -1.138 4.780 -6.660 1.00 0.53 C ATOM 1457 CG GLU B 66 -2.337 4.543 -7.565 1.00 0.88 C ATOM 1458 CD GLU B 66 -2.318 5.402 -8.805 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -1.254 5.502 -9.449 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -3.373 5.968 -9.155 1.00 1.75 O ATOM 0 H GLU B 66 0.762 4.681 -5.027 1.00 0.31 H new ATOM 0 HA GLU B 66 -2.023 4.170 -4.805 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -1.115 5.828 -6.362 1.00 0.53 H new ATOM 0 HB3 GLU B 66 -0.223 4.588 -7.220 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -2.363 3.493 -7.857 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -3.252 4.741 -7.006 1.00 0.88 H new ATOM 1467 N ARG B 67 -0.149 1.826 -6.170 1.00 0.42 N ATOM 1468 CA ARG B 67 -0.164 0.449 -6.636 1.00 0.44 C ATOM 1469 C ARG B 67 -0.568 -0.471 -5.497 1.00 0.39 C ATOM 1470 O ARG B 67 -1.217 -1.491 -5.709 1.00 0.40 O ATOM 1471 CB ARG B 67 1.204 0.029 -7.170 1.00 0.54 C ATOM 1472 CG ARG B 67 1.132 -1.161 -8.113 1.00 0.74 C ATOM 1473 CD ARG B 67 2.445 -1.918 -8.172 1.00 0.86 C ATOM 1474 NE ARG B 67 2.630 -2.750 -6.990 1.00 1.08 N ATOM 1475 CZ ARG B 67 3.718 -3.463 -6.731 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.756 -3.437 -7.557 1.00 1.71 N ATOM 1477 NH2 ARG B 67 3.759 -4.206 -5.639 1.00 2.07 N ATOM 0 H ARG B 67 0.775 2.257 -6.142 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.886 0.374 -7.449 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.659 0.871 -7.691 1.00 0.54 H new ATOM 0 HB3 ARG B 67 1.856 -0.217 -6.332 1.00 0.54 H new ATOM 0 HG2 ARG B 67 0.339 -1.835 -7.787 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.867 -0.816 -9.112 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.468 -2.542 -9.066 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.271 -1.212 -8.255 1.00 0.86 H new ATOM 0 HE ARG B 67 1.868 -2.787 -6.313 1.00 1.08 H new ATOM 0 HH11 ARG B 67 4.722 -2.865 -8.401 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.588 -3.989 -7.348 1.00 1.71 H new ATOM 0 HH21 ARG B 67 2.959 -4.227 -5.006 1.00 2.07 H new ATOM 0 HH22 ARG B 67 4.590 -4.759 -5.429 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.204 -0.079 -4.284 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.531 -0.850 -3.099 1.00 0.34 C ATOM 1493 C LEU B 68 -2.036 -0.872 -2.841 1.00 0.31 C ATOM 1494 O LEU B 68 -2.537 -1.769 -2.173 1.00 0.41 O ATOM 1495 CB LEU B 68 0.234 -0.310 -1.891 1.00 0.33 C ATOM 1496 CG LEU B 68 1.662 -0.837 -1.757 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.402 -0.103 -0.656 1.00 0.37 C ATOM 1498 CD2 LEU B 68 1.647 -2.330 -1.474 1.00 0.62 C ATOM 0 H LEU B 68 0.322 0.775 -4.097 1.00 0.36 H new ATOM 0 HA LEU B 68 -0.223 -1.882 -3.268 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.266 0.778 -1.954 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.319 -0.561 -0.985 1.00 0.33 H new ATOM 0 HG LEU B 68 2.183 -0.662 -2.698 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.417 -0.493 -0.577 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.440 0.961 -0.890 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.882 -0.248 0.291 1.00 0.37 H new ATOM 0 HD21 LEU B 68 2.671 -2.693 -1.381 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.109 -2.519 -0.545 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.151 -2.851 -2.293 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.764 0.087 -3.404 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.224 0.046 -3.336 1.00 0.24 C ATOM 1512 C LEU B 69 -4.748 -0.813 -4.477 1.00 0.25 C ATOM 1513 O LEU B 69 -5.725 -1.559 -4.338 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.863 1.442 -3.408 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.971 2.210 -2.083 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.345 2.827 -1.938 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.675 1.312 -0.893 1.00 0.30 C ATOM 0 H LEU B 69 -2.378 0.888 -3.904 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.497 -0.380 -2.370 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.286 2.047 -4.108 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.864 1.339 -3.826 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.224 3.004 -2.101 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.403 3.367 -0.993 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.523 3.518 -2.762 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -7.100 2.041 -1.954 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.761 1.889 0.028 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.388 0.488 -0.873 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.664 0.915 -0.980 1.00 0.30 H new ATOM 1529 N ASP B 70 -4.042 -0.760 -5.591 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.443 -1.502 -6.767 1.00 0.35 C ATOM 1531 C ASP B 70 -4.313 -2.985 -6.477 1.00 0.38 C ATOM 1532 O ASP B 70 -5.098 -3.795 -6.963 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.596 -1.099 -7.973 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.951 -1.874 -9.227 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -3.222 -2.825 -9.576 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -4.962 -1.531 -9.873 1.00 1.56 O ATOM 0 H ASP B 70 -3.190 -0.211 -5.704 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.481 -1.274 -7.010 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.725 -0.033 -8.162 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.543 -1.256 -7.740 1.00 0.43 H new ATOM 1541 N GLU B 71 -3.321 -3.329 -5.659 1.00 0.42 N ATOM 1542 CA GLU B 71 -3.178 -4.678 -5.146 1.00 0.50 C ATOM 1543 C GLU B 71 -4.161 -4.937 -4.014 1.00 0.46 C ATOM 1544 O GLU B 71 -4.898 -5.908 -4.057 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.769 -4.894 -4.615 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.676 -4.659 -5.636 1.00 0.94 C ATOM 1547 CD GLU B 71 0.689 -4.614 -4.994 1.00 1.47 C ATOM 1548 OE1 GLU B 71 1.237 -3.505 -4.852 1.00 2.14 O ATOM 1549 OE2 GLU B 71 1.214 -5.681 -4.616 1.00 2.18 O ATOM 0 H GLU B 71 -2.601 -2.681 -5.338 1.00 0.42 H new ATOM 0 HA GLU B 71 -3.380 -5.365 -5.968 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.607 -4.229 -3.767 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.687 -5.914 -4.240 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.700 -5.452 -6.384 1.00 0.94 H new ATOM 0 HG3 GLU B 71 -0.863 -3.721 -6.159 1.00 0.94 H new ATOM 1556 N GLU B 72 -4.182 -4.050 -3.011 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.965 -4.281 -1.792 1.00 0.45 C ATOM 1558 C GLU B 72 -6.450 -4.338 -2.112 1.00 0.42 C ATOM 1559 O GLU B 72 -7.143 -5.287 -1.760 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.719 -3.174 -0.766 1.00 0.46 C ATOM 1561 CG GLU B 72 -5.312 -3.477 0.600 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.484 -4.471 1.385 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.154 -4.173 2.550 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.143 -5.538 0.836 1.00 1.33 O ATOM 0 H GLU B 72 -3.668 -3.169 -3.020 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.646 -5.235 -1.373 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.645 -3.017 -0.662 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -5.142 -2.242 -1.139 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -5.397 -2.551 1.169 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -6.322 -3.869 0.475 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.909 -3.329 -2.826 1.00 0.35 N ATOM 1572 CA ILE B 73 -8.310 -3.208 -3.185 1.00 0.35 C ATOM 1573 C ILE B 73 -8.726 -4.395 -4.025 1.00 0.40 C ATOM 1574 O ILE B 73 -9.808 -4.951 -3.850 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.573 -1.892 -3.947 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.558 -0.726 -2.968 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.883 -1.935 -4.719 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.760 0.619 -3.618 1.00 0.27 C ATOM 0 H ILE B 73 -6.323 -2.570 -3.174 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.903 -3.190 -2.271 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.779 -1.758 -4.681 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -9.339 -0.880 -2.223 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.606 -0.723 -2.436 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -10.029 -0.989 -5.241 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.852 -2.748 -5.444 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.708 -2.098 -4.026 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.737 1.398 -2.856 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.965 0.796 -4.343 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.724 0.637 -4.126 1.00 0.27 H new ATOM 1590 N SER B 74 -7.840 -4.797 -4.915 1.00 0.41 N ATOM 1591 CA SER B 74 -8.109 -5.950 -5.763 1.00 0.49 C ATOM 1592 C SER B 74 -8.133 -7.247 -4.943 1.00 0.54 C ATOM 1593 O SER B 74 -9.091 -8.013 -5.009 1.00 0.60 O ATOM 1594 CB SER B 74 -7.070 -6.051 -6.880 1.00 0.52 C ATOM 1595 OG SER B 74 -7.425 -7.047 -7.819 1.00 1.34 O ATOM 0 H SER B 74 -6.936 -4.351 -5.072 1.00 0.41 H new ATOM 0 HA SER B 74 -9.093 -5.811 -6.211 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.979 -5.089 -7.384 1.00 0.52 H new ATOM 0 HB3 SER B 74 -6.094 -6.281 -6.453 1.00 0.52 H new ATOM 0 HG SER B 74 -6.745 -7.090 -8.523 1.00 1.34 H new ATOM 1601 N ARG B 75 -7.101 -7.452 -4.128 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.919 -8.721 -3.421 1.00 0.63 C ATOM 1603 C ARG B 75 -8.025 -8.916 -2.391 1.00 0.65 C ATOM 1604 O ARG B 75 -8.555 -10.017 -2.240 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.533 -8.818 -2.752 1.00 0.74 C ATOM 1606 CG ARG B 75 -5.271 -7.759 -1.695 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.987 -8.021 -0.925 1.00 1.26 C ATOM 1608 NE ARG B 75 -2.797 -7.903 -1.768 1.00 1.84 N ATOM 1609 CZ ARG B 75 -1.857 -6.969 -1.607 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -1.999 -6.020 -0.688 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -0.780 -6.976 -2.386 1.00 3.67 N ATOM 0 H ARG B 75 -6.378 -6.758 -3.940 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.976 -9.519 -4.161 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.432 -9.803 -2.295 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.765 -8.743 -3.522 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -5.214 -6.780 -2.171 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -6.110 -7.727 -0.999 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -3.913 -7.317 -0.096 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -4.024 -9.020 -0.491 1.00 1.26 H new ATOM 0 HE ARG B 75 -2.678 -8.576 -2.525 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -2.831 -6.001 -0.099 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -1.276 -5.310 -0.572 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -0.674 -7.693 -3.103 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -0.059 -6.264 -2.266 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.392 -7.829 -1.718 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.477 -7.841 -0.742 1.00 0.67 C ATOM 1627 C VAL B 76 -10.796 -8.274 -1.391 1.00 0.71 C ATOM 1628 O VAL B 76 -11.651 -8.867 -0.737 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.637 -6.446 -0.079 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.905 -6.358 0.754 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.428 -6.129 0.789 1.00 0.59 C ATOM 0 H VAL B 76 -7.947 -6.918 -1.833 1.00 0.62 H new ATOM 0 HA VAL B 76 -9.221 -8.566 0.031 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.710 -5.712 -0.882 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.979 -5.366 1.200 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.772 -6.535 0.117 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.875 -7.110 1.543 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.556 -5.148 1.246 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -8.333 -6.884 1.570 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.528 -6.128 0.173 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.932 -8.023 -2.689 1.00 0.66 N ATOM 1642 CA ARG B 77 -12.168 -8.336 -3.397 1.00 0.73 C ATOM 1643 C ARG B 77 -12.319 -9.836 -3.638 1.00 0.87 C ATOM 1644 O ARG B 77 -13.418 -10.376 -3.513 1.00 0.98 O ATOM 1645 CB ARG B 77 -12.247 -7.583 -4.726 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.578 -6.109 -4.572 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.629 -5.411 -5.918 1.00 0.84 C ATOM 1648 NE ARG B 77 -13.042 -4.014 -5.797 1.00 1.38 N ATOM 1649 CZ ARG B 77 -12.671 -3.054 -6.641 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -11.860 -3.328 -7.656 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -13.113 -1.814 -6.465 1.00 2.73 N ATOM 0 H ARG B 77 -10.205 -7.606 -3.270 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.990 -8.011 -2.759 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -11.294 -7.680 -5.246 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -13.003 -8.053 -5.355 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.538 -6.001 -4.067 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.830 -5.630 -3.940 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -11.647 -5.459 -6.388 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -13.322 -5.938 -6.573 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.651 -3.760 -5.019 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -11.517 -4.279 -7.793 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -11.580 -2.588 -8.299 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -13.735 -1.600 -5.685 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -12.831 -1.076 -7.110 1.00 2.73 H new ATOM 1665 N LYS B 78 -11.227 -10.520 -3.971 1.00 0.90 N ATOM 1666 CA LYS B 78 -11.289 -11.954 -4.218 1.00 1.08 C ATOM 1667 C LYS B 78 -11.265 -12.693 -2.897 1.00 1.12 C ATOM 1668 O LYS B 78 -11.993 -13.666 -2.692 1.00 1.32 O ATOM 1669 CB LYS B 78 -10.108 -12.424 -5.071 1.00 1.13 C ATOM 1670 CG LYS B 78 -10.040 -11.805 -6.453 1.00 1.35 C ATOM 1671 CD LYS B 78 -9.245 -10.519 -6.418 1.00 2.01 C ATOM 1672 CE LYS B 78 -9.315 -9.766 -7.734 1.00 2.67 C ATOM 1673 NZ LYS B 78 -8.586 -10.471 -8.820 1.00 3.44 N ATOM 0 H LYS B 78 -10.300 -10.108 -4.075 1.00 0.90 H new ATOM 0 HA LYS B 78 -12.212 -12.165 -4.758 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -9.182 -12.200 -4.541 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -10.161 -13.508 -5.175 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -9.579 -12.506 -7.150 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -11.047 -11.607 -6.819 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -9.621 -9.883 -5.617 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -8.204 -10.743 -6.185 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -10.358 -9.637 -8.022 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -8.895 -8.769 -7.604 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -8.659 -9.922 -9.700 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -7.585 -10.572 -8.557 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -9.003 -11.413 -8.963 1.00 3.44 H new