USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1150 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 101 THR OG1 : rot -88:sc= -1.04! USER MOD Set 1.2: A 103 ASN : amide:sc= -0.585 X(o=-1.6,f=-1.5) USER MOD Set 2.1: A 45 THR OG1 : rot -130:sc= 0 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-2.5!) USER MOD Single : A 1 PHE N :NH3+ 173:sc= 0.0167 (180deg=-0.0474) USER MOD Single : A 2 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.18) USER MOD Single : A 3 TYR OH : rot 130:sc= 0.689 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.551 USER MOD Single : A 14 MET CE :methyl 175:sc= -0.683 (180deg=-0.699) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 24 ASN : amide:sc= 1.24 K(o=1.2,f=-0.083) USER MOD Single : A 26 SER OG : rot -70:sc= 1.17 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= 0.543 (180deg=0.103) USER MOD Single : A 31 THR OG1 : rot 63:sc= 1.12 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.2) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 175:sc= 0.977 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.837! X(o=-0.84!,f=-0.51) USER MOD Single : A 48 SER OG : rot -170:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.04) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -167:sc= -0.0609 (180deg=-0.378) USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.08) USER MOD Single : A 69 MET CE :methyl -124:sc= -1.97! (180deg=-3.07!) USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= 0.125 (180deg=-0.0419) USER MOD Single : A 72 SER OG : rot 72:sc= 1.24 USER MOD Single : A 73 LYS NZ :NH3+ -170:sc= 1.16 (180deg=1.13) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -147:sc= 1.26 (180deg=0.916) USER MOD Single : A 88 SER OG : rot 17:sc= 0.937 USER MOD Single : A 96 LYS NZ :NH3+ 156:sc= 1.45 (180deg=1.18) USER MOD Single : A 99 TYR OH : rot 165:sc= -0.643 USER MOD Single : A 100 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 106 THR OG1 : rot -63:sc= 0.819 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot -6:sc= 0.347 USER MOD Single : A 115 LYS NZ :NH3+ -137:sc= 0.755 (180deg=-0.595) USER MOD Single : A 119 LYS NZ :NH3+ 167:sc= 1.3 (180deg=1.08) USER MOD Single : A 121 TYR OH : rot 30:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 173:sc= -0.0107 (180deg=-0.122) USER MOD Single : A 124 MET CE :methyl -139:sc= -0.191 (180deg=-1.49) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -177:sc= 0.0185 (180deg=0.0179) USER MOD Single : A 134 LYS NZ :NH3+ -137:sc= -2! (180deg=-4.61!) USER MOD Single : A 135 GLN : amide:sc= -0.649 K(o=-0.65,f=-4.2!) USER MOD Single : A 141 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000108) USER MOD Single : A 145 SER OG : rot -38:sc= 0.369 USER MOD Single : A 147 LYS NZ :NH3+ -161:sc= 2.35 (180deg=1.49) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 3.948 17.736 -9.224 1.00 1.03 N ATOM 222 CA PHE A 1 3.194 16.643 -9.815 1.00 1.07 C ATOM 223 C PHE A 1 1.699 16.855 -9.611 1.00 0.89 C ATOM 224 O PHE A 1 1.277 17.624 -8.744 1.00 0.81 O ATOM 225 CB PHE A 1 3.609 15.316 -9.174 1.00 1.39 C ATOM 226 CG PHE A 1 2.968 15.069 -7.833 1.00 0.93 C ATOM 227 CD1 PHE A 1 3.279 15.869 -6.746 1.00 1.15 C ATOM 228 CD2 PHE A 1 2.060 14.035 -7.659 1.00 1.11 C ATOM 229 CE1 PHE A 1 2.698 15.645 -5.515 1.00 1.47 C ATOM 230 CE2 PHE A 1 1.477 13.807 -6.431 1.00 1.14 C ATOM 231 CZ PHE A 1 1.776 14.610 -5.367 1.00 1.31 C ATOM 0 H1 PHE A 1 4.964 17.519 -9.266 1.00 1.03 H new ATOM 0 H2 PHE A 1 3.759 18.613 -9.750 1.00 1.03 H new ATOM 0 H3 PHE A 1 3.661 17.859 -8.232 1.00 1.03 H new ATOM 0 HA PHE A 1 3.407 16.616 -10.884 1.00 1.07 H new ATOM 0 HB2 PHE A 1 3.349 14.499 -9.848 1.00 1.39 H new ATOM 0 HB3 PHE A 1 4.693 15.301 -9.058 1.00 1.39 H new ATOM 0 HD1 PHE A 1 3.985 16.678 -6.864 1.00 1.15 H new ATOM 0 HD2 PHE A 1 1.807 13.401 -8.496 1.00 1.11 H new ATOM 0 HE1 PHE A 1 2.956 16.268 -4.671 1.00 1.47 H new ATOM 0 HE2 PHE A 1 0.781 12.990 -6.309 1.00 1.14 H new ATOM 0 HZ PHE A 1 1.299 14.443 -4.413 1.00 1.31 H new ATOM 241 N LYS A 2 0.901 16.168 -10.403 1.00 0.96 N ATOM 242 CA LYS A 2 -0.530 16.130 -10.185 1.00 0.98 C ATOM 243 C LYS A 2 -1.017 14.700 -10.340 1.00 1.01 C ATOM 244 O LYS A 2 -0.335 13.888 -10.960 1.00 1.42 O ATOM 245 CB LYS A 2 -1.265 17.059 -11.159 1.00 1.14 C ATOM 246 CG LYS A 2 -2.718 17.319 -10.781 1.00 1.62 C ATOM 247 CD LYS A 2 -3.457 18.090 -11.864 1.00 2.02 C ATOM 248 CE LYS A 2 -4.849 18.499 -11.402 1.00 2.67 C ATOM 249 NZ LYS A 2 -5.673 19.027 -12.519 1.00 3.15 N ATOM 0 H LYS A 2 1.221 15.627 -11.206 1.00 0.96 H new ATOM 0 HA LYS A 2 -0.744 16.482 -9.176 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -0.736 18.011 -11.208 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -1.231 16.624 -12.158 1.00 1.14 H new ATOM 0 HG2 LYS A 2 -3.222 16.369 -10.603 1.00 1.62 H new ATOM 0 HG3 LYS A 2 -2.755 17.879 -9.847 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -2.886 18.978 -12.135 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -3.535 17.476 -12.761 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -5.350 17.640 -10.956 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -4.764 19.258 -10.624 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -6.455 19.595 -12.135 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -5.083 19.622 -13.135 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -6.059 18.234 -13.071 1.00 3.15 H new ATOM 263 N TYR A 3 -2.166 14.393 -9.758 1.00 0.91 N ATOM 264 CA TYR A 3 -2.752 13.059 -9.833 1.00 0.94 C ATOM 265 C TYR A 3 -2.775 12.571 -11.281 1.00 1.01 C ATOM 266 O TYR A 3 -2.276 11.493 -11.597 1.00 0.90 O ATOM 267 CB TYR A 3 -4.173 13.118 -9.266 1.00 1.02 C ATOM 268 CG TYR A 3 -4.836 11.778 -9.033 1.00 1.12 C ATOM 269 CD1 TYR A 3 -4.718 11.132 -7.811 1.00 1.31 C ATOM 270 CD2 TYR A 3 -5.619 11.184 -10.016 1.00 1.36 C ATOM 271 CE1 TYR A 3 -5.353 9.929 -7.576 1.00 1.62 C ATOM 272 CE2 TYR A 3 -6.264 9.985 -9.786 1.00 1.78 C ATOM 273 CZ TYR A 3 -6.127 9.363 -8.564 1.00 1.87 C ATOM 274 OH TYR A 3 -6.786 8.182 -8.323 1.00 2.35 O ATOM 0 H TYR A 3 -2.720 15.059 -9.220 1.00 0.91 H new ATOM 0 HA TYR A 3 -2.153 12.358 -9.251 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -4.146 13.660 -8.321 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -4.794 13.698 -9.949 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -4.119 11.578 -7.030 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -5.725 11.668 -10.976 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -5.243 9.434 -6.622 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -6.872 9.538 -10.559 1.00 1.78 H new ATOM 0 HH TYR A 3 -7.727 8.274 -8.582 1.00 2.35 H new ATOM 284 N GLU A 4 -3.319 13.410 -12.152 1.00 1.38 N ATOM 285 CA GLU A 4 -3.448 13.095 -13.571 1.00 1.74 C ATOM 286 C GLU A 4 -2.090 12.940 -14.260 1.00 1.24 C ATOM 287 O GLU A 4 -1.996 12.318 -15.318 1.00 1.52 O ATOM 288 CB GLU A 4 -4.250 14.194 -14.266 1.00 2.44 C ATOM 289 CG GLU A 4 -5.634 14.396 -13.675 1.00 3.05 C ATOM 290 CD GLU A 4 -6.341 15.605 -14.246 1.00 3.65 C ATOM 291 OE1 GLU A 4 -6.915 15.500 -15.346 1.00 4.16 O ATOM 292 OE2 GLU A 4 -6.324 16.669 -13.596 1.00 3.95 O ATOM 0 H GLU A 4 -3.683 14.328 -11.897 1.00 1.38 H new ATOM 0 HA GLU A 4 -3.965 12.138 -13.648 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -3.697 15.131 -14.205 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.347 13.949 -15.324 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -6.237 13.507 -13.859 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -5.551 14.506 -12.594 1.00 3.05 H new ATOM 299 N ASP A 5 -1.042 13.493 -13.660 1.00 0.71 N ATOM 300 CA ASP A 5 0.277 13.488 -14.292 1.00 0.73 C ATOM 301 C ASP A 5 1.051 12.228 -13.928 1.00 0.72 C ATOM 302 O ASP A 5 2.015 11.860 -14.604 1.00 0.90 O ATOM 303 CB ASP A 5 1.077 14.731 -13.897 1.00 1.07 C ATOM 304 CG ASP A 5 0.522 16.001 -14.507 1.00 1.83 C ATOM 305 OD1 ASP A 5 -0.543 16.471 -14.055 1.00 2.57 O ATOM 306 OD2 ASP A 5 1.146 16.538 -15.443 1.00 2.15 O ATOM 0 H ASP A 5 -1.076 13.946 -12.747 1.00 0.71 H new ATOM 0 HA ASP A 5 0.127 13.501 -15.372 1.00 0.73 H new ATOM 0 HB2 ASP A 5 1.081 14.826 -12.811 1.00 1.07 H new ATOM 0 HB3 ASP A 5 2.114 14.605 -14.210 1.00 1.07 H new ATOM 311 N ILE A 6 0.624 11.572 -12.857 1.00 0.58 N ATOM 312 CA ILE A 6 1.220 10.311 -12.448 1.00 0.55 C ATOM 313 C ILE A 6 0.781 9.223 -13.419 1.00 0.54 C ATOM 314 O ILE A 6 -0.407 9.136 -13.731 1.00 0.58 O ATOM 315 CB ILE A 6 0.772 9.912 -11.021 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.073 11.032 -10.022 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.452 8.617 -10.587 1.00 0.56 C ATOM 318 CD1 ILE A 6 0.498 10.782 -8.643 1.00 0.69 C ATOM 0 H ILE A 6 -0.134 11.895 -12.256 1.00 0.58 H new ATOM 0 HA ILE A 6 2.304 10.426 -12.451 1.00 0.55 H new ATOM 0 HB ILE A 6 -0.306 9.749 -11.039 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.153 11.154 -9.940 1.00 0.63 H new ATOM 0 HG13 ILE A 6 0.674 11.970 -10.409 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.124 8.353 -9.581 1.00 0.56 H new ATOM 0 HG22 ILE A 6 1.185 7.817 -11.277 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.533 8.755 -10.592 1.00 0.56 H new ATOM 0 HD11 ILE A 6 0.750 11.615 -7.987 1.00 0.69 H new ATOM 0 HD12 ILE A 6 -0.586 10.689 -8.712 1.00 0.69 H new ATOM 0 HD13 ILE A 6 0.916 9.861 -8.236 1.00 0.69 H new ATOM 325 N PRO A 7 1.729 8.413 -13.932 1.00 0.53 N ATOM 326 CA PRO A 7 1.429 7.294 -14.830 1.00 0.55 C ATOM 327 C PRO A 7 0.191 6.519 -14.390 1.00 0.53 C ATOM 328 O PRO A 7 0.183 5.871 -13.338 1.00 0.52 O ATOM 329 CB PRO A 7 2.684 6.434 -14.719 1.00 0.55 C ATOM 330 CG PRO A 7 3.776 7.423 -14.515 1.00 0.60 C ATOM 331 CD PRO A 7 3.181 8.532 -13.686 1.00 0.54 C ATOM 0 HA PRO A 7 1.204 7.616 -15.847 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.617 5.735 -13.886 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.844 5.842 -15.620 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.625 6.967 -14.006 1.00 0.60 H new ATOM 0 HG3 PRO A 7 4.142 7.802 -15.469 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.419 8.414 -12.629 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.560 9.507 -13.991 1.00 0.54 H new ATOM 339 N ALA A 8 -0.851 6.598 -15.207 1.00 0.55 N ATOM 340 CA ALA A 8 -2.157 6.065 -14.855 1.00 0.54 C ATOM 341 C ALA A 8 -2.132 4.555 -14.673 1.00 0.55 C ATOM 342 O ALA A 8 -3.015 4.002 -14.016 1.00 0.56 O ATOM 343 CB ALA A 8 -3.190 6.461 -15.897 1.00 0.57 C ATOM 0 H ALA A 8 -0.813 7.032 -16.129 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.436 6.499 -13.895 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.162 6.054 -15.619 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.254 7.548 -15.952 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -2.896 6.066 -16.869 1.00 0.57 H new ATOM 349 N ASP A 9 -1.121 3.886 -15.220 1.00 0.55 N ATOM 350 CA ASP A 9 -1.024 2.441 -15.057 1.00 0.57 C ATOM 351 C ASP A 9 -0.791 2.113 -13.589 1.00 0.54 C ATOM 352 O ASP A 9 -1.260 1.102 -13.069 1.00 0.55 O ATOM 353 CB ASP A 9 0.114 1.849 -15.897 1.00 0.61 C ATOM 354 CG ASP A 9 -0.183 1.835 -17.381 1.00 0.93 C ATOM 355 OD1 ASP A 9 -0.902 0.922 -17.839 1.00 1.33 O ATOM 356 OD2 ASP A 9 0.283 2.747 -18.095 1.00 1.37 O ATOM 0 H ASP A 9 -0.373 4.311 -15.768 1.00 0.55 H new ATOM 0 HA ASP A 9 -1.960 2.001 -15.401 1.00 0.57 H new ATOM 0 HB2 ASP A 9 1.023 2.424 -15.721 1.00 0.61 H new ATOM 0 HB3 ASP A 9 0.311 0.830 -15.563 1.00 0.61 H new ATOM 361 N TYR A 10 -0.064 3.015 -12.938 1.00 0.52 N ATOM 362 CA TYR A 10 0.350 2.856 -11.550 1.00 0.50 C ATOM 363 C TYR A 10 -0.743 3.304 -10.586 1.00 0.49 C ATOM 364 O TYR A 10 -0.934 2.695 -9.535 1.00 0.51 O ATOM 365 CB TYR A 10 1.632 3.659 -11.310 1.00 0.52 C ATOM 366 CG TYR A 10 2.060 3.753 -9.861 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.691 2.682 -9.239 1.00 0.59 C ATOM 368 CD2 TYR A 10 1.822 4.899 -9.112 1.00 0.59 C ATOM 369 CE1 TYR A 10 3.075 2.751 -7.915 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.202 4.973 -7.784 1.00 0.66 C ATOM 371 CZ TYR A 10 2.867 3.956 -7.207 1.00 0.70 C ATOM 372 OH TYR A 10 3.206 3.965 -5.870 1.00 0.80 O ATOM 0 H TYR A 10 0.257 3.885 -13.364 1.00 0.52 H new ATOM 0 HA TYR A 10 0.537 1.798 -11.363 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.440 3.207 -11.884 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.491 4.667 -11.699 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.884 1.780 -9.801 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.333 5.744 -9.573 1.00 0.59 H new ATOM 0 HE1 TYR A 10 3.527 1.899 -7.429 1.00 0.66 H new ATOM 0 HE2 TYR A 10 1.963 5.854 -7.206 1.00 0.66 H new ATOM 0 HH TYR A 10 3.019 4.849 -5.491 1.00 0.80 H new ATOM 382 N ARG A 11 -1.463 4.367 -10.936 1.00 0.48 N ATOM 383 CA ARG A 11 -2.512 4.876 -10.053 1.00 0.49 C ATOM 384 C ARG A 11 -3.620 3.839 -9.960 1.00 0.50 C ATOM 385 O ARG A 11 -4.277 3.688 -8.934 1.00 0.54 O ATOM 386 CB ARG A 11 -3.082 6.200 -10.562 1.00 0.51 C ATOM 387 CG ARG A 11 -2.032 7.164 -11.083 1.00 0.48 C ATOM 388 CD ARG A 11 -2.644 8.502 -11.470 1.00 0.60 C ATOM 389 NE ARG A 11 -3.849 8.354 -12.289 1.00 0.88 N ATOM 390 CZ ARG A 11 -4.053 8.977 -13.453 1.00 1.19 C ATOM 391 NH1 ARG A 11 -3.088 9.697 -14.014 1.00 1.61 N ATOM 392 NH2 ARG A 11 -5.218 8.851 -14.073 1.00 1.73 N ATOM 0 H ARG A 11 -1.344 4.885 -11.807 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.080 5.060 -9.069 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.798 5.994 -11.358 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -3.633 6.681 -9.754 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.269 7.319 -10.320 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.533 6.727 -11.948 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -2.890 9.060 -10.566 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -1.907 9.090 -12.017 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.582 7.733 -11.947 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -2.180 9.778 -13.556 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -3.255 10.169 -14.903 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -5.956 8.280 -13.661 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -5.377 9.326 -14.962 1.00 1.73 H new ATOM 406 N ASP A 12 -3.782 3.122 -11.062 1.00 0.48 N ATOM 407 CA ASP A 12 -4.722 2.014 -11.175 1.00 0.50 C ATOM 408 C ASP A 12 -4.360 0.862 -10.240 1.00 0.52 C ATOM 409 O ASP A 12 -5.171 -0.038 -10.019 1.00 0.62 O ATOM 410 CB ASP A 12 -4.729 1.509 -12.617 1.00 0.51 C ATOM 411 CG ASP A 12 -6.080 1.674 -13.280 1.00 0.76 C ATOM 412 OD1 ASP A 12 -6.435 2.814 -13.639 1.00 1.02 O ATOM 413 OD2 ASP A 12 -6.793 0.666 -13.453 1.00 0.99 O ATOM 0 H ASP A 12 -3.255 3.296 -11.918 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.709 2.379 -10.889 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -3.977 2.049 -13.192 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -4.446 0.456 -12.632 1.00 0.51 H new ATOM 418 N LEU A 13 -3.138 0.872 -9.720 1.00 0.50 N ATOM 419 CA LEU A 13 -2.690 -0.170 -8.805 1.00 0.53 C ATOM 420 C LEU A 13 -2.950 0.235 -7.359 1.00 0.62 C ATOM 421 O LEU A 13 -3.246 -0.608 -6.514 1.00 0.93 O ATOM 422 CB LEU A 13 -1.194 -0.455 -8.989 1.00 0.49 C ATOM 423 CG LEU A 13 -0.752 -0.810 -10.410 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.734 -1.148 -10.432 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.575 -1.964 -10.960 1.00 0.88 C ATOM 0 H LEU A 13 -2.440 1.590 -9.916 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.255 -1.074 -9.033 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.634 0.422 -8.663 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.916 -1.275 -8.327 1.00 0.49 H new ATOM 0 HG LEU A 13 -0.920 0.057 -11.050 1.00 0.44 H new ATOM 0 HD11 LEU A 13 1.035 -1.399 -11.449 1.00 0.78 H new ATOM 0 HD12 LEU A 13 1.308 -0.289 -10.085 1.00 0.78 H new ATOM 0 HD13 LEU A 13 0.923 -1.999 -9.777 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.243 -2.198 -11.971 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.445 -2.839 -10.323 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -2.628 -1.683 -10.980 1.00 0.88 H new ATOM 437 N MET A 14 -2.837 1.530 -7.084 1.00 0.55 N ATOM 438 CA MET A 14 -2.986 2.040 -5.727 1.00 0.64 C ATOM 439 C MET A 14 -4.432 1.943 -5.258 1.00 0.55 C ATOM 440 O MET A 14 -5.363 2.151 -6.035 1.00 0.53 O ATOM 441 CB MET A 14 -2.512 3.497 -5.632 1.00 0.82 C ATOM 442 CG MET A 14 -1.010 3.671 -5.789 1.00 0.97 C ATOM 443 SD MET A 14 -0.439 5.314 -5.292 1.00 1.15 S ATOM 444 CE MET A 14 -1.311 6.363 -6.455 1.00 1.04 C ATOM 0 H MET A 14 -2.642 2.246 -7.784 1.00 0.55 H new ATOM 0 HA MET A 14 -2.365 1.422 -5.079 1.00 0.64 H new ATOM 0 HB2 MET A 14 -3.017 4.083 -6.399 1.00 0.82 H new ATOM 0 HB3 MET A 14 -2.816 3.905 -4.668 1.00 0.82 H new ATOM 0 HG2 MET A 14 -0.497 2.917 -5.192 1.00 0.97 H new ATOM 0 HG3 MET A 14 -0.735 3.495 -6.829 1.00 0.97 H new ATOM 0 HE1 MET A 14 -1.125 7.409 -6.211 1.00 1.04 H new ATOM 0 HE2 MET A 14 -0.958 6.158 -7.466 1.00 1.04 H new ATOM 0 HE3 MET A 14 -2.381 6.161 -6.396 1.00 1.04 H new ATOM 454 N PRO A 15 -4.636 1.619 -3.970 1.00 0.62 N ATOM 455 CA PRO A 15 -5.973 1.516 -3.384 1.00 0.67 C ATOM 456 C PRO A 15 -6.638 2.884 -3.237 1.00 0.59 C ATOM 457 O PRO A 15 -5.950 3.887 -3.040 1.00 0.57 O ATOM 458 CB PRO A 15 -5.719 0.886 -2.013 1.00 0.88 C ATOM 459 CG PRO A 15 -4.310 1.233 -1.680 1.00 0.90 C ATOM 460 CD PRO A 15 -3.576 1.319 -2.990 1.00 0.74 C ATOM 0 HA PRO A 15 -6.651 0.933 -4.007 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -6.409 1.278 -1.265 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -5.862 -0.194 -2.043 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -4.259 2.180 -1.143 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -3.865 0.476 -1.034 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -2.816 2.100 -2.972 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -3.067 0.384 -3.225 1.00 0.74 H new ATOM 468 N PRO A 16 -7.981 2.936 -3.335 1.00 0.65 N ATOM 469 CA PRO A 16 -8.754 4.188 -3.353 1.00 0.70 C ATOM 470 C PRO A 16 -8.300 5.201 -2.307 1.00 0.71 C ATOM 471 O PRO A 16 -8.058 6.364 -2.628 1.00 0.74 O ATOM 472 CB PRO A 16 -10.197 3.738 -3.068 1.00 0.85 C ATOM 473 CG PRO A 16 -10.123 2.273 -2.778 1.00 0.96 C ATOM 474 CD PRO A 16 -8.869 1.777 -3.433 1.00 0.76 C ATOM 0 HA PRO A 16 -8.630 4.704 -4.305 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -10.615 4.283 -2.221 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.843 3.934 -3.924 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -10.099 2.090 -1.704 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -10.998 1.754 -3.170 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.459 0.907 -2.919 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -9.041 1.484 -4.469 1.00 0.76 H new ATOM 482 N GLU A 17 -8.161 4.755 -1.067 1.00 0.78 N ATOM 483 CA GLU A 17 -7.799 5.643 0.031 1.00 0.89 C ATOM 484 C GLU A 17 -6.457 6.332 -0.218 1.00 0.84 C ATOM 485 O GLU A 17 -6.324 7.539 -0.018 1.00 1.13 O ATOM 486 CB GLU A 17 -7.768 4.861 1.342 1.00 1.09 C ATOM 487 CG GLU A 17 -9.093 4.186 1.659 1.00 1.48 C ATOM 488 CD GLU A 17 -9.051 3.377 2.934 1.00 1.36 C ATOM 489 OE1 GLU A 17 -8.402 2.310 2.940 1.00 1.65 O ATOM 490 OE2 GLU A 17 -9.688 3.787 3.926 1.00 1.83 O ATOM 0 H GLU A 17 -8.294 3.781 -0.794 1.00 0.78 H new ATOM 0 HA GLU A 17 -8.556 6.424 0.098 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -6.984 4.105 1.290 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -7.506 5.537 2.156 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -9.871 4.945 1.742 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -9.370 3.534 0.830 1.00 1.48 H new ATOM 497 N ALA A 18 -5.476 5.578 -0.702 1.00 0.72 N ATOM 498 CA ALA A 18 -4.148 6.128 -0.965 1.00 0.73 C ATOM 499 C ALA A 18 -4.157 7.028 -2.196 1.00 0.62 C ATOM 500 O ALA A 18 -3.161 7.683 -2.511 1.00 0.72 O ATOM 501 CB ALA A 18 -3.136 5.004 -1.134 1.00 0.82 C ATOM 0 H ALA A 18 -5.573 4.586 -0.920 1.00 0.72 H new ATOM 0 HA ALA A 18 -3.858 6.737 -0.109 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -2.151 5.428 -1.329 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -3.100 4.407 -0.223 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -3.431 4.371 -1.971 1.00 0.82 H new ATOM 507 N ARG A 19 -5.285 7.046 -2.890 1.00 0.52 N ATOM 508 CA ARG A 19 -5.461 7.890 -4.060 1.00 0.49 C ATOM 509 C ARG A 19 -6.266 9.133 -3.696 1.00 0.50 C ATOM 510 O ARG A 19 -6.052 10.203 -4.259 1.00 0.52 O ATOM 511 CB ARG A 19 -6.164 7.101 -5.164 1.00 0.52 C ATOM 512 CG ARG A 19 -5.374 5.889 -5.628 1.00 0.64 C ATOM 513 CD ARG A 19 -6.222 4.950 -6.470 1.00 0.72 C ATOM 514 NE ARG A 19 -6.687 5.572 -7.702 1.00 1.01 N ATOM 515 CZ ARG A 19 -7.285 4.910 -8.688 1.00 1.43 C ATOM 516 NH1 ARG A 19 -7.445 3.595 -8.614 1.00 1.46 N ATOM 517 NH2 ARG A 19 -7.699 5.565 -9.760 1.00 2.16 N ATOM 0 H ARG A 19 -6.100 6.478 -2.659 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.483 8.208 -4.422 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.140 6.775 -4.804 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.342 7.759 -6.015 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.511 6.218 -6.208 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -4.989 5.352 -4.761 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -5.641 4.060 -6.713 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -7.081 4.620 -5.886 1.00 0.72 H new ATOM 0 HE ARG A 19 -6.545 6.576 -7.815 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -7.108 3.085 -7.797 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -7.905 3.094 -9.374 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -7.559 6.573 -9.827 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -8.158 5.062 -10.519 1.00 2.16 H new ATOM 531 N ASP A 20 -7.186 8.972 -2.743 1.00 0.53 N ATOM 532 CA ASP A 20 -8.011 10.076 -2.234 1.00 0.57 C ATOM 533 C ASP A 20 -7.156 11.282 -1.858 1.00 0.56 C ATOM 534 O ASP A 20 -7.465 12.415 -2.221 1.00 0.57 O ATOM 535 CB ASP A 20 -8.819 9.613 -1.014 1.00 0.63 C ATOM 536 CG ASP A 20 -9.548 10.752 -0.317 1.00 0.80 C ATOM 537 OD1 ASP A 20 -10.582 11.215 -0.845 1.00 1.06 O ATOM 538 OD2 ASP A 20 -9.081 11.205 0.749 1.00 0.98 O ATOM 0 H ASP A 20 -7.382 8.074 -2.301 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.693 10.376 -3.030 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -9.545 8.863 -1.329 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -8.149 9.129 -0.304 1.00 0.63 H new ATOM 543 N PHE A 21 -6.073 11.024 -1.142 1.00 0.57 N ATOM 544 CA PHE A 21 -5.139 12.068 -0.740 1.00 0.57 C ATOM 545 C PHE A 21 -4.605 12.844 -1.953 1.00 0.55 C ATOM 546 O PHE A 21 -4.792 14.055 -2.017 1.00 0.64 O ATOM 547 CB PHE A 21 -4.008 11.459 0.102 1.00 0.60 C ATOM 548 CG PHE A 21 -3.106 12.465 0.768 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.503 13.119 1.922 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.865 12.766 0.225 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.679 14.053 2.525 1.00 0.65 C ATOM 552 CE2 PHE A 21 -1.038 13.700 0.822 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.434 14.301 2.022 1.00 0.63 C ATOM 0 H PHE A 21 -5.816 10.090 -0.823 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.668 12.793 -0.122 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.448 10.822 0.869 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.403 10.817 -0.538 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.467 12.898 2.356 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.541 12.265 -0.675 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -3.022 14.588 3.398 1.00 0.65 H new ATOM 0 HE2 PHE A 21 -0.095 13.963 0.366 1.00 0.65 H new ATOM 0 HZ PHE A 21 -0.758 14.958 2.548 1.00 0.63 H new ATOM 563 N LEU A 22 -3.999 12.191 -2.932 1.00 0.56 N ATOM 564 CA LEU A 22 -3.470 12.934 -4.087 1.00 0.55 C ATOM 565 C LEU A 22 -4.571 13.312 -5.077 1.00 0.54 C ATOM 566 O LEU A 22 -4.319 14.052 -6.030 1.00 0.57 O ATOM 567 CB LEU A 22 -2.339 12.190 -4.807 1.00 0.56 C ATOM 568 CG LEU A 22 -1.043 12.011 -4.016 1.00 0.65 C ATOM 569 CD1 LEU A 22 -0.688 13.296 -3.280 1.00 1.04 C ATOM 570 CD2 LEU A 22 -1.148 10.834 -3.056 1.00 1.13 C ATOM 0 H LEU A 22 -3.859 11.181 -2.962 1.00 0.56 H new ATOM 0 HA LEU A 22 -3.047 13.851 -3.676 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.705 11.204 -5.094 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.108 12.725 -5.728 1.00 0.56 H new ATOM 0 HG LEU A 22 -0.239 11.790 -4.718 1.00 0.65 H new ATOM 0 HD11 LEU A 22 0.237 13.152 -2.722 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.555 14.103 -4.000 1.00 1.04 H new ATOM 0 HD13 LEU A 22 -1.492 13.554 -2.590 1.00 1.04 H new ATOM 0 HD21 LEU A 22 -0.213 10.729 -2.506 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -1.964 11.008 -2.355 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -1.342 9.921 -3.619 1.00 1.13 H new ATOM 582 N GLN A 23 -5.773 12.815 -4.867 1.00 0.52 N ATOM 583 CA GLN A 23 -6.944 13.364 -5.534 1.00 0.52 C ATOM 584 C GLN A 23 -7.277 14.748 -4.963 1.00 0.53 C ATOM 585 O GLN A 23 -7.773 15.624 -5.674 1.00 0.54 O ATOM 586 CB GLN A 23 -8.132 12.419 -5.360 1.00 0.53 C ATOM 587 CG GLN A 23 -9.327 12.780 -6.225 1.00 0.78 C ATOM 588 CD GLN A 23 -10.437 11.752 -6.151 1.00 1.38 C ATOM 589 OE1 GLN A 23 -10.619 11.090 -5.129 1.00 2.05 O ATOM 590 NE2 GLN A 23 -11.182 11.603 -7.235 1.00 2.06 N ATOM 0 H GLN A 23 -5.968 12.033 -4.242 1.00 0.52 H new ATOM 0 HA GLN A 23 -6.730 13.469 -6.598 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -7.816 11.403 -5.597 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.437 12.421 -4.314 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.715 13.750 -5.914 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.002 12.884 -7.260 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -10.999 12.171 -8.062 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -11.939 10.920 -7.243 1.00 2.06 H new ATOM 599 N ASN A 24 -7.003 14.922 -3.670 1.00 0.58 N ATOM 600 CA ASN A 24 -7.256 16.190 -2.982 1.00 0.65 C ATOM 601 C ASN A 24 -6.129 17.199 -3.196 1.00 0.60 C ATOM 602 O ASN A 24 -6.391 18.357 -3.522 1.00 0.63 O ATOM 603 CB ASN A 24 -7.467 15.965 -1.482 1.00 0.85 C ATOM 604 CG ASN A 24 -8.886 15.544 -1.148 1.00 1.10 C ATOM 605 OD1 ASN A 24 -9.756 16.382 -0.913 1.00 1.84 O ATOM 606 ND2 ASN A 24 -9.133 14.247 -1.122 1.00 1.21 N ATOM 0 H ASN A 24 -6.604 14.197 -3.074 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.165 16.605 -3.417 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -6.773 15.200 -1.132 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -7.228 16.882 -0.944 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -10.070 13.911 -0.902 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -8.386 13.582 -1.322 1.00 1.21 H new ATOM 613 N LEU A 25 -4.884 16.772 -2.980 1.00 0.60 N ATOM 614 CA LEU A 25 -3.720 17.628 -3.184 1.00 0.65 C ATOM 615 C LEU A 25 -3.740 18.256 -4.574 1.00 0.64 C ATOM 616 O LEU A 25 -3.977 17.583 -5.579 1.00 0.64 O ATOM 617 CB LEU A 25 -2.422 16.831 -2.984 1.00 0.76 C ATOM 618 CG LEU A 25 -1.990 16.559 -1.541 1.00 0.59 C ATOM 619 CD1 LEU A 25 -1.446 17.812 -0.924 1.00 0.81 C ATOM 620 CD2 LEU A 25 -3.130 16.040 -0.691 1.00 1.05 C ATOM 0 H LEU A 25 -4.657 15.830 -2.661 1.00 0.60 H new ATOM 0 HA LEU A 25 -3.759 18.428 -2.445 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.531 15.873 -3.491 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -1.615 17.366 -3.484 1.00 0.76 H new ATOM 0 HG LEU A 25 -1.219 15.790 -1.576 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.141 17.609 0.103 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -0.585 18.156 -1.497 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.216 18.584 -0.928 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -2.775 15.862 0.324 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -3.933 16.777 -0.671 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -3.504 15.107 -1.114 1.00 1.05 H new ATOM 632 N SER A 26 -3.469 19.556 -4.617 1.00 0.73 N ATOM 633 CA SER A 26 -3.568 20.320 -5.846 1.00 0.83 C ATOM 634 C SER A 26 -2.301 21.144 -6.092 1.00 1.02 C ATOM 635 O SER A 26 -1.529 20.836 -7.001 1.00 1.78 O ATOM 636 CB SER A 26 -4.804 21.230 -5.804 1.00 0.93 C ATOM 637 OG SER A 26 -5.008 21.891 -7.043 1.00 1.72 O ATOM 0 H SER A 26 -3.177 20.102 -3.806 1.00 0.73 H new ATOM 0 HA SER A 26 -3.673 19.619 -6.674 1.00 0.83 H new ATOM 0 HB2 SER A 26 -5.685 20.637 -5.558 1.00 0.93 H new ATOM 0 HB3 SER A 26 -4.686 21.969 -5.012 1.00 0.93 H new ATOM 0 HG SER A 26 -4.307 22.564 -7.174 1.00 1.72 H new ATOM 643 N ASP A 27 -2.071 22.174 -5.279 1.00 0.96 N ATOM 644 CA ASP A 27 -0.978 23.111 -5.540 1.00 1.11 C ATOM 645 C ASP A 27 -0.274 23.548 -4.257 1.00 1.13 C ATOM 646 O ASP A 27 0.809 23.055 -3.930 1.00 1.95 O ATOM 647 CB ASP A 27 -1.498 24.352 -6.276 1.00 1.42 C ATOM 648 CG ASP A 27 -2.005 24.052 -7.673 1.00 1.84 C ATOM 649 OD1 ASP A 27 -3.193 23.680 -7.817 1.00 2.19 O ATOM 650 OD2 ASP A 27 -1.228 24.207 -8.636 1.00 2.39 O ATOM 0 H ASP A 27 -2.619 22.380 -4.444 1.00 0.96 H new ATOM 0 HA ASP A 27 -0.255 22.585 -6.163 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -2.303 24.801 -5.694 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -0.699 25.091 -6.338 1.00 1.42 H new ATOM 655 N GLY A 28 -0.900 24.470 -3.529 1.00 0.93 N ATOM 656 CA GLY A 28 -0.276 25.061 -2.353 1.00 0.87 C ATOM 657 C GLY A 28 0.002 24.043 -1.269 1.00 0.75 C ATOM 658 O GLY A 28 0.963 24.171 -0.509 1.00 0.73 O ATOM 0 H GLY A 28 -1.835 24.821 -3.734 1.00 0.93 H new ATOM 0 HA2 GLY A 28 0.658 25.541 -2.644 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -0.925 25.842 -1.956 1.00 0.87 H new ATOM 662 N ASP A 29 -0.838 23.031 -1.209 1.00 0.70 N ATOM 663 CA ASP A 29 -0.666 21.935 -0.270 1.00 0.67 C ATOM 664 C ASP A 29 0.581 21.118 -0.608 1.00 0.59 C ATOM 665 O ASP A 29 1.433 20.906 0.247 1.00 0.60 O ATOM 666 CB ASP A 29 -1.914 21.053 -0.260 1.00 0.80 C ATOM 667 CG ASP A 29 -2.551 20.910 -1.634 1.00 1.47 C ATOM 668 OD1 ASP A 29 -1.859 20.505 -2.588 1.00 2.25 O ATOM 669 OD2 ASP A 29 -3.744 21.237 -1.771 1.00 1.74 O ATOM 0 H ASP A 29 -1.659 22.942 -1.808 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.528 22.350 0.728 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -1.651 20.065 0.117 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -2.644 21.474 0.431 1.00 0.80 H new ATOM 674 N LYS A 30 0.704 20.686 -1.858 1.00 0.63 N ATOM 675 CA LYS A 30 1.894 19.955 -2.309 1.00 0.65 C ATOM 676 C LYS A 30 3.157 20.772 -2.068 1.00 0.61 C ATOM 677 O LYS A 30 4.242 20.224 -1.877 1.00 0.65 O ATOM 678 CB LYS A 30 1.791 19.630 -3.793 1.00 0.78 C ATOM 679 CG LYS A 30 0.606 18.762 -4.158 1.00 0.92 C ATOM 680 CD LYS A 30 0.459 18.672 -5.661 1.00 0.89 C ATOM 681 CE LYS A 30 -0.771 17.885 -6.059 1.00 0.96 C ATOM 682 NZ LYS A 30 -1.092 18.079 -7.495 1.00 1.31 N ATOM 0 H LYS A 30 -0.002 20.827 -2.580 1.00 0.63 H new ATOM 0 HA LYS A 30 1.950 19.030 -1.735 1.00 0.65 H new ATOM 0 HB2 LYS A 30 1.730 20.562 -4.354 1.00 0.78 H new ATOM 0 HB3 LYS A 30 2.706 19.127 -4.108 1.00 0.78 H new ATOM 0 HG2 LYS A 30 0.736 17.764 -3.739 1.00 0.92 H new ATOM 0 HG3 LYS A 30 -0.303 19.175 -3.722 1.00 0.92 H new ATOM 0 HD2 LYS A 30 0.400 19.676 -6.081 1.00 0.89 H new ATOM 0 HD3 LYS A 30 1.345 18.200 -6.085 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -0.608 16.826 -5.860 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -1.619 18.197 -5.449 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.830 17.404 -7.780 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -1.434 19.049 -7.646 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -0.238 17.920 -8.066 1.00 1.31 H new ATOM 696 N THR A 31 2.993 22.089 -2.062 1.00 0.60 N ATOM 697 CA THR A 31 4.101 23.011 -1.867 1.00 0.61 C ATOM 698 C THR A 31 4.688 22.860 -0.470 1.00 0.52 C ATOM 699 O THR A 31 5.861 23.132 -0.240 1.00 0.54 O ATOM 700 CB THR A 31 3.631 24.463 -2.055 1.00 0.68 C ATOM 701 OG1 THR A 31 2.998 24.614 -3.336 1.00 0.80 O ATOM 702 CG2 THR A 31 4.795 25.440 -1.948 1.00 0.76 C ATOM 0 H THR A 31 2.090 22.545 -2.192 1.00 0.60 H new ATOM 0 HA THR A 31 4.865 22.774 -2.608 1.00 0.61 H new ATOM 0 HB THR A 31 2.917 24.687 -1.262 1.00 0.68 H new ATOM 0 HG1 THR A 31 2.194 24.055 -3.372 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.430 26.458 -2.085 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.256 25.350 -0.965 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.533 25.212 -2.717 1.00 0.76 H new ATOM 710 N VAL A 32 3.869 22.419 0.463 1.00 0.50 N ATOM 711 CA VAL A 32 4.314 22.285 1.828 1.00 0.50 C ATOM 712 C VAL A 32 4.709 20.836 2.132 1.00 0.47 C ATOM 713 O VAL A 32 5.509 20.582 3.033 1.00 0.48 O ATOM 714 CB VAL A 32 3.242 22.801 2.805 1.00 0.57 C ATOM 715 CG1 VAL A 32 2.089 21.835 2.942 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.855 23.104 4.147 1.00 0.85 C ATOM 0 H VAL A 32 2.899 22.150 0.299 1.00 0.50 H new ATOM 0 HA VAL A 32 5.203 22.901 1.963 1.00 0.50 H new ATOM 0 HB VAL A 32 2.836 23.724 2.391 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.357 22.239 3.641 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.620 21.688 1.969 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.457 20.879 3.315 1.00 0.60 H new ATOM 0 HG21 VAL A 32 3.083 23.468 4.826 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.301 22.197 4.557 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.625 23.867 4.031 1.00 0.85 H new ATOM 720 N LEU A 33 4.157 19.889 1.367 1.00 0.48 N ATOM 721 CA LEU A 33 4.585 18.493 1.430 1.00 0.49 C ATOM 722 C LEU A 33 6.096 18.369 1.221 1.00 0.50 C ATOM 723 O LEU A 33 6.786 17.727 2.013 1.00 0.54 O ATOM 724 CB LEU A 33 3.857 17.658 0.364 1.00 0.53 C ATOM 725 CG LEU A 33 2.535 16.992 0.785 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.755 16.053 1.954 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.466 18.013 1.126 1.00 0.74 C ATOM 0 H LEU A 33 3.410 20.067 0.695 1.00 0.48 H new ATOM 0 HA LEU A 33 4.334 18.117 2.422 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.655 18.302 -0.492 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.536 16.877 0.022 1.00 0.53 H new ATOM 0 HG LEU A 33 2.181 16.417 -0.070 1.00 0.58 H new ATOM 0 HD11 LEU A 33 1.807 15.593 2.235 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.464 15.276 1.668 1.00 0.98 H new ATOM 0 HD13 LEU A 33 3.152 16.613 2.801 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.551 17.498 1.417 1.00 0.74 H new ATOM 0 HD22 LEU A 33 1.809 18.638 1.951 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.269 18.638 0.255 1.00 0.74 H new ATOM 739 N LYS A 34 6.606 18.993 0.161 1.00 0.51 N ATOM 740 CA LYS A 34 8.029 18.895 -0.174 1.00 0.56 C ATOM 741 C LYS A 34 8.908 19.537 0.899 1.00 0.53 C ATOM 742 O LYS A 34 10.067 19.161 1.070 1.00 0.59 O ATOM 743 CB LYS A 34 8.312 19.494 -1.564 1.00 0.65 C ATOM 744 CG LYS A 34 7.626 20.825 -1.851 1.00 0.93 C ATOM 745 CD LYS A 34 8.379 22.012 -1.269 1.00 0.89 C ATOM 746 CE LYS A 34 9.665 22.301 -2.024 1.00 1.70 C ATOM 747 NZ LYS A 34 10.286 23.572 -1.573 1.00 2.41 N ATOM 0 H LYS A 34 6.060 19.570 -0.479 1.00 0.51 H new ATOM 0 HA LYS A 34 8.286 17.836 -0.208 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.388 19.628 -1.672 1.00 0.65 H new ATOM 0 HB3 LYS A 34 8.003 18.774 -2.322 1.00 0.65 H new ATOM 0 HG2 LYS A 34 7.530 20.954 -2.929 1.00 0.93 H new ATOM 0 HG3 LYS A 34 6.616 20.804 -1.441 1.00 0.93 H new ATOM 0 HD2 LYS A 34 7.739 22.894 -1.294 1.00 0.89 H new ATOM 0 HD3 LYS A 34 8.610 21.816 -0.222 1.00 0.89 H new ATOM 0 HE2 LYS A 34 10.367 21.480 -1.878 1.00 1.70 H new ATOM 0 HE3 LYS A 34 9.457 22.356 -3.093 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 11.144 23.757 -2.132 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 9.612 24.353 -1.704 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 10.538 23.497 -0.567 1.00 2.41 H new ATOM 761 N GLU A 35 8.344 20.488 1.630 1.00 0.47 N ATOM 762 CA GLU A 35 9.037 21.113 2.749 1.00 0.47 C ATOM 763 C GLU A 35 9.203 20.118 3.889 1.00 0.46 C ATOM 764 O GLU A 35 10.246 20.074 4.541 1.00 0.57 O ATOM 765 CB GLU A 35 8.260 22.337 3.234 1.00 0.47 C ATOM 766 CG GLU A 35 8.158 23.445 2.202 1.00 0.61 C ATOM 767 CD GLU A 35 9.497 24.082 1.902 1.00 1.26 C ATOM 768 OE1 GLU A 35 10.253 23.517 1.083 1.00 1.96 O ATOM 769 OE2 GLU A 35 9.804 25.140 2.480 1.00 1.47 O ATOM 0 H GLU A 35 7.403 20.846 1.467 1.00 0.47 H new ATOM 0 HA GLU A 35 10.024 21.431 2.413 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.255 22.028 3.522 1.00 0.47 H new ATOM 0 HB3 GLU A 35 8.741 22.730 4.129 1.00 0.47 H new ATOM 0 HG2 GLU A 35 7.737 23.042 1.281 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.468 24.209 2.561 1.00 0.61 H new ATOM 776 N VAL A 36 8.178 19.314 4.108 1.00 0.41 N ATOM 777 CA VAL A 36 8.209 18.290 5.142 1.00 0.42 C ATOM 778 C VAL A 36 9.160 17.165 4.747 1.00 0.50 C ATOM 779 O VAL A 36 10.041 16.783 5.514 1.00 0.62 O ATOM 780 CB VAL A 36 6.792 17.726 5.387 1.00 0.43 C ATOM 781 CG1 VAL A 36 6.819 16.571 6.373 1.00 0.98 C ATOM 782 CG2 VAL A 36 5.871 18.830 5.879 1.00 0.74 C ATOM 0 H VAL A 36 7.306 19.350 3.580 1.00 0.41 H new ATOM 0 HA VAL A 36 8.568 18.745 6.065 1.00 0.42 H new ATOM 0 HB VAL A 36 6.410 17.341 4.441 1.00 0.43 H new ATOM 0 HG11 VAL A 36 5.806 16.197 6.523 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.446 15.771 5.979 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.224 16.915 7.325 1.00 0.98 H new ATOM 0 HG21 VAL A 36 4.874 18.423 6.049 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.260 19.240 6.811 1.00 0.74 H new ATOM 0 HG23 VAL A 36 5.818 19.620 5.130 1.00 0.74 H new ATOM 786 N PHE A 37 8.979 16.662 3.536 1.00 0.49 N ATOM 787 CA PHE A 37 9.818 15.618 2.971 1.00 0.54 C ATOM 788 C PHE A 37 11.304 15.946 2.975 1.00 0.59 C ATOM 789 O PHE A 37 12.113 15.113 3.382 1.00 0.66 O ATOM 790 CB PHE A 37 9.336 15.321 1.558 1.00 0.57 C ATOM 791 CG PHE A 37 8.230 14.306 1.597 1.00 0.57 C ATOM 792 CD1 PHE A 37 8.504 12.951 1.556 1.00 0.66 C ATOM 793 CD2 PHE A 37 6.909 14.717 1.615 1.00 0.74 C ATOM 794 CE1 PHE A 37 7.478 12.025 1.535 1.00 0.68 C ATOM 795 CE2 PHE A 37 5.881 13.796 1.603 1.00 0.83 C ATOM 796 CZ PHE A 37 6.207 12.411 1.780 1.00 0.71 C ATOM 0 H PHE A 37 8.235 16.972 2.910 1.00 0.49 H new ATOM 0 HA PHE A 37 9.720 14.740 3.609 1.00 0.54 H new ATOM 0 HB2 PHE A 37 8.984 16.237 1.085 1.00 0.57 H new ATOM 0 HB3 PHE A 37 10.163 14.948 0.954 1.00 0.57 H new ATOM 0 HD1 PHE A 37 9.530 12.613 1.540 1.00 0.66 H new ATOM 0 HD2 PHE A 37 6.679 15.772 1.639 1.00 0.74 H new ATOM 0 HE1 PHE A 37 7.694 10.988 1.322 1.00 0.68 H new ATOM 0 HE2 PHE A 37 4.857 14.111 1.464 1.00 0.83 H new ATOM 0 HZ PHE A 37 5.460 11.699 2.099 1.00 0.71 H new ATOM 806 N LYS A 38 11.681 17.146 2.554 1.00 0.60 N ATOM 807 CA LYS A 38 13.100 17.468 2.470 1.00 0.69 C ATOM 808 C LYS A 38 13.638 17.944 3.815 1.00 0.78 C ATOM 809 O LYS A 38 14.784 18.384 3.925 1.00 1.02 O ATOM 810 CB LYS A 38 13.378 18.487 1.363 1.00 0.75 C ATOM 811 CG LYS A 38 13.087 17.941 -0.025 1.00 0.76 C ATOM 812 CD LYS A 38 13.706 18.797 -1.118 1.00 0.91 C ATOM 813 CE LYS A 38 13.118 20.195 -1.141 1.00 1.37 C ATOM 814 NZ LYS A 38 13.768 21.053 -2.167 1.00 2.18 N ATOM 0 H LYS A 38 11.046 17.893 2.273 1.00 0.60 H new ATOM 0 HA LYS A 38 13.631 16.553 2.209 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.771 19.377 1.533 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.421 18.798 1.415 1.00 0.75 H new ATOM 0 HG2 LYS A 38 13.470 16.923 -0.101 1.00 0.76 H new ATOM 0 HG3 LYS A 38 12.009 17.887 -0.174 1.00 0.76 H new ATOM 0 HD2 LYS A 38 14.783 18.859 -0.965 1.00 0.91 H new ATOM 0 HD3 LYS A 38 13.548 18.321 -2.086 1.00 0.91 H new ATOM 0 HE2 LYS A 38 12.048 20.136 -1.342 1.00 1.37 H new ATOM 0 HE3 LYS A 38 13.233 20.653 -0.159 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 13.338 22.000 -2.151 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 14.784 21.131 -1.961 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 13.637 20.629 -3.108 1.00 2.18 H new ATOM 828 N ALA A 39 12.806 17.833 4.840 1.00 0.71 N ATOM 829 CA ALA A 39 13.225 18.076 6.211 1.00 0.87 C ATOM 830 C ALA A 39 13.360 16.743 6.934 1.00 0.82 C ATOM 831 O ALA A 39 13.498 16.684 8.157 1.00 1.56 O ATOM 832 CB ALA A 39 12.237 18.985 6.926 1.00 1.06 C ATOM 0 H ALA A 39 11.824 17.573 4.745 1.00 0.71 H new ATOM 0 HA ALA A 39 14.190 18.582 6.209 1.00 0.87 H new ATOM 0 HB1 ALA A 39 12.572 19.152 7.950 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.177 19.940 6.403 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.253 18.515 6.938 1.00 1.06 H new ATOM 838 N GLY A 40 13.332 15.670 6.152 1.00 0.78 N ATOM 839 CA GLY A 40 13.547 14.345 6.689 1.00 1.03 C ATOM 840 C GLY A 40 14.984 13.903 6.501 1.00 1.29 C ATOM 841 O GLY A 40 15.879 14.749 6.429 1.00 1.54 O ATOM 0 H GLY A 40 13.162 15.698 5.147 1.00 0.78 H new ATOM 0 HA2 GLY A 40 13.297 14.335 7.750 1.00 1.03 H new ATOM 0 HA3 GLY A 40 12.879 13.638 6.197 1.00 1.03 H new ATOM 845 N PRO A 41 15.256 12.591 6.400 1.00 1.37 N ATOM 846 CA PRO A 41 14.241 11.530 6.472 1.00 1.22 C ATOM 847 C PRO A 41 13.668 11.359 7.876 1.00 1.09 C ATOM 848 O PRO A 41 14.322 11.672 8.874 1.00 1.18 O ATOM 849 CB PRO A 41 15.010 10.261 6.068 1.00 1.37 C ATOM 850 CG PRO A 41 16.302 10.739 5.499 1.00 1.60 C ATOM 851 CD PRO A 41 16.594 12.031 6.194 1.00 1.68 C ATOM 0 HA PRO A 41 13.386 11.756 5.834 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.177 9.613 6.929 1.00 1.37 H new ATOM 0 HB3 PRO A 41 14.450 9.680 5.335 1.00 1.37 H new ATOM 0 HG2 PRO A 41 17.098 10.014 5.669 1.00 1.60 H new ATOM 0 HG3 PRO A 41 16.227 10.882 4.421 1.00 1.60 H new ATOM 0 HD2 PRO A 41 17.118 11.875 7.137 1.00 1.68 H new ATOM 0 HD3 PRO A 41 17.219 12.686 5.587 1.00 1.68 H new ATOM 859 N TYR A 42 12.443 10.863 7.943 1.00 0.99 N ATOM 860 CA TYR A 42 11.775 10.626 9.211 1.00 0.92 C ATOM 861 C TYR A 42 11.782 9.143 9.535 1.00 0.97 C ATOM 862 O TYR A 42 11.619 8.299 8.653 1.00 1.08 O ATOM 863 CB TYR A 42 10.340 11.147 9.160 1.00 0.85 C ATOM 864 CG TYR A 42 10.254 12.638 8.937 1.00 0.87 C ATOM 865 CD1 TYR A 42 10.418 13.527 9.989 1.00 0.90 C ATOM 866 CD2 TYR A 42 10.002 13.152 7.673 1.00 0.99 C ATOM 867 CE1 TYR A 42 10.333 14.888 9.786 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.919 14.513 7.463 1.00 1.10 C ATOM 869 CZ TYR A 42 10.110 15.379 8.532 1.00 1.12 C ATOM 870 OH TYR A 42 10.000 16.733 8.317 1.00 1.28 O ATOM 0 H TYR A 42 11.887 10.615 7.125 1.00 0.99 H new ATOM 0 HA TYR A 42 12.312 11.161 9.994 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.803 10.635 8.361 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.836 10.897 10.094 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.615 13.148 10.981 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.869 12.476 6.841 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.443 15.566 10.619 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.708 14.901 6.478 1.00 1.10 H new ATOM 0 HH TYR A 42 9.923 16.906 7.356 1.00 1.28 H new ATOM 880 N LYS A 43 11.990 8.840 10.803 1.00 0.96 N ATOM 881 CA LYS A 43 12.041 7.465 11.278 1.00 1.01 C ATOM 882 C LYS A 43 10.635 6.888 11.373 1.00 0.98 C ATOM 883 O LYS A 43 10.445 5.675 11.462 1.00 1.06 O ATOM 884 CB LYS A 43 12.733 7.429 12.648 1.00 1.10 C ATOM 885 CG LYS A 43 12.850 6.045 13.262 1.00 1.72 C ATOM 886 CD LYS A 43 13.500 6.109 14.632 1.00 2.26 C ATOM 887 CE LYS A 43 13.508 4.752 15.315 1.00 2.94 C ATOM 888 NZ LYS A 43 14.131 4.814 16.663 1.00 3.51 N ATOM 0 H LYS A 43 12.129 9.538 11.534 1.00 0.96 H new ATOM 0 HA LYS A 43 12.610 6.858 10.574 1.00 1.01 H new ATOM 0 HB2 LYS A 43 13.732 7.853 12.547 1.00 1.10 H new ATOM 0 HB3 LYS A 43 12.183 8.071 13.335 1.00 1.10 H new ATOM 0 HG2 LYS A 43 11.860 5.596 13.346 1.00 1.72 H new ATOM 0 HG3 LYS A 43 13.437 5.401 12.607 1.00 1.72 H new ATOM 0 HD2 LYS A 43 14.523 6.472 14.533 1.00 2.26 H new ATOM 0 HD3 LYS A 43 12.966 6.827 15.255 1.00 2.26 H new ATOM 0 HE2 LYS A 43 12.486 4.384 15.404 1.00 2.94 H new ATOM 0 HE3 LYS A 43 14.051 4.037 14.697 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 14.117 3.868 17.096 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 15.115 5.141 16.576 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 13.598 5.477 17.262 1.00 3.51 H new ATOM 902 N ASN A 44 9.648 7.771 11.341 1.00 0.88 N ATOM 903 CA ASN A 44 8.256 7.379 11.485 1.00 0.85 C ATOM 904 C ASN A 44 7.346 8.393 10.798 1.00 0.80 C ATOM 905 O ASN A 44 7.652 9.587 10.751 1.00 0.85 O ATOM 906 CB ASN A 44 7.898 7.253 12.974 1.00 0.89 C ATOM 907 CG ASN A 44 8.471 8.364 13.850 1.00 0.95 C ATOM 908 OD1 ASN A 44 8.776 8.138 15.019 1.00 1.52 O ATOM 909 ND2 ASN A 44 8.625 9.562 13.303 1.00 1.10 N ATOM 0 H ASN A 44 9.789 8.773 11.215 1.00 0.88 H new ATOM 0 HA ASN A 44 8.110 6.410 11.008 1.00 0.85 H new ATOM 0 HB2 ASN A 44 6.813 7.248 13.076 1.00 0.89 H new ATOM 0 HB3 ASN A 44 8.258 6.292 13.343 1.00 0.89 H new ATOM 0 HD21 ASN A 44 9.007 10.330 13.856 1.00 1.10 H new ATOM 0 HD22 ASN A 44 8.362 9.716 12.330 1.00 1.10 H new ATOM 916 N THR A 45 6.221 7.909 10.273 1.00 0.77 N ATOM 917 CA THR A 45 5.296 8.746 9.519 1.00 0.76 C ATOM 918 C THR A 45 4.598 9.764 10.421 1.00 0.74 C ATOM 919 O THR A 45 4.056 10.758 9.936 1.00 0.92 O ATOM 920 CB THR A 45 4.236 7.893 8.780 1.00 0.84 C ATOM 921 OG1 THR A 45 3.377 8.732 7.993 1.00 1.05 O ATOM 922 CG2 THR A 45 3.393 7.090 9.763 1.00 1.18 C ATOM 0 H THR A 45 5.929 6.935 10.358 1.00 0.77 H new ATOM 0 HA THR A 45 5.890 9.284 8.780 1.00 0.76 H new ATOM 0 HB THR A 45 4.767 7.201 8.127 1.00 0.84 H new ATOM 0 HG1 THR A 45 2.441 8.511 8.183 1.00 1.05 H new ATOM 0 HG21 THR A 45 2.658 6.501 9.215 1.00 1.18 H new ATOM 0 HG22 THR A 45 4.038 6.424 10.336 1.00 1.18 H new ATOM 0 HG23 THR A 45 2.880 7.770 10.442 1.00 1.18 H new ATOM 930 N GLU A 46 4.615 9.507 11.726 1.00 0.72 N ATOM 931 CA GLU A 46 4.052 10.424 12.711 1.00 0.71 C ATOM 932 C GLU A 46 4.703 11.801 12.602 1.00 0.66 C ATOM 933 O GLU A 46 4.019 12.822 12.570 1.00 0.65 O ATOM 934 CB GLU A 46 4.260 9.859 14.117 1.00 0.79 C ATOM 935 CG GLU A 46 3.649 10.708 15.217 1.00 1.41 C ATOM 936 CD GLU A 46 3.853 10.105 16.588 1.00 1.82 C ATOM 937 OE1 GLU A 46 3.016 9.288 17.017 1.00 2.12 O ATOM 938 OE2 GLU A 46 4.853 10.444 17.251 1.00 2.24 O ATOM 0 H GLU A 46 5.018 8.661 12.129 1.00 0.72 H new ATOM 0 HA GLU A 46 2.985 10.532 12.517 1.00 0.71 H new ATOM 0 HB2 GLU A 46 3.831 8.858 14.163 1.00 0.79 H new ATOM 0 HB3 GLU A 46 5.329 9.756 14.302 1.00 0.79 H new ATOM 0 HG2 GLU A 46 4.090 11.704 15.191 1.00 1.41 H new ATOM 0 HG3 GLU A 46 2.582 10.827 15.030 1.00 1.41 H new ATOM 945 N GLU A 47 6.029 11.814 12.512 1.00 0.67 N ATOM 946 CA GLU A 47 6.785 13.054 12.398 1.00 0.67 C ATOM 947 C GLU A 47 6.450 13.792 11.107 1.00 0.60 C ATOM 948 O GLU A 47 6.516 15.021 11.046 1.00 0.58 O ATOM 949 CB GLU A 47 8.276 12.752 12.451 1.00 0.73 C ATOM 950 CG GLU A 47 8.935 13.142 13.759 1.00 0.98 C ATOM 951 CD GLU A 47 8.217 12.602 14.975 1.00 1.64 C ATOM 952 OE1 GLU A 47 8.439 11.428 15.330 1.00 2.26 O ATOM 953 OE2 GLU A 47 7.410 13.343 15.565 1.00 2.03 O ATOM 0 H GLU A 47 6.605 10.972 12.516 1.00 0.67 H new ATOM 0 HA GLU A 47 6.511 13.698 13.234 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.427 11.686 12.283 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.772 13.277 11.635 1.00 0.73 H new ATOM 0 HG2 GLU A 47 9.963 12.780 13.762 1.00 0.98 H new ATOM 0 HG3 GLU A 47 8.980 14.229 13.825 1.00 0.98 H new ATOM 960 N SER A 48 6.090 13.040 10.078 1.00 0.58 N ATOM 961 CA SER A 48 5.716 13.623 8.801 1.00 0.54 C ATOM 962 C SER A 48 4.346 14.290 8.920 1.00 0.51 C ATOM 963 O SER A 48 4.130 15.389 8.410 1.00 0.49 O ATOM 964 CB SER A 48 5.703 12.545 7.713 1.00 0.57 C ATOM 965 OG SER A 48 5.513 13.101 6.423 1.00 1.19 O ATOM 0 H SER A 48 6.049 12.021 10.104 1.00 0.58 H new ATOM 0 HA SER A 48 6.449 14.380 8.522 1.00 0.54 H new ATOM 0 HB2 SER A 48 6.643 11.994 7.736 1.00 0.57 H new ATOM 0 HB3 SER A 48 4.908 11.829 7.921 1.00 0.57 H new ATOM 0 HG SER A 48 5.352 12.382 5.777 1.00 1.19 H new ATOM 971 N ILE A 49 3.432 13.614 9.608 1.00 0.51 N ATOM 972 CA ILE A 49 2.098 14.141 9.856 1.00 0.49 C ATOM 973 C ILE A 49 2.176 15.369 10.754 1.00 0.49 C ATOM 974 O ILE A 49 1.557 16.397 10.483 1.00 0.47 O ATOM 975 CB ILE A 49 1.202 13.067 10.512 1.00 0.51 C ATOM 976 CG1 ILE A 49 1.010 11.886 9.556 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.140 13.659 10.915 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.233 10.738 10.157 1.00 0.55 C ATOM 0 H ILE A 49 3.595 12.690 10.007 1.00 0.51 H new ATOM 0 HA ILE A 49 1.659 14.426 8.900 1.00 0.49 H new ATOM 0 HB ILE A 49 1.695 12.706 11.415 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.493 12.234 8.662 1.00 0.52 H new ATOM 0 HG13 ILE A 49 1.988 11.524 9.238 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.755 12.886 11.375 1.00 0.50 H new ATOM 0 HG22 ILE A 49 0.019 14.468 11.628 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.646 14.048 10.031 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.137 9.939 9.422 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.759 10.362 11.035 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.759 11.083 10.449 1.00 0.55 H new ATOM 985 N ALA A 50 2.959 15.242 11.817 1.00 0.52 N ATOM 986 CA ALA A 50 3.215 16.331 12.750 1.00 0.53 C ATOM 987 C ALA A 50 3.712 17.580 12.034 1.00 0.50 C ATOM 988 O ALA A 50 3.196 18.676 12.255 1.00 0.50 O ATOM 989 CB ALA A 50 4.244 15.883 13.765 1.00 0.57 C ATOM 0 H ALA A 50 3.438 14.374 12.058 1.00 0.52 H new ATOM 0 HA ALA A 50 2.278 16.583 13.246 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.440 16.694 14.466 1.00 0.57 H new ATOM 0 HB2 ALA A 50 3.866 15.017 14.308 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.168 15.615 13.253 1.00 0.57 H new ATOM 995 N ALA A 51 4.712 17.407 11.178 1.00 0.49 N ATOM 996 CA ALA A 51 5.281 18.520 10.428 1.00 0.48 C ATOM 997 C ALA A 51 4.212 19.210 9.590 1.00 0.45 C ATOM 998 O ALA A 51 4.160 20.437 9.508 1.00 0.47 O ATOM 999 CB ALA A 51 6.410 18.026 9.538 1.00 0.50 C ATOM 0 H ALA A 51 5.146 16.504 10.986 1.00 0.49 H new ATOM 0 HA ALA A 51 5.680 19.246 11.137 1.00 0.48 H new ATOM 0 HB1 ALA A 51 6.829 18.865 8.982 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.188 17.575 10.154 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.024 17.284 8.839 1.00 0.50 H new ATOM 1005 N LEU A 52 3.346 18.403 8.988 1.00 0.42 N ATOM 1006 CA LEU A 52 2.275 18.914 8.140 1.00 0.40 C ATOM 1007 C LEU A 52 1.222 19.638 8.965 1.00 0.39 C ATOM 1008 O LEU A 52 0.677 20.641 8.523 1.00 0.40 O ATOM 1009 CB LEU A 52 1.632 17.782 7.336 1.00 0.40 C ATOM 1010 CG LEU A 52 2.450 17.276 6.147 1.00 0.41 C ATOM 1011 CD1 LEU A 52 1.896 15.956 5.642 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.447 18.307 5.032 1.00 0.41 C ATOM 0 H LEU A 52 3.365 17.387 9.072 1.00 0.42 H new ATOM 0 HA LEU A 52 2.715 19.628 7.444 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.442 16.945 8.007 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.664 18.123 6.970 1.00 0.40 H new ATOM 0 HG LEU A 52 3.477 17.116 6.477 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.491 15.612 4.796 1.00 0.45 H new ATOM 0 HD12 LEU A 52 1.937 15.215 6.440 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.862 16.092 5.327 1.00 0.45 H new ATOM 0 HD21 LEU A 52 3.033 17.935 4.191 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.422 18.490 4.708 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.884 19.237 5.395 1.00 0.41 H new ATOM 1024 N LYS A 53 0.939 19.135 10.155 1.00 0.39 N ATOM 1025 CA LYS A 53 -0.023 19.777 11.048 1.00 0.39 C ATOM 1026 C LYS A 53 0.438 21.174 11.464 1.00 0.40 C ATOM 1027 O LYS A 53 -0.369 22.099 11.580 1.00 0.45 O ATOM 1028 CB LYS A 53 -0.239 18.926 12.293 1.00 0.41 C ATOM 1029 CG LYS A 53 -1.046 17.663 12.053 1.00 0.42 C ATOM 1030 CD LYS A 53 -1.140 16.845 13.327 1.00 0.52 C ATOM 1031 CE LYS A 53 -2.101 15.681 13.188 1.00 0.52 C ATOM 1032 NZ LYS A 53 -2.209 14.911 14.453 1.00 1.22 N ATOM 0 H LYS A 53 1.359 18.284 10.529 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.960 19.873 10.500 1.00 0.39 H new ATOM 0 HB2 LYS A 53 0.732 18.650 12.704 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.745 19.528 13.048 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -2.046 17.923 11.706 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.580 17.070 11.266 1.00 0.42 H new ATOM 0 HD2 LYS A 53 -0.151 16.469 13.589 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.465 17.487 14.146 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -3.085 16.052 12.902 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.763 15.023 12.388 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -2.779 14.056 14.292 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -1.259 14.638 14.775 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -2.665 15.499 15.180 1.00 1.22 H new ATOM 1046 N LYS A 54 1.735 21.314 11.701 1.00 0.39 N ATOM 1047 CA LYS A 54 2.308 22.588 12.130 1.00 0.41 C ATOM 1048 C LYS A 54 2.371 23.578 10.969 1.00 0.41 C ATOM 1049 O LYS A 54 2.193 24.783 11.149 1.00 0.47 O ATOM 1050 CB LYS A 54 3.704 22.364 12.710 1.00 0.44 C ATOM 1051 CG LYS A 54 3.717 21.397 13.881 1.00 1.24 C ATOM 1052 CD LYS A 54 5.127 21.154 14.386 1.00 1.63 C ATOM 1053 CE LYS A 54 5.138 20.156 15.533 1.00 2.24 C ATOM 1054 NZ LYS A 54 6.507 19.943 16.069 1.00 3.05 N ATOM 0 H LYS A 54 2.415 20.560 11.604 1.00 0.39 H new ATOM 0 HA LYS A 54 1.664 23.011 12.901 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.359 21.984 11.926 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.114 23.321 13.033 1.00 0.44 H new ATOM 0 HG2 LYS A 54 3.103 21.795 14.689 1.00 1.24 H new ATOM 0 HG3 LYS A 54 3.270 20.450 13.577 1.00 1.24 H new ATOM 0 HD2 LYS A 54 5.748 20.782 13.571 1.00 1.63 H new ATOM 0 HD3 LYS A 54 5.565 22.096 14.716 1.00 1.63 H new ATOM 0 HE2 LYS A 54 4.487 20.513 16.331 1.00 2.24 H new ATOM 0 HE3 LYS A 54 4.730 19.205 15.191 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 6.471 19.256 16.849 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 7.122 19.578 15.314 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 6.887 20.845 16.419 1.00 3.05 H new ATOM 1068 N LYS A 55 2.638 23.059 9.784 1.00 0.42 N ATOM 1069 CA LYS A 55 2.679 23.865 8.569 1.00 0.48 C ATOM 1070 C LYS A 55 1.277 24.197 8.059 1.00 0.47 C ATOM 1071 O LYS A 55 0.996 25.340 7.693 1.00 0.58 O ATOM 1072 CB LYS A 55 3.442 23.120 7.478 1.00 0.55 C ATOM 1073 CG LYS A 55 4.944 23.060 7.673 1.00 1.23 C ATOM 1074 CD LYS A 55 5.599 24.374 7.292 1.00 1.16 C ATOM 1075 CE LYS A 55 6.893 24.140 6.536 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.590 25.413 6.216 1.00 1.48 N ATOM 0 H LYS A 55 2.833 22.069 9.633 1.00 0.42 H new ATOM 0 HA LYS A 55 3.184 24.799 8.814 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.058 22.102 7.418 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.234 23.597 6.520 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.169 22.826 8.714 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.360 22.254 7.068 1.00 1.23 H new ATOM 0 HD2 LYS A 55 4.916 24.960 6.677 1.00 1.16 H new ATOM 0 HD3 LYS A 55 5.799 24.958 8.190 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.551 23.506 7.131 1.00 1.03 H new ATOM 0 HE3 LYS A 55 6.681 23.601 5.613 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 8.469 25.207 5.700 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 6.973 26.008 5.627 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.816 25.916 7.098 1.00 1.48 H new ATOM 1090 N SER A 56 0.411 23.209 8.006 1.00 0.39 N ATOM 1091 CA SER A 56 -0.939 23.406 7.514 1.00 0.39 C ATOM 1092 C SER A 56 -1.911 22.501 8.270 1.00 0.38 C ATOM 1093 O SER A 56 -2.057 21.327 7.938 1.00 0.38 O ATOM 1094 CB SER A 56 -0.989 23.136 6.008 1.00 0.40 C ATOM 1095 OG SER A 56 -0.173 24.059 5.299 1.00 1.16 O ATOM 0 H SER A 56 0.618 22.254 8.299 1.00 0.39 H new ATOM 0 HA SER A 56 -1.239 24.440 7.685 1.00 0.39 H new ATOM 0 HB2 SER A 56 -0.654 22.119 5.806 1.00 0.40 H new ATOM 0 HB3 SER A 56 -2.018 23.209 5.656 1.00 0.40 H new ATOM 0 HG SER A 56 -0.219 23.866 4.339 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.579 23.052 9.301 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.343 22.277 10.290 1.00 0.43 C ATOM 1103 C PRO A 57 -4.268 21.235 9.666 1.00 0.44 C ATOM 1104 O PRO A 57 -4.102 20.031 9.870 1.00 0.45 O ATOM 1105 CB PRO A 57 -4.174 23.341 11.027 1.00 0.48 C ATOM 1106 CG PRO A 57 -3.978 24.614 10.275 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.654 24.489 9.587 1.00 0.45 C ATOM 0 HA PRO A 57 -2.674 21.705 10.933 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -5.228 23.063 11.054 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -3.845 23.445 12.061 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -4.780 24.768 9.553 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -3.988 25.471 10.949 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.612 25.087 8.676 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.833 24.819 10.223 1.00 0.45 H new ATOM 1115 N GLU A 58 -5.234 21.726 8.894 1.00 0.47 N ATOM 1116 CA GLU A 58 -6.240 20.882 8.266 1.00 0.51 C ATOM 1117 C GLU A 58 -5.632 19.974 7.203 1.00 0.47 C ATOM 1118 O GLU A 58 -6.165 18.907 6.905 1.00 0.47 O ATOM 1119 CB GLU A 58 -7.330 21.749 7.647 1.00 0.65 C ATOM 1120 CG GLU A 58 -6.780 22.789 6.704 1.00 1.44 C ATOM 1121 CD GLU A 58 -7.836 23.744 6.201 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -8.653 23.338 5.348 1.00 2.45 O ATOM 1123 OE2 GLU A 58 -7.854 24.908 6.650 1.00 2.42 O ATOM 0 H GLU A 58 -5.339 22.719 8.688 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.671 20.246 9.039 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -8.033 21.113 7.110 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -7.890 22.244 8.441 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -5.998 23.354 7.211 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -6.313 22.291 5.854 1.00 1.44 H new ATOM 1130 N LEU A 59 -4.508 20.402 6.638 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.867 19.652 5.571 1.00 0.48 C ATOM 1132 C LEU A 59 -3.194 18.427 6.177 1.00 0.43 C ATOM 1133 O LEU A 59 -3.265 17.319 5.644 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.850 20.552 4.851 1.00 0.56 C ATOM 1135 CG LEU A 59 -2.407 20.110 3.445 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -1.331 19.039 3.510 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -3.598 19.616 2.636 1.00 1.42 C ATOM 0 H LEU A 59 -4.026 21.261 6.902 1.00 0.46 H new ATOM 0 HA LEU A 59 -4.601 19.322 4.836 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -3.276 21.552 4.774 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.962 20.631 5.478 1.00 0.56 H new ATOM 0 HG LEU A 59 -1.982 20.981 2.946 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -1.043 18.751 2.499 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -0.461 19.429 4.038 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -1.716 18.168 4.039 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -3.263 19.309 1.645 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -4.056 18.767 3.144 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -4.330 20.418 2.539 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.561 18.654 7.325 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.942 17.582 8.076 1.00 0.36 C ATOM 1151 C GLY A 60 -2.975 16.676 8.710 1.00 0.35 C ATOM 1152 O GLY A 60 -2.699 15.521 9.023 1.00 0.36 O ATOM 0 H GLY A 60 -2.467 19.576 7.751 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.301 16.998 7.416 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.302 18.003 8.851 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.168 17.210 8.919 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.282 16.411 9.397 1.00 0.42 C ATOM 1158 C ALA A 61 -5.739 15.432 8.317 1.00 0.44 C ATOM 1159 O ALA A 61 -6.177 14.323 8.617 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.427 17.306 9.833 1.00 0.45 C ATOM 0 H ALA A 61 -4.388 18.194 8.765 1.00 0.37 H new ATOM 0 HA ALA A 61 -4.951 15.835 10.261 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.254 16.691 10.189 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -6.091 17.962 10.636 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.760 17.909 8.988 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.613 15.846 7.060 1.00 0.45 N ATOM 1167 CA LYS A 62 -5.981 14.994 5.935 1.00 0.50 C ATOM 1168 C LYS A 62 -5.079 13.771 5.867 1.00 0.54 C ATOM 1169 O LYS A 62 -5.563 12.641 5.780 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.915 15.776 4.621 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.918 16.911 4.555 1.00 0.90 C ATOM 1172 CD LYS A 62 -6.921 17.594 3.200 1.00 1.25 C ATOM 1173 CE LYS A 62 -7.904 18.751 3.174 1.00 1.51 C ATOM 1174 NZ LYS A 62 -9.274 18.330 3.572 1.00 2.17 N ATOM 0 H LYS A 62 -5.259 16.765 6.795 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.007 14.658 6.087 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -4.910 16.179 4.495 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -6.092 15.094 3.789 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -7.915 16.526 4.768 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -6.687 17.643 5.329 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -5.920 17.958 2.971 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -7.183 16.873 2.426 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -7.557 19.536 3.846 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -7.933 19.179 2.172 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -9.951 19.082 3.333 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -9.530 17.459 3.065 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -9.299 18.154 4.597 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.770 13.993 5.926 1.00 0.45 N ATOM 1189 CA VAL A 63 -2.818 12.889 5.912 1.00 0.48 C ATOM 1190 C VAL A 63 -2.973 12.038 7.171 1.00 0.46 C ATOM 1191 O VAL A 63 -2.741 10.828 7.150 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.362 13.390 5.776 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -0.962 14.223 6.976 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.398 12.229 5.571 1.00 1.12 C ATOM 0 H VAL A 63 -3.347 14.919 5.983 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.038 12.275 5.039 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.309 14.026 4.892 1.00 0.48 H new ATOM 0 HG11 VAL A 63 0.066 14.563 6.856 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.623 15.086 7.056 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -1.041 13.620 7.880 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.618 12.612 5.479 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -0.455 11.554 6.425 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -0.666 11.689 4.663 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.392 12.676 8.257 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.652 11.976 9.507 1.00 0.42 C ATOM 1200 C GLU A 64 -4.795 10.984 9.349 1.00 0.50 C ATOM 1201 O GLU A 64 -4.599 9.778 9.513 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.985 12.960 10.629 1.00 0.42 C ATOM 1203 CG GLU A 64 -4.465 12.273 11.898 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.873 13.244 12.980 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -5.869 13.965 12.783 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -4.204 13.294 14.034 1.00 1.70 O ATOM 0 H GLU A 64 -3.559 13.681 8.296 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.744 11.433 9.770 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -3.101 13.556 10.857 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.754 13.651 10.283 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -5.311 11.630 11.658 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.672 11.628 12.277 1.00 0.53 H new ATOM 1213 N LYS A 65 -5.984 11.490 9.019 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.177 10.647 8.952 1.00 0.69 C ATOM 1215 C LYS A 65 -6.991 9.537 7.929 1.00 0.71 C ATOM 1216 O LYS A 65 -7.437 8.405 8.129 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.424 11.469 8.605 1.00 0.84 C ATOM 1218 CG LYS A 65 -9.140 12.062 9.810 1.00 1.92 C ATOM 1219 CD LYS A 65 -8.328 13.153 10.485 1.00 2.40 C ATOM 1220 CE LYS A 65 -9.058 13.712 11.693 1.00 3.23 C ATOM 1221 NZ LYS A 65 -8.353 14.880 12.282 1.00 3.96 N ATOM 0 H LYS A 65 -6.146 12.472 8.796 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.321 10.205 9.938 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -8.136 12.278 7.934 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -9.122 10.835 8.058 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -10.100 12.470 9.494 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -9.351 11.271 10.530 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -7.362 12.753 10.793 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -8.129 13.955 9.774 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -10.066 14.007 11.402 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -9.159 12.932 12.448 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -8.566 14.938 13.298 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -7.327 14.770 12.149 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -8.671 15.751 11.811 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.317 9.882 6.840 1.00 0.72 N ATOM 1236 CA LEU A 66 -6.033 8.941 5.770 1.00 0.80 C ATOM 1237 C LEU A 66 -5.116 7.831 6.272 1.00 0.76 C ATOM 1238 O LEU A 66 -5.355 6.653 6.017 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.397 9.695 4.586 1.00 0.84 C ATOM 1240 CG LEU A 66 -5.101 8.886 3.313 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -3.827 8.061 3.454 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -6.281 7.995 2.966 1.00 1.37 C ATOM 0 H LEU A 66 -5.953 10.821 6.676 1.00 0.72 H new ATOM 0 HA LEU A 66 -6.960 8.478 5.433 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.058 10.519 4.316 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.462 10.136 4.930 1.00 0.84 H new ATOM 0 HG LEU A 66 -4.944 9.593 2.499 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -3.651 7.503 2.534 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -2.983 8.724 3.643 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -3.935 7.365 4.286 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -6.056 7.429 2.062 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -6.471 7.305 3.789 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -7.165 8.611 2.798 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.100 8.205 7.024 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.082 7.250 7.420 1.00 0.55 C ATOM 1256 C HIS A 67 -3.603 6.409 8.572 1.00 0.44 C ATOM 1257 O HIS A 67 -3.286 5.231 8.690 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.788 7.969 7.810 1.00 0.67 C ATOM 1259 CG HIS A 67 -0.557 7.140 7.604 1.00 0.94 C ATOM 1260 ND1 HIS A 67 0.339 7.367 6.581 1.00 1.62 N ATOM 1261 CD2 HIS A 67 -0.080 6.081 8.293 1.00 1.85 C ATOM 1262 CE1 HIS A 67 1.314 6.478 6.649 1.00 2.13 C ATOM 1263 NE2 HIS A 67 1.083 5.690 7.680 1.00 2.34 N ATOM 0 H HIS A 67 -3.957 9.154 7.371 1.00 0.52 H new ATOM 0 HA HIS A 67 -2.855 6.597 6.577 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.701 8.885 7.226 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -1.847 8.263 8.858 1.00 0.67 H new ATOM 0 HD2 HIS A 67 -0.530 5.627 9.164 1.00 1.85 H new ATOM 0 HE1 HIS A 67 2.156 6.409 5.976 1.00 2.13 H new ATOM 0 HE2 HIS A 67 1.675 4.913 7.975 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.423 7.036 9.399 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.039 6.388 10.546 1.00 0.36 C ATOM 1274 C ALA A 68 -5.974 5.253 10.124 1.00 0.34 C ATOM 1275 O ALA A 68 -5.978 4.188 10.742 1.00 0.37 O ATOM 1276 CB ALA A 68 -5.791 7.427 11.350 1.00 0.40 C ATOM 0 H ALA A 68 -4.682 8.017 9.293 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.255 5.941 11.157 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.257 6.952 12.213 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.097 8.196 11.690 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.561 7.882 10.727 1.00 0.40 H new ATOM 1282 N MET A 69 -6.770 5.484 9.080 1.00 0.33 N ATOM 1283 CA MET A 69 -7.654 4.442 8.551 1.00 0.37 C ATOM 1284 C MET A 69 -6.838 3.248 8.100 1.00 0.37 C ATOM 1285 O MET A 69 -7.109 2.107 8.475 1.00 0.42 O ATOM 1286 CB MET A 69 -8.462 4.944 7.359 1.00 0.46 C ATOM 1287 CG MET A 69 -9.472 6.022 7.689 1.00 0.44 C ATOM 1288 SD MET A 69 -10.475 6.467 6.259 1.00 0.72 S ATOM 1289 CE MET A 69 -9.200 6.922 5.084 1.00 0.55 C ATOM 0 H MET A 69 -6.822 6.375 8.586 1.00 0.33 H new ATOM 0 HA MET A 69 -8.337 4.161 9.353 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.773 5.328 6.606 1.00 0.46 H new ATOM 0 HB3 MET A 69 -8.985 4.100 6.911 1.00 0.46 H new ATOM 0 HG2 MET A 69 -10.121 5.677 8.494 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.952 6.906 8.056 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.379 7.937 4.728 1.00 0.55 H new ATOM 0 HE2 MET A 69 -8.225 6.874 5.569 1.00 0.55 H new ATOM 0 HE3 MET A 69 -9.220 6.233 4.240 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.834 3.537 7.289 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.929 2.534 6.779 1.00 0.39 C ATOM 1301 C VAL A 70 -4.264 1.777 7.923 1.00 0.38 C ATOM 1302 O VAL A 70 -4.164 0.551 7.898 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.865 3.199 5.892 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.879 2.177 5.377 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.529 3.937 4.738 1.00 0.70 C ATOM 0 H VAL A 70 -5.627 4.482 6.967 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.497 1.820 6.183 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.315 3.921 6.495 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -2.136 2.671 4.752 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.382 1.694 6.219 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -3.407 1.427 4.789 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.765 4.404 4.117 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -5.104 3.232 4.138 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -5.195 4.705 5.132 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.835 2.518 8.937 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.234 1.920 10.121 1.00 0.43 C ATOM 1311 C LYS A 71 -4.209 0.994 10.830 1.00 0.44 C ATOM 1312 O LYS A 71 -3.816 -0.049 11.321 1.00 0.45 O ATOM 1313 CB LYS A 71 -2.761 2.997 11.096 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.511 3.730 10.639 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.327 2.790 10.458 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.039 1.993 11.721 1.00 0.75 C ATOM 1317 NZ LYS A 71 1.273 1.293 11.650 1.00 1.47 N ATOM 0 H LYS A 71 -3.893 3.536 8.962 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.377 1.337 9.785 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -3.563 3.721 11.241 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -2.568 2.537 12.065 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -1.715 4.240 9.698 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -1.255 4.498 11.369 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.529 2.105 9.635 1.00 1.30 H new ATOM 0 HD3 LYS A 71 0.556 3.367 10.183 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -0.047 2.662 12.582 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -0.832 1.262 11.878 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 1.201 0.372 12.127 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.536 1.148 10.654 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 2.000 1.870 12.119 1.00 1.47 H new ATOM 1331 N SER A 72 -5.477 1.386 10.883 1.00 0.45 N ATOM 1332 CA SER A 72 -6.501 0.576 11.534 1.00 0.49 C ATOM 1333 C SER A 72 -6.668 -0.766 10.819 1.00 0.45 C ATOM 1334 O SER A 72 -6.882 -1.803 11.448 1.00 0.49 O ATOM 1335 CB SER A 72 -7.831 1.332 11.560 1.00 0.56 C ATOM 1336 OG SER A 72 -7.681 2.613 12.161 1.00 1.26 O ATOM 0 H SER A 72 -5.821 2.259 10.483 1.00 0.45 H new ATOM 0 HA SER A 72 -6.185 0.379 12.559 1.00 0.49 H new ATOM 0 HB2 SER A 72 -8.208 1.446 10.544 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.571 0.753 12.112 1.00 0.56 H new ATOM 0 HG SER A 72 -7.180 3.201 11.558 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.560 -0.735 9.500 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.636 -1.943 8.694 1.00 0.38 C ATOM 1344 C LYS A 73 -5.371 -2.777 8.865 1.00 0.33 C ATOM 1345 O LYS A 73 -5.441 -3.990 9.035 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.857 -1.587 7.223 1.00 0.44 C ATOM 1347 CG LYS A 73 -8.126 -0.792 6.978 1.00 0.62 C ATOM 1348 CD LYS A 73 -8.328 -0.506 5.501 1.00 0.78 C ATOM 1349 CE LYS A 73 -9.668 0.161 5.245 1.00 0.88 C ATOM 1350 NZ LYS A 73 -9.916 0.358 3.797 1.00 1.54 N ATOM 0 H LYS A 73 -6.418 0.120 8.962 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.484 -2.537 9.034 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -6.003 -1.013 6.864 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -6.894 -2.505 6.636 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -8.983 -1.345 7.363 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -8.080 0.148 7.528 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -7.525 0.137 5.140 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -8.269 -1.437 4.937 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -10.465 -0.449 5.671 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -9.698 1.125 5.753 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -10.752 0.962 3.667 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -9.089 0.814 3.362 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -10.081 -0.564 3.345 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.220 -2.122 8.854 1.00 0.28 N ATOM 1365 CA ILE A 74 -2.952 -2.807 9.088 1.00 0.28 C ATOM 1366 C ILE A 74 -2.872 -3.294 10.540 1.00 0.28 C ATOM 1367 O ILE A 74 -2.157 -4.242 10.861 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.759 -1.883 8.750 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.809 -1.512 7.266 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.435 -2.552 9.088 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.706 -0.576 6.817 1.00 0.32 C ATOM 0 H ILE A 74 -4.135 -1.120 8.686 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.900 -3.675 8.430 1.00 0.28 H new ATOM 0 HB ILE A 74 -1.834 -0.978 9.352 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.757 -2.426 6.674 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.772 -1.048 7.052 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.386 -1.880 8.840 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.406 -2.783 10.153 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.336 -3.473 8.514 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.818 -0.366 5.753 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.768 0.356 7.379 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.263 -1.043 6.995 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.651 -2.656 11.400 1.00 0.31 N ATOM 1379 CA ALA A 75 -3.759 -3.047 12.803 1.00 0.32 C ATOM 1380 C ALA A 75 -4.516 -4.359 12.916 1.00 0.32 C ATOM 1381 O ALA A 75 -4.216 -5.214 13.749 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.485 -1.973 13.597 1.00 0.34 C ATOM 0 H ALA A 75 -4.227 -1.853 11.148 1.00 0.31 H new ATOM 0 HA ALA A 75 -2.755 -3.170 13.208 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.558 -2.279 14.641 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -3.932 -1.036 13.531 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.486 -1.833 13.189 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.500 -4.497 12.042 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.344 -5.678 11.971 1.00 0.32 C ATOM 1390 C ALA A 76 -5.671 -6.758 11.134 1.00 0.34 C ATOM 1391 O ALA A 76 -6.183 -7.870 10.991 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.684 -5.294 11.364 1.00 0.35 C ATOM 0 H ALA A 76 -5.738 -3.783 11.354 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.501 -6.075 12.974 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.323 -6.175 11.307 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.162 -4.538 11.987 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.528 -4.893 10.362 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.507 -6.426 10.606 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.774 -7.316 9.730 1.00 0.31 C ATOM 1400 C LEU A 77 -2.805 -8.156 10.550 1.00 0.32 C ATOM 1401 O LEU A 77 -2.160 -7.650 11.470 1.00 0.33 O ATOM 1402 CB LEU A 77 -3.025 -6.476 8.691 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.615 -7.192 7.406 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.760 -8.037 6.883 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.213 -6.167 6.363 1.00 0.58 C ATOM 0 H LEU A 77 -4.045 -5.532 10.773 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.458 -7.991 9.216 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.652 -5.626 8.423 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.127 -6.074 9.160 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.770 -7.846 7.619 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.452 -8.541 5.967 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -4.035 -8.781 7.631 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.618 -7.398 6.675 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.920 -6.677 5.445 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -3.056 -5.507 6.158 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.374 -5.579 6.735 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.732 -9.443 10.238 1.00 0.36 N ATOM 1418 CA GLY A 78 -1.846 -10.331 10.961 1.00 0.42 C ATOM 1419 C GLY A 78 -0.388 -10.007 10.707 1.00 0.46 C ATOM 1420 O GLY A 78 -0.067 -9.422 9.677 1.00 0.76 O ATOM 0 H GLY A 78 -3.272 -9.888 9.496 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -2.053 -10.259 12.029 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -2.045 -11.361 10.666 1.00 0.42 H new ATOM 1424 N PRO A 79 0.514 -10.392 11.629 1.00 0.66 N ATOM 1425 CA PRO A 79 1.948 -10.057 11.565 1.00 0.86 C ATOM 1426 C PRO A 79 2.573 -10.234 10.180 1.00 0.60 C ATOM 1427 O PRO A 79 3.360 -9.394 9.736 1.00 0.64 O ATOM 1428 CB PRO A 79 2.570 -11.041 12.554 1.00 1.32 C ATOM 1429 CG PRO A 79 1.506 -11.259 13.570 1.00 1.56 C ATOM 1430 CD PRO A 79 0.199 -11.191 12.829 1.00 1.10 C ATOM 0 HA PRO A 79 2.115 -9.005 11.794 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.850 -11.974 12.065 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.474 -10.634 13.006 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.627 -12.226 14.059 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.551 -10.499 14.350 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.162 -12.185 12.564 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.578 -10.719 13.431 1.00 1.10 H new ATOM 1438 N GLU A 80 2.214 -11.311 9.498 1.00 0.51 N ATOM 1439 CA GLU A 80 2.781 -11.611 8.193 1.00 0.49 C ATOM 1440 C GLU A 80 2.335 -10.587 7.164 1.00 0.42 C ATOM 1441 O GLU A 80 3.161 -10.002 6.458 1.00 0.49 O ATOM 1442 CB GLU A 80 2.382 -13.019 7.747 1.00 0.70 C ATOM 1443 CG GLU A 80 2.843 -13.365 6.339 1.00 1.25 C ATOM 1444 CD GLU A 80 2.757 -14.844 6.041 1.00 1.79 C ATOM 1445 OE1 GLU A 80 1.719 -15.459 6.353 1.00 2.52 O ATOM 1446 OE2 GLU A 80 3.744 -15.406 5.517 1.00 2.19 O ATOM 0 H GLU A 80 1.531 -11.993 9.828 1.00 0.51 H new ATOM 0 HA GLU A 80 3.867 -11.565 8.275 1.00 0.49 H new ATOM 0 HB2 GLU A 80 2.799 -13.744 8.446 1.00 0.70 H new ATOM 0 HB3 GLU A 80 1.297 -13.114 7.799 1.00 0.70 H new ATOM 0 HG2 GLU A 80 2.235 -12.818 5.618 1.00 1.25 H new ATOM 0 HG3 GLU A 80 3.872 -13.032 6.206 1.00 1.25 H new ATOM 1453 N ALA A 81 1.035 -10.342 7.100 1.00 0.36 N ATOM 1454 CA ALA A 81 0.510 -9.435 6.095 1.00 0.34 C ATOM 1455 C ALA A 81 0.791 -7.989 6.489 1.00 0.31 C ATOM 1456 O ALA A 81 0.995 -7.128 5.636 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.972 -9.684 5.861 1.00 0.36 C ATOM 0 H ALA A 81 0.336 -10.751 7.721 1.00 0.36 H new ATOM 0 HA ALA A 81 1.019 -9.625 5.150 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.342 -8.992 5.104 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -1.119 -10.709 5.519 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.518 -9.530 6.792 1.00 0.36 H new ATOM 1463 N LYS A 82 0.817 -7.747 7.797 1.00 0.31 N ATOM 1464 CA LYS A 82 1.142 -6.438 8.353 1.00 0.33 C ATOM 1465 C LYS A 82 2.525 -5.978 7.907 1.00 0.33 C ATOM 1466 O LYS A 82 2.704 -4.830 7.494 1.00 0.32 O ATOM 1467 CB LYS A 82 1.087 -6.488 9.886 1.00 0.41 C ATOM 1468 CG LYS A 82 1.502 -5.189 10.561 1.00 0.60 C ATOM 1469 CD LYS A 82 1.492 -5.305 12.078 1.00 0.86 C ATOM 1470 CE LYS A 82 0.096 -5.583 12.616 1.00 1.33 C ATOM 1471 NZ LYS A 82 0.065 -5.577 14.101 1.00 2.04 N ATOM 0 H LYS A 82 0.613 -8.455 8.502 1.00 0.31 H new ATOM 0 HA LYS A 82 0.405 -5.725 7.984 1.00 0.33 H new ATOM 0 HB2 LYS A 82 0.072 -6.739 10.195 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.735 -7.291 10.237 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.501 -4.909 10.226 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.827 -4.390 10.254 1.00 0.60 H new ATOM 0 HD2 LYS A 82 2.166 -6.105 12.385 1.00 0.86 H new ATOM 0 HD3 LYS A 82 1.873 -4.382 12.515 1.00 0.86 H new ATOM 0 HE2 LYS A 82 -0.596 -4.832 12.235 1.00 1.33 H new ATOM 0 HE3 LYS A 82 -0.249 -6.550 12.249 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 -0.903 -5.770 14.429 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 0.706 -6.310 14.465 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 0.370 -4.646 14.451 1.00 2.04 H new ATOM 1485 N GLY A 83 3.497 -6.886 7.983 1.00 0.37 N ATOM 1486 CA GLY A 83 4.859 -6.553 7.608 1.00 0.41 C ATOM 1487 C GLY A 83 4.959 -6.091 6.170 1.00 0.39 C ATOM 1488 O GLY A 83 5.685 -5.142 5.858 1.00 0.41 O ATOM 0 H GLY A 83 3.363 -7.847 8.298 1.00 0.37 H new ATOM 0 HA2 GLY A 83 5.234 -5.770 8.267 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.497 -7.424 7.753 1.00 0.41 H new ATOM 1492 N PHE A 84 4.225 -6.761 5.292 1.00 0.37 N ATOM 1493 CA PHE A 84 4.187 -6.389 3.888 1.00 0.37 C ATOM 1494 C PHE A 84 3.379 -5.110 3.675 1.00 0.34 C ATOM 1495 O PHE A 84 3.806 -4.223 2.939 1.00 0.37 O ATOM 1496 CB PHE A 84 3.605 -7.526 3.042 1.00 0.39 C ATOM 1497 CG PHE A 84 3.183 -7.083 1.670 1.00 0.74 C ATOM 1498 CD1 PHE A 84 4.104 -6.554 0.783 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.858 -7.175 1.280 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.710 -6.124 -0.466 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.463 -6.751 0.028 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.389 -6.223 -0.844 1.00 1.59 C ATOM 0 H PHE A 84 3.647 -7.567 5.530 1.00 0.37 H new ATOM 0 HA PHE A 84 5.212 -6.202 3.569 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.348 -8.318 2.949 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.746 -7.953 3.560 1.00 0.39 H new ATOM 0 HD1 PHE A 84 5.142 -6.477 1.072 1.00 0.71 H new ATOM 0 HD2 PHE A 84 1.127 -7.583 1.962 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.437 -5.709 -1.148 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.428 -6.833 -0.268 1.00 1.65 H new ATOM 0 HZ PHE A 84 2.080 -5.887 -1.823 1.00 1.59 H new ATOM 1512 N ALA A 85 2.226 -5.018 4.329 1.00 0.30 N ATOM 1513 CA ALA A 85 1.318 -3.891 4.137 1.00 0.30 C ATOM 1514 C ALA A 85 2.012 -2.560 4.394 1.00 0.32 C ATOM 1515 O ALA A 85 1.889 -1.619 3.608 1.00 0.41 O ATOM 1516 CB ALA A 85 0.108 -4.030 5.042 1.00 0.28 C ATOM 0 H ALA A 85 1.897 -5.713 4.999 1.00 0.30 H new ATOM 0 HA ALA A 85 0.993 -3.903 3.097 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.560 -3.183 4.888 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.418 -4.955 4.806 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.432 -4.052 6.082 1.00 0.28 H new ATOM 1522 N GLU A 86 2.772 -2.493 5.474 1.00 0.31 N ATOM 1523 CA GLU A 86 3.464 -1.263 5.814 1.00 0.37 C ATOM 1524 C GLU A 86 4.613 -0.999 4.842 1.00 0.44 C ATOM 1525 O GLU A 86 5.028 0.142 4.661 1.00 0.70 O ATOM 1526 CB GLU A 86 3.955 -1.285 7.262 1.00 0.43 C ATOM 1527 CG GLU A 86 2.820 -1.235 8.274 1.00 0.55 C ATOM 1528 CD GLU A 86 3.296 -1.006 9.693 1.00 0.95 C ATOM 1529 OE1 GLU A 86 3.414 0.166 10.105 1.00 1.11 O ATOM 1530 OE2 GLU A 86 3.573 -1.998 10.402 1.00 1.96 O ATOM 0 H GLU A 86 2.924 -3.265 6.123 1.00 0.31 H new ATOM 0 HA GLU A 86 2.753 -0.442 5.723 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.543 -2.188 7.427 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.620 -0.437 7.428 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.129 -0.439 7.996 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.262 -2.170 8.231 1.00 0.55 H new ATOM 1537 N LYS A 87 5.095 -2.054 4.187 1.00 0.41 N ATOM 1538 CA LYS A 87 6.150 -1.913 3.187 1.00 0.49 C ATOM 1539 C LYS A 87 5.589 -1.429 1.858 1.00 0.49 C ATOM 1540 O LYS A 87 6.205 -0.600 1.191 1.00 0.57 O ATOM 1541 CB LYS A 87 6.912 -3.223 2.982 1.00 0.57 C ATOM 1542 CG LYS A 87 8.167 -3.339 3.827 1.00 0.69 C ATOM 1543 CD LYS A 87 9.174 -2.249 3.486 1.00 1.25 C ATOM 1544 CE LYS A 87 10.385 -2.298 4.404 1.00 1.75 C ATOM 1545 NZ LYS A 87 10.015 -2.062 5.824 1.00 2.12 N ATOM 0 H LYS A 87 4.773 -3.011 4.330 1.00 0.41 H new ATOM 0 HA LYS A 87 6.847 -1.166 3.567 1.00 0.49 H new ATOM 0 HB2 LYS A 87 6.250 -4.058 3.214 1.00 0.57 H new ATOM 0 HB3 LYS A 87 7.183 -3.314 1.930 1.00 0.57 H new ATOM 0 HG2 LYS A 87 7.903 -3.274 4.883 1.00 0.69 H new ATOM 0 HG3 LYS A 87 8.622 -4.317 3.672 1.00 0.69 H new ATOM 0 HD2 LYS A 87 9.497 -2.362 2.451 1.00 1.25 H new ATOM 0 HD3 LYS A 87 8.695 -1.273 3.566 1.00 1.25 H new ATOM 0 HE2 LYS A 87 10.871 -3.269 4.312 1.00 1.75 H new ATOM 0 HE3 LYS A 87 11.110 -1.548 4.088 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 10.790 -1.563 6.306 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 9.152 -1.484 5.866 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 9.844 -2.974 6.294 1.00 2.12 H new ATOM 1559 N SER A 88 4.426 -1.944 1.467 1.00 0.46 N ATOM 1560 CA SER A 88 3.782 -1.490 0.242 1.00 0.51 C ATOM 1561 C SER A 88 3.445 -0.003 0.340 1.00 0.51 C ATOM 1562 O SER A 88 3.376 0.699 -0.666 1.00 0.57 O ATOM 1563 CB SER A 88 2.535 -2.329 -0.066 1.00 0.56 C ATOM 1564 OG SER A 88 1.759 -2.564 1.096 1.00 0.48 O ATOM 0 H SER A 88 3.917 -2.667 1.975 1.00 0.46 H new ATOM 0 HA SER A 88 4.477 -1.625 -0.586 1.00 0.51 H new ATOM 0 HB2 SER A 88 1.927 -1.816 -0.812 1.00 0.56 H new ATOM 0 HB3 SER A 88 2.836 -3.282 -0.501 1.00 0.56 H new ATOM 0 HG SER A 88 2.019 -1.930 1.797 1.00 0.48 H new ATOM 1570 N ILE A 89 3.246 0.468 1.567 1.00 0.50 N ATOM 1571 CA ILE A 89 3.097 1.892 1.813 1.00 0.56 C ATOM 1572 C ILE A 89 4.453 2.590 1.702 1.00 0.55 C ATOM 1573 O ILE A 89 4.583 3.558 0.964 1.00 0.59 O ATOM 1574 CB ILE A 89 2.440 2.184 3.192 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.909 2.152 3.086 1.00 0.83 C ATOM 1576 CG2 ILE A 89 2.888 3.532 3.745 1.00 0.79 C ATOM 1577 CD1 ILE A 89 0.341 0.837 2.601 1.00 1.09 C ATOM 0 H ILE A 89 3.185 -0.116 2.401 1.00 0.50 H new ATOM 0 HA ILE A 89 2.427 2.289 1.051 1.00 0.56 H new ATOM 0 HB ILE A 89 2.765 1.402 3.878 1.00 0.63 H new ATOM 0 HG12 ILE A 89 0.485 2.378 4.064 1.00 0.83 H new ATOM 0 HG13 ILE A 89 0.588 2.944 2.409 1.00 0.83 H new ATOM 0 HG21 ILE A 89 2.411 3.706 4.710 1.00 0.79 H new ATOM 0 HG22 ILE A 89 3.971 3.532 3.870 1.00 0.79 H new ATOM 0 HG23 ILE A 89 2.603 4.323 3.051 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -0.746 0.904 2.557 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.732 0.616 1.608 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.627 0.041 3.289 1.00 1.09 H new ATOM 1584 N GLU A 90 5.465 2.063 2.398 1.00 0.53 N ATOM 1585 CA GLU A 90 6.796 2.680 2.423 1.00 0.60 C ATOM 1586 C GLU A 90 7.397 2.813 1.024 1.00 0.56 C ATOM 1587 O GLU A 90 7.805 3.902 0.617 1.00 0.63 O ATOM 1588 CB GLU A 90 7.760 1.871 3.297 1.00 0.69 C ATOM 1589 CG GLU A 90 7.467 1.941 4.784 1.00 1.28 C ATOM 1590 CD GLU A 90 8.539 1.265 5.611 1.00 2.08 C ATOM 1591 OE1 GLU A 90 9.547 1.920 5.948 1.00 2.41 O ATOM 1592 OE2 GLU A 90 8.374 0.071 5.941 1.00 2.82 O ATOM 0 H GLU A 90 5.388 1.210 2.952 1.00 0.53 H new ATOM 0 HA GLU A 90 6.663 3.677 2.842 1.00 0.60 H new ATOM 0 HB2 GLU A 90 7.729 0.828 2.982 1.00 0.69 H new ATOM 0 HB3 GLU A 90 8.775 2.227 3.122 1.00 0.69 H new ATOM 0 HG2 GLU A 90 7.381 2.985 5.087 1.00 1.28 H new ATOM 0 HG3 GLU A 90 6.505 1.470 4.985 1.00 1.28 H new ATOM 1599 N ILE A 91 7.450 1.702 0.299 1.00 0.47 N ATOM 1600 CA ILE A 91 8.098 1.657 -1.006 1.00 0.46 C ATOM 1601 C ILE A 91 7.399 2.584 -2.004 1.00 0.47 C ATOM 1602 O ILE A 91 8.050 3.354 -2.714 1.00 0.51 O ATOM 1603 CB ILE A 91 8.131 0.212 -1.554 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.852 -0.709 -0.557 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.815 0.179 -2.914 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.796 -2.184 -0.908 1.00 0.45 C ATOM 0 H ILE A 91 7.048 0.813 0.596 1.00 0.47 H new ATOM 0 HA ILE A 91 9.123 2.005 -0.877 1.00 0.46 H new ATOM 0 HB ILE A 91 7.109 -0.146 -1.679 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.896 -0.404 -0.490 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.414 -0.567 0.431 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.831 -0.845 -3.288 1.00 0.49 H new ATOM 0 HG22 ILE A 91 8.267 0.812 -3.612 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.837 0.546 -2.816 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.330 -2.759 -0.151 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.757 -2.510 -0.945 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.261 -2.345 -1.880 1.00 0.45 H new ATOM 1613 N ALA A 92 6.073 2.520 -2.032 1.00 0.47 N ATOM 1614 CA ALA A 92 5.281 3.363 -2.920 1.00 0.53 C ATOM 1615 C ALA A 92 5.376 4.826 -2.507 1.00 0.60 C ATOM 1616 O ALA A 92 5.490 5.717 -3.351 1.00 0.64 O ATOM 1617 CB ALA A 92 3.831 2.907 -2.918 1.00 0.56 C ATOM 0 H ALA A 92 5.522 1.891 -1.448 1.00 0.47 H new ATOM 0 HA ALA A 92 5.680 3.269 -3.930 1.00 0.53 H new ATOM 0 HB1 ALA A 92 3.249 3.543 -3.584 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.774 1.874 -3.261 1.00 0.56 H new ATOM 0 HB3 ALA A 92 3.429 2.976 -1.907 1.00 0.56 H new ATOM 1623 N ARG A 93 5.338 5.063 -1.201 1.00 0.66 N ATOM 1624 CA ARG A 93 5.423 6.411 -0.650 1.00 0.77 C ATOM 1625 C ARG A 93 6.768 7.042 -0.979 1.00 0.68 C ATOM 1626 O ARG A 93 6.855 8.251 -1.148 1.00 0.68 O ATOM 1627 CB ARG A 93 5.208 6.374 0.868 1.00 0.99 C ATOM 1628 CG ARG A 93 5.392 7.709 1.569 1.00 1.55 C ATOM 1629 CD ARG A 93 5.202 7.566 3.070 1.00 1.83 C ATOM 1630 NE ARG A 93 5.601 8.772 3.792 1.00 2.71 N ATOM 1631 CZ ARG A 93 6.270 8.757 4.946 1.00 3.44 C ATOM 1632 NH1 ARG A 93 6.548 7.603 5.541 1.00 3.55 N ATOM 1633 NH2 ARG A 93 6.641 9.898 5.518 1.00 4.42 N ATOM 0 H ARG A 93 5.248 4.331 -0.497 1.00 0.66 H new ATOM 0 HA ARG A 93 4.640 7.020 -1.102 1.00 0.77 H new ATOM 0 HB2 ARG A 93 4.201 6.009 1.070 1.00 0.99 H new ATOM 0 HB3 ARG A 93 5.901 5.653 1.302 1.00 0.99 H new ATOM 0 HG2 ARG A 93 6.388 8.099 1.360 1.00 1.55 H new ATOM 0 HG3 ARG A 93 4.678 8.432 1.176 1.00 1.55 H new ATOM 0 HD2 ARG A 93 4.156 7.346 3.283 1.00 1.83 H new ATOM 0 HD3 ARG A 93 5.786 6.719 3.430 1.00 1.83 H new ATOM 0 HE ARG A 93 5.354 9.677 3.391 1.00 2.71 H new ATOM 0 HH11 ARG A 93 6.250 6.725 5.116 1.00 3.55 H new ATOM 0 HH12 ARG A 93 7.060 7.594 6.423 1.00 3.55 H new ATOM 0 HH21 ARG A 93 6.414 10.788 5.075 1.00 4.42 H new ATOM 0 HH22 ARG A 93 7.152 9.883 6.400 1.00 4.42 H new ATOM 1647 N GLY A 94 7.808 6.221 -1.084 1.00 0.66 N ATOM 1648 CA GLY A 94 9.122 6.728 -1.432 1.00 0.65 C ATOM 1649 C GLY A 94 9.166 7.257 -2.852 1.00 0.56 C ATOM 1650 O GLY A 94 9.833 8.253 -3.134 1.00 0.56 O ATOM 0 H GLY A 94 7.764 5.213 -0.934 1.00 0.66 H new ATOM 0 HA2 GLY A 94 9.399 7.523 -0.740 1.00 0.65 H new ATOM 0 HA3 GLY A 94 9.860 5.934 -1.317 1.00 0.65 H new ATOM 1654 N ILE A 95 8.439 6.594 -3.741 1.00 0.52 N ATOM 1655 CA ILE A 95 8.356 7.011 -5.135 1.00 0.48 C ATOM 1656 C ILE A 95 7.614 8.337 -5.250 1.00 0.47 C ATOM 1657 O ILE A 95 8.100 9.286 -5.868 1.00 0.49 O ATOM 1658 CB ILE A 95 7.645 5.940 -5.990 1.00 0.50 C ATOM 1659 CG1 ILE A 95 8.439 4.632 -5.965 1.00 0.53 C ATOM 1660 CG2 ILE A 95 7.456 6.422 -7.424 1.00 0.52 C ATOM 1661 CD1 ILE A 95 9.818 4.740 -6.585 1.00 0.55 C ATOM 0 H ILE A 95 7.895 5.760 -3.520 1.00 0.52 H new ATOM 0 HA ILE A 95 9.372 7.136 -5.508 1.00 0.48 H new ATOM 0 HB ILE A 95 6.658 5.761 -5.563 1.00 0.50 H new ATOM 0 HG12 ILE A 95 8.541 4.300 -4.932 1.00 0.53 H new ATOM 0 HG13 ILE A 95 7.873 3.864 -6.493 1.00 0.53 H new ATOM 0 HG21 ILE A 95 6.953 5.649 -8.004 1.00 0.52 H new ATOM 0 HG22 ILE A 95 6.851 7.329 -7.426 1.00 0.52 H new ATOM 0 HG23 ILE A 95 8.429 6.634 -7.868 1.00 0.52 H new ATOM 0 HD11 ILE A 95 10.319 3.773 -6.530 1.00 0.55 H new ATOM 0 HD12 ILE A 95 9.725 5.041 -7.628 1.00 0.55 H new ATOM 0 HD13 ILE A 95 10.403 5.483 -6.043 1.00 0.55 H new ATOM 1668 N LYS A 96 6.448 8.409 -4.628 1.00 0.50 N ATOM 1669 CA LYS A 96 5.640 9.621 -4.665 1.00 0.54 C ATOM 1670 C LYS A 96 6.108 10.640 -3.634 1.00 0.57 C ATOM 1671 O LYS A 96 5.571 11.740 -3.565 1.00 0.83 O ATOM 1672 CB LYS A 96 4.148 9.300 -4.522 1.00 0.64 C ATOM 1673 CG LYS A 96 3.819 8.346 -3.384 1.00 1.47 C ATOM 1674 CD LYS A 96 2.404 7.802 -3.511 1.00 1.78 C ATOM 1675 CE LYS A 96 2.095 6.783 -2.427 1.00 1.90 C ATOM 1676 NZ LYS A 96 0.745 6.183 -2.600 1.00 2.70 N ATOM 0 H LYS A 96 6.039 7.644 -4.091 1.00 0.50 H new ATOM 0 HA LYS A 96 5.777 10.079 -5.644 1.00 0.54 H new ATOM 0 HB2 LYS A 96 3.601 10.231 -4.370 1.00 0.64 H new ATOM 0 HB3 LYS A 96 3.790 8.869 -5.457 1.00 0.64 H new ATOM 0 HG2 LYS A 96 4.530 7.520 -3.382 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.928 8.863 -2.430 1.00 1.47 H new ATOM 0 HD2 LYS A 96 1.691 8.624 -3.451 1.00 1.78 H new ATOM 0 HD3 LYS A 96 2.278 7.341 -4.491 1.00 1.78 H new ATOM 0 HE2 LYS A 96 2.848 5.995 -2.444 1.00 1.90 H new ATOM 0 HE3 LYS A 96 2.157 7.262 -1.450 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 0.717 5.252 -2.137 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 0.031 6.805 -2.171 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 0.542 6.071 -3.614 1.00 2.70 H new ATOM 1690 N ALA A 97 7.140 10.298 -2.885 1.00 0.50 N ATOM 1691 CA ALA A 97 7.886 11.287 -2.116 1.00 0.53 C ATOM 1692 C ALA A 97 8.753 12.096 -3.057 1.00 0.46 C ATOM 1693 O ALA A 97 9.040 13.264 -2.811 1.00 0.48 O ATOM 1694 CB ALA A 97 8.742 10.622 -1.051 1.00 0.63 C ATOM 0 H ALA A 97 7.484 9.342 -2.790 1.00 0.50 H new ATOM 0 HA ALA A 97 7.180 11.945 -1.609 1.00 0.53 H new ATOM 0 HB1 ALA A 97 9.287 11.384 -0.494 1.00 0.63 H new ATOM 0 HB2 ALA A 97 8.103 10.061 -0.369 1.00 0.63 H new ATOM 0 HB3 ALA A 97 9.451 9.943 -1.525 1.00 0.63 H new ATOM 1700 N ARG A 98 9.136 11.476 -4.157 1.00 0.41 N ATOM 1701 CA ARG A 98 9.868 12.167 -5.198 1.00 0.44 C ATOM 1702 C ARG A 98 8.889 12.837 -6.151 1.00 0.44 C ATOM 1703 O ARG A 98 9.279 13.631 -6.995 1.00 0.53 O ATOM 1704 CB ARG A 98 10.812 11.213 -5.924 1.00 0.51 C ATOM 1705 CG ARG A 98 11.962 10.737 -5.052 1.00 1.02 C ATOM 1706 CD ARG A 98 12.639 9.510 -5.636 1.00 0.81 C ATOM 1707 NE ARG A 98 13.102 9.726 -7.003 1.00 1.51 N ATOM 1708 CZ ARG A 98 13.331 8.742 -7.870 1.00 1.94 C ATOM 1709 NH1 ARG A 98 13.162 7.479 -7.502 1.00 1.37 N ATOM 1710 NH2 ARG A 98 13.733 9.019 -9.102 1.00 3.10 N ATOM 0 H ARG A 98 8.951 10.492 -4.352 1.00 0.41 H new ATOM 0 HA ARG A 98 10.489 12.942 -4.749 1.00 0.44 H new ATOM 0 HB2 ARG A 98 10.247 10.349 -6.275 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.214 11.710 -6.807 1.00 0.51 H new ATOM 0 HG2 ARG A 98 12.692 11.539 -4.944 1.00 1.02 H new ATOM 0 HG3 ARG A 98 11.591 10.507 -4.053 1.00 1.02 H new ATOM 0 HD2 ARG A 98 13.486 9.233 -5.008 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.942 8.672 -5.620 1.00 0.81 H new ATOM 0 HE ARG A 98 13.259 10.685 -7.312 1.00 1.51 H new ATOM 0 HH11 ARG A 98 12.856 7.261 -6.554 1.00 1.37 H new ATOM 0 HH12 ARG A 98 13.338 6.726 -8.167 1.00 1.37 H new ATOM 0 HH21 ARG A 98 13.868 9.989 -9.389 1.00 3.10 H new ATOM 0 HH22 ARG A 98 13.908 8.263 -9.764 1.00 3.10 H new ATOM 1724 N TYR A 99 7.608 12.560 -5.979 1.00 0.44 N ATOM 1725 CA TYR A 99 6.592 13.352 -6.646 1.00 0.50 C ATOM 1726 C TYR A 99 6.341 14.628 -5.848 1.00 0.54 C ATOM 1727 O TYR A 99 6.225 15.709 -6.423 1.00 0.64 O ATOM 1728 CB TYR A 99 5.288 12.571 -6.839 1.00 0.53 C ATOM 1729 CG TYR A 99 5.264 11.729 -8.099 1.00 0.59 C ATOM 1730 CD1 TYR A 99 5.525 12.286 -9.346 1.00 0.73 C ATOM 1731 CD2 TYR A 99 4.979 10.370 -8.039 1.00 0.60 C ATOM 1732 CE1 TYR A 99 5.501 11.515 -10.491 1.00 0.85 C ATOM 1733 CE2 TYR A 99 4.955 9.592 -9.180 1.00 0.71 C ATOM 1734 CZ TYR A 99 5.226 10.200 -10.423 1.00 0.83 C ATOM 1735 OH TYR A 99 5.191 9.402 -11.542 1.00 0.97 O ATOM 0 H TYR A 99 7.252 11.805 -5.393 1.00 0.44 H new ATOM 0 HA TYR A 99 6.958 13.607 -7.641 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.132 11.923 -5.976 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.455 13.273 -6.866 1.00 0.53 H new ATOM 0 HD1 TYR A 99 5.750 13.340 -9.420 1.00 0.73 H new ATOM 0 HD2 TYR A 99 4.772 9.914 -7.082 1.00 0.60 H new ATOM 0 HE1 TYR A 99 5.705 11.971 -11.449 1.00 0.85 H new ATOM 0 HE2 TYR A 99 4.733 8.537 -9.121 1.00 0.71 H new ATOM 0 HH TYR A 99 5.211 8.460 -11.273 1.00 0.97 H new ATOM 1745 N TYR A 100 6.296 14.502 -4.520 1.00 0.51 N ATOM 1746 CA TYR A 100 6.098 15.656 -3.646 1.00 0.58 C ATOM 1747 C TYR A 100 7.259 16.643 -3.771 1.00 0.58 C ATOM 1748 O TYR A 100 7.059 17.840 -3.978 1.00 0.71 O ATOM 1749 CB TYR A 100 5.981 15.232 -2.177 1.00 0.57 C ATOM 1750 CG TYR A 100 4.723 14.470 -1.831 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.478 14.991 -2.139 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.777 13.225 -1.222 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.321 14.304 -1.849 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.624 12.527 -0.931 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.428 13.067 -1.145 1.00 1.21 C ATOM 1756 OH TYR A 100 1.238 12.388 -0.963 1.00 1.48 O ATOM 0 H TYR A 100 6.394 13.613 -4.029 1.00 0.51 H new ATOM 0 HA TYR A 100 5.170 16.133 -3.961 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.843 14.615 -1.923 1.00 0.57 H new ATOM 0 HB3 TYR A 100 6.031 16.124 -1.552 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.413 15.957 -2.617 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.736 12.796 -0.972 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.357 14.691 -2.146 1.00 1.26 H new ATOM 0 HE2 TYR A 100 3.693 11.529 -0.524 1.00 1.16 H new ATOM 0 HH TYR A 100 1.408 11.556 -0.474 1.00 1.48 H new ATOM 1766 N THR A 101 8.471 16.113 -3.657 1.00 0.55 N ATOM 1767 CA THR A 101 9.686 16.917 -3.601 1.00 0.66 C ATOM 1768 C THR A 101 9.984 17.657 -4.908 1.00 0.71 C ATOM 1769 O THR A 101 10.813 18.567 -4.937 1.00 0.71 O ATOM 1770 CB THR A 101 10.888 16.026 -3.250 1.00 0.71 C ATOM 1771 OG1 THR A 101 10.878 14.845 -4.057 1.00 0.65 O ATOM 1772 CG2 THR A 101 10.855 15.646 -1.773 1.00 0.87 C ATOM 0 H THR A 101 8.639 15.109 -3.601 1.00 0.55 H new ATOM 0 HA THR A 101 9.519 17.670 -2.830 1.00 0.66 H new ATOM 0 HB THR A 101 11.803 16.585 -3.448 1.00 0.71 H new ATOM 0 HG1 THR A 101 10.338 14.154 -3.619 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.713 15.015 -1.540 1.00 0.87 H new ATOM 0 HG22 THR A 101 10.893 16.549 -1.164 1.00 0.87 H new ATOM 0 HG23 THR A 101 9.935 15.102 -1.558 1.00 0.87 H new ATOM 1780 N GLY A 102 9.312 17.265 -5.986 1.00 0.82 N ATOM 1781 CA GLY A 102 9.583 17.856 -7.283 1.00 0.95 C ATOM 1782 C GLY A 102 10.586 17.064 -8.103 1.00 0.95 C ATOM 1783 O GLY A 102 10.953 17.472 -9.205 1.00 1.16 O ATOM 0 H GLY A 102 8.585 16.549 -5.984 1.00 0.82 H new ATOM 0 HA2 GLY A 102 8.650 17.936 -7.841 1.00 0.95 H new ATOM 0 HA3 GLY A 102 9.958 18.870 -7.142 1.00 0.95 H new ATOM 1787 N ASN A 103 11.022 15.927 -7.578 1.00 0.82 N ATOM 1788 CA ASN A 103 12.008 15.089 -8.263 1.00 0.89 C ATOM 1789 C ASN A 103 11.312 13.951 -8.996 1.00 0.98 C ATOM 1790 O ASN A 103 11.455 12.786 -8.624 1.00 1.83 O ATOM 1791 CB ASN A 103 13.022 14.515 -7.270 1.00 0.90 C ATOM 1792 CG ASN A 103 13.763 15.583 -6.495 1.00 1.28 C ATOM 1793 OD1 ASN A 103 14.796 16.085 -6.935 1.00 1.76 O ATOM 1794 ND2 ASN A 103 13.252 15.926 -5.325 1.00 1.65 N ATOM 0 H ASN A 103 10.710 15.560 -6.679 1.00 0.82 H new ATOM 0 HA ASN A 103 12.539 15.713 -8.982 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.505 13.859 -6.570 1.00 0.90 H new ATOM 0 HB3 ASN A 103 13.742 13.900 -7.810 1.00 0.90 H new ATOM 0 HD21 ASN A 103 13.717 16.630 -4.752 1.00 1.65 H new ATOM 0 HD22 ASN A 103 12.393 15.486 -4.995 1.00 1.65 H new ATOM 1801 N GLU A 104 10.569 14.306 -10.038 1.00 0.56 N ATOM 1802 CA GLU A 104 9.710 13.364 -10.754 1.00 0.56 C ATOM 1803 C GLU A 104 10.465 12.107 -11.193 1.00 0.49 C ATOM 1804 O GLU A 104 11.440 12.184 -11.940 1.00 0.55 O ATOM 1805 CB GLU A 104 9.086 14.056 -11.965 1.00 0.67 C ATOM 1806 CG GLU A 104 8.145 15.192 -11.592 1.00 0.80 C ATOM 1807 CD GLU A 104 7.695 15.996 -12.793 1.00 1.15 C ATOM 1808 OE1 GLU A 104 6.903 15.467 -13.602 1.00 1.75 O ATOM 1809 OE2 GLU A 104 8.132 17.158 -12.937 1.00 1.17 O ATOM 0 H GLU A 104 10.544 15.255 -10.412 1.00 0.56 H new ATOM 0 HA GLU A 104 8.927 13.043 -10.067 1.00 0.56 H new ATOM 0 HB2 GLU A 104 9.881 14.446 -12.601 1.00 0.67 H new ATOM 0 HB3 GLU A 104 8.539 13.319 -12.554 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.271 14.783 -11.086 1.00 0.80 H new ATOM 0 HG3 GLU A 104 8.643 15.853 -10.883 1.00 0.80 H new ATOM 1816 N PRO A 105 10.015 10.935 -10.704 1.00 0.44 N ATOM 1817 CA PRO A 105 10.614 9.632 -11.033 1.00 0.44 C ATOM 1818 C PRO A 105 10.312 9.188 -12.463 1.00 0.42 C ATOM 1819 O PRO A 105 9.398 9.710 -13.109 1.00 0.47 O ATOM 1820 CB PRO A 105 9.942 8.682 -10.039 1.00 0.48 C ATOM 1821 CG PRO A 105 8.642 9.320 -9.714 1.00 0.53 C ATOM 1822 CD PRO A 105 8.883 10.800 -9.769 1.00 0.49 C ATOM 0 HA PRO A 105 11.702 9.659 -10.967 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.798 7.693 -10.474 1.00 0.48 H new ATOM 0 HB3 PRO A 105 10.552 8.551 -9.145 1.00 0.48 H new ATOM 0 HG2 PRO A 105 7.873 9.023 -10.427 1.00 0.53 H new ATOM 0 HG3 PRO A 105 8.295 9.018 -8.726 1.00 0.53 H new ATOM 0 HD2 PRO A 105 8.003 11.336 -10.125 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.125 11.203 -8.786 1.00 0.49 H new ATOM 1830 N THR A 106 11.075 8.221 -12.946 1.00 0.42 N ATOM 1831 CA THR A 106 10.826 7.628 -14.248 1.00 0.42 C ATOM 1832 C THR A 106 9.804 6.507 -14.119 1.00 0.39 C ATOM 1833 O THR A 106 9.433 6.141 -13.002 1.00 0.41 O ATOM 1834 CB THR A 106 12.115 7.057 -14.873 1.00 0.50 C ATOM 1835 OG1 THR A 106 12.699 6.087 -13.992 1.00 1.48 O ATOM 1836 CG2 THR A 106 13.124 8.154 -15.152 1.00 1.05 C ATOM 0 H THR A 106 11.876 7.829 -12.452 1.00 0.42 H new ATOM 0 HA THR A 106 10.447 8.416 -14.898 1.00 0.42 H new ATOM 0 HB THR A 106 11.847 6.585 -15.818 1.00 0.50 H new ATOM 0 HG1 THR A 106 12.960 6.522 -13.154 1.00 1.48 H new ATOM 0 HG21 THR A 106 14.022 7.719 -15.592 1.00 1.05 H new ATOM 0 HG22 THR A 106 12.693 8.877 -15.845 1.00 1.05 H new ATOM 0 HG23 THR A 106 13.383 8.655 -14.220 1.00 1.05 H new ATOM 1844 N LYS A 107 9.361 5.942 -15.235 1.00 0.39 N ATOM 1845 CA LYS A 107 8.455 4.806 -15.166 1.00 0.39 C ATOM 1846 C LYS A 107 9.192 3.612 -14.563 1.00 0.36 C ATOM 1847 O LYS A 107 8.594 2.750 -13.918 1.00 0.38 O ATOM 1848 CB LYS A 107 7.893 4.454 -16.547 1.00 0.43 C ATOM 1849 CG LYS A 107 6.854 3.339 -16.515 1.00 1.33 C ATOM 1850 CD LYS A 107 6.351 2.985 -17.908 1.00 1.66 C ATOM 1851 CE LYS A 107 5.552 4.120 -18.532 1.00 2.22 C ATOM 1852 NZ LYS A 107 5.099 3.786 -19.910 1.00 2.88 N ATOM 0 H LYS A 107 9.608 6.244 -16.178 1.00 0.39 H new ATOM 0 HA LYS A 107 7.609 5.070 -14.531 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.444 5.345 -16.986 1.00 0.43 H new ATOM 0 HB3 LYS A 107 8.714 4.156 -17.199 1.00 0.43 H new ATOM 0 HG2 LYS A 107 7.288 2.453 -16.051 1.00 1.33 H new ATOM 0 HG3 LYS A 107 6.013 3.646 -15.893 1.00 1.33 H new ATOM 0 HD2 LYS A 107 7.199 2.744 -18.549 1.00 1.66 H new ATOM 0 HD3 LYS A 107 5.729 2.092 -17.853 1.00 1.66 H new ATOM 0 HE2 LYS A 107 4.686 4.340 -17.908 1.00 2.22 H new ATOM 0 HE3 LYS A 107 6.163 5.022 -18.559 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 4.558 4.584 -20.301 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 5.926 3.601 -20.512 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 4.495 2.940 -19.881 1.00 2.88 H new ATOM 1866 N ASP A 108 10.511 3.598 -14.760 1.00 0.36 N ATOM 1867 CA ASP A 108 11.370 2.560 -14.204 1.00 0.38 C ATOM 1868 C ASP A 108 11.307 2.564 -12.686 1.00 0.36 C ATOM 1869 O ASP A 108 11.280 1.506 -12.061 1.00 0.38 O ATOM 1870 CB ASP A 108 12.820 2.744 -14.651 1.00 0.47 C ATOM 1871 CG ASP A 108 13.052 2.307 -16.081 1.00 1.29 C ATOM 1872 OD1 ASP A 108 12.850 3.131 -16.999 1.00 2.24 O ATOM 1873 OD2 ASP A 108 13.428 1.138 -16.297 1.00 1.26 O ATOM 0 H ASP A 108 11.008 4.302 -15.306 1.00 0.36 H new ATOM 0 HA ASP A 108 11.006 1.603 -14.577 1.00 0.38 H new ATOM 0 HB2 ASP A 108 13.097 3.793 -14.547 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.474 2.174 -13.991 1.00 0.47 H new ATOM 1878 N ASP A 109 11.281 3.758 -12.094 1.00 0.36 N ATOM 1879 CA ASP A 109 11.172 3.887 -10.646 1.00 0.37 C ATOM 1880 C ASP A 109 9.897 3.224 -10.144 1.00 0.34 C ATOM 1881 O ASP A 109 9.914 2.488 -9.158 1.00 0.36 O ATOM 1882 CB ASP A 109 11.187 5.358 -10.230 1.00 0.39 C ATOM 1883 CG ASP A 109 12.532 6.014 -10.449 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.432 5.841 -9.603 1.00 0.94 O ATOM 1885 OD2 ASP A 109 12.701 6.710 -11.469 1.00 1.73 O ATOM 0 H ASP A 109 11.334 4.645 -12.595 1.00 0.36 H new ATOM 0 HA ASP A 109 12.031 3.387 -10.199 1.00 0.37 H new ATOM 0 HB2 ASP A 109 10.428 5.899 -10.795 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.917 5.436 -9.177 1.00 0.39 H new ATOM 1890 N LEU A 110 8.798 3.477 -10.844 1.00 0.30 N ATOM 1891 CA LEU A 110 7.502 2.915 -10.477 1.00 0.30 C ATOM 1892 C LEU A 110 7.490 1.406 -10.677 1.00 0.29 C ATOM 1893 O LEU A 110 7.048 0.665 -9.802 1.00 0.33 O ATOM 1894 CB LEU A 110 6.375 3.561 -11.290 1.00 0.30 C ATOM 1895 CG LEU A 110 5.872 4.910 -10.772 1.00 0.38 C ATOM 1896 CD1 LEU A 110 6.989 5.934 -10.765 1.00 0.82 C ATOM 1897 CD2 LEU A 110 4.715 5.404 -11.623 1.00 0.82 C ATOM 0 H LEU A 110 8.778 4.071 -11.673 1.00 0.30 H new ATOM 0 HA LEU A 110 7.335 3.128 -9.421 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.721 3.692 -12.315 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.534 2.869 -11.324 1.00 0.30 H new ATOM 0 HG LEU A 110 5.524 4.773 -9.748 1.00 0.38 H new ATOM 0 HD11 LEU A 110 6.608 6.885 -10.393 1.00 0.82 H new ATOM 0 HD12 LEU A 110 7.796 5.588 -10.118 1.00 0.82 H new ATOM 0 HD13 LEU A 110 7.368 6.066 -11.778 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.368 6.365 -11.243 1.00 0.82 H new ATOM 0 HD22 LEU A 110 5.046 5.521 -12.655 1.00 0.82 H new ATOM 0 HD23 LEU A 110 3.900 4.682 -11.583 1.00 0.82 H new ATOM 1909 N LYS A 111 7.989 0.954 -11.819 1.00 0.28 N ATOM 1910 CA LYS A 111 8.081 -0.476 -12.091 1.00 0.31 C ATOM 1911 C LYS A 111 8.871 -1.169 -10.988 1.00 0.33 C ATOM 1912 O LYS A 111 8.466 -2.204 -10.469 1.00 0.35 O ATOM 1913 CB LYS A 111 8.743 -0.721 -13.447 1.00 0.37 C ATOM 1914 CG LYS A 111 7.860 -0.348 -14.624 1.00 0.93 C ATOM 1915 CD LYS A 111 8.609 -0.441 -15.946 1.00 0.92 C ATOM 1916 CE LYS A 111 9.008 -1.871 -16.272 1.00 1.02 C ATOM 1917 NZ LYS A 111 9.739 -1.958 -17.564 1.00 1.74 N ATOM 0 H LYS A 111 8.335 1.552 -12.569 1.00 0.28 H new ATOM 0 HA LYS A 111 7.073 -0.890 -12.118 1.00 0.31 H new ATOM 0 HB2 LYS A 111 9.668 -0.148 -13.500 1.00 0.37 H new ATOM 0 HB3 LYS A 111 9.015 -1.774 -13.525 1.00 0.37 H new ATOM 0 HG2 LYS A 111 6.993 -1.008 -14.651 1.00 0.93 H new ATOM 0 HG3 LYS A 111 7.485 0.667 -14.490 1.00 0.93 H new ATOM 0 HD2 LYS A 111 7.983 -0.047 -16.747 1.00 0.92 H new ATOM 0 HD3 LYS A 111 9.501 0.184 -15.903 1.00 0.92 H new ATOM 0 HE2 LYS A 111 9.635 -2.265 -15.472 1.00 1.02 H new ATOM 0 HE3 LYS A 111 8.116 -2.496 -16.316 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 9.995 -2.948 -17.752 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 9.132 -1.605 -18.331 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 10.603 -1.381 -17.514 1.00 1.74 H new ATOM 1931 N ALA A 112 9.996 -0.566 -10.628 1.00 0.36 N ATOM 1932 CA ALA A 112 10.844 -1.082 -9.567 1.00 0.42 C ATOM 1933 C ALA A 112 10.118 -1.105 -8.226 1.00 0.43 C ATOM 1934 O ALA A 112 10.214 -2.082 -7.481 1.00 0.47 O ATOM 1935 CB ALA A 112 12.115 -0.258 -9.465 1.00 0.46 C ATOM 0 H ALA A 112 10.343 0.290 -11.062 1.00 0.36 H new ATOM 0 HA ALA A 112 11.103 -2.110 -9.819 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.742 -0.654 -8.667 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.657 -0.306 -10.410 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.860 0.779 -9.245 1.00 0.46 H new ATOM 1941 N SER A 113 9.393 -0.036 -7.914 1.00 0.41 N ATOM 1942 CA SER A 113 8.692 0.047 -6.642 1.00 0.45 C ATOM 1943 C SER A 113 7.597 -1.003 -6.525 1.00 0.40 C ATOM 1944 O SER A 113 7.390 -1.563 -5.446 1.00 0.44 O ATOM 1945 CB SER A 113 8.115 1.444 -6.421 1.00 0.54 C ATOM 1946 OG SER A 113 7.268 1.846 -7.484 1.00 1.34 O ATOM 0 H SER A 113 9.277 0.777 -8.519 1.00 0.41 H new ATOM 0 HA SER A 113 9.427 -0.153 -5.862 1.00 0.45 H new ATOM 0 HB2 SER A 113 7.555 1.461 -5.486 1.00 0.54 H new ATOM 0 HB3 SER A 113 8.930 2.160 -6.317 1.00 0.54 H new ATOM 0 HG SER A 113 7.306 1.180 -8.202 1.00 1.34 H new ATOM 1952 N VAL A 114 6.912 -1.311 -7.623 1.00 0.36 N ATOM 1953 CA VAL A 114 5.843 -2.287 -7.568 1.00 0.36 C ATOM 1954 C VAL A 114 6.448 -3.687 -7.559 1.00 0.35 C ATOM 1955 O VAL A 114 5.851 -4.643 -7.066 1.00 0.37 O ATOM 1956 CB VAL A 114 4.854 -2.144 -8.754 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.443 -0.692 -8.951 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.425 -2.702 -10.041 1.00 0.56 C ATOM 0 H VAL A 114 7.078 -0.904 -8.543 1.00 0.36 H new ATOM 0 HA VAL A 114 5.274 -2.113 -6.655 1.00 0.36 H new ATOM 0 HB VAL A 114 3.970 -2.729 -8.500 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.749 -0.621 -9.789 1.00 0.65 H new ATOM 0 HG12 VAL A 114 3.958 -0.325 -8.046 1.00 0.65 H new ATOM 0 HG13 VAL A 114 5.327 -0.089 -9.159 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.698 -2.581 -10.844 1.00 0.56 H new ATOM 0 HG22 VAL A 114 6.340 -2.167 -10.295 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.648 -3.761 -9.911 1.00 0.56 H new ATOM 1962 N LYS A 115 7.654 -3.786 -8.107 1.00 0.35 N ATOM 1963 CA LYS A 115 8.405 -5.030 -8.123 1.00 0.37 C ATOM 1964 C LYS A 115 8.707 -5.513 -6.716 1.00 0.35 C ATOM 1965 O LYS A 115 8.535 -6.691 -6.411 1.00 0.37 O ATOM 1966 CB LYS A 115 9.721 -4.851 -8.876 1.00 0.48 C ATOM 1967 CG LYS A 115 9.633 -5.080 -10.372 1.00 0.84 C ATOM 1968 CD LYS A 115 10.959 -4.768 -11.045 1.00 0.81 C ATOM 1969 CE LYS A 115 10.988 -5.249 -12.485 1.00 1.16 C ATOM 1970 NZ LYS A 115 10.879 -6.729 -12.573 1.00 1.72 N ATOM 0 H LYS A 115 8.136 -3.005 -8.552 1.00 0.35 H new ATOM 0 HA LYS A 115 7.788 -5.773 -8.628 1.00 0.37 H new ATOM 0 HB2 LYS A 115 10.091 -3.841 -8.698 1.00 0.48 H new ATOM 0 HB3 LYS A 115 10.458 -5.538 -8.460 1.00 0.48 H new ATOM 0 HG2 LYS A 115 9.354 -6.115 -10.570 1.00 0.84 H new ATOM 0 HG3 LYS A 115 8.849 -4.452 -10.795 1.00 0.84 H new ATOM 0 HD2 LYS A 115 11.136 -3.693 -11.017 1.00 0.81 H new ATOM 0 HD3 LYS A 115 11.769 -5.239 -10.488 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.169 -4.790 -13.038 1.00 1.16 H new ATOM 0 HE3 LYS A 115 11.914 -4.924 -12.959 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 11.555 -7.086 -13.278 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 11.092 -7.149 -11.646 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 9.913 -6.990 -12.857 1.00 1.72 H new ATOM 1984 N GLU A 116 9.160 -4.605 -5.857 1.00 0.36 N ATOM 1985 CA GLU A 116 9.593 -4.998 -4.523 1.00 0.38 C ATOM 1986 C GLU A 116 8.395 -5.396 -3.670 1.00 0.37 C ATOM 1987 O GLU A 116 8.470 -6.366 -2.925 1.00 0.38 O ATOM 1988 CB GLU A 116 10.395 -3.890 -3.837 1.00 0.43 C ATOM 1989 CG GLU A 116 11.601 -3.403 -4.625 1.00 0.80 C ATOM 1990 CD GLU A 116 12.698 -4.438 -4.722 1.00 1.30 C ATOM 1991 OE1 GLU A 116 13.415 -4.644 -3.718 1.00 1.32 O ATOM 1992 OE2 GLU A 116 12.852 -5.047 -5.799 1.00 2.27 O ATOM 0 H GLU A 116 9.236 -3.608 -6.057 1.00 0.36 H new ATOM 0 HA GLU A 116 10.251 -5.860 -4.632 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.734 -3.044 -3.649 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.733 -4.252 -2.866 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.283 -3.123 -5.629 1.00 0.80 H new ATOM 0 HG3 GLU A 116 11.998 -2.504 -4.154 1.00 0.80 H new ATOM 1999 N VAL A 117 7.284 -4.689 -3.802 1.00 0.36 N ATOM 2000 CA VAL A 117 6.083 -5.050 -3.054 1.00 0.38 C ATOM 2001 C VAL A 117 5.599 -6.441 -3.468 1.00 0.38 C ATOM 2002 O VAL A 117 5.197 -7.241 -2.631 1.00 0.43 O ATOM 2003 CB VAL A 117 4.941 -4.008 -3.217 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.476 -2.599 -3.025 1.00 0.81 C ATOM 2005 CG2 VAL A 117 4.228 -4.134 -4.553 1.00 0.78 C ATOM 0 H VAL A 117 7.185 -3.875 -4.408 1.00 0.36 H new ATOM 0 HA VAL A 117 6.355 -5.060 -1.998 1.00 0.38 H new ATOM 0 HB VAL A 117 4.203 -4.216 -2.442 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.663 -1.882 -3.143 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.902 -2.504 -2.026 1.00 0.81 H new ATOM 0 HG13 VAL A 117 6.247 -2.398 -3.769 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.440 -3.384 -4.617 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.942 -3.980 -5.362 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.790 -5.129 -4.640 1.00 0.78 H new ATOM 2009 N LEU A 118 5.693 -6.753 -4.749 1.00 0.36 N ATOM 2010 CA LEU A 118 5.263 -8.054 -5.240 1.00 0.36 C ATOM 2011 C LEU A 118 6.302 -9.128 -4.948 1.00 0.36 C ATOM 2012 O LEU A 118 5.964 -10.302 -4.812 1.00 0.38 O ATOM 2013 CB LEU A 118 4.971 -7.985 -6.732 1.00 0.41 C ATOM 2014 CG LEU A 118 3.678 -7.262 -7.093 1.00 0.49 C ATOM 2015 CD1 LEU A 118 3.703 -6.869 -8.546 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.469 -8.143 -6.816 1.00 0.88 C ATOM 0 H LEU A 118 6.061 -6.128 -5.466 1.00 0.36 H new ATOM 0 HA LEU A 118 4.348 -8.326 -4.714 1.00 0.36 H new ATOM 0 HB2 LEU A 118 5.802 -7.485 -7.229 1.00 0.41 H new ATOM 0 HB3 LEU A 118 4.927 -9.000 -7.128 1.00 0.41 H new ATOM 0 HG LEU A 118 3.599 -6.367 -6.476 1.00 0.49 H new ATOM 0 HD11 LEU A 118 2.777 -6.353 -8.799 1.00 1.21 H new ATOM 0 HD12 LEU A 118 4.549 -6.207 -8.729 1.00 1.21 H new ATOM 0 HD13 LEU A 118 3.801 -7.762 -9.163 1.00 1.21 H new ATOM 0 HD21 LEU A 118 1.559 -7.605 -7.081 1.00 0.88 H new ATOM 0 HD22 LEU A 118 2.539 -9.054 -7.410 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.442 -8.402 -5.757 1.00 0.88 H new ATOM 2028 N LYS A 119 7.558 -8.723 -4.839 1.00 0.36 N ATOM 2029 CA LYS A 119 8.624 -9.629 -4.477 1.00 0.37 C ATOM 2030 C LYS A 119 8.343 -10.174 -3.089 1.00 0.36 C ATOM 2031 O LYS A 119 8.396 -11.381 -2.842 1.00 0.38 O ATOM 2032 CB LYS A 119 9.948 -8.871 -4.479 1.00 0.39 C ATOM 2033 CG LYS A 119 11.148 -9.748 -4.209 1.00 0.43 C ATOM 2034 CD LYS A 119 12.098 -9.123 -3.193 1.00 0.67 C ATOM 2035 CE LYS A 119 12.355 -7.650 -3.477 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.498 -7.119 -2.692 1.00 0.95 N ATOM 0 H LYS A 119 7.860 -7.762 -4.999 1.00 0.36 H new ATOM 0 HA LYS A 119 8.683 -10.451 -5.190 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.076 -8.382 -5.445 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.907 -8.084 -3.726 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.812 -10.718 -3.842 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.682 -9.928 -5.142 1.00 0.43 H new ATOM 0 HD2 LYS A 119 11.679 -9.231 -2.192 1.00 0.67 H new ATOM 0 HD3 LYS A 119 13.044 -9.664 -3.202 1.00 0.67 H new ATOM 0 HE2 LYS A 119 12.553 -7.516 -4.540 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.459 -7.075 -3.245 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.777 -6.191 -3.070 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 13.217 -7.017 -1.696 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 14.301 -7.776 -2.760 1.00 0.95 H new ATOM 2050 N LEU A 120 8.033 -9.247 -2.198 1.00 0.36 N ATOM 2051 CA LEU A 120 7.649 -9.554 -0.843 1.00 0.37 C ATOM 2052 C LEU A 120 6.323 -10.304 -0.790 1.00 0.36 C ATOM 2053 O LEU A 120 6.187 -11.277 -0.045 1.00 0.38 O ATOM 2054 CB LEU A 120 7.536 -8.252 -0.047 1.00 0.39 C ATOM 2055 CG LEU A 120 8.856 -7.700 0.502 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.859 -7.401 -0.598 1.00 1.06 C ATOM 2057 CD2 LEU A 120 8.607 -6.457 1.336 1.00 0.99 C ATOM 0 H LEU A 120 8.043 -8.248 -2.405 1.00 0.36 H new ATOM 0 HA LEU A 120 8.413 -10.199 -0.409 1.00 0.37 H new ATOM 0 HB2 LEU A 120 7.082 -7.494 -0.686 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.855 -8.415 0.788 1.00 0.39 H new ATOM 0 HG LEU A 120 9.288 -8.477 1.133 1.00 0.42 H new ATOM 0 HD11 LEU A 120 10.777 -7.012 -0.157 1.00 1.06 H new ATOM 0 HD12 LEU A 120 10.079 -8.316 -1.148 1.00 1.06 H new ATOM 0 HD13 LEU A 120 9.442 -6.660 -1.279 1.00 1.06 H new ATOM 0 HD21 LEU A 120 9.555 -6.079 1.718 1.00 0.99 H new ATOM 0 HD22 LEU A 120 8.134 -5.693 0.719 1.00 0.99 H new ATOM 0 HD23 LEU A 120 7.953 -6.705 2.172 1.00 0.99 H new ATOM 2069 N TYR A 121 5.345 -9.854 -1.578 1.00 0.35 N ATOM 2070 CA TYR A 121 3.991 -10.372 -1.438 1.00 0.36 C ATOM 2071 C TYR A 121 3.888 -11.806 -1.961 1.00 0.38 C ATOM 2072 O TYR A 121 3.188 -12.633 -1.375 1.00 0.41 O ATOM 2073 CB TYR A 121 2.972 -9.436 -2.108 1.00 0.37 C ATOM 2074 CG TYR A 121 1.580 -10.017 -2.244 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.651 -9.887 -1.218 1.00 0.84 C ATOM 2076 CD2 TYR A 121 1.197 -10.692 -3.394 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -0.618 -10.412 -1.338 1.00 1.13 C ATOM 2078 CE2 TYR A 121 -0.073 -11.218 -3.521 1.00 1.05 C ATOM 2079 CZ TYR A 121 -0.967 -11.095 -2.493 1.00 1.23 C ATOM 2080 OH TYR A 121 -2.243 -11.594 -2.616 1.00 1.54 O ATOM 0 H TYR A 121 5.464 -9.147 -2.304 1.00 0.35 H new ATOM 0 HA TYR A 121 3.749 -10.405 -0.376 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.912 -8.513 -1.532 1.00 0.37 H new ATOM 0 HB3 TYR A 121 3.339 -9.170 -3.099 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.928 -9.367 -0.313 1.00 0.84 H new ATOM 0 HD2 TYR A 121 1.904 -10.808 -4.203 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.334 -10.292 -0.539 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -0.360 -11.726 -4.430 1.00 1.05 H new ATOM 0 HH TYR A 121 -2.866 -11.027 -2.115 1.00 1.54 H new ATOM 2090 N LYS A 122 4.599 -12.100 -3.047 1.00 0.40 N ATOM 2091 CA LYS A 122 4.648 -13.455 -3.590 1.00 0.45 C ATOM 2092 C LYS A 122 5.206 -14.435 -2.566 1.00 0.43 C ATOM 2093 O LYS A 122 4.822 -15.604 -2.530 1.00 0.46 O ATOM 2094 CB LYS A 122 5.525 -13.493 -4.842 1.00 0.52 C ATOM 2095 CG LYS A 122 4.768 -13.363 -6.154 1.00 0.60 C ATOM 2096 CD LYS A 122 3.931 -12.100 -6.229 1.00 1.21 C ATOM 2097 CE LYS A 122 3.348 -11.914 -7.620 1.00 1.27 C ATOM 2098 NZ LYS A 122 2.463 -13.044 -8.012 1.00 1.98 N ATOM 0 H LYS A 122 5.149 -11.418 -3.568 1.00 0.40 H new ATOM 0 HA LYS A 122 3.629 -13.747 -3.843 1.00 0.45 H new ATOM 0 HB2 LYS A 122 6.258 -12.688 -4.780 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.081 -14.430 -4.851 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.479 -13.372 -6.980 1.00 0.60 H new ATOM 0 HG3 LYS A 122 4.120 -14.230 -6.282 1.00 0.60 H new ATOM 0 HD2 LYS A 122 3.125 -12.150 -5.497 1.00 1.21 H new ATOM 0 HD3 LYS A 122 4.544 -11.237 -5.970 1.00 1.21 H new ATOM 0 HE2 LYS A 122 2.783 -10.983 -7.654 1.00 1.27 H new ATOM 0 HE3 LYS A 122 4.159 -11.821 -8.343 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 1.995 -12.822 -8.914 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 3.031 -13.908 -8.121 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 1.743 -13.193 -7.276 1.00 1.98 H new ATOM 2112 N ALA A 123 6.107 -13.939 -1.731 1.00 0.42 N ATOM 2113 CA ALA A 123 6.823 -14.772 -0.775 1.00 0.43 C ATOM 2114 C ALA A 123 6.028 -15.011 0.506 1.00 0.43 C ATOM 2115 O ALA A 123 6.462 -15.778 1.367 1.00 0.70 O ATOM 2116 CB ALA A 123 8.163 -14.135 -0.444 1.00 0.49 C ATOM 0 H ALA A 123 6.362 -12.952 -1.696 1.00 0.42 H new ATOM 0 HA ALA A 123 6.976 -15.745 -1.242 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.696 -14.761 0.272 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.755 -14.039 -1.354 1.00 0.49 H new ATOM 0 HB3 ALA A 123 8.000 -13.148 -0.012 1.00 0.49 H new ATOM 2122 N MET A 124 4.877 -14.366 0.652 1.00 0.44 N ATOM 2123 CA MET A 124 4.084 -14.553 1.860 1.00 0.42 C ATOM 2124 C MET A 124 3.338 -15.880 1.805 1.00 0.42 C ATOM 2125 O MET A 124 3.096 -16.414 0.718 1.00 0.42 O ATOM 2126 CB MET A 124 3.081 -13.415 2.061 1.00 0.41 C ATOM 2127 CG MET A 124 3.727 -12.084 2.402 1.00 0.45 C ATOM 2128 SD MET A 124 2.585 -10.947 3.217 1.00 0.50 S ATOM 2129 CE MET A 124 1.243 -10.896 2.036 1.00 0.46 C ATOM 0 H MET A 124 4.479 -13.724 -0.033 1.00 0.44 H new ATOM 0 HA MET A 124 4.775 -14.554 2.703 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.490 -13.299 1.153 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.390 -13.688 2.859 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.586 -12.257 3.050 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.104 -11.623 1.489 1.00 0.45 H new ATOM 0 HE1 MET A 124 0.880 -9.873 1.942 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.598 -11.246 1.067 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.432 -11.538 2.379 1.00 0.46 H new ATOM 2139 N SER A 125 2.975 -16.411 2.961 1.00 0.47 N ATOM 2140 CA SER A 125 2.164 -17.616 3.012 1.00 0.54 C ATOM 2141 C SER A 125 0.765 -17.318 2.467 1.00 0.58 C ATOM 2142 O SER A 125 0.316 -16.173 2.540 1.00 0.92 O ATOM 2143 CB SER A 125 2.090 -18.136 4.451 1.00 0.62 C ATOM 2144 OG SER A 125 1.544 -19.440 4.510 1.00 1.18 O ATOM 0 H SER A 125 3.228 -16.029 3.872 1.00 0.47 H new ATOM 0 HA SER A 125 2.620 -18.389 2.393 1.00 0.54 H new ATOM 0 HB2 SER A 125 3.088 -18.140 4.888 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.482 -17.460 5.051 1.00 0.62 H new ATOM 0 HG SER A 125 1.514 -19.740 5.442 1.00 1.18 H new ATOM 2150 N ASP A 126 0.088 -18.318 1.909 1.00 0.44 N ATOM 2151 CA ASP A 126 -1.214 -18.095 1.271 1.00 0.43 C ATOM 2152 C ASP A 126 -2.189 -17.418 2.227 1.00 0.39 C ATOM 2153 O ASP A 126 -2.894 -16.477 1.850 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.814 -19.408 0.760 1.00 0.47 C ATOM 2155 CG ASP A 126 -3.182 -19.215 0.128 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -3.246 -18.779 -1.041 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -4.201 -19.500 0.796 1.00 1.81 O ATOM 0 H ASP A 126 0.413 -19.285 1.883 1.00 0.44 H new ATOM 0 HA ASP A 126 -1.046 -17.435 0.420 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -1.139 -19.852 0.029 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -1.896 -20.113 1.587 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.191 -17.872 3.475 1.00 0.38 N ATOM 2163 CA ALA A 127 -3.074 -17.317 4.489 1.00 0.37 C ATOM 2164 C ALA A 127 -2.741 -15.854 4.764 1.00 0.33 C ATOM 2165 O ALA A 127 -3.617 -15.060 5.109 1.00 0.34 O ATOM 2166 CB ALA A 127 -2.986 -18.132 5.769 1.00 0.42 C ATOM 0 H ALA A 127 -1.589 -18.625 3.808 1.00 0.38 H new ATOM 0 HA ALA A 127 -4.096 -17.365 4.113 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.652 -17.705 6.519 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.281 -19.162 5.566 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -1.962 -18.115 6.142 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.470 -15.501 4.603 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.054 -14.123 4.767 1.00 0.31 C ATOM 2174 C GLY A 128 -1.494 -13.276 3.596 1.00 0.29 C ATOM 2175 O GLY A 128 -1.898 -12.125 3.764 1.00 0.30 O ATOM 0 H GLY A 128 -0.719 -16.148 4.361 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.475 -13.721 5.689 1.00 0.31 H new ATOM 0 HA3 GLY A 128 0.031 -14.077 4.865 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.437 -13.863 2.405 1.00 0.32 N ATOM 2180 CA LYS A 129 -1.894 -13.192 1.196 1.00 0.39 C ATOM 2181 C LYS A 129 -3.387 -12.906 1.292 1.00 0.35 C ATOM 2182 O LYS A 129 -3.846 -11.804 0.990 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.617 -14.055 -0.041 1.00 0.56 C ATOM 2184 CG LYS A 129 -0.140 -14.256 -0.343 1.00 0.58 C ATOM 2185 CD LYS A 129 0.053 -15.183 -1.534 1.00 0.59 C ATOM 2186 CE LYS A 129 1.516 -15.302 -1.922 1.00 0.94 C ATOM 2187 NZ LYS A 129 1.722 -16.272 -3.031 1.00 1.32 N ATOM 0 H LYS A 129 -1.077 -14.805 2.252 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.348 -12.253 1.099 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -2.084 -15.030 0.098 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -2.094 -13.594 -0.906 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.327 -13.293 -0.548 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.360 -14.673 0.531 1.00 0.58 H new ATOM 0 HD2 LYS A 129 -0.341 -16.170 -1.294 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.519 -14.809 -2.383 1.00 0.59 H new ATOM 0 HE2 LYS A 129 1.892 -14.324 -2.222 1.00 0.94 H new ATOM 0 HE3 LYS A 129 2.097 -15.615 -1.054 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 2.739 -16.361 -3.230 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 1.341 -17.200 -2.756 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 1.231 -15.935 -3.883 1.00 1.32 H new ATOM 2201 N ALA A 130 -4.134 -13.914 1.730 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.577 -13.806 1.869 1.00 0.37 C ATOM 2203 C ALA A 130 -5.958 -12.776 2.922 1.00 0.33 C ATOM 2204 O ALA A 130 -6.943 -12.053 2.766 1.00 0.38 O ATOM 2205 CB ALA A 130 -6.175 -15.157 2.223 1.00 0.42 C ATOM 0 H ALA A 130 -3.756 -14.823 1.997 1.00 0.35 H new ATOM 0 HA ALA A 130 -5.979 -13.475 0.912 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.256 -15.061 2.324 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -5.946 -15.874 1.434 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.752 -15.506 3.165 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.175 -12.701 3.989 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.484 -11.795 5.088 1.00 0.29 C ATOM 2213 C ASP A 131 -5.184 -10.363 4.674 1.00 0.27 C ATOM 2214 O ASP A 131 -5.847 -9.423 5.103 1.00 0.30 O ATOM 2215 CB ASP A 131 -4.709 -12.198 6.342 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.006 -11.340 7.556 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.199 -11.070 7.815 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.051 -10.878 8.216 1.00 0.45 O ATOM 0 H ASP A 131 -4.326 -13.252 4.118 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.546 -11.860 5.326 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -4.939 -13.237 6.580 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.641 -12.148 6.128 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.202 -10.205 3.805 1.00 0.24 N ATOM 2224 CA PHE A 132 -3.919 -8.910 3.203 1.00 0.22 C ATOM 2225 C PHE A 132 -5.096 -8.462 2.334 1.00 0.23 C ATOM 2226 O PHE A 132 -5.335 -7.267 2.158 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.635 -8.992 2.368 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.264 -7.706 1.683 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.669 -6.676 2.395 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.506 -7.529 0.331 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.326 -5.493 1.769 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.165 -6.349 -0.298 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.579 -5.330 0.417 1.00 0.36 C ATOM 0 H PHE A 132 -3.585 -10.957 3.499 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.776 -8.174 3.994 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -1.813 -9.297 3.015 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.753 -9.771 1.615 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.472 -6.800 3.450 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -2.967 -8.323 -0.237 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -0.862 -4.697 2.333 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.358 -6.225 -1.353 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.317 -4.405 -0.075 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.858 -9.429 1.835 1.00 0.22 N ATOM 2244 CA GLY A 133 -6.940 -9.139 0.914 1.00 0.24 C ATOM 2245 C GLY A 133 -8.159 -8.511 1.563 1.00 0.23 C ATOM 2246 O GLY A 133 -9.026 -7.981 0.869 1.00 0.27 O ATOM 0 H GLY A 133 -5.743 -10.418 2.055 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.571 -8.470 0.137 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.241 -10.064 0.422 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.247 -8.568 2.883 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.394 -8.002 3.580 1.00 0.29 C ATOM 2252 C LYS A 134 -9.108 -6.589 4.063 1.00 0.30 C ATOM 2253 O LYS A 134 -9.992 -5.732 4.083 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.823 -8.902 4.741 1.00 0.34 C ATOM 2255 CG LYS A 134 -8.692 -9.385 5.625 1.00 0.63 C ATOM 2256 CD LYS A 134 -9.129 -10.512 6.553 1.00 1.29 C ATOM 2257 CE LYS A 134 -9.373 -11.826 5.813 1.00 1.61 C ATOM 2258 NZ LYS A 134 -10.673 -11.850 5.088 1.00 2.43 N ATOM 0 H LYS A 134 -7.547 -8.995 3.489 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.219 -7.946 2.870 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -10.540 -8.359 5.357 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.344 -9.770 4.336 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -7.867 -9.729 5.001 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -8.316 -8.552 6.219 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -8.365 -10.666 7.315 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -10.042 -10.217 7.071 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -8.563 -11.993 5.102 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -9.345 -12.650 6.527 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -11.134 -12.771 5.233 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -11.287 -11.094 5.452 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -10.507 -11.702 4.072 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.861 -6.351 4.441 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.446 -5.046 4.941 1.00 0.31 C ATOM 2274 C GLN A 135 -6.975 -4.154 3.795 1.00 0.30 C ATOM 2275 O GLN A 135 -7.089 -2.934 3.861 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.354 -5.219 6.000 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.784 -6.137 7.133 1.00 0.51 C ATOM 2278 CD GLN A 135 -8.054 -5.669 7.820 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -8.351 -4.475 7.871 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.818 -6.609 8.351 1.00 0.75 N ATOM 0 H GLN A 135 -7.115 -7.046 4.411 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.300 -4.555 5.407 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.457 -5.622 5.530 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -6.089 -4.243 6.407 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -6.938 -7.142 6.741 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -5.981 -6.200 7.868 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -8.539 -7.588 8.289 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.686 -6.355 8.822 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.457 -4.773 2.744 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.118 -4.055 1.521 1.00 0.26 C ATOM 2291 C PHE A 136 -6.737 -4.752 0.313 1.00 0.23 C ATOM 2292 O PHE A 136 -6.034 -5.377 -0.487 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.603 -3.950 1.348 1.00 0.31 C ATOM 2294 CG PHE A 136 -3.989 -2.765 2.037 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.061 -1.509 1.458 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.332 -2.900 3.251 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -3.492 -0.413 2.072 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -2.760 -1.808 3.867 1.00 0.37 C ATOM 2299 CZ PHE A 136 -2.841 -0.565 3.277 1.00 0.58 C ATOM 0 H PHE A 136 -6.261 -5.774 2.712 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.523 -3.046 1.597 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.140 -4.860 1.731 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.372 -3.898 0.284 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -4.569 -1.386 0.513 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.268 -3.871 3.719 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -3.556 0.561 1.610 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.249 -1.926 4.811 1.00 0.37 H new ATOM 0 HZ PHE A 136 -2.394 0.291 3.760 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.066 -4.634 0.156 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.812 -5.358 -0.879 1.00 0.30 C ATOM 2311 C PRO A 137 -8.364 -5.002 -2.293 1.00 0.29 C ATOM 2312 O PRO A 137 -8.164 -5.884 -3.128 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.266 -4.922 -0.656 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.302 -4.385 0.732 1.00 0.63 C ATOM 2315 CD PRO A 137 -8.949 -3.784 0.971 1.00 0.34 C ATOM 0 HA PRO A 137 -8.657 -6.434 -0.798 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.566 -4.164 -1.380 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.951 -5.762 -0.772 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.087 -3.637 0.842 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.512 -5.176 1.452 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -8.909 -2.741 0.657 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -8.675 -3.810 2.026 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.184 -3.712 -2.552 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.863 -3.244 -3.896 1.00 0.36 C ATOM 2325 C PHE A 138 -6.478 -3.719 -4.332 1.00 0.35 C ATOM 2326 O PHE A 138 -6.264 -4.037 -5.498 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.943 -1.718 -3.971 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.985 -1.192 -5.379 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -9.185 -1.090 -6.062 1.00 1.21 C ATOM 2330 CD2 PHE A 138 -6.821 -0.794 -6.016 1.00 1.56 C ATOM 2331 CE1 PHE A 138 -9.223 -0.602 -7.354 1.00 1.88 C ATOM 2332 CE2 PHE A 138 -6.853 -0.306 -7.308 1.00 2.23 C ATOM 2333 CZ PHE A 138 -8.078 -0.230 -7.985 1.00 2.31 C ATOM 0 H PHE A 138 -8.254 -2.973 -1.852 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.600 -3.669 -4.578 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.832 -1.381 -3.438 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -7.082 -1.290 -3.457 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -10.102 -1.395 -5.579 1.00 1.21 H new ATOM 0 HD2 PHE A 138 -5.877 -0.866 -5.496 1.00 1.56 H new ATOM 0 HE1 PHE A 138 -10.170 -0.515 -7.867 1.00 1.88 H new ATOM 0 HE2 PHE A 138 -5.942 0.014 -7.792 1.00 2.23 H new ATOM 0 HZ PHE A 138 -8.112 0.123 -9.005 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.544 -3.782 -3.394 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.196 -4.223 -3.719 1.00 0.36 C ATOM 2345 C LEU A 139 -4.162 -5.729 -3.944 1.00 0.33 C ATOM 2346 O LEU A 139 -3.567 -6.198 -4.908 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.203 -3.812 -2.630 1.00 0.40 C ATOM 2348 CG LEU A 139 -2.819 -2.330 -2.631 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -1.972 -1.993 -1.414 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.070 -1.978 -3.908 1.00 0.86 C ATOM 0 H LEU A 139 -5.691 -3.537 -2.415 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.896 -3.733 -4.645 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.629 -4.061 -1.658 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.297 -4.407 -2.742 1.00 0.40 H new ATOM 0 HG LEU A 139 -3.734 -1.740 -2.587 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.710 -0.935 -1.435 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.536 -2.210 -0.507 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -1.062 -2.592 -1.427 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -1.804 -0.921 -3.894 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.164 -2.580 -3.976 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -2.705 -2.181 -4.770 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.829 -6.483 -3.077 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.915 -7.931 -3.246 1.00 0.28 C ATOM 2364 C ALA A 140 -5.610 -8.264 -4.563 1.00 0.28 C ATOM 2365 O ALA A 140 -5.314 -9.272 -5.209 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.654 -8.556 -2.078 1.00 0.25 C ATOM 0 H ALA A 140 -5.315 -6.121 -2.256 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.906 -8.343 -3.272 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.710 -9.635 -2.218 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.122 -8.338 -1.152 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.662 -8.145 -2.023 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.544 -7.400 -4.936 1.00 0.26 N ATOM 2373 CA LYS A 141 -7.189 -7.438 -6.239 1.00 0.27 C ATOM 2374 C LYS A 141 -6.156 -7.392 -7.361 1.00 0.29 C ATOM 2375 O LYS A 141 -5.923 -8.384 -8.054 1.00 0.30 O ATOM 2376 CB LYS A 141 -8.126 -6.232 -6.369 1.00 0.28 C ATOM 2377 CG LYS A 141 -9.060 -6.302 -7.568 1.00 0.36 C ATOM 2378 CD LYS A 141 -10.040 -5.140 -7.575 1.00 1.15 C ATOM 2379 CE LYS A 141 -11.108 -5.308 -8.648 1.00 1.76 C ATOM 2380 NZ LYS A 141 -10.540 -5.279 -10.022 1.00 2.58 N ATOM 0 H LYS A 141 -6.878 -6.646 -4.336 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.751 -8.368 -6.323 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.723 -6.149 -5.461 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.526 -5.325 -6.441 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -8.475 -6.293 -8.488 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.609 -7.243 -7.549 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -10.516 -5.060 -6.598 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -9.499 -4.209 -7.743 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -11.629 -6.253 -8.493 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -11.849 -4.515 -8.547 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -11.307 -5.380 -10.717 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -10.050 -4.375 -10.176 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -9.865 -6.062 -10.135 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.533 -6.227 -7.523 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.594 -5.983 -8.608 1.00 0.36 C ATOM 2396 C VAL A 142 -3.392 -6.923 -8.578 1.00 0.37 C ATOM 2397 O VAL A 142 -2.827 -7.241 -9.628 1.00 0.44 O ATOM 2398 CB VAL A 142 -4.104 -4.521 -8.596 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -5.277 -3.578 -8.440 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -3.092 -4.289 -7.497 1.00 0.48 C ATOM 0 H VAL A 142 -5.667 -5.427 -6.904 1.00 0.31 H new ATOM 0 HA VAL A 142 -5.143 -6.179 -9.529 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.613 -4.322 -9.549 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.918 -2.549 -8.433 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -5.968 -3.716 -9.272 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.791 -3.789 -7.503 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.767 -3.249 -7.516 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.547 -4.510 -6.531 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -2.232 -4.941 -7.651 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.991 -7.362 -7.394 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.829 -8.239 -7.290 1.00 0.36 C ATOM 2406 C PHE A 143 -2.136 -9.610 -7.879 1.00 0.40 C ATOM 2407 O PHE A 143 -1.439 -10.082 -8.776 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.350 -8.399 -5.836 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.770 -7.157 -5.209 1.00 0.34 C ATOM 2410 CD1 PHE A 143 -0.300 -6.111 -5.985 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.687 -7.048 -3.829 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.239 -4.981 -5.402 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.151 -5.919 -3.241 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.314 -4.885 -4.028 1.00 0.39 C ATOM 0 H PHE A 143 -3.440 -7.133 -6.507 1.00 0.33 H new ATOM 0 HA PHE A 143 -1.027 -7.768 -7.859 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -2.191 -8.734 -5.229 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.598 -9.188 -5.803 1.00 0.36 H new ATOM 0 HD1 PHE A 143 -0.356 -6.180 -7.061 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -1.045 -7.855 -3.207 1.00 0.58 H new ATOM 0 HE1 PHE A 143 0.601 -4.174 -6.021 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.096 -5.845 -2.165 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.736 -4.003 -3.569 1.00 0.39 H new ATOM 2424 N GLU A 144 -3.204 -10.229 -7.391 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.522 -11.607 -7.750 1.00 0.45 C ATOM 2426 C GLU A 144 -4.185 -11.704 -9.117 1.00 0.45 C ATOM 2427 O GLU A 144 -4.206 -12.773 -9.727 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.424 -12.232 -6.689 1.00 0.47 C ATOM 2429 CG GLU A 144 -3.738 -12.410 -5.349 1.00 0.60 C ATOM 2430 CD GLU A 144 -2.608 -13.425 -5.404 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -1.484 -13.044 -5.793 1.00 2.58 O ATOM 2432 OE2 GLU A 144 -2.840 -14.604 -5.063 1.00 1.55 O ATOM 0 H GLU A 144 -3.866 -9.799 -6.745 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.581 -12.155 -7.800 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.306 -11.606 -6.557 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -4.772 -13.202 -7.043 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.344 -11.450 -5.016 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -4.472 -12.728 -4.608 1.00 0.60 H new ATOM 2439 N SER A 145 -4.730 -10.597 -9.600 1.00 0.43 N ATOM 2440 CA SER A 145 -5.383 -10.583 -10.899 1.00 0.49 C ATOM 2441 C SER A 145 -4.360 -10.347 -12.013 1.00 0.57 C ATOM 2442 O SER A 145 -4.715 -10.237 -13.187 1.00 1.32 O ATOM 2443 CB SER A 145 -6.468 -9.502 -10.920 1.00 0.50 C ATOM 2444 OG SER A 145 -7.275 -9.590 -12.083 1.00 1.29 O ATOM 0 H SER A 145 -4.733 -9.700 -9.114 1.00 0.43 H new ATOM 0 HA SER A 145 -5.850 -11.553 -11.072 1.00 0.49 H new ATOM 0 HB2 SER A 145 -7.095 -9.599 -10.034 1.00 0.50 H new ATOM 0 HB3 SER A 145 -6.002 -8.518 -10.874 1.00 0.50 H new ATOM 0 HG SER A 145 -6.716 -9.832 -12.851 1.00 1.29 H new ATOM 2450 N GLY A 146 -3.088 -10.271 -11.633 1.00 0.79 N ATOM 2451 CA GLY A 146 -2.030 -10.100 -12.610 1.00 0.78 C ATOM 2452 C GLY A 146 -1.952 -8.686 -13.150 1.00 0.70 C ATOM 2453 O GLY A 146 -1.326 -8.444 -14.181 1.00 1.09 O ATOM 0 H GLY A 146 -2.772 -10.325 -10.665 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -1.075 -10.363 -12.155 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -2.190 -10.792 -13.437 1.00 0.78 H new ATOM 2457 N LYS A 147 -2.575 -7.750 -12.453 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.596 -6.364 -12.894 1.00 0.48 C ATOM 2459 C LYS A 147 -1.279 -5.681 -12.540 1.00 0.40 C ATOM 2460 O LYS A 147 -0.530 -5.260 -13.421 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.771 -5.628 -12.250 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.981 -4.222 -12.778 1.00 0.83 C ATOM 2463 CD LYS A 147 -5.156 -3.550 -12.090 1.00 1.15 C ATOM 2464 CE LYS A 147 -5.392 -2.153 -12.627 1.00 1.55 C ATOM 2465 NZ LYS A 147 -6.521 -1.477 -11.939 1.00 1.98 N ATOM 0 H LYS A 147 -3.073 -7.924 -11.580 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.720 -6.337 -13.977 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.681 -6.206 -12.412 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.611 -5.581 -11.173 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -3.078 -3.632 -12.621 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -4.156 -4.256 -13.853 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -6.054 -4.151 -12.232 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -4.971 -3.502 -11.017 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -4.486 -1.560 -12.505 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -5.598 -2.205 -13.696 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -6.859 -0.685 -12.522 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -7.296 -2.156 -11.794 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -6.200 -1.116 -11.018 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.993 -5.599 -11.246 1.00 0.33 N ATOM 2480 CA ALA A 148 0.266 -5.031 -10.778 1.00 0.29 C ATOM 2481 C ALA A 148 1.410 -5.968 -11.104 1.00 0.31 C ATOM 2482 O ALA A 148 2.506 -5.536 -11.449 1.00 0.34 O ATOM 2483 CB ALA A 148 0.216 -4.774 -9.284 1.00 0.33 C ATOM 0 H ALA A 148 -1.615 -5.918 -10.503 1.00 0.33 H new ATOM 0 HA ALA A 148 0.426 -4.080 -11.287 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.165 -4.350 -8.956 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.590 -4.074 -9.062 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.037 -5.712 -8.759 1.00 0.33 H new ATOM 2489 N ALA A 149 1.134 -7.261 -10.989 1.00 0.35 N ATOM 2490 CA ALA A 149 2.117 -8.293 -11.277 1.00 0.41 C ATOM 2491 C ALA A 149 2.705 -8.141 -12.675 1.00 0.43 C ATOM 2492 O ALA A 149 3.896 -8.347 -12.874 1.00 0.51 O ATOM 2493 CB ALA A 149 1.490 -9.665 -11.103 1.00 0.48 C ATOM 0 H ALA A 149 0.226 -7.621 -10.695 1.00 0.35 H new ATOM 0 HA ALA A 149 2.939 -8.183 -10.570 1.00 0.41 H new ATOM 0 HB1 ALA A 149 2.231 -10.434 -11.320 1.00 0.48 H new ATOM 0 HB2 ALA A 149 1.140 -9.778 -10.077 1.00 0.48 H new ATOM 0 HB3 ALA A 149 0.648 -9.770 -11.787 1.00 0.48 H new ATOM 2499 N LYS A 150 1.880 -7.747 -13.636 1.00 0.41 N ATOM 2500 CA LYS A 150 2.338 -7.618 -15.011 1.00 0.46 C ATOM 2501 C LYS A 150 3.031 -6.271 -15.226 1.00 0.45 C ATOM 2502 O LYS A 150 3.856 -6.121 -16.128 1.00 0.59 O ATOM 2503 CB LYS A 150 1.168 -7.783 -15.982 1.00 0.53 C ATOM 2504 CG LYS A 150 1.599 -8.090 -17.404 1.00 1.16 C ATOM 2505 CD LYS A 150 2.380 -9.393 -17.470 1.00 1.45 C ATOM 2506 CE LYS A 150 2.778 -9.737 -18.894 1.00 1.96 C ATOM 2507 NZ LYS A 150 3.604 -10.968 -18.952 1.00 2.82 N ATOM 0 H LYS A 150 0.898 -7.513 -13.490 1.00 0.41 H new ATOM 0 HA LYS A 150 3.063 -8.408 -15.207 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.521 -8.585 -15.626 1.00 0.53 H new ATOM 0 HB3 LYS A 150 0.573 -6.869 -15.980 1.00 0.53 H new ATOM 0 HG2 LYS A 150 0.721 -8.155 -18.047 1.00 1.16 H new ATOM 0 HG3 LYS A 150 2.213 -7.274 -17.785 1.00 1.16 H new ATOM 0 HD2 LYS A 150 3.274 -9.313 -16.851 1.00 1.45 H new ATOM 0 HD3 LYS A 150 1.776 -10.201 -17.056 1.00 1.45 H new ATOM 0 HE2 LYS A 150 1.882 -9.872 -19.500 1.00 1.96 H new ATOM 0 HE3 LYS A 150 3.334 -8.905 -19.327 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 3.856 -11.171 -19.940 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 4.471 -10.831 -18.395 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 3.064 -11.767 -18.562 1.00 2.82 H new ATOM 2521 N PHE A 151 2.694 -5.300 -14.386 1.00 0.35 N ATOM 2522 CA PHE A 151 3.355 -3.999 -14.397 1.00 0.36 C ATOM 2523 C PHE A 151 4.761 -4.129 -13.825 1.00 0.40 C ATOM 2524 O PHE A 151 5.669 -3.386 -14.195 1.00 0.46 O ATOM 2525 CB PHE A 151 2.543 -2.980 -13.591 1.00 0.34 C ATOM 2526 CG PHE A 151 3.017 -1.561 -13.760 1.00 0.33 C ATOM 2527 CD1 PHE A 151 2.821 -0.885 -14.954 1.00 0.46 C ATOM 2528 CD2 PHE A 151 3.651 -0.900 -12.719 1.00 0.43 C ATOM 2529 CE1 PHE A 151 3.252 0.419 -15.109 1.00 0.49 C ATOM 2530 CE2 PHE A 151 4.083 0.404 -12.869 1.00 0.44 C ATOM 2531 CZ PHE A 151 3.903 1.055 -14.087 1.00 0.39 C ATOM 0 H PHE A 151 1.961 -5.390 -13.683 1.00 0.35 H new ATOM 0 HA PHE A 151 3.423 -3.646 -15.426 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.497 -3.043 -13.891 1.00 0.34 H new ATOM 0 HB3 PHE A 151 2.588 -3.246 -12.535 1.00 0.34 H new ATOM 0 HD1 PHE A 151 2.325 -1.384 -15.774 1.00 0.46 H new ATOM 0 HD2 PHE A 151 3.809 -1.410 -11.780 1.00 0.43 H new ATOM 0 HE1 PHE A 151 3.074 0.938 -16.040 1.00 0.49 H new ATOM 0 HE2 PHE A 151 4.558 0.916 -12.045 1.00 0.44 H new ATOM 0 HZ PHE A 151 4.276 2.059 -14.225 1.00 0.39 H new ATOM 2541 N ALA A 152 4.934 -5.087 -12.927 1.00 0.39 N ATOM 2542 CA ALA A 152 6.240 -5.365 -12.355 1.00 0.44 C ATOM 2543 C ALA A 152 7.019 -6.338 -13.231 1.00 0.52 C ATOM 2544 O ALA A 152 8.238 -6.242 -13.356 1.00 0.59 O ATOM 2545 CB ALA A 152 6.093 -5.949 -10.961 1.00 0.44 C ATOM 0 H ALA A 152 4.184 -5.685 -12.579 1.00 0.39 H new ATOM 0 HA ALA A 152 6.788 -4.424 -12.298 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.080 -6.152 -10.546 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.570 -5.238 -10.322 1.00 0.44 H new ATOM 0 HB3 ALA A 152 5.524 -6.877 -11.013 1.00 0.44 H new ATOM 2551 N GLY A 153 6.301 -7.269 -13.837 1.00 0.65 N ATOM 2552 CA GLY A 153 6.930 -8.351 -14.564 1.00 0.84 C ATOM 2553 C GLY A 153 6.581 -9.685 -13.938 1.00 1.06 C ATOM 2554 O GLY A 153 6.384 -10.681 -14.635 1.00 1.62 O ATOM 0 H GLY A 153 5.281 -7.294 -13.838 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.605 -8.335 -15.604 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.012 -8.215 -14.566 1.00 0.84 H new