USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=41 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 121 TYR OH : rot 1:sc= 0.668 USER MOD Set 1.2: A 122 LYS NZ :NH3+ -171:sc= 0.568 (180deg=0) USER MOD Set 2.1: A 101 THR OG1 : rot -170:sc= -0.76! USER MOD Set 2.2: A 103 ASN : amide:sc= 0.772 X(o=0.012,f=-0.32) USER MOD Set 3.1: A 45 THR OG1 : rot -174:sc= 0.77 USER MOD Set 3.2: A 67 HIS : no HE2:sc= -1.65! C(o=-0.88!,f=-7.7!) USER MOD Set 4.1: A 10 TYR OH : rot 120:sc= -0.0102 USER MOD Set 4.2: A 96 LYS NZ :NH3+ -145:sc= 1.26 (180deg=0.585) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 152:sc= -1.46! (180deg=-2.43!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0.4 USER MOD Single : A 14 MET CE :methyl -139:sc= -0.413 (180deg=-2.6!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.925 K(o=0.93,f=-0.076) USER MOD Single : A 26 SER OG : rot 63:sc= 0.69 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 2.53 (180deg=2.21) USER MOD Single : A 31 THR OG1 : rot 106:sc= 0.0393 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 66:sc= -2.99! USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.0505 (180deg=-0.35) USER MOD Single : A 44 ASN : amide:sc= -3.47! C(o=-3.5!,f=-8.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -155:sc= 0.576 (180deg=0.421) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= -0.0366 (180deg=-0.236) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 173:sc= 0.512 USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.09) USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= 1.23 (180deg=1.07) USER MOD Single : A 69 MET CE :methyl -166:sc= -0.555 (180deg=-1.09) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.0204 (180deg=-0.208) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -111:sc= 0.702 (180deg=-0.656) USER MOD Single : A 82 LYS NZ :NH3+ -130:sc= 0.932 (180deg=0.424) USER MOD Single : A 87 LYS NZ :NH3+ -173:sc=-0.00974 (180deg=-0.0846) USER MOD Single : A 88 SER OG : rot -79:sc= 0.787 USER MOD Single : A 99 TYR OH : rot 165:sc= -0.0553 USER MOD Single : A 100 TYR OH : rot -140:sc= -2.54! USER MOD Single : A 106 THR OG1 : rot -67:sc= 1.14 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 170:sc= 1.3 (180deg=1.21) USER MOD Single : A 113 SER OG : rot -100:sc= -2.37! USER MOD Single : A 115 LYS NZ :NH3+ 139:sc= 1.09 (180deg=0.0124) USER MOD Single : A 119 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.16) USER MOD Single : A 124 MET CE :methyl -144:sc= -0.51 (180deg=-1.05) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 166:sc= 0.365 (180deg=0.268) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.67) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 SER OG : rot -22:sc= 0.251 USER MOD Single : A 147 LYS NZ :NH3+ -167:sc= 1.48 (180deg=1.02) USER MOD Single : A 150 LYS NZ :NH3+ -150:sc= -1.38 (180deg=-2.12!) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 2.599 19.681 -10.485 1.00 1.03 N ATOM 222 CA PHE A 1 2.143 18.352 -10.812 1.00 1.07 C ATOM 223 C PHE A 1 0.828 18.068 -10.088 1.00 0.89 C ATOM 224 O PHE A 1 0.617 18.497 -8.945 1.00 0.81 O ATOM 225 CB PHE A 1 3.222 17.315 -10.452 1.00 1.39 C ATOM 226 CG PHE A 1 3.135 16.707 -9.073 1.00 0.93 C ATOM 227 CD1 PHE A 1 3.694 17.353 -7.978 1.00 1.15 C ATOM 228 CD2 PHE A 1 2.470 15.509 -8.864 1.00 1.11 C ATOM 229 CE1 PHE A 1 3.594 16.814 -6.710 1.00 1.47 C ATOM 230 CE2 PHE A 1 2.363 14.969 -7.596 1.00 1.14 C ATOM 231 CZ PHE A 1 3.017 15.550 -6.545 1.00 1.31 C ATOM 0 H1 PHE A 1 3.494 19.872 -10.979 1.00 1.03 H new ATOM 0 H2 PHE A 1 1.885 20.376 -10.782 1.00 1.03 H new ATOM 0 H3 PHE A 1 2.748 19.754 -9.458 1.00 1.03 H new ATOM 0 HA PHE A 1 1.963 18.281 -11.885 1.00 1.07 H new ATOM 0 HB2 PHE A 1 3.179 16.509 -11.184 1.00 1.39 H new ATOM 0 HB3 PHE A 1 4.199 17.788 -10.556 1.00 1.39 H new ATOM 0 HD1 PHE A 1 4.214 18.289 -8.120 1.00 1.15 H new ATOM 0 HD2 PHE A 1 2.030 14.991 -9.703 1.00 1.11 H new ATOM 0 HE1 PHE A 1 3.958 17.363 -5.854 1.00 1.47 H new ATOM 0 HE2 PHE A 1 1.762 14.086 -7.435 1.00 1.14 H new ATOM 0 HZ PHE A 1 3.087 15.038 -5.597 1.00 1.31 H new ATOM 241 N LYS A 2 -0.046 17.333 -10.747 1.00 0.96 N ATOM 242 CA LYS A 2 -1.375 17.064 -10.223 1.00 0.98 C ATOM 243 C LYS A 2 -1.548 15.571 -9.999 1.00 1.01 C ATOM 244 O LYS A 2 -0.594 14.808 -10.130 1.00 1.42 O ATOM 245 CB LYS A 2 -2.444 17.572 -11.194 1.00 1.14 C ATOM 246 CG LYS A 2 -2.454 19.082 -11.373 1.00 1.62 C ATOM 247 CD LYS A 2 -3.096 19.796 -10.191 1.00 2.02 C ATOM 248 CE LYS A 2 -4.614 19.896 -10.328 1.00 2.67 C ATOM 249 NZ LYS A 2 -5.298 18.575 -10.234 1.00 3.15 N ATOM 0 H LYS A 2 0.141 16.907 -11.655 1.00 0.96 H new ATOM 0 HA LYS A 2 -1.489 17.586 -9.273 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -2.289 17.103 -12.166 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -3.424 17.253 -10.838 1.00 1.14 H new ATOM 0 HG2 LYS A 2 -1.432 19.438 -11.499 1.00 1.62 H new ATOM 0 HG3 LYS A 2 -2.994 19.335 -12.285 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -2.851 19.264 -9.272 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -2.675 20.797 -10.102 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -5.000 20.555 -9.550 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -4.857 20.357 -11.285 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -6.261 18.708 -9.864 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -5.347 18.141 -11.178 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -4.764 17.953 -9.594 1.00 3.15 H new ATOM 263 N TYR A 3 -2.753 15.161 -9.651 1.00 0.91 N ATOM 264 CA TYR A 3 -3.075 13.746 -9.555 1.00 0.94 C ATOM 265 C TYR A 3 -3.087 13.154 -10.960 1.00 1.01 C ATOM 266 O TYR A 3 -2.608 12.044 -11.196 1.00 0.90 O ATOM 267 CB TYR A 3 -4.437 13.575 -8.875 1.00 1.02 C ATOM 268 CG TYR A 3 -4.937 12.152 -8.800 1.00 1.12 C ATOM 269 CD1 TYR A 3 -4.332 11.234 -7.954 1.00 1.31 C ATOM 270 CD2 TYR A 3 -6.000 11.720 -9.585 1.00 1.36 C ATOM 271 CE1 TYR A 3 -4.772 9.928 -7.887 1.00 1.62 C ATOM 272 CE2 TYR A 3 -6.446 10.414 -9.524 1.00 1.78 C ATOM 273 CZ TYR A 3 -5.885 9.544 -8.653 1.00 1.87 C ATOM 274 OH TYR A 3 -6.268 8.222 -8.605 1.00 2.35 O ATOM 0 H TYR A 3 -3.527 15.787 -9.429 1.00 0.91 H new ATOM 0 HA TYR A 3 -2.330 13.224 -8.955 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -4.375 13.976 -7.864 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -5.172 14.175 -9.411 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -3.502 11.547 -7.337 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -6.485 12.416 -10.253 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -4.268 9.212 -7.255 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -7.245 10.087 -10.173 1.00 1.78 H new ATOM 0 HH TYR A 3 -7.051 8.087 -9.178 1.00 2.35 H new ATOM 284 N GLU A 4 -3.612 13.944 -11.884 1.00 1.38 N ATOM 285 CA GLU A 4 -3.699 13.573 -13.287 1.00 1.74 C ATOM 286 C GLU A 4 -2.314 13.392 -13.909 1.00 1.24 C ATOM 287 O GLU A 4 -2.156 12.645 -14.876 1.00 1.52 O ATOM 288 CB GLU A 4 -4.472 14.637 -14.077 1.00 2.44 C ATOM 289 CG GLU A 4 -5.745 15.124 -13.396 1.00 3.05 C ATOM 290 CD GLU A 4 -5.499 16.281 -12.444 1.00 3.65 C ATOM 291 OE1 GLU A 4 -5.116 16.030 -11.283 1.00 3.95 O ATOM 292 OE2 GLU A 4 -5.698 17.446 -12.842 1.00 4.16 O ATOM 0 H GLU A 4 -3.993 14.868 -11.679 1.00 1.38 H new ATOM 0 HA GLU A 4 -4.228 12.621 -13.337 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -3.817 15.491 -14.250 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.730 14.230 -15.055 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -6.463 15.432 -14.156 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -6.196 14.298 -12.847 1.00 3.05 H new ATOM 299 N ASP A 5 -1.308 14.071 -13.354 1.00 0.71 N ATOM 300 CA ASP A 5 0.036 14.026 -13.929 1.00 0.73 C ATOM 301 C ASP A 5 0.745 12.737 -13.553 1.00 0.72 C ATOM 302 O ASP A 5 1.733 12.351 -14.182 1.00 0.90 O ATOM 303 CB ASP A 5 0.879 15.225 -13.491 1.00 1.07 C ATOM 304 CG ASP A 5 0.472 16.512 -14.173 1.00 1.83 C ATOM 305 OD1 ASP A 5 -0.419 17.208 -13.649 1.00 2.57 O ATOM 306 OD2 ASP A 5 1.036 16.826 -15.240 1.00 2.15 O ATOM 0 H ASP A 5 -1.396 14.650 -12.519 1.00 0.71 H new ATOM 0 HA ASP A 5 -0.080 14.066 -15.012 1.00 0.73 H new ATOM 0 HB2 ASP A 5 0.792 15.349 -12.412 1.00 1.07 H new ATOM 0 HB3 ASP A 5 1.928 15.022 -13.705 1.00 1.07 H new ATOM 311 N ILE A 6 0.236 12.077 -12.528 1.00 0.58 N ATOM 312 CA ILE A 6 0.777 10.802 -12.095 1.00 0.55 C ATOM 313 C ILE A 6 0.222 9.713 -12.999 1.00 0.54 C ATOM 314 O ILE A 6 -0.992 9.627 -13.170 1.00 0.58 O ATOM 315 CB ILE A 6 0.391 10.502 -10.629 1.00 0.55 C ATOM 316 CG1 ILE A 6 0.797 11.668 -9.725 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.042 9.208 -10.156 1.00 0.56 C ATOM 318 CD1 ILE A 6 0.333 11.517 -8.293 1.00 0.69 C ATOM 0 H ILE A 6 -0.557 12.406 -11.977 1.00 0.58 H new ATOM 0 HA ILE A 6 1.865 10.837 -12.156 1.00 0.55 H new ATOM 0 HB ILE A 6 -0.691 10.379 -10.575 1.00 0.55 H new ATOM 0 HG12 ILE A 6 1.883 11.765 -9.738 1.00 0.63 H new ATOM 0 HG13 ILE A 6 0.390 12.592 -10.134 1.00 0.63 H new ATOM 0 HG21 ILE A 6 0.758 9.015 -9.122 1.00 0.56 H new ATOM 0 HG22 ILE A 6 0.709 8.382 -10.784 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.126 9.300 -10.223 1.00 0.56 H new ATOM 0 HD11 ILE A 6 0.657 12.381 -7.712 1.00 0.69 H new ATOM 0 HD12 ILE A 6 -0.755 11.451 -8.268 1.00 0.69 H new ATOM 0 HD13 ILE A 6 0.762 10.611 -7.865 1.00 0.69 H new ATOM 325 N PRO A 7 1.103 8.893 -13.610 1.00 0.53 N ATOM 326 CA PRO A 7 0.706 7.845 -14.556 1.00 0.55 C ATOM 327 C PRO A 7 -0.531 7.074 -14.108 1.00 0.53 C ATOM 328 O PRO A 7 -0.505 6.360 -13.100 1.00 0.52 O ATOM 329 CB PRO A 7 1.932 6.936 -14.587 1.00 0.55 C ATOM 330 CG PRO A 7 3.075 7.859 -14.354 1.00 0.60 C ATOM 331 CD PRO A 7 2.568 8.927 -13.419 1.00 0.54 C ATOM 0 HA PRO A 7 0.428 8.254 -15.528 1.00 0.55 H new ATOM 0 HB2 PRO A 7 1.877 6.167 -13.817 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.023 6.422 -15.544 1.00 0.55 H new ATOM 0 HG2 PRO A 7 3.921 7.329 -13.917 1.00 0.60 H new ATOM 0 HG3 PRO A 7 3.421 8.294 -15.291 1.00 0.60 H new ATOM 0 HD2 PRO A 7 2.842 8.717 -12.385 1.00 0.54 H new ATOM 0 HD3 PRO A 7 2.981 9.905 -13.666 1.00 0.54 H new ATOM 339 N ALA A 8 -1.608 7.228 -14.871 1.00 0.55 N ATOM 340 CA ALA A 8 -2.896 6.626 -14.548 1.00 0.54 C ATOM 341 C ALA A 8 -2.800 5.113 -14.438 1.00 0.55 C ATOM 342 O ALA A 8 -3.596 4.485 -13.736 1.00 0.56 O ATOM 343 CB ALA A 8 -3.932 7.006 -15.593 1.00 0.57 C ATOM 0 H ALA A 8 -1.612 7.775 -15.732 1.00 0.55 H new ATOM 0 HA ALA A 8 -3.204 7.012 -13.576 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.889 6.550 -15.339 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -4.042 8.090 -15.619 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -3.609 6.651 -16.572 1.00 0.57 H new ATOM 349 N ASP A 9 -1.819 4.532 -15.126 1.00 0.55 N ATOM 350 CA ASP A 9 -1.633 3.088 -15.103 1.00 0.57 C ATOM 351 C ASP A 9 -1.320 2.634 -13.684 1.00 0.54 C ATOM 352 O ASP A 9 -1.778 1.593 -13.216 1.00 0.55 O ATOM 353 CB ASP A 9 -0.490 2.677 -16.038 1.00 0.61 C ATOM 354 CG ASP A 9 -0.832 2.869 -17.501 1.00 0.93 C ATOM 355 OD1 ASP A 9 -1.427 1.952 -18.102 1.00 1.33 O ATOM 356 OD2 ASP A 9 -0.508 3.938 -18.060 1.00 1.37 O ATOM 0 H ASP A 9 -1.146 5.038 -15.702 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.553 2.613 -15.445 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.398 3.261 -15.797 1.00 0.61 H new ATOM 0 HB3 ASP A 9 -0.241 1.631 -15.862 1.00 0.61 H new ATOM 361 N TYR A 10 -0.526 3.461 -13.012 1.00 0.52 N ATOM 362 CA TYR A 10 -0.070 3.202 -11.656 1.00 0.50 C ATOM 363 C TYR A 10 -1.136 3.580 -10.633 1.00 0.49 C ATOM 364 O TYR A 10 -1.264 2.933 -9.593 1.00 0.51 O ATOM 365 CB TYR A 10 1.223 3.986 -11.407 1.00 0.52 C ATOM 366 CG TYR A 10 1.642 4.076 -9.957 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.172 2.980 -9.290 1.00 0.59 C ATOM 368 CD2 TYR A 10 1.510 5.270 -9.258 1.00 0.59 C ATOM 369 CE1 TYR A 10 2.557 3.071 -7.965 1.00 0.66 C ATOM 370 CE2 TYR A 10 1.893 5.368 -7.937 1.00 0.66 C ATOM 371 CZ TYR A 10 2.415 4.270 -7.295 1.00 0.70 C ATOM 372 OH TYR A 10 2.795 4.369 -5.976 1.00 0.80 O ATOM 0 H TYR A 10 -0.179 4.338 -13.400 1.00 0.52 H new ATOM 0 HA TYR A 10 0.122 2.135 -11.543 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.028 3.520 -11.975 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.100 4.996 -11.798 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.285 2.042 -9.814 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.101 6.135 -9.758 1.00 0.59 H new ATOM 0 HE1 TYR A 10 2.966 2.210 -7.457 1.00 0.66 H new ATOM 0 HE2 TYR A 10 1.783 6.304 -7.409 1.00 0.66 H new ATOM 0 HH TYR A 10 3.494 5.050 -5.887 1.00 0.80 H new ATOM 382 N ARG A 11 -1.910 4.625 -10.925 1.00 0.48 N ATOM 383 CA ARG A 11 -2.970 5.053 -10.014 1.00 0.49 C ATOM 384 C ARG A 11 -4.044 3.976 -9.953 1.00 0.50 C ATOM 385 O ARG A 11 -4.799 3.876 -8.989 1.00 0.54 O ATOM 386 CB ARG A 11 -3.588 6.382 -10.459 1.00 0.51 C ATOM 387 CG ARG A 11 -2.568 7.458 -10.800 1.00 0.48 C ATOM 388 CD ARG A 11 -3.231 8.805 -11.054 1.00 0.60 C ATOM 389 NE ARG A 11 -4.392 8.704 -11.944 1.00 0.88 N ATOM 390 CZ ARG A 11 -4.571 9.448 -13.038 1.00 1.19 C ATOM 391 NH1 ARG A 11 -3.624 10.276 -13.458 1.00 1.61 N ATOM 392 NH2 ARG A 11 -5.694 9.339 -13.734 1.00 1.73 N ATOM 0 H ARG A 11 -1.825 5.184 -11.774 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.536 5.203 -9.026 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -4.217 6.204 -11.331 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -4.239 6.751 -9.666 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.853 7.553 -9.983 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -2.004 7.158 -11.683 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -3.543 9.237 -10.103 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -2.502 9.488 -11.490 1.00 0.60 H new ATOM 0 HE ARG A 11 -5.111 8.019 -11.712 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -2.746 10.350 -12.944 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -3.773 10.839 -14.295 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -6.419 8.688 -13.433 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -5.833 9.906 -14.570 1.00 1.73 H new ATOM 406 N ASP A 12 -4.073 3.169 -11.004 1.00 0.48 N ATOM 407 CA ASP A 12 -5.004 2.057 -11.141 1.00 0.50 C ATOM 408 C ASP A 12 -4.638 0.899 -10.215 1.00 0.52 C ATOM 409 O ASP A 12 -5.402 -0.060 -10.078 1.00 0.62 O ATOM 410 CB ASP A 12 -4.975 1.565 -12.589 1.00 0.51 C ATOM 411 CG ASP A 12 -6.325 1.058 -13.051 1.00 0.76 C ATOM 412 OD1 ASP A 12 -7.312 1.816 -12.949 1.00 1.02 O ATOM 413 OD2 ASP A 12 -6.403 -0.086 -13.537 1.00 0.99 O ATOM 0 H ASP A 12 -3.441 3.270 -11.798 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.999 2.408 -10.868 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.652 2.378 -13.240 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -4.238 0.768 -12.685 1.00 0.51 H new ATOM 418 N LEU A 13 -3.457 0.970 -9.606 1.00 0.50 N ATOM 419 CA LEU A 13 -2.995 -0.082 -8.707 1.00 0.53 C ATOM 420 C LEU A 13 -3.190 0.305 -7.245 1.00 0.62 C ATOM 421 O LEU A 13 -3.606 -0.515 -6.429 1.00 0.93 O ATOM 422 CB LEU A 13 -1.512 -0.381 -8.947 1.00 0.49 C ATOM 423 CG LEU A 13 -1.149 -0.847 -10.356 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.344 -1.119 -10.450 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.943 -2.087 -10.730 1.00 0.88 C ATOM 0 H LEU A 13 -2.803 1.745 -9.719 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.591 -0.970 -8.919 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.938 0.518 -8.723 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -1.195 -1.146 -8.238 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.403 -0.055 -11.061 1.00 0.44 H new ATOM 0 HD11 LEU A 13 0.591 -1.450 -11.459 1.00 0.78 H new ATOM 0 HD12 LEU A 13 0.895 -0.206 -10.223 1.00 0.78 H new ATOM 0 HD13 LEU A 13 0.618 -1.895 -9.736 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.671 -2.404 -11.737 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.720 -2.888 -10.025 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -3.009 -1.860 -10.697 1.00 0.88 H new ATOM 437 N MET A 14 -2.880 1.552 -6.918 1.00 0.55 N ATOM 438 CA MET A 14 -2.925 2.005 -5.533 1.00 0.64 C ATOM 439 C MET A 14 -4.366 2.233 -5.079 1.00 0.55 C ATOM 440 O MET A 14 -5.215 2.669 -5.858 1.00 0.53 O ATOM 441 CB MET A 14 -2.072 3.269 -5.344 1.00 0.82 C ATOM 442 CG MET A 14 -2.533 4.480 -6.137 1.00 0.97 C ATOM 443 SD MET A 14 -1.381 5.863 -5.977 1.00 1.15 S ATOM 444 CE MET A 14 -2.258 7.161 -6.845 1.00 1.04 C ATOM 0 H MET A 14 -2.596 2.266 -7.589 1.00 0.55 H new ATOM 0 HA MET A 14 -2.502 1.221 -4.905 1.00 0.64 H new ATOM 0 HB2 MET A 14 -2.064 3.529 -4.285 1.00 0.82 H new ATOM 0 HB3 MET A 14 -1.044 3.040 -5.624 1.00 0.82 H new ATOM 0 HG2 MET A 14 -2.633 4.210 -7.188 1.00 0.97 H new ATOM 0 HG3 MET A 14 -3.520 4.787 -5.791 1.00 0.97 H new ATOM 0 HE1 MET A 14 -1.555 7.733 -7.450 1.00 1.04 H new ATOM 0 HE2 MET A 14 -3.017 6.719 -7.491 1.00 1.04 H new ATOM 0 HE3 MET A 14 -2.737 7.822 -6.123 1.00 1.04 H new ATOM 454 N PRO A 15 -4.653 1.924 -3.801 1.00 0.62 N ATOM 455 CA PRO A 15 -6.017 1.932 -3.261 1.00 0.67 C ATOM 456 C PRO A 15 -6.593 3.335 -3.073 1.00 0.59 C ATOM 457 O PRO A 15 -5.837 4.301 -2.939 1.00 0.57 O ATOM 458 CB PRO A 15 -5.861 1.235 -1.908 1.00 0.88 C ATOM 459 CG PRO A 15 -4.456 1.513 -1.505 1.00 0.90 C ATOM 460 CD PRO A 15 -3.661 1.539 -2.779 1.00 0.74 C ATOM 0 HA PRO A 15 -6.715 1.445 -3.942 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -6.568 1.626 -1.176 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -6.046 0.164 -1.990 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -4.381 2.464 -0.978 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -4.084 0.744 -0.828 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -2.842 2.256 -2.726 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -3.219 0.566 -2.996 1.00 0.74 H new ATOM 468 N PRO A 16 -7.936 3.457 -3.068 1.00 0.65 N ATOM 469 CA PRO A 16 -8.638 4.745 -2.985 1.00 0.70 C ATOM 470 C PRO A 16 -8.036 5.725 -1.977 1.00 0.71 C ATOM 471 O PRO A 16 -7.815 6.887 -2.312 1.00 0.74 O ATOM 472 CB PRO A 16 -10.047 4.341 -2.565 1.00 0.85 C ATOM 473 CG PRO A 16 -10.240 2.993 -3.166 1.00 0.96 C ATOM 474 CD PRO A 16 -8.887 2.329 -3.152 1.00 0.76 C ATOM 0 HA PRO A 16 -8.581 5.284 -3.931 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -10.145 4.310 -1.480 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.790 5.050 -2.932 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -10.965 2.412 -2.595 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -10.625 3.072 -4.183 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.782 1.654 -2.302 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -8.724 1.736 -4.052 1.00 0.76 H new ATOM 482 N GLU A 17 -7.751 5.267 -0.761 1.00 0.78 N ATOM 483 CA GLU A 17 -7.215 6.151 0.273 1.00 0.89 C ATOM 484 C GLU A 17 -5.926 6.840 -0.184 1.00 0.84 C ATOM 485 O GLU A 17 -5.781 8.052 -0.035 1.00 1.13 O ATOM 486 CB GLU A 17 -6.984 5.404 1.595 1.00 1.09 C ATOM 487 CG GLU A 17 -6.382 4.022 1.434 1.00 1.48 C ATOM 488 CD GLU A 17 -7.438 2.939 1.336 1.00 1.36 C ATOM 489 OE1 GLU A 17 -7.977 2.728 0.230 1.00 1.65 O ATOM 490 OE2 GLU A 17 -7.748 2.307 2.369 1.00 1.83 O ATOM 0 H GLU A 17 -7.880 4.299 -0.468 1.00 0.78 H new ATOM 0 HA GLU A 17 -7.967 6.921 0.447 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -6.327 6.002 2.227 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -7.936 5.314 2.119 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -5.760 4.002 0.539 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -5.728 3.813 2.281 1.00 1.48 H new ATOM 497 N ALA A 18 -5.014 6.084 -0.783 1.00 0.72 N ATOM 498 CA ALA A 18 -3.735 6.639 -1.223 1.00 0.73 C ATOM 499 C ALA A 18 -3.925 7.571 -2.414 1.00 0.62 C ATOM 500 O ALA A 18 -3.042 8.360 -2.754 1.00 0.72 O ATOM 501 CB ALA A 18 -2.765 5.519 -1.571 1.00 0.82 C ATOM 0 H ALA A 18 -5.133 5.089 -0.976 1.00 0.72 H new ATOM 0 HA ALA A 18 -3.316 7.222 -0.403 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -1.817 5.947 -1.897 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -2.599 4.896 -0.692 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -3.184 4.911 -2.373 1.00 0.82 H new ATOM 507 N ARG A 19 -5.084 7.472 -3.043 1.00 0.52 N ATOM 508 CA ARG A 19 -5.430 8.326 -4.164 1.00 0.49 C ATOM 509 C ARG A 19 -6.147 9.575 -3.668 1.00 0.50 C ATOM 510 O ARG A 19 -6.010 10.648 -4.244 1.00 0.52 O ATOM 511 CB ARG A 19 -6.319 7.554 -5.143 1.00 0.52 C ATOM 512 CG ARG A 19 -5.659 6.294 -5.681 1.00 0.64 C ATOM 513 CD ARG A 19 -6.666 5.331 -6.288 1.00 0.72 C ATOM 514 NE ARG A 19 -7.316 5.864 -7.482 1.00 1.01 N ATOM 515 CZ ARG A 19 -7.860 5.099 -8.427 1.00 1.43 C ATOM 516 NH1 ARG A 19 -7.749 3.776 -8.358 1.00 1.46 N ATOM 517 NH2 ARG A 19 -8.490 5.655 -9.453 1.00 2.16 N ATOM 0 H ARG A 19 -5.808 6.800 -2.791 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.519 8.632 -4.678 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.250 7.285 -4.644 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.581 8.205 -5.977 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.920 6.567 -6.435 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -5.122 5.795 -4.874 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -6.162 4.398 -6.541 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -7.425 5.091 -5.544 1.00 0.72 H new ATOM 0 HE ARG A 19 -7.356 6.877 -7.599 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -7.247 3.346 -7.581 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -8.166 3.191 -9.082 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -8.559 6.670 -9.520 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -8.906 5.067 -10.175 1.00 2.16 H new ATOM 531 N ASP A 20 -6.899 9.415 -2.581 1.00 0.53 N ATOM 532 CA ASP A 20 -7.695 10.495 -1.991 1.00 0.57 C ATOM 533 C ASP A 20 -6.837 11.710 -1.645 1.00 0.56 C ATOM 534 O ASP A 20 -7.177 12.839 -1.992 1.00 0.57 O ATOM 535 CB ASP A 20 -8.408 9.994 -0.733 1.00 0.63 C ATOM 536 CG ASP A 20 -9.385 11.006 -0.171 1.00 0.80 C ATOM 537 OD1 ASP A 20 -8.971 11.836 0.662 1.00 0.98 O ATOM 538 OD2 ASP A 20 -10.570 10.989 -0.563 1.00 1.06 O ATOM 0 H ASP A 20 -6.975 8.529 -2.081 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.430 10.804 -2.734 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -8.940 9.072 -0.965 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -7.666 9.751 0.027 1.00 0.63 H new ATOM 543 N PHE A 21 -5.728 11.473 -0.955 1.00 0.57 N ATOM 544 CA PHE A 21 -4.801 12.542 -0.582 1.00 0.57 C ATOM 545 C PHE A 21 -4.353 13.346 -1.809 1.00 0.55 C ATOM 546 O PHE A 21 -4.578 14.551 -1.855 1.00 0.64 O ATOM 547 CB PHE A 21 -3.598 11.964 0.181 1.00 0.60 C ATOM 548 CG PHE A 21 -2.661 12.998 0.750 1.00 0.59 C ATOM 549 CD1 PHE A 21 -2.883 13.538 2.007 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.556 13.422 0.031 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.021 14.484 2.533 1.00 0.65 C ATOM 552 CE2 PHE A 21 -0.692 14.367 0.553 1.00 0.65 C ATOM 553 CZ PHE A 21 -0.925 14.897 1.804 1.00 0.63 C ATOM 0 H PHE A 21 -5.445 10.545 -0.639 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.324 13.232 0.080 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -3.967 11.340 0.995 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.037 11.314 -0.490 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -3.739 13.217 2.583 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.367 13.010 -0.949 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -2.206 14.899 3.513 1.00 0.65 H new ATOM 0 HE2 PHE A 21 0.165 14.690 -0.019 1.00 0.65 H new ATOM 0 HZ PHE A 21 -0.250 15.635 2.213 1.00 0.63 H new ATOM 563 N LEU A 22 -3.767 12.717 -2.807 1.00 0.56 N ATOM 564 CA LEU A 22 -3.322 13.464 -3.987 1.00 0.55 C ATOM 565 C LEU A 22 -4.480 13.799 -4.924 1.00 0.54 C ATOM 566 O LEU A 22 -4.298 14.540 -5.890 1.00 0.57 O ATOM 567 CB LEU A 22 -2.210 12.725 -4.724 1.00 0.56 C ATOM 568 CG LEU A 22 -0.890 12.650 -3.968 1.00 0.65 C ATOM 569 CD1 LEU A 22 0.066 11.691 -4.653 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.272 14.031 -3.868 1.00 1.13 C ATOM 0 H LEU A 22 -3.586 11.714 -2.836 1.00 0.56 H new ATOM 0 HA LEU A 22 -2.915 14.410 -3.630 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.547 11.712 -4.942 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.038 13.216 -5.682 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.085 12.276 -2.963 1.00 0.65 H new ATOM 0 HD11 LEU A 22 1.003 11.652 -4.097 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.378 10.696 -4.686 1.00 1.04 H new ATOM 0 HD13 LEU A 22 0.261 12.035 -5.669 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.672 13.969 -3.326 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.090 14.422 -4.869 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -0.952 14.697 -3.337 1.00 1.13 H new ATOM 582 N GLN A 23 -5.661 13.278 -4.642 1.00 0.52 N ATOM 583 CA GLN A 23 -6.879 13.808 -5.238 1.00 0.52 C ATOM 584 C GLN A 23 -7.168 15.209 -4.687 1.00 0.53 C ATOM 585 O GLN A 23 -7.675 16.080 -5.399 1.00 0.54 O ATOM 586 CB GLN A 23 -8.052 12.864 -4.956 1.00 0.53 C ATOM 587 CG GLN A 23 -9.376 13.336 -5.524 1.00 0.78 C ATOM 588 CD GLN A 23 -10.499 12.354 -5.262 1.00 1.38 C ATOM 589 OE1 GLN A 23 -10.758 11.462 -6.070 1.00 2.05 O ATOM 590 NE2 GLN A 23 -11.173 12.509 -4.135 1.00 2.06 N ATOM 0 H GLN A 23 -5.805 12.492 -4.008 1.00 0.52 H new ATOM 0 HA GLN A 23 -6.746 13.883 -6.317 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -7.821 11.882 -5.368 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.154 12.741 -3.878 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.632 14.302 -5.088 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.274 13.489 -6.598 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -10.926 13.262 -3.492 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -11.940 11.876 -3.908 1.00 2.06 H new ATOM 599 N ASN A 24 -6.836 15.420 -3.413 1.00 0.58 N ATOM 600 CA ASN A 24 -7.049 16.716 -2.769 1.00 0.65 C ATOM 601 C ASN A 24 -5.974 17.711 -3.180 1.00 0.60 C ATOM 602 O ASN A 24 -6.282 18.801 -3.667 1.00 0.63 O ATOM 603 CB ASN A 24 -7.079 16.586 -1.241 1.00 0.85 C ATOM 604 CG ASN A 24 -8.394 16.042 -0.715 1.00 1.10 C ATOM 605 OD1 ASN A 24 -9.332 16.794 -0.457 1.00 1.84 O ATOM 606 ND2 ASN A 24 -8.480 14.734 -0.550 1.00 1.21 N ATOM 0 H ASN A 24 -6.420 14.712 -2.808 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.019 17.085 -3.102 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -6.268 15.931 -0.922 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -6.893 17.563 -0.796 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -9.344 14.320 -0.199 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -7.683 14.138 -0.774 1.00 1.21 H new ATOM 613 N LEU A 25 -4.716 17.326 -2.986 1.00 0.60 N ATOM 614 CA LEU A 25 -3.580 18.163 -3.342 1.00 0.65 C ATOM 615 C LEU A 25 -3.654 18.568 -4.817 1.00 0.64 C ATOM 616 O LEU A 25 -3.837 17.721 -5.690 1.00 0.64 O ATOM 617 CB LEU A 25 -2.271 17.408 -3.077 1.00 0.76 C ATOM 618 CG LEU A 25 -1.817 17.270 -1.619 1.00 0.59 C ATOM 619 CD1 LEU A 25 -1.409 18.609 -1.074 1.00 0.81 C ATOM 620 CD2 LEU A 25 -2.874 16.663 -0.726 1.00 1.05 C ATOM 0 H LEU A 25 -4.458 16.427 -2.579 1.00 0.60 H new ATOM 0 HA LEU A 25 -3.607 19.064 -2.729 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.370 16.406 -3.495 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -1.476 17.908 -3.631 1.00 0.76 H new ATOM 0 HG LEU A 25 -0.966 16.589 -1.622 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.089 18.498 -0.038 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -0.586 19.008 -1.667 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.256 19.294 -1.121 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -2.493 16.592 0.293 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -3.764 17.292 -0.737 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -3.129 15.667 -1.089 1.00 1.05 H new ATOM 632 N SER A 26 -3.467 19.857 -5.099 1.00 0.73 N ATOM 633 CA SER A 26 -3.693 20.365 -6.465 1.00 0.83 C ATOM 634 C SER A 26 -2.598 21.345 -6.908 1.00 1.02 C ATOM 635 O SER A 26 -1.607 20.915 -7.496 1.00 1.78 O ATOM 636 CB SER A 26 -5.084 20.997 -6.593 1.00 0.93 C ATOM 637 OG SER A 26 -6.093 20.066 -6.232 1.00 1.72 O ATOM 0 H SER A 26 -3.167 20.559 -4.423 1.00 0.73 H new ATOM 0 HA SER A 26 -3.644 19.508 -7.137 1.00 0.83 H new ATOM 0 HB2 SER A 26 -5.149 21.878 -5.954 1.00 0.93 H new ATOM 0 HB3 SER A 26 -5.243 21.334 -7.617 1.00 0.93 H new ATOM 0 HG SER A 26 -5.988 19.819 -5.290 1.00 1.72 H new ATOM 643 N ASP A 27 -2.759 22.643 -6.614 1.00 0.96 N ATOM 644 CA ASP A 27 -1.715 23.642 -6.897 1.00 1.11 C ATOM 645 C ASP A 27 -1.472 24.552 -5.676 1.00 1.13 C ATOM 646 O ASP A 27 -2.385 25.178 -5.172 1.00 1.95 O ATOM 647 CB ASP A 27 -2.081 24.476 -8.139 1.00 1.42 C ATOM 648 CG ASP A 27 -3.346 25.306 -7.981 1.00 1.84 C ATOM 649 OD1 ASP A 27 -4.396 24.743 -7.600 1.00 2.19 O ATOM 650 OD2 ASP A 27 -3.299 26.521 -8.279 1.00 2.39 O ATOM 0 H ASP A 27 -3.599 23.026 -6.181 1.00 0.96 H new ATOM 0 HA ASP A 27 -0.787 23.109 -7.106 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -1.250 25.141 -8.374 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -2.203 23.806 -8.990 1.00 1.42 H new ATOM 655 N GLY A 28 -0.247 24.548 -5.145 1.00 0.93 N ATOM 656 CA GLY A 28 0.087 25.395 -4.002 1.00 0.87 C ATOM 657 C GLY A 28 0.552 24.647 -2.736 1.00 0.75 C ATOM 658 O GLY A 28 1.552 25.029 -2.132 1.00 0.73 O ATOM 0 H GLY A 28 0.523 23.972 -5.486 1.00 0.93 H new ATOM 0 HA2 GLY A 28 0.873 26.088 -4.303 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -0.787 25.995 -3.748 1.00 0.87 H new ATOM 662 N ASP A 29 -0.161 23.589 -2.324 1.00 0.70 N ATOM 663 CA ASP A 29 0.105 22.953 -1.020 1.00 0.67 C ATOM 664 C ASP A 29 1.043 21.740 -1.064 1.00 0.59 C ATOM 665 O ASP A 29 1.439 21.231 -0.026 1.00 0.60 O ATOM 666 CB ASP A 29 -1.186 22.591 -0.293 1.00 0.80 C ATOM 667 CG ASP A 29 -1.337 23.388 0.991 1.00 1.47 C ATOM 668 OD1 ASP A 29 -0.675 24.438 1.143 1.00 2.25 O ATOM 669 OD2 ASP A 29 -2.113 22.955 1.868 1.00 1.74 O ATOM 0 H ASP A 29 -0.914 23.160 -2.862 1.00 0.70 H new ATOM 0 HA ASP A 29 0.639 23.720 -0.459 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -2.039 22.782 -0.945 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -1.191 21.525 -0.065 1.00 0.80 H new ATOM 674 N LYS A 30 1.416 21.286 -2.242 1.00 0.63 N ATOM 675 CA LYS A 30 2.453 20.261 -2.365 1.00 0.65 C ATOM 676 C LYS A 30 3.804 20.943 -2.246 1.00 0.61 C ATOM 677 O LYS A 30 4.834 20.303 -2.039 1.00 0.65 O ATOM 678 CB LYS A 30 2.374 19.533 -3.708 1.00 0.78 C ATOM 679 CG LYS A 30 1.215 18.555 -3.867 1.00 0.92 C ATOM 680 CD LYS A 30 1.077 18.118 -5.322 1.00 0.89 C ATOM 681 CE LYS A 30 -0.118 17.209 -5.553 1.00 0.96 C ATOM 682 NZ LYS A 30 -0.181 16.704 -6.951 1.00 1.31 N ATOM 0 H LYS A 30 1.024 21.603 -3.129 1.00 0.63 H new ATOM 0 HA LYS A 30 2.310 19.520 -1.578 1.00 0.65 H new ATOM 0 HB2 LYS A 30 2.306 20.279 -4.500 1.00 0.78 H new ATOM 0 HB3 LYS A 30 3.306 18.990 -3.860 1.00 0.78 H new ATOM 0 HG2 LYS A 30 1.378 17.683 -3.234 1.00 0.92 H new ATOM 0 HG3 LYS A 30 0.289 19.023 -3.533 1.00 0.92 H new ATOM 0 HD2 LYS A 30 0.984 19.001 -5.954 1.00 0.89 H new ATOM 0 HD3 LYS A 30 1.986 17.601 -5.629 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -0.067 16.364 -4.866 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -1.035 17.752 -5.324 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.107 16.261 -7.119 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -0.051 17.496 -7.612 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 0.571 16.001 -7.101 1.00 1.31 H new ATOM 696 N THR A 31 3.772 22.262 -2.398 1.00 0.60 N ATOM 697 CA THR A 31 4.942 23.100 -2.236 1.00 0.61 C ATOM 698 C THR A 31 5.482 22.982 -0.817 1.00 0.52 C ATOM 699 O THR A 31 6.681 23.078 -0.583 1.00 0.54 O ATOM 700 CB THR A 31 4.584 24.569 -2.522 1.00 0.68 C ATOM 701 OG1 THR A 31 4.065 24.681 -3.853 1.00 0.80 O ATOM 702 CG2 THR A 31 5.796 25.475 -2.353 1.00 0.76 C ATOM 0 H THR A 31 2.926 22.778 -2.639 1.00 0.60 H new ATOM 0 HA THR A 31 5.704 22.768 -2.941 1.00 0.61 H new ATOM 0 HB THR A 31 3.828 24.888 -1.805 1.00 0.68 H new ATOM 0 HG1 THR A 31 3.095 24.812 -3.816 1.00 0.80 H new ATOM 0 HG21 THR A 31 5.511 26.506 -2.562 1.00 0.76 H new ATOM 0 HG22 THR A 31 6.166 25.401 -1.330 1.00 0.76 H new ATOM 0 HG23 THR A 31 6.579 25.168 -3.046 1.00 0.76 H new ATOM 710 N VAL A 32 4.584 22.757 0.128 1.00 0.50 N ATOM 711 CA VAL A 32 4.976 22.666 1.510 1.00 0.50 C ATOM 712 C VAL A 32 5.322 21.216 1.879 1.00 0.47 C ATOM 713 O VAL A 32 6.077 20.973 2.820 1.00 0.48 O ATOM 714 CB VAL A 32 3.881 23.246 2.428 1.00 0.57 C ATOM 715 CG1 VAL A 32 2.644 22.376 2.443 1.00 0.60 C ATOM 716 CG2 VAL A 32 4.409 23.466 3.828 1.00 0.85 C ATOM 0 H VAL A 32 3.586 22.636 -0.043 1.00 0.50 H new ATOM 0 HA VAL A 32 5.874 23.265 1.658 1.00 0.50 H new ATOM 0 HB VAL A 32 3.591 24.214 2.019 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.896 22.818 3.101 1.00 0.60 H new ATOM 0 HG12 VAL A 32 2.240 22.300 1.433 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.903 21.381 2.805 1.00 0.60 H new ATOM 0 HG21 VAL A 32 3.617 23.876 4.455 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.746 22.516 4.243 1.00 0.85 H new ATOM 0 HG23 VAL A 32 5.245 24.165 3.796 1.00 0.85 H new ATOM 720 N LEU A 33 4.769 20.253 1.127 1.00 0.48 N ATOM 721 CA LEU A 33 5.167 18.853 1.240 1.00 0.49 C ATOM 722 C LEU A 33 6.681 18.695 1.065 1.00 0.50 C ATOM 723 O LEU A 33 7.347 18.095 1.908 1.00 0.54 O ATOM 724 CB LEU A 33 4.446 18.010 0.176 1.00 0.53 C ATOM 725 CG LEU A 33 3.135 17.324 0.598 1.00 0.58 C ATOM 726 CD1 LEU A 33 3.379 16.383 1.756 1.00 0.98 C ATOM 727 CD2 LEU A 33 2.047 18.325 0.952 1.00 0.74 C ATOM 0 H LEU A 33 4.042 20.425 0.433 1.00 0.48 H new ATOM 0 HA LEU A 33 4.889 18.507 2.236 1.00 0.49 H new ATOM 0 HB2 LEU A 33 4.232 18.653 -0.678 1.00 0.53 H new ATOM 0 HB3 LEU A 33 5.135 17.240 -0.170 1.00 0.53 H new ATOM 0 HG LEU A 33 2.782 16.753 -0.261 1.00 0.58 H new ATOM 0 HD11 LEU A 33 2.441 15.906 2.041 1.00 0.98 H new ATOM 0 HD12 LEU A 33 4.098 15.620 1.459 1.00 0.98 H new ATOM 0 HD13 LEU A 33 3.774 16.944 2.603 1.00 0.98 H new ATOM 0 HD21 LEU A 33 1.142 17.791 1.243 1.00 0.74 H new ATOM 0 HD22 LEU A 33 2.382 18.949 1.780 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.835 18.953 0.087 1.00 0.74 H new ATOM 739 N LYS A 34 7.218 19.242 -0.025 1.00 0.51 N ATOM 740 CA LYS A 34 8.648 19.123 -0.319 1.00 0.56 C ATOM 741 C LYS A 34 9.494 19.785 0.769 1.00 0.53 C ATOM 742 O LYS A 34 10.620 19.365 1.031 1.00 0.59 O ATOM 743 CB LYS A 34 8.979 19.720 -1.694 1.00 0.65 C ATOM 744 CG LYS A 34 8.437 21.123 -1.906 1.00 0.93 C ATOM 745 CD LYS A 34 8.864 21.709 -3.247 1.00 0.89 C ATOM 746 CE LYS A 34 10.358 21.977 -3.288 1.00 1.70 C ATOM 747 NZ LYS A 34 10.767 22.703 -4.521 1.00 2.41 N ATOM 0 H LYS A 34 6.688 19.770 -0.718 1.00 0.51 H new ATOM 0 HA LYS A 34 8.892 18.061 -0.339 1.00 0.56 H new ATOM 0 HB2 LYS A 34 10.062 19.737 -1.820 1.00 0.65 H new ATOM 0 HB3 LYS A 34 8.578 19.066 -2.468 1.00 0.65 H new ATOM 0 HG2 LYS A 34 7.349 21.102 -1.851 1.00 0.93 H new ATOM 0 HG3 LYS A 34 8.785 21.771 -1.101 1.00 0.93 H new ATOM 0 HD2 LYS A 34 8.595 21.021 -4.048 1.00 0.89 H new ATOM 0 HD3 LYS A 34 8.322 22.637 -3.429 1.00 0.89 H new ATOM 0 HE2 LYS A 34 10.644 22.561 -2.413 1.00 1.70 H new ATOM 0 HE3 LYS A 34 10.896 21.031 -3.230 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 11.794 22.864 -4.505 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 10.518 22.136 -5.356 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 10.274 23.618 -4.565 1.00 2.41 H new ATOM 761 N GLU A 35 8.935 20.811 1.398 1.00 0.47 N ATOM 762 CA GLU A 35 9.581 21.481 2.521 1.00 0.47 C ATOM 763 C GLU A 35 9.759 20.511 3.687 1.00 0.46 C ATOM 764 O GLU A 35 10.811 20.480 4.326 1.00 0.57 O ATOM 765 CB GLU A 35 8.748 22.683 2.961 1.00 0.47 C ATOM 766 CG GLU A 35 8.609 23.752 1.890 1.00 0.61 C ATOM 767 CD GLU A 35 9.876 24.553 1.704 1.00 1.26 C ATOM 768 OE1 GLU A 35 10.745 24.137 0.910 1.00 1.96 O ATOM 769 OE2 GLU A 35 10.016 25.605 2.360 1.00 1.47 O ATOM 0 H GLU A 35 8.027 21.201 1.147 1.00 0.47 H new ATOM 0 HA GLU A 35 10.564 21.828 2.203 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.755 22.340 3.251 1.00 0.47 H new ATOM 0 HB3 GLU A 35 9.203 23.125 3.847 1.00 0.47 H new ATOM 0 HG2 GLU A 35 8.338 23.282 0.945 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.794 24.425 2.156 1.00 0.61 H new ATOM 776 N VAL A 36 8.737 19.709 3.940 1.00 0.41 N ATOM 777 CA VAL A 36 8.791 18.704 4.995 1.00 0.42 C ATOM 778 C VAL A 36 9.784 17.603 4.623 1.00 0.50 C ATOM 779 O VAL A 36 10.662 17.237 5.412 1.00 0.62 O ATOM 780 CB VAL A 36 7.395 18.086 5.235 1.00 0.43 C ATOM 781 CG1 VAL A 36 7.442 17.037 6.330 1.00 0.98 C ATOM 782 CG2 VAL A 36 6.383 19.169 5.578 1.00 0.74 C ATOM 0 H VAL A 36 7.855 19.733 3.428 1.00 0.41 H new ATOM 0 HA VAL A 36 9.120 19.191 5.913 1.00 0.42 H new ATOM 0 HB VAL A 36 7.082 17.597 4.313 1.00 0.43 H new ATOM 0 HG11 VAL A 36 6.446 16.620 6.477 1.00 0.98 H new ATOM 0 HG12 VAL A 36 8.130 16.242 6.043 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.784 17.495 7.258 1.00 0.98 H new ATOM 0 HG21 VAL A 36 5.406 18.715 5.744 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.699 19.689 6.482 1.00 0.74 H new ATOM 0 HG23 VAL A 36 6.318 19.880 4.754 1.00 0.74 H new ATOM 786 N PHE A 37 9.634 17.095 3.409 1.00 0.49 N ATOM 787 CA PHE A 37 10.506 16.070 2.849 1.00 0.54 C ATOM 788 C PHE A 37 11.981 16.439 2.852 1.00 0.59 C ATOM 789 O PHE A 37 12.810 15.647 3.298 1.00 0.66 O ATOM 790 CB PHE A 37 10.049 15.757 1.435 1.00 0.57 C ATOM 791 CG PHE A 37 8.921 14.771 1.457 1.00 0.57 C ATOM 792 CD1 PHE A 37 9.144 13.434 1.731 1.00 0.66 C ATOM 793 CD2 PHE A 37 7.635 15.182 1.148 1.00 0.74 C ATOM 794 CE1 PHE A 37 8.104 12.528 1.701 1.00 0.68 C ATOM 795 CE2 PHE A 37 6.593 14.282 1.123 1.00 0.83 C ATOM 796 CZ PHE A 37 6.841 12.941 1.599 1.00 0.71 C ATOM 0 H PHE A 37 8.891 17.387 2.774 1.00 0.49 H new ATOM 0 HA PHE A 37 10.422 15.195 3.494 1.00 0.54 H new ATOM 0 HB2 PHE A 37 9.730 16.673 0.938 1.00 0.57 H new ATOM 0 HB3 PHE A 37 10.881 15.354 0.858 1.00 0.57 H new ATOM 0 HD1 PHE A 37 10.141 13.096 1.971 1.00 0.66 H new ATOM 0 HD2 PHE A 37 7.447 16.222 0.924 1.00 0.74 H new ATOM 0 HE1 PHE A 37 8.316 11.471 1.761 1.00 0.68 H new ATOM 0 HE2 PHE A 37 5.618 14.571 0.758 1.00 0.83 H new ATOM 0 HZ PHE A 37 6.023 12.289 1.866 1.00 0.71 H new ATOM 806 N LYS A 38 12.326 17.625 2.370 1.00 0.60 N ATOM 807 CA LYS A 38 13.735 17.976 2.241 1.00 0.69 C ATOM 808 C LYS A 38 14.334 18.356 3.586 1.00 0.78 C ATOM 809 O LYS A 38 15.539 18.587 3.701 1.00 1.02 O ATOM 810 CB LYS A 38 13.946 19.086 1.211 1.00 0.75 C ATOM 811 CG LYS A 38 13.602 18.672 -0.199 1.00 0.76 C ATOM 812 CD LYS A 38 14.079 19.704 -1.194 1.00 0.91 C ATOM 813 CE LYS A 38 13.678 19.324 -2.596 1.00 1.37 C ATOM 814 NZ LYS A 38 14.257 20.240 -3.612 1.00 2.18 N ATOM 0 H LYS A 38 11.669 18.345 2.068 1.00 0.60 H new ATOM 0 HA LYS A 38 14.258 17.091 1.880 1.00 0.69 H new ATOM 0 HB2 LYS A 38 13.338 19.947 1.487 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.987 19.408 1.243 1.00 0.75 H new ATOM 0 HG2 LYS A 38 14.059 17.708 -0.421 1.00 0.76 H new ATOM 0 HG3 LYS A 38 12.524 18.542 -0.292 1.00 0.76 H new ATOM 0 HD2 LYS A 38 13.660 20.678 -0.943 1.00 0.91 H new ATOM 0 HD3 LYS A 38 15.163 19.799 -1.134 1.00 0.91 H new ATOM 0 HE2 LYS A 38 14.003 18.304 -2.801 1.00 1.37 H new ATOM 0 HE3 LYS A 38 12.591 19.335 -2.677 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 13.955 19.941 -4.561 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 13.927 21.210 -3.433 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 15.295 20.211 -3.554 1.00 2.18 H new ATOM 828 N ALA A 39 13.486 18.418 4.601 1.00 0.71 N ATOM 829 CA ALA A 39 13.939 18.553 5.971 1.00 0.87 C ATOM 830 C ALA A 39 14.144 17.171 6.579 1.00 0.82 C ATOM 831 O ALA A 39 15.282 16.698 6.664 1.00 1.56 O ATOM 832 CB ALA A 39 12.944 19.364 6.790 1.00 1.06 C ATOM 0 H ALA A 39 12.472 18.376 4.497 1.00 0.71 H new ATOM 0 HA ALA A 39 14.889 19.087 5.981 1.00 0.87 H new ATOM 0 HB1 ALA A 39 13.304 19.453 7.815 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.839 20.358 6.355 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.976 18.862 6.787 1.00 1.06 H new ATOM 838 N GLY A 40 13.049 16.502 6.942 1.00 0.78 N ATOM 839 CA GLY A 40 13.138 15.212 7.616 1.00 1.03 C ATOM 840 C GLY A 40 14.110 15.222 8.787 1.00 1.29 C ATOM 841 O GLY A 40 14.361 16.275 9.381 1.00 1.54 O ATOM 0 H GLY A 40 12.097 16.832 6.781 1.00 0.78 H new ATOM 0 HA2 GLY A 40 12.149 14.926 7.974 1.00 1.03 H new ATOM 0 HA3 GLY A 40 13.450 14.453 6.898 1.00 1.03 H new ATOM 845 N PRO A 41 14.666 14.061 9.167 1.00 1.37 N ATOM 846 CA PRO A 41 14.289 12.757 8.646 1.00 1.22 C ATOM 847 C PRO A 41 13.327 12.029 9.576 1.00 1.09 C ATOM 848 O PRO A 41 13.300 12.280 10.781 1.00 1.18 O ATOM 849 CB PRO A 41 15.631 12.038 8.591 1.00 1.37 C ATOM 850 CG PRO A 41 16.437 12.626 9.714 1.00 1.60 C ATOM 851 CD PRO A 41 15.769 13.924 10.125 1.00 1.68 C ATOM 0 HA PRO A 41 13.768 12.811 7.690 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.507 10.962 8.716 1.00 1.37 H new ATOM 0 HB3 PRO A 41 16.122 12.193 7.630 1.00 1.37 H new ATOM 0 HG2 PRO A 41 16.482 11.935 10.556 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.463 12.807 9.395 1.00 1.60 H new ATOM 0 HD2 PRO A 41 15.406 13.881 11.152 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.458 14.766 10.066 1.00 1.68 H new ATOM 859 N TYR A 42 12.534 11.128 9.018 1.00 0.99 N ATOM 860 CA TYR A 42 11.512 10.440 9.791 1.00 0.92 C ATOM 861 C TYR A 42 11.936 9.016 10.093 1.00 0.97 C ATOM 862 O TYR A 42 12.272 8.245 9.191 1.00 1.08 O ATOM 863 CB TYR A 42 10.175 10.416 9.040 1.00 0.85 C ATOM 864 CG TYR A 42 9.969 11.583 8.109 1.00 0.87 C ATOM 865 CD1 TYR A 42 9.682 12.841 8.618 1.00 0.90 C ATOM 866 CD2 TYR A 42 10.058 11.433 6.731 1.00 0.99 C ATOM 867 CE1 TYR A 42 9.488 13.919 7.784 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.863 12.510 5.887 1.00 1.10 C ATOM 869 CZ TYR A 42 9.600 13.710 6.369 1.00 1.12 C ATOM 870 OH TYR A 42 9.386 14.825 5.597 1.00 1.28 O ATOM 0 H TYR A 42 12.578 10.857 8.036 1.00 0.99 H new ATOM 0 HA TYR A 42 11.386 10.988 10.725 1.00 0.92 H new ATOM 0 HB2 TYR A 42 10.110 9.492 8.466 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.363 10.398 9.767 1.00 0.85 H new ATOM 0 HD1 TYR A 42 9.609 12.977 9.687 1.00 0.90 H new ATOM 0 HD2 TYR A 42 10.282 10.462 6.314 1.00 0.99 H new ATOM 0 HE1 TYR A 42 9.258 14.895 8.184 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.927 12.368 4.818 1.00 1.10 H new ATOM 0 HH TYR A 42 10.095 15.481 5.766 1.00 1.28 H new ATOM 880 N LYS A 43 11.935 8.686 11.369 1.00 0.96 N ATOM 881 CA LYS A 43 12.137 7.316 11.816 1.00 1.01 C ATOM 882 C LYS A 43 10.787 6.628 11.900 1.00 0.98 C ATOM 883 O LYS A 43 10.691 5.408 11.990 1.00 1.06 O ATOM 884 CB LYS A 43 12.834 7.287 13.182 1.00 1.10 C ATOM 885 CG LYS A 43 14.350 7.439 13.107 1.00 1.72 C ATOM 886 CD LYS A 43 14.765 8.789 12.545 1.00 2.26 C ATOM 887 CE LYS A 43 16.274 8.885 12.377 1.00 2.94 C ATOM 888 NZ LYS A 43 16.798 7.860 11.435 1.00 3.51 N ATOM 0 H LYS A 43 11.795 9.355 12.126 1.00 0.96 H new ATOM 0 HA LYS A 43 12.776 6.793 11.105 1.00 1.01 H new ATOM 0 HB2 LYS A 43 12.429 8.087 13.802 1.00 1.10 H new ATOM 0 HB3 LYS A 43 12.597 6.346 13.680 1.00 1.10 H new ATOM 0 HG2 LYS A 43 14.775 7.316 14.103 1.00 1.72 H new ATOM 0 HG3 LYS A 43 14.763 6.646 12.484 1.00 1.72 H new ATOM 0 HD2 LYS A 43 14.280 8.947 11.582 1.00 2.26 H new ATOM 0 HD3 LYS A 43 14.421 9.582 13.209 1.00 2.26 H new ATOM 0 HE2 LYS A 43 16.535 9.879 12.013 1.00 2.94 H new ATOM 0 HE3 LYS A 43 16.755 8.764 13.348 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 17.760 8.120 11.139 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 16.819 6.933 11.907 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 16.181 7.809 10.599 1.00 3.51 H new ATOM 902 N ASN A 44 9.747 7.439 11.843 1.00 0.88 N ATOM 903 CA ASN A 44 8.379 6.969 11.926 1.00 0.85 C ATOM 904 C ASN A 44 7.500 7.894 11.100 1.00 0.80 C ATOM 905 O ASN A 44 7.803 9.080 10.959 1.00 0.85 O ATOM 906 CB ASN A 44 7.928 6.965 13.390 1.00 0.89 C ATOM 907 CG ASN A 44 8.093 8.324 14.044 1.00 0.95 C ATOM 908 OD1 ASN A 44 7.175 9.138 14.044 1.00 1.52 O ATOM 909 ND2 ASN A 44 9.270 8.581 14.589 1.00 1.10 N ATOM 0 H ASN A 44 9.830 8.450 11.737 1.00 0.88 H new ATOM 0 HA ASN A 44 8.301 5.953 11.538 1.00 0.85 H new ATOM 0 HB2 ASN A 44 6.883 6.661 13.446 1.00 0.89 H new ATOM 0 HB3 ASN A 44 8.505 6.225 13.944 1.00 0.89 H new ATOM 0 HD21 ASN A 44 9.441 9.484 15.031 1.00 1.10 H new ATOM 0 HD22 ASN A 44 10.007 7.876 14.567 1.00 1.10 H new ATOM 916 N THR A 45 6.422 7.356 10.546 1.00 0.77 N ATOM 917 CA THR A 45 5.565 8.128 9.656 1.00 0.76 C ATOM 918 C THR A 45 4.791 9.196 10.434 1.00 0.74 C ATOM 919 O THR A 45 4.261 10.146 9.853 1.00 0.92 O ATOM 920 CB THR A 45 4.586 7.220 8.884 1.00 0.84 C ATOM 921 OG1 THR A 45 4.011 7.944 7.794 1.00 1.05 O ATOM 922 CG2 THR A 45 3.483 6.694 9.792 1.00 1.18 C ATOM 0 H THR A 45 6.121 6.393 10.696 1.00 0.77 H new ATOM 0 HA THR A 45 6.212 8.622 8.931 1.00 0.76 H new ATOM 0 HB THR A 45 5.146 6.366 8.503 1.00 0.84 H new ATOM 0 HG1 THR A 45 3.320 7.397 7.366 1.00 1.05 H new ATOM 0 HG21 THR A 45 2.811 6.058 9.217 1.00 1.18 H new ATOM 0 HG22 THR A 45 3.925 6.115 10.603 1.00 1.18 H new ATOM 0 HG23 THR A 45 2.923 7.532 10.207 1.00 1.18 H new ATOM 930 N GLU A 46 4.749 9.038 11.754 1.00 0.72 N ATOM 931 CA GLU A 46 4.142 10.023 12.639 1.00 0.71 C ATOM 932 C GLU A 46 4.854 11.369 12.501 1.00 0.66 C ATOM 933 O GLU A 46 4.220 12.424 12.542 1.00 0.65 O ATOM 934 CB GLU A 46 4.218 9.529 14.084 1.00 0.79 C ATOM 935 CG GLU A 46 3.589 10.465 15.100 1.00 1.41 C ATOM 936 CD GLU A 46 3.864 10.031 16.522 1.00 1.82 C ATOM 937 OE1 GLU A 46 3.133 9.154 17.030 1.00 2.12 O ATOM 938 OE2 GLU A 46 4.806 10.567 17.143 1.00 2.24 O ATOM 0 H GLU A 46 5.134 8.226 12.237 1.00 0.72 H new ATOM 0 HA GLU A 46 3.096 10.156 12.362 1.00 0.71 H new ATOM 0 HB2 GLU A 46 3.727 8.558 14.150 1.00 0.79 H new ATOM 0 HB3 GLU A 46 5.264 9.376 14.348 1.00 0.79 H new ATOM 0 HG2 GLU A 46 3.973 11.474 14.949 1.00 1.41 H new ATOM 0 HG3 GLU A 46 2.512 10.506 14.936 1.00 1.41 H new ATOM 945 N GLU A 47 6.172 11.321 12.315 1.00 0.67 N ATOM 946 CA GLU A 47 6.964 12.530 12.112 1.00 0.67 C ATOM 947 C GLU A 47 6.512 13.277 10.864 1.00 0.60 C ATOM 948 O GLU A 47 6.450 14.507 10.855 1.00 0.58 O ATOM 949 CB GLU A 47 8.453 12.193 12.011 1.00 0.73 C ATOM 950 CG GLU A 47 9.100 11.913 13.352 1.00 0.98 C ATOM 951 CD GLU A 47 10.598 11.727 13.257 1.00 1.64 C ATOM 952 OE1 GLU A 47 11.333 12.728 13.387 1.00 2.03 O ATOM 953 OE2 GLU A 47 11.053 10.577 13.078 1.00 2.26 O ATOM 0 H GLU A 47 6.713 10.456 12.301 1.00 0.67 H new ATOM 0 HA GLU A 47 6.809 13.176 12.976 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.578 11.322 11.367 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.974 13.022 11.531 1.00 0.73 H new ATOM 0 HG2 GLU A 47 8.884 12.736 14.033 1.00 0.98 H new ATOM 0 HG3 GLU A 47 8.655 11.017 13.784 1.00 0.98 H new ATOM 960 N SER A 48 6.182 12.529 9.821 1.00 0.58 N ATOM 961 CA SER A 48 5.694 13.118 8.583 1.00 0.54 C ATOM 962 C SER A 48 4.350 13.805 8.822 1.00 0.51 C ATOM 963 O SER A 48 4.109 14.906 8.324 1.00 0.49 O ATOM 964 CB SER A 48 5.570 12.039 7.499 1.00 0.57 C ATOM 965 OG SER A 48 4.973 12.550 6.318 1.00 1.19 O ATOM 0 H SER A 48 6.244 11.511 9.808 1.00 0.58 H new ATOM 0 HA SER A 48 6.406 13.868 8.240 1.00 0.54 H new ATOM 0 HB2 SER A 48 6.558 11.642 7.265 1.00 0.57 H new ATOM 0 HB3 SER A 48 4.974 11.209 7.878 1.00 0.57 H new ATOM 0 HG SER A 48 4.911 11.837 5.648 1.00 1.19 H new ATOM 971 N ILE A 49 3.490 13.156 9.597 1.00 0.51 N ATOM 972 CA ILE A 49 2.178 13.701 9.918 1.00 0.49 C ATOM 973 C ILE A 49 2.312 14.957 10.772 1.00 0.49 C ATOM 974 O ILE A 49 1.705 15.986 10.483 1.00 0.47 O ATOM 975 CB ILE A 49 1.311 12.666 10.663 1.00 0.51 C ATOM 976 CG1 ILE A 49 1.130 11.411 9.807 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.037 13.263 11.037 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.397 10.300 10.519 1.00 0.55 C ATOM 0 H ILE A 49 3.680 12.246 10.017 1.00 0.51 H new ATOM 0 HA ILE A 49 1.690 13.955 8.977 1.00 0.49 H new ATOM 0 HB ILE A 49 1.822 12.385 11.584 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.584 11.674 8.901 1.00 0.52 H new ATOM 0 HG13 ILE A 49 2.110 11.049 9.495 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.633 12.516 11.562 1.00 0.50 H new ATOM 0 HG22 ILE A 49 0.115 14.127 11.685 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.560 13.575 10.133 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.304 9.441 9.854 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.953 10.010 11.411 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.596 10.645 10.807 1.00 0.55 H new ATOM 985 N ALA A 50 3.124 14.857 11.811 1.00 0.52 N ATOM 986 CA ALA A 50 3.368 15.961 12.729 1.00 0.53 C ATOM 987 C ALA A 50 3.911 17.186 12.011 1.00 0.50 C ATOM 988 O ALA A 50 3.418 18.300 12.207 1.00 0.50 O ATOM 989 CB ALA A 50 4.348 15.523 13.788 1.00 0.57 C ATOM 0 H ALA A 50 3.635 14.006 12.044 1.00 0.52 H new ATOM 0 HA ALA A 50 2.416 16.236 13.183 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.532 16.348 14.477 1.00 0.57 H new ATOM 0 HB2 ALA A 50 3.936 14.677 14.338 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.285 15.228 13.317 1.00 0.57 H new ATOM 995 N ALA A 51 4.937 16.981 11.195 1.00 0.49 N ATOM 996 CA ALA A 51 5.558 18.072 10.459 1.00 0.48 C ATOM 997 C ALA A 51 4.545 18.752 9.545 1.00 0.45 C ATOM 998 O ALA A 51 4.530 19.976 9.409 1.00 0.47 O ATOM 999 CB ALA A 51 6.735 17.554 9.654 1.00 0.50 C ATOM 0 H ALA A 51 5.357 16.067 11.027 1.00 0.49 H new ATOM 0 HA ALA A 51 5.919 18.811 11.174 1.00 0.48 H new ATOM 0 HB1 ALA A 51 7.193 18.378 9.107 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.470 17.113 10.327 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.389 16.798 8.949 1.00 0.50 H new ATOM 1005 N LEU A 52 3.681 17.945 8.944 1.00 0.42 N ATOM 1006 CA LEU A 52 2.648 18.457 8.056 1.00 0.40 C ATOM 1007 C LEU A 52 1.549 19.168 8.832 1.00 0.39 C ATOM 1008 O LEU A 52 0.979 20.136 8.340 1.00 0.40 O ATOM 1009 CB LEU A 52 2.059 17.335 7.202 1.00 0.40 C ATOM 1010 CG LEU A 52 2.863 16.992 5.948 1.00 0.41 C ATOM 1011 CD1 LEU A 52 2.346 15.710 5.313 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.791 18.140 4.956 1.00 0.41 C ATOM 0 H LEU A 52 3.676 16.931 9.056 1.00 0.42 H new ATOM 0 HA LEU A 52 3.117 19.186 7.395 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.971 16.439 7.816 1.00 0.40 H new ATOM 0 HB3 LEU A 52 1.050 17.617 6.903 1.00 0.40 H new ATOM 0 HG LEU A 52 3.903 16.835 6.233 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.932 15.483 4.422 1.00 0.45 H new ATOM 0 HD12 LEU A 52 2.436 14.889 6.025 1.00 0.45 H new ATOM 0 HD13 LEU A 52 1.299 15.837 5.037 1.00 0.45 H new ATOM 0 HD21 LEU A 52 3.366 17.888 4.065 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.752 18.317 4.679 1.00 0.41 H new ATOM 0 HD23 LEU A 52 3.203 19.041 5.411 1.00 0.41 H new ATOM 1024 N LYS A 53 1.255 18.702 10.038 1.00 0.39 N ATOM 1025 CA LYS A 53 0.285 19.381 10.890 1.00 0.39 C ATOM 1026 C LYS A 53 0.801 20.753 11.313 1.00 0.40 C ATOM 1027 O LYS A 53 0.023 21.658 11.616 1.00 0.45 O ATOM 1028 CB LYS A 53 -0.042 18.535 12.120 1.00 0.41 C ATOM 1029 CG LYS A 53 -0.925 17.336 11.812 1.00 0.42 C ATOM 1030 CD LYS A 53 -1.265 16.557 13.072 1.00 0.52 C ATOM 1031 CE LYS A 53 -2.315 15.489 12.805 1.00 0.52 C ATOM 1032 NZ LYS A 53 -3.641 16.076 12.472 1.00 1.22 N ATOM 0 H LYS A 53 1.669 17.864 10.447 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.629 19.520 10.313 1.00 0.39 H new ATOM 0 HB2 LYS A 53 0.888 18.186 12.569 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.539 19.162 12.861 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.844 17.673 11.332 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.417 16.681 11.104 1.00 0.42 H new ATOM 0 HD2 LYS A 53 -0.362 16.090 13.466 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.629 17.243 13.837 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -1.984 14.854 11.983 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -2.412 14.850 13.683 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -4.391 15.396 12.709 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -3.781 16.950 13.018 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -3.679 16.293 11.456 1.00 1.22 H new ATOM 1046 N LYS A 54 2.123 20.888 11.346 1.00 0.39 N ATOM 1047 CA LYS A 54 2.763 22.160 11.661 1.00 0.41 C ATOM 1048 C LYS A 54 2.718 23.096 10.454 1.00 0.41 C ATOM 1049 O LYS A 54 2.321 24.258 10.564 1.00 0.47 O ATOM 1050 CB LYS A 54 4.215 21.920 12.087 1.00 0.44 C ATOM 1051 CG LYS A 54 4.986 23.193 12.404 1.00 1.24 C ATOM 1052 CD LYS A 54 6.416 22.893 12.829 1.00 1.63 C ATOM 1053 CE LYS A 54 6.468 22.124 14.140 1.00 2.24 C ATOM 1054 NZ LYS A 54 5.859 22.887 15.261 1.00 3.05 N ATOM 0 H LYS A 54 2.775 20.127 11.157 1.00 0.39 H new ATOM 0 HA LYS A 54 2.222 22.630 12.482 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.223 21.274 12.965 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.732 21.383 11.292 1.00 0.44 H new ATOM 0 HG2 LYS A 54 4.995 23.841 11.528 1.00 1.24 H new ATOM 0 HG3 LYS A 54 4.477 23.739 13.199 1.00 1.24 H new ATOM 0 HD2 LYS A 54 6.913 22.316 12.049 1.00 1.63 H new ATOM 0 HD3 LYS A 54 6.967 23.827 12.934 1.00 1.63 H new ATOM 0 HE2 LYS A 54 5.946 21.174 14.023 1.00 2.24 H new ATOM 0 HE3 LYS A 54 7.505 21.891 14.382 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 6.107 22.435 16.164 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 6.218 23.863 15.252 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 4.825 22.898 15.152 1.00 3.05 H new ATOM 1068 N LYS A 55 3.139 22.577 9.312 1.00 0.42 N ATOM 1069 CA LYS A 55 3.131 23.324 8.060 1.00 0.48 C ATOM 1070 C LYS A 55 1.713 23.660 7.604 1.00 0.47 C ATOM 1071 O LYS A 55 1.366 24.835 7.470 1.00 0.58 O ATOM 1072 CB LYS A 55 3.839 22.526 6.968 1.00 0.55 C ATOM 1073 CG LYS A 55 5.340 22.386 7.151 1.00 1.23 C ATOM 1074 CD LYS A 55 6.044 23.730 7.081 1.00 1.16 C ATOM 1075 CE LYS A 55 7.411 23.601 6.431 1.00 1.03 C ATOM 1076 NZ LYS A 55 8.219 24.836 6.585 1.00 1.48 N ATOM 0 H LYS A 55 3.496 21.626 9.224 1.00 0.42 H new ATOM 0 HA LYS A 55 3.659 24.261 8.238 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.399 21.530 6.922 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.648 23.003 6.007 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.547 21.917 8.113 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.740 21.726 6.382 1.00 1.23 H new ATOM 0 HD2 LYS A 55 5.434 24.434 6.515 1.00 1.16 H new ATOM 0 HD3 LYS A 55 6.153 24.139 8.085 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.945 22.761 6.874 1.00 1.03 H new ATOM 0 HE3 LYS A 55 7.289 23.378 5.371 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 9.144 24.705 6.127 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 7.722 25.634 6.140 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 8.358 25.036 7.596 1.00 1.48 H new ATOM 1090 N SER A 56 0.894 22.655 7.378 1.00 0.39 N ATOM 1091 CA SER A 56 -0.423 22.891 6.817 1.00 0.39 C ATOM 1092 C SER A 56 -1.468 22.025 7.507 1.00 0.38 C ATOM 1093 O SER A 56 -1.584 20.835 7.214 1.00 0.38 O ATOM 1094 CB SER A 56 -0.410 22.628 5.308 1.00 0.40 C ATOM 1095 OG SER A 56 -1.615 23.064 4.695 1.00 1.16 O ATOM 0 H SER A 56 1.111 21.677 7.571 1.00 0.39 H new ATOM 0 HA SER A 56 -0.689 23.935 6.985 1.00 0.39 H new ATOM 0 HB2 SER A 56 0.437 23.143 4.855 1.00 0.40 H new ATOM 0 HB3 SER A 56 -0.271 21.563 5.124 1.00 0.40 H new ATOM 0 HG SER A 56 -1.531 22.992 3.721 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.208 22.620 8.464 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.150 21.906 9.334 1.00 0.43 C ATOM 1103 C PRO A 57 -3.952 20.839 8.601 1.00 0.44 C ATOM 1104 O PRO A 57 -3.916 19.653 8.952 1.00 0.45 O ATOM 1105 CB PRO A 57 -4.076 23.027 9.794 1.00 0.48 C ATOM 1106 CG PRO A 57 -3.196 24.222 9.872 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.173 24.062 8.776 1.00 0.45 C ATOM 0 HA PRO A 57 -2.641 21.367 10.133 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.894 23.181 9.090 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.525 22.800 10.761 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.771 25.138 9.738 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.714 24.288 10.848 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.424 24.665 7.904 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.182 24.375 9.106 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.665 21.294 7.571 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.506 20.445 6.742 1.00 0.51 C ATOM 1117 C GLU A 58 -4.719 19.292 6.124 1.00 0.47 C ATOM 1118 O GLU A 58 -5.247 18.187 5.993 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.148 21.279 5.630 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.174 20.531 4.796 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.494 20.355 5.513 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -9.245 21.344 5.625 1.00 2.45 O ATOM 1123 OE2 GLU A 58 -8.798 19.230 5.954 1.00 2.42 O ATOM 0 H GLU A 58 -4.672 22.274 7.289 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.277 20.018 7.383 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -6.627 22.150 6.077 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -5.363 21.649 4.971 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -7.341 21.070 3.864 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -6.776 19.552 4.531 1.00 1.44 H new ATOM 1130 N LEU A 59 -3.461 19.521 5.759 1.00 0.46 N ATOM 1131 CA LEU A 59 -2.716 18.485 5.064 1.00 0.48 C ATOM 1132 C LEU A 59 -2.290 17.425 6.058 1.00 0.43 C ATOM 1133 O LEU A 59 -2.340 16.231 5.785 1.00 0.47 O ATOM 1134 CB LEU A 59 -1.486 19.038 4.347 1.00 0.56 C ATOM 1135 CG LEU A 59 -1.762 20.030 3.222 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -0.465 20.370 2.511 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -2.781 19.469 2.241 1.00 1.42 C ATOM 0 H LEU A 59 -2.951 20.388 5.928 1.00 0.46 H new ATOM 0 HA LEU A 59 -3.371 18.057 4.305 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -0.847 19.523 5.085 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -0.921 18.201 3.937 1.00 0.56 H new ATOM 0 HG LEU A 59 -2.181 20.940 3.652 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -0.665 21.079 1.708 1.00 1.15 H new ATOM 0 HD12 LEU A 59 0.233 20.814 3.221 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -0.030 19.462 2.093 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -2.961 20.195 1.448 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -2.398 18.545 1.807 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -3.715 19.264 2.764 1.00 1.42 H new ATOM 1149 N GLY A 60 -1.859 17.905 7.225 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.475 17.030 8.308 1.00 0.36 C ATOM 1151 C GLY A 60 -2.629 16.173 8.773 1.00 0.35 C ATOM 1152 O GLY A 60 -2.440 15.029 9.168 1.00 0.36 O ATOM 0 H GLY A 60 -1.771 18.899 7.435 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -0.654 16.390 7.985 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.105 17.625 9.143 1.00 0.36 H new ATOM 1156 N ALA A 61 -3.825 16.736 8.740 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.031 15.985 9.041 1.00 0.42 C ATOM 1158 C ALA A 61 -5.353 15.016 7.905 1.00 0.44 C ATOM 1159 O ALA A 61 -5.850 13.912 8.136 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.192 16.933 9.287 1.00 0.45 C ATOM 0 H ALA A 61 -3.986 17.716 8.506 1.00 0.37 H new ATOM 0 HA ALA A 61 -4.865 15.403 9.947 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.090 16.358 9.512 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -5.958 17.584 10.129 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.362 17.539 8.397 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.055 15.436 6.681 1.00 0.45 N ATOM 1167 CA LYS A 62 -5.273 14.618 5.503 1.00 0.50 C ATOM 1168 C LYS A 62 -4.342 13.406 5.505 1.00 0.54 C ATOM 1169 O LYS A 62 -4.776 12.280 5.278 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.052 15.467 4.249 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.016 15.162 3.119 1.00 0.90 C ATOM 1172 CD LYS A 62 -7.462 15.374 3.545 1.00 1.25 C ATOM 1173 CE LYS A 62 -7.714 16.799 4.015 1.00 1.51 C ATOM 1174 NZ LYS A 62 -9.100 16.983 4.515 1.00 2.17 N ATOM 0 H LYS A 62 -4.656 16.353 6.482 1.00 0.45 H new ATOM 0 HA LYS A 62 -6.298 14.249 5.510 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -5.142 16.520 4.515 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -4.033 15.314 3.894 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -5.790 15.800 2.265 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -5.880 14.131 2.792 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -8.123 15.145 2.709 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -7.710 14.678 4.347 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -7.007 17.050 4.806 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -7.531 17.490 3.192 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -9.134 17.807 5.149 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -9.741 17.138 3.711 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -9.397 16.133 5.035 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.061 13.640 5.772 1.00 0.45 N ATOM 1189 CA VAL A 63 -2.094 12.555 5.868 1.00 0.48 C ATOM 1190 C VAL A 63 -2.355 11.719 7.120 1.00 0.46 C ATOM 1191 O VAL A 63 -2.031 10.530 7.173 1.00 0.53 O ATOM 1192 CB VAL A 63 -0.642 13.080 5.875 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -0.385 13.950 7.085 1.00 1.12 C ATOM 1194 CG2 VAL A 63 0.347 11.932 5.825 1.00 1.12 C ATOM 0 H VAL A 63 -2.670 14.570 5.925 1.00 0.45 H new ATOM 0 HA VAL A 63 -2.217 11.928 4.985 1.00 0.48 H new ATOM 0 HB VAL A 63 -0.504 13.691 4.983 1.00 0.48 H new ATOM 0 HG11 VAL A 63 0.645 14.306 7.065 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.064 14.802 7.071 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -0.550 13.369 7.992 1.00 1.12 H new ATOM 0 HG21 VAL A 63 1.363 12.327 5.831 1.00 1.12 H new ATOM 0 HG22 VAL A 63 0.202 11.289 6.693 1.00 1.12 H new ATOM 0 HG23 VAL A 63 0.188 11.354 4.915 1.00 1.12 H new ATOM 1198 N GLU A 64 -2.948 12.355 8.121 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.333 11.677 9.348 1.00 0.42 C ATOM 1200 C GLU A 64 -4.404 10.629 9.078 1.00 0.50 C ATOM 1201 O GLU A 64 -4.236 9.465 9.438 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.839 12.681 10.381 1.00 0.42 C ATOM 1203 CG GLU A 64 -4.368 12.044 11.652 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.821 13.068 12.666 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -5.484 14.048 12.271 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -4.536 12.887 13.871 1.00 1.70 O ATOM 0 H GLU A 64 -3.174 13.350 8.105 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.449 11.177 9.744 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -3.028 13.362 10.638 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.629 13.282 9.932 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -5.202 11.387 11.406 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.591 11.420 12.093 1.00 0.53 H new ATOM 1213 N LYS A 65 -5.497 11.028 8.423 1.00 0.58 N ATOM 1214 CA LYS A 65 -6.578 10.086 8.164 1.00 0.69 C ATOM 1215 C LYS A 65 -6.072 9.011 7.212 1.00 0.71 C ATOM 1216 O LYS A 65 -6.482 7.851 7.267 1.00 0.76 O ATOM 1217 CB LYS A 65 -7.810 10.780 7.567 1.00 0.84 C ATOM 1218 CG LYS A 65 -7.584 11.297 6.156 1.00 1.92 C ATOM 1219 CD LYS A 65 -8.888 11.553 5.422 1.00 2.40 C ATOM 1220 CE LYS A 65 -8.635 11.803 3.946 1.00 3.23 C ATOM 1221 NZ LYS A 65 -9.895 11.926 3.171 1.00 3.96 N ATOM 0 H LYS A 65 -5.652 11.973 8.072 1.00 0.58 H new ATOM 0 HA LYS A 65 -6.885 9.642 9.111 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -8.645 10.080 7.560 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -8.097 11.612 8.210 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -7.006 12.220 6.198 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -6.990 10.574 5.597 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -9.552 10.697 5.542 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -9.394 12.413 5.860 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -8.049 12.715 3.829 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -8.039 10.987 3.539 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -9.704 11.740 2.166 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -10.589 11.237 3.525 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -10.276 12.888 3.279 1.00 3.96 H new ATOM 1235 N LEU A 66 -5.134 9.427 6.360 1.00 0.72 N ATOM 1236 CA LEU A 66 -4.513 8.558 5.371 1.00 0.80 C ATOM 1237 C LEU A 66 -3.555 7.588 6.045 1.00 0.76 C ATOM 1238 O LEU A 66 -2.885 6.794 5.390 1.00 1.07 O ATOM 1239 CB LEU A 66 -3.757 9.398 4.340 1.00 0.84 C ATOM 1240 CG LEU A 66 -4.112 9.117 2.885 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -3.783 7.676 2.522 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -5.585 9.416 2.638 1.00 1.37 C ATOM 0 H LEU A 66 -4.784 10.385 6.340 1.00 0.72 H new ATOM 0 HA LEU A 66 -5.295 7.988 4.868 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -3.945 10.452 4.546 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -2.688 9.233 4.474 1.00 0.84 H new ATOM 0 HG LEU A 66 -3.516 9.769 2.247 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -4.044 7.495 1.479 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -2.717 7.499 2.666 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -4.352 7.001 3.161 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -5.828 9.212 1.595 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -6.197 8.786 3.283 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -5.785 10.464 2.859 1.00 1.37 H new ATOM 1254 N HIS A 67 -3.455 7.696 7.351 1.00 0.52 N ATOM 1255 CA HIS A 67 -2.733 6.723 8.124 1.00 0.55 C ATOM 1256 C HIS A 67 -3.679 5.963 9.019 1.00 0.44 C ATOM 1257 O HIS A 67 -3.662 4.753 9.023 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.616 7.375 8.928 1.00 0.67 C ATOM 1259 CG HIS A 67 -0.371 7.543 8.128 1.00 0.94 C ATOM 1260 ND1 HIS A 67 0.139 8.765 7.764 1.00 1.62 N ATOM 1261 CD2 HIS A 67 0.470 6.618 7.622 1.00 1.85 C ATOM 1262 CE1 HIS A 67 1.245 8.583 7.070 1.00 2.13 C ATOM 1263 NE2 HIS A 67 1.469 7.288 6.968 1.00 2.34 N ATOM 0 H HIS A 67 -3.868 8.452 7.897 1.00 0.52 H new ATOM 0 HA HIS A 67 -2.267 6.016 7.438 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.950 8.349 9.287 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -1.402 6.768 9.807 1.00 0.67 H new ATOM 0 HD1 HIS A 67 -0.272 9.670 7.994 1.00 1.62 H new ATOM 0 HD2 HIS A 67 0.373 5.546 7.715 1.00 1.85 H new ATOM 0 HE1 HIS A 67 1.864 9.364 6.654 1.00 2.13 H new ATOM 1272 N ALA A 68 -4.531 6.679 9.729 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.474 6.060 10.655 1.00 0.36 C ATOM 1274 C ALA A 68 -6.348 5.002 9.970 1.00 0.34 C ATOM 1275 O ALA A 68 -6.527 3.904 10.501 1.00 0.37 O ATOM 1276 CB ALA A 68 -6.336 7.136 11.291 1.00 0.40 C ATOM 0 H ALA A 68 -4.593 7.696 9.685 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.902 5.544 11.426 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -7.041 6.676 11.983 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.702 7.838 11.833 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.885 7.669 10.514 1.00 0.40 H new ATOM 1282 N MET A 69 -6.880 5.326 8.792 1.00 0.33 N ATOM 1283 CA MET A 69 -7.719 4.381 8.047 1.00 0.37 C ATOM 1284 C MET A 69 -6.893 3.191 7.580 1.00 0.37 C ATOM 1285 O MET A 69 -7.288 2.036 7.743 1.00 0.42 O ATOM 1286 CB MET A 69 -8.353 5.050 6.826 1.00 0.46 C ATOM 1287 CG MET A 69 -9.232 6.246 7.148 1.00 0.44 C ATOM 1288 SD MET A 69 -9.985 6.955 5.669 1.00 0.72 S ATOM 1289 CE MET A 69 -8.540 7.190 4.634 1.00 0.55 C ATOM 0 H MET A 69 -6.748 6.228 8.334 1.00 0.33 H new ATOM 0 HA MET A 69 -8.508 4.044 8.720 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.560 5.370 6.150 1.00 0.46 H new ATOM 0 HB3 MET A 69 -8.949 4.311 6.291 1.00 0.46 H new ATOM 0 HG2 MET A 69 -10.015 5.943 7.843 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.637 7.008 7.651 1.00 0.44 H new ATOM 0 HE1 MET A 69 -8.794 7.840 3.796 1.00 0.55 H new ATOM 0 HE2 MET A 69 -7.743 7.648 5.220 1.00 0.55 H new ATOM 0 HE3 MET A 69 -8.203 6.225 4.255 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.743 3.491 6.998 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.830 2.481 6.499 1.00 0.39 C ATOM 1301 C VAL A 70 -4.337 1.603 7.648 1.00 0.38 C ATOM 1302 O VAL A 70 -4.275 0.379 7.538 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.644 3.171 5.796 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.639 2.162 5.281 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.155 4.044 4.659 1.00 0.70 C ATOM 0 H VAL A 70 -5.417 4.447 6.859 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.348 1.844 5.782 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.133 3.797 6.527 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.817 2.684 4.792 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.252 1.576 6.115 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -3.124 1.498 4.566 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.313 4.529 4.166 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -4.691 3.426 3.938 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -4.828 4.803 5.057 1.00 0.70 H new ATOM 1309 N LYS A 71 -4.034 2.251 8.761 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.594 1.581 9.972 1.00 0.43 C ATOM 1311 C LYS A 71 -4.671 0.669 10.522 1.00 0.44 C ATOM 1312 O LYS A 71 -4.365 -0.332 11.137 1.00 0.45 O ATOM 1313 CB LYS A 71 -3.204 2.613 11.030 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.822 3.210 10.812 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.725 2.226 11.180 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.682 1.994 12.679 1.00 0.75 C ATOM 1317 NZ LYS A 71 -0.219 3.202 13.412 1.00 1.47 N ATOM 0 H LYS A 71 -4.087 3.266 8.849 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.727 0.971 9.719 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -3.942 3.415 11.033 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -3.238 2.145 12.014 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -1.713 3.505 9.768 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -1.717 4.114 11.411 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.894 1.279 10.667 1.00 1.30 H new ATOM 0 HD3 LYS A 71 0.238 2.606 10.840 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -1.674 1.713 13.032 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -0.017 1.159 12.899 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 0.040 2.940 14.385 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 0.610 3.604 12.929 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 -0.983 3.908 13.435 1.00 1.47 H new ATOM 1331 N SER A 72 -5.931 1.027 10.307 1.00 0.45 N ATOM 1332 CA SER A 72 -7.046 0.196 10.745 1.00 0.49 C ATOM 1333 C SER A 72 -7.012 -1.159 10.044 1.00 0.45 C ATOM 1334 O SER A 72 -7.217 -2.204 10.662 1.00 0.49 O ATOM 1335 CB SER A 72 -8.372 0.907 10.466 1.00 0.56 C ATOM 1336 OG SER A 72 -9.477 0.094 10.818 1.00 1.26 O ATOM 0 H SER A 72 -6.206 1.887 9.832 1.00 0.45 H new ATOM 0 HA SER A 72 -6.955 0.029 11.818 1.00 0.49 H new ATOM 0 HB2 SER A 72 -8.411 1.841 11.027 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.432 1.168 9.409 1.00 0.56 H new ATOM 0 HG SER A 72 -10.310 0.575 10.630 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.745 -1.134 8.746 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.629 -2.356 7.966 1.00 0.38 C ATOM 1344 C LYS A 73 -5.363 -3.100 8.378 1.00 0.33 C ATOM 1345 O LYS A 73 -5.363 -4.319 8.496 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.579 -2.067 6.457 1.00 0.44 C ATOM 1347 CG LYS A 73 -7.215 -0.750 6.015 1.00 0.62 C ATOM 1348 CD LYS A 73 -8.725 -0.745 6.176 1.00 0.78 C ATOM 1349 CE LYS A 73 -9.349 0.478 5.515 1.00 0.88 C ATOM 1350 NZ LYS A 73 -9.111 0.503 4.044 1.00 1.54 N ATOM 0 H LYS A 73 -6.604 -0.278 8.210 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.511 -2.965 8.163 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.536 -2.071 6.139 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -7.075 -2.883 5.932 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -6.789 0.068 6.597 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -6.964 -0.563 4.971 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -9.143 -1.651 5.737 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -8.980 -0.758 7.236 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -10.422 0.486 5.708 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -8.937 1.382 5.964 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -8.458 1.278 3.811 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -8.695 -0.402 3.744 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -10.014 0.650 3.549 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.303 -2.351 8.625 1.00 0.28 N ATOM 1365 CA ILE A 74 -3.018 -2.924 9.011 1.00 0.28 C ATOM 1366 C ILE A 74 -3.024 -3.355 10.484 1.00 0.28 C ATOM 1367 O ILE A 74 -2.174 -4.121 10.936 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.889 -1.909 8.716 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.850 -1.656 7.211 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.540 -2.399 9.209 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.823 -0.645 6.766 1.00 0.32 C ATOM 0 H ILE A 74 -4.304 -1.333 8.565 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.837 -3.822 8.421 1.00 0.28 H new ATOM 0 HB ILE A 74 -2.099 -0.983 9.251 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.654 -2.600 6.703 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.835 -1.319 6.888 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.223 -1.655 8.981 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.582 -2.557 10.287 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.291 -3.338 8.714 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.869 -0.532 5.683 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -1.028 0.315 7.240 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.172 -0.986 7.053 1.00 0.32 H new ATOM 1378 N ALA A 75 -4.020 -2.889 11.216 1.00 0.31 N ATOM 1379 CA ALA A 75 -4.197 -3.269 12.613 1.00 0.32 C ATOM 1380 C ALA A 75 -4.916 -4.597 12.683 1.00 0.32 C ATOM 1381 O ALA A 75 -4.667 -5.425 13.560 1.00 0.35 O ATOM 1382 CB ALA A 75 -5.002 -2.217 13.359 1.00 0.34 C ATOM 0 H ALA A 75 -4.726 -2.241 10.866 1.00 0.31 H new ATOM 0 HA ALA A 75 -3.216 -3.351 13.080 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -5.122 -2.521 14.399 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -4.479 -1.262 13.318 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.983 -2.113 12.896 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.808 -4.776 11.724 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.612 -5.974 11.601 1.00 0.32 C ATOM 1390 C ALA A 76 -5.881 -7.010 10.758 1.00 0.34 C ATOM 1391 O ALA A 76 -6.372 -8.118 10.543 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.944 -5.608 10.963 1.00 0.35 C ATOM 0 H ALA A 76 -5.995 -4.082 11.000 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.790 -6.404 12.587 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.559 -6.503 10.865 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.460 -4.880 11.590 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.769 -5.178 9.977 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.699 -6.637 10.298 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.885 -7.485 9.446 1.00 0.31 C ATOM 1400 C LEU A 77 -2.944 -8.322 10.299 1.00 0.32 C ATOM 1401 O LEU A 77 -2.383 -7.829 11.282 1.00 0.33 O ATOM 1402 CB LEU A 77 -3.095 -6.598 8.481 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.450 -7.290 7.280 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.457 -8.174 6.569 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -1.919 -6.237 6.326 1.00 0.58 C ATOM 0 H LEU A 77 -4.275 -5.733 10.506 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.519 -8.163 8.875 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.764 -5.823 8.107 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.310 -6.096 9.046 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.630 -7.919 7.628 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -2.979 -8.658 5.717 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -3.825 -8.934 7.258 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.292 -7.566 6.220 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.458 -6.724 5.467 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -2.740 -5.606 5.987 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.177 -5.624 6.837 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.800 -9.592 9.931 1.00 0.36 N ATOM 1418 CA GLY A 78 -1.943 -10.503 10.669 1.00 0.42 C ATOM 1419 C GLY A 78 -0.514 -10.007 10.765 1.00 0.46 C ATOM 1420 O GLY A 78 -0.051 -9.304 9.872 1.00 0.76 O ATOM 0 H GLY A 78 -3.267 -10.010 9.126 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -2.344 -10.641 11.673 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -1.953 -11.479 10.184 1.00 0.42 H new ATOM 1424 N PRO A 79 0.207 -10.379 11.839 1.00 0.66 N ATOM 1425 CA PRO A 79 1.578 -9.909 12.113 1.00 0.86 C ATOM 1426 C PRO A 79 2.494 -9.899 10.887 1.00 0.60 C ATOM 1427 O PRO A 79 3.246 -8.945 10.670 1.00 0.64 O ATOM 1428 CB PRO A 79 2.081 -10.929 13.132 1.00 1.32 C ATOM 1429 CG PRO A 79 0.862 -11.334 13.881 1.00 1.56 C ATOM 1430 CD PRO A 79 -0.267 -11.303 12.887 1.00 1.10 C ATOM 0 HA PRO A 79 1.580 -8.873 12.451 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.549 -11.783 12.642 1.00 1.32 H new ATOM 0 HB3 PRO A 79 2.828 -10.493 13.795 1.00 1.32 H new ATOM 0 HG2 PRO A 79 0.979 -12.330 14.307 1.00 1.56 H new ATOM 0 HG3 PRO A 79 0.670 -10.653 14.710 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.471 -12.295 12.483 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -1.191 -10.949 13.343 1.00 1.10 H new ATOM 1438 N GLU A 80 2.422 -10.951 10.084 1.00 0.51 N ATOM 1439 CA GLU A 80 3.287 -11.084 8.923 1.00 0.49 C ATOM 1440 C GLU A 80 2.762 -10.277 7.743 1.00 0.42 C ATOM 1441 O GLU A 80 3.540 -9.627 7.042 1.00 0.49 O ATOM 1442 CB GLU A 80 3.469 -12.552 8.522 1.00 0.70 C ATOM 1443 CG GLU A 80 2.186 -13.300 8.164 1.00 1.25 C ATOM 1444 CD GLU A 80 1.286 -13.558 9.352 1.00 1.79 C ATOM 1445 OE1 GLU A 80 1.522 -14.545 10.079 1.00 2.19 O ATOM 1446 OE2 GLU A 80 0.336 -12.782 9.557 1.00 2.52 O ATOM 0 H GLU A 80 1.772 -11.726 10.217 1.00 0.51 H new ATOM 0 HA GLU A 80 4.261 -10.685 9.205 1.00 0.49 H new ATOM 0 HB2 GLU A 80 4.145 -12.596 7.668 1.00 0.70 H new ATOM 0 HB3 GLU A 80 3.958 -13.077 9.343 1.00 0.70 H new ATOM 0 HG2 GLU A 80 1.635 -12.725 7.419 1.00 1.25 H new ATOM 0 HG3 GLU A 80 2.447 -14.252 7.702 1.00 1.25 H new ATOM 1453 N ALA A 81 1.460 -10.311 7.522 1.00 0.36 N ATOM 1454 CA ALA A 81 0.870 -9.536 6.437 1.00 0.34 C ATOM 1455 C ALA A 81 1.015 -8.042 6.725 1.00 0.31 C ATOM 1456 O ALA A 81 1.244 -7.231 5.826 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.583 -9.933 6.221 1.00 0.36 C ATOM 0 H ALA A 81 0.796 -10.858 8.069 1.00 0.36 H new ATOM 0 HA ALA A 81 1.403 -9.753 5.511 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.004 -9.343 5.407 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -0.637 -10.992 5.967 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.150 -9.749 7.134 1.00 0.36 H new ATOM 1463 N LYS A 82 0.892 -7.711 8.007 1.00 0.31 N ATOM 1464 CA LYS A 82 1.115 -6.363 8.520 1.00 0.33 C ATOM 1465 C LYS A 82 2.482 -5.829 8.105 1.00 0.33 C ATOM 1466 O LYS A 82 2.585 -4.710 7.606 1.00 0.32 O ATOM 1467 CB LYS A 82 1.010 -6.364 10.048 1.00 0.41 C ATOM 1468 CG LYS A 82 1.028 -4.971 10.653 1.00 0.60 C ATOM 1469 CD LYS A 82 0.807 -4.995 12.157 1.00 0.86 C ATOM 1470 CE LYS A 82 2.008 -5.549 12.895 1.00 1.33 C ATOM 1471 NZ LYS A 82 3.205 -4.676 12.749 1.00 2.04 N ATOM 0 H LYS A 82 0.631 -8.382 8.730 1.00 0.31 H new ATOM 0 HA LYS A 82 0.350 -5.712 8.096 1.00 0.33 H new ATOM 0 HB2 LYS A 82 0.089 -6.868 10.342 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.836 -6.943 10.462 1.00 0.41 H new ATOM 0 HG2 LYS A 82 1.984 -4.495 10.436 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.255 -4.363 10.184 1.00 0.60 H new ATOM 0 HD2 LYS A 82 0.598 -3.985 12.510 1.00 0.86 H new ATOM 0 HD3 LYS A 82 -0.070 -5.600 12.386 1.00 0.86 H new ATOM 0 HE2 LYS A 82 1.765 -5.657 13.952 1.00 1.33 H new ATOM 0 HE3 LYS A 82 2.238 -6.545 12.517 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 4.020 -5.251 12.456 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 3.018 -3.948 12.030 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 3.414 -4.218 13.659 1.00 2.04 H new ATOM 1485 N GLY A 83 3.522 -6.636 8.296 1.00 0.37 N ATOM 1486 CA GLY A 83 4.870 -6.204 7.965 1.00 0.41 C ATOM 1487 C GLY A 83 5.001 -5.801 6.509 1.00 0.39 C ATOM 1488 O GLY A 83 5.669 -4.817 6.183 1.00 0.41 O ATOM 0 H GLY A 83 3.456 -7.581 8.674 1.00 0.37 H new ATOM 0 HA2 GLY A 83 5.146 -5.362 8.600 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.571 -7.010 8.182 1.00 0.41 H new ATOM 1492 N PHE A 84 4.349 -6.559 5.640 1.00 0.37 N ATOM 1493 CA PHE A 84 4.333 -6.258 4.218 1.00 0.37 C ATOM 1494 C PHE A 84 3.564 -4.970 3.944 1.00 0.34 C ATOM 1495 O PHE A 84 4.032 -4.105 3.202 1.00 0.37 O ATOM 1496 CB PHE A 84 3.713 -7.426 3.442 1.00 0.39 C ATOM 1497 CG PHE A 84 3.194 -7.049 2.083 1.00 0.74 C ATOM 1498 CD1 PHE A 84 4.056 -6.637 1.082 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.837 -7.106 1.812 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.572 -6.284 -0.161 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.350 -6.755 0.569 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.218 -6.344 -0.417 1.00 1.59 C ATOM 0 H PHE A 84 3.821 -7.393 5.898 1.00 0.37 H new ATOM 0 HA PHE A 84 5.361 -6.116 3.883 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.460 -8.211 3.329 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.896 -7.845 4.028 1.00 0.39 H new ATOM 0 HD1 PHE A 84 5.118 -6.591 1.275 1.00 0.71 H new ATOM 0 HD2 PHE A 84 1.152 -7.429 2.582 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.254 -5.961 -0.934 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.289 -6.803 0.370 1.00 1.65 H new ATOM 0 HZ PHE A 84 1.839 -6.069 -1.390 1.00 1.59 H new ATOM 1512 N ALA A 85 2.391 -4.848 4.550 1.00 0.30 N ATOM 1513 CA ALA A 85 1.526 -3.693 4.344 1.00 0.30 C ATOM 1514 C ALA A 85 2.228 -2.397 4.728 1.00 0.32 C ATOM 1515 O ALA A 85 2.185 -1.410 3.995 1.00 0.41 O ATOM 1516 CB ALA A 85 0.251 -3.850 5.151 1.00 0.28 C ATOM 0 H ALA A 85 2.013 -5.542 5.195 1.00 0.30 H new ATOM 0 HA ALA A 85 1.281 -3.641 3.283 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.390 -2.983 4.991 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.273 -4.751 4.833 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.498 -3.929 6.210 1.00 0.28 H new ATOM 1522 N GLU A 86 2.894 -2.420 5.874 1.00 0.31 N ATOM 1523 CA GLU A 86 3.556 -1.233 6.398 1.00 0.37 C ATOM 1524 C GLU A 86 4.711 -0.794 5.500 1.00 0.44 C ATOM 1525 O GLU A 86 5.094 0.376 5.503 1.00 0.70 O ATOM 1526 CB GLU A 86 4.059 -1.489 7.819 1.00 0.43 C ATOM 1527 CG GLU A 86 2.950 -1.855 8.793 1.00 0.55 C ATOM 1528 CD GLU A 86 3.442 -1.997 10.217 1.00 0.95 C ATOM 1529 OE1 GLU A 86 3.517 -0.972 10.928 1.00 1.11 O ATOM 1530 OE2 GLU A 86 3.758 -3.129 10.638 1.00 1.96 O ATOM 0 H GLU A 86 2.990 -3.249 6.460 1.00 0.31 H new ATOM 0 HA GLU A 86 2.824 -0.426 6.419 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.794 -2.293 7.797 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.572 -0.598 8.181 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.174 -1.091 8.756 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.490 -2.792 8.477 1.00 0.55 H new ATOM 1537 N LYS A 87 5.258 -1.729 4.729 1.00 0.41 N ATOM 1538 CA LYS A 87 6.370 -1.428 3.850 1.00 0.49 C ATOM 1539 C LYS A 87 5.888 -1.081 2.441 1.00 0.49 C ATOM 1540 O LYS A 87 6.384 -0.138 1.827 1.00 0.57 O ATOM 1541 CB LYS A 87 7.328 -2.614 3.791 1.00 0.57 C ATOM 1542 CG LYS A 87 8.621 -2.284 3.077 1.00 0.69 C ATOM 1543 CD LYS A 87 9.503 -3.507 2.887 1.00 1.25 C ATOM 1544 CE LYS A 87 9.850 -4.175 4.210 1.00 1.75 C ATOM 1545 NZ LYS A 87 10.593 -3.262 5.118 1.00 2.12 N ATOM 0 H LYS A 87 4.946 -2.699 4.699 1.00 0.41 H new ATOM 0 HA LYS A 87 6.891 -0.560 4.255 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.552 -2.946 4.805 1.00 0.57 H new ATOM 0 HB3 LYS A 87 6.839 -3.446 3.284 1.00 0.57 H new ATOM 0 HG2 LYS A 87 8.395 -1.847 2.104 1.00 0.69 H new ATOM 0 HG3 LYS A 87 9.166 -1.531 3.646 1.00 0.69 H new ATOM 0 HD2 LYS A 87 8.994 -4.224 2.242 1.00 1.25 H new ATOM 0 HD3 LYS A 87 10.421 -3.215 2.377 1.00 1.25 H new ATOM 0 HE2 LYS A 87 8.934 -4.507 4.700 1.00 1.75 H new ATOM 0 HE3 LYS A 87 10.450 -5.065 4.020 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 10.912 -3.790 5.955 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 11.418 -2.872 4.619 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 9.969 -2.485 5.416 1.00 2.12 H new ATOM 1559 N SER A 88 4.919 -1.841 1.938 1.00 0.46 N ATOM 1560 CA SER A 88 4.414 -1.644 0.579 1.00 0.51 C ATOM 1561 C SER A 88 3.832 -0.246 0.409 1.00 0.51 C ATOM 1562 O SER A 88 4.108 0.436 -0.582 1.00 0.57 O ATOM 1563 CB SER A 88 3.364 -2.705 0.240 1.00 0.56 C ATOM 1564 OG SER A 88 2.455 -2.887 1.310 1.00 0.48 O ATOM 0 H SER A 88 4.467 -2.599 2.449 1.00 0.46 H new ATOM 0 HA SER A 88 5.251 -1.748 -0.111 1.00 0.51 H new ATOM 0 HB2 SER A 88 2.820 -2.408 -0.656 1.00 0.56 H new ATOM 0 HB3 SER A 88 3.858 -3.650 0.014 1.00 0.56 H new ATOM 0 HG SER A 88 2.869 -3.448 1.999 1.00 0.48 H new ATOM 1570 N ILE A 89 3.039 0.177 1.388 1.00 0.50 N ATOM 1571 CA ILE A 89 2.471 1.516 1.394 1.00 0.56 C ATOM 1572 C ILE A 89 3.578 2.567 1.310 1.00 0.55 C ATOM 1573 O ILE A 89 3.449 3.547 0.581 1.00 0.59 O ATOM 1574 CB ILE A 89 1.585 1.754 2.651 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.136 1.324 2.388 1.00 0.83 C ATOM 1576 CG2 ILE A 89 1.621 3.211 3.094 1.00 0.79 C ATOM 1577 CD1 ILE A 89 -0.037 -0.149 2.080 1.00 1.09 C ATOM 0 H ILE A 89 2.775 -0.394 2.191 1.00 0.50 H new ATOM 0 HA ILE A 89 1.832 1.610 0.516 1.00 0.56 H new ATOM 0 HB ILE A 89 1.995 1.143 3.455 1.00 0.63 H new ATOM 0 HG12 ILE A 89 -0.467 1.573 3.261 1.00 0.83 H new ATOM 0 HG13 ILE A 89 -0.256 1.905 1.553 1.00 0.83 H new ATOM 0 HG21 ILE A 89 0.991 3.339 3.974 1.00 0.79 H new ATOM 0 HG22 ILE A 89 2.646 3.492 3.337 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.252 3.846 2.288 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -1.092 -0.363 1.908 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.535 -0.404 1.188 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.321 -0.741 2.922 1.00 1.09 H new ATOM 1584 N GLU A 90 4.678 2.331 2.020 1.00 0.53 N ATOM 1585 CA GLU A 90 5.773 3.293 2.073 1.00 0.60 C ATOM 1586 C GLU A 90 6.590 3.307 0.781 1.00 0.56 C ATOM 1587 O GLU A 90 7.067 4.365 0.368 1.00 0.63 O ATOM 1588 CB GLU A 90 6.681 3.019 3.273 1.00 0.69 C ATOM 1589 CG GLU A 90 6.031 3.352 4.606 1.00 1.28 C ATOM 1590 CD GLU A 90 5.565 4.794 4.683 1.00 2.08 C ATOM 1591 OE1 GLU A 90 6.404 5.684 4.915 1.00 2.41 O ATOM 1592 OE2 GLU A 90 4.350 5.043 4.513 1.00 2.82 O ATOM 0 H GLU A 90 4.834 1.483 2.565 1.00 0.53 H new ATOM 0 HA GLU A 90 5.324 4.280 2.188 1.00 0.60 H new ATOM 0 HB2 GLU A 90 6.969 1.968 3.269 1.00 0.69 H new ATOM 0 HB3 GLU A 90 7.597 3.601 3.168 1.00 0.69 H new ATOM 0 HG2 GLU A 90 5.180 2.690 4.767 1.00 1.28 H new ATOM 0 HG3 GLU A 90 6.741 3.160 5.410 1.00 1.28 H new ATOM 1599 N ILE A 91 6.756 2.151 0.142 1.00 0.47 N ATOM 1600 CA ILE A 91 7.463 2.094 -1.135 1.00 0.46 C ATOM 1601 C ILE A 91 6.693 2.885 -2.189 1.00 0.47 C ATOM 1602 O ILE A 91 7.261 3.722 -2.898 1.00 0.51 O ATOM 1603 CB ILE A 91 7.665 0.643 -1.632 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.497 -0.166 -0.629 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.338 0.645 -2.997 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.726 -1.607 -1.046 1.00 0.45 C ATOM 0 H ILE A 91 6.415 1.252 0.482 1.00 0.47 H new ATOM 0 HA ILE A 91 8.449 2.531 -0.977 1.00 0.46 H new ATOM 0 HB ILE A 91 6.687 0.171 -1.722 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.463 0.322 -0.495 1.00 0.43 H new ATOM 0 HG13 ILE A 91 7.996 -0.153 0.339 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.475 -0.382 -3.337 1.00 0.49 H new ATOM 0 HG22 ILE A 91 7.713 1.183 -3.710 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.309 1.135 -2.923 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.322 -2.115 -0.288 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.766 -2.112 -1.152 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.255 -1.630 -1.999 1.00 0.45 H new ATOM 1613 N ALA A 92 5.394 2.630 -2.264 1.00 0.47 N ATOM 1614 CA ALA A 92 4.517 3.345 -3.179 1.00 0.53 C ATOM 1615 C ALA A 92 4.401 4.813 -2.779 1.00 0.60 C ATOM 1616 O ALA A 92 4.191 5.694 -3.618 1.00 0.64 O ATOM 1617 CB ALA A 92 3.142 2.691 -3.195 1.00 0.56 C ATOM 0 H ALA A 92 4.922 1.927 -1.696 1.00 0.47 H new ATOM 0 HA ALA A 92 4.945 3.298 -4.180 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.490 3.231 -3.882 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.235 1.655 -3.522 1.00 0.56 H new ATOM 0 HB3 ALA A 92 2.715 2.718 -2.193 1.00 0.56 H new ATOM 1623 N ARG A 93 4.526 5.058 -1.485 1.00 0.66 N ATOM 1624 CA ARG A 93 4.451 6.405 -0.942 1.00 0.77 C ATOM 1625 C ARG A 93 5.681 7.211 -1.333 1.00 0.68 C ATOM 1626 O ARG A 93 5.567 8.374 -1.703 1.00 0.68 O ATOM 1627 CB ARG A 93 4.318 6.350 0.579 1.00 0.99 C ATOM 1628 CG ARG A 93 3.694 7.589 1.189 1.00 1.55 C ATOM 1629 CD ARG A 93 3.335 7.354 2.645 1.00 1.83 C ATOM 1630 NE ARG A 93 2.434 8.385 3.157 1.00 2.71 N ATOM 1631 CZ ARG A 93 1.179 8.153 3.539 1.00 3.44 C ATOM 1632 NH1 ARG A 93 0.698 6.912 3.543 1.00 3.55 N ATOM 1633 NH2 ARG A 93 0.415 9.160 3.941 1.00 4.42 N ATOM 0 H ARG A 93 4.682 4.333 -0.784 1.00 0.66 H new ATOM 0 HA ARG A 93 3.572 6.897 -1.358 1.00 0.77 H new ATOM 0 HB2 ARG A 93 3.717 5.482 0.850 1.00 0.99 H new ATOM 0 HB3 ARG A 93 5.306 6.201 1.015 1.00 0.99 H new ATOM 0 HG2 ARG A 93 4.388 8.426 1.112 1.00 1.55 H new ATOM 0 HG3 ARG A 93 2.800 7.864 0.630 1.00 1.55 H new ATOM 0 HD2 ARG A 93 2.865 6.376 2.750 1.00 1.83 H new ATOM 0 HD3 ARG A 93 4.245 7.336 3.245 1.00 1.83 H new ATOM 0 HE ARG A 93 2.787 9.339 3.226 1.00 2.71 H new ATOM 0 HH11 ARG A 93 1.291 6.134 3.253 1.00 3.55 H new ATOM 0 HH12 ARG A 93 -0.263 6.739 3.836 1.00 3.55 H new ATOM 0 HH21 ARG A 93 0.789 10.109 3.957 1.00 4.42 H new ATOM 0 HH22 ARG A 93 -0.546 8.985 4.234 1.00 4.42 H new ATOM 1647 N GLY A 94 6.846 6.567 -1.290 1.00 0.66 N ATOM 1648 CA GLY A 94 8.094 7.244 -1.602 1.00 0.65 C ATOM 1649 C GLY A 94 8.146 7.722 -3.039 1.00 0.56 C ATOM 1650 O GLY A 94 8.737 8.758 -3.340 1.00 0.56 O ATOM 0 H GLY A 94 6.947 5.583 -1.043 1.00 0.66 H new ATOM 0 HA2 GLY A 94 8.220 8.096 -0.933 1.00 0.65 H new ATOM 0 HA3 GLY A 94 8.928 6.567 -1.416 1.00 0.65 H new ATOM 1654 N ILE A 95 7.502 6.972 -3.922 1.00 0.52 N ATOM 1655 CA ILE A 95 7.424 7.334 -5.330 1.00 0.48 C ATOM 1656 C ILE A 95 6.684 8.656 -5.507 1.00 0.47 C ATOM 1657 O ILE A 95 7.123 9.540 -6.240 1.00 0.49 O ATOM 1658 CB ILE A 95 6.720 6.224 -6.139 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.601 4.975 -6.194 1.00 0.53 C ATOM 1660 CG2 ILE A 95 6.368 6.696 -7.542 1.00 0.52 C ATOM 1661 CD1 ILE A 95 8.956 5.208 -6.832 1.00 0.55 C ATOM 0 H ILE A 95 7.023 6.103 -3.686 1.00 0.52 H new ATOM 0 HA ILE A 95 8.441 7.450 -5.705 1.00 0.48 H new ATOM 0 HB ILE A 95 5.787 5.976 -5.633 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.747 4.600 -5.181 1.00 0.53 H new ATOM 0 HG13 ILE A 95 7.077 4.197 -6.750 1.00 0.53 H new ATOM 0 HG21 ILE A 95 5.874 5.890 -8.084 1.00 0.52 H new ATOM 0 HG22 ILE A 95 5.699 7.555 -7.480 1.00 0.52 H new ATOM 0 HG23 ILE A 95 7.278 6.982 -8.069 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.522 4.277 -6.834 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.821 5.553 -7.857 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.501 5.962 -6.264 1.00 0.55 H new ATOM 1668 N LYS A 96 5.577 8.796 -4.802 1.00 0.50 N ATOM 1669 CA LYS A 96 4.785 10.012 -4.867 1.00 0.54 C ATOM 1670 C LYS A 96 5.225 10.986 -3.785 1.00 0.57 C ATOM 1671 O LYS A 96 4.605 12.023 -3.584 1.00 0.83 O ATOM 1672 CB LYS A 96 3.294 9.698 -4.753 1.00 0.64 C ATOM 1673 CG LYS A 96 2.792 8.735 -5.820 1.00 1.47 C ATOM 1674 CD LYS A 96 1.301 8.463 -5.680 1.00 1.78 C ATOM 1675 CE LYS A 96 0.974 7.716 -4.394 1.00 1.90 C ATOM 1676 NZ LYS A 96 1.559 6.347 -4.379 1.00 2.70 N ATOM 0 H LYS A 96 5.205 8.082 -4.176 1.00 0.50 H new ATOM 0 HA LYS A 96 4.950 10.481 -5.837 1.00 0.54 H new ATOM 0 HB2 LYS A 96 3.095 9.273 -3.769 1.00 0.64 H new ATOM 0 HB3 LYS A 96 2.729 10.628 -4.819 1.00 0.64 H new ATOM 0 HG2 LYS A 96 2.995 9.149 -6.808 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.341 7.796 -5.749 1.00 1.47 H new ATOM 0 HD2 LYS A 96 0.757 9.407 -5.699 1.00 1.78 H new ATOM 0 HD3 LYS A 96 0.957 7.880 -6.535 1.00 1.78 H new ATOM 0 HE2 LYS A 96 1.351 8.281 -3.541 1.00 1.90 H new ATOM 0 HE3 LYS A 96 -0.108 7.649 -4.279 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 0.914 5.699 -3.884 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 1.698 6.018 -5.356 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 2.475 6.366 -3.887 1.00 2.70 H new ATOM 1690 N ALA A 97 6.323 10.656 -3.126 1.00 0.50 N ATOM 1691 CA ALA A 97 6.970 11.569 -2.202 1.00 0.53 C ATOM 1692 C ALA A 97 8.110 12.282 -2.905 1.00 0.46 C ATOM 1693 O ALA A 97 8.392 13.451 -2.637 1.00 0.48 O ATOM 1694 CB ALA A 97 7.474 10.826 -0.978 1.00 0.63 C ATOM 0 H ALA A 97 6.788 9.753 -3.216 1.00 0.50 H new ATOM 0 HA ALA A 97 6.243 12.309 -1.867 1.00 0.53 H new ATOM 0 HB1 ALA A 97 7.956 11.529 -0.298 1.00 0.63 H new ATOM 0 HB2 ALA A 97 6.635 10.348 -0.471 1.00 0.63 H new ATOM 0 HB3 ALA A 97 8.193 10.066 -1.284 1.00 0.63 H new ATOM 1700 N ARG A 98 8.751 11.584 -3.831 1.00 0.41 N ATOM 1701 CA ARG A 98 9.748 12.214 -4.678 1.00 0.44 C ATOM 1702 C ARG A 98 9.051 12.901 -5.844 1.00 0.44 C ATOM 1703 O ARG A 98 9.679 13.585 -6.642 1.00 0.53 O ATOM 1704 CB ARG A 98 10.814 11.217 -5.149 1.00 0.51 C ATOM 1705 CG ARG A 98 10.259 10.078 -5.989 1.00 1.02 C ATOM 1706 CD ARG A 98 11.338 9.077 -6.370 1.00 0.81 C ATOM 1707 NE ARG A 98 11.863 8.362 -5.208 1.00 1.51 N ATOM 1708 CZ ARG A 98 12.668 7.302 -5.285 1.00 1.94 C ATOM 1709 NH1 ARG A 98 13.046 6.825 -6.465 1.00 1.37 N ATOM 1710 NH2 ARG A 98 13.094 6.715 -4.175 1.00 3.10 N ATOM 0 H ARG A 98 8.600 10.592 -4.013 1.00 0.41 H new ATOM 0 HA ARG A 98 10.282 12.965 -4.096 1.00 0.44 H new ATOM 0 HB2 ARG A 98 11.567 11.751 -5.729 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.319 10.801 -4.278 1.00 0.51 H new ATOM 0 HG2 ARG A 98 9.471 9.569 -5.435 1.00 1.02 H new ATOM 0 HG3 ARG A 98 9.803 10.482 -6.893 1.00 1.02 H new ATOM 0 HD2 ARG A 98 10.930 8.360 -7.082 1.00 0.81 H new ATOM 0 HD3 ARG A 98 12.153 9.598 -6.873 1.00 0.81 H new ATOM 0 HE ARG A 98 11.597 8.695 -4.281 1.00 1.51 H new ATOM 0 HH11 ARG A 98 12.720 7.270 -7.323 1.00 1.37 H new ATOM 0 HH12 ARG A 98 13.662 6.014 -6.513 1.00 1.37 H new ATOM 0 HH21 ARG A 98 12.806 7.075 -3.265 1.00 3.10 H new ATOM 0 HH22 ARG A 98 13.710 5.904 -4.231 1.00 3.10 H new ATOM 1724 N TYR A 99 7.735 12.746 -5.910 1.00 0.44 N ATOM 1725 CA TYR A 99 6.924 13.608 -6.755 1.00 0.50 C ATOM 1726 C TYR A 99 6.802 14.978 -6.099 1.00 0.54 C ATOM 1727 O TYR A 99 6.776 16.004 -6.780 1.00 0.64 O ATOM 1728 CB TYR A 99 5.529 13.020 -6.982 1.00 0.53 C ATOM 1729 CG TYR A 99 5.316 12.453 -8.370 1.00 0.59 C ATOM 1730 CD1 TYR A 99 5.401 13.271 -9.489 1.00 0.73 C ATOM 1731 CD2 TYR A 99 5.017 11.110 -8.563 1.00 0.60 C ATOM 1732 CE1 TYR A 99 5.199 12.767 -10.760 1.00 0.85 C ATOM 1733 CE2 TYR A 99 4.814 10.599 -9.829 1.00 0.71 C ATOM 1734 CZ TYR A 99 4.907 11.431 -10.924 1.00 0.83 C ATOM 1735 OH TYR A 99 4.706 10.927 -12.187 1.00 0.97 O ATOM 0 H TYR A 99 7.212 12.039 -5.394 1.00 0.44 H new ATOM 0 HA TYR A 99 7.412 13.696 -7.726 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.354 12.233 -6.249 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.785 13.796 -6.800 1.00 0.53 H new ATOM 0 HD1 TYR A 99 5.629 14.319 -9.364 1.00 0.73 H new ATOM 0 HD2 TYR A 99 4.942 10.455 -7.708 1.00 0.60 H new ATOM 0 HE1 TYR A 99 5.270 13.417 -11.620 1.00 0.85 H new ATOM 0 HE2 TYR A 99 4.583 9.552 -9.961 1.00 0.71 H new ATOM 0 HH TYR A 99 4.748 9.948 -12.159 1.00 0.97 H new ATOM 1745 N TYR A 100 6.745 14.986 -4.765 1.00 0.51 N ATOM 1746 CA TYR A 100 6.615 16.227 -4.011 1.00 0.58 C ATOM 1747 C TYR A 100 7.894 17.045 -4.085 1.00 0.58 C ATOM 1748 O TYR A 100 7.867 18.244 -4.360 1.00 0.71 O ATOM 1749 CB TYR A 100 6.319 15.970 -2.532 1.00 0.57 C ATOM 1750 CG TYR A 100 4.999 15.307 -2.249 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.840 15.780 -2.834 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.912 14.195 -1.423 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.624 15.179 -2.606 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.700 13.584 -1.189 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.580 14.086 -1.671 1.00 1.21 C ATOM 1756 OH TYR A 100 1.345 13.483 -1.555 1.00 1.48 O ATOM 0 H TYR A 100 6.787 14.146 -4.189 1.00 0.51 H new ATOM 0 HA TYR A 100 5.784 16.769 -4.463 1.00 0.58 H new ATOM 0 HB2 TYR A 100 7.115 15.349 -2.121 1.00 0.57 H new ATOM 0 HB3 TYR A 100 6.351 16.921 -2.001 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.890 16.641 -3.485 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.805 13.804 -0.958 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.732 15.516 -3.112 1.00 1.26 H new ATOM 0 HE2 TYR A 100 3.666 12.679 -0.601 1.00 1.16 H new ATOM 0 HH TYR A 100 1.173 13.267 -0.615 1.00 1.48 H new ATOM 1766 N THR A 101 9.014 16.373 -3.831 1.00 0.55 N ATOM 1767 CA THR A 101 10.314 17.020 -3.711 1.00 0.66 C ATOM 1768 C THR A 101 10.747 17.716 -4.998 1.00 0.71 C ATOM 1769 O THR A 101 11.605 18.598 -4.972 1.00 0.71 O ATOM 1770 CB THR A 101 11.388 15.992 -3.313 1.00 0.71 C ATOM 1771 OG1 THR A 101 11.315 14.846 -4.170 1.00 0.65 O ATOM 1772 CG2 THR A 101 11.211 15.566 -1.861 1.00 0.87 C ATOM 0 H THR A 101 9.044 15.362 -3.703 1.00 0.55 H new ATOM 0 HA THR A 101 10.210 17.781 -2.937 1.00 0.66 H new ATOM 0 HB THR A 101 12.367 16.458 -3.422 1.00 0.71 H new ATOM 0 HG1 THR A 101 11.889 14.135 -3.815 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.980 14.839 -1.599 1.00 0.87 H new ATOM 0 HG22 THR A 101 11.300 16.438 -1.213 1.00 0.87 H new ATOM 0 HG23 THR A 101 10.227 15.116 -1.731 1.00 0.87 H new ATOM 1780 N GLY A 102 10.150 17.322 -6.117 1.00 0.82 N ATOM 1781 CA GLY A 102 10.535 17.881 -7.397 1.00 0.95 C ATOM 1782 C GLY A 102 11.356 16.913 -8.220 1.00 0.95 C ATOM 1783 O GLY A 102 11.783 17.234 -9.328 1.00 1.16 O ATOM 0 H GLY A 102 9.406 16.625 -6.160 1.00 0.82 H new ATOM 0 HA2 GLY A 102 9.640 18.160 -7.953 1.00 0.95 H new ATOM 0 HA3 GLY A 102 11.108 18.794 -7.235 1.00 0.95 H new ATOM 1787 N ASN A 103 11.566 15.721 -7.684 1.00 0.82 N ATOM 1788 CA ASN A 103 12.355 14.701 -8.364 1.00 0.89 C ATOM 1789 C ASN A 103 11.428 13.682 -9.007 1.00 0.98 C ATOM 1790 O ASN A 103 11.481 12.493 -8.678 1.00 1.83 O ATOM 1791 CB ASN A 103 13.295 13.996 -7.380 1.00 0.90 C ATOM 1792 CG ASN A 103 14.227 14.955 -6.665 1.00 1.28 C ATOM 1793 OD1 ASN A 103 15.308 15.276 -7.157 1.00 1.76 O ATOM 1794 ND2 ASN A 103 13.823 15.407 -5.489 1.00 1.65 N ATOM 0 H ASN A 103 11.200 15.434 -6.776 1.00 0.82 H new ATOM 0 HA ASN A 103 12.958 15.184 -9.133 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.702 13.456 -6.642 1.00 0.90 H new ATOM 0 HB3 ASN A 103 13.887 13.255 -7.918 1.00 0.90 H new ATOM 0 HD21 ASN A 103 14.415 16.045 -4.957 1.00 1.65 H new ATOM 0 HD22 ASN A 103 12.919 15.118 -5.114 1.00 1.65 H new ATOM 1801 N GLU A 104 10.585 14.162 -9.922 1.00 0.56 N ATOM 1802 CA GLU A 104 9.538 13.346 -10.529 1.00 0.56 C ATOM 1803 C GLU A 104 10.091 12.028 -11.069 1.00 0.49 C ATOM 1804 O GLU A 104 10.924 12.014 -11.979 1.00 0.55 O ATOM 1805 CB GLU A 104 8.828 14.132 -11.634 1.00 0.67 C ATOM 1806 CG GLU A 104 8.050 15.332 -11.111 1.00 0.80 C ATOM 1807 CD GLU A 104 7.296 16.074 -12.199 1.00 1.15 C ATOM 1808 OE1 GLU A 104 6.358 15.496 -12.778 1.00 1.75 O ATOM 1809 OE2 GLU A 104 7.644 17.244 -12.479 1.00 1.17 O ATOM 0 H GLU A 104 10.610 15.124 -10.261 1.00 0.56 H new ATOM 0 HA GLU A 104 8.814 13.099 -9.753 1.00 0.56 H new ATOM 0 HB2 GLU A 104 9.566 14.474 -12.360 1.00 0.67 H new ATOM 0 HB3 GLU A 104 8.145 13.467 -12.163 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.343 14.996 -10.352 1.00 0.80 H new ATOM 0 HG3 GLU A 104 8.740 16.020 -10.622 1.00 0.80 H new ATOM 1816 N PRO A 105 9.635 10.905 -10.488 1.00 0.44 N ATOM 1817 CA PRO A 105 10.148 9.563 -10.802 1.00 0.44 C ATOM 1818 C PRO A 105 9.873 9.132 -12.241 1.00 0.42 C ATOM 1819 O PRO A 105 8.947 9.636 -12.886 1.00 0.47 O ATOM 1820 CB PRO A 105 9.377 8.656 -9.834 1.00 0.48 C ATOM 1821 CG PRO A 105 8.166 9.427 -9.459 1.00 0.53 C ATOM 1822 CD PRO A 105 8.587 10.863 -9.454 1.00 0.49 C ATOM 0 HA PRO A 105 11.232 9.522 -10.699 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.111 7.711 -10.307 1.00 0.48 H new ATOM 0 HB3 PRO A 105 9.978 8.415 -8.957 1.00 0.48 H new ATOM 0 HG2 PRO A 105 7.358 9.258 -10.171 1.00 0.53 H new ATOM 0 HG3 PRO A 105 7.796 9.124 -8.479 1.00 0.53 H new ATOM 0 HD2 PRO A 105 7.757 11.528 -9.694 1.00 0.49 H new ATOM 0 HD3 PRO A 105 8.969 11.168 -8.480 1.00 0.49 H new ATOM 1830 N THR A 106 10.668 8.195 -12.741 1.00 0.42 N ATOM 1831 CA THR A 106 10.425 7.623 -14.054 1.00 0.42 C ATOM 1832 C THR A 106 9.481 6.443 -13.947 1.00 0.39 C ATOM 1833 O THR A 106 9.082 6.054 -12.847 1.00 0.41 O ATOM 1834 CB THR A 106 11.715 7.137 -14.739 1.00 0.50 C ATOM 1835 OG1 THR A 106 12.367 6.149 -13.930 1.00 1.48 O ATOM 1836 CG2 THR A 106 12.655 8.289 -15.007 1.00 1.05 C ATOM 0 H THR A 106 11.483 7.818 -12.258 1.00 0.42 H new ATOM 0 HA THR A 106 9.990 8.420 -14.656 1.00 0.42 H new ATOM 0 HB THR A 106 11.441 6.690 -15.695 1.00 0.50 H new ATOM 0 HG1 THR A 106 12.691 6.565 -13.104 1.00 1.48 H new ATOM 0 HG21 THR A 106 13.558 7.917 -15.491 1.00 1.05 H new ATOM 0 HG22 THR A 106 12.166 9.014 -15.658 1.00 1.05 H new ATOM 0 HG23 THR A 106 12.920 8.769 -14.065 1.00 1.05 H new ATOM 1844 N LYS A 107 9.144 5.855 -15.078 1.00 0.39 N ATOM 1845 CA LYS A 107 8.324 4.662 -15.080 1.00 0.39 C ATOM 1846 C LYS A 107 9.099 3.495 -14.470 1.00 0.36 C ATOM 1847 O LYS A 107 8.515 2.559 -13.926 1.00 0.38 O ATOM 1848 CB LYS A 107 7.881 4.339 -16.504 1.00 0.43 C ATOM 1849 CG LYS A 107 9.045 4.196 -17.469 1.00 1.33 C ATOM 1850 CD LYS A 107 8.574 4.046 -18.906 1.00 1.66 C ATOM 1851 CE LYS A 107 7.899 5.312 -19.414 1.00 2.22 C ATOM 1852 NZ LYS A 107 7.489 5.188 -20.836 1.00 2.88 N ATOM 0 H LYS A 107 9.424 6.183 -16.002 1.00 0.39 H new ATOM 0 HA LYS A 107 7.434 4.834 -14.475 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.305 3.414 -16.498 1.00 0.43 H new ATOM 0 HB3 LYS A 107 7.216 5.126 -16.859 1.00 0.43 H new ATOM 0 HG2 LYS A 107 9.693 5.069 -17.388 1.00 1.33 H new ATOM 0 HG3 LYS A 107 9.643 3.328 -17.190 1.00 1.33 H new ATOM 0 HD2 LYS A 107 9.424 3.806 -19.544 1.00 1.66 H new ATOM 0 HD3 LYS A 107 7.878 3.210 -18.975 1.00 1.66 H new ATOM 0 HE2 LYS A 107 7.024 5.528 -18.801 1.00 2.22 H new ATOM 0 HE3 LYS A 107 8.580 6.156 -19.305 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 7.033 6.071 -21.144 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 8.327 5.007 -21.424 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 6.819 4.399 -20.937 1.00 2.88 H new ATOM 1866 N ASP A 108 10.431 3.575 -14.546 1.00 0.36 N ATOM 1867 CA ASP A 108 11.293 2.550 -13.967 1.00 0.38 C ATOM 1868 C ASP A 108 11.262 2.622 -12.452 1.00 0.36 C ATOM 1869 O ASP A 108 11.413 1.608 -11.772 1.00 0.38 O ATOM 1870 CB ASP A 108 12.734 2.676 -14.467 1.00 0.47 C ATOM 1871 CG ASP A 108 12.913 2.144 -15.875 1.00 1.29 C ATOM 1872 OD1 ASP A 108 12.664 0.943 -16.101 1.00 1.26 O ATOM 1873 OD2 ASP A 108 13.296 2.922 -16.770 1.00 2.24 O ATOM 0 H ASP A 108 10.931 4.338 -15.002 1.00 0.36 H new ATOM 0 HA ASP A 108 10.909 1.582 -14.287 1.00 0.38 H new ATOM 0 HB2 ASP A 108 13.034 3.723 -14.438 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.397 2.135 -13.792 1.00 0.47 H new ATOM 1878 N ASP A 109 11.067 3.823 -11.921 1.00 0.36 N ATOM 1879 CA ASP A 109 10.878 3.994 -10.484 1.00 0.37 C ATOM 1880 C ASP A 109 9.584 3.319 -10.050 1.00 0.34 C ATOM 1881 O ASP A 109 9.549 2.582 -9.066 1.00 0.36 O ATOM 1882 CB ASP A 109 10.820 5.478 -10.101 1.00 0.39 C ATOM 1883 CG ASP A 109 12.145 6.203 -10.249 1.00 0.88 C ATOM 1884 OD1 ASP A 109 12.511 6.549 -11.387 1.00 1.73 O ATOM 1885 OD2 ASP A 109 12.843 6.394 -9.232 1.00 0.94 O ATOM 0 H ASP A 109 11.036 4.689 -12.459 1.00 0.36 H new ATOM 0 HA ASP A 109 11.729 3.537 -9.979 1.00 0.37 H new ATOM 0 HB2 ASP A 109 10.074 5.974 -10.722 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.483 5.564 -9.068 1.00 0.39 H new ATOM 1890 N LEU A 110 8.522 3.569 -10.811 1.00 0.30 N ATOM 1891 CA LEU A 110 7.203 3.028 -10.505 1.00 0.30 C ATOM 1892 C LEU A 110 7.180 1.508 -10.608 1.00 0.29 C ATOM 1893 O LEU A 110 6.686 0.831 -9.706 1.00 0.33 O ATOM 1894 CB LEU A 110 6.145 3.626 -11.440 1.00 0.30 C ATOM 1895 CG LEU A 110 5.579 4.984 -11.018 1.00 0.38 C ATOM 1896 CD1 LEU A 110 6.685 6.000 -10.837 1.00 0.82 C ATOM 1897 CD2 LEU A 110 4.572 5.479 -12.041 1.00 0.82 C ATOM 0 H LEU A 110 8.551 4.148 -11.650 1.00 0.30 H new ATOM 0 HA LEU A 110 6.972 3.302 -9.476 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.581 3.727 -12.434 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.320 2.919 -11.524 1.00 0.30 H new ATOM 0 HG LEU A 110 5.074 4.857 -10.061 1.00 0.38 H new ATOM 0 HD11 LEU A 110 6.255 6.956 -10.537 1.00 0.82 H new ATOM 0 HD12 LEU A 110 7.374 5.654 -10.067 1.00 0.82 H new ATOM 0 HD13 LEU A 110 7.223 6.123 -11.777 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.179 6.446 -11.726 1.00 0.82 H new ATOM 0 HD22 LEU A 110 5.060 5.584 -13.010 1.00 0.82 H new ATOM 0 HD23 LEU A 110 3.754 4.763 -12.122 1.00 0.82 H new ATOM 1909 N LYS A 111 7.719 0.973 -11.700 1.00 0.28 N ATOM 1910 CA LYS A 111 7.707 -0.471 -11.916 1.00 0.31 C ATOM 1911 C LYS A 111 8.469 -1.180 -10.798 1.00 0.33 C ATOM 1912 O LYS A 111 8.069 -2.246 -10.340 1.00 0.35 O ATOM 1913 CB LYS A 111 8.309 -0.831 -13.286 1.00 0.37 C ATOM 1914 CG LYS A 111 9.814 -0.664 -13.371 1.00 0.93 C ATOM 1915 CD LYS A 111 10.358 -1.032 -14.743 1.00 0.92 C ATOM 1916 CE LYS A 111 9.729 -0.197 -15.849 1.00 1.02 C ATOM 1917 NZ LYS A 111 10.501 -0.296 -17.116 1.00 1.74 N ATOM 0 H LYS A 111 8.165 1.511 -12.443 1.00 0.28 H new ATOM 0 HA LYS A 111 6.670 -0.807 -11.904 1.00 0.31 H new ATOM 0 HB2 LYS A 111 8.056 -1.865 -13.520 1.00 0.37 H new ATOM 0 HB3 LYS A 111 7.843 -0.208 -14.049 1.00 0.37 H new ATOM 0 HG2 LYS A 111 10.076 0.369 -13.144 1.00 0.93 H new ATOM 0 HG3 LYS A 111 10.290 -1.288 -12.614 1.00 0.93 H new ATOM 0 HD2 LYS A 111 11.439 -0.892 -14.754 1.00 0.92 H new ATOM 0 HD3 LYS A 111 10.171 -2.088 -14.936 1.00 0.92 H new ATOM 0 HE2 LYS A 111 8.705 -0.530 -16.019 1.00 1.02 H new ATOM 0 HE3 LYS A 111 9.677 0.845 -15.534 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 9.959 0.142 -17.888 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 11.410 0.197 -17.008 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 10.674 -1.297 -17.340 1.00 1.74 H new ATOM 1931 N ALA A 112 9.572 -0.568 -10.365 1.00 0.36 N ATOM 1932 CA ALA A 112 10.385 -1.105 -9.284 1.00 0.42 C ATOM 1933 C ALA A 112 9.661 -1.006 -7.948 1.00 0.43 C ATOM 1934 O ALA A 112 9.714 -1.929 -7.135 1.00 0.47 O ATOM 1935 CB ALA A 112 11.715 -0.372 -9.217 1.00 0.46 C ATOM 0 H ALA A 112 9.921 0.308 -10.754 1.00 0.36 H new ATOM 0 HA ALA A 112 10.568 -2.160 -9.490 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.316 -0.782 -8.405 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.247 -0.496 -10.160 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.537 0.688 -9.038 1.00 0.46 H new ATOM 1941 N SER A 113 8.995 0.120 -7.730 1.00 0.41 N ATOM 1942 CA SER A 113 8.225 0.338 -6.514 1.00 0.45 C ATOM 1943 C SER A 113 7.205 -0.773 -6.310 1.00 0.40 C ATOM 1944 O SER A 113 7.122 -1.359 -5.229 1.00 0.44 O ATOM 1945 CB SER A 113 7.516 1.689 -6.580 1.00 0.54 C ATOM 1946 OG SER A 113 6.865 2.005 -5.361 1.00 1.34 O ATOM 0 H SER A 113 8.973 0.902 -8.385 1.00 0.41 H new ATOM 0 HA SER A 113 8.913 0.332 -5.668 1.00 0.45 H new ATOM 0 HB2 SER A 113 8.241 2.468 -6.817 1.00 0.54 H new ATOM 0 HB3 SER A 113 6.786 1.676 -7.389 1.00 0.54 H new ATOM 0 HG SER A 113 5.908 1.807 -5.440 1.00 1.34 H new ATOM 1952 N VAL A 114 6.455 -1.098 -7.357 1.00 0.36 N ATOM 1953 CA VAL A 114 5.411 -2.097 -7.242 1.00 0.36 C ATOM 1954 C VAL A 114 6.036 -3.492 -7.244 1.00 0.35 C ATOM 1955 O VAL A 114 5.501 -4.436 -6.671 1.00 0.37 O ATOM 1956 CB VAL A 114 4.381 -1.964 -8.394 1.00 0.36 C ATOM 1957 CG1 VAL A 114 3.969 -0.508 -8.585 1.00 0.65 C ATOM 1958 CG2 VAL A 114 4.917 -2.543 -9.693 1.00 0.56 C ATOM 0 H VAL A 114 6.552 -0.686 -8.285 1.00 0.36 H new ATOM 0 HA VAL A 114 4.881 -1.940 -6.303 1.00 0.36 H new ATOM 0 HB VAL A 114 3.499 -2.540 -8.114 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.246 -0.438 -9.398 1.00 0.65 H new ATOM 0 HG12 VAL A 114 3.519 -0.134 -7.666 1.00 0.65 H new ATOM 0 HG13 VAL A 114 4.847 0.090 -8.828 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.168 -2.432 -10.477 1.00 0.56 H new ATOM 0 HG22 VAL A 114 5.825 -2.013 -9.980 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.143 -3.600 -9.554 1.00 0.56 H new ATOM 1962 N LYS A 115 7.189 -3.595 -7.898 1.00 0.35 N ATOM 1963 CA LYS A 115 7.948 -4.829 -7.976 1.00 0.37 C ATOM 1964 C LYS A 115 8.338 -5.337 -6.596 1.00 0.35 C ATOM 1965 O LYS A 115 8.200 -6.523 -6.313 1.00 0.37 O ATOM 1966 CB LYS A 115 9.203 -4.590 -8.813 1.00 0.48 C ATOM 1967 CG LYS A 115 9.986 -5.847 -9.129 1.00 0.84 C ATOM 1968 CD LYS A 115 11.263 -5.524 -9.890 1.00 0.81 C ATOM 1969 CE LYS A 115 10.976 -5.060 -11.310 1.00 1.16 C ATOM 1970 NZ LYS A 115 10.641 -6.195 -12.211 1.00 1.72 N ATOM 0 H LYS A 115 7.623 -2.815 -8.392 1.00 0.35 H new ATOM 0 HA LYS A 115 7.321 -5.589 -8.442 1.00 0.37 H new ATOM 0 HB2 LYS A 115 8.916 -4.109 -9.748 1.00 0.48 H new ATOM 0 HB3 LYS A 115 9.853 -3.894 -8.283 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.233 -6.367 -8.203 1.00 0.84 H new ATOM 0 HG3 LYS A 115 9.369 -6.524 -9.720 1.00 0.84 H new ATOM 0 HD2 LYS A 115 11.815 -4.748 -9.359 1.00 0.81 H new ATOM 0 HD3 LYS A 115 11.902 -6.407 -9.919 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.149 -4.350 -11.299 1.00 1.16 H new ATOM 0 HE3 LYS A 115 11.845 -4.531 -11.701 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 9.857 -5.921 -12.837 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 11.473 -6.440 -12.785 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 10.358 -7.018 -11.642 1.00 1.72 H new ATOM 1984 N GLU A 116 8.815 -4.453 -5.729 1.00 0.36 N ATOM 1985 CA GLU A 116 9.267 -4.891 -4.416 1.00 0.38 C ATOM 1986 C GLU A 116 8.095 -5.301 -3.538 1.00 0.37 C ATOM 1987 O GLU A 116 8.207 -6.243 -2.761 1.00 0.38 O ATOM 1988 CB GLU A 116 10.115 -3.834 -3.713 1.00 0.43 C ATOM 1989 CG GLU A 116 11.397 -3.498 -4.444 1.00 0.80 C ATOM 1990 CD GLU A 116 12.458 -2.940 -3.520 1.00 1.30 C ATOM 1991 OE1 GLU A 116 13.075 -3.721 -2.765 1.00 1.32 O ATOM 1992 OE2 GLU A 116 12.686 -1.711 -3.551 1.00 2.27 O ATOM 0 H GLU A 116 8.898 -3.452 -5.905 1.00 0.36 H new ATOM 0 HA GLU A 116 9.900 -5.763 -4.580 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.524 -2.925 -3.597 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.360 -4.185 -2.711 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.779 -4.394 -4.933 1.00 0.80 H new ATOM 0 HG3 GLU A 116 11.185 -2.773 -5.229 1.00 0.80 H new ATOM 1999 N VAL A 117 6.963 -4.635 -3.681 1.00 0.36 N ATOM 2000 CA VAL A 117 5.778 -5.026 -2.928 1.00 0.38 C ATOM 2001 C VAL A 117 5.266 -6.375 -3.435 1.00 0.38 C ATOM 2002 O VAL A 117 4.594 -7.109 -2.718 1.00 0.43 O ATOM 2003 CB VAL A 117 4.655 -3.960 -2.985 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.237 -2.561 -2.874 1.00 0.81 C ATOM 2005 CG2 VAL A 117 3.805 -4.092 -4.234 1.00 0.78 C ATOM 0 H VAL A 117 6.836 -3.834 -4.300 1.00 0.36 H new ATOM 0 HA VAL A 117 6.070 -5.114 -1.881 1.00 0.38 H new ATOM 0 HB VAL A 117 4.000 -4.134 -2.131 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.432 -1.828 -2.916 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.769 -2.462 -1.928 1.00 0.81 H new ATOM 0 HG13 VAL A 117 5.929 -2.388 -3.698 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.031 -3.324 -4.230 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.433 -3.970 -5.116 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.339 -5.077 -4.254 1.00 0.78 H new ATOM 2009 N LEU A 118 5.621 -6.717 -4.661 1.00 0.36 N ATOM 2010 CA LEU A 118 5.304 -8.034 -5.193 1.00 0.36 C ATOM 2011 C LEU A 118 6.345 -9.050 -4.753 1.00 0.36 C ATOM 2012 O LEU A 118 6.012 -10.196 -4.452 1.00 0.38 O ATOM 2013 CB LEU A 118 5.225 -7.996 -6.721 1.00 0.41 C ATOM 2014 CG LEU A 118 4.070 -7.184 -7.306 1.00 0.49 C ATOM 2015 CD1 LEU A 118 4.399 -6.763 -8.722 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.784 -7.993 -7.298 1.00 0.88 C ATOM 0 H LEU A 118 6.125 -6.107 -5.304 1.00 0.36 H new ATOM 0 HA LEU A 118 4.332 -8.332 -4.801 1.00 0.36 H new ATOM 0 HB2 LEU A 118 6.161 -7.590 -7.105 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.147 -9.019 -7.088 1.00 0.41 H new ATOM 0 HG LEU A 118 3.927 -6.297 -6.688 1.00 0.49 H new ATOM 0 HD11 LEU A 118 3.571 -6.185 -9.131 1.00 1.21 H new ATOM 0 HD12 LEU A 118 5.302 -6.152 -8.720 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.562 -7.649 -9.336 1.00 1.21 H new ATOM 0 HD21 LEU A 118 1.975 -7.395 -7.719 1.00 0.88 H new ATOM 0 HD22 LEU A 118 2.918 -8.895 -7.896 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.535 -8.270 -6.274 1.00 0.88 H new ATOM 2028 N LYS A 119 7.599 -8.617 -4.691 1.00 0.36 N ATOM 2029 CA LYS A 119 8.691 -9.464 -4.256 1.00 0.37 C ATOM 2030 C LYS A 119 8.410 -9.962 -2.849 1.00 0.36 C ATOM 2031 O LYS A 119 8.667 -11.117 -2.510 1.00 0.38 O ATOM 2032 CB LYS A 119 9.996 -8.663 -4.300 1.00 0.39 C ATOM 2033 CG LYS A 119 11.156 -9.325 -3.582 1.00 0.43 C ATOM 2034 CD LYS A 119 12.438 -8.511 -3.706 1.00 0.67 C ATOM 2035 CE LYS A 119 12.291 -7.114 -3.114 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.538 -6.317 -3.257 1.00 0.95 N ATOM 0 H LYS A 119 7.882 -7.670 -4.942 1.00 0.36 H new ATOM 0 HA LYS A 119 8.787 -10.326 -4.916 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.274 -8.499 -5.341 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.822 -7.682 -3.858 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.907 -9.452 -2.529 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.317 -10.321 -3.994 1.00 0.43 H new ATOM 0 HD2 LYS A 119 13.249 -9.035 -3.201 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.716 -8.431 -4.757 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.470 -6.595 -3.608 1.00 0.57 H new ATOM 0 HE3 LYS A 119 12.029 -7.193 -2.059 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.330 -5.313 -3.082 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 14.244 -6.650 -2.569 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.914 -6.430 -4.220 1.00 0.95 H new ATOM 2050 N LEU A 120 7.868 -9.070 -2.042 1.00 0.36 N ATOM 2051 CA LEU A 120 7.445 -9.413 -0.715 1.00 0.37 C ATOM 2052 C LEU A 120 6.178 -10.251 -0.716 1.00 0.36 C ATOM 2053 O LEU A 120 6.132 -11.293 -0.059 1.00 0.38 O ATOM 2054 CB LEU A 120 7.240 -8.152 0.112 1.00 0.39 C ATOM 2055 CG LEU A 120 8.512 -7.616 0.759 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.492 -7.103 -0.279 1.00 1.06 C ATOM 2057 CD2 LEU A 120 8.181 -6.542 1.774 1.00 0.99 C ATOM 0 H LEU A 120 7.713 -8.094 -2.294 1.00 0.36 H new ATOM 0 HA LEU A 120 8.234 -10.017 -0.267 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.816 -7.377 -0.527 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.508 -8.358 0.893 1.00 0.39 H new ATOM 0 HG LEU A 120 8.995 -8.443 1.280 1.00 0.42 H new ATOM 0 HD11 LEU A 120 10.387 -6.729 0.219 1.00 1.06 H new ATOM 0 HD12 LEU A 120 9.765 -7.914 -0.954 1.00 1.06 H new ATOM 0 HD13 LEU A 120 9.030 -6.297 -0.849 1.00 1.06 H new ATOM 0 HD21 LEU A 120 9.102 -6.172 2.225 1.00 0.99 H new ATOM 0 HD22 LEU A 120 7.664 -5.720 1.279 1.00 0.99 H new ATOM 0 HD23 LEU A 120 7.539 -6.960 2.550 1.00 0.99 H new ATOM 2069 N TYR A 121 5.149 -9.830 -1.460 1.00 0.35 N ATOM 2070 CA TYR A 121 3.854 -10.467 -1.296 1.00 0.36 C ATOM 2071 C TYR A 121 3.863 -11.893 -1.853 1.00 0.38 C ATOM 2072 O TYR A 121 3.232 -12.784 -1.287 1.00 0.41 O ATOM 2073 CB TYR A 121 2.697 -9.627 -1.873 1.00 0.37 C ATOM 2074 CG TYR A 121 1.921 -10.320 -2.976 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.918 -11.220 -2.667 1.00 0.84 C ATOM 2076 CD2 TYR A 121 2.171 -10.052 -4.318 1.00 0.74 C ATOM 2077 CE1 TYR A 121 0.184 -11.838 -3.651 1.00 1.13 C ATOM 2078 CE2 TYR A 121 1.432 -10.662 -5.313 1.00 1.05 C ATOM 2079 CZ TYR A 121 0.563 -11.620 -5.015 1.00 1.23 C ATOM 2080 OH TYR A 121 -0.314 -12.156 -5.945 1.00 1.54 O ATOM 0 H TYR A 121 5.189 -9.082 -2.152 1.00 0.35 H new ATOM 0 HA TYR A 121 3.669 -10.532 -0.224 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.011 -9.370 -1.066 1.00 0.37 H new ATOM 0 HB3 TYR A 121 3.099 -8.690 -2.259 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.707 -11.442 -1.631 1.00 0.84 H new ATOM 0 HD2 TYR A 121 2.954 -9.357 -4.586 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -0.655 -12.471 -3.403 1.00 1.13 H new ATOM 0 HE2 TYR A 121 1.562 -10.357 -6.341 1.00 1.05 H new ATOM 0 HH TYR A 121 -1.060 -12.589 -5.480 1.00 1.54 H new ATOM 2090 N LYS A 122 4.597 -12.112 -2.943 1.00 0.40 N ATOM 2091 CA LYS A 122 4.685 -13.438 -3.552 1.00 0.45 C ATOM 2092 C LYS A 122 5.299 -14.437 -2.576 1.00 0.43 C ATOM 2093 O LYS A 122 4.940 -15.614 -2.564 1.00 0.46 O ATOM 2094 CB LYS A 122 5.529 -13.401 -4.834 1.00 0.52 C ATOM 2095 CG LYS A 122 4.883 -12.654 -5.996 1.00 0.60 C ATOM 2096 CD LYS A 122 3.581 -13.308 -6.437 1.00 1.21 C ATOM 2097 CE LYS A 122 3.027 -12.654 -7.694 1.00 1.27 C ATOM 2098 NZ LYS A 122 1.662 -13.148 -8.018 1.00 1.98 N ATOM 0 H LYS A 122 5.138 -11.391 -3.421 1.00 0.40 H new ATOM 0 HA LYS A 122 3.672 -13.752 -3.803 1.00 0.45 H new ATOM 0 HB2 LYS A 122 6.489 -12.936 -4.609 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.736 -14.424 -5.147 1.00 0.52 H new ATOM 0 HG2 LYS A 122 4.690 -11.622 -5.702 1.00 0.60 H new ATOM 0 HG3 LYS A 122 5.576 -12.621 -6.837 1.00 0.60 H new ATOM 0 HD2 LYS A 122 3.750 -14.369 -6.622 1.00 1.21 H new ATOM 0 HD3 LYS A 122 2.847 -13.237 -5.635 1.00 1.21 H new ATOM 0 HE2 LYS A 122 3.000 -11.573 -7.559 1.00 1.27 H new ATOM 0 HE3 LYS A 122 3.694 -12.854 -8.532 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 1.380 -12.799 -8.956 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 1.661 -14.188 -8.021 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 0.989 -12.803 -7.304 1.00 1.98 H new ATOM 2112 N ALA A 123 6.211 -13.942 -1.752 1.00 0.42 N ATOM 2113 CA ALA A 123 6.944 -14.779 -0.811 1.00 0.43 C ATOM 2114 C ALA A 123 6.239 -14.893 0.542 1.00 0.43 C ATOM 2115 O ALA A 123 6.725 -15.590 1.435 1.00 0.70 O ATOM 2116 CB ALA A 123 8.346 -14.226 -0.621 1.00 0.49 C ATOM 0 H ALA A 123 6.463 -12.954 -1.716 1.00 0.42 H new ATOM 0 HA ALA A 123 6.992 -15.783 -1.233 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.892 -14.854 0.083 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.867 -14.217 -1.579 1.00 0.49 H new ATOM 0 HB3 ALA A 123 8.287 -13.210 -0.231 1.00 0.49 H new ATOM 2122 N MET A 124 5.108 -14.218 0.711 1.00 0.44 N ATOM 2123 CA MET A 124 4.378 -14.306 1.973 1.00 0.42 C ATOM 2124 C MET A 124 3.654 -15.637 2.094 1.00 0.42 C ATOM 2125 O MET A 124 3.384 -16.302 1.093 1.00 0.42 O ATOM 2126 CB MET A 124 3.358 -13.178 2.117 1.00 0.41 C ATOM 2127 CG MET A 124 3.970 -11.804 2.309 1.00 0.45 C ATOM 2128 SD MET A 124 2.780 -10.616 2.960 1.00 0.50 S ATOM 2129 CE MET A 124 1.457 -10.741 1.756 1.00 0.46 C ATOM 0 H MET A 124 4.682 -13.615 0.007 1.00 0.44 H new ATOM 0 HA MET A 124 5.119 -14.217 2.767 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.726 -13.160 1.229 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.710 -13.396 2.966 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.818 -11.877 2.990 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.357 -11.444 1.356 1.00 0.45 H new ATOM 0 HE1 MET A 124 1.010 -9.759 1.603 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.858 -11.108 0.811 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.697 -11.432 2.121 1.00 0.46 H new ATOM 2139 N SER A 125 3.350 -16.027 3.324 1.00 0.47 N ATOM 2140 CA SER A 125 2.536 -17.203 3.570 1.00 0.54 C ATOM 2141 C SER A 125 1.135 -17.010 2.993 1.00 0.58 C ATOM 2142 O SER A 125 0.633 -15.884 2.948 1.00 0.92 O ATOM 2143 CB SER A 125 2.462 -17.482 5.069 1.00 0.62 C ATOM 2144 OG SER A 125 3.759 -17.622 5.623 1.00 1.18 O ATOM 0 H SER A 125 3.657 -15.543 4.168 1.00 0.47 H new ATOM 0 HA SER A 125 2.996 -18.059 3.076 1.00 0.54 H new ATOM 0 HB2 SER A 125 1.935 -16.669 5.568 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.887 -18.391 5.246 1.00 0.62 H new ATOM 0 HG SER A 125 3.687 -17.798 6.584 1.00 1.18 H new ATOM 2150 N ASP A 126 0.503 -18.092 2.563 1.00 0.44 N ATOM 2151 CA ASP A 126 -0.789 -18.006 1.883 1.00 0.43 C ATOM 2152 C ASP A 126 -1.845 -17.345 2.767 1.00 0.39 C ATOM 2153 O ASP A 126 -2.591 -16.474 2.309 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.249 -19.394 1.434 1.00 0.47 C ATOM 2155 CG ASP A 126 -2.672 -19.405 0.917 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -2.880 -19.073 -0.267 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -3.592 -19.732 1.692 1.00 1.81 O ATOM 0 H ASP A 126 0.860 -19.041 2.671 1.00 0.44 H new ATOM 0 HA ASP A 126 -0.661 -17.379 1.001 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -0.581 -19.757 0.653 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -1.167 -20.087 2.271 1.00 0.47 H new ATOM 2162 N ALA A 127 -1.878 -17.722 4.039 1.00 0.38 N ATOM 2163 CA ALA A 127 -2.829 -17.139 4.981 1.00 0.37 C ATOM 2164 C ALA A 127 -2.592 -15.640 5.142 1.00 0.33 C ATOM 2165 O ALA A 127 -3.509 -14.888 5.474 1.00 0.34 O ATOM 2166 CB ALA A 127 -2.742 -17.836 6.326 1.00 0.42 C ATOM 0 H ALA A 127 -1.260 -18.426 4.442 1.00 0.38 H new ATOM 0 HA ALA A 127 -3.832 -17.282 4.579 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.458 -17.388 7.015 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -2.971 -18.895 6.203 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -1.735 -17.727 6.728 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.361 -15.216 4.899 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.035 -13.807 4.968 1.00 0.31 C ATOM 2174 C GLY A 128 -1.503 -13.065 3.733 1.00 0.29 C ATOM 2175 O GLY A 128 -1.968 -11.930 3.820 1.00 0.30 O ATOM 0 H GLY A 128 -0.580 -15.825 4.655 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.497 -13.369 5.853 1.00 0.31 H new ATOM 0 HA3 GLY A 128 0.043 -13.687 5.078 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.403 -13.726 2.584 1.00 0.32 N ATOM 2180 CA LYS A 129 -1.828 -13.135 1.320 1.00 0.39 C ATOM 2181 C LYS A 129 -3.333 -12.913 1.329 1.00 0.35 C ATOM 2182 O LYS A 129 -3.830 -11.858 0.929 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.465 -14.054 0.150 1.00 0.56 C ATOM 2184 CG LYS A 129 0.024 -14.312 -0.009 1.00 0.58 C ATOM 2185 CD LYS A 129 0.287 -15.260 -1.168 1.00 0.59 C ATOM 2186 CE LYS A 129 1.772 -15.506 -1.373 1.00 0.94 C ATOM 2187 NZ LYS A 129 2.030 -16.441 -2.498 1.00 1.32 N ATOM 0 H LYS A 129 -1.031 -14.672 2.502 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.316 -12.180 1.199 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -1.974 -15.009 0.282 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -1.846 -13.615 -0.772 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.545 -13.370 -0.179 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.425 -14.736 0.912 1.00 0.58 H new ATOM 0 HD2 LYS A 129 -0.216 -16.209 -0.982 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.142 -14.846 -2.080 1.00 0.59 H new ATOM 0 HE2 LYS A 129 2.273 -14.558 -1.567 1.00 0.94 H new ATOM 0 HE3 LYS A 129 2.202 -15.912 -0.458 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 3.036 -16.401 -2.759 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 1.786 -17.409 -2.208 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 1.449 -16.168 -3.316 1.00 1.32 H new ATOM 2201 N ALA A 130 -4.050 -13.934 1.783 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.500 -13.897 1.856 1.00 0.37 C ATOM 2203 C ALA A 130 -5.986 -12.855 2.855 1.00 0.33 C ATOM 2204 O ALA A 130 -6.939 -12.127 2.581 1.00 0.38 O ATOM 2205 CB ALA A 130 -6.037 -15.271 2.223 1.00 0.42 C ATOM 0 H ALA A 130 -3.640 -14.809 2.110 1.00 0.35 H new ATOM 0 HA ALA A 130 -5.878 -13.613 0.874 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.125 -15.234 2.276 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -5.735 -15.994 1.466 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.637 -15.571 3.191 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.317 -12.765 4.001 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.758 -11.862 5.064 1.00 0.29 C ATOM 2213 C ASP A 131 -5.497 -10.420 4.658 1.00 0.27 C ATOM 2214 O ASP A 131 -6.251 -9.513 5.014 1.00 0.30 O ATOM 2215 CB ASP A 131 -5.060 -12.207 6.383 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.586 -11.425 7.571 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.784 -11.562 7.899 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.817 -10.626 8.146 1.00 0.45 O ATOM 0 H ASP A 131 -4.476 -13.300 4.218 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.830 -11.984 5.217 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -5.178 -13.273 6.579 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.991 -12.019 6.279 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.442 -10.220 3.878 1.00 0.24 N ATOM 2224 CA PHE A 132 -4.156 -8.919 3.291 1.00 0.22 C ATOM 2225 C PHE A 132 -5.293 -8.499 2.365 1.00 0.23 C ATOM 2226 O PHE A 132 -5.573 -7.315 2.209 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.829 -8.965 2.522 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.482 -7.681 1.820 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.987 -6.598 2.529 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.650 -7.558 0.450 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.669 -5.418 1.885 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.333 -6.381 -0.199 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.841 -5.310 0.519 1.00 0.36 C ATOM 0 H PHE A 132 -3.768 -10.947 3.637 1.00 0.24 H new ATOM 0 HA PHE A 132 -4.069 -8.184 4.091 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -2.027 -9.215 3.217 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.875 -9.768 1.786 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.848 -6.677 3.597 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -3.034 -8.393 -0.117 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -1.286 -4.581 2.449 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.470 -6.299 -1.267 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.591 -4.389 0.013 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.965 -9.483 1.781 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.054 -9.203 0.869 1.00 0.24 C ATOM 2245 C GLY A 133 -8.295 -8.702 1.576 1.00 0.23 C ATOM 2246 O GLY A 133 -9.143 -8.051 0.968 1.00 0.27 O ATOM 0 H GLY A 133 -5.773 -10.474 1.925 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.730 -8.459 0.141 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.298 -10.108 0.313 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.408 -9.004 2.861 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.556 -8.592 3.640 1.00 0.29 C ATOM 2252 C LYS A 134 -9.382 -7.158 4.094 1.00 0.30 C ATOM 2253 O LYS A 134 -10.335 -6.386 4.176 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.691 -9.501 4.854 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.521 -10.969 4.526 1.00 0.63 C ATOM 2256 CD LYS A 134 -10.524 -11.431 3.490 1.00 1.29 C ATOM 2257 CE LYS A 134 -10.124 -12.778 2.933 1.00 1.61 C ATOM 2258 NZ LYS A 134 -11.082 -13.264 1.907 1.00 2.43 N ATOM 0 H LYS A 134 -7.712 -9.536 3.384 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.455 -8.664 3.027 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.948 -9.214 5.598 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.671 -9.348 5.306 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -8.510 -11.145 4.158 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -9.637 -11.561 5.434 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -11.516 -11.496 3.938 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -10.586 -10.701 2.683 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -9.128 -12.708 2.495 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -10.064 -13.503 3.745 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -10.770 -14.190 1.552 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -12.027 -13.356 2.331 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -11.120 -12.586 1.119 1.00 2.43 H new ATOM 2272 N GLN A 135 -8.142 -6.823 4.383 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.799 -5.510 4.908 1.00 0.31 C ATOM 2274 C GLN A 135 -7.495 -4.533 3.771 1.00 0.30 C ATOM 2275 O GLN A 135 -7.846 -3.356 3.848 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.610 -5.626 5.870 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.681 -6.847 6.788 1.00 0.51 C ATOM 2278 CD GLN A 135 -8.016 -7.009 7.505 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -8.441 -8.126 7.802 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.686 -5.906 7.796 1.00 0.75 N ATOM 0 H GLN A 135 -7.344 -7.447 4.263 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.653 -5.117 5.460 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.688 -5.671 5.291 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -6.559 -4.725 6.481 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -6.486 -7.743 6.199 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -5.887 -6.776 7.532 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -8.307 -4.995 7.536 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.582 -5.966 8.280 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.858 -5.026 2.716 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.594 -4.219 1.526 1.00 0.26 C ATOM 2291 C PHE A 136 -7.034 -4.966 0.267 1.00 0.23 C ATOM 2292 O PHE A 136 -6.212 -5.539 -0.452 1.00 0.24 O ATOM 2293 CB PHE A 136 -5.109 -3.848 1.432 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.693 -2.791 2.416 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -5.213 -1.510 2.324 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.796 -3.074 3.436 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.846 -0.532 3.224 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.430 -2.101 4.337 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.953 -0.830 4.233 1.00 0.58 C ATOM 0 H PHE A 136 -6.513 -5.984 2.658 1.00 0.26 H new ATOM 0 HA PHE A 136 -7.171 -3.298 1.608 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.508 -4.742 1.595 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.893 -3.499 0.422 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.915 -1.275 1.537 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.381 -4.067 3.523 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -5.256 0.464 3.140 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.732 -2.333 5.127 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.664 -0.067 4.941 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.346 -4.951 -0.015 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.936 -5.704 -1.127 1.00 0.30 C ATOM 2311 C PRO A 137 -8.463 -5.221 -2.497 1.00 0.29 C ATOM 2312 O PRO A 137 -8.240 -6.026 -3.399 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.445 -5.461 -0.978 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.626 -4.939 0.407 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.365 -4.198 0.732 1.00 0.34 C ATOM 0 HA PRO A 137 -8.648 -6.754 -1.083 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.803 -4.745 -1.718 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -11.008 -6.382 -1.128 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.493 -4.281 0.467 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.794 -5.753 1.113 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -9.414 -3.157 0.413 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -9.162 -4.195 1.803 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.297 -3.911 -2.642 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.951 -3.325 -3.934 1.00 0.36 C ATOM 2325 C PHE A 138 -6.527 -3.702 -4.330 1.00 0.35 C ATOM 2326 O PHE A 138 -6.248 -3.971 -5.497 1.00 0.36 O ATOM 2327 CB PHE A 138 -8.106 -1.800 -3.895 1.00 0.43 C ATOM 2328 CG PHE A 138 -8.056 -1.146 -5.251 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -9.207 -0.981 -6.004 1.00 1.21 C ATOM 2330 CD2 PHE A 138 -6.851 -0.699 -5.771 1.00 1.56 C ATOM 2331 CE1 PHE A 138 -9.157 -0.385 -7.249 1.00 1.88 C ATOM 2332 CE2 PHE A 138 -6.796 -0.101 -7.016 1.00 2.23 C ATOM 2333 CZ PHE A 138 -7.975 0.065 -7.752 1.00 2.31 C ATOM 0 H PHE A 138 -8.396 -3.236 -1.884 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.636 -3.723 -4.682 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -9.055 -1.553 -3.418 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -7.317 -1.380 -3.271 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -10.154 -1.322 -5.613 1.00 1.21 H new ATOM 0 HD2 PHE A 138 -5.944 -0.819 -5.196 1.00 1.56 H new ATOM 0 HE1 PHE A 138 -10.062 -0.275 -7.828 1.00 1.88 H new ATOM 0 HE2 PHE A 138 -5.851 0.235 -7.417 1.00 2.23 H new ATOM 0 HZ PHE A 138 -7.947 0.549 -8.717 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.632 -3.738 -3.352 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.250 -4.109 -3.612 1.00 0.36 C ATOM 2345 C LEU A 139 -4.119 -5.612 -3.817 1.00 0.33 C ATOM 2346 O LEU A 139 -3.443 -6.053 -4.744 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.330 -3.637 -2.485 1.00 0.40 C ATOM 2348 CG LEU A 139 -3.003 -2.143 -2.493 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -2.215 -1.766 -1.248 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.218 -1.780 -3.748 1.00 0.86 C ATOM 0 H LEU A 139 -5.837 -3.516 -2.378 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.941 -3.611 -4.531 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.794 -3.886 -1.531 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.397 -4.197 -2.541 1.00 0.40 H new ATOM 0 HG LEU A 139 -3.938 -1.583 -2.493 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.990 -0.700 -1.269 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.805 -1.995 -0.361 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -1.284 -2.333 -1.221 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -1.992 -0.714 -3.740 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.288 -2.348 -3.772 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -2.812 -2.019 -4.630 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.781 -6.396 -2.971 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.766 -7.848 -3.121 1.00 0.28 C ATOM 2364 C ALA A 140 -5.315 -8.235 -4.487 1.00 0.28 C ATOM 2365 O ALA A 140 -4.827 -9.167 -5.125 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.563 -8.511 -2.014 1.00 0.25 C ATOM 0 H ALA A 140 -5.330 -6.055 -2.182 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.736 -8.196 -3.047 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.538 -9.593 -2.146 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.129 -8.253 -1.048 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.596 -8.164 -2.052 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.329 -7.494 -4.920 1.00 0.26 N ATOM 2373 CA LYS A 141 -6.871 -7.597 -6.266 1.00 0.27 C ATOM 2374 C LYS A 141 -5.767 -7.574 -7.317 1.00 0.29 C ATOM 2375 O LYS A 141 -5.492 -8.577 -7.980 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.813 -6.415 -6.523 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.509 -6.468 -7.878 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.347 -7.730 -8.037 1.00 1.15 C ATOM 2379 CE LYS A 141 -10.505 -7.767 -7.054 1.00 1.76 C ATOM 2380 NZ LYS A 141 -11.246 -9.054 -7.114 1.00 2.58 N ATOM 0 H LYS A 141 -6.800 -6.800 -4.340 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.404 -8.545 -6.341 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.568 -6.387 -5.738 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.245 -5.487 -6.453 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -9.147 -5.592 -7.993 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -7.763 -6.425 -8.671 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -9.733 -7.784 -9.055 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -8.716 -8.606 -7.888 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -10.127 -7.613 -6.043 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -11.188 -6.945 -7.268 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -12.027 -9.037 -6.428 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -11.629 -9.190 -8.071 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -10.601 -9.837 -6.885 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.142 -6.410 -7.461 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.157 -6.178 -8.499 1.00 0.36 C ATOM 2396 C VAL A 142 -2.924 -7.066 -8.346 1.00 0.37 C ATOM 2397 O VAL A 142 -2.255 -7.376 -9.333 1.00 0.44 O ATOM 2398 CB VAL A 142 -3.738 -4.697 -8.541 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -4.956 -3.800 -8.418 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.736 -4.378 -7.457 1.00 0.48 C ATOM 0 H VAL A 142 -5.308 -5.604 -6.859 1.00 0.31 H new ATOM 0 HA VAL A 142 -4.635 -6.441 -9.442 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.259 -4.511 -9.503 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.644 -2.756 -8.449 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -5.639 -3.999 -9.243 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.461 -4.000 -7.473 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.461 -3.325 -7.514 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.177 -4.585 -6.482 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -1.846 -4.993 -7.591 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.615 -7.474 -7.124 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.452 -8.327 -6.911 1.00 0.36 C ATOM 2406 C PHE A 143 -1.748 -9.751 -7.377 1.00 0.40 C ATOM 2407 O PHE A 143 -1.028 -10.305 -8.208 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.012 -8.342 -5.441 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.541 -7.016 -4.905 1.00 0.34 C ATOM 2410 CD1 PHE A 143 0.012 -6.061 -5.741 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.651 -6.732 -3.552 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.444 -4.848 -5.240 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.220 -5.522 -3.047 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.328 -4.578 -3.892 1.00 0.39 C ATOM 0 H PHE A 143 -3.139 -7.236 -6.282 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.634 -7.912 -7.499 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -1.846 -8.688 -4.831 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.209 -9.070 -5.325 1.00 0.36 H new ATOM 0 HD1 PHE A 143 0.107 -6.267 -6.797 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -1.079 -7.466 -2.886 1.00 0.58 H new ATOM 0 HE1 PHE A 143 0.872 -4.111 -5.903 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.311 -5.314 -1.991 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.665 -3.630 -3.499 1.00 0.39 H new ATOM 2424 N GLU A 144 -2.833 -10.323 -6.858 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.202 -11.707 -7.149 1.00 0.45 C ATOM 2426 C GLU A 144 -3.596 -11.896 -8.607 1.00 0.45 C ATOM 2427 O GLU A 144 -3.369 -12.956 -9.189 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.347 -12.151 -6.240 1.00 0.47 C ATOM 2429 CG GLU A 144 -3.913 -12.431 -4.813 1.00 0.60 C ATOM 2430 CD GLU A 144 -3.116 -13.716 -4.698 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -1.971 -13.763 -5.188 1.00 2.58 O ATOM 2432 OE2 GLU A 144 -3.640 -14.695 -4.132 1.00 1.55 O ATOM 0 H GLU A 144 -3.477 -9.844 -6.228 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.324 -12.325 -6.959 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.115 -11.378 -6.233 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -4.803 -13.050 -6.656 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.311 -11.599 -4.448 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -4.793 -12.493 -4.173 1.00 0.60 H new ATOM 2439 N SER A 145 -4.186 -10.868 -9.198 1.00 0.43 N ATOM 2440 CA SER A 145 -4.598 -10.937 -10.589 1.00 0.49 C ATOM 2441 C SER A 145 -3.391 -10.819 -11.521 1.00 0.57 C ATOM 2442 O SER A 145 -3.511 -11.003 -12.732 1.00 1.32 O ATOM 2443 CB SER A 145 -5.617 -9.833 -10.896 1.00 0.50 C ATOM 2444 OG SER A 145 -6.133 -9.951 -12.213 1.00 1.29 O ATOM 0 H SER A 145 -4.389 -9.981 -8.738 1.00 0.43 H new ATOM 0 HA SER A 145 -5.067 -11.906 -10.759 1.00 0.49 H new ATOM 0 HB2 SER A 145 -6.436 -9.882 -10.178 1.00 0.50 H new ATOM 0 HB3 SER A 145 -5.145 -8.858 -10.775 1.00 0.50 H new ATOM 0 HG SER A 145 -5.510 -10.471 -12.763 1.00 1.29 H new ATOM 2450 N GLY A 146 -2.229 -10.516 -10.949 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.031 -10.337 -11.747 1.00 0.78 C ATOM 2452 C GLY A 146 -1.021 -8.998 -12.452 1.00 0.70 C ATOM 2453 O GLY A 146 -0.208 -8.756 -13.344 1.00 1.09 O ATOM 0 H GLY A 146 -2.097 -10.391 -9.945 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -0.152 -10.417 -11.107 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -0.962 -11.137 -12.484 1.00 0.78 H new ATOM 2457 N LYS A 147 -1.923 -8.123 -12.032 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.077 -6.812 -12.643 1.00 0.48 C ATOM 2459 C LYS A 147 -0.861 -5.940 -12.351 1.00 0.40 C ATOM 2460 O LYS A 147 -0.197 -5.453 -13.265 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.347 -6.152 -12.108 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.656 -4.802 -12.725 1.00 0.83 C ATOM 2463 CD LYS A 147 -4.886 -4.187 -12.087 1.00 1.15 C ATOM 2464 CE LYS A 147 -5.194 -2.825 -12.673 1.00 1.55 C ATOM 2465 NZ LYS A 147 -6.373 -2.201 -12.020 1.00 1.98 N ATOM 0 H LYS A 147 -2.566 -8.301 -11.261 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.158 -6.927 -13.724 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.191 -6.820 -12.282 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.253 -6.032 -11.029 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -2.803 -4.135 -12.598 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -3.815 -4.915 -13.797 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -5.741 -4.848 -12.231 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -4.732 -4.095 -11.012 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -4.327 -2.174 -12.558 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -5.379 -2.922 -13.743 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -6.689 -1.384 -12.581 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -7.144 -2.897 -11.957 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -6.113 -1.884 -11.064 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.560 -5.773 -11.068 1.00 0.33 N ATOM 2480 CA ALA A 148 0.597 -4.991 -10.653 1.00 0.29 C ATOM 2481 C ALA A 148 1.878 -5.682 -11.091 1.00 0.31 C ATOM 2482 O ALA A 148 2.885 -5.036 -11.369 1.00 0.34 O ATOM 2483 CB ALA A 148 0.595 -4.788 -9.148 1.00 0.33 C ATOM 0 H ALA A 148 -1.101 -6.168 -10.299 1.00 0.33 H new ATOM 0 HA ALA A 148 0.543 -4.012 -11.130 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.467 -4.202 -8.859 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.312 -4.259 -8.853 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.628 -5.757 -8.650 1.00 0.33 H new ATOM 2489 N ALA A 149 1.816 -7.004 -11.164 1.00 0.35 N ATOM 2490 CA ALA A 149 2.949 -7.810 -11.586 1.00 0.41 C ATOM 2491 C ALA A 149 3.370 -7.464 -13.012 1.00 0.43 C ATOM 2492 O ALA A 149 4.558 -7.438 -13.334 1.00 0.51 O ATOM 2493 CB ALA A 149 2.605 -9.284 -11.472 1.00 0.48 C ATOM 0 H ALA A 149 0.982 -7.545 -10.933 1.00 0.35 H new ATOM 0 HA ALA A 149 3.792 -7.591 -10.930 1.00 0.41 H new ATOM 0 HB1 ALA A 149 3.459 -9.883 -11.790 1.00 0.48 H new ATOM 0 HB2 ALA A 149 2.361 -9.522 -10.437 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.748 -9.508 -12.107 1.00 0.48 H new ATOM 2499 N LYS A 150 2.388 -7.177 -13.858 1.00 0.41 N ATOM 2500 CA LYS A 150 2.652 -6.833 -15.247 1.00 0.46 C ATOM 2501 C LYS A 150 3.200 -5.413 -15.342 1.00 0.45 C ATOM 2502 O LYS A 150 4.025 -5.110 -16.203 1.00 0.59 O ATOM 2503 CB LYS A 150 1.380 -6.982 -16.081 1.00 0.53 C ATOM 2504 CG LYS A 150 1.607 -6.840 -17.578 1.00 1.16 C ATOM 2505 CD LYS A 150 2.642 -7.828 -18.120 1.00 1.45 C ATOM 2506 CE LYS A 150 2.221 -9.286 -17.954 1.00 1.96 C ATOM 2507 NZ LYS A 150 2.526 -9.826 -16.599 1.00 2.82 N ATOM 0 H LYS A 150 1.400 -7.176 -13.604 1.00 0.41 H new ATOM 0 HA LYS A 150 3.402 -7.517 -15.644 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.938 -7.958 -15.881 1.00 0.53 H new ATOM 0 HB3 LYS A 150 0.656 -6.233 -15.760 1.00 0.53 H new ATOM 0 HG2 LYS A 150 0.662 -6.990 -18.099 1.00 1.16 H new ATOM 0 HG3 LYS A 150 1.934 -5.823 -17.796 1.00 1.16 H new ATOM 0 HD2 LYS A 150 2.813 -7.623 -19.177 1.00 1.45 H new ATOM 0 HD3 LYS A 150 3.591 -7.669 -17.607 1.00 1.45 H new ATOM 0 HE2 LYS A 150 1.151 -9.374 -18.142 1.00 1.96 H new ATOM 0 HE3 LYS A 150 2.728 -9.893 -18.704 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 2.711 -10.847 -16.666 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 3.365 -9.347 -16.215 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 1.715 -9.661 -15.969 1.00 2.82 H new ATOM 2521 N PHE A 151 2.746 -4.555 -14.439 1.00 0.35 N ATOM 2522 CA PHE A 151 3.264 -3.197 -14.337 1.00 0.36 C ATOM 2523 C PHE A 151 4.706 -3.227 -13.835 1.00 0.40 C ATOM 2524 O PHE A 151 5.522 -2.379 -14.198 1.00 0.46 O ATOM 2525 CB PHE A 151 2.385 -2.368 -13.397 1.00 0.34 C ATOM 2526 CG PHE A 151 2.716 -0.903 -13.399 1.00 0.33 C ATOM 2527 CD1 PHE A 151 2.398 -0.108 -14.488 1.00 0.46 C ATOM 2528 CD2 PHE A 151 3.343 -0.322 -12.311 1.00 0.43 C ATOM 2529 CE1 PHE A 151 2.698 1.240 -14.491 1.00 0.49 C ATOM 2530 CE2 PHE A 151 3.645 1.024 -12.307 1.00 0.44 C ATOM 2531 CZ PHE A 151 3.323 1.806 -13.397 1.00 0.39 C ATOM 0 H PHE A 151 2.016 -4.777 -13.763 1.00 0.35 H new ATOM 0 HA PHE A 151 3.248 -2.733 -15.323 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.341 -2.496 -13.682 1.00 0.34 H new ATOM 0 HB3 PHE A 151 2.488 -2.754 -12.383 1.00 0.34 H new ATOM 0 HD1 PHE A 151 1.910 -0.548 -15.345 1.00 0.46 H new ATOM 0 HD2 PHE A 151 3.599 -0.929 -11.455 1.00 0.43 H new ATOM 0 HE1 PHE A 151 2.445 1.850 -15.346 1.00 0.49 H new ATOM 0 HE2 PHE A 151 4.133 1.465 -11.451 1.00 0.44 H new ATOM 0 HZ PHE A 151 3.559 2.860 -13.395 1.00 0.39 H new ATOM 2541 N ALA A 152 5.015 -4.224 -13.012 1.00 0.39 N ATOM 2542 CA ALA A 152 6.375 -4.430 -12.530 1.00 0.44 C ATOM 2543 C ALA A 152 7.274 -4.946 -13.647 1.00 0.52 C ATOM 2544 O ALA A 152 8.501 -4.924 -13.536 1.00 0.59 O ATOM 2545 CB ALA A 152 6.388 -5.399 -11.360 1.00 0.44 C ATOM 0 H ALA A 152 4.339 -4.904 -12.664 1.00 0.39 H new ATOM 0 HA ALA A 152 6.760 -3.468 -12.192 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.412 -5.539 -11.015 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.783 -4.996 -10.547 1.00 0.44 H new ATOM 0 HB3 ALA A 152 5.978 -6.358 -11.677 1.00 0.44 H new ATOM 2551 N GLY A 153 6.651 -5.423 -14.717 1.00 0.65 N ATOM 2552 CA GLY A 153 7.391 -5.870 -15.874 1.00 0.84 C ATOM 2553 C GLY A 153 7.765 -7.335 -15.810 1.00 1.06 C ATOM 2554 O GLY A 153 8.811 -7.728 -16.329 1.00 1.62 O ATOM 0 H GLY A 153 5.638 -5.507 -14.801 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.796 -5.692 -16.770 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.298 -5.273 -15.970 1.00 0.84 H new