USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1150 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 THR OG1 : rot -82:sc= -2.32! USER MOD Set 1.2: A 103 ASN :FLIP amide:sc= 0 F(o=-3.1,f=-2.3) USER MOD Set 2.1: A 96 LYS NZ :NH3+ -125:sc= 0.0938 (180deg=-0.243) USER MOD Set 2.2: A 100 TYR OH : rot -57:sc= 0.0564 USER MOD Set 3.1: A 45 THR OG1 : rot 161:sc= 0.0376 USER MOD Set 3.2: A 67 HIS : no HE2:sc= -0.91 K(o=-0.87,f=-3.6!) USER MOD Set 4.1: A 24 ASN : amide:sc= -0.525 K(o=0.7,f=-8.8!) USER MOD Set 4.2: A 62 LYS NZ :NH3+ 179:sc= 1.23 (180deg=0) USER MOD Set 5.1: A 10 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 113 SER OG : rot -1:sc= 0.909 USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 1.13 (180deg=1.12) USER MOD Single : A 3 TYR OH : rot 180:sc= 0.775 USER MOD Single : A 14 MET CE :methyl 164:sc= -0.0725 (180deg=-0.439) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00183 USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= 2.1 (180deg=1.45) USER MOD Single : A 31 THR OG1 : rot 57:sc= 1.02 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 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= -0.0044 (180deg=-0.0903) USER MOD Single : A 44 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.13) USER MOD Single : A 48 SER OG : rot -45:sc= 0.697 USER MOD Single : A 53 LYS NZ :NH3+ 146:sc= 0.132 (180deg=-1.53!) USER MOD Single : A 54 LYS NZ :NH3+ -164:sc= 0.249 (180deg=-0.228) USER MOD Single : A 55 LYS NZ :NH3+ -160:sc= 0.47 (180deg=0.133) USER MOD Single : A 56 SER OG : rot -150:sc= -0.886 USER MOD Single : A 65 LYS NZ :NH3+ -153:sc= -1.52 (180deg=-2.81!) USER MOD Single : A 69 MET CE :methyl -145:sc= -3.09 (180deg=-4.33!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 169:sc=-0.00663 (180deg=-0.138) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= -0.0219 (180deg=-0.139) USER MOD Single : A 88 SER OG : rot -76:sc= 1.12 USER MOD Single : A 99 TYR OH : rot 165:sc= -0.277 USER MOD Single : A 106 THR OG1 : rot 180:sc=0.000747 USER MOD Single : A 107 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0901) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 175:sc= 1.31 (180deg=1.19) USER MOD Single : A 121 TYR OH : rot 165:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 169:sc= 2.45 (180deg=2.06) USER MOD Single : A 124 MET CE :methyl 157:sc= -1.64 (180deg=-3.53!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -120:sc= 1.14 (180deg=0.2) USER MOD Single : A 134 LYS NZ :NH3+ -147:sc= 1.26 (180deg=1.17) USER MOD Single : A 135 GLN : amide:sc= -0.326 K(o=-0.33,f=-1.7) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 SER OG : rot -58:sc= 0.354 USER MOD Single : A 147 LYS NZ :NH3+ -167:sc= -0.0116 (180deg=-0.199) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 4.590 19.649 -9.169 1.00 1.03 N ATOM 222 CA PHE A 1 3.961 18.358 -9.434 1.00 1.07 C ATOM 223 C PHE A 1 2.466 18.487 -9.733 1.00 0.89 C ATOM 224 O PHE A 1 1.698 19.048 -8.947 1.00 0.81 O ATOM 225 CB PHE A 1 4.207 17.426 -8.235 1.00 1.39 C ATOM 226 CG PHE A 1 3.122 16.414 -7.974 1.00 0.93 C ATOM 227 CD1 PHE A 1 2.891 15.365 -8.849 1.00 1.11 C ATOM 228 CD2 PHE A 1 2.335 16.517 -6.838 1.00 1.15 C ATOM 229 CE1 PHE A 1 1.896 14.442 -8.596 1.00 1.14 C ATOM 230 CE2 PHE A 1 1.339 15.597 -6.579 1.00 1.47 C ATOM 231 CZ PHE A 1 1.118 14.558 -7.461 1.00 1.31 C ATOM 0 H1 PHE A 1 5.601 19.508 -8.972 1.00 1.03 H new ATOM 0 H2 PHE A 1 4.481 20.265 -10.000 1.00 1.03 H new ATOM 0 H3 PHE A 1 4.136 20.094 -8.346 1.00 1.03 H new ATOM 0 HA PHE A 1 4.413 17.934 -10.330 1.00 1.07 H new ATOM 0 HB2 PHE A 1 5.146 16.895 -8.395 1.00 1.39 H new ATOM 0 HB3 PHE A 1 4.334 18.037 -7.341 1.00 1.39 H new ATOM 0 HD1 PHE A 1 3.496 15.268 -9.739 1.00 1.11 H new ATOM 0 HD2 PHE A 1 2.503 17.329 -6.146 1.00 1.15 H new ATOM 0 HE1 PHE A 1 1.726 13.629 -9.286 1.00 1.14 H new ATOM 0 HE2 PHE A 1 0.734 15.690 -5.689 1.00 1.47 H new ATOM 0 HZ PHE A 1 0.338 13.837 -7.264 1.00 1.31 H new ATOM 241 N LYS A 2 2.070 17.961 -10.883 1.00 0.96 N ATOM 242 CA LYS A 2 0.673 17.931 -11.283 1.00 0.98 C ATOM 243 C LYS A 2 0.123 16.519 -11.123 1.00 1.01 C ATOM 244 O LYS A 2 0.755 15.539 -11.510 1.00 1.42 O ATOM 245 CB LYS A 2 0.527 18.408 -12.728 1.00 1.14 C ATOM 246 CG LYS A 2 0.882 19.875 -12.919 1.00 1.62 C ATOM 247 CD LYS A 2 -0.081 20.790 -12.175 1.00 2.02 C ATOM 248 CE LYS A 2 0.290 22.255 -12.346 1.00 2.67 C ATOM 249 NZ LYS A 2 1.587 22.583 -11.695 1.00 3.15 N ATOM 0 H LYS A 2 2.707 17.545 -11.562 1.00 0.96 H new ATOM 0 HA LYS A 2 0.102 18.604 -10.643 1.00 0.98 H new ATOM 0 HB2 LYS A 2 1.166 17.801 -13.369 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -0.500 18.245 -13.055 1.00 1.14 H new ATOM 0 HG2 LYS A 2 1.898 20.052 -12.566 1.00 1.62 H new ATOM 0 HG3 LYS A 2 0.867 20.118 -13.982 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -1.095 20.626 -12.541 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -0.079 20.535 -11.115 1.00 2.02 H new ATOM 0 HE2 LYS A 2 0.348 22.492 -13.408 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -0.496 22.880 -11.922 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 1.809 23.587 -11.850 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 1.520 22.397 -10.674 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 2.340 21.994 -12.105 1.00 3.15 H new ATOM 263 N TYR A 3 -1.071 16.442 -10.548 1.00 0.91 N ATOM 264 CA TYR A 3 -1.651 15.183 -10.092 1.00 0.94 C ATOM 265 C TYR A 3 -1.925 14.216 -11.236 1.00 1.01 C ATOM 266 O TYR A 3 -1.711 13.014 -11.098 1.00 0.90 O ATOM 267 CB TYR A 3 -2.944 15.458 -9.327 1.00 1.02 C ATOM 268 CG TYR A 3 -3.653 14.207 -8.871 1.00 1.12 C ATOM 269 CD1 TYR A 3 -3.037 13.312 -8.009 1.00 1.31 C ATOM 270 CD2 TYR A 3 -4.938 13.921 -9.306 1.00 1.36 C ATOM 271 CE1 TYR A 3 -3.683 12.163 -7.597 1.00 1.62 C ATOM 272 CE2 TYR A 3 -5.589 12.776 -8.900 1.00 1.78 C ATOM 273 CZ TYR A 3 -4.957 11.911 -8.013 1.00 1.87 C ATOM 274 OH TYR A 3 -5.613 10.759 -7.641 1.00 2.35 O ATOM 0 H TYR A 3 -1.667 17.253 -10.384 1.00 0.91 H new ATOM 0 HA TYR A 3 -0.920 14.709 -9.438 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -2.718 16.075 -8.457 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -3.616 16.036 -9.962 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -2.037 13.517 -7.655 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -5.437 14.607 -9.974 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -3.179 11.464 -6.946 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -6.580 12.553 -9.267 1.00 1.78 H new ATOM 0 HH TYR A 3 -6.512 10.753 -8.032 1.00 2.35 H new ATOM 284 N GLU A 4 -2.405 14.727 -12.356 1.00 1.38 N ATOM 285 CA GLU A 4 -2.746 13.871 -13.482 1.00 1.74 C ATOM 286 C GLU A 4 -1.579 13.757 -14.460 1.00 1.24 C ATOM 287 O GLU A 4 -1.751 13.368 -15.614 1.00 1.52 O ATOM 288 CB GLU A 4 -4.008 14.381 -14.178 1.00 2.44 C ATOM 289 CG GLU A 4 -3.996 15.872 -14.452 1.00 3.05 C ATOM 290 CD GLU A 4 -5.280 16.351 -15.091 1.00 3.65 C ATOM 291 OE1 GLU A 4 -5.444 16.171 -16.314 1.00 4.16 O ATOM 292 OE2 GLU A 4 -6.134 16.912 -14.376 1.00 3.95 O ATOM 0 H GLU A 4 -2.567 15.722 -12.511 1.00 1.38 H new ATOM 0 HA GLU A 4 -2.951 12.870 -13.102 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -4.132 13.849 -15.121 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.874 14.141 -13.561 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -3.836 16.409 -13.517 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -3.157 16.112 -15.105 1.00 3.05 H new ATOM 299 N ASP A 5 -0.392 14.093 -13.977 1.00 0.71 N ATOM 300 CA ASP A 5 0.831 13.932 -14.754 1.00 0.73 C ATOM 301 C ASP A 5 1.523 12.636 -14.334 1.00 0.72 C ATOM 302 O ASP A 5 2.589 12.274 -14.835 1.00 0.90 O ATOM 303 CB ASP A 5 1.750 15.142 -14.545 1.00 1.07 C ATOM 304 CG ASP A 5 2.974 15.125 -15.441 1.00 1.83 C ATOM 305 OD1 ASP A 5 2.892 14.601 -16.572 1.00 2.15 O ATOM 306 OD2 ASP A 5 4.022 15.667 -15.026 1.00 2.57 O ATOM 0 H ASP A 5 -0.248 14.481 -13.045 1.00 0.71 H new ATOM 0 HA ASP A 5 0.591 13.874 -15.816 1.00 0.73 H new ATOM 0 HB2 ASP A 5 1.185 16.055 -14.730 1.00 1.07 H new ATOM 0 HB3 ASP A 5 2.070 15.171 -13.504 1.00 1.07 H new ATOM 311 N ILE A 6 0.889 11.941 -13.402 1.00 0.58 N ATOM 312 CA ILE A 6 1.348 10.632 -12.963 1.00 0.55 C ATOM 313 C ILE A 6 0.861 9.575 -13.947 1.00 0.54 C ATOM 314 O ILE A 6 -0.314 9.588 -14.329 1.00 0.58 O ATOM 315 CB ILE A 6 0.808 10.299 -11.551 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.220 11.384 -10.554 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.303 8.932 -11.089 1.00 0.56 C ATOM 318 CD1 ILE A 6 0.674 11.163 -9.159 1.00 0.69 C ATOM 0 H ILE A 6 0.045 12.267 -12.930 1.00 0.58 H new ATOM 0 HA ILE A 6 2.437 10.642 -12.924 1.00 0.55 H new ATOM 0 HB ILE A 6 -0.280 10.266 -11.600 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.308 11.428 -10.507 1.00 0.63 H new ATOM 0 HG13 ILE A 6 0.877 12.352 -10.920 1.00 0.63 H new ATOM 0 HG21 ILE A 6 0.911 8.720 -10.094 1.00 0.56 H new ATOM 0 HG22 ILE A 6 0.960 8.167 -11.785 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.393 8.931 -11.057 1.00 0.56 H new ATOM 0 HD11 ILE A 6 1.006 11.970 -8.506 1.00 0.69 H new ATOM 0 HD12 ILE A 6 -0.415 11.149 -9.193 1.00 0.69 H new ATOM 0 HD13 ILE A 6 1.038 10.211 -8.773 1.00 0.69 H new ATOM 325 N PRO A 7 1.759 8.672 -14.395 1.00 0.53 N ATOM 326 CA PRO A 7 1.413 7.576 -15.304 1.00 0.55 C ATOM 327 C PRO A 7 0.116 6.884 -14.909 1.00 0.53 C ATOM 328 O PRO A 7 0.028 6.251 -13.854 1.00 0.52 O ATOM 329 CB PRO A 7 2.600 6.628 -15.164 1.00 0.55 C ATOM 330 CG PRO A 7 3.751 7.527 -14.880 1.00 0.60 C ATOM 331 CD PRO A 7 3.199 8.663 -14.058 1.00 0.54 C ATOM 0 HA PRO A 7 1.243 7.920 -16.324 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.445 5.912 -14.357 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.760 6.052 -16.075 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.535 6.998 -14.338 1.00 0.60 H new ATOM 0 HG3 PRO A 7 4.196 7.895 -15.805 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.360 8.501 -12.992 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.676 9.610 -14.312 1.00 0.54 H new ATOM 339 N ALA A 8 -0.886 7.002 -15.770 1.00 0.55 N ATOM 340 CA ALA A 8 -2.220 6.512 -15.468 1.00 0.54 C ATOM 341 C ALA A 8 -2.246 4.994 -15.365 1.00 0.55 C ATOM 342 O ALA A 8 -3.134 4.428 -14.724 1.00 0.56 O ATOM 343 CB ALA A 8 -3.214 7.000 -16.510 1.00 0.57 C ATOM 0 H ALA A 8 -0.797 7.436 -16.689 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.511 6.911 -14.496 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.208 6.624 -16.269 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.230 8.090 -16.515 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -2.918 6.637 -17.494 1.00 0.57 H new ATOM 349 N ASP A 9 -1.260 4.335 -15.971 1.00 0.55 N ATOM 350 CA ASP A 9 -1.171 2.881 -15.894 1.00 0.57 C ATOM 351 C ASP A 9 -0.909 2.459 -14.457 1.00 0.54 C ATOM 352 O ASP A 9 -1.386 1.428 -13.985 1.00 0.55 O ATOM 353 CB ASP A 9 -0.055 2.345 -16.795 1.00 0.61 C ATOM 354 CG ASP A 9 -0.372 2.474 -18.268 1.00 0.93 C ATOM 355 OD1 ASP A 9 -1.154 1.652 -18.786 1.00 1.33 O ATOM 356 OD2 ASP A 9 0.145 3.408 -18.914 1.00 1.37 O ATOM 0 H ASP A 9 -0.520 4.780 -16.514 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.118 2.465 -16.237 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.868 2.882 -16.579 1.00 0.61 H new ATOM 0 HB3 ASP A 9 0.124 1.296 -16.558 1.00 0.61 H new ATOM 361 N TYR A 10 -0.134 3.295 -13.770 1.00 0.52 N ATOM 362 CA TYR A 10 0.243 3.062 -12.386 1.00 0.50 C ATOM 363 C TYR A 10 -0.859 3.533 -11.451 1.00 0.49 C ATOM 364 O TYR A 10 -1.084 2.938 -10.398 1.00 0.51 O ATOM 365 CB TYR A 10 1.551 3.802 -12.073 1.00 0.52 C ATOM 366 CG TYR A 10 1.997 3.709 -10.628 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.619 2.567 -10.146 1.00 0.59 C ATOM 368 CD2 TYR A 10 1.801 4.770 -9.752 1.00 0.59 C ATOM 369 CE1 TYR A 10 3.031 2.482 -8.829 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.212 4.694 -8.435 1.00 0.66 C ATOM 371 CZ TYR A 10 2.826 3.547 -7.979 1.00 0.70 C ATOM 372 OH TYR A 10 3.241 3.463 -6.670 1.00 0.80 O ATOM 0 H TYR A 10 0.249 4.155 -14.163 1.00 0.52 H new ATOM 0 HA TYR A 10 0.392 1.993 -12.236 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.340 3.403 -12.710 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.431 4.853 -12.336 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.784 1.731 -10.810 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.319 5.669 -10.107 1.00 0.59 H new ATOM 0 HE1 TYR A 10 3.511 1.585 -8.468 1.00 0.66 H new ATOM 0 HE2 TYR A 10 2.053 5.528 -7.767 1.00 0.66 H new ATOM 0 HH TYR A 10 3.024 4.297 -6.204 1.00 0.80 H new ATOM 382 N ARG A 11 -1.558 4.595 -11.843 1.00 0.48 N ATOM 383 CA ARG A 11 -2.622 5.143 -11.007 1.00 0.49 C ATOM 384 C ARG A 11 -3.746 4.131 -10.855 1.00 0.50 C ATOM 385 O ARG A 11 -4.494 4.149 -9.881 1.00 0.54 O ATOM 386 CB ARG A 11 -3.160 6.448 -11.592 1.00 0.51 C ATOM 387 CG ARG A 11 -2.238 7.638 -11.395 1.00 0.48 C ATOM 388 CD ARG A 11 -2.786 8.886 -12.073 1.00 0.60 C ATOM 389 NE ARG A 11 -4.242 8.994 -11.955 1.00 0.88 N ATOM 390 CZ ARG A 11 -4.882 9.369 -10.849 1.00 1.19 C ATOM 391 NH1 ARG A 11 -4.209 9.586 -9.727 1.00 1.61 N ATOM 392 NH2 ARG A 11 -6.202 9.500 -10.858 1.00 1.73 N ATOM 0 H ARG A 11 -1.410 5.088 -12.723 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.205 5.358 -10.023 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.337 6.311 -12.659 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -4.125 6.669 -11.135 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -2.110 7.828 -10.329 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.252 7.407 -11.798 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -2.322 9.769 -11.632 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -2.510 8.874 -13.127 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.804 8.767 -12.775 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -3.196 9.466 -9.708 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -4.704 9.873 -8.883 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -6.727 9.313 -11.712 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -6.692 9.787 -10.011 1.00 1.73 H new ATOM 406 N ASP A 12 -3.838 3.241 -11.835 1.00 0.48 N ATOM 407 CA ASP A 12 -4.798 2.147 -11.822 1.00 0.50 C ATOM 408 C ASP A 12 -4.520 1.192 -10.660 1.00 0.52 C ATOM 409 O ASP A 12 -5.428 0.542 -10.144 1.00 0.62 O ATOM 410 CB ASP A 12 -4.718 1.389 -13.148 1.00 0.51 C ATOM 411 CG ASP A 12 -5.811 0.353 -13.302 1.00 0.76 C ATOM 412 OD1 ASP A 12 -6.956 0.735 -13.617 1.00 1.02 O ATOM 413 OD2 ASP A 12 -5.527 -0.848 -13.130 1.00 0.99 O ATOM 0 H ASP A 12 -3.245 3.259 -12.665 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.799 2.559 -11.692 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.780 2.100 -13.972 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -3.747 0.899 -13.223 1.00 0.51 H new ATOM 418 N LEU A 13 -3.262 1.138 -10.237 1.00 0.50 N ATOM 419 CA LEU A 13 -2.840 0.225 -9.178 1.00 0.53 C ATOM 420 C LEU A 13 -2.868 0.916 -7.818 1.00 0.62 C ATOM 421 O LEU A 13 -2.885 0.260 -6.778 1.00 0.93 O ATOM 422 CB LEU A 13 -1.418 -0.279 -9.446 1.00 0.49 C ATOM 423 CG LEU A 13 -1.165 -0.864 -10.839 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.309 -1.211 -10.998 1.00 0.78 C ATOM 425 CD2 LEU A 13 -2.033 -2.092 -11.079 1.00 0.88 C ATOM 0 H LEU A 13 -2.512 1.719 -10.613 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.535 -0.614 -9.168 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.725 0.548 -9.289 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -1.178 -1.041 -8.704 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.433 -0.114 -11.583 1.00 0.44 H new ATOM 0 HD11 LEU A 13 0.480 -1.626 -11.991 1.00 0.78 H new ATOM 0 HD12 LEU A 13 0.910 -0.311 -10.873 1.00 0.78 H new ATOM 0 HD13 LEU A 13 0.593 -1.945 -10.244 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.835 -2.489 -12.075 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.802 -2.852 -10.333 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -3.084 -1.815 -11.001 1.00 0.88 H new ATOM 437 N MET A 14 -2.862 2.243 -7.841 1.00 0.55 N ATOM 438 CA MET A 14 -2.764 3.037 -6.621 1.00 0.64 C ATOM 439 C MET A 14 -3.994 2.862 -5.735 1.00 0.55 C ATOM 440 O MET A 14 -5.126 2.961 -6.209 1.00 0.53 O ATOM 441 CB MET A 14 -2.592 4.517 -6.967 1.00 0.82 C ATOM 442 CG MET A 14 -1.291 4.829 -7.688 1.00 0.97 C ATOM 443 SD MET A 14 -1.172 6.555 -8.202 1.00 1.15 S ATOM 444 CE MET A 14 -1.194 7.387 -6.617 1.00 1.04 C ATOM 0 H MET A 14 -2.924 2.795 -8.696 1.00 0.55 H new ATOM 0 HA MET A 14 -1.893 2.684 -6.069 1.00 0.64 H new ATOM 0 HB2 MET A 14 -3.428 4.835 -7.590 1.00 0.82 H new ATOM 0 HB3 MET A 14 -2.638 5.103 -6.049 1.00 0.82 H new ATOM 0 HG2 MET A 14 -0.452 4.591 -7.034 1.00 0.97 H new ATOM 0 HG3 MET A 14 -1.204 4.187 -8.564 1.00 0.97 H new ATOM 0 HE1 MET A 14 -0.847 8.413 -6.740 1.00 1.04 H new ATOM 0 HE2 MET A 14 -2.210 7.392 -6.223 1.00 1.04 H new ATOM 0 HE3 MET A 14 -0.538 6.863 -5.922 1.00 1.04 H new ATOM 454 N PRO A 15 -3.781 2.600 -4.433 1.00 0.62 N ATOM 455 CA PRO A 15 -4.871 2.490 -3.460 1.00 0.67 C ATOM 456 C PRO A 15 -5.667 3.790 -3.367 1.00 0.59 C ATOM 457 O PRO A 15 -5.091 4.882 -3.345 1.00 0.57 O ATOM 458 CB PRO A 15 -4.150 2.222 -2.133 1.00 0.88 C ATOM 459 CG PRO A 15 -2.806 1.712 -2.516 1.00 0.90 C ATOM 460 CD PRO A 15 -2.464 2.388 -3.811 1.00 0.74 C ATOM 0 HA PRO A 15 -5.587 1.714 -3.731 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -4.071 3.131 -1.537 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -4.691 1.492 -1.531 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -2.067 1.942 -1.748 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -2.818 0.628 -2.632 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -1.939 3.329 -3.648 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -1.820 1.766 -4.433 1.00 0.74 H new ATOM 468 N PRO A 16 -7.011 3.675 -3.314 1.00 0.65 N ATOM 469 CA PRO A 16 -7.926 4.827 -3.254 1.00 0.70 C ATOM 470 C PRO A 16 -7.573 5.809 -2.140 1.00 0.71 C ATOM 471 O PRO A 16 -7.801 7.011 -2.269 1.00 0.74 O ATOM 472 CB PRO A 16 -9.287 4.185 -2.979 1.00 0.85 C ATOM 473 CG PRO A 16 -9.175 2.813 -3.543 1.00 0.96 C ATOM 474 CD PRO A 16 -7.748 2.395 -3.324 1.00 0.76 C ATOM 0 HA PRO A 16 -7.887 5.416 -4.170 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -9.504 4.158 -1.911 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.093 4.745 -3.454 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -9.863 2.129 -3.047 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -9.427 2.805 -4.604 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -7.628 1.855 -2.385 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -7.397 1.736 -4.118 1.00 0.76 H new ATOM 482 N GLU A 17 -7.016 5.289 -1.053 1.00 0.78 N ATOM 483 CA GLU A 17 -6.590 6.116 0.069 1.00 0.89 C ATOM 484 C GLU A 17 -5.493 7.083 -0.365 1.00 0.84 C ATOM 485 O GLU A 17 -5.575 8.289 -0.122 1.00 1.13 O ATOM 486 CB GLU A 17 -6.078 5.241 1.222 1.00 1.09 C ATOM 487 CG GLU A 17 -7.152 4.415 1.920 1.00 1.48 C ATOM 488 CD GLU A 17 -7.848 3.429 1.001 1.00 1.36 C ATOM 489 OE1 GLU A 17 -7.154 2.579 0.406 1.00 1.83 O ATOM 490 OE2 GLU A 17 -9.088 3.503 0.864 1.00 1.65 O ATOM 0 H GLU A 17 -6.848 4.291 -0.925 1.00 0.78 H new ATOM 0 HA GLU A 17 -7.452 6.687 0.413 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -5.313 4.567 0.836 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -5.595 5.882 1.960 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -6.699 3.870 2.749 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -7.895 5.087 2.349 1.00 1.48 H new ATOM 497 N ALA A 18 -4.479 6.550 -1.034 1.00 0.72 N ATOM 498 CA ALA A 18 -3.350 7.351 -1.486 1.00 0.73 C ATOM 499 C ALA A 18 -3.776 8.323 -2.580 1.00 0.62 C ATOM 500 O ALA A 18 -3.142 9.359 -2.792 1.00 0.72 O ATOM 501 CB ALA A 18 -2.231 6.449 -1.982 1.00 0.82 C ATOM 0 H ALA A 18 -4.416 5.561 -1.276 1.00 0.72 H new ATOM 0 HA ALA A 18 -2.983 7.933 -0.641 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -1.393 7.060 -2.317 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -1.904 5.797 -1.172 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -2.593 5.843 -2.812 1.00 0.82 H new ATOM 507 N ARG A 19 -4.856 7.979 -3.269 1.00 0.52 N ATOM 508 CA ARG A 19 -5.377 8.809 -4.343 1.00 0.49 C ATOM 509 C ARG A 19 -6.167 9.990 -3.796 1.00 0.50 C ATOM 510 O ARG A 19 -6.005 11.109 -4.268 1.00 0.52 O ATOM 511 CB ARG A 19 -6.264 7.988 -5.276 1.00 0.52 C ATOM 512 CG ARG A 19 -5.506 6.936 -6.071 1.00 0.64 C ATOM 513 CD ARG A 19 -6.443 6.088 -6.919 1.00 0.72 C ATOM 514 NE ARG A 19 -7.224 6.895 -7.858 1.00 1.01 N ATOM 515 CZ ARG A 19 -7.550 6.497 -9.088 1.00 1.43 C ATOM 516 NH1 ARG A 19 -7.145 5.316 -9.538 1.00 1.46 N ATOM 517 NH2 ARG A 19 -8.282 7.283 -9.869 1.00 2.16 N ATOM 0 H ARG A 19 -5.389 7.126 -3.101 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.524 9.192 -4.903 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.039 7.497 -4.687 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.768 8.661 -5.969 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.774 7.424 -6.715 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -4.951 6.293 -5.388 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -5.862 5.351 -7.473 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -7.120 5.536 -6.267 1.00 0.72 H new ATOM 0 HE ARG A 19 -7.537 7.817 -7.553 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -6.582 4.709 -8.942 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -7.397 5.015 -10.480 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -8.595 8.192 -9.528 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -8.531 6.978 -10.810 1.00 2.16 H new ATOM 531 N ASP A 20 -7.017 9.727 -2.803 1.00 0.53 N ATOM 532 CA ASP A 20 -7.899 10.752 -2.230 1.00 0.57 C ATOM 533 C ASP A 20 -7.133 12.009 -1.820 1.00 0.56 C ATOM 534 O ASP A 20 -7.526 13.121 -2.176 1.00 0.57 O ATOM 535 CB ASP A 20 -8.661 10.197 -1.026 1.00 0.63 C ATOM 536 CG ASP A 20 -9.587 11.228 -0.411 1.00 0.80 C ATOM 537 OD1 ASP A 20 -10.643 11.520 -1.007 1.00 1.06 O ATOM 538 OD2 ASP A 20 -9.261 11.751 0.675 1.00 0.98 O ATOM 0 H ASP A 20 -7.116 8.807 -2.374 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.607 11.031 -3.010 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -9.241 9.328 -1.335 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -7.950 9.855 -0.274 1.00 0.63 H new ATOM 543 N PHE A 21 -6.049 11.823 -1.080 1.00 0.57 N ATOM 544 CA PHE A 21 -5.192 12.931 -0.655 1.00 0.57 C ATOM 545 C PHE A 21 -4.691 13.748 -1.846 1.00 0.55 C ATOM 546 O PHE A 21 -4.965 14.940 -1.914 1.00 0.64 O ATOM 547 CB PHE A 21 -4.018 12.413 0.177 1.00 0.60 C ATOM 548 CG PHE A 21 -3.229 13.497 0.859 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.681 14.069 2.036 1.00 0.62 C ATOM 550 CD2 PHE A 21 -2.036 13.949 0.316 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.958 15.067 2.660 1.00 0.65 C ATOM 552 CE2 PHE A 21 -1.309 14.948 0.937 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.770 15.496 2.129 1.00 0.63 C ATOM 0 H PHE A 21 -5.737 10.907 -0.757 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.795 13.594 -0.034 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.396 11.723 0.931 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.351 11.843 -0.470 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.610 13.731 2.471 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.670 13.516 -0.603 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -3.331 15.511 3.571 1.00 0.65 H new ATOM 0 HE2 PHE A 21 -0.387 15.301 0.498 1.00 0.65 H new ATOM 0 HZ PHE A 21 -1.194 16.257 2.634 1.00 0.63 H new ATOM 563 N LEU A 22 -3.993 13.140 -2.789 1.00 0.56 N ATOM 564 CA LEU A 22 -3.471 13.900 -3.930 1.00 0.55 C ATOM 565 C LEU A 22 -4.593 14.299 -4.894 1.00 0.54 C ATOM 566 O LEU A 22 -4.385 15.144 -5.766 1.00 0.57 O ATOM 567 CB LEU A 22 -2.375 13.127 -4.666 1.00 0.56 C ATOM 568 CG LEU A 22 -1.157 12.743 -3.832 1.00 0.65 C ATOM 569 CD1 LEU A 22 -0.222 11.854 -4.637 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.431 13.985 -3.363 1.00 1.13 C ATOM 0 H LEU A 22 -3.774 12.144 -2.797 1.00 0.56 H new ATOM 0 HA LEU A 22 -3.026 14.812 -3.532 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.812 12.217 -5.076 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.038 13.728 -5.511 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.495 12.186 -2.958 1.00 0.65 H new ATOM 0 HD11 LEU A 22 0.642 11.589 -4.028 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.748 10.947 -4.934 1.00 1.04 H new ATOM 0 HD13 LEU A 22 0.112 12.388 -5.527 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.436 13.697 -2.769 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.103 14.563 -4.227 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -1.102 14.591 -2.755 1.00 1.13 H new ATOM 582 N GLN A 23 -5.765 13.716 -4.743 1.00 0.52 N ATOM 583 CA GLN A 23 -6.955 14.214 -5.423 1.00 0.52 C ATOM 584 C GLN A 23 -7.328 15.615 -4.921 1.00 0.53 C ATOM 585 O GLN A 23 -7.554 16.528 -5.716 1.00 0.54 O ATOM 586 CB GLN A 23 -8.126 13.259 -5.194 1.00 0.53 C ATOM 587 CG GLN A 23 -9.391 13.659 -5.935 1.00 0.78 C ATOM 588 CD GLN A 23 -10.552 12.730 -5.647 1.00 1.38 C ATOM 589 OE1 GLN A 23 -10.365 11.542 -5.384 1.00 2.05 O ATOM 590 NE2 GLN A 23 -11.760 13.263 -5.692 1.00 2.06 N ATOM 0 H GLN A 23 -5.924 12.897 -4.157 1.00 0.52 H new ATOM 0 HA GLN A 23 -6.737 14.274 -6.489 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -7.833 12.257 -5.507 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.340 13.210 -4.126 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.666 14.676 -5.655 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.193 13.666 -7.007 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -11.873 14.252 -5.914 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -12.580 12.685 -5.505 1.00 2.06 H new ATOM 599 N ASN A 24 -7.390 15.779 -3.602 1.00 0.58 N ATOM 600 CA ASN A 24 -7.831 17.051 -3.021 1.00 0.65 C ATOM 601 C ASN A 24 -6.680 18.034 -2.861 1.00 0.60 C ATOM 602 O ASN A 24 -6.882 19.247 -2.944 1.00 0.63 O ATOM 603 CB ASN A 24 -8.534 16.860 -1.667 1.00 0.85 C ATOM 604 CG ASN A 24 -7.619 16.372 -0.558 1.00 1.10 C ATOM 605 OD1 ASN A 24 -6.914 17.161 0.067 1.00 1.84 O ATOM 606 ND2 ASN A 24 -7.658 15.084 -0.275 1.00 1.21 N ATOM 0 H ASN A 24 -7.145 15.060 -2.921 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.550 17.466 -3.728 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -8.981 17.807 -1.365 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -9.350 16.148 -1.790 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -7.090 14.712 0.486 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -8.256 14.461 -0.817 1.00 1.21 H new ATOM 613 N LEU A 25 -5.484 17.525 -2.635 1.00 0.60 N ATOM 614 CA LEU A 25 -4.344 18.331 -2.438 1.00 0.65 C ATOM 615 C LEU A 25 -3.981 19.067 -3.730 1.00 0.64 C ATOM 616 O LEU A 25 -3.892 18.471 -4.802 1.00 0.64 O ATOM 617 CB LEU A 25 -3.233 17.408 -1.959 1.00 0.76 C ATOM 618 CG LEU A 25 -1.880 17.990 -2.115 1.00 0.59 C ATOM 619 CD1 LEU A 25 -1.748 19.126 -1.153 1.00 0.81 C ATOM 620 CD2 LEU A 25 -0.786 16.965 -1.909 1.00 1.05 C ATOM 0 H LEU A 25 -5.298 16.523 -2.587 1.00 0.60 H new ATOM 0 HA LEU A 25 -4.521 19.107 -1.693 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -3.398 17.166 -0.909 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -3.284 16.471 -2.514 1.00 0.76 H new ATOM 0 HG LEU A 25 -1.762 18.348 -3.138 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -0.758 19.571 -1.250 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -2.507 19.878 -1.371 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -1.883 18.759 -0.136 1.00 0.81 H new ATOM 0 HD21 LEU A 25 0.187 17.441 -2.034 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -0.861 16.550 -0.904 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -0.895 16.165 -2.641 1.00 1.05 H new ATOM 632 N SER A 26 -3.762 20.372 -3.601 1.00 0.73 N ATOM 633 CA SER A 26 -3.562 21.239 -4.750 1.00 0.83 C ATOM 634 C SER A 26 -2.181 21.888 -4.681 1.00 1.02 C ATOM 635 O SER A 26 -1.522 21.811 -3.649 1.00 1.78 O ATOM 636 CB SER A 26 -4.661 22.305 -4.807 1.00 0.93 C ATOM 637 OG SER A 26 -4.629 23.013 -6.036 1.00 1.72 O ATOM 0 H SER A 26 -3.719 20.853 -2.702 1.00 0.73 H new ATOM 0 HA SER A 26 -3.618 20.642 -5.660 1.00 0.83 H new ATOM 0 HB2 SER A 26 -5.635 21.833 -4.682 1.00 0.93 H new ATOM 0 HB3 SER A 26 -4.537 23.003 -3.979 1.00 0.93 H new ATOM 0 HG SER A 26 -5.342 23.685 -6.045 1.00 1.72 H new ATOM 643 N ASP A 27 -1.756 22.523 -5.770 1.00 0.96 N ATOM 644 CA ASP A 27 -0.372 23.000 -5.913 1.00 1.11 C ATOM 645 C ASP A 27 0.076 23.903 -4.771 1.00 1.13 C ATOM 646 O ASP A 27 1.183 23.738 -4.248 1.00 1.95 O ATOM 647 CB ASP A 27 -0.187 23.710 -7.253 1.00 1.42 C ATOM 648 CG ASP A 27 0.001 22.732 -8.396 1.00 1.84 C ATOM 649 OD1 ASP A 27 -0.846 21.829 -8.558 1.00 2.19 O ATOM 650 OD2 ASP A 27 0.993 22.872 -9.148 1.00 2.39 O ATOM 0 H ASP A 27 -2.350 22.723 -6.575 1.00 0.96 H new ATOM 0 HA ASP A 27 0.263 22.115 -5.877 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -1.055 24.338 -7.453 1.00 1.42 H new ATOM 0 HB3 ASP A 27 0.678 24.371 -7.196 1.00 1.42 H new ATOM 655 N GLY A 28 -0.777 24.839 -4.374 1.00 0.93 N ATOM 656 CA GLY A 28 -0.444 25.734 -3.278 1.00 0.87 C ATOM 657 C GLY A 28 -0.110 24.976 -2.010 1.00 0.75 C ATOM 658 O GLY A 28 0.800 25.349 -1.271 1.00 0.73 O ATOM 0 H GLY A 28 -1.695 24.996 -4.791 1.00 0.93 H new ATOM 0 HA2 GLY A 28 0.404 26.356 -3.563 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -1.282 26.405 -3.090 1.00 0.87 H new ATOM 662 N ASP A 29 -0.840 23.900 -1.771 1.00 0.70 N ATOM 663 CA ASP A 29 -0.601 23.050 -0.616 1.00 0.67 C ATOM 664 C ASP A 29 0.576 22.114 -0.872 1.00 0.59 C ATOM 665 O ASP A 29 1.383 21.874 0.018 1.00 0.60 O ATOM 666 CB ASP A 29 -1.852 22.239 -0.279 1.00 0.80 C ATOM 667 CG ASP A 29 -2.997 23.091 0.223 1.00 1.47 C ATOM 668 OD1 ASP A 29 -2.852 23.732 1.285 1.00 1.74 O ATOM 669 OD2 ASP A 29 -4.055 23.120 -0.445 1.00 2.25 O ATOM 0 H ASP A 29 -1.609 23.592 -2.366 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.359 23.690 0.233 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -2.174 21.695 -1.167 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -1.602 21.495 0.478 1.00 0.80 H new ATOM 674 N LYS A 30 0.680 21.603 -2.101 1.00 0.63 N ATOM 675 CA LYS A 30 1.814 20.752 -2.497 1.00 0.65 C ATOM 676 C LYS A 30 3.133 21.469 -2.223 1.00 0.61 C ATOM 677 O LYS A 30 4.162 20.839 -1.984 1.00 0.65 O ATOM 678 CB LYS A 30 1.748 20.403 -3.988 1.00 0.78 C ATOM 679 CG LYS A 30 0.499 19.657 -4.424 1.00 0.92 C ATOM 680 CD LYS A 30 0.470 19.492 -5.937 1.00 0.89 C ATOM 681 CE LYS A 30 -0.892 19.038 -6.437 1.00 0.96 C ATOM 682 NZ LYS A 30 -1.025 19.224 -7.908 1.00 1.31 N ATOM 0 H LYS A 30 -0.004 21.761 -2.841 1.00 0.63 H new ATOM 0 HA LYS A 30 1.757 19.835 -1.911 1.00 0.65 H new ATOM 0 HB2 LYS A 30 1.820 21.326 -4.564 1.00 0.78 H new ATOM 0 HB3 LYS A 30 2.619 19.799 -4.242 1.00 0.78 H new ATOM 0 HG2 LYS A 30 0.469 18.678 -3.946 1.00 0.92 H new ATOM 0 HG3 LYS A 30 -0.388 20.199 -4.095 1.00 0.92 H new ATOM 0 HD2 LYS A 30 0.732 20.439 -6.409 1.00 0.89 H new ATOM 0 HD3 LYS A 30 1.226 18.766 -6.237 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -1.040 17.987 -6.188 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -1.674 19.600 -5.926 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.755 18.580 -8.275 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -1.297 20.207 -8.110 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -0.116 19.014 -8.368 1.00 1.31 H new ATOM 696 N THR A 31 3.080 22.795 -2.263 1.00 0.60 N ATOM 697 CA THR A 31 4.242 23.638 -2.049 1.00 0.61 C ATOM 698 C THR A 31 4.860 23.401 -0.674 1.00 0.52 C ATOM 699 O THR A 31 6.082 23.431 -0.513 1.00 0.54 O ATOM 700 CB THR A 31 3.853 25.123 -2.168 1.00 0.68 C ATOM 701 OG1 THR A 31 3.256 25.375 -3.450 1.00 0.80 O ATOM 702 CG2 THR A 31 5.064 26.026 -1.987 1.00 0.76 C ATOM 0 H THR A 31 2.222 23.316 -2.446 1.00 0.60 H new ATOM 0 HA THR A 31 4.975 23.380 -2.814 1.00 0.61 H new ATOM 0 HB THR A 31 3.135 25.345 -1.378 1.00 0.68 H new ATOM 0 HG1 THR A 31 2.479 24.790 -3.570 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.757 27.068 -2.076 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.498 25.859 -1.001 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.805 25.799 -2.753 1.00 0.76 H new ATOM 710 N VAL A 32 4.014 23.155 0.312 1.00 0.50 N ATOM 711 CA VAL A 32 4.472 23.028 1.678 1.00 0.50 C ATOM 712 C VAL A 32 4.847 21.577 1.993 1.00 0.47 C ATOM 713 O VAL A 32 5.657 21.316 2.884 1.00 0.48 O ATOM 714 CB VAL A 32 3.407 23.552 2.661 1.00 0.57 C ATOM 715 CG1 VAL A 32 2.256 22.581 2.800 1.00 0.60 C ATOM 716 CG2 VAL A 32 4.022 23.853 4.007 1.00 0.85 C ATOM 0 H VAL A 32 3.008 23.040 0.189 1.00 0.50 H new ATOM 0 HA VAL A 32 5.367 23.638 1.796 1.00 0.50 H new ATOM 0 HB VAL A 32 3.007 24.480 2.252 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.524 22.983 3.501 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.785 22.433 1.828 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.628 21.626 3.172 1.00 0.60 H new ATOM 0 HG21 VAL A 32 3.252 24.221 4.685 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.462 22.944 4.417 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.797 24.611 3.892 1.00 0.85 H new ATOM 720 N LEU A 33 4.258 20.638 1.249 1.00 0.48 N ATOM 721 CA LEU A 33 4.615 19.224 1.343 1.00 0.49 C ATOM 722 C LEU A 33 6.125 19.025 1.242 1.00 0.50 C ATOM 723 O LEU A 33 6.735 18.388 2.101 1.00 0.54 O ATOM 724 CB LEU A 33 3.925 18.426 0.225 1.00 0.53 C ATOM 725 CG LEU A 33 2.542 17.841 0.548 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.644 16.823 1.665 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.544 18.927 0.910 1.00 0.74 C ATOM 0 H LEU A 33 3.524 20.837 0.569 1.00 0.48 H new ATOM 0 HA LEU A 33 4.279 18.863 2.315 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.825 19.075 -0.645 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.583 17.606 -0.063 1.00 0.53 H new ATOM 0 HG LEU A 33 2.177 17.343 -0.351 1.00 0.58 H new ATOM 0 HD11 LEU A 33 1.655 16.419 1.881 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.308 16.014 1.360 1.00 0.98 H new ATOM 0 HD13 LEU A 33 3.043 17.302 2.559 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.578 18.474 1.132 1.00 0.74 H new ATOM 0 HD22 LEU A 33 1.899 19.471 1.785 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.438 19.617 0.073 1.00 0.74 H new ATOM 739 N LYS A 34 6.730 19.590 0.203 1.00 0.51 N ATOM 740 CA LYS A 34 8.156 19.398 -0.038 1.00 0.56 C ATOM 741 C LYS A 34 9.014 20.036 1.052 1.00 0.53 C ATOM 742 O LYS A 34 10.161 19.647 1.244 1.00 0.59 O ATOM 743 CB LYS A 34 8.557 19.919 -1.420 1.00 0.65 C ATOM 744 CG LYS A 34 8.028 21.301 -1.759 1.00 0.93 C ATOM 745 CD LYS A 34 8.409 21.691 -3.177 1.00 0.89 C ATOM 746 CE LYS A 34 7.794 23.016 -3.587 1.00 1.70 C ATOM 747 NZ LYS A 34 8.199 23.410 -4.962 1.00 2.41 N ATOM 0 H LYS A 34 6.259 20.181 -0.482 1.00 0.51 H new ATOM 0 HA LYS A 34 8.341 18.324 -0.009 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.645 19.936 -1.484 1.00 0.65 H new ATOM 0 HB3 LYS A 34 8.204 19.216 -2.174 1.00 0.65 H new ATOM 0 HG2 LYS A 34 6.943 21.317 -1.652 1.00 0.93 H new ATOM 0 HG3 LYS A 34 8.429 22.031 -1.056 1.00 0.93 H new ATOM 0 HD2 LYS A 34 9.494 21.755 -3.256 1.00 0.89 H new ATOM 0 HD3 LYS A 34 8.085 20.912 -3.867 1.00 0.89 H new ATOM 0 HE2 LYS A 34 6.708 22.944 -3.534 1.00 1.70 H new ATOM 0 HE3 LYS A 34 8.097 23.791 -2.883 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 7.759 24.320 -5.206 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 9.234 23.503 -5.006 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 7.888 22.683 -5.637 1.00 2.41 H new ATOM 761 N GLU A 35 8.455 20.996 1.776 1.00 0.47 N ATOM 762 CA GLU A 35 9.162 21.606 2.894 1.00 0.47 C ATOM 763 C GLU A 35 9.273 20.616 4.050 1.00 0.46 C ATOM 764 O GLU A 35 10.208 20.670 4.846 1.00 0.57 O ATOM 765 CB GLU A 35 8.456 22.881 3.353 1.00 0.47 C ATOM 766 CG GLU A 35 8.428 23.975 2.300 1.00 0.61 C ATOM 767 CD GLU A 35 8.080 25.327 2.885 1.00 1.26 C ATOM 768 OE1 GLU A 35 8.962 25.971 3.490 1.00 1.47 O ATOM 769 OE2 GLU A 35 6.920 25.761 2.728 1.00 1.96 O ATOM 0 H GLU A 35 7.520 21.368 1.611 1.00 0.47 H new ATOM 0 HA GLU A 35 10.165 21.873 2.561 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.433 22.637 3.638 1.00 0.47 H new ATOM 0 HB3 GLU A 35 8.954 23.260 4.245 1.00 0.47 H new ATOM 0 HG2 GLU A 35 9.401 24.032 1.813 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.701 23.717 1.530 1.00 0.61 H new ATOM 776 N VAL A 36 8.314 19.710 4.123 1.00 0.41 N ATOM 777 CA VAL A 36 8.328 18.642 5.114 1.00 0.42 C ATOM 778 C VAL A 36 9.281 17.531 4.671 1.00 0.50 C ATOM 779 O VAL A 36 10.172 17.111 5.411 1.00 0.62 O ATOM 780 CB VAL A 36 6.903 18.067 5.300 1.00 0.43 C ATOM 781 CG1 VAL A 36 6.896 16.888 6.255 1.00 0.98 C ATOM 782 CG2 VAL A 36 5.951 19.152 5.783 1.00 0.74 C ATOM 0 H VAL A 36 7.506 19.691 3.501 1.00 0.41 H new ATOM 0 HA VAL A 36 8.672 19.050 6.064 1.00 0.42 H new ATOM 0 HB VAL A 36 6.562 17.706 4.330 1.00 0.43 H new ATOM 0 HG11 VAL A 36 5.879 16.511 6.360 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.537 16.098 5.863 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.268 17.206 7.229 1.00 0.98 H new ATOM 0 HG21 VAL A 36 4.953 18.731 5.909 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.302 19.545 6.737 1.00 0.74 H new ATOM 0 HG23 VAL A 36 5.915 19.957 5.050 1.00 0.74 H new ATOM 786 N PHE A 37 9.074 17.084 3.444 1.00 0.49 N ATOM 787 CA PHE A 37 9.867 16.045 2.809 1.00 0.54 C ATOM 788 C PHE A 37 11.352 16.373 2.654 1.00 0.59 C ATOM 789 O PHE A 37 12.193 15.527 2.950 1.00 0.66 O ATOM 790 CB PHE A 37 9.232 15.749 1.459 1.00 0.57 C ATOM 791 CG PHE A 37 8.006 14.896 1.635 1.00 0.57 C ATOM 792 CD1 PHE A 37 6.794 15.462 1.998 1.00 0.74 C ATOM 793 CD2 PHE A 37 8.079 13.522 1.493 1.00 0.66 C ATOM 794 CE1 PHE A 37 5.680 14.675 2.210 1.00 0.83 C ATOM 795 CE2 PHE A 37 6.967 12.728 1.710 1.00 0.68 C ATOM 796 CZ PHE A 37 5.767 13.306 2.068 1.00 0.71 C ATOM 0 H PHE A 37 8.330 17.443 2.846 1.00 0.49 H new ATOM 0 HA PHE A 37 9.857 15.173 3.464 1.00 0.54 H new ATOM 0 HB2 PHE A 37 8.966 16.682 0.962 1.00 0.57 H new ATOM 0 HB3 PHE A 37 9.949 15.239 0.816 1.00 0.57 H new ATOM 0 HD1 PHE A 37 6.720 16.533 2.117 1.00 0.74 H new ATOM 0 HD2 PHE A 37 9.015 13.064 1.209 1.00 0.66 H new ATOM 0 HE1 PHE A 37 4.741 15.131 2.487 1.00 0.83 H new ATOM 0 HE2 PHE A 37 7.039 11.656 1.599 1.00 0.68 H new ATOM 0 HZ PHE A 37 4.898 12.688 2.237 1.00 0.71 H new ATOM 806 N LYS A 38 11.694 17.576 2.194 1.00 0.60 N ATOM 807 CA LYS A 38 13.106 17.903 1.975 1.00 0.69 C ATOM 808 C LYS A 38 13.814 18.126 3.304 1.00 0.78 C ATOM 809 O LYS A 38 15.041 18.036 3.393 1.00 1.02 O ATOM 810 CB LYS A 38 13.283 19.126 1.073 1.00 0.75 C ATOM 811 CG LYS A 38 12.801 18.934 -0.343 1.00 0.76 C ATOM 812 CD LYS A 38 13.056 20.185 -1.156 1.00 0.91 C ATOM 813 CE LYS A 38 12.558 20.022 -2.569 1.00 1.37 C ATOM 814 NZ LYS A 38 12.839 21.221 -3.399 1.00 2.18 N ATOM 0 H LYS A 38 11.036 18.322 1.971 1.00 0.60 H new ATOM 0 HA LYS A 38 13.557 17.052 1.465 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.749 19.967 1.514 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.339 19.395 1.051 1.00 0.75 H new ATOM 0 HG2 LYS A 38 13.313 18.086 -0.797 1.00 0.76 H new ATOM 0 HG3 LYS A 38 11.736 18.702 -0.344 1.00 0.76 H new ATOM 0 HD2 LYS A 38 12.560 21.035 -0.688 1.00 0.91 H new ATOM 0 HD3 LYS A 38 14.123 20.405 -1.166 1.00 0.91 H new ATOM 0 HE2 LYS A 38 13.029 19.149 -3.021 1.00 1.37 H new ATOM 0 HE3 LYS A 38 11.484 19.834 -2.556 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 12.481 21.068 -4.363 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 12.368 22.050 -2.982 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 13.865 21.387 -3.434 1.00 2.18 H new ATOM 828 N ALA A 39 13.036 18.420 4.330 1.00 0.71 N ATOM 829 CA ALA A 39 13.553 18.494 5.683 1.00 0.87 C ATOM 830 C ALA A 39 13.821 17.092 6.213 1.00 0.82 C ATOM 831 O ALA A 39 14.975 16.650 6.230 1.00 1.56 O ATOM 832 CB ALA A 39 12.588 19.242 6.591 1.00 1.06 C ATOM 0 H ALA A 39 12.038 18.612 4.250 1.00 0.71 H new ATOM 0 HA ALA A 39 14.492 19.047 5.669 1.00 0.87 H new ATOM 0 HB1 ALA A 39 12.997 19.285 7.600 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.445 20.255 6.214 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.630 18.723 6.610 1.00 1.06 H new ATOM 838 N GLY A 40 12.765 16.380 6.599 1.00 0.78 N ATOM 839 CA GLY A 40 12.925 15.064 7.199 1.00 1.03 C ATOM 840 C GLY A 40 13.966 15.047 8.306 1.00 1.29 C ATOM 841 O GLY A 40 14.256 16.085 8.907 1.00 1.54 O ATOM 0 H GLY A 40 11.798 16.691 6.507 1.00 0.78 H new ATOM 0 HA2 GLY A 40 11.967 14.734 7.601 1.00 1.03 H new ATOM 0 HA3 GLY A 40 13.210 14.349 6.427 1.00 1.03 H new ATOM 845 N PRO A 41 14.527 13.880 8.636 1.00 1.37 N ATOM 846 CA PRO A 41 14.075 12.590 8.146 1.00 1.22 C ATOM 847 C PRO A 41 13.114 11.934 9.129 1.00 1.09 C ATOM 848 O PRO A 41 13.313 11.973 10.345 1.00 1.18 O ATOM 849 CB PRO A 41 15.375 11.799 8.033 1.00 1.37 C ATOM 850 CG PRO A 41 16.309 12.415 9.034 1.00 1.60 C ATOM 851 CD PRO A 41 15.695 13.717 9.503 1.00 1.68 C ATOM 0 HA PRO A 41 13.525 12.653 7.207 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.211 10.743 8.247 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.785 11.860 7.025 1.00 1.37 H new ATOM 0 HG2 PRO A 41 16.464 11.741 9.876 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.286 12.594 8.585 1.00 1.60 H new ATOM 0 HD2 PRO A 41 15.410 13.670 10.554 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.391 14.549 9.398 1.00 1.68 H new ATOM 859 N TYR A 42 12.061 11.346 8.596 1.00 0.99 N ATOM 860 CA TYR A 42 11.001 10.798 9.419 1.00 0.92 C ATOM 861 C TYR A 42 10.936 9.289 9.284 1.00 0.97 C ATOM 862 O TYR A 42 10.521 8.752 8.259 1.00 1.08 O ATOM 863 CB TYR A 42 9.662 11.436 9.042 1.00 0.85 C ATOM 864 CG TYR A 42 9.703 12.949 9.046 1.00 0.87 C ATOM 865 CD1 TYR A 42 9.955 13.651 10.218 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.471 13.675 7.883 1.00 0.99 C ATOM 867 CE1 TYR A 42 9.977 15.033 10.229 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.493 15.056 7.888 1.00 1.10 C ATOM 869 CZ TYR A 42 9.807 15.728 9.045 1.00 1.12 C ATOM 870 OH TYR A 42 9.761 17.107 9.071 1.00 1.28 O ATOM 0 H TYR A 42 11.917 11.235 7.592 1.00 0.99 H new ATOM 0 HA TYR A 42 11.216 11.029 10.462 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.367 11.089 8.052 1.00 0.85 H new ATOM 0 HB3 TYR A 42 8.896 11.097 9.739 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.136 13.109 11.134 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.270 13.150 6.961 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.126 15.567 11.156 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.264 15.605 6.987 1.00 1.10 H new ATOM 0 HH TYR A 42 9.638 17.447 8.160 1.00 1.28 H new ATOM 880 N LYS A 43 11.357 8.627 10.346 1.00 0.96 N ATOM 881 CA LYS A 43 11.293 7.178 10.462 1.00 1.01 C ATOM 882 C LYS A 43 9.851 6.699 10.518 1.00 0.98 C ATOM 883 O LYS A 43 9.579 5.501 10.452 1.00 1.06 O ATOM 884 CB LYS A 43 12.015 6.745 11.742 1.00 1.10 C ATOM 885 CG LYS A 43 13.448 7.255 11.839 1.00 1.72 C ATOM 886 CD LYS A 43 14.271 6.898 10.605 1.00 2.26 C ATOM 887 CE LYS A 43 14.410 5.394 10.422 1.00 2.94 C ATOM 888 NZ LYS A 43 15.171 4.760 11.531 1.00 3.51 N ATOM 0 H LYS A 43 11.759 9.085 11.164 1.00 0.96 H new ATOM 0 HA LYS A 43 11.771 6.738 9.587 1.00 1.01 H new ATOM 0 HB2 LYS A 43 11.452 7.102 12.605 1.00 1.10 H new ATOM 0 HB3 LYS A 43 12.022 5.656 11.794 1.00 1.10 H new ATOM 0 HG2 LYS A 43 13.439 8.337 11.967 1.00 1.72 H new ATOM 0 HG3 LYS A 43 13.923 6.833 12.725 1.00 1.72 H new ATOM 0 HD2 LYS A 43 13.801 7.328 9.720 1.00 2.26 H new ATOM 0 HD3 LYS A 43 15.262 7.345 10.689 1.00 2.26 H new ATOM 0 HE2 LYS A 43 13.419 4.944 10.360 1.00 2.94 H new ATOM 0 HE3 LYS A 43 14.912 5.190 9.476 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 15.358 3.764 11.299 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 16.074 5.260 11.663 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 14.615 4.813 12.408 1.00 3.51 H new ATOM 902 N ASN A 44 8.925 7.641 10.640 1.00 0.88 N ATOM 903 CA ASN A 44 7.522 7.329 10.838 1.00 0.85 C ATOM 904 C ASN A 44 6.692 8.258 9.971 1.00 0.80 C ATOM 905 O ASN A 44 7.192 9.279 9.496 1.00 0.85 O ATOM 906 CB ASN A 44 7.139 7.525 12.312 1.00 0.89 C ATOM 907 CG ASN A 44 8.211 7.030 13.262 1.00 0.95 C ATOM 908 OD1 ASN A 44 8.199 5.876 13.690 1.00 1.52 O ATOM 909 ND2 ASN A 44 9.148 7.911 13.597 1.00 1.10 N ATOM 0 H ASN A 44 9.128 8.640 10.604 1.00 0.88 H new ATOM 0 HA ASN A 44 7.336 6.291 10.564 1.00 0.85 H new ATOM 0 HB2 ASN A 44 6.954 8.583 12.498 1.00 0.89 H new ATOM 0 HB3 ASN A 44 6.207 6.998 12.515 1.00 0.89 H new ATOM 0 HD21 ASN A 44 9.898 7.641 14.234 1.00 1.10 H new ATOM 0 HD22 ASN A 44 9.117 8.857 13.217 1.00 1.10 H new ATOM 916 N THR A 45 5.436 7.916 9.759 1.00 0.77 N ATOM 917 CA THR A 45 4.550 8.760 8.978 1.00 0.76 C ATOM 918 C THR A 45 3.925 9.834 9.861 1.00 0.74 C ATOM 919 O THR A 45 3.690 10.955 9.417 1.00 0.92 O ATOM 920 CB THR A 45 3.442 7.933 8.307 1.00 0.84 C ATOM 921 OG1 THR A 45 4.022 6.808 7.637 1.00 1.05 O ATOM 922 CG2 THR A 45 2.664 8.772 7.305 1.00 1.18 C ATOM 0 H THR A 45 5.006 7.062 10.115 1.00 0.77 H new ATOM 0 HA THR A 45 5.146 9.235 8.199 1.00 0.76 H new ATOM 0 HB THR A 45 2.753 7.592 9.080 1.00 0.84 H new ATOM 0 HG1 THR A 45 3.332 6.131 7.478 1.00 1.05 H new ATOM 0 HG21 THR A 45 1.887 8.162 6.845 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.206 9.618 7.817 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.341 9.138 6.533 1.00 1.18 H new ATOM 930 N GLU A 46 3.684 9.484 11.120 1.00 0.72 N ATOM 931 CA GLU A 46 3.101 10.409 12.090 1.00 0.71 C ATOM 932 C GLU A 46 3.931 11.682 12.225 1.00 0.66 C ATOM 933 O GLU A 46 3.383 12.764 12.427 1.00 0.65 O ATOM 934 CB GLU A 46 2.950 9.733 13.454 1.00 0.79 C ATOM 935 CG GLU A 46 1.713 8.851 13.580 1.00 1.41 C ATOM 936 CD GLU A 46 1.653 7.751 12.541 1.00 1.82 C ATOM 937 OE1 GLU A 46 2.596 6.934 12.484 1.00 2.24 O ATOM 938 OE2 GLU A 46 0.671 7.708 11.770 1.00 2.12 O ATOM 0 H GLU A 46 3.885 8.558 11.497 1.00 0.72 H new ATOM 0 HA GLU A 46 2.115 10.690 11.720 1.00 0.71 H new ATOM 0 HB2 GLU A 46 3.836 9.127 13.647 1.00 0.79 H new ATOM 0 HB3 GLU A 46 2.915 10.502 14.226 1.00 0.79 H new ATOM 0 HG2 GLU A 46 1.694 8.404 14.574 1.00 1.41 H new ATOM 0 HG3 GLU A 46 0.822 9.472 13.493 1.00 1.41 H new ATOM 945 N GLU A 47 5.245 11.558 12.100 1.00 0.67 N ATOM 946 CA GLU A 47 6.133 12.714 12.169 1.00 0.67 C ATOM 947 C GLU A 47 5.950 13.625 10.958 1.00 0.60 C ATOM 948 O GLU A 47 5.989 14.849 11.080 1.00 0.58 O ATOM 949 CB GLU A 47 7.588 12.264 12.290 1.00 0.73 C ATOM 950 CG GLU A 47 8.051 12.076 13.724 1.00 0.98 C ATOM 951 CD GLU A 47 7.141 11.171 14.530 1.00 1.64 C ATOM 952 OE1 GLU A 47 7.339 9.942 14.491 1.00 2.26 O ATOM 953 OE2 GLU A 47 6.231 11.689 15.210 1.00 2.03 O ATOM 0 H GLU A 47 5.722 10.669 11.950 1.00 0.67 H new ATOM 0 HA GLU A 47 5.871 13.286 13.059 1.00 0.67 H new ATOM 0 HB2 GLU A 47 7.715 11.325 11.750 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.228 13.000 11.804 1.00 0.73 H new ATOM 0 HG2 GLU A 47 9.058 11.660 13.722 1.00 0.98 H new ATOM 0 HG3 GLU A 47 8.109 13.049 14.211 1.00 0.98 H new ATOM 960 N SER A 48 5.741 13.028 9.792 1.00 0.58 N ATOM 961 CA SER A 48 5.444 13.795 8.590 1.00 0.54 C ATOM 962 C SER A 48 4.086 14.473 8.741 1.00 0.51 C ATOM 963 O SER A 48 3.904 15.626 8.354 1.00 0.49 O ATOM 964 CB SER A 48 5.444 12.875 7.368 1.00 0.57 C ATOM 965 OG SER A 48 6.638 12.110 7.312 1.00 1.19 O ATOM 0 H SER A 48 5.772 12.018 9.653 1.00 0.58 H new ATOM 0 HA SER A 48 6.210 14.558 8.450 1.00 0.54 H new ATOM 0 HB2 SER A 48 4.582 12.209 7.409 1.00 0.57 H new ATOM 0 HB3 SER A 48 5.345 13.470 6.460 1.00 0.57 H new ATOM 0 HG SER A 48 7.407 12.689 7.498 1.00 1.19 H new ATOM 971 N ILE A 49 3.152 13.743 9.337 1.00 0.51 N ATOM 972 CA ILE A 49 1.815 14.246 9.620 1.00 0.49 C ATOM 973 C ILE A 49 1.893 15.438 10.571 1.00 0.49 C ATOM 974 O ILE A 49 1.245 16.464 10.371 1.00 0.47 O ATOM 975 CB ILE A 49 0.948 13.125 10.242 1.00 0.51 C ATOM 976 CG1 ILE A 49 0.735 12.004 9.214 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.385 13.674 10.735 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.052 10.768 9.767 1.00 0.55 C ATOM 0 H ILE A 49 3.302 12.780 9.639 1.00 0.51 H new ATOM 0 HA ILE A 49 1.355 14.571 8.687 1.00 0.49 H new ATOM 0 HB ILE A 49 1.472 12.715 11.106 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.141 12.394 8.388 1.00 0.52 H new ATOM 0 HG13 ILE A 49 1.703 11.716 8.803 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.974 12.865 11.167 1.00 0.50 H new ATOM 0 HG22 ILE A 49 -0.206 14.438 11.492 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.929 14.113 9.899 1.00 0.50 H new ATOM 0 HD11 ILE A 49 -0.058 10.028 8.974 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.654 10.349 10.573 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.932 11.037 10.152 1.00 0.55 H new ATOM 985 N ALA A 50 2.716 15.279 11.596 1.00 0.52 N ATOM 986 CA ALA A 50 2.982 16.320 12.576 1.00 0.53 C ATOM 987 C ALA A 50 3.569 17.566 11.933 1.00 0.50 C ATOM 988 O ALA A 50 3.128 18.685 12.208 1.00 0.50 O ATOM 989 CB ALA A 50 3.950 15.788 13.608 1.00 0.57 C ATOM 0 H ALA A 50 3.224 14.412 11.773 1.00 0.52 H new ATOM 0 HA ALA A 50 2.036 16.598 13.040 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.155 16.562 14.347 1.00 0.57 H new ATOM 0 HB2 ALA A 50 3.514 14.920 14.103 1.00 0.57 H new ATOM 0 HB3 ALA A 50 4.880 15.497 13.119 1.00 0.57 H new ATOM 995 N ALA A 51 4.586 17.374 11.103 1.00 0.49 N ATOM 996 CA ALA A 51 5.217 18.480 10.397 1.00 0.48 C ATOM 997 C ALA A 51 4.197 19.197 9.524 1.00 0.45 C ATOM 998 O ALA A 51 4.171 20.427 9.448 1.00 0.47 O ATOM 999 CB ALA A 51 6.374 17.971 9.554 1.00 0.50 C ATOM 0 H ALA A 51 4.992 16.460 10.902 1.00 0.49 H new ATOM 0 HA ALA A 51 5.606 19.189 11.128 1.00 0.48 H new ATOM 0 HB1 ALA A 51 6.838 18.807 9.031 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.111 17.492 10.199 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.004 17.248 8.827 1.00 0.50 H new ATOM 1005 N LEU A 52 3.344 18.406 8.887 1.00 0.42 N ATOM 1006 CA LEU A 52 2.289 18.931 8.033 1.00 0.40 C ATOM 1007 C LEU A 52 1.259 19.700 8.838 1.00 0.39 C ATOM 1008 O LEU A 52 0.764 20.716 8.378 1.00 0.40 O ATOM 1009 CB LEU A 52 1.614 17.807 7.248 1.00 0.40 C ATOM 1010 CG LEU A 52 2.375 17.333 6.013 1.00 0.41 C ATOM 1011 CD1 LEU A 52 1.819 16.009 5.516 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.283 18.380 4.918 1.00 0.41 C ATOM 0 H LEU A 52 3.364 17.388 8.947 1.00 0.42 H new ATOM 0 HA LEU A 52 2.752 19.620 7.327 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.468 16.957 7.914 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.625 18.144 6.939 1.00 0.40 H new ATOM 0 HG LEU A 52 3.421 17.187 6.283 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.375 15.689 4.635 1.00 0.45 H new ATOM 0 HD12 LEU A 52 1.915 15.257 6.299 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.767 16.130 5.257 1.00 0.45 H new ATOM 0 HD21 LEU A 52 2.828 18.036 4.039 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.237 18.542 4.656 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.717 19.315 5.271 1.00 0.41 H new ATOM 1024 N LYS A 53 0.936 19.229 10.032 1.00 0.39 N ATOM 1025 CA LYS A 53 -0.009 19.940 10.885 1.00 0.39 C ATOM 1026 C LYS A 53 0.508 21.325 11.261 1.00 0.40 C ATOM 1027 O LYS A 53 -0.255 22.292 11.312 1.00 0.45 O ATOM 1028 CB LYS A 53 -0.302 19.143 12.149 1.00 0.41 C ATOM 1029 CG LYS A 53 -1.224 17.960 11.928 1.00 0.42 C ATOM 1030 CD LYS A 53 -1.572 17.303 13.247 1.00 0.52 C ATOM 1031 CE LYS A 53 -2.611 16.214 13.074 1.00 0.52 C ATOM 1032 NZ LYS A 53 -3.045 15.665 14.384 1.00 1.22 N ATOM 0 H LYS A 53 1.308 18.367 10.431 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.930 20.059 10.315 1.00 0.39 H new ATOM 0 HB2 LYS A 53 0.639 18.785 12.568 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.749 19.806 12.890 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -2.135 18.290 11.428 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.744 17.236 11.270 1.00 0.42 H new ATOM 0 HD2 LYS A 53 -0.671 16.879 13.691 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.946 18.056 13.941 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -3.474 16.614 12.542 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -2.201 15.412 12.460 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -4.050 15.403 14.335 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -2.479 14.823 14.613 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -2.911 16.384 15.123 1.00 1.22 H new ATOM 1046 N LYS A 54 1.802 21.418 11.530 1.00 0.39 N ATOM 1047 CA LYS A 54 2.406 22.692 11.898 1.00 0.41 C ATOM 1048 C LYS A 54 2.478 23.634 10.698 1.00 0.41 C ATOM 1049 O LYS A 54 2.146 24.817 10.802 1.00 0.47 O ATOM 1050 CB LYS A 54 3.791 22.475 12.508 1.00 0.44 C ATOM 1051 CG LYS A 54 3.739 21.937 13.931 1.00 1.24 C ATOM 1052 CD LYS A 54 5.127 21.747 14.522 1.00 1.63 C ATOM 1053 CE LYS A 54 5.803 20.496 13.989 1.00 2.24 C ATOM 1054 NZ LYS A 54 5.104 19.256 14.426 1.00 3.05 N ATOM 0 H LYS A 54 2.452 20.632 11.501 1.00 0.39 H new ATOM 0 HA LYS A 54 1.772 23.162 12.650 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.352 21.780 11.883 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.336 23.419 12.502 1.00 0.44 H new ATOM 0 HG2 LYS A 54 3.170 22.624 14.557 1.00 1.24 H new ATOM 0 HG3 LYS A 54 3.209 20.985 13.939 1.00 1.24 H new ATOM 0 HD2 LYS A 54 5.742 22.618 14.293 1.00 1.63 H new ATOM 0 HD3 LYS A 54 5.054 21.686 15.608 1.00 1.63 H new ATOM 0 HE2 LYS A 54 5.828 20.533 12.900 1.00 2.24 H new ATOM 0 HE3 LYS A 54 6.838 20.469 14.331 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 5.727 18.436 14.280 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 4.861 19.331 15.434 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 4.235 19.133 13.869 1.00 3.05 H new ATOM 1068 N LYS A 55 2.900 23.099 9.560 1.00 0.42 N ATOM 1069 CA LYS A 55 2.961 23.857 8.315 1.00 0.48 C ATOM 1070 C LYS A 55 1.569 24.200 7.787 1.00 0.47 C ATOM 1071 O LYS A 55 1.304 25.348 7.436 1.00 0.58 O ATOM 1072 CB LYS A 55 3.733 23.073 7.260 1.00 0.55 C ATOM 1073 CG LYS A 55 5.242 23.138 7.401 1.00 1.23 C ATOM 1074 CD LYS A 55 5.761 24.546 7.156 1.00 1.16 C ATOM 1075 CE LYS A 55 7.070 24.521 6.386 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.622 25.884 6.174 1.00 1.48 N ATOM 0 H LYS A 55 3.209 22.131 9.473 1.00 0.42 H new ATOM 0 HA LYS A 55 3.477 24.793 8.528 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.422 22.029 7.303 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.457 23.448 6.274 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.530 22.811 8.400 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.705 22.450 6.694 1.00 1.23 H new ATOM 0 HD2 LYS A 55 5.019 25.118 6.599 1.00 1.16 H new ATOM 0 HD3 LYS A 55 5.906 25.054 8.109 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.797 23.917 6.928 1.00 1.03 H new ATOM 0 HE3 LYS A 55 6.913 24.040 5.420 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 8.300 25.865 5.385 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 6.848 26.541 5.950 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 8.106 26.201 7.038 1.00 1.48 H new ATOM 1090 N SER A 56 0.690 23.227 7.721 1.00 0.39 N ATOM 1091 CA SER A 56 -0.655 23.452 7.217 1.00 0.39 C ATOM 1092 C SER A 56 -1.657 22.579 7.962 1.00 0.38 C ATOM 1093 O SER A 56 -1.826 21.402 7.634 1.00 0.38 O ATOM 1094 CB SER A 56 -0.706 23.166 5.717 1.00 0.40 C ATOM 1095 OG SER A 56 0.199 24.002 5.012 1.00 1.16 O ATOM 0 H SER A 56 0.878 22.267 8.010 1.00 0.39 H new ATOM 0 HA SER A 56 -0.922 24.496 7.384 1.00 0.39 H new ATOM 0 HB2 SER A 56 -0.460 22.120 5.533 1.00 0.40 H new ATOM 0 HB3 SER A 56 -1.719 23.325 5.346 1.00 0.40 H new ATOM 0 HG SER A 56 -0.146 24.171 4.111 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.318 23.158 8.984 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.171 22.423 9.926 1.00 0.43 C ATOM 1103 C PRO A 57 -4.046 21.374 9.251 1.00 0.44 C ATOM 1104 O PRO A 57 -3.990 20.184 9.577 1.00 0.45 O ATOM 1105 CB PRO A 57 -4.045 23.524 10.521 1.00 0.48 C ATOM 1106 CG PRO A 57 -3.191 24.743 10.490 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.287 24.602 9.292 1.00 0.45 C ATOM 0 HA PRO A 57 -2.580 21.865 10.652 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.956 23.664 9.939 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.351 23.280 11.539 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.802 25.643 10.411 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.609 24.832 11.407 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.644 25.196 8.451 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.275 24.940 9.514 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.839 21.849 8.293 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.781 21.014 7.561 1.00 0.51 C ATOM 1117 C GLU A 58 -5.091 19.881 6.807 1.00 0.47 C ATOM 1118 O GLU A 58 -5.638 18.783 6.723 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.596 21.869 6.585 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.604 21.074 5.775 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.314 21.914 4.733 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -9.370 22.506 5.052 1.00 2.42 O ATOM 1123 OE2 GLU A 58 -7.819 21.996 3.592 1.00 2.45 O ATOM 0 H GLU A 58 -4.844 22.827 8.004 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.445 20.559 8.296 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -7.122 22.643 7.145 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -5.914 22.377 5.903 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -7.095 20.246 5.282 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -8.342 20.639 6.449 1.00 1.44 H new ATOM 1130 N LEU A 59 -3.892 20.114 6.276 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.253 19.081 5.471 1.00 0.48 C ATOM 1132 C LEU A 59 -2.844 17.933 6.373 1.00 0.43 C ATOM 1133 O LEU A 59 -2.991 16.761 6.030 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.031 19.607 4.719 1.00 0.56 C ATOM 1135 CG LEU A 59 -2.316 20.615 3.607 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -1.020 20.994 2.910 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -3.314 20.046 2.605 1.00 1.42 C ATOM 0 H LEU A 59 -3.361 20.978 6.384 1.00 0.46 H new ATOM 0 HA LEU A 59 -3.972 18.744 4.724 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -1.357 20.070 5.439 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.501 18.758 4.287 1.00 0.56 H new ATOM 0 HG LEU A 59 -2.755 21.509 4.050 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -1.230 21.713 2.118 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -0.335 21.439 3.632 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -0.564 20.102 2.479 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -3.502 20.780 1.822 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -2.906 19.138 2.161 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -4.248 19.812 3.115 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.335 18.311 7.546 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.958 17.345 8.552 1.00 0.36 C ATOM 1151 C GLY A 60 -3.151 16.564 9.051 1.00 0.35 C ATOM 1152 O GLY A 60 -3.054 15.366 9.301 1.00 0.36 O ATOM 0 H GLY A 60 -2.178 19.283 7.813 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.220 16.658 8.138 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.483 17.857 9.388 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.280 17.244 9.197 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.519 16.589 9.592 1.00 0.42 C ATOM 1158 C ALA A 61 -5.958 15.589 8.526 1.00 0.44 C ATOM 1159 O ALA A 61 -6.427 14.494 8.844 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.609 17.621 9.837 1.00 0.45 C ATOM 0 H ALA A 61 -4.363 18.250 9.048 1.00 0.37 H new ATOM 0 HA ALA A 61 -5.343 16.046 10.520 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.529 17.116 10.131 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -6.297 18.298 10.632 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.784 18.190 8.924 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.794 15.973 7.263 1.00 0.45 N ATOM 1167 CA LYS A 62 -6.118 15.098 6.143 1.00 0.50 C ATOM 1168 C LYS A 62 -5.250 13.849 6.161 1.00 0.54 C ATOM 1169 O LYS A 62 -5.756 12.732 6.239 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.929 15.826 4.811 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.921 16.948 4.571 1.00 0.90 C ATOM 1172 CD LYS A 62 -6.670 17.617 3.233 1.00 1.25 C ATOM 1173 CE LYS A 62 -7.707 18.686 2.938 1.00 1.51 C ATOM 1174 NZ LYS A 62 -7.506 19.297 1.601 1.00 2.17 N ATOM 0 H LYS A 62 -5.437 16.889 6.990 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.163 14.807 6.246 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -4.919 16.234 4.773 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -6.011 15.103 3.999 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -7.936 16.553 4.600 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -6.843 17.685 5.371 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -5.676 18.064 3.230 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -6.685 16.867 2.442 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -8.704 18.249 2.991 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -7.657 19.461 3.703 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -8.244 20.010 1.431 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -6.571 19.751 1.564 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -7.562 18.559 0.870 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.936 14.046 6.107 1.00 0.45 N ATOM 1189 CA VAL A 63 -3.002 12.929 6.060 1.00 0.48 C ATOM 1190 C VAL A 63 -3.088 12.074 7.328 1.00 0.46 C ATOM 1191 O VAL A 63 -2.835 10.869 7.287 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.557 13.422 5.842 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -1.114 14.309 6.988 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.598 12.255 5.649 1.00 1.12 C ATOM 0 H VAL A 63 -3.496 14.966 6.095 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.285 12.306 5.212 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.539 14.016 4.928 1.00 0.48 H new ATOM 0 HG11 VAL A 63 -0.092 14.645 6.814 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.774 15.174 7.055 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -1.157 13.747 7.921 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.412 12.635 5.498 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -0.617 11.618 6.533 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -0.902 11.675 4.778 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.469 12.689 8.444 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.612 11.955 9.694 1.00 0.42 C ATOM 1200 C GLU A 64 -4.760 10.966 9.616 1.00 0.50 C ATOM 1201 O GLU A 64 -4.558 9.766 9.797 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.832 12.886 10.886 1.00 0.42 C ATOM 1203 CG GLU A 64 -4.105 12.129 12.177 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.159 13.023 13.392 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -5.030 13.917 13.447 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -3.329 12.838 14.306 1.00 1.70 O ATOM 0 H GLU A 64 -3.682 13.684 8.507 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.676 11.417 9.845 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -2.952 13.516 11.018 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.670 13.550 10.674 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -5.051 11.596 12.084 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.328 11.378 12.321 1.00 0.53 H new ATOM 1213 N LYS A 65 -5.961 11.463 9.331 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.137 10.605 9.332 1.00 0.69 C ATOM 1215 C LYS A 65 -7.012 9.561 8.230 1.00 0.71 C ATOM 1216 O LYS A 65 -7.490 8.434 8.352 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.416 11.431 9.158 1.00 0.84 C ATOM 1218 CG LYS A 65 -8.473 12.225 7.861 1.00 1.92 C ATOM 1219 CD LYS A 65 -9.757 13.036 7.738 1.00 2.40 C ATOM 1220 CE LYS A 65 -9.680 14.367 8.481 1.00 3.23 C ATOM 1221 NZ LYS A 65 -9.517 14.203 9.949 1.00 3.96 N ATOM 0 H LYS A 65 -6.142 12.440 9.100 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.200 10.096 10.294 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -9.276 10.762 9.200 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -8.507 12.120 9.997 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -7.615 12.896 7.810 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -8.394 11.542 7.015 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -9.966 13.223 6.685 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -10.590 12.453 8.129 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -8.844 14.947 8.091 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -10.586 14.940 8.283 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -9.914 15.031 10.437 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -10.016 13.345 10.260 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -8.506 14.118 10.179 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.334 9.961 7.161 1.00 0.72 N ATOM 1236 CA LEU A 66 -6.072 9.093 6.029 1.00 0.80 C ATOM 1237 C LEU A 66 -5.112 7.973 6.425 1.00 0.76 C ATOM 1238 O LEU A 66 -5.279 6.828 6.012 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.483 9.914 4.880 1.00 0.84 C ATOM 1240 CG LEU A 66 -5.215 9.152 3.586 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -6.510 8.881 2.842 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -4.250 9.933 2.714 1.00 1.37 C ATOM 0 H LEU A 66 -5.951 10.901 7.059 1.00 0.72 H new ATOM 0 HA LEU A 66 -7.009 8.641 5.704 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.164 10.736 4.660 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.547 10.357 5.219 1.00 0.84 H new ATOM 0 HG LEU A 66 -4.764 8.192 3.835 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -6.294 8.337 1.923 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -7.172 8.285 3.470 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -6.995 9.827 2.599 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -4.064 9.381 1.792 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -4.681 10.905 2.475 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -3.310 10.074 3.248 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.132 8.302 7.256 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.141 7.319 7.667 1.00 0.55 C ATOM 1256 C HIS A 67 -3.735 6.445 8.754 1.00 0.44 C ATOM 1257 O HIS A 67 -3.415 5.266 8.868 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.858 7.990 8.169 1.00 0.67 C ATOM 1259 CG HIS A 67 -0.688 7.055 8.223 1.00 0.94 C ATOM 1260 ND1 HIS A 67 -0.059 6.681 9.391 1.00 1.62 N ATOM 1261 CD2 HIS A 67 -0.042 6.408 7.229 1.00 1.85 C ATOM 1262 CE1 HIS A 67 0.920 5.841 9.109 1.00 2.13 C ATOM 1263 NE2 HIS A 67 0.953 5.657 7.804 1.00 2.34 N ATOM 0 H HIS A 67 -4.003 9.232 7.655 1.00 0.52 H new ATOM 0 HA HIS A 67 -2.874 6.710 6.803 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.615 8.829 7.517 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -2.034 8.400 9.164 1.00 0.67 H new ATOM 0 HD1 HIS A 67 -0.310 7.002 10.326 1.00 1.62 H new ATOM 0 HD2 HIS A 67 -0.267 6.470 6.175 1.00 1.85 H new ATOM 0 HE1 HIS A 67 1.583 5.382 9.827 1.00 2.13 H new ATOM 1272 N ALA A 68 -4.611 7.050 9.536 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.335 6.362 10.587 1.00 0.36 C ATOM 1274 C ALA A 68 -6.182 5.229 10.020 1.00 0.34 C ATOM 1275 O ALA A 68 -6.200 4.128 10.572 1.00 0.37 O ATOM 1276 CB ALA A 68 -6.200 7.362 11.330 1.00 0.40 C ATOM 0 H ALA A 68 -4.841 8.041 9.458 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.620 5.917 11.279 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.748 6.852 12.122 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.569 8.136 11.766 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.906 7.818 10.636 1.00 0.40 H new ATOM 1282 N MET A 69 -6.881 5.501 8.917 1.00 0.33 N ATOM 1283 CA MET A 69 -7.654 4.467 8.229 1.00 0.37 C ATOM 1284 C MET A 69 -6.738 3.333 7.806 1.00 0.37 C ATOM 1285 O MET A 69 -6.960 2.178 8.160 1.00 0.42 O ATOM 1286 CB MET A 69 -8.347 5.012 6.981 1.00 0.46 C ATOM 1287 CG MET A 69 -9.364 6.104 7.244 1.00 0.44 C ATOM 1288 SD MET A 69 -10.284 6.541 5.753 1.00 0.72 S ATOM 1289 CE MET A 69 -8.944 6.786 4.586 1.00 0.55 C ATOM 0 H MET A 69 -6.928 6.423 8.483 1.00 0.33 H new ATOM 0 HA MET A 69 -8.412 4.113 8.928 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.588 5.398 6.301 1.00 0.46 H new ATOM 0 HB3 MET A 69 -8.844 4.188 6.469 1.00 0.46 H new ATOM 0 HG2 MET A 69 -10.059 5.774 8.016 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.856 6.988 7.629 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.204 7.590 3.898 1.00 0.55 H new ATOM 0 HE2 MET A 69 -8.035 7.050 5.126 1.00 0.55 H new ATOM 0 HE3 MET A 69 -8.778 5.867 4.024 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.704 3.688 7.051 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.716 2.740 6.572 1.00 0.39 C ATOM 1301 C VAL A 70 -4.176 1.890 7.717 1.00 0.38 C ATOM 1302 O VAL A 70 -4.105 0.663 7.623 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.559 3.499 5.895 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.457 2.551 5.469 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.079 4.291 4.703 1.00 0.70 C ATOM 0 H VAL A 70 -5.531 4.648 6.755 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.193 2.077 5.850 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.135 4.194 6.620 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.655 3.116 4.994 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.066 2.031 6.344 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -2.856 1.824 4.762 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.253 4.824 4.232 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -4.530 3.609 3.982 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -4.827 5.008 5.041 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.829 2.553 8.809 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.299 1.877 9.976 1.00 0.43 C ATOM 1311 C LYS A 71 -4.327 0.972 10.635 1.00 0.44 C ATOM 1312 O LYS A 71 -3.972 -0.060 11.177 1.00 0.45 O ATOM 1313 CB LYS A 71 -2.771 2.881 10.991 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.395 3.414 10.627 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.559 3.717 11.860 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.406 2.488 12.751 1.00 0.75 C ATOM 1317 NZ LYS A 71 0.648 2.680 13.781 1.00 1.47 N ATOM 0 H LYS A 71 -3.907 3.565 8.908 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.478 1.250 9.628 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -3.470 3.714 11.069 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -2.726 2.409 11.973 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -0.875 2.684 10.007 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -1.503 4.320 10.030 1.00 1.22 H new ATOM 0 HD2 LYS A 71 0.426 4.071 11.555 1.00 1.30 H new ATOM 0 HD3 LYS A 71 -1.025 4.523 12.427 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -1.356 2.273 13.239 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -0.160 1.622 12.136 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 0.722 1.823 14.366 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.560 2.860 13.315 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 0.401 3.491 14.384 1.00 1.47 H new ATOM 1331 N SER A 72 -5.596 1.369 10.598 1.00 0.45 N ATOM 1332 CA SER A 72 -6.668 0.558 11.173 1.00 0.49 C ATOM 1333 C SER A 72 -6.679 -0.836 10.554 1.00 0.45 C ATOM 1334 O SER A 72 -6.852 -1.840 11.249 1.00 0.49 O ATOM 1335 CB SER A 72 -8.025 1.236 10.961 1.00 0.56 C ATOM 1336 OG SER A 72 -9.081 0.445 11.482 1.00 1.26 O ATOM 0 H SER A 72 -5.908 2.244 10.178 1.00 0.45 H new ATOM 0 HA SER A 72 -6.485 0.463 12.243 1.00 0.49 H new ATOM 0 HB2 SER A 72 -8.026 2.213 11.445 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.186 1.407 9.897 1.00 0.56 H new ATOM 0 HG SER A 72 -9.935 0.902 11.335 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.481 -0.891 9.246 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.410 -2.159 8.540 1.00 0.38 C ATOM 1344 C LYS A 73 -5.131 -2.897 8.918 1.00 0.33 C ATOM 1345 O LYS A 73 -5.166 -4.079 9.231 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.488 -1.968 7.018 1.00 0.44 C ATOM 1347 CG LYS A 73 -7.861 -1.561 6.496 1.00 0.62 C ATOM 1348 CD LYS A 73 -8.186 -0.111 6.807 1.00 0.78 C ATOM 1349 CE LYS A 73 -9.555 0.292 6.287 1.00 0.88 C ATOM 1350 NZ LYS A 73 -10.647 -0.483 6.930 1.00 1.54 N ATOM 0 H LYS A 73 -6.367 -0.070 8.652 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.271 -2.756 8.839 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.763 -1.209 6.723 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -6.191 -2.898 6.533 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -7.899 -1.717 5.418 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -8.621 -2.205 6.938 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -8.148 0.045 7.885 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -7.426 0.533 6.364 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -9.712 1.356 6.466 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -9.591 0.142 5.208 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -11.564 -0.055 6.690 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -10.623 -1.465 6.589 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -10.519 -0.472 7.962 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.015 -2.194 8.939 1.00 0.28 N ATOM 1365 CA ILE A 74 -2.740 -2.815 9.276 1.00 0.28 C ATOM 1366 C ILE A 74 -2.711 -3.240 10.751 1.00 0.28 C ATOM 1367 O ILE A 74 -2.011 -4.179 11.131 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.571 -1.870 8.932 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.586 -1.606 7.425 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.239 -2.467 9.366 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.512 -0.664 6.936 1.00 0.32 C ATOM 0 H ILE A 74 -3.961 -1.197 8.729 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.624 -3.718 8.676 1.00 0.28 H new ATOM 0 HB ILE A 74 -1.692 -0.930 9.471 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.481 -2.557 6.903 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.559 -1.198 7.152 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.568 -1.780 9.111 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.248 -2.633 10.443 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.082 -3.417 8.854 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.602 -0.538 5.857 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.626 0.303 7.425 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.469 -1.076 7.172 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.514 -2.566 11.561 1.00 0.31 N ATOM 1379 CA ALA A 75 -3.698 -2.933 12.960 1.00 0.32 C ATOM 1380 C ALA A 75 -4.458 -4.249 13.056 1.00 0.32 C ATOM 1381 O ALA A 75 -4.233 -5.062 13.952 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.466 -1.849 13.696 1.00 0.34 C ATOM 0 H ALA A 75 -4.055 -1.752 11.270 1.00 0.31 H new ATOM 0 HA ALA A 75 -2.716 -3.046 13.420 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.595 -2.139 14.739 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -3.911 -0.912 13.645 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.444 -1.717 13.233 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.361 -4.439 12.104 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.186 -5.634 12.023 1.00 0.32 C ATOM 1390 C ALA A 76 -5.474 -6.732 11.243 1.00 0.34 C ATOM 1391 O ALA A 76 -5.987 -7.842 11.097 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.503 -5.293 11.343 1.00 0.35 C ATOM 0 H ALA A 76 -5.542 -3.763 11.362 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.375 -5.998 13.033 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.123 -6.187 11.281 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.024 -4.530 11.921 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.307 -4.917 10.339 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.288 -6.412 10.754 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.527 -7.318 9.913 1.00 0.31 C ATOM 1400 C LEU A 77 -2.555 -8.126 10.767 1.00 0.32 C ATOM 1401 O LEU A 77 -1.940 -7.591 11.698 1.00 0.33 O ATOM 1402 CB LEU A 77 -2.777 -6.492 8.862 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.304 -7.236 7.609 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.422 -8.094 7.031 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -1.841 -6.224 6.576 1.00 0.58 C ATOM 0 H LEU A 77 -3.827 -5.519 10.929 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.194 -8.019 9.411 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.425 -5.674 8.547 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -1.906 -6.044 9.340 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.479 -7.895 7.880 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.061 -8.612 6.142 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -3.740 -8.826 7.773 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.266 -7.459 6.763 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -1.503 -6.746 5.681 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -2.668 -5.562 6.319 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.019 -5.636 6.985 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.447 -9.415 10.475 1.00 0.36 N ATOM 1418 CA GLY A 78 -1.549 -10.275 11.219 1.00 0.42 C ATOM 1419 C GLY A 78 -0.096 -9.901 11.005 1.00 0.46 C ATOM 1420 O GLY A 78 0.250 -9.421 9.931 1.00 0.76 O ATOM 0 H GLY A 78 -2.968 -9.882 9.733 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -1.786 -10.214 12.281 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -1.705 -11.310 10.916 1.00 0.42 H new ATOM 1424 N PRO A 79 0.770 -10.122 12.015 1.00 0.66 N ATOM 1425 CA PRO A 79 2.202 -9.756 11.990 1.00 0.86 C ATOM 1426 C PRO A 79 2.892 -9.957 10.636 1.00 0.60 C ATOM 1427 O PRO A 79 3.665 -9.106 10.196 1.00 0.64 O ATOM 1428 CB PRO A 79 2.790 -10.713 13.020 1.00 1.32 C ATOM 1429 CG PRO A 79 1.719 -10.850 14.043 1.00 1.56 C ATOM 1430 CD PRO A 79 0.410 -10.764 13.298 1.00 1.10 C ATOM 0 HA PRO A 79 2.342 -8.694 12.191 1.00 0.86 H new ATOM 0 HB2 PRO A 79 3.039 -11.675 12.573 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.707 -10.316 13.454 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.804 -11.800 14.571 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.793 -10.061 14.792 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.026 -11.751 13.142 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.324 -10.174 13.847 1.00 1.10 H new ATOM 1438 N GLU A 80 2.612 -11.076 9.981 1.00 0.51 N ATOM 1439 CA GLU A 80 3.243 -11.399 8.708 1.00 0.49 C ATOM 1440 C GLU A 80 2.737 -10.477 7.608 1.00 0.42 C ATOM 1441 O GLU A 80 3.529 -9.856 6.898 1.00 0.49 O ATOM 1442 CB GLU A 80 2.977 -12.855 8.328 1.00 0.70 C ATOM 1443 CG GLU A 80 3.642 -13.275 7.027 1.00 1.25 C ATOM 1444 CD GLU A 80 3.267 -14.681 6.619 1.00 1.79 C ATOM 1445 OE1 GLU A 80 2.109 -14.903 6.208 1.00 2.52 O ATOM 1446 OE2 GLU A 80 4.129 -15.575 6.705 1.00 2.19 O ATOM 0 H GLU A 80 1.950 -11.778 10.312 1.00 0.51 H new ATOM 0 HA GLU A 80 4.318 -11.256 8.820 1.00 0.49 H new ATOM 0 HB2 GLU A 80 3.329 -13.502 9.132 1.00 0.70 H new ATOM 0 HB3 GLU A 80 1.901 -13.009 8.243 1.00 0.70 H new ATOM 0 HG2 GLU A 80 3.358 -12.581 6.236 1.00 1.25 H new ATOM 0 HG3 GLU A 80 4.724 -13.207 7.136 1.00 1.25 H new ATOM 1453 N ALA A 81 1.423 -10.369 7.480 1.00 0.36 N ATOM 1454 CA ALA A 81 0.848 -9.545 6.426 1.00 0.34 C ATOM 1455 C ALA A 81 1.069 -8.070 6.744 1.00 0.31 C ATOM 1456 O ALA A 81 1.264 -7.239 5.857 1.00 0.32 O ATOM 1457 CB ALA A 81 -0.623 -9.871 6.233 1.00 0.36 C ATOM 0 H ALA A 81 0.743 -10.833 8.082 1.00 0.36 H new ATOM 0 HA ALA A 81 1.350 -9.764 5.483 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.034 -9.245 5.441 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -0.730 -10.920 5.958 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.162 -9.682 7.161 1.00 0.36 H new ATOM 1463 N LYS A 82 1.045 -7.779 8.037 1.00 0.31 N ATOM 1464 CA LYS A 82 1.354 -6.460 8.573 1.00 0.33 C ATOM 1465 C LYS A 82 2.748 -6.013 8.149 1.00 0.33 C ATOM 1466 O LYS A 82 2.935 -4.879 7.709 1.00 0.32 O ATOM 1467 CB LYS A 82 1.262 -6.505 10.099 1.00 0.41 C ATOM 1468 CG LYS A 82 1.867 -5.305 10.800 1.00 0.60 C ATOM 1469 CD LYS A 82 1.868 -5.501 12.302 1.00 0.86 C ATOM 1470 CE LYS A 82 2.690 -4.438 12.999 1.00 1.33 C ATOM 1471 NZ LYS A 82 2.747 -4.658 14.465 1.00 2.04 N ATOM 0 H LYS A 82 0.807 -8.463 8.755 1.00 0.31 H new ATOM 0 HA LYS A 82 0.635 -5.742 8.179 1.00 0.33 H new ATOM 0 HB2 LYS A 82 0.213 -6.587 10.385 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.760 -7.407 10.454 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.887 -5.150 10.449 1.00 0.60 H new ATOM 0 HG3 LYS A 82 1.302 -4.408 10.547 1.00 0.60 H new ATOM 0 HD2 LYS A 82 0.844 -5.473 12.674 1.00 0.86 H new ATOM 0 HD3 LYS A 82 2.267 -6.487 12.541 1.00 0.86 H new ATOM 0 HE2 LYS A 82 3.701 -4.436 12.592 1.00 1.33 H new ATOM 0 HE3 LYS A 82 2.262 -3.456 12.795 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 3.319 -3.910 14.906 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 1.784 -4.635 14.857 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 3.178 -5.584 14.661 1.00 2.04 H new ATOM 1485 N GLY A 83 3.718 -6.915 8.273 1.00 0.37 N ATOM 1486 CA GLY A 83 5.078 -6.594 7.892 1.00 0.41 C ATOM 1487 C GLY A 83 5.175 -6.212 6.435 1.00 0.39 C ATOM 1488 O GLY A 83 5.846 -5.239 6.083 1.00 0.41 O ATOM 0 H GLY A 83 3.584 -7.861 8.630 1.00 0.37 H new ATOM 0 HA2 GLY A 83 5.444 -5.773 8.508 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.722 -7.451 8.087 1.00 0.41 H new ATOM 1492 N PHE A 84 4.485 -6.968 5.589 1.00 0.37 N ATOM 1493 CA PHE A 84 4.412 -6.655 4.172 1.00 0.37 C ATOM 1494 C PHE A 84 3.736 -5.303 3.961 1.00 0.34 C ATOM 1495 O PHE A 84 4.248 -4.461 3.229 1.00 0.37 O ATOM 1496 CB PHE A 84 3.661 -7.758 3.414 1.00 0.39 C ATOM 1497 CG PHE A 84 3.083 -7.316 2.095 1.00 0.74 C ATOM 1498 CD1 PHE A 84 3.911 -6.817 1.106 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.723 -7.414 1.837 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.399 -6.421 -0.112 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.207 -7.018 0.616 1.00 1.65 C ATOM 1502 CZ PHE A 84 1.991 -6.477 -0.317 1.00 1.59 C ATOM 0 H PHE A 84 3.968 -7.803 5.863 1.00 0.37 H new ATOM 0 HA PHE A 84 5.427 -6.599 3.777 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.342 -8.591 3.239 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.854 -8.132 4.044 1.00 0.39 H new ATOM 0 HD1 PHE A 84 4.972 -6.736 1.290 1.00 0.71 H new ATOM 0 HD2 PHE A 84 1.061 -7.803 2.597 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.055 -6.074 -0.897 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.154 -7.149 0.416 1.00 1.65 H new ATOM 0 HZ PHE A 84 1.560 -6.083 -1.225 1.00 1.59 H new ATOM 1512 N ALA A 85 2.600 -5.098 4.616 1.00 0.30 N ATOM 1513 CA ALA A 85 1.846 -3.859 4.475 1.00 0.30 C ATOM 1514 C ALA A 85 2.698 -2.647 4.829 1.00 0.32 C ATOM 1515 O ALA A 85 2.904 -1.765 4.003 1.00 0.41 O ATOM 1516 CB ALA A 85 0.604 -3.890 5.346 1.00 0.28 C ATOM 0 H ALA A 85 2.180 -5.776 5.252 1.00 0.30 H new ATOM 0 HA ALA A 85 1.547 -3.772 3.430 1.00 0.30 H new ATOM 0 HB1 ALA A 85 0.053 -2.957 5.228 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.029 -4.725 5.047 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.894 -4.010 6.390 1.00 0.28 H new ATOM 1522 N GLU A 86 3.237 -2.638 6.043 1.00 0.31 N ATOM 1523 CA GLU A 86 3.981 -1.483 6.537 1.00 0.37 C ATOM 1524 C GLU A 86 5.222 -1.219 5.694 1.00 0.44 C ATOM 1525 O GLU A 86 5.705 -0.091 5.626 1.00 0.70 O ATOM 1526 CB GLU A 86 4.379 -1.665 8.005 1.00 0.43 C ATOM 1527 CG GLU A 86 3.195 -1.797 8.947 1.00 0.55 C ATOM 1528 CD GLU A 86 3.574 -1.561 10.396 1.00 0.95 C ATOM 1529 OE1 GLU A 86 4.129 -2.482 11.026 1.00 1.11 O ATOM 1530 OE2 GLU A 86 3.324 -0.447 10.908 1.00 1.96 O ATOM 0 H GLU A 86 3.174 -3.414 6.702 1.00 0.31 H new ATOM 0 HA GLU A 86 3.319 -0.620 6.459 1.00 0.37 H new ATOM 0 HB2 GLU A 86 5.004 -2.553 8.095 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.986 -0.815 8.316 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.423 -1.084 8.656 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.764 -2.793 8.846 1.00 0.55 H new ATOM 1537 N LYS A 87 5.730 -2.256 5.043 1.00 0.41 N ATOM 1538 CA LYS A 87 6.914 -2.125 4.221 1.00 0.49 C ATOM 1539 C LYS A 87 6.551 -1.689 2.800 1.00 0.49 C ATOM 1540 O LYS A 87 7.226 -0.841 2.214 1.00 0.57 O ATOM 1541 CB LYS A 87 7.680 -3.447 4.215 1.00 0.57 C ATOM 1542 CG LYS A 87 8.906 -3.430 3.332 1.00 0.69 C ATOM 1543 CD LYS A 87 9.857 -4.564 3.672 1.00 1.25 C ATOM 1544 CE LYS A 87 10.980 -4.670 2.652 1.00 1.75 C ATOM 1545 NZ LYS A 87 11.702 -3.380 2.474 1.00 2.12 N ATOM 0 H LYS A 87 5.337 -3.197 5.071 1.00 0.41 H new ATOM 0 HA LYS A 87 7.554 -1.350 4.642 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.980 -3.688 5.235 1.00 0.57 H new ATOM 0 HB3 LYS A 87 7.013 -4.242 3.882 1.00 0.57 H new ATOM 0 HG2 LYS A 87 8.604 -3.509 2.288 1.00 0.69 H new ATOM 0 HG3 LYS A 87 9.422 -2.476 3.443 1.00 0.69 H new ATOM 0 HD2 LYS A 87 10.278 -4.403 4.664 1.00 1.25 H new ATOM 0 HD3 LYS A 87 9.307 -5.504 3.709 1.00 1.25 H new ATOM 0 HE2 LYS A 87 11.685 -5.438 2.969 1.00 1.75 H new ATOM 0 HE3 LYS A 87 10.570 -4.990 1.694 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 12.575 -3.543 1.933 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 11.095 -2.711 1.959 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 11.941 -2.984 3.406 1.00 2.12 H new ATOM 1559 N SER A 88 5.481 -2.262 2.254 1.00 0.46 N ATOM 1560 CA SER A 88 5.027 -1.916 0.910 1.00 0.51 C ATOM 1561 C SER A 88 4.520 -0.477 0.853 1.00 0.51 C ATOM 1562 O SER A 88 4.776 0.238 -0.119 1.00 0.57 O ATOM 1563 CB SER A 88 3.941 -2.889 0.441 1.00 0.56 C ATOM 1564 OG SER A 88 2.897 -2.997 1.391 1.00 0.48 O ATOM 0 H SER A 88 4.912 -2.968 2.722 1.00 0.46 H new ATOM 0 HA SER A 88 5.880 -1.998 0.236 1.00 0.51 H new ATOM 0 HB2 SER A 88 3.534 -2.550 -0.512 1.00 0.56 H new ATOM 0 HB3 SER A 88 4.381 -3.871 0.269 1.00 0.56 H new ATOM 0 HG SER A 88 3.192 -3.557 2.139 1.00 0.48 H new ATOM 1570 N ILE A 89 3.811 -0.050 1.902 1.00 0.50 N ATOM 1571 CA ILE A 89 3.333 1.319 1.994 1.00 0.56 C ATOM 1572 C ILE A 89 4.508 2.290 1.923 1.00 0.55 C ATOM 1573 O ILE A 89 4.433 3.321 1.258 1.00 0.59 O ATOM 1574 CB ILE A 89 2.538 1.567 3.300 1.00 0.63 C ATOM 1575 CG1 ILE A 89 1.341 0.610 3.411 1.00 0.83 C ATOM 1576 CG2 ILE A 89 2.066 3.007 3.370 1.00 0.79 C ATOM 1577 CD1 ILE A 89 0.360 0.688 2.259 1.00 1.09 C ATOM 0 H ILE A 89 3.559 -0.638 2.696 1.00 0.50 H new ATOM 0 HA ILE A 89 2.661 1.486 1.152 1.00 0.56 H new ATOM 0 HB ILE A 89 3.206 1.374 4.139 1.00 0.63 H new ATOM 0 HG12 ILE A 89 1.715 -0.411 3.484 1.00 0.83 H new ATOM 0 HG13 ILE A 89 0.809 0.821 4.339 1.00 0.83 H new ATOM 0 HG21 ILE A 89 1.509 3.163 4.294 1.00 0.79 H new ATOM 0 HG22 ILE A 89 2.928 3.674 3.349 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.421 3.220 2.518 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -0.451 -0.022 2.423 1.00 1.09 H new ATOM 0 HD12 ILE A 89 -0.048 1.697 2.196 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.872 0.445 1.328 1.00 1.09 H new ATOM 1584 N GLU A 90 5.606 1.931 2.586 1.00 0.53 N ATOM 1585 CA GLU A 90 6.808 2.758 2.586 1.00 0.60 C ATOM 1586 C GLU A 90 7.395 2.879 1.185 1.00 0.56 C ATOM 1587 O GLU A 90 7.941 3.923 0.826 1.00 0.63 O ATOM 1588 CB GLU A 90 7.866 2.192 3.533 1.00 0.69 C ATOM 1589 CG GLU A 90 7.506 2.314 5.003 1.00 1.28 C ATOM 1590 CD GLU A 90 7.286 3.748 5.439 1.00 2.08 C ATOM 1591 OE1 GLU A 90 8.189 4.587 5.221 1.00 2.41 O ATOM 1592 OE2 GLU A 90 6.212 4.047 6.003 1.00 2.82 O ATOM 0 H GLU A 90 5.687 1.072 3.130 1.00 0.53 H new ATOM 0 HA GLU A 90 6.515 3.749 2.933 1.00 0.60 H new ATOM 0 HB2 GLU A 90 8.027 1.141 3.295 1.00 0.69 H new ATOM 0 HB3 GLU A 90 8.810 2.707 3.356 1.00 0.69 H new ATOM 0 HG2 GLU A 90 6.602 1.737 5.200 1.00 1.28 H new ATOM 0 HG3 GLU A 90 8.302 1.875 5.604 1.00 1.28 H new ATOM 1599 N ILE A 91 7.281 1.814 0.399 1.00 0.47 N ATOM 1600 CA ILE A 91 7.805 1.808 -0.958 1.00 0.46 C ATOM 1601 C ILE A 91 7.045 2.804 -1.828 1.00 0.47 C ATOM 1602 O ILE A 91 7.648 3.642 -2.501 1.00 0.51 O ATOM 1603 CB ILE A 91 7.731 0.403 -1.596 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.464 -0.623 -0.726 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.329 0.428 -2.993 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.439 -2.028 -1.289 1.00 0.45 C ATOM 0 H ILE A 91 6.830 0.944 0.681 1.00 0.47 H new ATOM 0 HA ILE A 91 8.854 2.100 -0.900 1.00 0.46 H new ATOM 0 HB ILE A 91 6.683 0.111 -1.666 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.500 -0.308 -0.604 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.015 -0.631 0.267 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.271 -0.568 -3.432 1.00 0.49 H new ATOM 0 HG22 ILE A 91 7.774 1.131 -3.614 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.372 0.739 -2.937 1.00 0.49 H new ATOM 0 HD11 ILE A 91 8.978 -2.698 -0.619 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.406 -2.363 -1.385 1.00 0.45 H new ATOM 0 HD13 ILE A 91 8.915 -2.036 -2.269 1.00 0.45 H new ATOM 1613 N ALA A 92 5.717 2.733 -1.787 1.00 0.47 N ATOM 1614 CA ALA A 92 4.887 3.648 -2.555 1.00 0.53 C ATOM 1615 C ALA A 92 5.023 5.054 -1.996 1.00 0.60 C ATOM 1616 O ALA A 92 5.023 6.036 -2.740 1.00 0.64 O ATOM 1617 CB ALA A 92 3.433 3.198 -2.532 1.00 0.56 C ATOM 0 H ALA A 92 5.197 2.053 -1.232 1.00 0.47 H new ATOM 0 HA ALA A 92 5.223 3.647 -3.592 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.827 3.895 -3.112 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.354 2.201 -2.965 1.00 0.56 H new ATOM 0 HB3 ALA A 92 3.075 3.176 -1.503 1.00 0.56 H new ATOM 1623 N ARG A 93 5.154 5.134 -0.675 1.00 0.66 N ATOM 1624 CA ARG A 93 5.381 6.393 0.017 1.00 0.77 C ATOM 1625 C ARG A 93 6.628 7.082 -0.513 1.00 0.68 C ATOM 1626 O ARG A 93 6.631 8.291 -0.697 1.00 0.68 O ATOM 1627 CB ARG A 93 5.522 6.143 1.524 1.00 0.99 C ATOM 1628 CG ARG A 93 5.874 7.378 2.340 1.00 1.55 C ATOM 1629 CD ARG A 93 6.110 7.022 3.798 1.00 1.83 C ATOM 1630 NE ARG A 93 6.486 8.185 4.603 1.00 2.71 N ATOM 1631 CZ ARG A 93 6.878 8.114 5.878 1.00 3.44 C ATOM 1632 NH1 ARG A 93 7.031 6.931 6.466 1.00 3.55 N ATOM 1633 NH2 ARG A 93 7.146 9.228 6.555 1.00 4.42 N ATOM 0 H ARG A 93 5.105 4.325 -0.056 1.00 0.66 H new ATOM 0 HA ARG A 93 4.525 7.044 -0.162 1.00 0.77 H new ATOM 0 HB2 ARG A 93 4.586 5.730 1.900 1.00 0.99 H new ATOM 0 HB3 ARG A 93 6.291 5.387 1.683 1.00 0.99 H new ATOM 0 HG2 ARG A 93 6.767 7.847 1.928 1.00 1.55 H new ATOM 0 HG3 ARG A 93 5.068 8.108 2.267 1.00 1.55 H new ATOM 0 HD2 ARG A 93 5.206 6.575 4.211 1.00 1.83 H new ATOM 0 HD3 ARG A 93 6.896 6.269 3.863 1.00 1.83 H new ATOM 0 HE ARG A 93 6.446 9.105 4.164 1.00 2.71 H new ATOM 0 HH11 ARG A 93 6.849 6.074 5.943 1.00 3.55 H new ATOM 0 HH12 ARG A 93 7.330 6.880 7.440 1.00 3.55 H new ATOM 0 HH21 ARG A 93 7.052 10.136 6.100 1.00 4.42 H new ATOM 0 HH22 ARG A 93 7.445 9.174 7.529 1.00 4.42 H new ATOM 1647 N GLY A 94 7.675 6.304 -0.770 1.00 0.66 N ATOM 1648 CA GLY A 94 8.919 6.867 -1.263 1.00 0.65 C ATOM 1649 C GLY A 94 8.794 7.398 -2.676 1.00 0.56 C ATOM 1650 O GLY A 94 9.386 8.421 -3.020 1.00 0.56 O ATOM 0 H GLY A 94 7.684 5.292 -0.645 1.00 0.66 H new ATOM 0 HA2 GLY A 94 9.237 7.673 -0.602 1.00 0.65 H new ATOM 0 HA3 GLY A 94 9.697 6.104 -1.232 1.00 0.65 H new ATOM 1654 N ILE A 95 8.013 6.709 -3.494 1.00 0.52 N ATOM 1655 CA ILE A 95 7.783 7.134 -4.867 1.00 0.48 C ATOM 1656 C ILE A 95 6.982 8.430 -4.886 1.00 0.47 C ATOM 1657 O ILE A 95 7.359 9.405 -5.538 1.00 0.49 O ATOM 1658 CB ILE A 95 7.027 6.053 -5.666 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.833 4.751 -5.704 1.00 0.53 C ATOM 1660 CG2 ILE A 95 6.730 6.536 -7.079 1.00 0.52 C ATOM 1661 CD1 ILE A 95 9.162 4.872 -6.422 1.00 0.55 C ATOM 0 H ILE A 95 7.527 5.852 -3.231 1.00 0.52 H new ATOM 0 HA ILE A 95 8.754 7.295 -5.334 1.00 0.48 H new ATOM 0 HB ILE A 95 6.079 5.859 -5.164 1.00 0.50 H new ATOM 0 HG12 ILE A 95 8.012 4.416 -4.682 1.00 0.53 H new ATOM 0 HG13 ILE A 95 7.237 3.980 -6.192 1.00 0.53 H new ATOM 0 HG21 ILE A 95 6.196 5.758 -7.625 1.00 0.52 H new ATOM 0 HG22 ILE A 95 6.115 7.435 -7.035 1.00 0.52 H new ATOM 0 HG23 ILE A 95 7.666 6.761 -7.591 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.673 3.909 -6.406 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.991 5.175 -7.455 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.779 5.618 -5.922 1.00 0.55 H new ATOM 1668 N LYS A 96 5.889 8.440 -4.138 1.00 0.50 N ATOM 1669 CA LYS A 96 5.038 9.616 -4.034 1.00 0.54 C ATOM 1670 C LYS A 96 5.610 10.622 -3.043 1.00 0.57 C ATOM 1671 O LYS A 96 5.021 11.670 -2.830 1.00 0.83 O ATOM 1672 CB LYS A 96 3.607 9.227 -3.649 1.00 0.64 C ATOM 1673 CG LYS A 96 3.504 8.632 -2.250 1.00 1.47 C ATOM 1674 CD LYS A 96 2.128 8.046 -1.972 1.00 1.78 C ATOM 1675 CE LYS A 96 1.053 9.124 -1.918 1.00 1.90 C ATOM 1676 NZ LYS A 96 1.295 10.101 -0.819 1.00 2.70 N ATOM 0 H LYS A 96 5.569 7.641 -3.591 1.00 0.50 H new ATOM 0 HA LYS A 96 5.007 10.091 -5.015 1.00 0.54 H new ATOM 0 HB2 LYS A 96 2.969 10.108 -3.710 1.00 0.64 H new ATOM 0 HB3 LYS A 96 3.226 8.506 -4.373 1.00 0.64 H new ATOM 0 HG2 LYS A 96 4.258 7.854 -2.132 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.724 9.404 -1.512 1.00 1.47 H new ATOM 0 HD2 LYS A 96 1.878 7.322 -2.748 1.00 1.78 H new ATOM 0 HD3 LYS A 96 2.148 7.505 -1.026 1.00 1.78 H new ATOM 0 HE2 LYS A 96 1.021 9.652 -2.871 1.00 1.90 H new ATOM 0 HE3 LYS A 96 0.078 8.657 -1.779 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 0.454 10.153 -0.209 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 2.113 9.794 -0.255 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 1.487 11.039 -1.225 1.00 2.70 H new ATOM 1690 N ALA A 97 6.769 10.325 -2.480 1.00 0.50 N ATOM 1691 CA ALA A 97 7.545 11.330 -1.761 1.00 0.53 C ATOM 1692 C ALA A 97 8.386 12.101 -2.753 1.00 0.46 C ATOM 1693 O ALA A 97 8.717 13.267 -2.543 1.00 0.48 O ATOM 1694 CB ALA A 97 8.429 10.687 -0.706 1.00 0.63 C ATOM 0 H ALA A 97 7.196 9.399 -2.505 1.00 0.50 H new ATOM 0 HA ALA A 97 6.862 12.008 -1.249 1.00 0.53 H new ATOM 0 HB1 ALA A 97 8.996 11.459 -0.186 1.00 0.63 H new ATOM 0 HB2 ALA A 97 7.808 10.149 0.010 1.00 0.63 H new ATOM 0 HB3 ALA A 97 9.118 9.991 -1.184 1.00 0.63 H new ATOM 1700 N ARG A 98 8.698 11.450 -3.859 1.00 0.41 N ATOM 1701 CA ARG A 98 9.400 12.094 -4.952 1.00 0.44 C ATOM 1702 C ARG A 98 8.402 12.773 -5.879 1.00 0.44 C ATOM 1703 O ARG A 98 8.785 13.428 -6.841 1.00 0.53 O ATOM 1704 CB ARG A 98 10.274 11.094 -5.703 1.00 0.51 C ATOM 1705 CG ARG A 98 11.432 10.553 -4.882 1.00 1.02 C ATOM 1706 CD ARG A 98 12.108 9.389 -5.583 1.00 0.81 C ATOM 1707 NE ARG A 98 12.458 9.710 -6.967 1.00 1.51 N ATOM 1708 CZ ARG A 98 12.821 8.802 -7.873 1.00 1.94 C ATOM 1709 NH1 ARG A 98 12.924 7.524 -7.532 1.00 1.37 N ATOM 1710 NH2 ARG A 98 13.093 9.174 -9.117 1.00 3.10 N ATOM 0 H ARG A 98 8.474 10.469 -4.023 1.00 0.41 H new ATOM 0 HA ARG A 98 10.063 12.858 -4.546 1.00 0.44 H new ATOM 0 HB2 ARG A 98 9.654 10.260 -6.033 1.00 0.51 H new ATOM 0 HB3 ARG A 98 10.669 11.572 -6.599 1.00 0.51 H new ATOM 0 HG2 ARG A 98 12.159 11.346 -4.707 1.00 1.02 H new ATOM 0 HG3 ARG A 98 11.070 10.232 -3.906 1.00 1.02 H new ATOM 0 HD2 ARG A 98 13.009 9.111 -5.037 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.446 8.523 -5.568 1.00 0.81 H new ATOM 0 HE ARG A 98 12.422 10.688 -7.256 1.00 1.51 H new ATOM 0 HH11 ARG A 98 12.725 7.234 -6.575 1.00 1.37 H new ATOM 0 HH12 ARG A 98 13.202 6.831 -8.227 1.00 1.37 H new ATOM 0 HH21 ARG A 98 13.025 10.157 -9.382 1.00 3.10 H new ATOM 0 HH22 ARG A 98 13.371 8.477 -9.808 1.00 3.10 H new ATOM 1724 N TYR A 99 7.124 12.642 -5.569 1.00 0.44 N ATOM 1725 CA TYR A 99 6.120 13.488 -6.189 1.00 0.50 C ATOM 1726 C TYR A 99 5.903 14.741 -5.345 1.00 0.54 C ATOM 1727 O TYR A 99 5.447 15.763 -5.844 1.00 0.64 O ATOM 1728 CB TYR A 99 4.800 12.738 -6.400 1.00 0.53 C ATOM 1729 CG TYR A 99 4.769 11.924 -7.678 1.00 0.59 C ATOM 1730 CD1 TYR A 99 4.978 12.514 -8.919 1.00 0.73 C ATOM 1731 CD2 TYR A 99 4.527 10.557 -7.636 1.00 0.60 C ATOM 1732 CE1 TYR A 99 4.947 11.762 -10.078 1.00 0.85 C ATOM 1733 CE2 TYR A 99 4.495 9.799 -8.789 1.00 0.71 C ATOM 1734 CZ TYR A 99 4.714 10.453 -10.038 1.00 0.83 C ATOM 1735 OH TYR A 99 4.678 9.654 -11.161 1.00 0.97 O ATOM 0 H TYR A 99 6.760 11.965 -4.899 1.00 0.44 H new ATOM 0 HA TYR A 99 6.484 13.781 -7.173 1.00 0.50 H new ATOM 0 HB2 TYR A 99 4.627 12.076 -5.552 1.00 0.53 H new ATOM 0 HB3 TYR A 99 3.981 13.457 -6.416 1.00 0.53 H new ATOM 0 HD1 TYR A 99 5.167 13.576 -8.978 1.00 0.73 H new ATOM 0 HD2 TYR A 99 4.361 10.078 -6.683 1.00 0.60 H new ATOM 0 HE1 TYR A 99 5.114 12.244 -11.030 1.00 0.85 H new ATOM 0 HE2 TYR A 99 4.309 8.736 -8.747 1.00 0.71 H new ATOM 0 HH TYR A 99 4.733 8.713 -10.895 1.00 0.97 H new ATOM 1745 N TYR A 100 6.253 14.660 -4.063 1.00 0.51 N ATOM 1746 CA TYR A 100 6.170 15.823 -3.185 1.00 0.58 C ATOM 1747 C TYR A 100 7.428 16.677 -3.300 1.00 0.58 C ATOM 1748 O TYR A 100 7.355 17.898 -3.406 1.00 0.71 O ATOM 1749 CB TYR A 100 5.970 15.409 -1.725 1.00 0.57 C ATOM 1750 CG TYR A 100 4.625 14.779 -1.442 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.453 15.413 -1.815 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.527 13.546 -0.812 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.220 14.848 -1.568 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.297 12.970 -0.562 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.162 13.614 -0.897 1.00 1.21 C ATOM 1756 OH TYR A 100 0.914 13.069 -0.690 1.00 1.48 O ATOM 0 H TYR A 100 6.593 13.810 -3.613 1.00 0.51 H new ATOM 0 HA TYR A 100 5.306 16.406 -3.503 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.755 14.705 -1.447 1.00 0.57 H new ATOM 0 HB3 TYR A 100 6.089 16.287 -1.090 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.505 16.371 -2.310 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.427 13.029 -0.513 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.315 15.345 -1.884 1.00 1.26 H new ATOM 0 HE2 TYR A 100 3.245 11.998 -0.095 1.00 1.16 H new ATOM 0 HH TYR A 100 0.359 13.704 -0.191 1.00 1.48 H new ATOM 1766 N THR A 101 8.580 16.018 -3.288 1.00 0.55 N ATOM 1767 CA THR A 101 9.871 16.697 -3.305 1.00 0.66 C ATOM 1768 C THR A 101 10.175 17.369 -4.644 1.00 0.71 C ATOM 1769 O THR A 101 11.006 18.276 -4.717 1.00 0.71 O ATOM 1770 CB THR A 101 11.001 15.704 -2.986 1.00 0.71 C ATOM 1771 OG1 THR A 101 10.836 14.507 -3.753 1.00 0.65 O ATOM 1772 CG2 THR A 101 11.019 15.368 -1.501 1.00 0.87 C ATOM 0 H THR A 101 8.647 15.000 -3.266 1.00 0.55 H new ATOM 0 HA THR A 101 9.815 17.475 -2.544 1.00 0.66 H new ATOM 0 HB THR A 101 11.951 16.170 -3.249 1.00 0.71 H new ATOM 0 HG1 THR A 101 10.189 13.920 -3.308 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.826 14.664 -1.297 1.00 0.87 H new ATOM 0 HG22 THR A 101 11.178 16.279 -0.924 1.00 0.87 H new ATOM 0 HG23 THR A 101 10.067 14.920 -1.218 1.00 0.87 H new ATOM 1780 N GLY A 102 9.507 16.921 -5.703 1.00 0.82 N ATOM 1781 CA GLY A 102 9.808 17.417 -7.037 1.00 0.95 C ATOM 1782 C GLY A 102 10.724 16.488 -7.818 1.00 0.95 C ATOM 1783 O GLY A 102 11.082 16.772 -8.963 1.00 1.16 O ATOM 0 H GLY A 102 8.763 16.224 -5.663 1.00 0.82 H new ATOM 0 HA2 GLY A 102 8.877 17.550 -7.589 1.00 0.95 H new ATOM 0 HA3 GLY A 102 10.275 18.399 -6.958 1.00 0.95 H new ATOM 1787 N ASN A 103 11.091 15.367 -7.209 1.00 0.82 N ATOM 1788 CA ASN A 103 11.992 14.405 -7.842 1.00 0.89 C ATOM 1789 C ASN A 103 11.202 13.337 -8.590 1.00 0.98 C ATOM 1790 O ASN A 103 11.359 12.143 -8.323 1.00 1.83 O ATOM 1791 CB ASN A 103 12.898 13.739 -6.800 1.00 0.90 C ATOM 1792 CG ASN A 103 13.911 14.692 -6.200 1.00 1.28 C ATOM 1793 OD1 ASN A 103 13.566 15.287 -5.070 1.00 1.76 O flip ATOM 1794 ND2 ASN A 103 15.006 14.870 -6.737 1.00 1.65 N flip ATOM 0 H ASN A 103 10.779 15.099 -6.276 1.00 0.82 H new ATOM 0 HA ASN A 103 12.613 14.950 -8.553 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.281 13.324 -6.003 1.00 0.90 H new ATOM 0 HB3 ASN A 103 13.423 12.904 -7.264 1.00 0.90 H new ATOM 0 HD21 ASN A 103 15.230 14.390 -7.609 1.00 1.65 H new ATOM 0 HD22 ASN A 103 15.688 15.497 -6.310 1.00 1.65 H new ATOM 1801 N GLU A 104 10.365 13.791 -9.523 1.00 0.56 N ATOM 1802 CA GLU A 104 9.460 12.921 -10.285 1.00 0.56 C ATOM 1803 C GLU A 104 10.146 11.641 -10.759 1.00 0.49 C ATOM 1804 O GLU A 104 11.172 11.689 -11.443 1.00 0.55 O ATOM 1805 CB GLU A 104 8.916 13.675 -11.495 1.00 0.67 C ATOM 1806 CG GLU A 104 8.240 14.986 -11.147 1.00 0.80 C ATOM 1807 CD GLU A 104 8.043 15.860 -12.363 1.00 1.15 C ATOM 1808 OE1 GLU A 104 9.034 16.417 -12.875 1.00 1.17 O ATOM 1809 OE2 GLU A 104 6.886 15.999 -12.809 1.00 1.75 O ATOM 0 H GLU A 104 10.293 14.777 -9.775 1.00 0.56 H new ATOM 0 HA GLU A 104 8.648 12.636 -9.616 1.00 0.56 H new ATOM 0 HB2 GLU A 104 9.735 13.872 -12.187 1.00 0.67 H new ATOM 0 HB3 GLU A 104 8.203 13.037 -12.018 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.274 14.784 -10.685 1.00 0.80 H new ATOM 0 HG3 GLU A 104 8.841 15.519 -10.410 1.00 0.80 H new ATOM 1816 N PRO A 105 9.587 10.484 -10.383 1.00 0.44 N ATOM 1817 CA PRO A 105 10.125 9.176 -10.769 1.00 0.44 C ATOM 1818 C PRO A 105 9.806 8.827 -12.223 1.00 0.42 C ATOM 1819 O PRO A 105 8.836 9.332 -12.789 1.00 0.47 O ATOM 1820 CB PRO A 105 9.396 8.217 -9.826 1.00 0.48 C ATOM 1821 CG PRO A 105 8.103 8.887 -9.528 1.00 0.53 C ATOM 1822 CD PRO A 105 8.387 10.362 -9.533 1.00 0.49 C ATOM 0 HA PRO A 105 11.212 9.138 -10.695 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.239 7.245 -10.294 1.00 0.48 H new ATOM 0 HB3 PRO A 105 9.971 8.044 -8.916 1.00 0.48 H new ATOM 0 HG2 PRO A 105 7.351 8.632 -10.275 1.00 0.53 H new ATOM 0 HG3 PRO A 105 7.713 8.569 -8.561 1.00 0.53 H new ATOM 0 HD2 PRO A 105 7.550 10.930 -9.939 1.00 0.49 H new ATOM 0 HD3 PRO A 105 8.569 10.738 -8.526 1.00 0.49 H new ATOM 1830 N THR A 106 10.613 7.969 -12.826 1.00 0.42 N ATOM 1831 CA THR A 106 10.316 7.473 -14.160 1.00 0.42 C ATOM 1832 C THR A 106 9.563 6.148 -14.041 1.00 0.39 C ATOM 1833 O THR A 106 9.349 5.670 -12.924 1.00 0.41 O ATOM 1834 CB THR A 106 11.596 7.297 -15.009 1.00 0.50 C ATOM 1835 OG1 THR A 106 11.258 6.965 -16.364 1.00 1.48 O ATOM 1836 CG2 THR A 106 12.486 6.216 -14.428 1.00 1.05 C ATOM 0 H THR A 106 11.473 7.604 -12.417 1.00 0.42 H new ATOM 0 HA THR A 106 9.696 8.208 -14.673 1.00 0.42 H new ATOM 0 HB THR A 106 12.138 8.242 -14.996 1.00 0.50 H new ATOM 0 HG1 THR A 106 12.079 6.859 -16.889 1.00 1.48 H new ATOM 0 HG21 THR A 106 13.380 6.111 -15.043 1.00 1.05 H new ATOM 0 HG22 THR A 106 12.774 6.489 -13.413 1.00 1.05 H new ATOM 0 HG23 THR A 106 11.945 5.270 -14.410 1.00 1.05 H new ATOM 1844 N LYS A 107 9.161 5.548 -15.157 1.00 0.39 N ATOM 1845 CA LYS A 107 8.364 4.330 -15.084 1.00 0.39 C ATOM 1846 C LYS A 107 9.150 3.205 -14.413 1.00 0.36 C ATOM 1847 O LYS A 107 8.574 2.367 -13.729 1.00 0.38 O ATOM 1848 CB LYS A 107 7.865 3.890 -16.466 1.00 0.43 C ATOM 1849 CG LYS A 107 8.977 3.554 -17.451 1.00 1.33 C ATOM 1850 CD LYS A 107 8.432 2.914 -18.719 1.00 1.66 C ATOM 1851 CE LYS A 107 7.523 3.858 -19.493 1.00 2.22 C ATOM 1852 NZ LYS A 107 8.260 5.035 -20.020 1.00 2.88 N ATOM 0 H LYS A 107 9.368 5.875 -16.101 1.00 0.39 H new ATOM 0 HA LYS A 107 7.488 4.553 -14.475 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.223 3.017 -16.348 1.00 0.43 H new ATOM 0 HB3 LYS A 107 7.249 4.684 -16.888 1.00 0.43 H new ATOM 0 HG2 LYS A 107 9.523 4.462 -17.707 1.00 1.33 H new ATOM 0 HG3 LYS A 107 9.689 2.877 -16.979 1.00 1.33 H new ATOM 0 HD2 LYS A 107 9.262 2.608 -19.356 1.00 1.66 H new ATOM 0 HD3 LYS A 107 7.879 2.011 -18.460 1.00 1.66 H new ATOM 0 HE2 LYS A 107 7.062 3.319 -20.321 1.00 2.22 H new ATOM 0 HE3 LYS A 107 6.716 4.197 -18.844 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 7.650 5.561 -20.678 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 8.534 5.655 -19.231 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 9.113 4.715 -20.521 1.00 2.88 H new ATOM 1866 N ASP A 108 10.472 3.216 -14.584 1.00 0.36 N ATOM 1867 CA ASP A 108 11.333 2.191 -13.994 1.00 0.38 C ATOM 1868 C ASP A 108 11.239 2.216 -12.472 1.00 0.36 C ATOM 1869 O ASP A 108 11.230 1.166 -11.827 1.00 0.38 O ATOM 1870 CB ASP A 108 12.788 2.386 -14.433 1.00 0.47 C ATOM 1871 CG ASP A 108 13.708 1.303 -13.896 1.00 1.29 C ATOM 1872 OD1 ASP A 108 13.775 0.215 -14.506 1.00 1.26 O ATOM 1873 OD2 ASP A 108 14.373 1.536 -12.867 1.00 2.24 O ATOM 0 H ASP A 108 10.970 3.923 -15.126 1.00 0.36 H new ATOM 0 HA ASP A 108 10.989 1.220 -14.349 1.00 0.38 H new ATOM 0 HB2 ASP A 108 12.838 2.393 -15.522 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.140 3.359 -14.091 1.00 0.47 H new ATOM 1878 N ASP A 109 11.149 3.419 -11.906 1.00 0.36 N ATOM 1879 CA ASP A 109 10.979 3.585 -10.463 1.00 0.37 C ATOM 1880 C ASP A 109 9.655 2.988 -10.016 1.00 0.34 C ATOM 1881 O ASP A 109 9.581 2.274 -9.016 1.00 0.36 O ATOM 1882 CB ASP A 109 11.008 5.065 -10.073 1.00 0.39 C ATOM 1883 CG ASP A 109 12.377 5.695 -10.197 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.206 5.524 -9.278 1.00 0.94 O ATOM 1885 OD2 ASP A 109 12.643 6.347 -11.230 1.00 1.73 O ATOM 0 H ASP A 109 11.191 4.295 -12.426 1.00 0.36 H new ATOM 0 HA ASP A 109 11.804 3.069 -9.972 1.00 0.37 H new ATOM 0 HB2 ASP A 109 10.307 5.612 -10.703 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.661 5.168 -9.045 1.00 0.39 H new ATOM 1890 N LEU A 110 8.612 3.286 -10.780 1.00 0.30 N ATOM 1891 CA LEU A 110 7.269 2.812 -10.478 1.00 0.30 C ATOM 1892 C LEU A 110 7.178 1.299 -10.637 1.00 0.29 C ATOM 1893 O LEU A 110 6.571 0.612 -9.817 1.00 0.33 O ATOM 1894 CB LEU A 110 6.256 3.502 -11.390 1.00 0.30 C ATOM 1895 CG LEU A 110 6.160 5.018 -11.223 1.00 0.38 C ATOM 1896 CD1 LEU A 110 5.462 5.640 -12.418 1.00 0.82 C ATOM 1897 CD2 LEU A 110 5.409 5.354 -9.952 1.00 0.82 C ATOM 0 H LEU A 110 8.673 3.860 -11.621 1.00 0.30 H new ATOM 0 HA LEU A 110 7.041 3.058 -9.441 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.514 3.282 -12.426 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.272 3.069 -11.208 1.00 0.30 H new ATOM 0 HG LEU A 110 7.169 5.425 -11.158 1.00 0.38 H new ATOM 0 HD11 LEU A 110 5.402 6.720 -12.283 1.00 0.82 H new ATOM 0 HD12 LEU A 110 6.025 5.418 -13.324 1.00 0.82 H new ATOM 0 HD13 LEU A 110 4.456 5.229 -12.506 1.00 0.82 H new ATOM 0 HD21 LEU A 110 5.346 6.437 -9.842 1.00 0.82 H new ATOM 0 HD22 LEU A 110 4.404 4.935 -10.002 1.00 0.82 H new ATOM 0 HD23 LEU A 110 5.936 4.932 -9.096 1.00 0.82 H new ATOM 1909 N LYS A 111 7.790 0.780 -11.689 1.00 0.28 N ATOM 1910 CA LYS A 111 7.827 -0.656 -11.912 1.00 0.31 C ATOM 1911 C LYS A 111 8.537 -1.344 -10.757 1.00 0.33 C ATOM 1912 O LYS A 111 8.097 -2.384 -10.274 1.00 0.35 O ATOM 1913 CB LYS A 111 8.524 -0.980 -13.235 1.00 0.37 C ATOM 1914 CG LYS A 111 7.776 -0.461 -14.451 1.00 0.93 C ATOM 1915 CD LYS A 111 8.489 -0.809 -15.750 1.00 0.92 C ATOM 1916 CE LYS A 111 8.598 -2.312 -15.943 1.00 1.02 C ATOM 1917 NZ LYS A 111 9.157 -2.661 -17.273 1.00 1.74 N ATOM 0 H LYS A 111 8.268 1.331 -12.402 1.00 0.28 H new ATOM 0 HA LYS A 111 6.803 -1.025 -11.967 1.00 0.31 H new ATOM 0 HB2 LYS A 111 9.526 -0.552 -13.224 1.00 0.37 H new ATOM 0 HB3 LYS A 111 8.639 -2.060 -13.322 1.00 0.37 H new ATOM 0 HG2 LYS A 111 6.771 -0.882 -14.465 1.00 0.93 H new ATOM 0 HG3 LYS A 111 7.668 0.621 -14.375 1.00 0.93 H new ATOM 0 HD2 LYS A 111 7.949 -0.372 -16.590 1.00 0.92 H new ATOM 0 HD3 LYS A 111 9.486 -0.369 -15.748 1.00 0.92 H new ATOM 0 HE2 LYS A 111 9.231 -2.733 -15.162 1.00 1.02 H new ATOM 0 HE3 LYS A 111 7.612 -2.764 -15.834 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 9.215 -3.695 -17.365 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 8.540 -2.281 -18.019 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 10.108 -2.251 -17.368 1.00 1.74 H new ATOM 1931 N ALA A 112 9.628 -0.741 -10.305 1.00 0.36 N ATOM 1932 CA ALA A 112 10.380 -1.264 -9.175 1.00 0.42 C ATOM 1933 C ALA A 112 9.553 -1.227 -7.895 1.00 0.43 C ATOM 1934 O ALA A 112 9.616 -2.149 -7.080 1.00 0.47 O ATOM 1935 CB ALA A 112 11.671 -0.482 -8.990 1.00 0.46 C ATOM 0 H ALA A 112 10.012 0.114 -10.706 1.00 0.36 H new ATOM 0 HA ALA A 112 10.624 -2.305 -9.389 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.222 -0.885 -8.141 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.279 -0.566 -9.890 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.438 0.567 -8.806 1.00 0.46 H new ATOM 1941 N SER A 113 8.785 -0.157 -7.709 1.00 0.41 N ATOM 1942 CA SER A 113 7.998 0.001 -6.493 1.00 0.45 C ATOM 1943 C SER A 113 6.892 -1.045 -6.376 1.00 0.40 C ATOM 1944 O SER A 113 6.580 -1.487 -5.273 1.00 0.44 O ATOM 1945 CB SER A 113 7.421 1.417 -6.385 1.00 0.54 C ATOM 1946 OG SER A 113 6.607 1.756 -7.495 1.00 1.34 O ATOM 0 H SER A 113 8.692 0.606 -8.379 1.00 0.41 H new ATOM 0 HA SER A 113 8.680 -0.157 -5.657 1.00 0.45 H new ATOM 0 HB2 SER A 113 6.835 1.498 -5.470 1.00 0.54 H new ATOM 0 HB3 SER A 113 8.238 2.134 -6.305 1.00 0.54 H new ATOM 0 HG SER A 113 6.587 1.007 -8.127 1.00 1.34 H new ATOM 1952 N VAL A 114 6.310 -1.469 -7.496 1.00 0.36 N ATOM 1953 CA VAL A 114 5.235 -2.450 -7.444 1.00 0.36 C ATOM 1954 C VAL A 114 5.830 -3.852 -7.421 1.00 0.35 C ATOM 1955 O VAL A 114 5.238 -4.800 -6.909 1.00 0.37 O ATOM 1956 CB VAL A 114 4.274 -2.315 -8.652 1.00 0.36 C ATOM 1957 CG1 VAL A 114 3.820 -0.877 -8.825 1.00 0.65 C ATOM 1958 CG2 VAL A 114 4.904 -2.828 -9.935 1.00 0.56 C ATOM 0 H VAL A 114 6.561 -1.154 -8.433 1.00 0.36 H new ATOM 0 HA VAL A 114 4.658 -2.269 -6.537 1.00 0.36 H new ATOM 0 HB VAL A 114 3.402 -2.934 -8.440 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.146 -0.808 -9.679 1.00 0.65 H new ATOM 0 HG12 VAL A 114 3.300 -0.549 -7.925 1.00 0.65 H new ATOM 0 HG13 VAL A 114 4.688 -0.239 -8.995 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.198 -2.715 -10.758 1.00 0.56 H new ATOM 0 HG22 VAL A 114 5.807 -2.256 -10.151 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.161 -3.881 -9.819 1.00 0.56 H new ATOM 1962 N LYS A 115 7.026 -3.950 -7.970 1.00 0.35 N ATOM 1963 CA LYS A 115 7.756 -5.197 -8.085 1.00 0.37 C ATOM 1964 C LYS A 115 8.052 -5.794 -6.720 1.00 0.35 C ATOM 1965 O LYS A 115 7.844 -6.989 -6.494 1.00 0.37 O ATOM 1966 CB LYS A 115 9.058 -4.913 -8.820 1.00 0.48 C ATOM 1967 CG LYS A 115 9.456 -5.975 -9.822 1.00 0.84 C ATOM 1968 CD LYS A 115 10.381 -5.383 -10.868 1.00 0.81 C ATOM 1969 CE LYS A 115 11.720 -4.981 -10.270 1.00 1.16 C ATOM 1970 NZ LYS A 115 12.630 -4.387 -11.286 1.00 1.72 N ATOM 0 H LYS A 115 7.526 -3.149 -8.356 1.00 0.35 H new ATOM 0 HA LYS A 115 7.151 -5.920 -8.632 1.00 0.37 H new ATOM 0 HB2 LYS A 115 8.968 -3.958 -9.338 1.00 0.48 H new ATOM 0 HB3 LYS A 115 9.858 -4.804 -8.088 1.00 0.48 H new ATOM 0 HG2 LYS A 115 9.952 -6.800 -9.311 1.00 0.84 H new ATOM 0 HG3 LYS A 115 8.567 -6.385 -10.301 1.00 0.84 H new ATOM 0 HD2 LYS A 115 10.541 -6.109 -11.665 1.00 0.81 H new ATOM 0 HD3 LYS A 115 9.908 -4.512 -11.321 1.00 0.81 H new ATOM 0 HE2 LYS A 115 11.557 -4.263 -9.466 1.00 1.16 H new ATOM 0 HE3 LYS A 115 12.195 -5.855 -9.825 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 13.531 -4.127 -10.836 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 12.807 -5.080 -12.041 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 12.189 -3.538 -11.693 1.00 1.72 H new ATOM 1984 N GLU A 116 8.523 -4.964 -5.803 1.00 0.36 N ATOM 1985 CA GLU A 116 8.909 -5.452 -4.490 1.00 0.38 C ATOM 1986 C GLU A 116 7.697 -5.809 -3.641 1.00 0.37 C ATOM 1987 O GLU A 116 7.748 -6.761 -2.871 1.00 0.38 O ATOM 1988 CB GLU A 116 9.801 -4.458 -3.751 1.00 0.43 C ATOM 1989 CG GLU A 116 11.112 -4.178 -4.456 1.00 0.80 C ATOM 1990 CD GLU A 116 12.137 -3.553 -3.538 1.00 1.30 C ATOM 1991 OE1 GLU A 116 12.806 -4.304 -2.795 1.00 1.32 O ATOM 1992 OE2 GLU A 116 12.283 -2.315 -3.554 1.00 2.27 O ATOM 0 H GLU A 116 8.646 -3.961 -5.941 1.00 0.36 H new ATOM 0 HA GLU A 116 9.486 -6.362 -4.657 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.259 -3.521 -3.624 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.010 -4.843 -2.753 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.510 -5.109 -4.861 1.00 0.80 H new ATOM 0 HG3 GLU A 116 10.932 -3.514 -5.301 1.00 0.80 H new ATOM 1999 N VAL A 117 6.598 -5.087 -3.790 1.00 0.36 N ATOM 2000 CA VAL A 117 5.401 -5.406 -3.023 1.00 0.38 C ATOM 2001 C VAL A 117 4.871 -6.790 -3.409 1.00 0.38 C ATOM 2002 O VAL A 117 4.385 -7.528 -2.559 1.00 0.43 O ATOM 2003 CB VAL A 117 4.286 -4.339 -3.166 1.00 0.43 C ATOM 2004 CG1 VAL A 117 4.871 -2.941 -3.099 1.00 0.81 C ATOM 2005 CG2 VAL A 117 3.472 -4.527 -4.429 1.00 0.78 C ATOM 0 H VAL A 117 6.508 -4.291 -4.421 1.00 0.36 H new ATOM 0 HA VAL A 117 5.695 -5.410 -1.973 1.00 0.38 H new ATOM 0 HB VAL A 117 3.603 -4.470 -2.327 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.072 -2.207 -3.201 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.371 -2.801 -2.141 1.00 0.81 H new ATOM 0 HG13 VAL A 117 5.591 -2.809 -3.907 1.00 0.81 H new ATOM 0 HG21 VAL A 117 2.704 -3.756 -4.485 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.126 -4.451 -5.298 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.000 -5.509 -4.415 1.00 0.78 H new ATOM 2009 N LEU A 118 5.001 -7.170 -4.673 1.00 0.36 N ATOM 2010 CA LEU A 118 4.641 -8.524 -5.074 1.00 0.36 C ATOM 2011 C LEU A 118 5.720 -9.507 -4.654 1.00 0.36 C ATOM 2012 O LEU A 118 5.425 -10.658 -4.351 1.00 0.38 O ATOM 2013 CB LEU A 118 4.385 -8.637 -6.581 1.00 0.41 C ATOM 2014 CG LEU A 118 2.976 -8.251 -7.034 1.00 0.49 C ATOM 2015 CD1 LEU A 118 2.868 -6.760 -7.265 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.597 -9.009 -8.294 1.00 0.88 C ATOM 0 H LEU A 118 5.346 -6.574 -5.425 1.00 0.36 H new ATOM 0 HA LEU A 118 3.709 -8.770 -4.565 1.00 0.36 H new ATOM 0 HB2 LEU A 118 5.103 -8.005 -7.103 1.00 0.41 H new ATOM 0 HB3 LEU A 118 4.580 -9.664 -6.890 1.00 0.41 H new ATOM 0 HG LEU A 118 2.281 -8.522 -6.239 1.00 0.49 H new ATOM 0 HD11 LEU A 118 1.856 -6.514 -7.586 1.00 1.21 H new ATOM 0 HD12 LEU A 118 3.093 -6.231 -6.339 1.00 1.21 H new ATOM 0 HD13 LEU A 118 3.577 -6.459 -8.037 1.00 1.21 H new ATOM 0 HD21 LEU A 118 1.592 -8.722 -8.602 1.00 0.88 H new ATOM 0 HD22 LEU A 118 3.303 -8.769 -9.089 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.624 -10.081 -8.096 1.00 0.88 H new ATOM 2028 N LYS A 119 6.962 -9.044 -4.600 1.00 0.36 N ATOM 2029 CA LYS A 119 8.069 -9.881 -4.188 1.00 0.37 C ATOM 2030 C LYS A 119 7.845 -10.335 -2.754 1.00 0.36 C ATOM 2031 O LYS A 119 8.138 -11.470 -2.388 1.00 0.38 O ATOM 2032 CB LYS A 119 9.377 -9.100 -4.322 1.00 0.39 C ATOM 2033 CG LYS A 119 10.582 -9.825 -3.763 1.00 0.43 C ATOM 2034 CD LYS A 119 11.869 -9.025 -3.934 1.00 0.67 C ATOM 2035 CE LYS A 119 11.818 -7.690 -3.202 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.104 -6.946 -3.310 1.00 0.95 N ATOM 0 H LYS A 119 7.224 -8.087 -4.839 1.00 0.36 H new ATOM 0 HA LYS A 119 8.132 -10.763 -4.825 1.00 0.37 H new ATOM 0 HB2 LYS A 119 9.553 -8.882 -5.375 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.272 -8.143 -3.811 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.422 -10.029 -2.704 1.00 0.43 H new ATOM 0 HG3 LYS A 119 10.687 -10.789 -4.261 1.00 0.43 H new ATOM 0 HD2 LYS A 119 12.710 -9.610 -3.562 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.047 -8.849 -4.995 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.012 -7.082 -3.612 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.585 -7.861 -2.151 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.001 -6.008 -2.872 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 13.854 -7.476 -2.821 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.357 -6.834 -4.313 1.00 0.95 H new ATOM 2050 N LEU A 120 7.314 -9.429 -1.953 1.00 0.36 N ATOM 2051 CA LEU A 120 6.923 -9.738 -0.599 1.00 0.37 C ATOM 2052 C LEU A 120 5.609 -10.513 -0.548 1.00 0.36 C ATOM 2053 O LEU A 120 5.511 -11.526 0.149 1.00 0.38 O ATOM 2054 CB LEU A 120 6.786 -8.449 0.206 1.00 0.39 C ATOM 2055 CG LEU A 120 8.093 -7.883 0.754 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.040 -7.468 -0.355 1.00 1.06 C ATOM 2057 CD2 LEU A 120 7.811 -6.717 1.685 1.00 0.99 C ATOM 0 H LEU A 120 7.144 -8.461 -2.227 1.00 0.36 H new ATOM 0 HA LEU A 120 7.700 -10.368 -0.167 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.318 -7.694 -0.425 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.109 -8.631 1.041 1.00 0.39 H new ATOM 0 HG LEU A 120 8.586 -8.675 1.318 1.00 0.42 H new ATOM 0 HD11 LEU A 120 9.957 -7.071 0.080 1.00 1.06 H new ATOM 0 HD12 LEU A 120 9.277 -8.333 -0.974 1.00 1.06 H new ATOM 0 HD13 LEU A 120 8.568 -6.701 -0.969 1.00 1.06 H new ATOM 0 HD21 LEU A 120 8.752 -6.322 2.069 1.00 0.99 H new ATOM 0 HD22 LEU A 120 7.285 -5.934 1.139 1.00 0.99 H new ATOM 0 HD23 LEU A 120 7.193 -7.056 2.517 1.00 0.99 H new ATOM 2069 N TYR A 121 4.600 -10.048 -1.283 1.00 0.35 N ATOM 2070 CA TYR A 121 3.251 -10.571 -1.102 1.00 0.36 C ATOM 2071 C TYR A 121 3.106 -11.985 -1.666 1.00 0.38 C ATOM 2072 O TYR A 121 2.450 -12.836 -1.062 1.00 0.41 O ATOM 2073 CB TYR A 121 2.213 -9.602 -1.685 1.00 0.37 C ATOM 2074 CG TYR A 121 0.854 -10.208 -1.972 1.00 0.56 C ATOM 2075 CD1 TYR A 121 -0.140 -10.236 -1.003 1.00 0.84 C ATOM 2076 CD2 TYR A 121 0.569 -10.745 -3.220 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -1.382 -10.784 -1.274 1.00 1.13 C ATOM 2078 CE2 TYR A 121 -0.665 -11.294 -3.496 1.00 1.05 C ATOM 2079 CZ TYR A 121 -1.637 -11.312 -2.523 1.00 1.23 C ATOM 2080 OH TYR A 121 -2.865 -11.865 -2.799 1.00 1.54 O ATOM 0 H TYR A 121 4.689 -9.324 -1.996 1.00 0.35 H new ATOM 0 HA TYR A 121 3.062 -10.651 -0.032 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.084 -8.772 -0.990 1.00 0.37 H new ATOM 0 HB3 TYR A 121 2.609 -9.184 -2.610 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.059 -9.825 -0.024 1.00 0.84 H new ATOM 0 HD2 TYR A 121 1.328 -10.732 -3.989 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -2.147 -10.798 -0.512 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -0.868 -11.708 -4.473 1.00 1.05 H new ATOM 0 HH TYR A 121 -2.965 -11.974 -3.768 1.00 1.54 H new ATOM 2090 N LYS A 122 3.726 -12.238 -2.812 1.00 0.40 N ATOM 2091 CA LYS A 122 3.690 -13.561 -3.423 1.00 0.45 C ATOM 2092 C LYS A 122 4.416 -14.567 -2.539 1.00 0.43 C ATOM 2093 O LYS A 122 3.999 -15.717 -2.401 1.00 0.46 O ATOM 2094 CB LYS A 122 4.350 -13.528 -4.804 1.00 0.52 C ATOM 2095 CG LYS A 122 3.608 -12.668 -5.822 1.00 0.60 C ATOM 2096 CD LYS A 122 2.216 -13.206 -6.121 1.00 1.21 C ATOM 2097 CE LYS A 122 1.504 -12.347 -7.154 1.00 1.27 C ATOM 2098 NZ LYS A 122 0.170 -12.889 -7.522 1.00 1.98 N ATOM 0 H LYS A 122 4.260 -11.545 -3.337 1.00 0.40 H new ATOM 0 HA LYS A 122 2.648 -13.861 -3.532 1.00 0.45 H new ATOM 0 HB2 LYS A 122 5.369 -13.154 -4.700 1.00 0.52 H new ATOM 0 HB3 LYS A 122 4.422 -14.546 -5.186 1.00 0.52 H new ATOM 0 HG2 LYS A 122 3.529 -11.648 -5.445 1.00 0.60 H new ATOM 0 HG3 LYS A 122 4.185 -12.622 -6.746 1.00 0.60 H new ATOM 0 HD2 LYS A 122 2.290 -14.231 -6.485 1.00 1.21 H new ATOM 0 HD3 LYS A 122 1.630 -13.236 -5.203 1.00 1.21 H new ATOM 0 HE2 LYS A 122 1.387 -11.336 -6.763 1.00 1.27 H new ATOM 0 HE3 LYS A 122 2.122 -12.273 -8.049 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 -0.350 -12.182 -8.080 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 0.290 -13.754 -8.086 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 -0.365 -13.110 -6.658 1.00 1.98 H new ATOM 2112 N ALA A 123 5.494 -14.089 -1.922 1.00 0.42 N ATOM 2113 CA ALA A 123 6.372 -14.912 -1.098 1.00 0.43 C ATOM 2114 C ALA A 123 5.766 -15.257 0.256 1.00 0.43 C ATOM 2115 O ALA A 123 6.389 -15.977 1.040 1.00 0.70 O ATOM 2116 CB ALA A 123 7.707 -14.211 -0.899 1.00 0.49 C ATOM 0 H ALA A 123 5.784 -13.113 -1.981 1.00 0.42 H new ATOM 0 HA ALA A 123 6.516 -15.851 -1.633 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.356 -14.833 -0.283 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.178 -14.044 -1.868 1.00 0.49 H new ATOM 0 HB3 ALA A 123 7.545 -13.254 -0.404 1.00 0.49 H new ATOM 2122 N MET A 124 4.573 -14.759 0.552 1.00 0.44 N ATOM 2123 CA MET A 124 3.912 -15.166 1.783 1.00 0.42 C ATOM 2124 C MET A 124 3.295 -16.543 1.568 1.00 0.42 C ATOM 2125 O MET A 124 2.987 -16.887 0.427 1.00 0.42 O ATOM 2126 CB MET A 124 2.858 -14.143 2.220 1.00 0.41 C ATOM 2127 CG MET A 124 3.466 -12.890 2.836 1.00 0.45 C ATOM 2128 SD MET A 124 2.247 -11.803 3.605 1.00 0.50 S ATOM 2129 CE MET A 124 1.381 -11.169 2.173 1.00 0.46 C ATOM 0 H MET A 124 4.057 -14.093 -0.023 1.00 0.44 H new ATOM 0 HA MET A 124 4.645 -15.216 2.588 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.254 -13.861 1.358 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.186 -14.607 2.942 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.203 -13.183 3.584 1.00 0.45 H new ATOM 0 HG3 MET A 124 3.999 -12.336 2.063 1.00 0.45 H new ATOM 0 HE1 MET A 124 0.387 -10.833 2.468 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.937 -10.331 1.753 1.00 0.46 H new ATOM 0 HE3 MET A 124 1.290 -11.956 1.425 1.00 0.46 H new ATOM 2139 N SER A 125 3.130 -17.334 2.624 1.00 0.47 N ATOM 2140 CA SER A 125 2.610 -18.695 2.482 1.00 0.54 C ATOM 2141 C SER A 125 1.283 -18.701 1.715 1.00 0.58 C ATOM 2142 O SER A 125 1.259 -18.977 0.513 1.00 0.92 O ATOM 2143 CB SER A 125 2.453 -19.353 3.853 1.00 0.62 C ATOM 2144 OG SER A 125 3.640 -19.220 4.620 1.00 1.18 O ATOM 0 H SER A 125 3.346 -17.061 3.583 1.00 0.47 H new ATOM 0 HA SER A 125 3.329 -19.276 1.904 1.00 0.54 H new ATOM 0 HB2 SER A 125 1.619 -18.897 4.386 1.00 0.62 H new ATOM 0 HB3 SER A 125 2.213 -20.409 3.728 1.00 0.62 H new ATOM 0 HG SER A 125 3.515 -19.647 5.493 1.00 1.18 H new ATOM 2150 N ASP A 126 0.189 -18.371 2.390 1.00 0.44 N ATOM 2151 CA ASP A 126 -1.106 -18.255 1.722 1.00 0.43 C ATOM 2152 C ASP A 126 -2.133 -17.607 2.636 1.00 0.39 C ATOM 2153 O ASP A 126 -2.834 -16.681 2.230 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.619 -19.616 1.245 1.00 0.47 C ATOM 2155 CG ASP A 126 -2.968 -19.513 0.561 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -3.005 -19.187 -0.644 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -3.999 -19.758 1.225 1.00 1.81 O ATOM 0 H ASP A 126 0.169 -18.180 3.392 1.00 0.44 H new ATOM 0 HA ASP A 126 -0.960 -17.620 0.848 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -0.897 -20.053 0.556 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -1.696 -20.292 2.097 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.198 -18.078 3.870 1.00 0.38 N ATOM 2163 CA ALA A 127 -3.152 -17.552 4.840 1.00 0.37 C ATOM 2164 C ALA A 127 -2.917 -16.067 5.081 1.00 0.33 C ATOM 2165 O ALA A 127 -3.860 -15.300 5.276 1.00 0.34 O ATOM 2166 CB ALA A 127 -3.056 -18.327 6.147 1.00 0.42 C ATOM 0 H ALA A 127 -1.602 -18.825 4.227 1.00 0.38 H new ATOM 0 HA ALA A 127 -4.156 -17.674 4.435 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.773 -17.924 6.862 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.278 -19.378 5.964 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -2.048 -18.234 6.552 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.653 -15.676 5.033 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.279 -14.295 5.255 1.00 0.31 C ATOM 2174 C GLY A 128 -1.576 -13.411 4.063 1.00 0.29 C ATOM 2175 O GLY A 128 -2.057 -12.291 4.223 1.00 0.30 O ATOM 0 H GLY A 128 -0.869 -16.300 4.841 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.812 -13.914 6.126 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.215 -14.243 5.484 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.315 -13.911 2.857 1.00 0.32 N ATOM 2180 CA LYS A 129 -1.532 -13.103 1.661 1.00 0.39 C ATOM 2181 C LYS A 129 -3.024 -12.912 1.408 1.00 0.35 C ATOM 2182 O LYS A 129 -3.457 -11.846 0.973 1.00 0.36 O ATOM 2183 CB LYS A 129 -0.840 -13.702 0.422 1.00 0.56 C ATOM 2184 CG LYS A 129 -1.289 -15.106 0.055 1.00 0.58 C ATOM 2185 CD LYS A 129 -1.001 -15.424 -1.408 1.00 0.59 C ATOM 2186 CE LYS A 129 0.490 -15.535 -1.700 1.00 0.94 C ATOM 2187 NZ LYS A 129 0.984 -16.935 -1.588 1.00 1.32 N ATOM 0 H LYS A 129 -0.960 -14.852 2.684 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.078 -12.128 1.841 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -1.019 -13.045 -0.429 1.00 0.56 H new ATOM 0 HB3 LYS A 129 0.236 -13.714 0.595 1.00 0.56 H new ATOM 0 HG2 LYS A 129 -0.780 -15.829 0.692 1.00 0.58 H new ATOM 0 HG3 LYS A 129 -2.357 -15.209 0.247 1.00 0.58 H new ATOM 0 HD2 LYS A 129 -1.491 -16.360 -1.676 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -1.434 -14.646 -2.037 1.00 0.59 H new ATOM 0 HE2 LYS A 129 0.690 -15.160 -2.704 1.00 0.94 H new ATOM 0 HE3 LYS A 129 1.042 -14.900 -1.007 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 1.721 -16.985 -0.856 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 0.196 -17.562 -1.329 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 1.381 -17.237 -2.501 1.00 1.32 H new ATOM 2201 N ALA A 130 -3.810 -13.940 1.702 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.256 -13.858 1.555 1.00 0.37 C ATOM 2203 C ALA A 130 -5.860 -12.986 2.649 1.00 0.33 C ATOM 2204 O ALA A 130 -6.950 -12.432 2.489 1.00 0.38 O ATOM 2205 CB ALA A 130 -5.870 -15.247 1.590 1.00 0.42 C ATOM 0 H ALA A 130 -3.470 -14.839 2.043 1.00 0.35 H new ATOM 0 HA ALA A 130 -5.477 -13.401 0.590 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -6.952 -15.170 1.479 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -5.463 -15.845 0.775 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.636 -15.724 2.542 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.143 -12.864 3.758 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.606 -12.051 4.873 1.00 0.29 C ATOM 2213 C ASP A 131 -5.345 -10.582 4.578 1.00 0.27 C ATOM 2214 O ASP A 131 -6.123 -9.710 4.962 1.00 0.30 O ATOM 2215 CB ASP A 131 -4.923 -12.485 6.169 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.485 -11.796 7.392 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.660 -12.042 7.727 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.766 -10.972 7.997 1.00 0.45 O ATOM 0 H ASP A 131 -4.241 -13.316 3.909 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.679 -12.192 5.001 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -5.029 -13.564 6.286 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.856 -12.275 6.099 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.266 -10.329 3.848 1.00 0.24 N ATOM 2224 CA PHE A 132 -3.965 -8.989 3.361 1.00 0.22 C ATOM 2225 C PHE A 132 -5.083 -8.509 2.440 1.00 0.23 C ATOM 2226 O PHE A 132 -5.352 -7.311 2.342 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.622 -8.983 2.621 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.294 -7.673 1.958 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.817 -6.605 2.700 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.464 -7.512 0.591 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.514 -5.402 2.092 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.163 -6.312 -0.022 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.689 -5.255 0.730 1.00 0.36 C ATOM 0 H PHE A 132 -3.583 -11.037 3.579 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.893 -8.310 4.211 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -1.829 -9.230 3.327 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.632 -9.768 1.865 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.680 -6.714 3.766 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -2.836 -8.335 -0.001 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -1.141 -4.577 2.681 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.298 -6.200 -1.088 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.455 -4.314 0.253 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.746 -9.459 1.791 1.00 0.22 N ATOM 2244 CA GLY A 133 -6.822 -9.133 0.877 1.00 0.24 C ATOM 2245 C GLY A 133 -8.047 -8.572 1.572 1.00 0.23 C ATOM 2246 O GLY A 133 -8.908 -7.976 0.931 1.00 0.27 O ATOM 0 H GLY A 133 -5.555 -10.457 1.883 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.463 -8.408 0.147 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.104 -10.029 0.324 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.136 -8.761 2.880 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.256 -8.248 3.642 1.00 0.29 C ATOM 2252 C LYS A 134 -8.976 -6.813 4.059 1.00 0.30 C ATOM 2253 O LYS A 134 -9.855 -5.947 4.029 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.458 -9.112 4.878 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.493 -10.596 4.575 1.00 0.63 C ATOM 2256 CD LYS A 134 -9.249 -11.414 5.826 1.00 1.29 C ATOM 2257 CE LYS A 134 -9.050 -12.879 5.496 1.00 1.61 C ATOM 2258 NZ LYS A 134 -8.558 -13.646 6.669 1.00 2.43 N ATOM 0 H LYS A 134 -7.444 -9.267 3.433 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.157 -8.272 3.029 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.655 -8.912 5.587 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.391 -8.826 5.364 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -10.460 -10.860 4.147 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -8.737 -10.835 3.827 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -8.370 -11.034 6.346 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -10.094 -11.304 6.506 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -9.992 -13.305 5.152 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -8.339 -12.974 4.675 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -7.932 -14.411 6.346 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -8.031 -13.011 7.303 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -9.366 -14.054 7.181 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.732 -6.581 4.445 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.290 -5.270 4.901 1.00 0.31 C ATOM 2274 C GLN A 135 -7.042 -4.329 3.725 1.00 0.30 C ATOM 2275 O GLN A 135 -7.445 -3.166 3.758 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.029 -5.417 5.754 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.306 -5.762 7.212 1.00 0.51 C ATOM 2278 CD GLN A 135 -7.230 -6.946 7.408 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -6.791 -8.092 7.455 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.517 -6.674 7.550 1.00 0.75 N ATOM 0 H GLN A 135 -7.001 -7.292 4.452 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.081 -4.831 5.509 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.398 -6.193 5.321 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -5.464 -4.486 5.712 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -5.359 -5.969 7.710 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -6.741 -4.891 7.703 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -8.842 -5.708 7.505 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.184 -7.430 7.705 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.397 -4.832 2.684 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.162 -4.047 1.477 1.00 0.26 C ATOM 2291 C PHE A 136 -6.637 -4.821 0.249 1.00 0.23 C ATOM 2292 O PHE A 136 -5.837 -5.382 -0.504 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.681 -3.668 1.351 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.251 -2.603 2.325 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.575 -1.276 2.094 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.536 -2.923 3.473 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.196 -0.291 2.984 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.159 -1.941 4.364 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.488 -0.624 4.121 1.00 0.58 C ATOM 0 H PHE A 136 -6.026 -5.781 2.648 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.734 -3.122 1.545 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.071 -4.558 1.505 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.488 -3.321 0.336 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.131 -1.009 1.207 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.273 -3.952 3.669 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -4.453 0.740 2.791 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.605 -2.203 5.253 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.192 0.145 4.819 1.00 0.58 H new ATOM 2309 N PRO A 137 -7.964 -4.839 0.033 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.602 -5.662 -1.004 1.00 0.30 C ATOM 2311 C PRO A 137 -8.201 -5.268 -2.417 1.00 0.29 C ATOM 2312 O PRO A 137 -8.048 -6.126 -3.285 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.103 -5.413 -0.800 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.223 -4.816 0.559 1.00 0.63 C ATOM 2315 CD PRO A 137 -8.954 -4.053 0.784 1.00 0.34 C ATOM 0 HA PRO A 137 -8.304 -6.706 -0.908 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.497 -4.739 -1.561 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.669 -6.342 -0.873 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.090 -4.159 0.622 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.353 -5.590 1.316 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -9.025 -3.031 0.412 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -8.702 -3.990 1.843 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.026 -3.970 -2.642 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.739 -3.460 -3.977 1.00 0.36 C ATOM 2325 C PHE A 138 -6.418 -4.007 -4.509 1.00 0.35 C ATOM 2326 O PHE A 138 -6.312 -4.365 -5.679 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.702 -1.930 -3.977 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.652 -1.341 -5.359 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -8.812 -1.142 -6.090 1.00 1.21 C ATOM 2330 CD2 PHE A 138 -6.440 -0.979 -5.919 1.00 1.56 C ATOM 2331 CE1 PHE A 138 -8.761 -0.592 -7.355 1.00 1.88 C ATOM 2332 CE2 PHE A 138 -6.382 -0.428 -7.183 1.00 2.23 C ATOM 2333 CZ PHE A 138 -7.574 -0.275 -7.920 1.00 2.31 C ATOM 0 H PHE A 138 -8.078 -3.253 -1.918 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.541 -3.797 -4.633 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.583 -1.551 -3.459 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -6.832 -1.594 -3.414 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -9.766 -1.420 -5.666 1.00 1.21 H new ATOM 0 HD2 PHE A 138 -5.528 -1.129 -5.360 1.00 1.56 H new ATOM 0 HE1 PHE A 138 -9.677 -0.413 -7.898 1.00 1.88 H new ATOM 0 HE2 PHE A 138 -5.436 -0.118 -7.602 1.00 2.23 H new ATOM 0 HZ PHE A 138 -7.539 0.095 -8.934 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.417 -4.081 -3.647 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.107 -4.549 -4.065 1.00 0.36 C ATOM 2345 C LEU A 139 -4.110 -6.060 -4.248 1.00 0.33 C ATOM 2346 O LEU A 139 -3.628 -6.563 -5.259 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.034 -4.125 -3.062 1.00 0.40 C ATOM 2348 CG LEU A 139 -2.884 -2.613 -2.885 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -1.871 -2.299 -1.795 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.476 -1.959 -4.201 1.00 0.86 C ATOM 0 H LEU A 139 -5.486 -3.825 -2.662 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.871 -4.090 -5.025 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.266 -4.569 -2.094 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.076 -4.536 -3.380 1.00 0.40 H new ATOM 0 HG LEU A 139 -3.849 -2.205 -2.583 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.779 -1.219 -1.684 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.204 -2.733 -0.852 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -0.903 -2.720 -2.066 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -2.374 -0.883 -4.057 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.524 -2.373 -4.533 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -3.238 -2.153 -4.955 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.689 -6.777 -3.289 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.781 -8.235 -3.374 1.00 0.28 C ATOM 2364 C ALA A 140 -5.561 -8.644 -4.619 1.00 0.28 C ATOM 2365 O ALA A 140 -5.304 -9.688 -5.219 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.432 -8.797 -2.125 1.00 0.25 C ATOM 0 H ALA A 140 -5.101 -6.376 -2.446 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.774 -8.645 -3.449 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.493 -9.882 -2.204 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -4.836 -8.529 -1.252 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.435 -8.384 -2.020 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.527 -7.809 -4.979 1.00 0.26 N ATOM 2373 CA LYS A 141 -7.227 -7.909 -6.250 1.00 0.27 C ATOM 2374 C LYS A 141 -6.246 -7.957 -7.417 1.00 0.29 C ATOM 2375 O LYS A 141 -6.047 -9.000 -8.047 1.00 0.30 O ATOM 2376 CB LYS A 141 -8.131 -6.683 -6.419 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.929 -6.679 -7.713 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.721 -5.391 -7.873 1.00 1.15 C ATOM 2379 CE LYS A 141 -10.522 -5.388 -9.164 1.00 1.76 C ATOM 2380 NZ LYS A 141 -11.298 -4.132 -9.335 1.00 2.58 N ATOM 0 H LYS A 141 -6.848 -7.039 -4.392 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.814 -8.828 -6.248 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.822 -6.635 -5.577 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.517 -5.783 -6.379 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -8.253 -6.800 -8.559 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.610 -7.530 -7.725 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -10.395 -5.269 -7.025 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -9.040 -4.540 -7.864 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -9.847 -5.515 -10.010 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -11.203 -6.239 -9.170 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -11.830 -4.171 -10.228 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -11.961 -4.023 -8.541 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -10.647 -3.322 -9.356 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.629 -6.809 -7.686 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.800 -6.622 -8.863 1.00 0.36 C ATOM 2396 C VAL A 142 -3.555 -7.507 -8.863 1.00 0.37 C ATOM 2397 O VAL A 142 -3.100 -7.929 -9.924 1.00 0.44 O ATOM 2398 CB VAL A 142 -4.398 -5.139 -9.019 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -5.574 -4.236 -8.712 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -3.214 -4.779 -8.151 1.00 0.48 C ATOM 0 H VAL A 142 -5.693 -5.984 -7.090 1.00 0.31 H new ATOM 0 HA VAL A 142 -5.406 -6.925 -9.716 1.00 0.36 H new ATOM 0 HB VAL A 142 -4.098 -4.990 -10.056 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -5.273 -3.195 -8.827 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -6.391 -4.456 -9.400 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.906 -4.407 -7.688 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.966 -3.727 -8.292 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.463 -4.956 -7.105 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -2.358 -5.394 -8.429 1.00 0.48 H new ATOM 2404 N PHE A 143 -3.016 -7.803 -7.685 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.785 -8.596 -7.601 1.00 0.36 C ATOM 2406 C PHE A 143 -2.005 -10.002 -8.147 1.00 0.40 C ATOM 2407 O PHE A 143 -1.079 -10.638 -8.653 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.259 -8.695 -6.163 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.793 -7.398 -5.559 1.00 0.34 C ATOM 2410 CD1 PHE A 143 -0.539 -6.305 -6.372 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.607 -7.265 -4.190 1.00 0.58 C ATOM 2412 CE1 PHE A 143 -0.110 -5.109 -5.836 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.177 -6.069 -3.649 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.065 -5.015 -4.412 1.00 0.39 C ATOM 0 H PHE A 143 -3.401 -7.513 -6.786 1.00 0.33 H new ATOM 0 HA PHE A 143 -1.041 -8.078 -8.207 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -2.047 -9.108 -5.533 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.431 -9.404 -6.144 1.00 0.36 H new ATOM 0 HD1 PHE A 143 -0.679 -6.391 -7.439 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -0.801 -8.106 -3.541 1.00 0.58 H new ATOM 0 HE1 PHE A 143 0.090 -4.260 -6.473 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.035 -5.992 -2.581 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.393 -4.087 -3.966 1.00 0.39 H new ATOM 2424 N GLU A 144 -3.233 -10.485 -8.035 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.561 -11.837 -8.459 1.00 0.45 C ATOM 2426 C GLU A 144 -4.023 -11.872 -9.911 1.00 0.45 C ATOM 2427 O GLU A 144 -4.127 -12.942 -10.509 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.640 -12.426 -7.552 1.00 0.47 C ATOM 2429 CG GLU A 144 -4.186 -12.600 -6.114 1.00 0.60 C ATOM 2430 CD GLU A 144 -2.966 -13.490 -6.000 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -3.102 -14.723 -6.124 1.00 1.55 O ATOM 2432 OE2 GLU A 144 -1.860 -12.962 -5.774 1.00 2.58 O ATOM 0 H GLU A 144 -4.020 -9.960 -7.653 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.656 -12.439 -8.381 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.516 -11.778 -7.573 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -4.949 -13.393 -7.948 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.962 -11.623 -5.685 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -5.000 -13.026 -5.527 1.00 0.60 H new ATOM 2439 N SER A 145 -4.298 -10.711 -10.479 1.00 0.43 N ATOM 2440 CA SER A 145 -4.745 -10.629 -11.859 1.00 0.49 C ATOM 2441 C SER A 145 -3.743 -9.826 -12.689 1.00 0.57 C ATOM 2442 O SER A 145 -4.117 -8.937 -13.456 1.00 1.32 O ATOM 2443 CB SER A 145 -6.136 -9.987 -11.909 1.00 0.50 C ATOM 2444 OG SER A 145 -6.677 -9.999 -13.221 1.00 1.29 O ATOM 0 H SER A 145 -4.220 -9.811 -10.006 1.00 0.43 H new ATOM 0 HA SER A 145 -4.808 -11.632 -12.282 1.00 0.49 H new ATOM 0 HB2 SER A 145 -6.806 -10.520 -11.235 1.00 0.50 H new ATOM 0 HB3 SER A 145 -6.075 -8.959 -11.551 1.00 0.50 H new ATOM 0 HG SER A 145 -6.074 -9.521 -13.828 1.00 1.29 H new ATOM 2450 N GLY A 146 -2.464 -10.144 -12.527 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.424 -9.427 -13.235 1.00 0.78 C ATOM 2452 C GLY A 146 -1.275 -8.011 -12.722 1.00 0.70 C ATOM 2453 O GLY A 146 -0.654 -7.795 -11.684 1.00 1.09 O ATOM 0 H GLY A 146 -2.129 -10.889 -11.915 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -0.477 -9.956 -13.125 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -1.656 -9.406 -14.300 1.00 0.78 H new ATOM 2457 N LYS A 147 -1.867 -7.061 -13.450 1.00 0.54 N ATOM 2458 CA LYS A 147 -1.889 -5.655 -13.072 1.00 0.48 C ATOM 2459 C LYS A 147 -0.521 -5.125 -12.667 1.00 0.40 C ATOM 2460 O LYS A 147 0.275 -4.736 -13.519 1.00 0.45 O ATOM 2461 CB LYS A 147 -2.894 -5.444 -11.955 1.00 0.54 C ATOM 2462 CG LYS A 147 -4.332 -5.374 -12.426 1.00 0.83 C ATOM 2463 CD LYS A 147 -4.662 -4.000 -12.970 1.00 1.15 C ATOM 2464 CE LYS A 147 -6.089 -3.928 -13.487 1.00 1.55 C ATOM 2465 NZ LYS A 147 -6.320 -4.854 -14.629 1.00 1.98 N ATOM 0 H LYS A 147 -2.349 -7.254 -14.328 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.188 -5.087 -13.953 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -2.797 -6.256 -11.235 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -2.649 -4.521 -11.429 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -4.502 -6.124 -13.198 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -5.001 -5.611 -11.599 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -4.521 -3.255 -12.187 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -3.970 -3.752 -13.775 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -6.779 -4.171 -12.679 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -6.310 -2.907 -13.799 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -7.223 -4.620 -15.089 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -5.546 -4.757 -15.317 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -6.353 -5.833 -14.281 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.254 -5.123 -11.364 1.00 0.33 N ATOM 2480 CA ALA A 148 1.004 -4.622 -10.836 1.00 0.29 C ATOM 2481 C ALA A 148 2.161 -5.470 -11.332 1.00 0.31 C ATOM 2482 O ALA A 148 3.231 -4.958 -11.650 1.00 0.34 O ATOM 2483 CB ALA A 148 0.962 -4.597 -9.319 1.00 0.33 C ATOM 0 H ALA A 148 -0.900 -5.466 -10.653 1.00 0.33 H new ATOM 0 HA ALA A 148 1.154 -3.603 -11.192 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.910 -4.220 -8.935 1.00 0.33 H new ATOM 0 HB2 ALA A 148 0.152 -3.947 -8.988 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.794 -5.606 -8.943 1.00 0.33 H new ATOM 2489 N ALA A 149 1.929 -6.771 -11.409 1.00 0.35 N ATOM 2490 CA ALA A 149 2.918 -7.686 -11.945 1.00 0.41 C ATOM 2491 C ALA A 149 3.175 -7.384 -13.415 1.00 0.43 C ATOM 2492 O ALA A 149 4.314 -7.346 -13.851 1.00 0.51 O ATOM 2493 CB ALA A 149 2.460 -9.120 -11.760 1.00 0.48 C ATOM 0 H ALA A 149 1.062 -7.215 -11.106 1.00 0.35 H new ATOM 0 HA ALA A 149 3.853 -7.553 -11.401 1.00 0.41 H new ATOM 0 HB1 ALA A 149 3.211 -9.797 -12.167 1.00 0.48 H new ATOM 0 HB2 ALA A 149 2.324 -9.324 -10.698 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.515 -9.270 -12.282 1.00 0.48 H new ATOM 2499 N LYS A 150 2.104 -7.136 -14.163 1.00 0.41 N ATOM 2500 CA LYS A 150 2.216 -6.806 -15.581 1.00 0.46 C ATOM 2501 C LYS A 150 2.915 -5.457 -15.755 1.00 0.45 C ATOM 2502 O LYS A 150 3.682 -5.253 -16.693 1.00 0.59 O ATOM 2503 CB LYS A 150 0.826 -6.771 -16.226 1.00 0.53 C ATOM 2504 CG LYS A 150 0.850 -6.512 -17.725 1.00 1.16 C ATOM 2505 CD LYS A 150 1.512 -7.653 -18.479 1.00 1.45 C ATOM 2506 CE LYS A 150 1.558 -7.381 -19.974 1.00 1.96 C ATOM 2507 NZ LYS A 150 2.199 -8.493 -20.722 1.00 2.82 N ATOM 0 H LYS A 150 1.147 -7.157 -13.811 1.00 0.41 H new ATOM 0 HA LYS A 150 2.811 -7.574 -16.075 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.325 -7.721 -16.039 1.00 0.53 H new ATOM 0 HB3 LYS A 150 0.231 -5.996 -15.743 1.00 0.53 H new ATOM 0 HG2 LYS A 150 -0.169 -6.378 -18.088 1.00 1.16 H new ATOM 0 HG3 LYS A 150 1.385 -5.584 -17.926 1.00 1.16 H new ATOM 0 HD2 LYS A 150 2.525 -7.799 -18.104 1.00 1.45 H new ATOM 0 HD3 LYS A 150 0.966 -8.578 -18.293 1.00 1.45 H new ATOM 0 HE2 LYS A 150 0.545 -7.230 -20.346 1.00 1.96 H new ATOM 0 HE3 LYS A 150 2.106 -6.457 -20.158 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 2.210 -8.268 -21.737 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 3.175 -8.621 -20.385 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 1.662 -9.370 -20.568 1.00 2.82 H new ATOM 2521 N PHE A 151 2.637 -4.551 -14.830 1.00 0.35 N ATOM 2522 CA PHE A 151 3.267 -3.236 -14.792 1.00 0.36 C ATOM 2523 C PHE A 151 4.775 -3.365 -14.589 1.00 0.40 C ATOM 2524 O PHE A 151 5.556 -2.620 -15.171 1.00 0.46 O ATOM 2525 CB PHE A 151 2.658 -2.411 -13.654 1.00 0.34 C ATOM 2526 CG PHE A 151 3.069 -0.969 -13.671 1.00 0.33 C ATOM 2527 CD1 PHE A 151 2.441 -0.072 -14.515 1.00 0.46 C ATOM 2528 CD2 PHE A 151 4.085 -0.514 -12.850 1.00 0.43 C ATOM 2529 CE1 PHE A 151 2.820 1.255 -14.543 1.00 0.49 C ATOM 2530 CE2 PHE A 151 4.469 0.811 -12.871 1.00 0.44 C ATOM 2531 CZ PHE A 151 3.836 1.698 -13.720 1.00 0.39 C ATOM 0 H PHE A 151 1.964 -4.706 -14.079 1.00 0.35 H new ATOM 0 HA PHE A 151 3.090 -2.735 -15.744 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.571 -2.471 -13.714 1.00 0.34 H new ATOM 0 HB3 PHE A 151 2.949 -2.852 -12.701 1.00 0.34 H new ATOM 0 HD1 PHE A 151 1.645 -0.413 -15.160 1.00 0.46 H new ATOM 0 HD2 PHE A 151 4.583 -1.204 -12.185 1.00 0.43 H new ATOM 0 HE1 PHE A 151 2.322 1.946 -15.208 1.00 0.49 H new ATOM 0 HE2 PHE A 151 5.263 1.154 -12.225 1.00 0.44 H new ATOM 0 HZ PHE A 151 4.135 2.736 -13.740 1.00 0.39 H new ATOM 2541 N ALA A 152 5.163 -4.321 -13.764 1.00 0.39 N ATOM 2542 CA ALA A 152 6.566 -4.566 -13.463 1.00 0.44 C ATOM 2543 C ALA A 152 7.164 -5.638 -14.365 1.00 0.52 C ATOM 2544 O ALA A 152 8.305 -6.055 -14.167 1.00 0.59 O ATOM 2545 CB ALA A 152 6.708 -4.983 -12.009 1.00 0.44 C ATOM 0 H ALA A 152 4.518 -4.949 -13.284 1.00 0.39 H new ATOM 0 HA ALA A 152 7.112 -3.640 -13.644 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.759 -5.166 -11.784 1.00 0.44 H new ATOM 0 HB2 ALA A 152 6.332 -4.189 -11.364 1.00 0.44 H new ATOM 0 HB3 ALA A 152 6.135 -5.894 -11.834 1.00 0.44 H new ATOM 2551 N GLY A 153 6.402 -6.092 -15.348 1.00 0.65 N ATOM 2552 CA GLY A 153 6.853 -7.179 -16.190 1.00 0.84 C ATOM 2553 C GLY A 153 6.277 -8.483 -15.699 1.00 1.06 C ATOM 2554 O GLY A 153 5.438 -9.094 -16.364 1.00 1.62 O ATOM 0 H GLY A 153 5.478 -5.726 -15.578 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.548 -7.002 -17.221 1.00 0.84 H new ATOM 0 HA3 GLY A 153 7.942 -7.227 -16.184 1.00 0.84 H new