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 96 LYS NZ :NH3+ -143:sc= 0.848 (180deg=0) USER MOD Set 1.2: A 100 TYR OH : rot 150:sc= 0.478 USER MOD Single : A 1 PHE N :NH3+ -155:sc= 0.0517 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 156:sc= -0.144 (180deg=-0.614) USER MOD Single : A 3 TYR OH : rot 130:sc= -0.667 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 173:sc= -1.02 (180deg=-1.3) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 24 ASN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 26 SER OG : rot 8:sc= 0.815 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= 1.26 (180deg=0.874) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= 0.106 (180deg=0.0305) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 166:sc= -0.0166 USER MOD Single : A 43 LYS NZ :NH3+ -165:sc= -0.061 (180deg=-0.277) USER MOD Single : A 44 ASN : amide:sc= -0.355 K(o=-0.35,f=-7!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -100:sc= 0.945 USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0.974) USER MOD Single : A 54 LYS NZ :NH3+ 179:sc= 0.514 (180deg=0.512) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -150:sc= -0.187 USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= 1.33 (180deg=1.06) USER MOD Single : A 65 LYS NZ :NH3+ -162:sc= 1.2 (180deg=0.933) USER MOD Single : A 67 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.067) USER MOD Single : A 69 MET CE :methyl 164:sc= -0.665 (180deg=-1.66) USER MOD Single : A 71 LYS NZ :NH3+ -148:sc= 1.22 (180deg=0.384) USER MOD Single : A 72 SER OG : rot 73:sc= 1.31 USER MOD Single : A 73 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.08) USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= 0.184 (180deg=-0.245) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -75:sc= -0.108 USER MOD Single : A 99 TYR OH : rot 120:sc= -0.352 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 103 ASN : amide:sc= 0.072 K(o=0.072,f=-3!) USER MOD Single : A 106 THR OG1 : rot -72:sc= 1.31 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 17:sc= 0.341 USER MOD Single : A 115 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0941) USER MOD Single : A 119 LYS NZ :NH3+ 174:sc= 0.949 (180deg=0.756) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 164:sc=-0.00226 (180deg=-0.148) USER MOD Single : A 124 MET CE :methyl -151:sc= -1.2 (180deg=-3.53!) USER MOD Single : A 125 SER OG : rot 83:sc= 1.26 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ -153:sc= -0.103 (180deg=-0.554) USER MOD Single : A 135 GLN : amide:sc= -3.25! C(o=-3.3!,f=-7.3!) USER MOD Single : A 141 LYS NZ :NH3+ -135:sc= -0.749 (180deg=-2.32!) USER MOD Single : A 145 SER OG : rot 83:sc= 0.223 USER MOD Single : A 147 LYS NZ :NH3+ 159:sc= 1.2 (180deg=1.11) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 3.998 19.211 -9.359 1.00 1.03 N ATOM 222 CA PHE A 1 3.578 17.893 -9.808 1.00 1.07 C ATOM 223 C PHE A 1 2.057 17.819 -9.902 1.00 0.89 C ATOM 224 O PHE A 1 1.339 18.449 -9.122 1.00 0.81 O ATOM 225 CB PHE A 1 4.112 16.802 -8.868 1.00 1.39 C ATOM 226 CG PHE A 1 3.259 16.556 -7.651 1.00 0.93 C ATOM 227 CD1 PHE A 1 3.360 17.393 -6.552 1.00 1.15 C ATOM 228 CD2 PHE A 1 2.361 15.498 -7.606 1.00 1.11 C ATOM 229 CE1 PHE A 1 2.586 17.182 -5.431 1.00 1.47 C ATOM 230 CE2 PHE A 1 1.583 15.285 -6.481 1.00 1.14 C ATOM 231 CZ PHE A 1 1.673 16.081 -5.422 1.00 1.31 C ATOM 0 H1 PHE A 1 4.966 19.398 -9.690 1.00 1.03 H new ATOM 0 H2 PHE A 1 3.355 19.931 -9.746 1.00 1.03 H new ATOM 0 H3 PHE A 1 3.974 19.248 -8.320 1.00 1.03 H new ATOM 0 HA PHE A 1 3.995 17.723 -10.801 1.00 1.07 H new ATOM 0 HB2 PHE A 1 4.203 15.871 -9.427 1.00 1.39 H new ATOM 0 HB3 PHE A 1 5.115 17.078 -8.544 1.00 1.39 H new ATOM 0 HD1 PHE A 1 4.053 18.221 -6.574 1.00 1.15 H new ATOM 0 HD2 PHE A 1 2.269 14.837 -8.455 1.00 1.11 H new ATOM 0 HE1 PHE A 1 2.667 17.836 -4.575 1.00 1.47 H new ATOM 0 HE2 PHE A 1 0.890 14.457 -6.464 1.00 1.14 H new ATOM 0 HZ PHE A 1 1.057 15.897 -4.554 1.00 1.31 H new ATOM 241 N LYS A 2 1.570 17.058 -10.862 1.00 0.96 N ATOM 242 CA LYS A 2 0.140 16.872 -11.041 1.00 0.98 C ATOM 243 C LYS A 2 -0.210 15.400 -10.915 1.00 1.01 C ATOM 244 O LYS A 2 0.511 14.542 -11.416 1.00 1.42 O ATOM 245 CB LYS A 2 -0.295 17.372 -12.422 1.00 1.14 C ATOM 246 CG LYS A 2 -0.025 18.845 -12.673 1.00 1.62 C ATOM 247 CD LYS A 2 -0.914 19.739 -11.825 1.00 2.02 C ATOM 248 CE LYS A 2 -0.833 21.185 -12.287 1.00 2.67 C ATOM 249 NZ LYS A 2 -1.303 21.342 -13.690 1.00 3.15 N ATOM 0 H LYS A 2 2.147 16.554 -11.536 1.00 0.96 H new ATOM 0 HA LYS A 2 -0.380 17.442 -10.271 1.00 0.98 H new ATOM 0 HB2 LYS A 2 0.219 16.787 -13.185 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -1.362 17.186 -12.542 1.00 1.14 H new ATOM 0 HG2 LYS A 2 1.021 19.064 -12.457 1.00 1.62 H new ATOM 0 HG3 LYS A 2 -0.186 19.069 -13.728 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -1.946 19.392 -11.883 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -0.613 19.670 -10.780 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -1.436 21.811 -11.629 1.00 2.67 H new ATOM 0 HE3 LYS A 2 0.196 21.536 -12.207 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -1.620 22.321 -13.843 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -0.524 21.124 -14.344 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -2.094 20.691 -13.866 1.00 3.15 H new ATOM 263 N TYR A 3 -1.321 15.111 -10.250 1.00 0.91 N ATOM 264 CA TYR A 3 -1.813 13.747 -10.148 1.00 0.94 C ATOM 265 C TYR A 3 -2.222 13.251 -11.531 1.00 1.01 C ATOM 266 O TYR A 3 -2.121 12.065 -11.840 1.00 0.90 O ATOM 267 CB TYR A 3 -3.004 13.681 -9.184 1.00 1.02 C ATOM 268 CG TYR A 3 -3.564 12.289 -8.995 1.00 1.12 C ATOM 269 CD1 TYR A 3 -2.955 11.386 -8.134 1.00 1.31 C ATOM 270 CD2 TYR A 3 -4.701 11.877 -9.677 1.00 1.36 C ATOM 271 CE1 TYR A 3 -3.462 10.114 -7.956 1.00 1.62 C ATOM 272 CE2 TYR A 3 -5.215 10.607 -9.506 1.00 1.78 C ATOM 273 CZ TYR A 3 -4.597 9.732 -8.651 1.00 1.87 C ATOM 274 OH TYR A 3 -5.102 8.467 -8.470 1.00 2.35 O ATOM 0 H TYR A 3 -1.897 15.805 -9.774 1.00 0.91 H new ATOM 0 HA TYR A 3 -1.021 13.108 -9.757 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -2.696 14.073 -8.215 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -3.795 14.333 -9.554 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -2.069 11.684 -7.594 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -5.192 12.562 -10.353 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -2.978 9.424 -7.281 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -6.101 10.304 -10.044 1.00 1.78 H new ATOM 0 HH TYR A 3 -6.062 8.522 -8.281 1.00 2.35 H new ATOM 284 N GLU A 4 -2.662 14.187 -12.364 1.00 1.38 N ATOM 285 CA GLU A 4 -3.038 13.887 -13.740 1.00 1.74 C ATOM 286 C GLU A 4 -1.799 13.664 -14.601 1.00 1.24 C ATOM 287 O GLU A 4 -1.873 13.055 -15.666 1.00 1.52 O ATOM 288 CB GLU A 4 -3.883 15.024 -14.318 1.00 2.44 C ATOM 289 CG GLU A 4 -5.217 15.205 -13.615 1.00 3.05 C ATOM 290 CD GLU A 4 -5.973 16.422 -14.106 1.00 3.65 C ATOM 291 OE1 GLU A 4 -6.763 16.297 -15.064 1.00 4.16 O ATOM 292 OE2 GLU A 4 -5.788 17.513 -13.528 1.00 3.95 O ATOM 0 H GLU A 4 -2.768 15.168 -12.107 1.00 1.38 H new ATOM 0 HA GLU A 4 -3.629 12.971 -13.742 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -3.319 15.954 -14.254 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.062 14.832 -15.376 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -5.828 14.316 -13.769 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -5.049 15.295 -12.542 1.00 3.05 H new ATOM 299 N ASP A 5 -0.659 14.149 -14.123 1.00 0.71 N ATOM 300 CA ASP A 5 0.601 13.998 -14.844 1.00 0.73 C ATOM 301 C ASP A 5 1.293 12.704 -14.421 1.00 0.72 C ATOM 302 O ASP A 5 2.230 12.240 -15.072 1.00 0.90 O ATOM 303 CB ASP A 5 1.508 15.209 -14.594 1.00 1.07 C ATOM 304 CG ASP A 5 2.845 15.115 -15.306 1.00 1.83 C ATOM 305 OD1 ASP A 5 2.896 15.349 -16.534 1.00 2.15 O ATOM 306 OD2 ASP A 5 3.856 14.827 -14.640 1.00 2.57 O ATOM 0 H ASP A 5 -0.580 14.651 -13.238 1.00 0.71 H new ATOM 0 HA ASP A 5 0.394 13.946 -15.913 1.00 0.73 H new ATOM 0 HB2 ASP A 5 0.993 16.113 -14.920 1.00 1.07 H new ATOM 0 HB3 ASP A 5 1.681 15.309 -13.523 1.00 1.07 H new ATOM 311 N ILE A 6 0.808 12.116 -13.334 1.00 0.58 N ATOM 312 CA ILE A 6 1.306 10.831 -12.869 1.00 0.55 C ATOM 313 C ILE A 6 0.713 9.724 -13.734 1.00 0.54 C ATOM 314 O ILE A 6 -0.499 9.703 -13.957 1.00 0.58 O ATOM 315 CB ILE A 6 0.926 10.584 -11.389 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.515 11.677 -10.493 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.397 9.207 -10.930 1.00 0.56 C ATOM 318 CD1 ILE A 6 1.141 11.537 -9.033 1.00 0.69 C ATOM 0 H ILE A 6 0.066 12.513 -12.757 1.00 0.58 H new ATOM 0 HA ILE A 6 2.393 10.833 -12.946 1.00 0.55 H new ATOM 0 HB ILE A 6 -0.160 10.617 -11.308 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.601 11.662 -10.583 1.00 0.63 H new ATOM 0 HG13 ILE A 6 1.179 12.649 -10.853 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.119 9.056 -9.887 1.00 0.56 H new ATOM 0 HG22 ILE A 6 0.929 8.439 -11.545 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.480 9.141 -11.030 1.00 0.56 H new ATOM 0 HD11 ILE A 6 1.595 12.347 -8.462 1.00 0.69 H new ATOM 0 HD12 ILE A 6 0.057 11.583 -8.929 1.00 0.69 H new ATOM 0 HD13 ILE A 6 1.501 10.580 -8.655 1.00 0.69 H new ATOM 325 N PRO A 7 1.562 8.816 -14.255 1.00 0.53 N ATOM 326 CA PRO A 7 1.126 7.689 -15.088 1.00 0.55 C ATOM 327 C PRO A 7 -0.096 6.983 -14.515 1.00 0.53 C ATOM 328 O PRO A 7 -0.028 6.355 -13.453 1.00 0.52 O ATOM 329 CB PRO A 7 2.341 6.765 -15.072 1.00 0.55 C ATOM 330 CG PRO A 7 3.499 7.690 -14.951 1.00 0.60 C ATOM 331 CD PRO A 7 3.028 8.824 -14.077 1.00 0.54 C ATOM 0 HA PRO A 7 0.822 8.004 -16.086 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.300 6.067 -14.236 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.400 6.169 -15.983 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.358 7.186 -14.508 1.00 0.60 H new ATOM 0 HG3 PRO A 7 3.813 8.054 -15.929 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.306 8.668 -13.035 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.464 9.775 -14.385 1.00 0.54 H new ATOM 339 N ALA A 8 -1.209 7.081 -15.235 1.00 0.55 N ATOM 340 CA ALA A 8 -2.486 6.559 -14.771 1.00 0.54 C ATOM 341 C ALA A 8 -2.428 5.058 -14.538 1.00 0.55 C ATOM 342 O ALA A 8 -3.196 4.521 -13.739 1.00 0.56 O ATOM 343 CB ALA A 8 -3.587 6.898 -15.761 1.00 0.57 C ATOM 0 H ALA A 8 -1.250 7.523 -16.153 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.709 7.033 -13.815 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.536 6.501 -15.400 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.663 7.980 -15.865 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -3.354 6.456 -16.730 1.00 0.57 H new ATOM 349 N ASP A 9 -1.503 4.386 -15.217 1.00 0.55 N ATOM 350 CA ASP A 9 -1.370 2.940 -15.083 1.00 0.57 C ATOM 351 C ASP A 9 -1.043 2.572 -13.643 1.00 0.54 C ATOM 352 O ASP A 9 -1.484 1.549 -13.120 1.00 0.55 O ATOM 353 CB ASP A 9 -0.278 2.402 -16.011 1.00 0.61 C ATOM 354 CG ASP A 9 -0.731 2.294 -17.451 1.00 0.93 C ATOM 355 OD1 ASP A 9 -1.302 1.246 -17.820 1.00 1.33 O ATOM 356 OD2 ASP A 9 -0.519 3.255 -18.224 1.00 1.37 O ATOM 0 H ASP A 9 -0.839 4.816 -15.861 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.321 2.488 -15.365 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.592 3.056 -15.957 1.00 0.61 H new ATOM 0 HB3 ASP A 9 0.039 1.420 -15.660 1.00 0.61 H new ATOM 361 N TYR A 10 -0.253 3.442 -13.014 1.00 0.52 N ATOM 362 CA TYR A 10 0.202 3.249 -11.647 1.00 0.50 C ATOM 363 C TYR A 10 -0.824 3.773 -10.649 1.00 0.49 C ATOM 364 O TYR A 10 -0.934 3.261 -9.536 1.00 0.51 O ATOM 365 CB TYR A 10 1.549 3.954 -11.443 1.00 0.52 C ATOM 366 CG TYR A 10 2.041 3.955 -10.010 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.630 2.828 -9.455 1.00 0.59 C ATOM 368 CD2 TYR A 10 1.912 5.089 -9.214 1.00 0.59 C ATOM 369 CE1 TYR A 10 3.077 2.828 -8.146 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.356 5.096 -7.906 1.00 0.66 C ATOM 371 CZ TYR A 10 2.938 3.965 -7.378 1.00 0.70 C ATOM 372 OH TYR A 10 3.378 3.970 -6.074 1.00 0.80 O ATOM 0 H TYR A 10 0.088 4.302 -13.444 1.00 0.52 H new ATOM 0 HA TYR A 10 0.325 2.180 -11.473 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.297 3.471 -12.072 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.462 4.985 -11.786 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.741 1.937 -10.055 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.457 5.978 -9.626 1.00 0.59 H new ATOM 0 HE1 TYR A 10 3.532 1.943 -7.728 1.00 0.66 H new ATOM 0 HE2 TYR A 10 2.247 5.984 -7.301 1.00 0.66 H new ATOM 0 HH TYR A 10 3.206 4.848 -5.674 1.00 0.80 H new ATOM 382 N ARG A 11 -1.583 4.792 -11.044 1.00 0.48 N ATOM 383 CA ARG A 11 -2.587 5.364 -10.148 1.00 0.49 C ATOM 384 C ARG A 11 -3.704 4.353 -9.938 1.00 0.50 C ATOM 385 O ARG A 11 -4.376 4.347 -8.908 1.00 0.54 O ATOM 386 CB ARG A 11 -3.158 6.666 -10.705 1.00 0.51 C ATOM 387 CG ARG A 11 -2.105 7.654 -11.174 1.00 0.48 C ATOM 388 CD ARG A 11 -2.734 8.967 -11.613 1.00 0.60 C ATOM 389 NE ARG A 11 -3.894 8.762 -12.480 1.00 0.88 N ATOM 390 CZ ARG A 11 -4.221 9.554 -13.500 1.00 1.19 C ATOM 391 NH1 ARG A 11 -3.443 10.575 -13.831 1.00 1.61 N ATOM 392 NH2 ARG A 11 -5.323 9.312 -14.197 1.00 1.73 N ATOM 0 H ARG A 11 -1.525 5.233 -11.962 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.109 5.594 -9.196 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.819 6.433 -11.540 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -3.769 7.140 -9.937 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.394 7.840 -10.369 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.543 7.223 -12.002 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -3.036 9.535 -10.733 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -1.991 9.566 -12.139 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.493 7.958 -12.291 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -2.589 10.757 -13.304 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -3.698 11.178 -14.613 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -5.918 8.521 -13.952 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -5.575 9.917 -14.978 1.00 1.73 H new ATOM 406 N ASP A 12 -3.866 3.502 -10.942 1.00 0.48 N ATOM 407 CA ASP A 12 -4.790 2.377 -10.896 1.00 0.50 C ATOM 408 C ASP A 12 -4.419 1.422 -9.762 1.00 0.52 C ATOM 409 O ASP A 12 -5.285 0.800 -9.145 1.00 0.62 O ATOM 410 CB ASP A 12 -4.737 1.638 -12.238 1.00 0.51 C ATOM 411 CG ASP A 12 -5.835 0.607 -12.398 1.00 0.76 C ATOM 412 OD1 ASP A 12 -6.996 0.999 -12.647 1.00 1.02 O ATOM 413 OD2 ASP A 12 -5.548 -0.600 -12.309 1.00 0.99 O ATOM 0 H ASP A 12 -3.354 3.574 -11.821 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.799 2.747 -10.713 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.809 2.364 -13.048 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -3.769 1.146 -12.336 1.00 0.51 H new ATOM 418 N LEU A 13 -3.120 1.335 -9.487 1.00 0.50 N ATOM 419 CA LEU A 13 -2.593 0.421 -8.478 1.00 0.53 C ATOM 420 C LEU A 13 -2.750 0.999 -7.074 1.00 0.62 C ATOM 421 O LEU A 13 -2.912 0.261 -6.102 1.00 0.93 O ATOM 422 CB LEU A 13 -1.109 0.138 -8.741 1.00 0.49 C ATOM 423 CG LEU A 13 -0.772 -0.384 -10.139 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.730 -0.546 -10.301 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.474 -1.704 -10.402 1.00 0.88 C ATOM 0 H LEU A 13 -2.406 1.893 -9.955 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.163 -0.506 -8.543 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.547 1.056 -8.571 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.761 -0.589 -8.008 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.124 0.346 -10.868 1.00 0.44 H new ATOM 0 HD11 LEU A 13 0.950 -0.918 -11.302 1.00 0.78 H new ATOM 0 HD12 LEU A 13 1.218 0.418 -10.157 1.00 0.78 H new ATOM 0 HD13 LEU A 13 1.101 -1.254 -9.561 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.221 -2.058 -11.401 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.153 -2.440 -9.665 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -2.552 -1.563 -10.329 1.00 0.88 H new ATOM 437 N MET A 14 -2.694 2.322 -6.972 1.00 0.55 N ATOM 438 CA MET A 14 -2.747 2.989 -5.677 1.00 0.64 C ATOM 439 C MET A 14 -4.140 2.900 -5.064 1.00 0.55 C ATOM 440 O MET A 14 -5.148 3.121 -5.741 1.00 0.53 O ATOM 441 CB MET A 14 -2.316 4.453 -5.795 1.00 0.82 C ATOM 442 CG MET A 14 -0.822 4.632 -6.013 1.00 0.97 C ATOM 443 SD MET A 14 -0.288 6.352 -5.851 1.00 1.15 S ATOM 444 CE MET A 14 -1.114 7.106 -7.251 1.00 1.04 C ATOM 0 H MET A 14 -2.612 2.953 -7.769 1.00 0.55 H new ATOM 0 HA MET A 14 -2.049 2.473 -5.017 1.00 0.64 H new ATOM 0 HB2 MET A 14 -2.853 4.916 -6.623 1.00 0.82 H new ATOM 0 HB3 MET A 14 -2.609 4.983 -4.889 1.00 0.82 H new ATOM 0 HG2 MET A 14 -0.279 4.019 -5.294 1.00 0.97 H new ATOM 0 HG3 MET A 14 -0.559 4.267 -7.006 1.00 0.97 H new ATOM 0 HE1 MET A 14 -0.981 8.187 -7.213 1.00 1.04 H new ATOM 0 HE2 MET A 14 -0.686 6.721 -8.177 1.00 1.04 H new ATOM 0 HE3 MET A 14 -2.177 6.870 -7.217 1.00 1.04 H new ATOM 454 N PRO A 15 -4.205 2.571 -3.762 1.00 0.62 N ATOM 455 CA PRO A 15 -5.470 2.446 -3.041 1.00 0.67 C ATOM 456 C PRO A 15 -6.165 3.793 -2.854 1.00 0.59 C ATOM 457 O PRO A 15 -5.496 4.819 -2.702 1.00 0.57 O ATOM 458 CB PRO A 15 -5.061 1.858 -1.686 1.00 0.88 C ATOM 459 CG PRO A 15 -3.636 2.254 -1.513 1.00 0.90 C ATOM 460 CD PRO A 15 -3.045 2.291 -2.895 1.00 0.74 C ATOM 0 HA PRO A 15 -6.186 1.829 -3.583 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -5.681 2.252 -0.881 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -5.174 0.774 -1.675 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -3.558 3.228 -1.029 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -3.107 1.541 -0.881 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -2.282 3.064 -2.984 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -2.571 1.344 -3.154 1.00 0.74 H new ATOM 468 N PRO A 16 -7.508 3.802 -2.879 1.00 0.65 N ATOM 469 CA PRO A 16 -8.318 5.031 -2.842 1.00 0.70 C ATOM 470 C PRO A 16 -7.834 6.056 -1.825 1.00 0.71 C ATOM 471 O PRO A 16 -7.650 7.228 -2.165 1.00 0.74 O ATOM 472 CB PRO A 16 -9.703 4.518 -2.466 1.00 0.85 C ATOM 473 CG PRO A 16 -9.754 3.139 -3.021 1.00 0.96 C ATOM 474 CD PRO A 16 -8.353 2.596 -2.939 1.00 0.76 C ATOM 0 HA PRO A 16 -8.274 5.563 -3.792 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -9.845 4.516 -1.385 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.487 5.145 -2.890 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -10.445 2.517 -2.453 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -10.107 3.148 -4.052 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -8.218 1.970 -2.057 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -8.111 1.982 -3.806 1.00 0.76 H new ATOM 482 N GLU A 17 -7.603 5.614 -0.596 1.00 0.78 N ATOM 483 CA GLU A 17 -7.187 6.516 0.474 1.00 0.89 C ATOM 484 C GLU A 17 -5.899 7.262 0.120 1.00 0.84 C ATOM 485 O GLU A 17 -5.771 8.457 0.382 1.00 1.13 O ATOM 486 CB GLU A 17 -7.023 5.768 1.803 1.00 1.09 C ATOM 487 CG GLU A 17 -6.321 4.426 1.687 1.00 1.48 C ATOM 488 CD GLU A 17 -7.284 3.284 1.428 1.00 1.36 C ATOM 489 OE1 GLU A 17 -7.839 2.733 2.403 1.00 1.83 O ATOM 490 OE2 GLU A 17 -7.496 2.934 0.250 1.00 1.65 O ATOM 0 H GLU A 17 -7.696 4.638 -0.314 1.00 0.78 H new ATOM 0 HA GLU A 17 -7.980 7.254 0.591 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -6.463 6.398 2.494 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -8.009 5.612 2.242 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -5.591 4.471 0.879 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -5.768 4.229 2.605 1.00 1.48 H new ATOM 497 N ALA A 18 -4.962 6.574 -0.516 1.00 0.72 N ATOM 498 CA ALA A 18 -3.687 7.183 -0.874 1.00 0.73 C ATOM 499 C ALA A 18 -3.839 8.105 -2.078 1.00 0.62 C ATOM 500 O ALA A 18 -2.950 8.912 -2.373 1.00 0.72 O ATOM 501 CB ALA A 18 -2.645 6.109 -1.150 1.00 0.82 C ATOM 0 H ALA A 18 -5.059 5.597 -0.794 1.00 0.72 H new ATOM 0 HA ALA A 18 -3.350 7.786 -0.031 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -1.699 6.580 -1.416 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -2.508 5.497 -0.258 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -2.981 5.479 -1.974 1.00 0.82 H new ATOM 507 N ARG A 19 -4.965 7.983 -2.771 1.00 0.52 N ATOM 508 CA ARG A 19 -5.247 8.820 -3.928 1.00 0.49 C ATOM 509 C ARG A 19 -6.007 10.071 -3.503 1.00 0.50 C ATOM 510 O ARG A 19 -5.830 11.136 -4.085 1.00 0.52 O ATOM 511 CB ARG A 19 -6.060 8.055 -4.972 1.00 0.52 C ATOM 512 CG ARG A 19 -5.472 6.706 -5.345 1.00 0.64 C ATOM 513 CD ARG A 19 -6.252 6.049 -6.473 1.00 0.72 C ATOM 514 NE ARG A 19 -7.695 6.062 -6.227 1.00 1.01 N ATOM 515 CZ ARG A 19 -8.474 4.982 -6.275 1.00 1.43 C ATOM 516 NH1 ARG A 19 -7.941 3.778 -6.466 1.00 1.46 N ATOM 517 NH2 ARG A 19 -9.785 5.106 -6.100 1.00 2.16 N ATOM 0 H ARG A 19 -5.699 7.310 -2.550 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.295 9.110 -4.372 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.071 7.907 -4.593 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.143 8.665 -5.871 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.432 6.832 -5.646 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -5.474 6.053 -4.472 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -6.040 6.566 -7.409 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -5.915 5.020 -6.594 1.00 0.72 H new ATOM 0 HE ARG A 19 -8.133 6.956 -6.004 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -6.932 3.679 -6.576 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -8.542 2.954 -6.502 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -10.192 6.026 -5.930 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -10.385 4.282 -6.136 1.00 2.16 H new ATOM 531 N ASP A 20 -6.853 9.921 -2.482 1.00 0.53 N ATOM 532 CA ASP A 20 -7.637 11.032 -1.923 1.00 0.57 C ATOM 533 C ASP A 20 -6.764 12.256 -1.664 1.00 0.56 C ATOM 534 O ASP A 20 -7.126 13.382 -2.020 1.00 0.57 O ATOM 535 CB ASP A 20 -8.305 10.596 -0.612 1.00 0.63 C ATOM 536 CG ASP A 20 -9.071 11.718 0.073 1.00 0.80 C ATOM 537 OD1 ASP A 20 -8.443 12.539 0.779 1.00 0.98 O ATOM 538 OD2 ASP A 20 -10.310 11.764 -0.065 1.00 1.06 O ATOM 0 H ASP A 20 -7.016 9.028 -2.017 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.399 11.302 -2.655 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -8.987 9.771 -0.816 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -7.542 10.217 0.068 1.00 0.63 H new ATOM 543 N PHE A 21 -5.608 12.023 -1.068 1.00 0.57 N ATOM 544 CA PHE A 21 -4.676 13.087 -0.713 1.00 0.57 C ATOM 545 C PHE A 21 -4.003 13.710 -1.947 1.00 0.55 C ATOM 546 O PHE A 21 -3.186 14.608 -1.814 1.00 0.64 O ATOM 547 CB PHE A 21 -3.626 12.547 0.268 1.00 0.60 C ATOM 548 CG PHE A 21 -2.774 13.615 0.898 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.341 14.570 1.728 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.411 13.672 0.653 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.567 15.558 2.304 1.00 0.65 C ATOM 552 CE2 PHE A 21 -0.631 14.658 1.226 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.209 15.602 2.052 1.00 0.63 C ATOM 0 H PHE A 21 -5.285 11.089 -0.814 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.245 13.884 -0.233 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.132 11.988 1.055 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -2.980 11.844 -0.257 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.402 14.541 1.927 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -0.953 12.937 0.007 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -3.022 16.294 2.950 1.00 0.65 H new ATOM 0 HE2 PHE A 21 0.430 14.691 1.028 1.00 0.65 H new ATOM 0 HZ PHE A 21 -0.601 16.373 2.500 1.00 0.63 H new ATOM 563 N LEU A 22 -4.343 13.254 -3.142 1.00 0.56 N ATOM 564 CA LEU A 22 -3.888 13.926 -4.359 1.00 0.55 C ATOM 565 C LEU A 22 -5.053 14.237 -5.286 1.00 0.54 C ATOM 566 O LEU A 22 -4.917 15.055 -6.196 1.00 0.57 O ATOM 567 CB LEU A 22 -2.832 13.105 -5.084 1.00 0.56 C ATOM 568 CG LEU A 22 -1.564 12.858 -4.288 1.00 0.65 C ATOM 569 CD1 LEU A 22 -0.704 11.821 -4.986 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.809 14.162 -4.108 1.00 1.13 C ATOM 0 H LEU A 22 -4.925 12.432 -3.300 1.00 0.56 H new ATOM 0 HA LEU A 22 -3.433 14.870 -4.057 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -3.265 12.143 -5.360 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.569 13.614 -6.011 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.824 12.473 -3.302 1.00 0.65 H new ATOM 0 HD11 LEU A 22 0.203 11.651 -4.407 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -1.259 10.887 -5.073 1.00 1.04 H new ATOM 0 HD13 LEU A 22 -0.438 12.179 -5.981 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.101 13.980 -3.536 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.548 14.569 -5.085 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -1.437 14.875 -3.574 1.00 1.13 H new ATOM 582 N GLN A 23 -6.186 13.604 -5.062 1.00 0.52 N ATOM 583 CA GLN A 23 -7.427 14.068 -5.655 1.00 0.52 C ATOM 584 C GLN A 23 -7.747 15.460 -5.108 1.00 0.53 C ATOM 585 O GLN A 23 -8.160 16.359 -5.843 1.00 0.54 O ATOM 586 CB GLN A 23 -8.558 13.092 -5.326 1.00 0.53 C ATOM 587 CG GLN A 23 -9.856 13.400 -6.049 1.00 0.78 C ATOM 588 CD GLN A 23 -10.964 12.425 -5.704 1.00 1.38 C ATOM 589 OE1 GLN A 23 -10.715 11.260 -5.386 1.00 2.05 O ATOM 590 NE2 GLN A 23 -12.200 12.893 -5.767 1.00 2.06 N ATOM 0 H GLN A 23 -6.275 12.772 -4.478 1.00 0.52 H new ATOM 0 HA GLN A 23 -7.324 14.121 -6.739 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -8.240 12.081 -5.582 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.738 13.107 -4.251 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -10.176 14.411 -5.797 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.682 13.379 -7.125 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -12.365 13.863 -6.034 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -12.988 12.283 -5.548 1.00 2.06 H new ATOM 599 N ASN A 24 -7.520 15.622 -3.808 1.00 0.58 N ATOM 600 CA ASN A 24 -7.779 16.883 -3.118 1.00 0.65 C ATOM 601 C ASN A 24 -6.722 17.945 -3.414 1.00 0.60 C ATOM 602 O ASN A 24 -7.066 19.070 -3.785 1.00 0.63 O ATOM 603 CB ASN A 24 -7.862 16.661 -1.604 1.00 0.85 C ATOM 604 CG ASN A 24 -9.217 16.149 -1.159 1.00 1.10 C ATOM 605 OD1 ASN A 24 -10.109 16.929 -0.832 1.00 1.84 O ATOM 606 ND2 ASN A 24 -9.379 14.835 -1.134 1.00 1.21 N ATOM 0 H ASN A 24 -7.153 14.886 -3.204 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.734 17.249 -3.495 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -7.093 15.949 -1.303 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -7.647 17.599 -1.092 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -10.269 14.436 -0.835 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -8.614 14.221 -1.413 1.00 1.21 H new ATOM 613 N LEU A 25 -5.445 17.602 -3.240 1.00 0.60 N ATOM 614 CA LEU A 25 -4.365 18.592 -3.333 1.00 0.65 C ATOM 615 C LEU A 25 -4.329 19.299 -4.677 1.00 0.64 C ATOM 616 O LEU A 25 -4.556 18.706 -5.731 1.00 0.64 O ATOM 617 CB LEU A 25 -2.991 17.977 -3.066 1.00 0.76 C ATOM 618 CG LEU A 25 -2.723 17.518 -1.639 1.00 0.59 C ATOM 619 CD1 LEU A 25 -1.278 17.069 -1.512 1.00 0.81 C ATOM 620 CD2 LEU A 25 -3.026 18.625 -0.649 1.00 1.05 C ATOM 0 H LEU A 25 -5.132 16.653 -3.035 1.00 0.60 H new ATOM 0 HA LEU A 25 -4.589 19.325 -2.558 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.864 17.122 -3.730 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -2.230 18.708 -3.339 1.00 0.76 H new ATOM 0 HG LEU A 25 -3.380 16.678 -1.411 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.087 16.741 -0.490 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -1.092 16.244 -2.199 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -0.616 17.900 -1.755 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -2.827 18.273 0.363 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -2.395 19.488 -0.864 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -4.074 18.912 -0.734 1.00 1.05 H new ATOM 632 N SER A 26 -4.022 20.586 -4.600 1.00 0.73 N ATOM 633 CA SER A 26 -3.928 21.443 -5.764 1.00 0.83 C ATOM 634 C SER A 26 -2.687 22.331 -5.655 1.00 1.02 C ATOM 635 O SER A 26 -1.796 22.061 -4.845 1.00 1.78 O ATOM 636 CB SER A 26 -5.196 22.292 -5.881 1.00 0.93 C ATOM 637 OG SER A 26 -5.473 22.972 -4.663 1.00 1.72 O ATOM 0 H SER A 26 -3.830 21.064 -3.720 1.00 0.73 H new ATOM 0 HA SER A 26 -3.836 20.832 -6.662 1.00 0.83 H new ATOM 0 HB2 SER A 26 -5.079 23.017 -6.687 1.00 0.93 H new ATOM 0 HB3 SER A 26 -6.040 21.655 -6.145 1.00 0.93 H new ATOM 0 HG SER A 26 -4.723 22.852 -4.044 1.00 1.72 H new ATOM 643 N ASP A 27 -2.626 23.378 -6.468 1.00 0.96 N ATOM 644 CA ASP A 27 -1.516 24.322 -6.420 1.00 1.11 C ATOM 645 C ASP A 27 -1.469 25.020 -5.065 1.00 1.13 C ATOM 646 O ASP A 27 -2.492 25.163 -4.396 1.00 1.95 O ATOM 647 CB ASP A 27 -1.643 25.355 -7.541 1.00 1.42 C ATOM 648 CG ASP A 27 -1.527 24.731 -8.916 1.00 1.84 C ATOM 649 OD1 ASP A 27 -2.521 24.144 -9.398 1.00 2.19 O ATOM 650 OD2 ASP A 27 -0.445 24.838 -9.529 1.00 2.39 O ATOM 0 H ASP A 27 -3.333 23.595 -7.170 1.00 0.96 H new ATOM 0 HA ASP A 27 -0.588 23.768 -6.560 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -2.603 25.864 -7.456 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -0.869 26.113 -7.422 1.00 1.42 H new ATOM 655 N GLY A 28 -0.280 25.426 -4.648 1.00 0.93 N ATOM 656 CA GLY A 28 -0.130 26.076 -3.360 1.00 0.87 C ATOM 657 C GLY A 28 0.069 25.081 -2.230 1.00 0.75 C ATOM 658 O GLY A 28 0.950 25.254 -1.389 1.00 0.73 O ATOM 0 H GLY A 28 0.585 25.318 -5.177 1.00 0.93 H new ATOM 0 HA2 GLY A 28 0.721 26.756 -3.396 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -1.013 26.681 -3.156 1.00 0.87 H new ATOM 662 N ASP A 29 -0.741 24.029 -2.217 1.00 0.70 N ATOM 663 CA ASP A 29 -0.652 23.004 -1.179 1.00 0.67 C ATOM 664 C ASP A 29 0.566 22.129 -1.425 1.00 0.59 C ATOM 665 O ASP A 29 1.248 21.704 -0.499 1.00 0.60 O ATOM 666 CB ASP A 29 -1.906 22.126 -1.169 1.00 0.80 C ATOM 667 CG ASP A 29 -3.188 22.918 -1.326 1.00 1.47 C ATOM 668 OD1 ASP A 29 -3.523 23.711 -0.419 1.00 1.74 O ATOM 669 OD2 ASP A 29 -3.868 22.753 -2.365 1.00 2.25 O ATOM 0 H ASP A 29 -1.468 23.862 -2.913 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.564 23.503 -0.214 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -1.837 21.395 -1.975 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -1.943 21.567 -0.234 1.00 0.80 H new ATOM 674 N LYS A 30 0.838 21.870 -2.694 1.00 0.63 N ATOM 675 CA LYS A 30 1.991 21.072 -3.081 1.00 0.65 C ATOM 676 C LYS A 30 3.280 21.849 -2.824 1.00 0.61 C ATOM 677 O LYS A 30 4.370 21.279 -2.756 1.00 0.65 O ATOM 678 CB LYS A 30 1.881 20.696 -4.558 1.00 0.78 C ATOM 679 CG LYS A 30 0.593 19.967 -4.896 1.00 0.92 C ATOM 680 CD LYS A 30 0.395 19.860 -6.396 1.00 0.89 C ATOM 681 CE LYS A 30 -0.897 19.139 -6.738 1.00 0.96 C ATOM 682 NZ LYS A 30 -1.142 19.110 -8.205 1.00 1.31 N ATOM 0 H LYS A 30 0.274 22.202 -3.476 1.00 0.63 H new ATOM 0 HA LYS A 30 2.014 20.161 -2.483 1.00 0.65 H new ATOM 0 HB2 LYS A 30 1.948 21.601 -5.162 1.00 0.78 H new ATOM 0 HB3 LYS A 30 2.729 20.067 -4.830 1.00 0.78 H new ATOM 0 HG2 LYS A 30 0.612 18.969 -4.458 1.00 0.92 H new ATOM 0 HG3 LYS A 30 -0.252 20.494 -4.453 1.00 0.92 H new ATOM 0 HD2 LYS A 30 0.383 20.858 -6.834 1.00 0.89 H new ATOM 0 HD3 LYS A 30 1.237 19.328 -6.838 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -0.856 18.119 -6.356 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -1.731 19.633 -6.240 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.734 18.288 -8.442 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -1.630 19.982 -8.493 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -0.234 19.039 -8.707 1.00 1.31 H new ATOM 696 N THR A 31 3.128 23.158 -2.678 1.00 0.60 N ATOM 697 CA THR A 31 4.239 24.054 -2.398 1.00 0.61 C ATOM 698 C THR A 31 4.817 23.791 -1.013 1.00 0.52 C ATOM 699 O THR A 31 6.035 23.790 -0.823 1.00 0.54 O ATOM 700 CB THR A 31 3.762 25.513 -2.471 1.00 0.68 C ATOM 701 OG1 THR A 31 3.154 25.755 -3.745 1.00 0.80 O ATOM 702 CG2 THR A 31 4.909 26.489 -2.251 1.00 0.76 C ATOM 0 H THR A 31 2.226 23.629 -2.751 1.00 0.60 H new ATOM 0 HA THR A 31 5.014 23.875 -3.144 1.00 0.61 H new ATOM 0 HB THR A 31 3.033 25.672 -1.676 1.00 0.68 H new ATOM 0 HG1 THR A 31 2.848 26.685 -3.790 1.00 0.80 H new ATOM 0 HG21 THR A 31 4.534 27.511 -2.310 1.00 0.76 H new ATOM 0 HG22 THR A 31 5.347 26.319 -1.268 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.668 26.337 -3.018 1.00 0.76 H new ATOM 710 N VAL A 32 3.933 23.556 -0.057 1.00 0.50 N ATOM 711 CA VAL A 32 4.334 23.363 1.323 1.00 0.50 C ATOM 712 C VAL A 32 4.860 21.942 1.538 1.00 0.47 C ATOM 713 O VAL A 32 5.688 21.706 2.418 1.00 0.48 O ATOM 714 CB VAL A 32 3.159 23.655 2.284 1.00 0.57 C ATOM 715 CG1 VAL A 32 2.128 22.550 2.243 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.656 23.870 3.699 1.00 0.85 C ATOM 0 H VAL A 32 2.927 23.494 -0.215 1.00 0.50 H new ATOM 0 HA VAL A 32 5.137 24.066 1.543 1.00 0.50 H new ATOM 0 HB VAL A 32 2.679 24.574 1.947 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.315 22.785 2.930 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.733 22.458 1.231 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.591 21.609 2.539 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.810 24.074 4.355 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.174 22.975 4.043 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.342 24.717 3.719 1.00 0.85 H new ATOM 720 N LEU A 33 4.388 21.000 0.721 1.00 0.48 N ATOM 721 CA LEU A 33 4.844 19.617 0.792 1.00 0.49 C ATOM 722 C LEU A 33 6.352 19.510 0.623 1.00 0.50 C ATOM 723 O LEU A 33 7.024 18.873 1.433 1.00 0.54 O ATOM 724 CB LEU A 33 4.157 18.768 -0.281 1.00 0.53 C ATOM 725 CG LEU A 33 2.657 18.562 -0.094 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.092 17.749 -1.242 1.00 0.98 C ATOM 727 CD2 LEU A 33 2.372 17.867 1.228 1.00 0.74 C ATOM 0 H LEU A 33 3.687 21.174 0.000 1.00 0.48 H new ATOM 0 HA LEU A 33 4.580 19.245 1.782 1.00 0.49 H new ATOM 0 HB2 LEU A 33 4.324 19.235 -1.251 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.639 17.791 -0.311 1.00 0.53 H new ATOM 0 HG LEU A 33 2.175 19.540 -0.082 1.00 0.58 H new ATOM 0 HD11 LEU A 33 1.021 17.609 -1.096 1.00 0.98 H new ATOM 0 HD12 LEU A 33 2.265 18.276 -2.181 1.00 0.98 H new ATOM 0 HD13 LEU A 33 2.583 16.777 -1.276 1.00 0.98 H new ATOM 0 HD21 LEU A 33 1.297 17.729 1.342 1.00 0.74 H new ATOM 0 HD22 LEU A 33 2.866 16.895 1.242 1.00 0.74 H new ATOM 0 HD23 LEU A 33 2.749 18.477 2.049 1.00 0.74 H new ATOM 739 N LYS A 34 6.885 20.146 -0.413 1.00 0.51 N ATOM 740 CA LYS A 34 8.307 20.033 -0.719 1.00 0.56 C ATOM 741 C LYS A 34 9.156 20.560 0.436 1.00 0.53 C ATOM 742 O LYS A 34 10.291 20.140 0.623 1.00 0.59 O ATOM 743 CB LYS A 34 8.650 20.769 -2.018 1.00 0.65 C ATOM 744 CG LYS A 34 8.593 22.284 -1.908 1.00 0.93 C ATOM 745 CD LYS A 34 8.918 22.950 -3.235 1.00 0.89 C ATOM 746 CE LYS A 34 9.137 24.445 -3.069 1.00 1.70 C ATOM 747 NZ LYS A 34 7.942 25.130 -2.518 1.00 2.41 N ATOM 0 H LYS A 34 6.359 20.742 -1.052 1.00 0.51 H new ATOM 0 HA LYS A 34 8.535 18.976 -0.857 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.651 20.476 -2.335 1.00 0.65 H new ATOM 0 HB3 LYS A 34 7.961 20.446 -2.798 1.00 0.65 H new ATOM 0 HG2 LYS A 34 7.599 22.589 -1.580 1.00 0.93 H new ATOM 0 HG3 LYS A 34 9.297 22.622 -1.148 1.00 0.93 H new ATOM 0 HD2 LYS A 34 9.812 22.495 -3.662 1.00 0.89 H new ATOM 0 HD3 LYS A 34 8.104 22.776 -3.939 1.00 0.89 H new ATOM 0 HE2 LYS A 34 9.987 24.615 -2.408 1.00 1.70 H new ATOM 0 HE3 LYS A 34 9.391 24.882 -4.034 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 7.692 25.936 -3.126 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 7.145 24.463 -2.483 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 8.150 25.472 -1.558 1.00 2.41 H new ATOM 761 N GLU A 35 8.582 21.456 1.225 1.00 0.47 N ATOM 762 CA GLU A 35 9.262 22.005 2.389 1.00 0.47 C ATOM 763 C GLU A 35 9.407 20.942 3.471 1.00 0.46 C ATOM 764 O GLU A 35 10.408 20.894 4.181 1.00 0.57 O ATOM 765 CB GLU A 35 8.488 23.201 2.930 1.00 0.47 C ATOM 766 CG GLU A 35 8.391 24.358 1.952 1.00 0.61 C ATOM 767 CD GLU A 35 9.749 24.915 1.581 1.00 1.26 C ATOM 768 OE1 GLU A 35 10.390 25.561 2.437 1.00 1.47 O ATOM 769 OE2 GLU A 35 10.188 24.704 0.434 1.00 1.96 O ATOM 0 H GLU A 35 7.641 21.820 1.079 1.00 0.47 H new ATOM 0 HA GLU A 35 10.257 22.333 2.089 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.482 22.880 3.200 1.00 0.47 H new ATOM 0 HB3 GLU A 35 8.968 23.549 3.845 1.00 0.47 H new ATOM 0 HG2 GLU A 35 7.879 24.025 1.049 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.783 25.150 2.390 1.00 0.61 H new ATOM 776 N VAL A 36 8.402 20.093 3.584 1.00 0.41 N ATOM 777 CA VAL A 36 8.432 18.987 4.531 1.00 0.42 C ATOM 778 C VAL A 36 9.380 17.895 4.035 1.00 0.50 C ATOM 779 O VAL A 36 10.316 17.492 4.725 1.00 0.62 O ATOM 780 CB VAL A 36 7.014 18.396 4.723 1.00 0.43 C ATOM 781 CG1 VAL A 36 7.037 17.179 5.633 1.00 0.98 C ATOM 782 CG2 VAL A 36 6.065 19.454 5.268 1.00 0.74 C ATOM 0 H VAL A 36 7.548 20.147 3.029 1.00 0.41 H new ATOM 0 HA VAL A 36 8.788 19.366 5.489 1.00 0.42 H new ATOM 0 HB VAL A 36 6.653 18.072 3.747 1.00 0.43 H new ATOM 0 HG11 VAL A 36 6.025 16.790 5.746 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.675 16.410 5.197 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.428 17.463 6.610 1.00 0.98 H new ATOM 0 HG21 VAL A 36 5.073 19.021 5.397 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.433 19.812 6.230 1.00 0.74 H new ATOM 0 HG23 VAL A 36 6.009 20.288 4.568 1.00 0.74 H new ATOM 786 N PHE A 37 9.110 17.434 2.828 1.00 0.49 N ATOM 787 CA PHE A 37 9.885 16.402 2.150 1.00 0.54 C ATOM 788 C PHE A 37 11.366 16.736 1.956 1.00 0.59 C ATOM 789 O PHE A 37 12.222 15.891 2.223 1.00 0.66 O ATOM 790 CB PHE A 37 9.213 16.123 0.810 1.00 0.57 C ATOM 791 CG PHE A 37 7.936 15.352 1.006 1.00 0.57 C ATOM 792 CD1 PHE A 37 7.963 13.973 1.124 1.00 0.66 C ATOM 793 CD2 PHE A 37 6.720 16.001 1.121 1.00 0.74 C ATOM 794 CE1 PHE A 37 6.803 13.259 1.349 1.00 0.68 C ATOM 795 CE2 PHE A 37 5.556 15.294 1.340 1.00 0.83 C ATOM 796 CZ PHE A 37 5.598 13.921 1.456 1.00 0.71 C ATOM 0 H PHE A 37 8.324 17.774 2.274 1.00 0.49 H new ATOM 0 HA PHE A 37 9.891 15.521 2.791 1.00 0.54 H new ATOM 0 HB2 PHE A 37 9.001 17.063 0.301 1.00 0.57 H new ATOM 0 HB3 PHE A 37 9.890 15.558 0.169 1.00 0.57 H new ATOM 0 HD1 PHE A 37 8.904 13.449 1.039 1.00 0.66 H new ATOM 0 HD2 PHE A 37 6.681 17.077 1.038 1.00 0.74 H new ATOM 0 HE1 PHE A 37 6.839 12.184 1.441 1.00 0.68 H new ATOM 0 HE2 PHE A 37 4.613 15.815 1.420 1.00 0.83 H new ATOM 0 HZ PHE A 37 4.689 13.365 1.630 1.00 0.71 H new ATOM 806 N LYS A 38 11.690 17.941 1.491 1.00 0.60 N ATOM 807 CA LYS A 38 13.091 18.275 1.219 1.00 0.69 C ATOM 808 C LYS A 38 13.845 18.595 2.506 1.00 0.78 C ATOM 809 O LYS A 38 15.076 18.660 2.516 1.00 1.02 O ATOM 810 CB LYS A 38 13.213 19.423 0.216 1.00 0.75 C ATOM 811 CG LYS A 38 12.741 19.068 -1.175 1.00 0.76 C ATOM 812 CD LYS A 38 12.837 20.262 -2.100 1.00 0.91 C ATOM 813 CE LYS A 38 12.666 19.843 -3.539 1.00 1.37 C ATOM 814 NZ LYS A 38 12.733 20.999 -4.472 1.00 2.18 N ATOM 0 H LYS A 38 11.022 18.687 1.298 1.00 0.60 H new ATOM 0 HA LYS A 38 13.550 17.394 0.770 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.637 20.274 0.579 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.254 19.741 0.166 1.00 0.75 H new ATOM 0 HG2 LYS A 38 13.342 18.249 -1.569 1.00 0.76 H new ATOM 0 HG3 LYS A 38 11.710 18.716 -1.135 1.00 0.76 H new ATOM 0 HD2 LYS A 38 12.073 20.993 -1.837 1.00 0.91 H new ATOM 0 HD3 LYS A 38 13.803 20.750 -1.971 1.00 0.91 H new ATOM 0 HE2 LYS A 38 13.441 19.122 -3.800 1.00 1.37 H new ATOM 0 HE3 LYS A 38 11.707 19.338 -3.657 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 12.611 20.664 -5.449 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 11.978 21.676 -4.241 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 13.657 21.467 -4.380 1.00 2.18 H new ATOM 828 N ALA A 39 13.107 18.798 3.582 1.00 0.71 N ATOM 829 CA ALA A 39 13.698 18.902 4.904 1.00 0.87 C ATOM 830 C ALA A 39 14.005 17.513 5.448 1.00 0.82 C ATOM 831 O ALA A 39 15.153 17.068 5.368 1.00 1.56 O ATOM 832 CB ALA A 39 12.786 19.665 5.852 1.00 1.06 C ATOM 0 H ALA A 39 12.092 18.895 3.566 1.00 0.71 H new ATOM 0 HA ALA A 39 14.631 19.460 4.823 1.00 0.87 H new ATOM 0 HB1 ALA A 39 13.253 19.728 6.835 1.00 1.06 H new ATOM 0 HB2 ALA A 39 12.618 20.670 5.465 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.832 19.145 5.937 1.00 1.06 H new ATOM 838 N GLY A 40 12.985 16.812 5.941 1.00 0.78 N ATOM 839 CA GLY A 40 13.202 15.521 6.586 1.00 1.03 C ATOM 840 C GLY A 40 14.358 15.527 7.577 1.00 1.29 C ATOM 841 O GLY A 40 14.720 16.579 8.110 1.00 1.54 O ATOM 0 H GLY A 40 12.011 17.113 5.906 1.00 0.78 H new ATOM 0 HA2 GLY A 40 12.290 15.224 7.104 1.00 1.03 H new ATOM 0 HA3 GLY A 40 13.393 14.768 5.821 1.00 1.03 H new ATOM 845 N PRO A 41 14.944 14.358 7.880 1.00 1.37 N ATOM 846 CA PRO A 41 14.446 13.057 7.454 1.00 1.22 C ATOM 847 C PRO A 41 13.500 12.461 8.493 1.00 1.09 C ATOM 848 O PRO A 41 13.346 13.006 9.591 1.00 1.18 O ATOM 849 CB PRO A 41 15.723 12.218 7.324 1.00 1.37 C ATOM 850 CG PRO A 41 16.803 12.974 8.046 1.00 1.60 C ATOM 851 CD PRO A 41 16.172 14.202 8.655 1.00 1.68 C ATOM 0 HA PRO A 41 13.869 13.103 6.530 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.584 11.229 7.760 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.986 12.071 6.276 1.00 1.37 H new ATOM 0 HG2 PRO A 41 17.254 12.352 8.819 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.600 13.255 7.357 1.00 1.60 H new ATOM 0 HD2 PRO A 41 15.965 14.065 9.716 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.819 15.075 8.566 1.00 1.68 H new ATOM 859 N TYR A 42 12.865 11.347 8.152 1.00 0.99 N ATOM 860 CA TYR A 42 11.814 10.792 8.992 1.00 0.92 C ATOM 861 C TYR A 42 12.014 9.307 9.232 1.00 0.97 C ATOM 862 O TYR A 42 11.804 8.483 8.344 1.00 1.08 O ATOM 863 CB TYR A 42 10.445 11.049 8.355 1.00 0.85 C ATOM 864 CG TYR A 42 10.198 12.513 8.073 1.00 0.87 C ATOM 865 CD1 TYR A 42 9.924 13.404 9.101 1.00 0.90 C ATOM 866 CD2 TYR A 42 10.201 12.991 6.774 1.00 0.99 C ATOM 867 CE1 TYR A 42 9.661 14.735 8.837 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.948 14.319 6.501 1.00 1.10 C ATOM 869 CZ TYR A 42 9.815 15.217 7.577 1.00 1.12 C ATOM 870 OH TYR A 42 9.400 16.503 7.262 1.00 1.28 O ATOM 0 H TYR A 42 13.058 10.813 7.305 1.00 0.99 H new ATOM 0 HA TYR A 42 11.860 11.290 9.960 1.00 0.92 H new ATOM 0 HB2 TYR A 42 10.371 10.486 7.424 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.665 10.674 9.017 1.00 0.85 H new ATOM 0 HD1 TYR A 42 9.916 13.052 10.122 1.00 0.90 H new ATOM 0 HD2 TYR A 42 10.405 12.312 5.960 1.00 0.99 H new ATOM 0 HE1 TYR A 42 9.334 15.390 9.631 1.00 1.02 H new ATOM 0 HE2 TYR A 42 9.854 14.663 5.482 1.00 1.10 H new ATOM 0 HH TYR A 42 9.780 16.767 6.398 1.00 1.28 H new ATOM 880 N LYS A 43 12.429 8.983 10.447 1.00 0.96 N ATOM 881 CA LYS A 43 12.564 7.602 10.886 1.00 1.01 C ATOM 882 C LYS A 43 11.185 6.987 11.108 1.00 0.98 C ATOM 883 O LYS A 43 11.025 5.767 11.121 1.00 1.06 O ATOM 884 CB LYS A 43 13.376 7.556 12.184 1.00 1.10 C ATOM 885 CG LYS A 43 13.686 6.150 12.673 1.00 1.72 C ATOM 886 CD LYS A 43 14.490 6.174 13.962 1.00 2.26 C ATOM 887 CE LYS A 43 14.776 4.771 14.473 1.00 2.94 C ATOM 888 NZ LYS A 43 13.526 4.020 14.763 1.00 3.51 N ATOM 0 H LYS A 43 12.682 9.670 11.157 1.00 0.96 H new ATOM 0 HA LYS A 43 13.082 7.028 10.118 1.00 1.01 H new ATOM 0 HB2 LYS A 43 14.313 8.091 12.033 1.00 1.10 H new ATOM 0 HB3 LYS A 43 12.828 8.087 12.962 1.00 1.10 H new ATOM 0 HG2 LYS A 43 12.755 5.606 12.833 1.00 1.72 H new ATOM 0 HG3 LYS A 43 14.242 5.611 11.906 1.00 1.72 H new ATOM 0 HD2 LYS A 43 15.430 6.699 13.794 1.00 2.26 H new ATOM 0 HD3 LYS A 43 13.944 6.733 14.721 1.00 2.26 H new ATOM 0 HE2 LYS A 43 15.362 4.227 13.732 1.00 2.94 H new ATOM 0 HE3 LYS A 43 15.382 4.831 15.377 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 13.750 3.183 15.338 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 12.866 4.632 15.285 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 13.086 3.719 13.870 1.00 3.51 H new ATOM 902 N ASN A 44 10.186 7.846 11.258 1.00 0.88 N ATOM 903 CA ASN A 44 8.827 7.410 11.531 1.00 0.85 C ATOM 904 C ASN A 44 7.841 8.350 10.847 1.00 0.80 C ATOM 905 O ASN A 44 8.173 9.496 10.534 1.00 0.85 O ATOM 906 CB ASN A 44 8.575 7.383 13.043 1.00 0.89 C ATOM 907 CG ASN A 44 8.627 8.763 13.672 1.00 0.95 C ATOM 908 OD1 ASN A 44 7.608 9.436 13.801 1.00 1.52 O ATOM 909 ND2 ASN A 44 9.818 9.201 14.050 1.00 1.10 N ATOM 0 H ASN A 44 10.295 8.858 11.194 1.00 0.88 H new ATOM 0 HA ASN A 44 8.688 6.402 11.139 1.00 0.85 H new ATOM 0 HB2 ASN A 44 7.599 6.937 13.236 1.00 0.89 H new ATOM 0 HB3 ASN A 44 9.318 6.743 13.519 1.00 0.89 H new ATOM 0 HD21 ASN A 44 9.912 10.128 14.465 1.00 1.10 H new ATOM 0 HD22 ASN A 44 10.641 8.612 13.926 1.00 1.10 H new ATOM 916 N THR A 45 6.633 7.856 10.617 1.00 0.77 N ATOM 917 CA THR A 45 5.622 8.594 9.879 1.00 0.76 C ATOM 918 C THR A 45 4.996 9.698 10.735 1.00 0.74 C ATOM 919 O THR A 45 4.539 10.713 10.208 1.00 0.92 O ATOM 920 CB THR A 45 4.520 7.643 9.376 1.00 0.84 C ATOM 921 OG1 THR A 45 5.117 6.498 8.752 1.00 1.05 O ATOM 922 CG2 THR A 45 3.605 8.339 8.381 1.00 1.18 C ATOM 0 H THR A 45 6.328 6.936 10.936 1.00 0.77 H new ATOM 0 HA THR A 45 6.116 9.060 9.026 1.00 0.76 H new ATOM 0 HB THR A 45 3.924 7.332 10.234 1.00 0.84 H new ATOM 0 HG1 THR A 45 4.413 5.894 8.435 1.00 1.05 H new ATOM 0 HG21 THR A 45 2.837 7.643 8.044 1.00 1.18 H new ATOM 0 HG22 THR A 45 3.132 9.196 8.860 1.00 1.18 H new ATOM 0 HG23 THR A 45 4.189 8.678 7.525 1.00 1.18 H new ATOM 930 N GLU A 46 4.989 9.500 12.051 1.00 0.72 N ATOM 931 CA GLU A 46 4.448 10.497 12.978 1.00 0.71 C ATOM 932 C GLU A 46 5.179 11.826 12.832 1.00 0.66 C ATOM 933 O GLU A 46 4.556 12.886 12.803 1.00 0.65 O ATOM 934 CB GLU A 46 4.554 10.009 14.423 1.00 0.79 C ATOM 935 CG GLU A 46 3.690 8.798 14.729 1.00 1.41 C ATOM 936 CD GLU A 46 3.753 8.403 16.188 1.00 1.82 C ATOM 937 OE1 GLU A 46 3.137 9.095 17.025 1.00 2.12 O ATOM 938 OE2 GLU A 46 4.409 7.388 16.508 1.00 2.24 O ATOM 0 H GLU A 46 5.351 8.660 12.502 1.00 0.72 H new ATOM 0 HA GLU A 46 3.397 10.643 12.730 1.00 0.71 H new ATOM 0 HB2 GLU A 46 5.594 9.764 14.638 1.00 0.79 H new ATOM 0 HB3 GLU A 46 4.273 10.822 15.092 1.00 0.79 H new ATOM 0 HG2 GLU A 46 2.657 9.013 14.457 1.00 1.41 H new ATOM 0 HG3 GLU A 46 4.013 7.959 14.113 1.00 1.41 H new ATOM 945 N GLU A 47 6.500 11.755 12.718 1.00 0.67 N ATOM 946 CA GLU A 47 7.332 12.910 12.534 1.00 0.67 C ATOM 947 C GLU A 47 6.962 13.649 11.249 1.00 0.60 C ATOM 948 O GLU A 47 7.029 14.877 11.174 1.00 0.58 O ATOM 949 CB GLU A 47 8.753 12.397 12.473 1.00 0.73 C ATOM 950 CG GLU A 47 9.808 13.455 12.558 1.00 0.98 C ATOM 951 CD GLU A 47 9.768 14.230 13.856 1.00 1.64 C ATOM 952 OE1 GLU A 47 10.168 13.673 14.900 1.00 2.26 O ATOM 953 OE2 GLU A 47 9.332 15.397 13.839 1.00 2.03 O ATOM 0 H GLU A 47 7.018 10.877 12.753 1.00 0.67 H new ATOM 0 HA GLU A 47 7.205 13.624 13.348 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.903 11.688 13.287 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.885 11.846 11.542 1.00 0.73 H new ATOM 0 HG2 GLU A 47 10.788 12.992 12.449 1.00 0.98 H new ATOM 0 HG3 GLU A 47 9.688 14.147 11.725 1.00 0.98 H new ATOM 960 N SER A 48 6.552 12.886 10.243 1.00 0.58 N ATOM 961 CA SER A 48 6.158 13.449 8.963 1.00 0.54 C ATOM 962 C SER A 48 4.794 14.124 9.077 1.00 0.51 C ATOM 963 O SER A 48 4.587 15.216 8.544 1.00 0.49 O ATOM 964 CB SER A 48 6.123 12.351 7.897 1.00 0.57 C ATOM 965 OG SER A 48 5.786 12.871 6.618 1.00 1.19 O ATOM 0 H SER A 48 6.484 11.869 10.293 1.00 0.58 H new ATOM 0 HA SER A 48 6.890 14.201 8.669 1.00 0.54 H new ATOM 0 HB2 SER A 48 7.096 11.862 7.846 1.00 0.57 H new ATOM 0 HB3 SER A 48 5.398 11.589 8.183 1.00 0.57 H new ATOM 0 HG SER A 48 4.838 12.701 6.435 1.00 1.19 H new ATOM 971 N ILE A 49 3.872 13.472 9.775 1.00 0.51 N ATOM 972 CA ILE A 49 2.539 14.021 9.986 1.00 0.49 C ATOM 973 C ILE A 49 2.629 15.295 10.811 1.00 0.49 C ATOM 974 O ILE A 49 1.982 16.296 10.513 1.00 0.47 O ATOM 975 CB ILE A 49 1.618 13.000 10.694 1.00 0.51 C ATOM 976 CG1 ILE A 49 1.471 11.740 9.834 1.00 0.52 C ATOM 977 CG2 ILE A 49 0.256 13.617 10.988 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.657 10.645 10.487 1.00 0.55 C ATOM 0 H ILE A 49 4.024 12.560 10.205 1.00 0.51 H new ATOM 0 HA ILE A 49 2.108 14.248 9.011 1.00 0.49 H new ATOM 0 HB ILE A 49 2.072 12.720 11.645 1.00 0.51 H new ATOM 0 HG12 ILE A 49 1.004 12.011 8.887 1.00 0.52 H new ATOM 0 HG13 ILE A 49 2.463 11.353 9.602 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.376 12.882 11.486 1.00 0.50 H new ATOM 0 HG22 ILE A 49 0.382 14.485 11.635 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.213 13.925 10.054 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.598 9.787 9.817 1.00 0.55 H new ATOM 0 HD12 ILE A 49 1.133 10.345 11.420 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.348 11.013 10.694 1.00 0.55 H new ATOM 985 N ALA A 50 3.468 15.245 11.832 1.00 0.52 N ATOM 986 CA ALA A 50 3.752 16.394 12.678 1.00 0.53 C ATOM 987 C ALA A 50 4.301 17.562 11.864 1.00 0.50 C ATOM 988 O ALA A 50 3.984 18.725 12.128 1.00 0.50 O ATOM 989 CB ALA A 50 4.750 15.987 13.739 1.00 0.57 C ATOM 0 H ALA A 50 3.975 14.401 12.100 1.00 0.52 H new ATOM 0 HA ALA A 50 2.823 16.724 13.144 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.970 16.842 14.379 1.00 0.57 H new ATOM 0 HB2 ALA A 50 4.332 15.181 14.342 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.669 15.645 13.262 1.00 0.57 H new ATOM 995 N ALA A 51 5.129 17.256 10.877 1.00 0.49 N ATOM 996 CA ALA A 51 5.707 18.285 10.028 1.00 0.48 C ATOM 997 C ALA A 51 4.632 18.917 9.156 1.00 0.45 C ATOM 998 O ALA A 51 4.628 20.122 8.917 1.00 0.47 O ATOM 999 CB ALA A 51 6.808 17.695 9.165 1.00 0.50 C ATOM 0 H ALA A 51 5.415 16.305 10.645 1.00 0.49 H new ATOM 0 HA ALA A 51 6.138 19.060 10.662 1.00 0.48 H new ATOM 0 HB1 ALA A 51 7.233 18.475 8.534 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.588 17.280 9.804 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.395 16.906 8.537 1.00 0.50 H new ATOM 1005 N LEU A 52 3.715 18.082 8.695 1.00 0.42 N ATOM 1006 CA LEU A 52 2.609 18.536 7.868 1.00 0.40 C ATOM 1007 C LEU A 52 1.588 19.307 8.691 1.00 0.39 C ATOM 1008 O LEU A 52 1.005 20.265 8.202 1.00 0.40 O ATOM 1009 CB LEU A 52 1.947 17.351 7.164 1.00 0.40 C ATOM 1010 CG LEU A 52 2.654 16.872 5.897 1.00 0.41 C ATOM 1011 CD1 LEU A 52 2.197 15.471 5.528 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.370 17.830 4.754 1.00 0.41 C ATOM 0 H LEU A 52 3.715 17.079 8.881 1.00 0.42 H new ATOM 0 HA LEU A 52 3.009 19.212 7.112 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.888 16.519 7.865 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.924 17.626 6.909 1.00 0.40 H new ATOM 0 HG LEU A 52 3.727 16.847 6.085 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.711 15.147 4.623 1.00 0.45 H new ATOM 0 HD12 LEU A 52 2.430 14.786 6.343 1.00 0.45 H new ATOM 0 HD13 LEU A 52 1.121 15.474 5.353 1.00 0.45 H new ATOM 0 HD21 LEU A 52 2.877 17.483 3.854 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.296 17.872 4.573 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.733 18.824 5.014 1.00 0.41 H new ATOM 1024 N LYS A 53 1.377 18.902 9.930 1.00 0.39 N ATOM 1025 CA LYS A 53 0.461 19.619 10.811 1.00 0.39 C ATOM 1026 C LYS A 53 0.942 21.040 11.087 1.00 0.40 C ATOM 1027 O LYS A 53 0.148 21.978 11.088 1.00 0.45 O ATOM 1028 CB LYS A 53 0.275 18.870 12.126 1.00 0.41 C ATOM 1029 CG LYS A 53 -0.536 17.596 11.990 1.00 0.42 C ATOM 1030 CD LYS A 53 -0.822 16.984 13.347 1.00 0.52 C ATOM 1031 CE LYS A 53 -1.804 15.833 13.241 1.00 0.52 C ATOM 1032 NZ LYS A 53 -2.174 15.301 14.578 1.00 1.22 N ATOM 0 H LYS A 53 1.822 18.086 10.351 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.498 19.679 10.297 1.00 0.39 H new ATOM 0 HB2 LYS A 53 1.255 18.625 12.537 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.216 19.528 12.843 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.475 17.811 11.480 1.00 0.42 H new ATOM 0 HG3 LYS A 53 0.006 16.880 11.372 1.00 0.42 H new ATOM 0 HD2 LYS A 53 0.108 16.630 13.791 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.224 17.747 14.014 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -2.702 16.167 12.721 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.366 15.036 12.640 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -2.956 14.623 14.478 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -1.353 14.822 15.001 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -2.472 16.085 15.193 1.00 1.22 H new ATOM 1046 N LYS A 54 2.241 21.200 11.314 1.00 0.39 N ATOM 1047 CA LYS A 54 2.793 22.514 11.632 1.00 0.41 C ATOM 1048 C LYS A 54 2.813 23.409 10.392 1.00 0.41 C ATOM 1049 O LYS A 54 2.632 24.623 10.485 1.00 0.47 O ATOM 1050 CB LYS A 54 4.198 22.393 12.245 1.00 0.44 C ATOM 1051 CG LYS A 54 5.256 21.835 11.309 1.00 1.24 C ATOM 1052 CD LYS A 54 6.653 21.954 11.906 1.00 1.63 C ATOM 1053 CE LYS A 54 6.775 21.233 13.245 1.00 2.24 C ATOM 1054 NZ LYS A 54 6.543 19.767 13.125 1.00 3.05 N ATOM 0 H LYS A 54 2.927 20.445 11.285 1.00 0.39 H new ATOM 0 HA LYS A 54 2.145 22.978 12.376 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.517 23.378 12.585 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.140 21.755 13.127 1.00 0.44 H new ATOM 0 HG2 LYS A 54 5.039 20.788 11.096 1.00 1.24 H new ATOM 0 HG3 LYS A 54 5.219 22.368 10.359 1.00 1.24 H new ATOM 0 HD2 LYS A 54 7.381 21.542 11.207 1.00 1.63 H new ATOM 0 HD3 LYS A 54 6.900 23.007 12.039 1.00 1.63 H new ATOM 0 HE2 LYS A 54 7.768 21.408 13.659 1.00 2.24 H new ATOM 0 HE3 LYS A 54 6.057 21.655 13.948 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 6.654 19.321 14.058 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 5.580 19.596 12.771 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 7.233 19.359 12.462 1.00 3.05 H new ATOM 1068 N LYS A 55 3.028 22.799 9.234 1.00 0.42 N ATOM 1069 CA LYS A 55 3.022 23.509 7.964 1.00 0.48 C ATOM 1070 C LYS A 55 1.603 23.802 7.488 1.00 0.47 C ATOM 1071 O LYS A 55 1.304 24.924 7.085 1.00 0.58 O ATOM 1072 CB LYS A 55 3.763 22.694 6.908 1.00 0.55 C ATOM 1073 CG LYS A 55 5.266 22.890 6.913 1.00 1.23 C ATOM 1074 CD LYS A 55 5.630 24.308 6.511 1.00 1.16 C ATOM 1075 CE LYS A 55 7.049 24.390 5.988 1.00 1.03 C ATOM 1076 NZ LYS A 55 8.055 24.099 7.044 1.00 1.48 N ATOM 0 H LYS A 55 3.211 21.799 9.150 1.00 0.42 H new ATOM 0 HA LYS A 55 3.528 24.462 8.115 1.00 0.48 H new ATOM 0 HB2 LYS A 55 3.545 21.637 7.062 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.377 22.959 5.924 1.00 0.55 H new ATOM 0 HG2 LYS A 55 5.661 22.677 7.906 1.00 1.23 H new ATOM 0 HG3 LYS A 55 5.731 22.183 6.226 1.00 1.23 H new ATOM 0 HD2 LYS A 55 4.938 24.659 5.745 1.00 1.16 H new ATOM 0 HD3 LYS A 55 5.519 24.971 7.369 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.173 23.684 5.166 1.00 1.03 H new ATOM 0 HE3 LYS A 55 7.228 25.386 5.583 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 9.011 24.167 6.641 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 7.956 24.787 7.817 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.902 23.139 7.414 1.00 1.48 H new ATOM 1090 N SER A 56 0.737 22.811 7.519 1.00 0.39 N ATOM 1091 CA SER A 56 -0.632 22.997 7.069 1.00 0.39 C ATOM 1092 C SER A 56 -1.581 22.099 7.850 1.00 0.38 C ATOM 1093 O SER A 56 -1.744 20.921 7.524 1.00 0.38 O ATOM 1094 CB SER A 56 -0.733 22.722 5.567 1.00 0.40 C ATOM 1095 OG SER A 56 0.065 23.637 4.833 1.00 1.16 O ATOM 0 H SER A 56 0.953 21.870 7.849 1.00 0.39 H new ATOM 0 HA SER A 56 -0.923 24.031 7.252 1.00 0.39 H new ATOM 0 HB2 SER A 56 -0.411 21.702 5.357 1.00 0.40 H new ATOM 0 HB3 SER A 56 -1.772 22.801 5.247 1.00 0.40 H new ATOM 0 HG SER A 56 -0.336 23.787 3.951 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.192 22.660 8.912 1.00 0.41 N ATOM 1102 CA PRO A 57 -2.996 21.914 9.889 1.00 0.43 C ATOM 1103 C PRO A 57 -3.896 20.855 9.265 1.00 0.44 C ATOM 1104 O PRO A 57 -3.820 19.675 9.611 1.00 0.45 O ATOM 1105 CB PRO A 57 -3.843 23.011 10.521 1.00 0.48 C ATOM 1106 CG PRO A 57 -2.962 24.210 10.499 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.139 24.099 9.245 1.00 0.45 C ATOM 0 HA PRO A 57 -2.367 21.355 10.581 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.760 23.180 9.957 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.137 22.751 11.538 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.551 25.127 10.499 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.324 24.241 11.382 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.550 24.710 8.442 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.115 24.434 9.408 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.745 21.305 8.339 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.709 20.441 7.668 1.00 0.51 C ATOM 1117 C GLU A 58 -5.037 19.350 6.844 1.00 0.47 C ATOM 1118 O GLU A 58 -5.564 18.244 6.741 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.623 21.256 6.756 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.484 22.272 7.486 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.436 22.992 6.555 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -9.479 22.410 6.195 1.00 2.42 O ATOM 1123 OE2 GLU A 58 -8.143 24.144 6.166 1.00 2.45 O ATOM 0 H GLU A 58 -4.781 22.278 8.036 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.294 19.965 8.455 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -6.012 21.777 6.019 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -7.272 20.574 6.207 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -8.054 21.768 8.267 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -6.842 23.001 7.980 1.00 1.44 H new ATOM 1130 N LEU A 59 -3.874 19.638 6.266 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.229 18.655 5.410 1.00 0.48 C ATOM 1132 C LEU A 59 -2.678 17.538 6.277 1.00 0.43 C ATOM 1133 O LEU A 59 -2.799 16.352 5.963 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.107 19.281 4.577 1.00 0.56 C ATOM 1135 CG LEU A 59 -2.564 20.281 3.511 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -1.395 20.682 2.623 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -3.694 19.697 2.676 1.00 1.42 C ATOM 0 H LEU A 59 -3.372 20.520 6.372 1.00 0.46 H new ATOM 0 HA LEU A 59 -3.968 18.260 4.713 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -1.414 19.785 5.251 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.551 18.482 4.087 1.00 0.56 H new ATOM 0 HG LEU A 59 -2.938 21.173 4.014 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -1.737 21.393 1.871 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -0.617 21.143 3.232 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -0.993 19.797 2.130 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -4.004 20.423 1.925 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -3.349 18.788 2.182 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -4.539 19.460 3.322 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.082 17.959 7.390 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.600 17.033 8.386 1.00 0.36 C ATOM 1151 C GLY A 60 -2.734 16.267 9.022 1.00 0.35 C ATOM 1152 O GLY A 60 -2.581 15.106 9.378 1.00 0.36 O ATOM 0 H GLY A 60 -1.926 18.941 7.616 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -0.900 16.335 7.927 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.050 17.577 9.154 1.00 0.36 H new ATOM 1156 N ALA A 61 -3.878 16.924 9.167 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.076 16.279 9.686 1.00 0.42 C ATOM 1158 C ALA A 61 -5.607 15.241 8.699 1.00 0.44 C ATOM 1159 O ALA A 61 -6.184 14.225 9.100 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.144 17.317 9.995 1.00 0.45 C ATOM 0 H ALA A 61 -4.001 17.909 8.931 1.00 0.37 H new ATOM 0 HA ALA A 61 -4.814 15.764 10.610 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.033 16.820 10.382 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -5.766 18.017 10.740 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.399 17.859 9.084 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.418 15.496 7.408 1.00 0.45 N ATOM 1167 CA LYS A 62 -5.797 14.541 6.387 1.00 0.50 C ATOM 1168 C LYS A 62 -4.925 13.300 6.475 1.00 0.54 C ATOM 1169 O LYS A 62 -5.438 12.191 6.615 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.705 15.160 4.992 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.853 16.101 4.662 1.00 0.90 C ATOM 1172 CD LYS A 62 -6.849 16.517 3.198 1.00 1.25 C ATOM 1173 CE LYS A 62 -7.070 15.333 2.261 1.00 1.51 C ATOM 1174 NZ LYS A 62 -8.383 14.663 2.485 1.00 2.17 N ATOM 0 H LYS A 62 -5.005 16.357 7.050 1.00 0.45 H new ATOM 0 HA LYS A 62 -6.834 14.255 6.560 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -4.765 15.705 4.908 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -5.678 14.361 4.251 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -7.799 15.614 4.898 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -6.786 16.989 5.291 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -7.629 17.260 3.031 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -5.898 16.994 2.960 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -7.013 15.676 1.228 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -6.268 14.609 2.401 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -8.567 13.992 1.712 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -8.362 14.151 3.390 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -9.138 15.378 2.510 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.606 13.484 6.424 1.00 0.45 N ATOM 1189 CA VAL A 63 -2.688 12.353 6.504 1.00 0.48 C ATOM 1190 C VAL A 63 -2.728 11.709 7.881 1.00 0.46 C ATOM 1191 O VAL A 63 -2.365 10.548 8.041 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.242 12.758 6.163 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -1.194 13.354 4.776 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.687 13.731 7.185 1.00 1.12 C ATOM 0 H VAL A 63 -3.155 14.394 6.329 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.022 11.628 5.762 1.00 0.48 H new ATOM 0 HB VAL A 63 -0.617 11.865 6.189 1.00 0.48 H new ATOM 0 HG11 VAL A 63 -0.169 13.640 4.538 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.543 12.618 4.052 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -1.835 14.235 4.736 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.335 13.997 6.916 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -1.303 14.630 7.204 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -0.693 13.266 8.171 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.163 12.476 8.870 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.400 11.945 10.205 1.00 0.42 C ATOM 1200 C GLU A 64 -4.409 10.809 10.137 1.00 0.50 C ATOM 1201 O GLU A 64 -4.116 9.676 10.524 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.931 13.031 11.142 1.00 0.42 C ATOM 1203 CG GLU A 64 -4.292 12.513 12.526 1.00 0.53 C ATOM 1204 CD GLU A 64 -5.099 13.507 13.332 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -6.326 13.600 13.120 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -4.516 14.194 14.192 1.00 1.70 O ATOM 0 H GLU A 64 -3.360 13.472 8.773 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.451 11.578 10.596 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -3.180 13.815 11.240 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.812 13.489 10.693 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -4.859 11.588 12.426 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.378 12.270 13.068 1.00 0.53 H new ATOM 1213 N LYS A 65 -5.592 11.117 9.618 1.00 0.58 N ATOM 1214 CA LYS A 65 -6.660 10.137 9.558 1.00 0.69 C ATOM 1215 C LYS A 65 -6.344 9.088 8.502 1.00 0.71 C ATOM 1216 O LYS A 65 -6.682 7.918 8.646 1.00 0.76 O ATOM 1217 CB LYS A 65 -7.997 10.814 9.252 1.00 0.84 C ATOM 1218 CG LYS A 65 -8.438 11.798 10.327 1.00 1.92 C ATOM 1219 CD LYS A 65 -9.811 12.381 10.027 1.00 2.40 C ATOM 1220 CE LYS A 65 -9.788 13.296 8.812 1.00 3.23 C ATOM 1221 NZ LYS A 65 -8.985 14.524 9.052 1.00 3.96 N ATOM 0 H LYS A 65 -5.831 12.032 9.236 1.00 0.58 H new ATOM 0 HA LYS A 65 -6.739 9.649 10.529 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -7.920 11.338 8.300 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -8.764 10.049 9.134 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -8.459 11.295 11.294 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -7.709 12.605 10.403 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -10.520 11.571 9.857 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -10.166 12.938 10.894 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -9.377 12.755 7.959 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -10.808 13.576 8.550 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -9.234 15.245 8.345 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -9.185 14.889 10.005 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -7.973 14.298 8.974 1.00 3.96 H new ATOM 1235 N LEU A 66 -5.661 9.536 7.457 1.00 0.72 N ATOM 1236 CA LEU A 66 -5.252 8.680 6.350 1.00 0.80 C ATOM 1237 C LEU A 66 -4.301 7.605 6.864 1.00 0.76 C ATOM 1238 O LEU A 66 -4.420 6.434 6.510 1.00 1.07 O ATOM 1239 CB LEU A 66 -4.555 9.536 5.280 1.00 0.84 C ATOM 1240 CG LEU A 66 -4.680 9.089 3.819 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -4.150 7.677 3.615 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -6.120 9.199 3.355 1.00 1.37 C ATOM 0 H LEU A 66 -5.373 10.509 7.352 1.00 0.72 H new ATOM 0 HA LEU A 66 -6.126 8.199 5.911 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -4.946 10.551 5.355 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -3.494 9.584 5.527 1.00 0.84 H new ATOM 0 HG LEU A 66 -4.066 9.755 3.213 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -4.256 7.396 2.567 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -3.098 7.639 3.896 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -4.716 6.983 4.236 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -6.193 8.878 2.316 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -6.752 8.564 3.976 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -6.451 10.234 3.439 1.00 1.37 H new ATOM 1254 N HIS A 67 -3.394 7.999 7.739 1.00 0.52 N ATOM 1255 CA HIS A 67 -2.393 7.080 8.241 1.00 0.55 C ATOM 1256 C HIS A 67 -3.045 6.134 9.223 1.00 0.44 C ATOM 1257 O HIS A 67 -2.757 4.945 9.244 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.245 7.842 8.905 1.00 0.67 C ATOM 1259 CG HIS A 67 -0.112 6.970 9.343 1.00 0.94 C ATOM 1260 ND1 HIS A 67 0.318 6.885 10.648 1.00 1.62 N ATOM 1261 CD2 HIS A 67 0.698 6.156 8.631 1.00 1.85 C ATOM 1262 CE1 HIS A 67 1.343 6.058 10.720 1.00 2.13 C ATOM 1263 NE2 HIS A 67 1.592 5.600 9.509 1.00 2.34 N ATOM 0 H HIS A 67 -3.331 8.945 8.115 1.00 0.52 H new ATOM 0 HA HIS A 67 -1.975 6.510 7.411 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -0.867 8.589 8.208 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -1.632 8.380 9.770 1.00 0.67 H new ATOM 0 HD2 HIS A 67 0.650 5.977 7.567 1.00 1.85 H new ATOM 0 HE1 HIS A 67 1.886 5.800 11.618 1.00 2.13 H new ATOM 0 HE2 HIS A 67 2.330 4.939 9.265 1.00 2.34 H new ATOM 1272 N ALA A 68 -3.950 6.688 10.009 1.00 0.39 N ATOM 1273 CA ALA A 68 -4.707 5.932 10.989 1.00 0.36 C ATOM 1274 C ALA A 68 -5.597 4.894 10.311 1.00 0.34 C ATOM 1275 O ALA A 68 -5.680 3.754 10.758 1.00 0.37 O ATOM 1276 CB ALA A 68 -5.535 6.900 11.810 1.00 0.40 C ATOM 0 H ALA A 68 -4.182 7.681 9.985 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.021 5.391 11.641 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.111 6.347 12.552 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -4.875 7.606 12.314 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.215 7.444 11.154 1.00 0.40 H new ATOM 1282 N MET A 69 -6.255 5.299 9.230 1.00 0.33 N ATOM 1283 CA MET A 69 -7.075 4.390 8.429 1.00 0.37 C ATOM 1284 C MET A 69 -6.257 3.197 7.959 1.00 0.37 C ATOM 1285 O MET A 69 -6.625 2.041 8.189 1.00 0.42 O ATOM 1286 CB MET A 69 -7.624 5.118 7.207 1.00 0.46 C ATOM 1287 CG MET A 69 -8.792 6.042 7.495 1.00 0.44 C ATOM 1288 SD MET A 69 -9.122 7.163 6.122 1.00 0.72 S ATOM 1289 CE MET A 69 -8.843 6.068 4.730 1.00 0.55 C ATOM 0 H MET A 69 -6.237 6.258 8.884 1.00 0.33 H new ATOM 0 HA MET A 69 -7.896 4.040 9.055 1.00 0.37 H new ATOM 0 HB2 MET A 69 -6.820 5.700 6.755 1.00 0.46 H new ATOM 0 HB3 MET A 69 -7.936 4.379 6.469 1.00 0.46 H new ATOM 0 HG2 MET A 69 -9.682 5.448 7.700 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.582 6.622 8.394 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.272 6.508 3.830 1.00 0.55 H new ATOM 0 HE2 MET A 69 -7.772 5.925 4.589 1.00 0.55 H new ATOM 0 HE3 MET A 69 -9.316 5.105 4.924 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.152 3.499 7.294 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.237 2.494 6.795 1.00 0.39 C ATOM 1301 C VAL A 70 -3.716 1.632 7.936 1.00 0.38 C ATOM 1302 O VAL A 70 -3.685 0.404 7.841 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.072 3.186 6.064 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.002 2.193 5.659 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -3.603 3.937 4.852 1.00 0.70 C ATOM 0 H VAL A 70 -4.867 4.456 7.086 1.00 0.36 H new ATOM 0 HA VAL A 70 -4.763 1.843 6.097 1.00 0.39 H new ATOM 0 HB VAL A 70 -2.608 3.896 6.748 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.195 2.716 5.146 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -1.607 1.701 6.548 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -2.432 1.446 4.992 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -2.777 4.426 4.336 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -4.090 3.236 4.174 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -4.324 4.688 5.176 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.342 2.287 9.026 1.00 0.40 N ATOM 1310 CA LYS A 71 -2.864 1.596 10.215 1.00 0.43 C ATOM 1311 C LYS A 71 -3.923 0.662 10.781 1.00 0.44 C ATOM 1312 O LYS A 71 -3.603 -0.421 11.249 1.00 0.45 O ATOM 1313 CB LYS A 71 -2.432 2.592 11.292 1.00 0.48 C ATOM 1314 CG LYS A 71 -1.055 3.201 11.058 1.00 1.22 C ATOM 1315 CD LYS A 71 0.020 2.134 10.894 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.020 1.119 12.024 1.00 0.75 C ATOM 1317 NZ LYS A 71 1.032 0.079 11.874 1.00 1.47 N ATOM 0 H LYS A 71 -3.361 3.303 9.111 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.002 1.001 9.913 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -3.168 3.394 11.346 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -2.436 2.090 12.259 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -1.082 3.828 10.167 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -0.798 3.849 11.896 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.116 1.623 9.941 1.00 1.30 H new ATOM 0 HD3 LYS A 71 1.001 2.607 10.864 1.00 1.30 H new ATOM 0 HE2 LYS A 71 0.110 1.632 12.977 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -1.000 0.643 12.049 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 0.688 -0.822 12.264 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.257 -0.044 10.866 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 1.887 0.374 12.387 1.00 1.47 H new ATOM 1331 N SER A 72 -5.180 1.082 10.729 1.00 0.45 N ATOM 1332 CA SER A 72 -6.279 0.282 11.253 1.00 0.49 C ATOM 1333 C SER A 72 -6.425 -1.020 10.470 1.00 0.45 C ATOM 1334 O SER A 72 -6.699 -2.073 11.044 1.00 0.49 O ATOM 1335 CB SER A 72 -7.582 1.084 11.218 1.00 0.56 C ATOM 1336 OG SER A 72 -7.490 2.243 12.032 1.00 1.26 O ATOM 0 H SER A 72 -5.465 1.976 10.328 1.00 0.45 H new ATOM 0 HA SER A 72 -6.056 0.027 12.289 1.00 0.49 H new ATOM 0 HB2 SER A 72 -7.807 1.374 10.192 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.407 0.459 11.561 1.00 0.56 H new ATOM 0 HG SER A 72 -6.914 2.905 11.595 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.216 -0.949 9.161 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.269 -2.134 8.314 1.00 0.38 C ATOM 1344 C LYS A 73 -5.045 -3.017 8.549 1.00 0.33 C ATOM 1345 O LYS A 73 -5.095 -4.212 8.306 1.00 0.38 O ATOM 1346 CB LYS A 73 -6.364 -1.757 6.831 1.00 0.44 C ATOM 1347 CG LYS A 73 -7.612 -0.978 6.450 1.00 0.62 C ATOM 1348 CD LYS A 73 -7.574 -0.585 4.981 1.00 0.78 C ATOM 1349 CE LYS A 73 -8.885 0.033 4.528 1.00 0.88 C ATOM 1350 NZ LYS A 73 -8.870 0.374 3.079 1.00 1.54 N ATOM 0 H LYS A 73 -6.008 -0.083 8.663 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.167 -2.691 8.583 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -5.488 -1.166 6.564 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -6.326 -2.669 6.236 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -8.498 -1.582 6.647 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -7.692 -0.084 7.069 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -6.762 0.123 4.815 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -7.358 -1.465 4.375 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -9.701 -0.661 4.729 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -9.082 0.933 5.110 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -9.845 0.401 2.719 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -8.426 1.305 2.946 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -8.328 -0.345 2.559 1.00 1.54 H new ATOM 1364 N ILE A 74 -3.960 -2.439 9.033 1.00 0.28 N ATOM 1365 CA ILE A 74 -2.780 -3.225 9.379 1.00 0.28 C ATOM 1366 C ILE A 74 -2.868 -3.696 10.829 1.00 0.28 C ATOM 1367 O ILE A 74 -2.207 -4.647 11.242 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.492 -2.416 9.137 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.492 -1.953 7.677 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.254 -3.257 9.455 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.367 -1.021 7.295 1.00 0.32 C ATOM 0 H ILE A 74 -3.867 -1.436 9.196 1.00 0.28 H new ATOM 0 HA ILE A 74 -2.745 -4.103 8.734 1.00 0.28 H new ATOM 0 HB ILE A 74 -1.462 -1.549 9.797 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.447 -2.832 7.034 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.440 -1.455 7.471 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.644 -2.665 9.277 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.283 -3.567 10.500 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.240 -4.139 8.815 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.458 -0.753 6.242 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -0.419 -0.119 7.905 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.589 -1.517 7.462 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.712 -3.025 11.587 1.00 0.31 N ATOM 1379 CA ALA A 75 -4.007 -3.411 12.957 1.00 0.32 C ATOM 1380 C ALA A 75 -4.933 -4.613 12.964 1.00 0.32 C ATOM 1381 O ALA A 75 -4.820 -5.510 13.800 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.675 -2.255 13.681 1.00 0.34 C ATOM 0 H ALA A 75 -4.215 -2.195 11.272 1.00 0.31 H new ATOM 0 HA ALA A 75 -3.077 -3.669 13.463 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.895 -2.547 14.708 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -4.008 -1.393 13.684 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.602 -1.994 13.171 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.849 -4.615 12.000 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.839 -5.666 11.862 1.00 0.32 C ATOM 1390 C ALA A 76 -6.295 -6.758 10.954 1.00 0.34 C ATOM 1391 O ALA A 76 -6.895 -7.825 10.799 1.00 0.49 O ATOM 1392 CB ALA A 76 -8.129 -5.091 11.303 1.00 0.35 C ATOM 0 H ALA A 76 -5.922 -3.883 11.293 1.00 0.31 H new ATOM 0 HA ALA A 76 -7.054 -6.099 12.839 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.868 -5.886 11.202 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.509 -4.326 11.980 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.937 -4.648 10.326 1.00 0.35 H new ATOM 1398 N LEU A 77 -5.151 -6.467 10.359 1.00 0.34 N ATOM 1399 CA LEU A 77 -4.407 -7.436 9.581 1.00 0.31 C ATOM 1400 C LEU A 77 -3.518 -8.180 10.561 1.00 0.32 C ATOM 1401 O LEU A 77 -2.749 -7.561 11.284 1.00 0.33 O ATOM 1402 CB LEU A 77 -3.578 -6.703 8.508 1.00 0.30 C ATOM 1403 CG LEU A 77 -3.164 -7.489 7.249 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -4.269 -8.432 6.805 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.859 -6.506 6.134 1.00 0.58 C ATOM 0 H LEU A 77 -4.712 -5.547 10.404 1.00 0.34 H new ATOM 0 HA LEU A 77 -5.060 -8.137 9.060 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -4.147 -5.831 8.185 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.670 -6.333 8.984 1.00 0.30 H new ATOM 0 HG LEU A 77 -2.282 -8.085 7.482 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.949 -8.973 5.915 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -4.484 -9.142 7.604 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -5.167 -7.858 6.578 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -2.565 -7.052 5.238 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -3.747 -5.911 5.921 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -2.046 -5.848 6.441 1.00 0.58 H new ATOM 1417 N GLY A 78 -3.661 -9.488 10.631 1.00 0.36 N ATOM 1418 CA GLY A 78 -2.957 -10.249 11.651 1.00 0.42 C ATOM 1419 C GLY A 78 -1.666 -10.953 11.212 1.00 0.46 C ATOM 1420 O GLY A 78 -0.919 -11.407 12.079 1.00 0.76 O ATOM 0 H GLY A 78 -4.247 -10.042 10.006 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -2.715 -9.575 12.473 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -3.639 -11.002 12.046 1.00 0.42 H new ATOM 1424 N PRO A 79 -1.339 -11.077 9.910 1.00 0.66 N ATOM 1425 CA PRO A 79 -0.240 -11.907 9.458 1.00 0.86 C ATOM 1426 C PRO A 79 1.062 -11.208 9.156 1.00 0.60 C ATOM 1427 O PRO A 79 1.431 -10.214 9.774 1.00 0.64 O ATOM 1428 CB PRO A 79 -0.810 -12.471 8.135 1.00 1.32 C ATOM 1429 CG PRO A 79 -2.056 -11.703 7.850 1.00 1.56 C ATOM 1430 CD PRO A 79 -2.005 -10.512 8.745 1.00 1.10 C ATOM 0 HA PRO A 79 0.037 -12.614 10.240 1.00 0.86 H new ATOM 0 HB2 PRO A 79 -0.091 -12.359 7.324 1.00 1.32 H new ATOM 0 HB3 PRO A 79 -1.023 -13.536 8.227 1.00 1.32 H new ATOM 0 HG2 PRO A 79 -2.102 -11.405 6.803 1.00 1.56 H new ATOM 0 HG3 PRO A 79 -2.942 -12.306 8.049 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -1.442 -9.688 8.306 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -2.998 -10.129 8.981 1.00 1.10 H new ATOM 1438 N GLU A 80 1.743 -11.754 8.164 1.00 0.51 N ATOM 1439 CA GLU A 80 2.869 -11.091 7.562 1.00 0.49 C ATOM 1440 C GLU A 80 2.305 -10.072 6.595 1.00 0.42 C ATOM 1441 O GLU A 80 3.029 -9.251 6.046 1.00 0.49 O ATOM 1442 CB GLU A 80 3.761 -12.080 6.812 1.00 0.70 C ATOM 1443 CG GLU A 80 4.266 -13.230 7.663 1.00 1.25 C ATOM 1444 CD GLU A 80 4.861 -14.339 6.824 1.00 1.79 C ATOM 1445 OE1 GLU A 80 4.090 -15.128 6.245 1.00 2.52 O ATOM 1446 OE2 GLU A 80 6.102 -14.434 6.745 1.00 2.19 O ATOM 0 H GLU A 80 1.527 -12.665 7.760 1.00 0.51 H new ATOM 0 HA GLU A 80 3.486 -10.622 8.329 1.00 0.49 H new ATOM 0 HB2 GLU A 80 3.205 -12.485 5.967 1.00 0.70 H new ATOM 0 HB3 GLU A 80 4.616 -11.543 6.403 1.00 0.70 H new ATOM 0 HG2 GLU A 80 5.017 -12.861 8.361 1.00 1.25 H new ATOM 0 HG3 GLU A 80 3.445 -13.628 8.259 1.00 1.25 H new ATOM 1453 N ALA A 81 0.982 -10.124 6.416 1.00 0.36 N ATOM 1454 CA ALA A 81 0.294 -9.209 5.532 1.00 0.34 C ATOM 1455 C ALA A 81 0.331 -7.828 6.115 1.00 0.31 C ATOM 1456 O ALA A 81 0.469 -6.843 5.399 1.00 0.32 O ATOM 1457 CB ALA A 81 -1.134 -9.652 5.285 1.00 0.36 C ATOM 0 H ALA A 81 0.372 -10.798 6.879 1.00 0.36 H new ATOM 0 HA ALA A 81 0.803 -9.204 4.568 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.624 -8.944 4.617 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -1.134 -10.642 4.828 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.672 -9.690 6.232 1.00 0.36 H new ATOM 1463 N LYS A 82 0.229 -7.760 7.430 1.00 0.31 N ATOM 1464 CA LYS A 82 0.315 -6.497 8.113 1.00 0.33 C ATOM 1465 C LYS A 82 1.758 -6.011 8.082 1.00 0.33 C ATOM 1466 O LYS A 82 2.014 -4.824 7.911 1.00 0.32 O ATOM 1467 CB LYS A 82 -0.213 -6.643 9.534 1.00 0.41 C ATOM 1468 CG LYS A 82 0.756 -7.285 10.485 1.00 0.60 C ATOM 1469 CD LYS A 82 0.039 -8.177 11.469 1.00 0.86 C ATOM 1470 CE LYS A 82 0.881 -8.490 12.682 1.00 1.33 C ATOM 1471 NZ LYS A 82 2.314 -8.694 12.338 1.00 2.04 N ATOM 0 H LYS A 82 0.087 -8.566 8.039 1.00 0.31 H new ATOM 0 HA LYS A 82 -0.302 -5.750 7.614 1.00 0.33 H new ATOM 0 HB2 LYS A 82 -0.479 -5.657 9.914 1.00 0.41 H new ATOM 0 HB3 LYS A 82 -1.129 -7.234 9.511 1.00 0.41 H new ATOM 0 HG2 LYS A 82 1.487 -7.869 9.926 1.00 0.60 H new ATOM 0 HG3 LYS A 82 1.308 -6.514 11.023 1.00 0.60 H new ATOM 0 HD2 LYS A 82 -0.885 -7.694 11.786 1.00 0.86 H new ATOM 0 HD3 LYS A 82 -0.241 -9.107 10.975 1.00 0.86 H new ATOM 0 HE2 LYS A 82 0.795 -7.675 13.401 1.00 1.33 H new ATOM 0 HE3 LYS A 82 0.495 -9.386 13.168 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 2.782 -9.224 13.101 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 2.385 -9.231 11.450 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 2.778 -7.771 12.222 1.00 2.04 H new ATOM 1485 N GLY A 83 2.705 -6.946 8.197 1.00 0.37 N ATOM 1486 CA GLY A 83 4.108 -6.583 8.068 1.00 0.41 C ATOM 1487 C GLY A 83 4.429 -6.075 6.672 1.00 0.39 C ATOM 1488 O GLY A 83 5.132 -5.076 6.500 1.00 0.41 O ATOM 0 H GLY A 83 2.528 -7.935 8.375 1.00 0.37 H new ATOM 0 HA2 GLY A 83 4.354 -5.815 8.801 1.00 0.41 H new ATOM 0 HA3 GLY A 83 4.731 -7.449 8.293 1.00 0.41 H new ATOM 1492 N PHE A 84 3.896 -6.772 5.676 1.00 0.37 N ATOM 1493 CA PHE A 84 4.044 -6.388 4.280 1.00 0.37 C ATOM 1494 C PHE A 84 3.329 -5.073 3.995 1.00 0.34 C ATOM 1495 O PHE A 84 3.829 -4.242 3.240 1.00 0.37 O ATOM 1496 CB PHE A 84 3.506 -7.500 3.374 1.00 0.39 C ATOM 1497 CG PHE A 84 3.127 -7.043 1.994 1.00 0.74 C ATOM 1498 CD1 PHE A 84 4.084 -6.514 1.144 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.824 -7.154 1.541 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.748 -6.105 -0.129 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.484 -6.745 0.270 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.408 -6.177 -0.542 1.00 1.59 C ATOM 0 H PHE A 84 3.348 -7.621 5.815 1.00 0.37 H new ATOM 0 HA PHE A 84 5.104 -6.242 4.072 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.261 -8.282 3.291 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.633 -7.949 3.848 1.00 0.39 H new ATOM 0 HD1 PHE A 84 5.105 -6.421 1.482 1.00 0.71 H new ATOM 0 HD2 PHE A 84 1.066 -7.566 2.191 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.507 -5.733 -0.801 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.472 -6.878 -0.082 1.00 1.65 H new ATOM 0 HZ PHE A 84 2.115 -5.781 -1.503 1.00 1.59 H new ATOM 1512 N ALA A 85 2.162 -4.889 4.593 1.00 0.30 N ATOM 1513 CA ALA A 85 1.406 -3.655 4.440 1.00 0.30 C ATOM 1514 C ALA A 85 2.252 -2.459 4.862 1.00 0.32 C ATOM 1515 O ALA A 85 2.285 -1.426 4.192 1.00 0.41 O ATOM 1516 CB ALA A 85 0.137 -3.728 5.270 1.00 0.28 C ATOM 0 H ALA A 85 1.716 -5.583 5.192 1.00 0.30 H new ATOM 0 HA ALA A 85 1.137 -3.529 3.391 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.427 -2.803 5.154 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.470 -4.568 4.933 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.396 -3.865 6.320 1.00 0.28 H new ATOM 1522 N GLU A 86 2.954 -2.633 5.975 1.00 0.31 N ATOM 1523 CA GLU A 86 3.865 -1.623 6.497 1.00 0.37 C ATOM 1524 C GLU A 86 4.964 -1.294 5.482 1.00 0.44 C ATOM 1525 O GLU A 86 5.463 -0.170 5.434 1.00 0.70 O ATOM 1526 CB GLU A 86 4.498 -2.129 7.791 1.00 0.43 C ATOM 1527 CG GLU A 86 3.497 -2.410 8.900 1.00 0.55 C ATOM 1528 CD GLU A 86 3.140 -1.177 9.703 1.00 0.95 C ATOM 1529 OE1 GLU A 86 3.886 -0.855 10.650 1.00 1.11 O ATOM 1530 OE2 GLU A 86 2.111 -0.536 9.412 1.00 1.96 O ATOM 0 H GLU A 86 2.907 -3.480 6.542 1.00 0.31 H new ATOM 0 HA GLU A 86 3.296 -0.714 6.692 1.00 0.37 H new ATOM 0 HB2 GLU A 86 5.055 -3.042 7.578 1.00 0.43 H new ATOM 0 HB3 GLU A 86 5.218 -1.391 8.144 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.589 -2.828 8.465 1.00 0.55 H new ATOM 0 HG3 GLU A 86 3.908 -3.166 9.569 1.00 0.55 H new ATOM 1537 N LYS A 87 5.338 -2.281 4.674 1.00 0.41 N ATOM 1538 CA LYS A 87 6.406 -2.114 3.704 1.00 0.49 C ATOM 1539 C LYS A 87 5.868 -1.554 2.386 1.00 0.49 C ATOM 1540 O LYS A 87 6.427 -0.613 1.831 1.00 0.57 O ATOM 1541 CB LYS A 87 7.098 -3.458 3.454 1.00 0.57 C ATOM 1542 CG LYS A 87 8.334 -3.345 2.586 1.00 0.69 C ATOM 1543 CD LYS A 87 9.387 -2.463 3.239 1.00 1.25 C ATOM 1544 CE LYS A 87 10.646 -2.365 2.397 1.00 1.75 C ATOM 1545 NZ LYS A 87 11.646 -1.452 3.010 1.00 2.12 N ATOM 0 H LYS A 87 4.913 -3.208 4.675 1.00 0.41 H new ATOM 0 HA LYS A 87 7.127 -1.404 4.109 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.374 -3.900 4.411 1.00 0.57 H new ATOM 0 HB3 LYS A 87 6.391 -4.140 2.981 1.00 0.57 H new ATOM 0 HG2 LYS A 87 8.748 -4.337 2.407 1.00 0.69 H new ATOM 0 HG3 LYS A 87 8.062 -2.933 1.614 1.00 0.69 H new ATOM 0 HD2 LYS A 87 8.977 -1.465 3.397 1.00 1.25 H new ATOM 0 HD3 LYS A 87 9.638 -2.864 4.221 1.00 1.25 H new ATOM 0 HE2 LYS A 87 11.083 -3.357 2.278 1.00 1.75 H new ATOM 0 HE3 LYS A 87 10.390 -2.008 1.399 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 12.493 -1.410 2.408 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 11.237 -0.500 3.100 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 11.909 -1.807 3.952 1.00 2.12 H new ATOM 1559 N SER A 88 4.776 -2.136 1.904 1.00 0.46 N ATOM 1560 CA SER A 88 4.204 -1.764 0.615 1.00 0.51 C ATOM 1561 C SER A 88 3.778 -0.300 0.595 1.00 0.51 C ATOM 1562 O SER A 88 4.095 0.433 -0.344 1.00 0.57 O ATOM 1563 CB SER A 88 3.017 -2.672 0.287 1.00 0.56 C ATOM 1564 OG SER A 88 2.157 -2.810 1.405 1.00 0.48 O ATOM 0 H SER A 88 4.266 -2.873 2.391 1.00 0.46 H new ATOM 0 HA SER A 88 4.973 -1.893 -0.146 1.00 0.51 H new ATOM 0 HB2 SER A 88 2.461 -2.259 -0.555 1.00 0.56 H new ATOM 0 HB3 SER A 88 3.379 -3.653 -0.020 1.00 0.56 H new ATOM 0 HG SER A 88 2.565 -3.415 2.059 1.00 0.48 H new ATOM 1570 N ILE A 89 3.074 0.122 1.640 1.00 0.50 N ATOM 1571 CA ILE A 89 2.638 1.504 1.755 1.00 0.56 C ATOM 1572 C ILE A 89 3.846 2.437 1.815 1.00 0.55 C ATOM 1573 O ILE A 89 3.848 3.495 1.193 1.00 0.59 O ATOM 1574 CB ILE A 89 1.722 1.710 2.995 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.267 1.340 2.667 1.00 0.83 C ATOM 1576 CG2 ILE A 89 1.793 3.141 3.510 1.00 0.79 C ATOM 1577 CD1 ILE A 89 0.048 -0.117 2.317 1.00 1.09 C ATOM 0 H ILE A 89 2.794 -0.475 2.418 1.00 0.50 H new ATOM 0 HA ILE A 89 2.051 1.747 0.869 1.00 0.56 H new ATOM 0 HB ILE A 89 2.086 1.048 3.781 1.00 0.63 H new ATOM 0 HG12 ILE A 89 -0.359 1.592 3.523 1.00 0.83 H new ATOM 0 HG13 ILE A 89 -0.071 1.955 1.833 1.00 0.83 H new ATOM 0 HG21 ILE A 89 1.141 3.249 4.377 1.00 0.79 H new ATOM 0 HG22 ILE A 89 2.818 3.374 3.797 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.471 3.826 2.726 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -1.007 -0.285 2.101 1.00 1.09 H new ATOM 0 HD12 ILE A 89 0.643 -0.374 1.441 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.350 -0.742 3.157 1.00 1.09 H new ATOM 1584 N GLU A 90 4.880 2.019 2.540 1.00 0.53 N ATOM 1585 CA GLU A 90 6.099 2.807 2.676 1.00 0.60 C ATOM 1586 C GLU A 90 6.791 2.995 1.321 1.00 0.56 C ATOM 1587 O GLU A 90 7.217 4.102 0.980 1.00 0.63 O ATOM 1588 CB GLU A 90 7.050 2.121 3.661 1.00 0.69 C ATOM 1589 CG GLU A 90 7.666 3.059 4.685 1.00 1.28 C ATOM 1590 CD GLU A 90 8.478 4.172 4.054 1.00 2.08 C ATOM 1591 OE1 GLU A 90 9.463 3.868 3.343 1.00 2.82 O ATOM 1592 OE2 GLU A 90 8.137 5.358 4.262 1.00 2.41 O ATOM 0 H GLU A 90 4.896 1.133 3.045 1.00 0.53 H new ATOM 0 HA GLU A 90 5.830 3.793 3.056 1.00 0.60 H new ATOM 0 HB2 GLU A 90 6.507 1.334 4.185 1.00 0.69 H new ATOM 0 HB3 GLU A 90 7.850 1.637 3.100 1.00 0.69 H new ATOM 0 HG2 GLU A 90 6.874 3.495 5.294 1.00 1.28 H new ATOM 0 HG3 GLU A 90 8.305 2.486 5.357 1.00 1.28 H new ATOM 1599 N ILE A 91 6.894 1.915 0.550 1.00 0.47 N ATOM 1600 CA ILE A 91 7.535 1.968 -0.759 1.00 0.46 C ATOM 1601 C ILE A 91 6.745 2.857 -1.718 1.00 0.47 C ATOM 1602 O ILE A 91 7.322 3.715 -2.392 1.00 0.51 O ATOM 1603 CB ILE A 91 7.700 0.558 -1.374 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.582 -0.315 -0.475 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.301 0.655 -2.769 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.759 -1.730 -0.987 1.00 0.45 C ATOM 0 H ILE A 91 6.542 0.994 0.810 1.00 0.47 H new ATOM 0 HA ILE A 91 8.527 2.395 -0.610 1.00 0.46 H new ATOM 0 HB ILE A 91 6.716 0.096 -1.451 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.562 0.152 -0.378 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.146 -0.351 0.523 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.411 -0.345 -3.188 1.00 0.49 H new ATOM 0 HG22 ILE A 91 7.645 1.246 -3.408 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.279 1.134 -2.712 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.395 -2.289 -0.300 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.786 -2.216 -1.058 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.224 -1.705 -1.972 1.00 0.45 H new ATOM 1613 N ALA A 92 5.427 2.668 -1.755 1.00 0.47 N ATOM 1614 CA ALA A 92 4.563 3.481 -2.602 1.00 0.53 C ATOM 1615 C ALA A 92 4.608 4.933 -2.150 1.00 0.60 C ATOM 1616 O ALA A 92 4.601 5.858 -2.965 1.00 0.64 O ATOM 1617 CB ALA A 92 3.134 2.952 -2.565 1.00 0.56 C ATOM 0 H ALA A 92 4.937 1.960 -1.209 1.00 0.47 H new ATOM 0 HA ALA A 92 4.922 3.425 -3.630 1.00 0.53 H new ATOM 0 HB1 ALA A 92 2.501 3.569 -3.202 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.117 1.923 -2.925 1.00 0.56 H new ATOM 0 HB3 ALA A 92 2.760 2.985 -1.542 1.00 0.56 H new ATOM 1623 N ARG A 93 4.671 5.118 -0.835 1.00 0.66 N ATOM 1624 CA ARG A 93 4.811 6.436 -0.238 1.00 0.77 C ATOM 1625 C ARG A 93 6.087 7.115 -0.720 1.00 0.68 C ATOM 1626 O ARG A 93 6.103 8.319 -0.931 1.00 0.68 O ATOM 1627 CB ARG A 93 4.806 6.325 1.291 1.00 0.99 C ATOM 1628 CG ARG A 93 5.253 7.587 2.009 1.00 1.55 C ATOM 1629 CD ARG A 93 5.159 7.432 3.519 1.00 1.83 C ATOM 1630 NE ARG A 93 5.935 8.460 4.211 1.00 2.71 N ATOM 1631 CZ ARG A 93 5.436 9.601 4.682 1.00 3.44 C ATOM 1632 NH1 ARG A 93 4.138 9.871 4.563 1.00 3.55 N ATOM 1633 NH2 ARG A 93 6.242 10.474 5.276 1.00 4.42 N ATOM 0 H ARG A 93 4.626 4.358 -0.157 1.00 0.66 H new ATOM 0 HA ARG A 93 3.964 7.048 -0.548 1.00 0.77 H new ATOM 0 HB2 ARG A 93 3.799 6.069 1.622 1.00 0.99 H new ATOM 0 HB3 ARG A 93 5.457 5.502 1.586 1.00 0.99 H new ATOM 0 HG2 ARG A 93 6.280 7.821 1.729 1.00 1.55 H new ATOM 0 HG3 ARG A 93 4.636 8.427 1.689 1.00 1.55 H new ATOM 0 HD2 ARG A 93 4.115 7.492 3.828 1.00 1.83 H new ATOM 0 HD3 ARG A 93 5.520 6.445 3.808 1.00 1.83 H new ATOM 0 HE ARG A 93 6.932 8.291 4.343 1.00 2.71 H new ATOM 0 HH11 ARG A 93 3.517 9.201 4.108 1.00 3.55 H new ATOM 0 HH12 ARG A 93 3.764 10.748 4.927 1.00 3.55 H new ATOM 0 HH21 ARG A 93 7.237 10.268 5.369 1.00 4.42 H new ATOM 0 HH22 ARG A 93 5.866 11.350 5.639 1.00 4.42 H new ATOM 1647 N GLY A 94 7.145 6.331 -0.915 1.00 0.66 N ATOM 1648 CA GLY A 94 8.413 6.882 -1.362 1.00 0.65 C ATOM 1649 C GLY A 94 8.336 7.448 -2.765 1.00 0.56 C ATOM 1650 O GLY A 94 8.983 8.452 -3.080 1.00 0.56 O ATOM 0 H GLY A 94 7.146 5.321 -0.771 1.00 0.66 H new ATOM 0 HA2 GLY A 94 8.728 7.667 -0.674 1.00 0.65 H new ATOM 0 HA3 GLY A 94 9.176 6.104 -1.329 1.00 0.65 H new ATOM 1654 N ILE A 95 7.547 6.808 -3.615 1.00 0.52 N ATOM 1655 CA ILE A 95 7.356 7.282 -4.975 1.00 0.48 C ATOM 1656 C ILE A 95 6.512 8.549 -4.969 1.00 0.47 C ATOM 1657 O ILE A 95 6.877 9.559 -5.571 1.00 0.49 O ATOM 1658 CB ILE A 95 6.682 6.212 -5.857 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.536 4.942 -5.901 1.00 0.53 C ATOM 1660 CG2 ILE A 95 6.451 6.748 -7.262 1.00 0.52 C ATOM 1661 CD1 ILE A 95 8.913 5.149 -6.499 1.00 0.55 C ATOM 0 H ILE A 95 7.029 5.959 -3.386 1.00 0.52 H new ATOM 0 HA ILE A 95 8.338 7.497 -5.395 1.00 0.48 H new ATOM 0 HB ILE A 95 5.715 5.963 -5.421 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.645 4.554 -4.888 1.00 0.53 H new ATOM 0 HG13 ILE A 95 7.010 4.182 -6.479 1.00 0.53 H new ATOM 0 HG21 ILE A 95 5.975 5.980 -7.871 1.00 0.52 H new ATOM 0 HG22 ILE A 95 5.806 7.626 -7.215 1.00 0.52 H new ATOM 0 HG23 ILE A 95 7.407 7.023 -7.708 1.00 0.52 H new ATOM 0 HD11 ILE A 95 9.457 4.204 -6.495 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.815 5.507 -7.524 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.459 5.885 -5.909 1.00 0.55 H new ATOM 1668 N LYS A 96 5.404 8.504 -4.242 1.00 0.50 N ATOM 1669 CA LYS A 96 4.531 9.662 -4.107 1.00 0.54 C ATOM 1670 C LYS A 96 5.024 10.568 -2.978 1.00 0.57 C ATOM 1671 O LYS A 96 4.253 11.258 -2.325 1.00 0.83 O ATOM 1672 CB LYS A 96 3.078 9.221 -3.887 1.00 0.64 C ATOM 1673 CG LYS A 96 2.844 8.495 -2.570 1.00 1.47 C ATOM 1674 CD LYS A 96 1.575 7.653 -2.602 1.00 1.78 C ATOM 1675 CE LYS A 96 0.350 8.461 -3.019 1.00 1.90 C ATOM 1676 NZ LYS A 96 0.058 9.580 -2.081 1.00 2.70 N ATOM 0 H LYS A 96 5.088 7.677 -3.736 1.00 0.50 H new ATOM 0 HA LYS A 96 4.561 10.237 -5.033 1.00 0.54 H new ATOM 0 HB2 LYS A 96 2.433 10.099 -3.926 1.00 0.64 H new ATOM 0 HB3 LYS A 96 2.779 8.569 -4.708 1.00 0.64 H new ATOM 0 HG2 LYS A 96 3.699 7.855 -2.352 1.00 1.47 H new ATOM 0 HG3 LYS A 96 2.776 9.223 -1.761 1.00 1.47 H new ATOM 0 HD2 LYS A 96 1.711 6.822 -3.294 1.00 1.78 H new ATOM 0 HD3 LYS A 96 1.404 7.222 -1.616 1.00 1.78 H new ATOM 0 HE2 LYS A 96 0.507 8.862 -4.020 1.00 1.90 H new ATOM 0 HE3 LYS A 96 -0.516 7.801 -3.072 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 -0.971 9.688 -1.980 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 0.478 9.373 -1.152 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 0.464 10.462 -2.455 1.00 2.70 H new ATOM 1690 N ALA A 97 6.322 10.511 -2.741 1.00 0.50 N ATOM 1691 CA ALA A 97 7.015 11.498 -1.927 1.00 0.53 C ATOM 1692 C ALA A 97 8.038 12.229 -2.775 1.00 0.46 C ATOM 1693 O ALA A 97 8.369 13.384 -2.514 1.00 0.48 O ATOM 1694 CB ALA A 97 7.691 10.837 -0.739 1.00 0.63 C ATOM 0 H ALA A 97 6.929 9.778 -3.108 1.00 0.50 H new ATOM 0 HA ALA A 97 6.286 12.213 -1.546 1.00 0.53 H new ATOM 0 HB1 ALA A 97 8.203 11.594 -0.144 1.00 0.63 H new ATOM 0 HB2 ALA A 97 6.941 10.339 -0.125 1.00 0.63 H new ATOM 0 HB3 ALA A 97 8.415 10.104 -1.094 1.00 0.63 H new ATOM 1700 N ARG A 98 8.532 11.555 -3.803 1.00 0.41 N ATOM 1701 CA ARG A 98 9.459 12.176 -4.735 1.00 0.44 C ATOM 1702 C ARG A 98 8.693 12.795 -5.897 1.00 0.44 C ATOM 1703 O ARG A 98 9.285 13.378 -6.794 1.00 0.53 O ATOM 1704 CB ARG A 98 10.504 11.171 -5.224 1.00 0.51 C ATOM 1705 CG ARG A 98 9.924 10.063 -6.086 1.00 1.02 C ATOM 1706 CD ARG A 98 10.915 8.933 -6.290 1.00 0.81 C ATOM 1707 NE ARG A 98 11.149 8.183 -5.059 1.00 1.51 N ATOM 1708 CZ ARG A 98 11.930 7.109 -4.980 1.00 1.94 C ATOM 1709 NH1 ARG A 98 12.579 6.680 -6.057 1.00 1.37 N ATOM 1710 NH2 ARG A 98 12.067 6.471 -3.826 1.00 3.10 N ATOM 0 H ARG A 98 8.307 10.582 -4.012 1.00 0.41 H new ATOM 0 HA ARG A 98 9.996 12.971 -4.217 1.00 0.44 H new ATOM 0 HB2 ARG A 98 11.267 11.701 -5.793 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.001 10.727 -4.361 1.00 0.51 H new ATOM 0 HG2 ARG A 98 9.020 9.674 -5.618 1.00 1.02 H new ATOM 0 HG3 ARG A 98 9.632 10.470 -7.054 1.00 1.02 H new ATOM 0 HD2 ARG A 98 10.542 8.258 -7.061 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.859 9.340 -6.652 1.00 0.81 H new ATOM 0 HE ARG A 98 10.686 8.502 -4.208 1.00 1.51 H new ATOM 0 HH11 ARG A 98 12.478 7.174 -6.944 1.00 1.37 H new ATOM 0 HH12 ARG A 98 13.178 5.857 -5.997 1.00 1.37 H new ATOM 0 HH21 ARG A 98 11.573 6.804 -2.998 1.00 3.10 H new ATOM 0 HH22 ARG A 98 12.666 5.648 -3.766 1.00 3.10 H new ATOM 1724 N TYR A 99 7.373 12.650 -5.874 1.00 0.44 N ATOM 1725 CA TYR A 99 6.500 13.470 -6.709 1.00 0.50 C ATOM 1726 C TYR A 99 6.242 14.797 -6.004 1.00 0.54 C ATOM 1727 O TYR A 99 6.225 15.858 -6.625 1.00 0.64 O ATOM 1728 CB TYR A 99 5.156 12.778 -6.965 1.00 0.53 C ATOM 1729 CG TYR A 99 5.126 11.863 -8.170 1.00 0.59 C ATOM 1730 CD1 TYR A 99 5.271 12.374 -9.457 1.00 0.73 C ATOM 1731 CD2 TYR A 99 4.925 10.496 -8.028 1.00 0.60 C ATOM 1732 CE1 TYR A 99 5.219 11.546 -10.562 1.00 0.85 C ATOM 1733 CE2 TYR A 99 4.876 9.663 -9.129 1.00 0.71 C ATOM 1734 CZ TYR A 99 5.022 10.192 -10.393 1.00 0.83 C ATOM 1735 OH TYR A 99 4.972 9.363 -11.491 1.00 0.97 O ATOM 0 H TYR A 99 6.884 11.974 -5.288 1.00 0.44 H new ATOM 0 HA TYR A 99 6.995 13.628 -7.667 1.00 0.50 H new ATOM 0 HB2 TYR A 99 4.889 12.199 -6.081 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.389 13.542 -7.089 1.00 0.53 H new ATOM 0 HD1 TYR A 99 5.427 13.434 -9.594 1.00 0.73 H new ATOM 0 HD2 TYR A 99 4.805 10.077 -7.040 1.00 0.60 H new ATOM 0 HE1 TYR A 99 5.332 11.958 -11.554 1.00 0.85 H new ATOM 0 HE2 TYR A 99 4.724 8.602 -9.000 1.00 0.71 H new ATOM 0 HH TYR A 99 5.685 8.694 -11.429 1.00 0.97 H new ATOM 1745 N TYR A 100 6.084 14.720 -4.683 1.00 0.51 N ATOM 1746 CA TYR A 100 5.683 15.869 -3.876 1.00 0.58 C ATOM 1747 C TYR A 100 6.775 16.931 -3.839 1.00 0.58 C ATOM 1748 O TYR A 100 6.502 18.114 -3.630 1.00 0.71 O ATOM 1749 CB TYR A 100 5.348 15.436 -2.446 1.00 0.57 C ATOM 1750 CG TYR A 100 4.083 14.608 -2.317 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.497 13.999 -3.418 1.00 1.03 C ATOM 1752 CD2 TYR A 100 3.481 14.437 -1.081 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.349 13.244 -3.287 1.00 1.26 C ATOM 1754 CE2 TYR A 100 2.335 13.683 -0.939 1.00 1.16 C ATOM 1755 CZ TYR A 100 1.771 13.088 -2.044 1.00 1.21 C ATOM 1756 OH TYR A 100 0.629 12.328 -1.904 1.00 1.48 O ATOM 0 H TYR A 100 6.230 13.865 -4.146 1.00 0.51 H new ATOM 0 HA TYR A 100 4.795 16.297 -4.342 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.185 14.861 -2.049 1.00 0.57 H new ATOM 0 HB3 TYR A 100 5.249 16.326 -1.825 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.946 14.118 -4.393 1.00 1.03 H new ATOM 0 HD2 TYR A 100 3.918 14.904 -0.211 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.905 12.777 -4.154 1.00 1.26 H new ATOM 0 HE2 TYR A 100 1.883 13.560 0.034 1.00 1.16 H new ATOM 0 HH TYR A 100 0.614 11.922 -1.012 1.00 1.48 H new ATOM 1766 N THR A 101 8.009 16.498 -4.048 1.00 0.55 N ATOM 1767 CA THR A 101 9.163 17.381 -3.983 1.00 0.66 C ATOM 1768 C THR A 101 9.306 18.237 -5.241 1.00 0.71 C ATOM 1769 O THR A 101 10.175 19.107 -5.309 1.00 0.71 O ATOM 1770 CB THR A 101 10.451 16.562 -3.790 1.00 0.71 C ATOM 1771 OG1 THR A 101 10.468 15.466 -4.712 1.00 0.65 O ATOM 1772 CG2 THR A 101 10.554 16.037 -2.367 1.00 0.87 C ATOM 0 H THR A 101 8.238 15.528 -4.267 1.00 0.55 H new ATOM 0 HA THR A 101 9.006 18.045 -3.133 1.00 0.66 H new ATOM 0 HB THR A 101 11.304 17.213 -3.978 1.00 0.71 H new ATOM 0 HG1 THR A 101 11.290 14.947 -4.588 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.473 15.462 -2.257 1.00 0.87 H new ATOM 0 HG22 THR A 101 10.565 16.875 -1.670 1.00 0.87 H new ATOM 0 HG23 THR A 101 9.698 15.398 -2.152 1.00 0.87 H new ATOM 1780 N GLY A 102 8.448 17.999 -6.225 1.00 0.82 N ATOM 1781 CA GLY A 102 8.583 18.681 -7.498 1.00 0.95 C ATOM 1782 C GLY A 102 9.445 17.891 -8.457 1.00 0.95 C ATOM 1783 O GLY A 102 9.805 18.369 -9.532 1.00 1.16 O ATOM 0 H GLY A 102 7.664 17.349 -6.165 1.00 0.82 H new ATOM 0 HA2 GLY A 102 7.597 18.836 -7.936 1.00 0.95 H new ATOM 0 HA3 GLY A 102 9.021 19.667 -7.340 1.00 0.95 H new ATOM 1787 N ASN A 103 9.780 16.679 -8.048 1.00 0.82 N ATOM 1788 CA ASN A 103 10.568 15.771 -8.866 1.00 0.89 C ATOM 1789 C ASN A 103 9.633 14.760 -9.521 1.00 0.98 C ATOM 1790 O ASN A 103 8.469 14.649 -9.135 1.00 1.83 O ATOM 1791 CB ASN A 103 11.614 15.064 -7.990 1.00 0.90 C ATOM 1792 CG ASN A 103 12.524 14.130 -8.769 1.00 1.28 C ATOM 1793 OD1 ASN A 103 12.829 14.366 -9.937 1.00 1.76 O ATOM 1794 ND2 ASN A 103 12.967 13.066 -8.124 1.00 1.65 N ATOM 0 H ASN A 103 9.514 16.296 -7.141 1.00 0.82 H new ATOM 0 HA ASN A 103 11.094 16.323 -9.645 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.222 15.815 -7.487 1.00 0.90 H new ATOM 0 HB3 ASN A 103 11.102 14.496 -7.213 1.00 0.90 H new ATOM 0 HD21 ASN A 103 13.585 12.405 -8.595 1.00 1.65 H new ATOM 0 HD22 ASN A 103 12.691 12.905 -7.155 1.00 1.65 H new ATOM 1801 N GLU A 104 10.123 14.038 -10.515 1.00 0.56 N ATOM 1802 CA GLU A 104 9.298 13.070 -11.214 1.00 0.56 C ATOM 1803 C GLU A 104 10.038 11.756 -11.415 1.00 0.49 C ATOM 1804 O GLU A 104 11.003 11.691 -12.179 1.00 0.55 O ATOM 1805 CB GLU A 104 8.861 13.625 -12.564 1.00 0.67 C ATOM 1806 CG GLU A 104 7.985 14.858 -12.467 1.00 0.80 C ATOM 1807 CD GLU A 104 7.597 15.385 -13.832 1.00 1.15 C ATOM 1808 OE1 GLU A 104 6.921 14.654 -14.590 1.00 1.75 O ATOM 1809 OE2 GLU A 104 7.953 16.536 -14.151 1.00 1.17 O ATOM 0 H GLU A 104 11.083 14.104 -10.854 1.00 0.56 H new ATOM 0 HA GLU A 104 8.418 12.878 -10.600 1.00 0.56 H new ATOM 0 HB2 GLU A 104 9.747 13.866 -13.151 1.00 0.67 H new ATOM 0 HB3 GLU A 104 8.321 12.849 -13.107 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.085 14.620 -11.901 1.00 0.80 H new ATOM 0 HG3 GLU A 104 8.513 15.635 -11.914 1.00 0.80 H new ATOM 1816 N PRO A 105 9.617 10.695 -10.711 1.00 0.44 N ATOM 1817 CA PRO A 105 10.152 9.348 -10.925 1.00 0.44 C ATOM 1818 C PRO A 105 9.879 8.862 -12.341 1.00 0.42 C ATOM 1819 O PRO A 105 8.900 9.270 -12.974 1.00 0.47 O ATOM 1820 CB PRO A 105 9.395 8.481 -9.911 1.00 0.48 C ATOM 1821 CG PRO A 105 8.222 9.289 -9.484 1.00 0.53 C ATOM 1822 CD PRO A 105 8.615 10.729 -9.638 1.00 0.49 C ATOM 0 HA PRO A 105 11.234 9.312 -10.796 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.079 7.540 -10.360 1.00 0.48 H new ATOM 0 HB3 PRO A 105 10.029 8.231 -9.060 1.00 0.48 H new ATOM 0 HG2 PRO A 105 7.349 9.058 -10.095 1.00 0.53 H new ATOM 0 HG3 PRO A 105 7.955 9.069 -8.450 1.00 0.53 H new ATOM 0 HD2 PRO A 105 7.761 11.352 -9.905 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.029 11.134 -8.714 1.00 0.49 H new ATOM 1830 N THR A 106 10.744 8.000 -12.840 1.00 0.42 N ATOM 1831 CA THR A 106 10.567 7.431 -14.159 1.00 0.42 C ATOM 1832 C THR A 106 9.578 6.278 -14.088 1.00 0.39 C ATOM 1833 O THR A 106 9.248 5.819 -12.991 1.00 0.41 O ATOM 1834 CB THR A 106 11.907 6.935 -14.736 1.00 0.50 C ATOM 1835 OG1 THR A 106 12.499 5.975 -13.847 1.00 1.48 O ATOM 1836 CG2 THR A 106 12.868 8.097 -14.942 1.00 1.05 C ATOM 0 H THR A 106 11.578 7.679 -12.349 1.00 0.42 H new ATOM 0 HA THR A 106 10.181 8.208 -14.819 1.00 0.42 H new ATOM 0 HB THR A 106 11.711 6.466 -15.700 1.00 0.50 H new ATOM 0 HG1 THR A 106 12.840 6.433 -13.050 1.00 1.48 H new ATOM 0 HG21 THR A 106 13.808 7.724 -15.350 1.00 1.05 H new ATOM 0 HG22 THR A 106 12.429 8.813 -15.637 1.00 1.05 H new ATOM 0 HG23 THR A 106 13.056 8.587 -13.987 1.00 1.05 H new ATOM 1844 N LYS A 107 9.101 5.799 -15.226 1.00 0.39 N ATOM 1845 CA LYS A 107 8.189 4.667 -15.219 1.00 0.39 C ATOM 1846 C LYS A 107 8.914 3.440 -14.672 1.00 0.36 C ATOM 1847 O LYS A 107 8.317 2.571 -14.039 1.00 0.38 O ATOM 1848 CB LYS A 107 7.633 4.401 -16.622 1.00 0.43 C ATOM 1849 CG LYS A 107 6.604 3.280 -16.669 1.00 1.33 C ATOM 1850 CD LYS A 107 5.984 3.138 -18.050 1.00 1.66 C ATOM 1851 CE LYS A 107 7.032 2.855 -19.116 1.00 2.22 C ATOM 1852 NZ LYS A 107 6.422 2.608 -20.447 1.00 2.88 N ATOM 0 H LYS A 107 9.325 6.168 -16.150 1.00 0.39 H new ATOM 0 HA LYS A 107 7.340 4.895 -14.574 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.179 5.316 -17.003 1.00 0.43 H new ATOM 0 HB3 LYS A 107 8.458 4.153 -17.290 1.00 0.43 H new ATOM 0 HG2 LYS A 107 7.078 2.340 -16.385 1.00 1.33 H new ATOM 0 HG3 LYS A 107 5.820 3.476 -15.937 1.00 1.33 H new ATOM 0 HD2 LYS A 107 5.251 2.331 -18.038 1.00 1.66 H new ATOM 0 HD3 LYS A 107 5.447 4.052 -18.303 1.00 1.66 H new ATOM 0 HE2 LYS A 107 7.718 3.700 -19.183 1.00 2.22 H new ATOM 0 HE3 LYS A 107 7.623 1.988 -18.822 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 7.172 2.420 -21.143 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 5.787 1.786 -20.391 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 5.879 3.445 -20.741 1.00 2.88 H new ATOM 1866 N ASP A 108 10.224 3.410 -14.894 1.00 0.36 N ATOM 1867 CA ASP A 108 11.078 2.353 -14.368 1.00 0.38 C ATOM 1868 C ASP A 108 11.122 2.397 -12.840 1.00 0.36 C ATOM 1869 O ASP A 108 11.167 1.356 -12.182 1.00 0.38 O ATOM 1870 CB ASP A 108 12.487 2.483 -14.948 1.00 0.47 C ATOM 1871 CG ASP A 108 13.456 1.480 -14.359 1.00 1.29 C ATOM 1872 OD1 ASP A 108 13.330 0.273 -14.659 1.00 1.26 O ATOM 1873 OD2 ASP A 108 14.350 1.897 -13.596 1.00 2.24 O ATOM 0 H ASP A 108 10.721 4.114 -15.440 1.00 0.36 H new ATOM 0 HA ASP A 108 10.661 1.391 -14.665 1.00 0.38 H new ATOM 0 HB2 ASP A 108 12.444 2.349 -16.029 1.00 0.47 H new ATOM 0 HB3 ASP A 108 12.859 3.491 -14.766 1.00 0.47 H new ATOM 1878 N ASP A 109 11.102 3.607 -12.275 1.00 0.36 N ATOM 1879 CA ASP A 109 11.005 3.777 -10.827 1.00 0.37 C ATOM 1880 C ASP A 109 9.711 3.162 -10.317 1.00 0.34 C ATOM 1881 O ASP A 109 9.696 2.457 -9.308 1.00 0.36 O ATOM 1882 CB ASP A 109 11.041 5.258 -10.438 1.00 0.39 C ATOM 1883 CG ASP A 109 12.428 5.865 -10.524 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.312 5.457 -9.741 1.00 0.94 O ATOM 1885 OD2 ASP A 109 12.637 6.775 -11.355 1.00 1.73 O ATOM 0 H ASP A 109 11.152 4.481 -12.799 1.00 0.36 H new ATOM 0 HA ASP A 109 11.861 3.275 -10.375 1.00 0.37 H new ATOM 0 HB2 ASP A 109 10.367 5.814 -11.089 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.665 5.369 -9.421 1.00 0.39 H new ATOM 1890 N LEU A 110 8.629 3.433 -11.041 1.00 0.30 N ATOM 1891 CA LEU A 110 7.305 2.943 -10.684 1.00 0.30 C ATOM 1892 C LEU A 110 7.224 1.425 -10.798 1.00 0.29 C ATOM 1893 O LEU A 110 6.615 0.761 -9.959 1.00 0.33 O ATOM 1894 CB LEU A 110 6.247 3.591 -11.577 1.00 0.30 C ATOM 1895 CG LEU A 110 6.078 5.099 -11.393 1.00 0.38 C ATOM 1896 CD1 LEU A 110 5.296 5.693 -12.551 1.00 0.82 C ATOM 1897 CD2 LEU A 110 5.365 5.382 -10.089 1.00 0.82 C ATOM 0 H LEU A 110 8.647 3.998 -11.890 1.00 0.30 H new ATOM 0 HA LEU A 110 7.117 3.213 -9.645 1.00 0.30 H new ATOM 0 HB2 LEU A 110 6.503 3.394 -12.618 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.288 3.108 -11.387 1.00 0.30 H new ATOM 0 HG LEU A 110 7.066 5.559 -11.369 1.00 0.38 H new ATOM 0 HD11 LEU A 110 5.186 6.767 -12.403 1.00 0.82 H new ATOM 0 HD12 LEU A 110 5.830 5.508 -13.483 1.00 0.82 H new ATOM 0 HD13 LEU A 110 4.310 5.230 -12.600 1.00 0.82 H new ATOM 0 HD21 LEU A 110 5.248 6.459 -9.964 1.00 0.82 H new ATOM 0 HD22 LEU A 110 4.383 4.909 -10.101 1.00 0.82 H new ATOM 0 HD23 LEU A 110 5.950 4.982 -9.260 1.00 0.82 H new ATOM 1909 N LYS A 111 7.836 0.876 -11.840 1.00 0.28 N ATOM 1910 CA LYS A 111 7.880 -0.569 -12.010 1.00 0.31 C ATOM 1911 C LYS A 111 8.584 -1.216 -10.829 1.00 0.33 C ATOM 1912 O LYS A 111 8.121 -2.216 -10.284 1.00 0.35 O ATOM 1913 CB LYS A 111 8.598 -0.949 -13.304 1.00 0.37 C ATOM 1914 CG LYS A 111 7.895 -0.474 -14.562 1.00 0.93 C ATOM 1915 CD LYS A 111 8.586 -1.001 -15.804 1.00 0.92 C ATOM 1916 CE LYS A 111 7.891 -0.537 -17.071 1.00 1.02 C ATOM 1917 NZ LYS A 111 8.427 -1.219 -18.277 1.00 1.74 N ATOM 0 H LYS A 111 8.305 1.406 -12.575 1.00 0.28 H new ATOM 0 HA LYS A 111 6.853 -0.931 -12.064 1.00 0.31 H new ATOM 0 HB2 LYS A 111 9.605 -0.533 -13.284 1.00 0.37 H new ATOM 0 HB3 LYS A 111 8.701 -2.033 -13.345 1.00 0.37 H new ATOM 0 HG2 LYS A 111 6.857 -0.807 -14.550 1.00 0.93 H new ATOM 0 HG3 LYS A 111 7.880 0.616 -14.585 1.00 0.93 H new ATOM 0 HD2 LYS A 111 9.623 -0.666 -15.814 1.00 0.92 H new ATOM 0 HD3 LYS A 111 8.604 -2.091 -15.776 1.00 0.92 H new ATOM 0 HE2 LYS A 111 6.821 -0.730 -16.990 1.00 1.02 H new ATOM 0 HE3 LYS A 111 8.013 0.541 -17.179 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 7.927 -0.875 -19.121 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 9.443 -1.015 -18.369 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 8.287 -2.246 -18.186 1.00 1.74 H new ATOM 1931 N ALA A 112 9.702 -0.626 -10.431 1.00 0.36 N ATOM 1932 CA ALA A 112 10.475 -1.127 -9.306 1.00 0.42 C ATOM 1933 C ALA A 112 9.676 -1.073 -8.010 1.00 0.43 C ATOM 1934 O ALA A 112 9.675 -2.032 -7.237 1.00 0.47 O ATOM 1935 CB ALA A 112 11.771 -0.346 -9.166 1.00 0.46 C ATOM 0 H ALA A 112 10.095 0.205 -10.874 1.00 0.36 H new ATOM 0 HA ALA A 112 10.713 -2.172 -9.504 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.339 -0.732 -8.320 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.360 -0.452 -10.077 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.545 0.707 -9.001 1.00 0.46 H new ATOM 1941 N SER A 113 8.982 0.033 -7.779 1.00 0.41 N ATOM 1942 CA SER A 113 8.230 0.207 -6.545 1.00 0.45 C ATOM 1943 C SER A 113 7.131 -0.841 -6.381 1.00 0.40 C ATOM 1944 O SER A 113 6.836 -1.253 -5.262 1.00 0.44 O ATOM 1945 CB SER A 113 7.648 1.619 -6.461 1.00 0.54 C ATOM 1946 OG SER A 113 7.094 2.035 -7.697 1.00 1.34 O ATOM 0 H SER A 113 8.924 0.819 -8.426 1.00 0.41 H new ATOM 0 HA SER A 113 8.930 0.066 -5.722 1.00 0.45 H new ATOM 0 HB2 SER A 113 6.879 1.650 -5.689 1.00 0.54 H new ATOM 0 HB3 SER A 113 8.429 2.317 -6.160 1.00 0.54 H new ATOM 0 HG SER A 113 6.953 1.254 -8.272 1.00 1.34 H new ATOM 1952 N VAL A 114 6.538 -1.304 -7.479 1.00 0.36 N ATOM 1953 CA VAL A 114 5.461 -2.276 -7.375 1.00 0.36 C ATOM 1954 C VAL A 114 6.031 -3.689 -7.345 1.00 0.35 C ATOM 1955 O VAL A 114 5.429 -4.613 -6.803 1.00 0.37 O ATOM 1956 CB VAL A 114 4.461 -2.159 -8.550 1.00 0.36 C ATOM 1957 CG1 VAL A 114 3.998 -0.725 -8.734 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.048 -2.696 -9.842 1.00 0.56 C ATOM 0 H VAL A 114 6.780 -1.027 -8.430 1.00 0.36 H new ATOM 0 HA VAL A 114 4.926 -2.067 -6.449 1.00 0.36 H new ATOM 0 HB VAL A 114 3.596 -2.771 -8.296 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.296 -0.673 -9.566 1.00 0.65 H new ATOM 0 HG12 VAL A 114 3.507 -0.382 -7.824 1.00 0.65 H new ATOM 0 HG13 VAL A 114 4.858 -0.089 -8.944 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.316 -2.596 -10.643 1.00 0.56 H new ATOM 0 HG22 VAL A 114 5.944 -2.131 -10.097 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.306 -3.747 -9.715 1.00 0.56 H new ATOM 1962 N LYS A 115 7.210 -3.840 -7.925 1.00 0.35 N ATOM 1963 CA LYS A 115 7.836 -5.142 -8.069 1.00 0.37 C ATOM 1964 C LYS A 115 8.500 -5.573 -6.769 1.00 0.35 C ATOM 1965 O LYS A 115 8.675 -6.766 -6.519 1.00 0.37 O ATOM 1966 CB LYS A 115 8.839 -5.113 -9.225 1.00 0.48 C ATOM 1967 CG LYS A 115 10.215 -4.581 -8.871 1.00 0.84 C ATOM 1968 CD LYS A 115 11.076 -4.396 -10.113 1.00 0.81 C ATOM 1969 CE LYS A 115 11.288 -5.701 -10.868 1.00 1.16 C ATOM 1970 NZ LYS A 115 11.978 -6.721 -10.038 1.00 1.72 N ATOM 0 H LYS A 115 7.757 -3.068 -8.307 1.00 0.35 H new ATOM 0 HA LYS A 115 7.067 -5.879 -8.300 1.00 0.37 H new ATOM 0 HB2 LYS A 115 8.947 -6.124 -9.617 1.00 0.48 H new ATOM 0 HB3 LYS A 115 8.426 -4.503 -10.028 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.116 -3.629 -8.350 1.00 0.84 H new ATOM 0 HG3 LYS A 115 10.707 -5.270 -8.184 1.00 0.84 H new ATOM 0 HD2 LYS A 115 10.605 -3.669 -10.774 1.00 0.81 H new ATOM 0 HD3 LYS A 115 12.043 -3.985 -9.824 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.324 -6.091 -11.194 1.00 1.16 H new ATOM 0 HE3 LYS A 115 11.874 -5.508 -11.766 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 12.238 -7.534 -10.632 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 12.837 -6.307 -9.622 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 11.343 -7.037 -9.277 1.00 1.72 H new ATOM 1984 N GLU A 116 8.863 -4.614 -5.935 1.00 0.36 N ATOM 1985 CA GLU A 116 9.417 -4.945 -4.630 1.00 0.38 C ATOM 1986 C GLU A 116 8.308 -5.326 -3.664 1.00 0.37 C ATOM 1987 O GLU A 116 8.460 -6.263 -2.893 1.00 0.38 O ATOM 1988 CB GLU A 116 10.259 -3.807 -4.061 1.00 0.43 C ATOM 1989 CG GLU A 116 11.518 -3.525 -4.851 1.00 0.80 C ATOM 1990 CD GLU A 116 12.502 -4.675 -4.803 1.00 1.30 C ATOM 1991 OE1 GLU A 116 13.295 -4.751 -3.842 1.00 1.32 O ATOM 1992 OE2 GLU A 116 12.493 -5.510 -5.732 1.00 2.27 O ATOM 0 H GLU A 116 8.787 -3.616 -6.131 1.00 0.36 H new ATOM 0 HA GLU A 116 10.079 -5.801 -4.763 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.653 -2.902 -4.026 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.532 -4.048 -3.034 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.254 -3.320 -5.888 1.00 0.80 H new ATOM 0 HG3 GLU A 116 11.995 -2.626 -4.460 1.00 0.80 H new ATOM 1999 N VAL A 117 7.180 -4.641 -3.723 1.00 0.36 N ATOM 2000 CA VAL A 117 6.045 -5.004 -2.880 1.00 0.38 C ATOM 2001 C VAL A 117 5.504 -6.372 -3.292 1.00 0.38 C ATOM 2002 O VAL A 117 4.999 -7.120 -2.460 1.00 0.43 O ATOM 2003 CB VAL A 117 4.910 -3.950 -2.913 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.477 -2.553 -2.760 1.00 0.81 C ATOM 2005 CG2 VAL A 117 4.073 -4.057 -4.174 1.00 0.78 C ATOM 0 H VAL A 117 7.022 -3.841 -4.335 1.00 0.36 H new ATOM 0 HA VAL A 117 6.410 -5.044 -1.854 1.00 0.38 H new ATOM 0 HB VAL A 117 4.250 -4.153 -2.070 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.665 -1.826 -2.786 1.00 0.81 H new ATOM 0 HG12 VAL A 117 6.003 -2.476 -1.809 1.00 0.81 H new ATOM 0 HG13 VAL A 117 6.171 -2.351 -3.576 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.289 -3.300 -4.156 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.708 -3.901 -5.046 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.620 -5.047 -4.227 1.00 0.78 H new ATOM 2009 N LEU A 118 5.645 -6.724 -4.559 1.00 0.36 N ATOM 2010 CA LEU A 118 5.312 -8.073 -4.996 1.00 0.36 C ATOM 2011 C LEU A 118 6.320 -9.046 -4.414 1.00 0.36 C ATOM 2012 O LEU A 118 5.958 -10.118 -3.950 1.00 0.38 O ATOM 2013 CB LEU A 118 5.313 -8.175 -6.526 1.00 0.41 C ATOM 2014 CG LEU A 118 4.129 -7.526 -7.243 1.00 0.49 C ATOM 2015 CD1 LEU A 118 4.455 -7.328 -8.708 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.884 -8.386 -7.120 1.00 0.88 C ATOM 0 H LEU A 118 5.983 -6.105 -5.296 1.00 0.36 H new ATOM 0 HA LEU A 118 4.310 -8.318 -4.644 1.00 0.36 H new ATOM 0 HB2 LEU A 118 6.231 -7.722 -6.900 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.344 -9.230 -6.800 1.00 0.41 H new ATOM 0 HG LEU A 118 3.938 -6.561 -6.774 1.00 0.49 H new ATOM 0 HD11 LEU A 118 3.606 -6.865 -9.210 1.00 1.21 H new ATOM 0 HD12 LEU A 118 5.328 -6.683 -8.802 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.666 -8.294 -9.167 1.00 1.21 H new ATOM 0 HD21 LEU A 118 2.056 -7.903 -7.638 1.00 0.88 H new ATOM 0 HD22 LEU A 118 3.071 -9.363 -7.566 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.630 -8.511 -6.067 1.00 0.88 H new ATOM 2028 N LYS A 119 7.581 -8.638 -4.416 1.00 0.36 N ATOM 2029 CA LYS A 119 8.665 -9.431 -3.865 1.00 0.37 C ATOM 2030 C LYS A 119 8.353 -9.825 -2.424 1.00 0.36 C ATOM 2031 O LYS A 119 8.521 -10.984 -2.036 1.00 0.38 O ATOM 2032 CB LYS A 119 9.972 -8.633 -3.955 1.00 0.39 C ATOM 2033 CG LYS A 119 11.185 -9.371 -3.441 1.00 0.43 C ATOM 2034 CD LYS A 119 11.573 -8.932 -2.032 1.00 0.67 C ATOM 2035 CE LYS A 119 12.004 -7.470 -1.987 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.217 -7.217 -2.805 1.00 0.95 N ATOM 0 H LYS A 119 7.880 -7.743 -4.802 1.00 0.36 H new ATOM 0 HA LYS A 119 8.778 -10.350 -4.440 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.144 -8.355 -4.995 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.859 -7.707 -3.392 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.984 -10.442 -3.444 1.00 0.43 H new ATOM 0 HG3 LYS A 119 12.024 -9.202 -4.116 1.00 0.43 H new ATOM 0 HD2 LYS A 119 10.728 -9.082 -1.360 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.385 -9.561 -1.667 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.189 -6.842 -2.345 1.00 0.57 H new ATOM 0 HE3 LYS A 119 12.198 -7.182 -0.954 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.414 -6.196 -2.827 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 14.028 -7.717 -2.388 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.060 -7.560 -3.774 1.00 0.95 H new ATOM 2050 N LEU A 120 7.903 -8.856 -1.630 1.00 0.36 N ATOM 2051 CA LEU A 120 7.410 -9.137 -0.301 1.00 0.37 C ATOM 2052 C LEU A 120 6.154 -10.007 -0.346 1.00 0.36 C ATOM 2053 O LEU A 120 6.062 -10.992 0.390 1.00 0.38 O ATOM 2054 CB LEU A 120 7.088 -7.841 0.450 1.00 0.39 C ATOM 2055 CG LEU A 120 8.269 -7.029 0.987 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.114 -7.863 1.914 1.00 1.06 C ATOM 2057 CD2 LEU A 120 9.124 -6.453 -0.122 1.00 0.99 C ATOM 0 H LEU A 120 7.873 -7.871 -1.892 1.00 0.36 H new ATOM 0 HA LEU A 120 8.199 -9.675 0.223 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.513 -7.199 -0.217 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.440 -8.090 1.290 1.00 0.39 H new ATOM 0 HG LEU A 120 7.848 -6.192 1.544 1.00 0.42 H new ATOM 0 HD11 LEU A 120 9.947 -7.265 2.283 1.00 1.06 H new ATOM 0 HD12 LEU A 120 8.508 -8.199 2.755 1.00 1.06 H new ATOM 0 HD13 LEU A 120 9.499 -8.729 1.375 1.00 1.06 H new ATOM 0 HD21 LEU A 120 9.948 -5.886 0.311 1.00 0.99 H new ATOM 0 HD22 LEU A 120 9.522 -7.263 -0.732 1.00 0.99 H new ATOM 0 HD23 LEU A 120 8.518 -5.794 -0.744 1.00 0.99 H new ATOM 2069 N TYR A 121 5.192 -9.662 -1.204 1.00 0.35 N ATOM 2070 CA TYR A 121 3.878 -10.284 -1.105 1.00 0.36 C ATOM 2071 C TYR A 121 3.885 -11.743 -1.576 1.00 0.38 C ATOM 2072 O TYR A 121 3.162 -12.576 -1.025 1.00 0.41 O ATOM 2073 CB TYR A 121 2.803 -9.445 -1.818 1.00 0.37 C ATOM 2074 CG TYR A 121 1.491 -10.165 -2.051 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.559 -10.300 -1.031 1.00 0.84 C ATOM 2076 CD2 TYR A 121 1.191 -10.721 -3.292 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -0.634 -10.967 -1.236 1.00 1.13 C ATOM 2078 CE2 TYR A 121 -0.003 -11.391 -3.500 1.00 1.05 C ATOM 2079 CZ TYR A 121 -0.910 -11.510 -2.469 1.00 1.23 C ATOM 2080 OH TYR A 121 -2.100 -12.172 -2.672 1.00 1.54 O ATOM 0 H TYR A 121 5.295 -8.976 -1.952 1.00 0.35 H new ATOM 0 HA TYR A 121 3.616 -10.310 -0.047 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.610 -8.549 -1.228 1.00 0.37 H new ATOM 0 HB3 TYR A 121 3.197 -9.115 -2.779 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.770 -9.876 -0.060 1.00 0.84 H new ATOM 0 HD2 TYR A 121 1.899 -10.629 -4.103 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.347 -11.061 -0.431 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -0.223 -11.819 -4.467 1.00 1.05 H new ATOM 0 HH TYR A 121 -2.141 -12.495 -3.596 1.00 1.54 H new ATOM 2090 N LYS A 122 4.711 -12.062 -2.567 1.00 0.40 N ATOM 2091 CA LYS A 122 4.807 -13.436 -3.061 1.00 0.45 C ATOM 2092 C LYS A 122 5.337 -14.364 -1.968 1.00 0.43 C ATOM 2093 O LYS A 122 4.961 -15.533 -1.889 1.00 0.46 O ATOM 2094 CB LYS A 122 5.731 -13.546 -4.285 1.00 0.52 C ATOM 2095 CG LYS A 122 5.459 -12.544 -5.399 1.00 0.60 C ATOM 2096 CD LYS A 122 5.434 -13.219 -6.764 1.00 1.21 C ATOM 2097 CE LYS A 122 5.597 -12.214 -7.897 1.00 1.27 C ATOM 2098 NZ LYS A 122 6.983 -11.678 -7.965 1.00 1.98 N ATOM 0 H LYS A 122 5.320 -11.396 -3.042 1.00 0.40 H new ATOM 0 HA LYS A 122 3.800 -13.733 -3.354 1.00 0.45 H new ATOM 0 HB2 LYS A 122 6.762 -13.424 -3.953 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.645 -14.552 -4.695 1.00 0.52 H new ATOM 0 HG2 LYS A 122 4.505 -12.049 -5.219 1.00 0.60 H new ATOM 0 HG3 LYS A 122 6.226 -11.770 -5.389 1.00 0.60 H new ATOM 0 HD2 LYS A 122 6.232 -13.959 -6.818 1.00 1.21 H new ATOM 0 HD3 LYS A 122 4.493 -13.755 -6.887 1.00 1.21 H new ATOM 0 HE2 LYS A 122 5.345 -12.690 -8.844 1.00 1.27 H new ATOM 0 HE3 LYS A 122 4.896 -11.391 -7.757 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 7.133 -11.219 -8.886 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 7.124 -10.982 -7.205 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 7.662 -12.457 -7.851 1.00 1.98 H new ATOM 2112 N ALA A 123 6.197 -13.823 -1.113 1.00 0.42 N ATOM 2113 CA ALA A 123 6.924 -14.624 -0.136 1.00 0.43 C ATOM 2114 C ALA A 123 6.154 -14.830 1.167 1.00 0.43 C ATOM 2115 O ALA A 123 6.624 -15.546 2.050 1.00 0.70 O ATOM 2116 CB ALA A 123 8.266 -13.977 0.164 1.00 0.49 C ATOM 0 H ALA A 123 6.409 -12.826 -1.077 1.00 0.42 H new ATOM 0 HA ALA A 123 7.064 -15.609 -0.582 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.805 -14.580 0.895 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.851 -13.910 -0.753 1.00 0.49 H new ATOM 0 HB3 ALA A 123 8.106 -12.977 0.566 1.00 0.49 H new ATOM 2122 N MET A 124 4.990 -14.211 1.310 1.00 0.44 N ATOM 2123 CA MET A 124 4.231 -14.356 2.549 1.00 0.42 C ATOM 2124 C MET A 124 3.556 -15.721 2.611 1.00 0.42 C ATOM 2125 O MET A 124 3.311 -16.343 1.576 1.00 0.42 O ATOM 2126 CB MET A 124 3.172 -13.269 2.689 1.00 0.41 C ATOM 2127 CG MET A 124 3.732 -11.865 2.778 1.00 0.45 C ATOM 2128 SD MET A 124 2.487 -10.663 3.280 1.00 0.50 S ATOM 2129 CE MET A 124 1.133 -11.092 2.194 1.00 0.46 C ATOM 0 H MET A 124 4.557 -13.617 0.603 1.00 0.44 H new ATOM 0 HA MET A 124 4.940 -14.261 3.371 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.495 -13.325 1.836 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.578 -13.469 3.581 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.557 -11.850 3.490 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.142 -11.578 1.810 1.00 0.45 H new ATOM 0 HE1 MET A 124 0.531 -10.205 1.995 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.528 -11.480 1.255 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.513 -11.853 2.668 1.00 0.46 H new ATOM 2139 N SER A 125 3.269 -16.185 3.819 1.00 0.47 N ATOM 2140 CA SER A 125 2.509 -17.413 4.004 1.00 0.54 C ATOM 2141 C SER A 125 1.122 -17.275 3.377 1.00 0.58 C ATOM 2142 O SER A 125 0.558 -16.179 3.370 1.00 0.92 O ATOM 2143 CB SER A 125 2.386 -17.739 5.495 1.00 0.62 C ATOM 2144 OG SER A 125 3.657 -17.704 6.130 1.00 1.18 O ATOM 0 H SER A 125 3.551 -15.729 4.687 1.00 0.47 H new ATOM 0 HA SER A 125 3.036 -18.229 3.510 1.00 0.54 H new ATOM 0 HB2 SER A 125 1.717 -17.024 5.973 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.940 -18.726 5.620 1.00 0.62 H new ATOM 0 HG SER A 125 3.880 -16.779 6.365 1.00 1.18 H new ATOM 2150 N ASP A 126 0.577 -18.365 2.846 1.00 0.44 N ATOM 2151 CA ASP A 126 -0.652 -18.298 2.048 1.00 0.43 C ATOM 2152 C ASP A 126 -1.797 -17.624 2.804 1.00 0.39 C ATOM 2153 O ASP A 126 -2.456 -16.727 2.266 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.077 -19.689 1.584 1.00 0.47 C ATOM 2155 CG ASP A 126 -2.421 -19.673 0.884 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -2.480 -19.244 -0.288 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -3.422 -20.090 1.500 1.00 1.81 O ATOM 0 H ASP A 126 0.962 -19.304 2.951 1.00 0.44 H new ATOM 0 HA ASP A 126 -0.427 -17.685 1.175 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -0.322 -20.091 0.908 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -1.125 -20.358 2.443 1.00 0.47 H new ATOM 2162 N ALA A 127 -2.014 -18.034 4.052 1.00 0.38 N ATOM 2163 CA ALA A 127 -3.067 -17.452 4.882 1.00 0.37 C ATOM 2164 C ALA A 127 -2.873 -15.949 5.030 1.00 0.33 C ATOM 2165 O ALA A 127 -3.837 -15.189 5.104 1.00 0.34 O ATOM 2166 CB ALA A 127 -3.090 -18.115 6.249 1.00 0.42 C ATOM 0 H ALA A 127 -1.474 -18.768 4.511 1.00 0.38 H new ATOM 0 HA ALA A 127 -4.023 -17.627 4.389 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.879 -17.671 6.856 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.279 -19.182 6.133 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -2.128 -17.968 6.741 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.615 -15.536 5.047 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.291 -14.132 5.163 1.00 0.31 C ATOM 2174 C GLY A 128 -1.599 -13.382 3.889 1.00 0.29 C ATOM 2175 O GLY A 128 -2.086 -12.255 3.925 1.00 0.30 O ATOM 0 H GLY A 128 -0.807 -16.155 4.982 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.854 -13.695 5.988 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.234 -14.021 5.405 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.335 -14.024 2.759 1.00 0.32 N ATOM 2180 CA LYS A 129 -1.597 -13.421 1.462 1.00 0.39 C ATOM 2181 C LYS A 129 -3.094 -13.222 1.282 1.00 0.35 C ATOM 2182 O LYS A 129 -3.547 -12.157 0.865 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.049 -14.303 0.338 1.00 0.56 C ATOM 2184 CG LYS A 129 0.441 -14.584 0.454 1.00 0.58 C ATOM 2185 CD LYS A 129 0.919 -15.533 -0.633 1.00 0.59 C ATOM 2186 CE LYS A 129 1.055 -14.841 -1.977 1.00 0.94 C ATOM 2187 NZ LYS A 129 1.530 -15.777 -3.033 1.00 1.32 N ATOM 0 H LYS A 129 -0.939 -14.963 2.716 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.096 -12.454 1.418 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -1.589 -15.250 0.335 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -1.245 -13.820 -0.619 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.994 -13.647 0.389 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.656 -15.013 1.433 1.00 0.58 H new ATOM 0 HD2 LYS A 129 1.881 -15.957 -0.346 1.00 0.59 H new ATOM 0 HD3 LYS A 129 0.218 -16.363 -0.723 1.00 0.59 H new ATOM 0 HE2 LYS A 129 0.092 -14.421 -2.269 1.00 0.94 H new ATOM 0 HE3 LYS A 129 1.752 -14.008 -1.888 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 1.611 -15.269 -3.937 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 2.460 -16.158 -2.766 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 0.852 -16.559 -3.135 1.00 1.32 H new ATOM 2201 N ALA A 130 -3.855 -14.258 1.616 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.304 -14.220 1.510 1.00 0.37 C ATOM 2203 C ALA A 130 -5.908 -13.212 2.481 1.00 0.33 C ATOM 2204 O ALA A 130 -6.805 -12.458 2.114 1.00 0.38 O ATOM 2205 CB ALA A 130 -5.885 -15.604 1.756 1.00 0.42 C ATOM 0 H ALA A 130 -3.485 -15.142 1.966 1.00 0.35 H new ATOM 0 HA ALA A 130 -5.558 -13.901 0.499 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -6.971 -15.563 1.674 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -5.491 -16.301 1.016 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.609 -15.942 2.755 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.403 -13.188 3.714 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.938 -12.297 4.748 1.00 0.29 C ATOM 2213 C ASP A 131 -5.704 -10.836 4.365 1.00 0.27 C ATOM 2214 O ASP A 131 -6.496 -9.956 4.705 1.00 0.30 O ATOM 2215 CB ASP A 131 -5.307 -12.612 6.110 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.992 -11.902 7.267 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -7.239 -11.941 7.345 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -5.290 -11.264 8.084 1.00 0.45 O ATOM 0 H ASP A 131 -4.626 -13.773 4.023 1.00 0.29 H new ATOM 0 HA ASP A 131 -7.013 -12.462 4.826 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -5.344 -13.688 6.280 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -4.255 -12.328 6.090 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.624 -10.599 3.623 1.00 0.24 N ATOM 2224 CA PHE A 132 -4.321 -9.278 3.074 1.00 0.22 C ATOM 2225 C PHE A 132 -5.459 -8.798 2.175 1.00 0.23 C ATOM 2226 O PHE A 132 -5.700 -7.596 2.051 1.00 0.25 O ATOM 2227 CB PHE A 132 -3.007 -9.332 2.281 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.568 -8.013 1.706 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.972 -7.054 2.509 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.746 -7.737 0.360 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.564 -5.844 1.983 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.340 -6.529 -0.171 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.749 -5.582 0.640 1.00 0.36 C ATOM 0 H PHE A 132 -3.936 -11.314 3.386 1.00 0.24 H new ATOM 0 HA PHE A 132 -4.212 -8.573 3.898 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -2.219 -9.709 2.933 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -3.118 -10.049 1.468 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.825 -7.255 3.560 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -3.207 -8.474 -0.280 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -1.102 -5.105 2.620 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.485 -6.325 -1.222 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.431 -4.637 0.225 1.00 0.36 H new ATOM 2243 N GLY A 133 -6.176 -9.744 1.579 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.261 -9.410 0.681 1.00 0.24 C ATOM 2245 C GLY A 133 -8.445 -8.779 1.386 1.00 0.23 C ATOM 2246 O GLY A 133 -9.234 -8.071 0.764 1.00 0.27 O ATOM 0 H GLY A 133 -6.022 -10.744 1.705 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.894 -8.725 -0.083 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.591 -10.313 0.168 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.581 -9.037 2.681 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.681 -8.484 3.444 1.00 0.29 C ATOM 2252 C LYS A 134 -9.411 -7.027 3.804 1.00 0.30 C ATOM 2253 O LYS A 134 -10.279 -6.166 3.653 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.916 -9.301 4.717 1.00 0.34 C ATOM 2255 CG LYS A 134 -10.580 -10.658 4.495 1.00 0.63 C ATOM 2256 CD LYS A 134 -9.603 -11.723 4.014 1.00 1.29 C ATOM 2257 CE LYS A 134 -9.757 -12.011 2.526 1.00 1.61 C ATOM 2258 NZ LYS A 134 -11.106 -12.536 2.191 1.00 2.43 N ATOM 0 H LYS A 134 -7.943 -9.624 3.219 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.577 -8.530 2.825 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.958 -9.458 5.213 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.535 -8.717 5.398 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -11.041 -10.988 5.426 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -11.381 -10.550 3.764 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -8.583 -11.396 4.216 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -9.761 -12.642 4.579 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -9.574 -11.097 1.960 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -9.001 -12.733 2.218 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -11.047 -13.126 1.337 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -11.462 -13.108 2.983 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -11.755 -11.742 2.018 1.00 2.43 H new ATOM 2272 N GLN A 135 -8.194 -6.763 4.260 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.817 -5.438 4.737 1.00 0.31 C ATOM 2274 C GLN A 135 -7.429 -4.508 3.595 1.00 0.30 C ATOM 2275 O GLN A 135 -7.879 -3.365 3.540 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.671 -5.549 5.739 1.00 0.33 C ATOM 2277 CG GLN A 135 -7.076 -6.225 7.038 1.00 0.51 C ATOM 2278 CD GLN A 135 -8.358 -5.656 7.607 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -8.348 -4.650 8.310 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -9.472 -6.309 7.323 1.00 0.75 N ATOM 0 H GLN A 135 -7.446 -7.454 4.310 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.689 -5.005 5.228 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.853 -6.109 5.285 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -6.291 -4.551 5.959 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -7.201 -7.294 6.865 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -6.275 -6.112 7.769 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -9.439 -7.142 6.735 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -10.364 -5.980 7.692 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.608 -4.994 2.680 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.195 -4.191 1.537 1.00 0.26 C ATOM 2291 C PHE A 136 -6.575 -4.895 0.236 1.00 0.23 C ATOM 2292 O PHE A 136 -5.716 -5.405 -0.488 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.690 -3.891 1.594 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.344 -2.772 2.544 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.697 -1.469 2.233 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.682 -3.013 3.744 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -4.400 -0.429 3.090 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.387 -1.974 4.606 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.744 -0.683 4.278 1.00 0.58 C ATOM 0 H PHE A 136 -6.215 -5.935 2.704 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.719 -3.236 1.572 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.157 -4.793 1.895 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.339 -3.633 0.595 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -5.212 -1.264 1.306 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.396 -4.021 4.004 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -4.680 0.582 2.832 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.877 -2.173 5.537 1.00 0.37 H new ATOM 0 HZ PHE A 136 -3.510 0.129 4.950 1.00 0.58 H new ATOM 2309 N PRO A 137 -7.882 -4.897 -0.088 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.426 -5.672 -1.208 1.00 0.30 C ATOM 2311 C PRO A 137 -7.983 -5.144 -2.563 1.00 0.29 C ATOM 2312 O PRO A 137 -7.937 -5.889 -3.537 1.00 0.30 O ATOM 2313 CB PRO A 137 -9.939 -5.519 -1.050 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.117 -4.239 -0.315 1.00 0.63 C ATOM 2315 CD PRO A 137 -8.935 -4.127 0.604 1.00 0.34 C ATOM 0 HA PRO A 137 -8.080 -6.705 -1.182 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.437 -5.491 -2.019 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.365 -6.356 -0.496 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -10.158 -3.395 -1.004 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -11.051 -4.237 0.247 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -8.640 -3.088 0.753 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -9.152 -4.541 1.589 1.00 0.34 H new ATOM 2323 N PHE A 138 -7.661 -3.858 -2.622 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.224 -3.244 -3.865 1.00 0.36 C ATOM 2325 C PHE A 138 -5.863 -3.762 -4.282 1.00 0.35 C ATOM 2326 O PHE A 138 -5.682 -4.195 -5.416 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.197 -1.726 -3.746 1.00 0.43 C ATOM 2328 CG PHE A 138 -8.435 -1.089 -4.293 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -8.546 -0.796 -5.640 1.00 1.56 C ATOM 2330 CD2 PHE A 138 -9.486 -0.777 -3.447 1.00 1.21 C ATOM 2331 CE1 PHE A 138 -9.689 -0.200 -6.137 1.00 2.23 C ATOM 2332 CE2 PHE A 138 -10.630 -0.182 -3.938 1.00 1.88 C ATOM 2333 CZ PHE A 138 -10.730 0.074 -5.326 1.00 2.31 C ATOM 0 H PHE A 138 -7.695 -3.223 -1.825 1.00 0.32 H new ATOM 0 HA PHE A 138 -7.945 -3.516 -4.636 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -7.081 -1.448 -2.698 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -6.327 -1.338 -4.276 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -7.732 -1.035 -6.309 1.00 1.56 H new ATOM 0 HD2 PHE A 138 -9.410 -1.001 -2.393 1.00 1.21 H new ATOM 0 HE1 PHE A 138 -9.749 0.049 -7.186 1.00 2.23 H new ATOM 0 HE2 PHE A 138 -11.438 0.085 -3.272 1.00 1.88 H new ATOM 0 HZ PHE A 138 -11.640 0.489 -5.735 1.00 2.31 H new ATOM 2343 N LEU A 139 -4.914 -3.731 -3.363 1.00 0.35 N ATOM 2344 CA LEU A 139 -3.586 -4.239 -3.651 1.00 0.36 C ATOM 2345 C LEU A 139 -3.649 -5.744 -3.868 1.00 0.33 C ATOM 2346 O LEU A 139 -3.075 -6.256 -4.822 1.00 0.35 O ATOM 2347 CB LEU A 139 -2.590 -3.894 -2.533 1.00 0.40 C ATOM 2348 CG LEU A 139 -2.173 -2.418 -2.421 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -1.714 -1.879 -3.767 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -3.300 -1.566 -1.855 1.00 0.86 C ATOM 0 H LEU A 139 -5.037 -3.363 -2.420 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.228 -3.758 -4.561 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.025 -4.199 -1.581 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -1.691 -4.493 -2.679 1.00 0.40 H new ATOM 0 HG LEU A 139 -1.333 -2.364 -1.728 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.425 -0.834 -3.661 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -0.860 -2.458 -4.119 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -2.528 -1.959 -4.488 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -2.973 -0.528 -1.788 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -4.169 -1.632 -2.509 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -3.565 -1.927 -0.861 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.383 -6.440 -3.006 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.565 -7.883 -3.145 1.00 0.28 C ATOM 2364 C ALA A 140 -5.120 -8.224 -4.525 1.00 0.28 C ATOM 2365 O ALA A 140 -4.626 -9.124 -5.202 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.491 -8.396 -2.061 1.00 0.25 C ATOM 0 H ALA A 140 -4.862 -6.030 -2.204 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.595 -8.369 -3.038 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.621 -9.472 -2.173 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.060 -8.182 -1.083 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.459 -7.903 -2.146 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.142 -7.475 -4.926 1.00 0.26 N ATOM 2373 CA LYS A 141 -6.733 -7.573 -6.253 1.00 0.27 C ATOM 2374 C LYS A 141 -5.665 -7.573 -7.340 1.00 0.29 C ATOM 2375 O LYS A 141 -5.454 -8.570 -8.035 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.654 -6.371 -6.479 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.497 -6.461 -7.741 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.455 -7.650 -7.722 1.00 1.15 C ATOM 2379 CE LYS A 141 -10.501 -7.543 -6.614 1.00 1.76 C ATOM 2380 NZ LYS A 141 -10.010 -8.056 -5.302 1.00 2.58 N ATOM 0 H LYS A 141 -6.587 -6.776 -4.331 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.288 -8.509 -6.308 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.316 -6.268 -5.619 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.048 -5.466 -6.524 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -9.068 -5.540 -7.859 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -7.841 -6.542 -8.607 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -9.958 -7.722 -8.686 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -8.885 -8.570 -7.591 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -10.800 -6.501 -6.502 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -11.391 -8.100 -6.906 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -10.741 -8.655 -4.868 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -9.146 -8.616 -5.450 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -9.800 -7.255 -4.673 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.000 -6.431 -7.474 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.032 -6.205 -8.530 1.00 0.36 C ATOM 2396 C VAL A 142 -2.822 -7.130 -8.431 1.00 0.37 C ATOM 2397 O VAL A 142 -2.132 -7.355 -9.430 1.00 0.44 O ATOM 2398 CB VAL A 142 -3.566 -4.737 -8.533 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -4.749 -3.807 -8.345 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.522 -4.487 -7.472 1.00 0.48 C ATOM 0 H VAL A 142 -5.121 -5.635 -6.848 1.00 0.31 H new ATOM 0 HA VAL A 142 -4.539 -6.432 -9.468 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.109 -4.533 -9.501 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.403 -2.773 -8.349 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -5.461 -3.955 -9.157 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.234 -4.023 -7.393 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.216 -3.441 -7.502 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -2.939 -4.715 -6.491 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -1.657 -5.124 -7.656 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.547 -7.648 -7.240 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.414 -8.553 -7.074 1.00 0.36 C ATOM 2406 C PHE A 143 -1.755 -9.946 -7.592 1.00 0.40 C ATOM 2407 O PHE A 143 -0.952 -10.571 -8.289 1.00 0.47 O ATOM 2408 CB PHE A 143 -0.941 -8.649 -5.616 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.370 -7.378 -5.043 1.00 0.34 C ATOM 2410 CD1 PHE A 143 0.174 -6.402 -5.860 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.378 -7.170 -3.673 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.697 -5.242 -5.323 1.00 0.47 C ATOM 2413 CE2 PHE A 143 0.143 -6.012 -3.132 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.681 -5.047 -3.958 1.00 0.39 C ATOM 0 H PHE A 143 -3.080 -7.463 -6.390 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.597 -8.132 -7.660 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -1.782 -8.962 -4.998 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.186 -9.432 -5.546 1.00 0.36 H new ATOM 0 HD1 PHE A 143 0.190 -6.549 -6.930 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -0.797 -7.923 -3.021 1.00 0.58 H new ATOM 0 HE1 PHE A 143 1.118 -4.488 -5.972 1.00 0.47 H new ATOM 0 HE2 PHE A 143 0.129 -5.861 -2.063 1.00 0.62 H new ATOM 0 HZ PHE A 143 1.089 -4.140 -3.536 1.00 0.39 H new ATOM 2424 N GLU A 144 -2.948 -10.437 -7.250 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.354 -11.777 -7.665 1.00 0.45 C ATOM 2426 C GLU A 144 -3.629 -11.801 -9.162 1.00 0.45 C ATOM 2427 O GLU A 144 -3.374 -12.798 -9.841 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.603 -12.242 -6.919 1.00 0.47 C ATOM 2429 CG GLU A 144 -4.448 -12.300 -5.412 1.00 0.60 C ATOM 2430 CD GLU A 144 -5.680 -12.860 -4.737 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -6.662 -12.110 -4.561 1.00 2.58 O ATOM 2432 OE2 GLU A 144 -5.675 -14.060 -4.391 1.00 1.55 O ATOM 0 H GLU A 144 -3.640 -9.934 -6.695 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.535 -12.456 -7.425 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.427 -11.571 -7.162 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -4.881 -13.232 -7.282 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.585 -12.916 -5.160 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -4.248 -11.299 -5.029 1.00 0.60 H new ATOM 2439 N SER A 145 -4.167 -10.699 -9.657 1.00 0.43 N ATOM 2440 CA SER A 145 -4.467 -10.553 -11.069 1.00 0.49 C ATOM 2441 C SER A 145 -3.217 -10.136 -11.835 1.00 0.57 C ATOM 2442 O SER A 145 -2.211 -9.746 -11.238 1.00 1.32 O ATOM 2443 CB SER A 145 -5.562 -9.499 -11.250 1.00 0.50 C ATOM 2444 OG SER A 145 -6.719 -9.823 -10.493 1.00 1.29 O ATOM 0 H SER A 145 -4.407 -9.884 -9.093 1.00 0.43 H new ATOM 0 HA SER A 145 -4.813 -11.510 -11.460 1.00 0.49 H new ATOM 0 HB2 SER A 145 -5.185 -8.523 -10.943 1.00 0.50 H new ATOM 0 HB3 SER A 145 -5.825 -9.422 -12.305 1.00 0.50 H new ATOM 0 HG SER A 145 -6.601 -9.518 -9.569 1.00 1.29 H new ATOM 2450 N GLY A 146 -3.284 -10.214 -13.155 1.00 0.79 N ATOM 2451 CA GLY A 146 -2.183 -9.768 -13.983 1.00 0.78 C ATOM 2452 C GLY A 146 -2.169 -8.259 -14.123 1.00 0.70 C ATOM 2453 O GLY A 146 -2.193 -7.724 -15.233 1.00 1.09 O ATOM 0 H GLY A 146 -4.085 -10.580 -13.670 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -1.241 -10.103 -13.549 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -2.260 -10.225 -14.969 1.00 0.78 H new ATOM 2457 N LYS A 147 -2.147 -7.577 -12.988 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.149 -6.127 -12.964 1.00 0.48 C ATOM 2459 C LYS A 147 -0.786 -5.605 -12.521 1.00 0.40 C ATOM 2460 O LYS A 147 0.017 -5.171 -13.344 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.252 -5.620 -12.029 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.261 -4.112 -11.835 1.00 0.83 C ATOM 2463 CD LYS A 147 -3.730 -3.364 -13.068 1.00 1.15 C ATOM 2464 CE LYS A 147 -5.224 -3.524 -13.263 1.00 1.55 C ATOM 2465 NZ LYS A 147 -5.766 -2.516 -14.206 1.00 1.98 N ATOM 0 H LYS A 147 -2.127 -8.011 -12.065 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.348 -5.755 -13.969 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.219 -5.930 -12.425 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.137 -6.099 -11.057 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -3.910 -3.862 -10.995 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -2.257 -3.778 -11.573 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -3.483 -2.307 -12.972 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -3.203 -3.736 -13.946 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -5.437 -4.525 -13.639 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -5.728 -3.431 -12.301 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -6.673 -2.852 -14.590 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -5.914 -1.616 -13.705 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -5.092 -2.372 -14.985 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.515 -5.686 -11.223 1.00 0.33 N ATOM 2480 CA ALA A 148 0.735 -5.177 -10.676 1.00 0.29 C ATOM 2481 C ALA A 148 1.905 -6.023 -11.144 1.00 0.31 C ATOM 2482 O ALA A 148 2.959 -5.498 -11.495 1.00 0.34 O ATOM 2483 CB ALA A 148 0.680 -5.147 -9.161 1.00 0.33 C ATOM 0 H ALA A 148 -1.143 -6.098 -10.533 1.00 0.33 H new ATOM 0 HA ALA A 148 0.877 -4.159 -11.038 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.623 -4.764 -8.770 1.00 0.33 H new ATOM 0 HB2 ALA A 148 -0.136 -4.500 -8.839 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.514 -6.156 -8.783 1.00 0.33 H new ATOM 2489 N ALA A 149 1.703 -7.337 -11.159 1.00 0.35 N ATOM 2490 CA ALA A 149 2.734 -8.267 -11.594 1.00 0.41 C ATOM 2491 C ALA A 149 3.174 -7.983 -13.032 1.00 0.43 C ATOM 2492 O ALA A 149 4.330 -8.205 -13.389 1.00 0.51 O ATOM 2493 CB ALA A 149 2.238 -9.699 -11.467 1.00 0.48 C ATOM 0 H ALA A 149 0.830 -7.781 -10.873 1.00 0.35 H new ATOM 0 HA ALA A 149 3.601 -8.131 -10.948 1.00 0.41 H new ATOM 0 HB1 ALA A 149 3.019 -10.385 -11.796 1.00 0.48 H new ATOM 0 HB2 ALA A 149 1.987 -9.906 -10.427 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.352 -9.834 -12.088 1.00 0.48 H new ATOM 2499 N LYS A 150 2.242 -7.485 -13.845 1.00 0.41 N ATOM 2500 CA LYS A 150 2.525 -7.168 -15.242 1.00 0.46 C ATOM 2501 C LYS A 150 3.114 -5.769 -15.379 1.00 0.45 C ATOM 2502 O LYS A 150 4.001 -5.542 -16.201 1.00 0.59 O ATOM 2503 CB LYS A 150 1.256 -7.292 -16.085 1.00 0.53 C ATOM 2504 CG LYS A 150 0.752 -8.722 -16.226 1.00 1.16 C ATOM 2505 CD LYS A 150 1.681 -9.576 -17.079 1.00 1.45 C ATOM 2506 CE LYS A 150 1.686 -9.122 -18.532 1.00 1.96 C ATOM 2507 NZ LYS A 150 2.555 -9.980 -19.380 1.00 2.82 N ATOM 0 H LYS A 150 1.282 -7.293 -13.558 1.00 0.41 H new ATOM 0 HA LYS A 150 3.262 -7.884 -15.606 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.472 -6.682 -15.637 1.00 0.53 H new ATOM 0 HB3 LYS A 150 1.448 -6.884 -17.077 1.00 0.53 H new ATOM 0 HG2 LYS A 150 0.654 -9.170 -15.237 1.00 1.16 H new ATOM 0 HG3 LYS A 150 -0.243 -8.713 -16.672 1.00 1.16 H new ATOM 0 HD2 LYS A 150 2.693 -9.525 -16.678 1.00 1.45 H new ATOM 0 HD3 LYS A 150 1.369 -10.619 -17.025 1.00 1.45 H new ATOM 0 HE2 LYS A 150 0.668 -9.140 -18.921 1.00 1.96 H new ATOM 0 HE3 LYS A 150 2.030 -8.089 -18.588 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 2.530 -9.637 -20.361 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 3.532 -9.943 -19.025 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 2.212 -10.961 -19.348 1.00 2.82 H new ATOM 2521 N PHE A 151 2.612 -4.833 -14.577 1.00 0.35 N ATOM 2522 CA PHE A 151 3.172 -3.484 -14.517 1.00 0.36 C ATOM 2523 C PHE A 151 4.642 -3.553 -14.123 1.00 0.40 C ATOM 2524 O PHE A 151 5.482 -2.832 -14.665 1.00 0.46 O ATOM 2525 CB PHE A 151 2.400 -2.625 -13.508 1.00 0.34 C ATOM 2526 CG PHE A 151 2.806 -1.174 -13.513 1.00 0.33 C ATOM 2527 CD1 PHE A 151 2.228 -0.279 -14.399 1.00 0.46 C ATOM 2528 CD2 PHE A 151 3.765 -0.707 -12.630 1.00 0.43 C ATOM 2529 CE1 PHE A 151 2.597 1.052 -14.403 1.00 0.49 C ATOM 2530 CE2 PHE A 151 4.139 0.623 -12.628 1.00 0.44 C ATOM 2531 CZ PHE A 151 3.559 1.503 -13.531 1.00 0.39 C ATOM 0 H PHE A 151 1.816 -4.984 -13.958 1.00 0.35 H new ATOM 0 HA PHE A 151 3.084 -3.025 -15.502 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.334 -2.696 -13.724 1.00 0.34 H new ATOM 0 HB3 PHE A 151 2.550 -3.032 -12.508 1.00 0.34 H new ATOM 0 HD1 PHE A 151 1.479 -0.627 -15.095 1.00 0.46 H new ATOM 0 HD2 PHE A 151 4.227 -1.391 -11.934 1.00 0.43 H new ATOM 0 HE1 PHE A 151 2.129 1.739 -15.092 1.00 0.49 H new ATOM 0 HE2 PHE A 151 4.880 0.977 -11.926 1.00 0.44 H new ATOM 0 HZ PHE A 151 3.863 2.539 -13.548 1.00 0.39 H new ATOM 2541 N ALA A 152 4.940 -4.445 -13.188 1.00 0.39 N ATOM 2542 CA ALA A 152 6.300 -4.660 -12.724 1.00 0.44 C ATOM 2543 C ALA A 152 7.176 -5.232 -13.836 1.00 0.52 C ATOM 2544 O ALA A 152 8.375 -4.952 -13.895 1.00 0.59 O ATOM 2545 CB ALA A 152 6.284 -5.599 -11.532 1.00 0.44 C ATOM 0 H ALA A 152 4.246 -5.038 -12.732 1.00 0.39 H new ATOM 0 HA ALA A 152 6.723 -3.701 -12.426 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.304 -5.761 -11.183 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.692 -5.159 -10.730 1.00 0.44 H new ATOM 0 HB3 ALA A 152 5.845 -6.553 -11.826 1.00 0.44 H new ATOM 2551 N GLY A 153 6.567 -6.017 -14.722 1.00 0.65 N ATOM 2552 CA GLY A 153 7.312 -6.653 -15.790 1.00 0.84 C ATOM 2553 C GLY A 153 8.323 -7.641 -15.254 1.00 1.06 C ATOM 2554 O GLY A 153 9.528 -7.481 -15.458 1.00 1.62 O ATOM 0 H GLY A 153 5.568 -6.223 -14.717 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.622 -7.166 -16.460 1.00 0.84 H new ATOM 0 HA3 GLY A 153 7.824 -5.893 -16.380 1.00 0.84 H new