USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1150 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 LYS NZ :NH3+ 154:sc= 1.36 (180deg=-0.507) USER MOD Set 1.2: A 100 TYR OH : rot -119:sc= -0.379 USER MOD Set 2.1: A 23 GLN : amide:sc= 0.867 K(o=1.6,f=0) USER MOD Set 2.2: A 24 ASN : amide:sc= 0.765 K(o=1.6,f=-0.44) USER MOD Single : A 1 PHE N :NH3+ 138:sc= 0.00221 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= -0.0786 (180deg=-0.394) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.505 USER MOD Single : A 14 MET CE :methyl -157:sc= -0.0697 (180deg=-0.863) USER MOD Single : A 26 SER OG : rot 15:sc= 1.2 USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= 0.286 (180deg=-1.64!) USER MOD Single : A 31 THR OG1 : rot 62:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 90:sc= -1.32 USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.0503 (180deg=-0.367) USER MOD Single : A 44 ASN : amide:sc= -2.1 K(o=-2.1,f=-7.4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= 0.748 (180deg=0.588) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= -0.0337 (180deg=-0.235) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0471) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.36) USER MOD Single : A 69 MET CE :methyl -132:sc= -2.79! (180deg=-3.53!) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.17) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -121:sc= 0.755 (180deg=0.629) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -76:sc= 1.1 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 103 ASN : amide:sc= -0.0325 K(o=-0.033,f=-3.7!) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 107 LYS NZ :NH3+ -143:sc= -1.22 (180deg=-3.1!) USER MOD Single : A 111 LYS NZ :NH3+ 170:sc=-0.00221 (180deg=-0.0961) USER MOD Single : A 113 SER OG : rot 80:sc=0.000949 USER MOD Single : A 115 LYS NZ :NH3+ -125:sc= 0.598 (180deg=-0.177) USER MOD Single : A 119 LYS NZ :NH3+ 162:sc= 1.26 (180deg=1.14) USER MOD Single : A 121 TYR OH : rot -38:sc= 0.638 USER MOD Single : A 122 LYS NZ :NH3+ -169:sc= -0.0109 (180deg=-0.115) USER MOD Single : A 124 MET CE :methyl -142:sc= -0.45 (180deg=-1.85) USER MOD Single : A 125 SER OG : rot 140:sc= 1.25 USER MOD Single : A 129 LYS NZ :NH3+ 165:sc= 0.857 (180deg=0.726) USER MOD Single : A 134 LYS NZ :NH3+ -172:sc= 0.935 (180deg=0.887) USER MOD Single : A 135 GLN : amide:sc= -1 K(o=-1,f=-3) USER MOD Single : A 141 LYS NZ :NH3+ 138:sc= 0.158 (180deg=0) USER MOD Single : A 145 SER OG : rot 78:sc= 1.22 USER MOD Single : A 147 LYS NZ :NH3+ 173:sc= 1.07 (180deg=1.02) USER MOD Single : A 150 LYS NZ :NH3+ -168:sc= 0.0949 (180deg=-0.101) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 4.346 19.096 -8.371 1.00 1.03 N ATOM 222 CA PHE A 1 3.644 17.838 -8.232 1.00 1.07 C ATOM 223 C PHE A 1 2.150 18.065 -8.079 1.00 0.89 C ATOM 224 O PHE A 1 1.717 18.904 -7.289 1.00 0.81 O ATOM 225 CB PHE A 1 4.167 17.076 -7.021 1.00 1.39 C ATOM 226 CG PHE A 1 3.342 15.873 -6.691 1.00 0.93 C ATOM 227 CD1 PHE A 1 3.397 14.742 -7.484 1.00 1.11 C ATOM 228 CD2 PHE A 1 2.531 15.870 -5.574 1.00 1.15 C ATOM 229 CE1 PHE A 1 2.649 13.625 -7.168 1.00 1.14 C ATOM 230 CE2 PHE A 1 1.779 14.760 -5.255 1.00 1.47 C ATOM 231 CZ PHE A 1 1.789 13.655 -6.108 1.00 1.31 C ATOM 0 H1 PHE A 1 5.218 19.071 -7.805 1.00 1.03 H new ATOM 0 H2 PHE A 1 4.587 19.251 -9.371 1.00 1.03 H new ATOM 0 H3 PHE A 1 3.738 19.871 -8.037 1.00 1.03 H new ATOM 0 HA PHE A 1 3.819 17.253 -9.135 1.00 1.07 H new ATOM 0 HB2 PHE A 1 5.195 16.765 -7.209 1.00 1.39 H new ATOM 0 HB3 PHE A 1 4.189 17.743 -6.159 1.00 1.39 H new ATOM 0 HD1 PHE A 1 4.031 14.732 -8.359 1.00 1.11 H new ATOM 0 HD2 PHE A 1 2.485 16.746 -4.944 1.00 1.15 H new ATOM 0 HE1 PHE A 1 2.744 12.727 -7.760 1.00 1.14 H new ATOM 0 HE2 PHE A 1 1.187 14.745 -4.352 1.00 1.47 H new ATOM 0 HZ PHE A 1 1.119 12.827 -5.930 1.00 1.31 H new ATOM 241 N LYS A 2 1.365 17.336 -8.853 1.00 0.96 N ATOM 242 CA LYS A 2 -0.075 17.380 -8.706 1.00 0.98 C ATOM 243 C LYS A 2 -0.635 15.997 -8.386 1.00 1.01 C ATOM 244 O LYS A 2 -0.836 15.663 -7.220 1.00 1.42 O ATOM 245 CB LYS A 2 -0.716 17.945 -9.972 1.00 1.14 C ATOM 246 CG LYS A 2 -0.267 19.360 -10.293 1.00 1.62 C ATOM 247 CD LYS A 2 -0.594 19.739 -11.727 1.00 2.02 C ATOM 248 CE LYS A 2 0.233 18.935 -12.721 1.00 2.67 C ATOM 249 NZ LYS A 2 1.697 19.130 -12.522 1.00 3.15 N ATOM 0 H LYS A 2 1.700 16.710 -9.585 1.00 0.96 H new ATOM 0 HA LYS A 2 -0.316 18.037 -7.870 1.00 0.98 H new ATOM 0 HB2 LYS A 2 -0.476 17.295 -10.814 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -1.800 17.932 -9.859 1.00 1.14 H new ATOM 0 HG2 LYS A 2 -0.752 20.059 -9.612 1.00 1.62 H new ATOM 0 HG3 LYS A 2 0.807 19.448 -10.129 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -1.654 19.572 -11.916 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -0.408 20.803 -11.874 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -0.008 17.877 -12.620 1.00 2.67 H new ATOM 0 HE3 LYS A 2 -0.036 19.228 -13.736 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 2.207 18.828 -13.377 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 1.892 20.135 -12.340 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 2.016 18.563 -11.710 1.00 3.15 H new ATOM 263 N TYR A 3 -0.843 15.196 -9.422 1.00 0.91 N ATOM 264 CA TYR A 3 -1.481 13.880 -9.305 1.00 0.94 C ATOM 265 C TYR A 3 -1.840 13.389 -10.695 1.00 1.01 C ATOM 266 O TYR A 3 -1.637 12.225 -11.042 1.00 0.90 O ATOM 267 CB TYR A 3 -2.747 13.944 -8.433 1.00 1.02 C ATOM 268 CG TYR A 3 -3.472 12.625 -8.284 1.00 1.12 C ATOM 269 CD1 TYR A 3 -2.834 11.524 -7.728 1.00 1.31 C ATOM 270 CD2 TYR A 3 -4.783 12.476 -8.712 1.00 1.36 C ATOM 271 CE1 TYR A 3 -3.484 10.312 -7.600 1.00 1.62 C ATOM 272 CE2 TYR A 3 -5.440 11.267 -8.589 1.00 1.78 C ATOM 273 CZ TYR A 3 -4.823 10.214 -7.989 1.00 1.87 C ATOM 274 OH TYR A 3 -5.436 8.981 -7.914 1.00 2.35 O ATOM 0 H TYR A 3 -0.574 15.437 -10.376 1.00 0.91 H new ATOM 0 HA TYR A 3 -0.783 13.193 -8.826 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -2.473 14.308 -7.443 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -3.432 14.675 -8.862 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -1.812 11.617 -7.390 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -5.298 13.319 -9.148 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -2.965 9.452 -7.205 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -6.445 11.158 -8.970 1.00 1.78 H new ATOM 0 HH TYR A 3 -6.366 9.059 -8.214 1.00 2.35 H new ATOM 284 N GLU A 4 -2.368 14.308 -11.494 1.00 1.38 N ATOM 285 CA GLU A 4 -2.688 14.026 -12.885 1.00 1.74 C ATOM 286 C GLU A 4 -1.419 13.771 -13.688 1.00 1.24 C ATOM 287 O GLU A 4 -1.460 13.175 -14.761 1.00 1.52 O ATOM 288 CB GLU A 4 -3.467 15.187 -13.501 1.00 2.44 C ATOM 289 CG GLU A 4 -4.783 15.474 -12.802 1.00 3.05 C ATOM 290 CD GLU A 4 -5.531 16.629 -13.428 1.00 3.65 C ATOM 291 OE1 GLU A 4 -5.046 17.777 -13.340 1.00 3.95 O ATOM 292 OE2 GLU A 4 -6.614 16.394 -14.007 1.00 4.16 O ATOM 0 H GLU A 4 -2.584 15.260 -11.199 1.00 1.38 H new ATOM 0 HA GLU A 4 -3.307 13.129 -12.914 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -2.848 16.084 -13.474 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -3.663 14.966 -14.550 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -5.408 14.582 -12.831 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -4.592 15.695 -11.752 1.00 3.05 H new ATOM 299 N ASP A 5 -0.290 14.212 -13.149 1.00 0.71 N ATOM 300 CA ASP A 5 0.989 14.075 -13.832 1.00 0.73 C ATOM 301 C ASP A 5 1.668 12.755 -13.473 1.00 0.72 C ATOM 302 O ASP A 5 2.711 12.414 -14.028 1.00 0.90 O ATOM 303 CB ASP A 5 1.903 15.258 -13.500 1.00 1.07 C ATOM 304 CG ASP A 5 2.063 15.473 -12.007 1.00 1.83 C ATOM 305 OD1 ASP A 5 1.072 15.821 -11.339 1.00 2.15 O ATOM 306 OD2 ASP A 5 3.190 15.283 -11.497 1.00 2.57 O ATOM 0 H ASP A 5 -0.234 14.669 -12.239 1.00 0.71 H new ATOM 0 HA ASP A 5 0.799 14.072 -14.905 1.00 0.73 H new ATOM 0 HB2 ASP A 5 2.883 15.091 -13.946 1.00 1.07 H new ATOM 0 HB3 ASP A 5 1.497 16.163 -13.952 1.00 1.07 H new ATOM 311 N ILE A 6 1.072 12.015 -12.546 1.00 0.58 N ATOM 312 CA ILE A 6 1.559 10.686 -12.204 1.00 0.55 C ATOM 313 C ILE A 6 1.044 9.695 -13.241 1.00 0.54 C ATOM 314 O ILE A 6 -0.118 9.788 -13.646 1.00 0.58 O ATOM 315 CB ILE A 6 1.067 10.237 -10.807 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.362 11.307 -9.755 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.712 8.915 -10.404 1.00 0.56 C ATOM 318 CD1 ILE A 6 0.807 10.970 -8.388 1.00 0.69 C ATOM 0 H ILE A 6 0.251 12.313 -12.018 1.00 0.58 H new ATOM 0 HA ILE A 6 2.648 10.716 -12.190 1.00 0.55 H new ATOM 0 HB ILE A 6 -0.012 10.095 -10.864 1.00 0.55 H new ATOM 0 HG12 ILE A 6 2.441 11.444 -9.678 1.00 0.63 H new ATOM 0 HG13 ILE A 6 0.943 12.257 -10.086 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.351 8.619 -9.419 1.00 0.56 H new ATOM 0 HG22 ILE A 6 1.451 8.146 -11.132 1.00 0.56 H new ATOM 0 HG23 ILE A 6 2.795 9.033 -10.373 1.00 0.56 H new ATOM 0 HD11 ILE A 6 1.051 11.770 -7.689 1.00 0.69 H new ATOM 0 HD12 ILE A 6 -0.276 10.862 -8.452 1.00 0.69 H new ATOM 0 HD13 ILE A 6 1.245 10.035 -8.038 1.00 0.69 H new ATOM 325 N PRO A 7 1.895 8.759 -13.707 1.00 0.53 N ATOM 326 CA PRO A 7 1.486 7.718 -14.655 1.00 0.55 C ATOM 327 C PRO A 7 0.182 7.056 -14.236 1.00 0.53 C ATOM 328 O PRO A 7 0.114 6.397 -13.193 1.00 0.52 O ATOM 329 CB PRO A 7 2.639 6.721 -14.595 1.00 0.55 C ATOM 330 CG PRO A 7 3.828 7.552 -14.264 1.00 0.60 C ATOM 331 CD PRO A 7 3.326 8.641 -13.354 1.00 0.54 C ATOM 0 HA PRO A 7 1.301 8.112 -15.654 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.465 5.957 -13.838 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.767 6.204 -15.546 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.597 6.956 -13.773 1.00 0.60 H new ATOM 0 HG3 PRO A 7 4.276 7.971 -15.165 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.459 8.379 -12.304 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.858 9.578 -13.519 1.00 0.54 H new ATOM 339 N ALA A 8 -0.849 7.232 -15.052 1.00 0.55 N ATOM 340 CA ALA A 8 -2.181 6.742 -14.726 1.00 0.54 C ATOM 341 C ALA A 8 -2.197 5.224 -14.613 1.00 0.55 C ATOM 342 O ALA A 8 -3.085 4.653 -13.978 1.00 0.56 O ATOM 343 CB ALA A 8 -3.192 7.213 -15.760 1.00 0.57 C ATOM 0 H ALA A 8 -0.787 7.713 -15.949 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.461 7.153 -13.756 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.181 6.837 -15.499 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.212 8.303 -15.780 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -2.909 6.838 -16.743 1.00 0.57 H new ATOM 349 N ASP A 9 -1.203 4.576 -15.212 1.00 0.55 N ATOM 350 CA ASP A 9 -1.087 3.126 -15.126 1.00 0.57 C ATOM 351 C ASP A 9 -0.821 2.707 -13.687 1.00 0.54 C ATOM 352 O ASP A 9 -1.302 1.678 -13.215 1.00 0.55 O ATOM 353 CB ASP A 9 0.051 2.620 -16.017 1.00 0.61 C ATOM 354 CG ASP A 9 -0.329 2.557 -17.477 1.00 0.93 C ATOM 355 OD1 ASP A 9 -0.322 3.613 -18.141 1.00 1.37 O ATOM 356 OD2 ASP A 9 -0.638 1.455 -17.974 1.00 1.33 O ATOM 0 H ASP A 9 -0.471 5.029 -15.759 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.026 2.690 -15.467 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.915 3.274 -15.900 1.00 0.61 H new ATOM 0 HB3 ASP A 9 0.354 1.628 -15.682 1.00 0.61 H new ATOM 361 N TYR A 10 -0.047 3.541 -13.000 1.00 0.52 N ATOM 362 CA TYR A 10 0.380 3.274 -11.636 1.00 0.50 C ATOM 363 C TYR A 10 -0.682 3.698 -10.627 1.00 0.49 C ATOM 364 O TYR A 10 -0.789 3.110 -9.552 1.00 0.51 O ATOM 365 CB TYR A 10 1.700 4.001 -11.356 1.00 0.52 C ATOM 366 CG TYR A 10 2.210 3.844 -9.939 1.00 0.53 C ATOM 367 CD1 TYR A 10 2.687 2.620 -9.486 1.00 0.59 C ATOM 368 CD2 TYR A 10 2.210 4.915 -9.053 1.00 0.59 C ATOM 369 CE1 TYR A 10 3.152 2.468 -8.194 1.00 0.66 C ATOM 370 CE2 TYR A 10 2.673 4.770 -7.759 1.00 0.66 C ATOM 371 CZ TYR A 10 3.151 3.566 -7.336 1.00 0.70 C ATOM 372 OH TYR A 10 3.604 3.395 -6.048 1.00 0.80 O ATOM 0 H TYR A 10 0.301 4.423 -13.377 1.00 0.52 H new ATOM 0 HA TYR A 10 0.528 2.199 -11.528 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.458 3.631 -12.046 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.568 5.062 -11.567 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.694 1.773 -10.156 1.00 0.59 H new ATOM 0 HD2 TYR A 10 1.842 5.876 -9.381 1.00 0.59 H new ATOM 0 HE1 TYR A 10 3.512 1.509 -7.853 1.00 0.66 H new ATOM 0 HE2 TYR A 10 2.656 5.612 -7.082 1.00 0.66 H new ATOM 0 HH TYR A 10 3.546 4.246 -5.565 1.00 0.80 H new ATOM 382 N ARG A 11 -1.479 4.710 -10.968 1.00 0.48 N ATOM 383 CA ARG A 11 -2.520 5.176 -10.052 1.00 0.49 C ATOM 384 C ARG A 11 -3.609 4.116 -9.941 1.00 0.50 C ATOM 385 O ARG A 11 -4.369 4.074 -8.975 1.00 0.54 O ATOM 386 CB ARG A 11 -3.119 6.507 -10.512 1.00 0.51 C ATOM 387 CG ARG A 11 -2.094 7.611 -10.713 1.00 0.48 C ATOM 388 CD ARG A 11 -2.762 8.943 -11.016 1.00 0.60 C ATOM 389 NE ARG A 11 -3.765 8.826 -12.074 1.00 0.88 N ATOM 390 CZ ARG A 11 -3.992 9.754 -13.001 1.00 1.19 C ATOM 391 NH1 ARG A 11 -3.281 10.873 -13.024 1.00 1.61 N ATOM 392 NH2 ARG A 11 -4.940 9.559 -13.908 1.00 1.73 N ATOM 0 H ARG A 11 -1.427 5.214 -11.853 1.00 0.48 H new ATOM 0 HA ARG A 11 -2.068 5.341 -9.074 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.655 6.348 -11.448 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -3.853 6.837 -9.777 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.480 7.706 -9.818 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.425 7.344 -11.531 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -3.233 9.326 -10.111 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -2.005 9.669 -11.313 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.328 7.976 -12.104 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -2.552 11.029 -12.327 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -3.463 11.578 -13.738 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -5.491 8.701 -13.893 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -5.118 10.267 -14.620 1.00 1.73 H new ATOM 406 N ASP A 12 -3.646 3.254 -10.950 1.00 0.48 N ATOM 407 CA ASP A 12 -4.549 2.111 -10.991 1.00 0.50 C ATOM 408 C ASP A 12 -4.160 1.083 -9.926 1.00 0.52 C ATOM 409 O ASP A 12 -4.934 0.186 -9.595 1.00 0.62 O ATOM 410 CB ASP A 12 -4.484 1.486 -12.391 1.00 0.51 C ATOM 411 CG ASP A 12 -5.485 0.365 -12.612 1.00 0.76 C ATOM 412 OD1 ASP A 12 -6.700 0.588 -12.414 1.00 1.02 O ATOM 413 OD2 ASP A 12 -5.064 -0.732 -13.035 1.00 0.99 O ATOM 0 H ASP A 12 -3.044 3.330 -11.770 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.567 2.438 -10.782 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.656 2.265 -13.134 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -3.479 1.100 -12.560 1.00 0.51 H new ATOM 418 N LEU A 13 -2.949 1.228 -9.391 1.00 0.50 N ATOM 419 CA LEU A 13 -2.454 0.342 -8.343 1.00 0.53 C ATOM 420 C LEU A 13 -2.493 1.035 -6.983 1.00 0.62 C ATOM 421 O LEU A 13 -2.115 0.451 -5.970 1.00 0.93 O ATOM 422 CB LEU A 13 -1.011 -0.079 -8.641 1.00 0.49 C ATOM 423 CG LEU A 13 -0.765 -0.685 -10.023 1.00 0.44 C ATOM 424 CD1 LEU A 13 0.704 -1.038 -10.189 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.631 -1.915 -10.235 1.00 0.88 C ATOM 0 H LEU A 13 -2.290 1.956 -9.669 1.00 0.50 H new ATOM 0 HA LEU A 13 -3.098 -0.537 -8.318 1.00 0.53 H new ATOM 0 HB2 LEU A 13 -0.368 0.794 -8.528 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.701 -0.803 -7.887 1.00 0.49 H new ATOM 0 HG LEU A 13 -1.035 0.056 -10.775 1.00 0.44 H new ATOM 0 HD11 LEU A 13 0.865 -1.469 -11.177 1.00 0.78 H new ATOM 0 HD12 LEU A 13 1.309 -0.138 -10.082 1.00 0.78 H new ATOM 0 HD13 LEU A 13 0.993 -1.761 -9.427 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.439 -2.329 -11.225 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -1.394 -2.662 -9.477 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -2.682 -1.638 -10.155 1.00 0.88 H new ATOM 437 N MET A 14 -2.941 2.282 -6.965 1.00 0.55 N ATOM 438 CA MET A 14 -2.955 3.068 -5.736 1.00 0.64 C ATOM 439 C MET A 14 -4.174 2.738 -4.882 1.00 0.55 C ATOM 440 O MET A 14 -5.300 2.725 -5.378 1.00 0.53 O ATOM 441 CB MET A 14 -2.951 4.566 -6.052 1.00 0.82 C ATOM 442 CG MET A 14 -1.604 5.110 -6.489 1.00 0.97 C ATOM 443 SD MET A 14 -1.674 6.874 -6.865 1.00 1.15 S ATOM 444 CE MET A 14 0.051 7.221 -7.192 1.00 1.04 C ATOM 0 H MET A 14 -3.299 2.772 -7.785 1.00 0.55 H new ATOM 0 HA MET A 14 -2.055 2.813 -5.177 1.00 0.64 H new ATOM 0 HB2 MET A 14 -3.681 4.761 -6.838 1.00 0.82 H new ATOM 0 HB3 MET A 14 -3.281 5.112 -5.168 1.00 0.82 H new ATOM 0 HG2 MET A 14 -0.871 4.936 -5.702 1.00 0.97 H new ATOM 0 HG3 MET A 14 -1.262 4.565 -7.369 1.00 0.97 H new ATOM 0 HE1 MET A 14 0.244 8.283 -7.037 1.00 1.04 H new ATOM 0 HE2 MET A 14 0.674 6.636 -6.515 1.00 1.04 H new ATOM 0 HE3 MET A 14 0.286 6.956 -8.223 1.00 1.04 H new ATOM 454 N PRO A 15 -3.957 2.464 -3.584 1.00 0.62 N ATOM 455 CA PRO A 15 -5.045 2.220 -2.633 1.00 0.67 C ATOM 456 C PRO A 15 -6.026 3.389 -2.593 1.00 0.59 C ATOM 457 O PRO A 15 -5.620 4.555 -2.597 1.00 0.57 O ATOM 458 CB PRO A 15 -4.328 2.084 -1.285 1.00 0.88 C ATOM 459 CG PRO A 15 -2.932 1.700 -1.632 1.00 0.90 C ATOM 460 CD PRO A 15 -2.633 2.366 -2.945 1.00 0.74 C ATOM 0 HA PRO A 15 -5.635 1.343 -2.900 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -4.353 3.020 -0.728 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -4.802 1.328 -0.660 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -2.234 2.027 -0.861 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -2.834 0.617 -1.712 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -2.180 3.348 -2.804 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -1.939 1.778 -3.546 1.00 0.74 H new ATOM 468 N PRO A 16 -7.334 3.080 -2.535 1.00 0.65 N ATOM 469 CA PRO A 16 -8.409 4.077 -2.637 1.00 0.70 C ATOM 470 C PRO A 16 -8.332 5.140 -1.551 1.00 0.71 C ATOM 471 O PRO A 16 -8.740 6.283 -1.761 1.00 0.74 O ATOM 472 CB PRO A 16 -9.693 3.253 -2.486 1.00 0.85 C ATOM 473 CG PRO A 16 -9.262 1.974 -1.859 1.00 0.96 C ATOM 474 CD PRO A 16 -7.870 1.723 -2.352 1.00 0.76 C ATOM 0 HA PRO A 16 -8.350 4.628 -3.576 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -10.423 3.771 -1.864 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.165 3.079 -3.453 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -9.284 2.045 -0.772 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -9.928 1.158 -2.139 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -7.284 1.151 -1.632 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -7.868 1.159 -3.285 1.00 0.76 H new ATOM 482 N GLU A 17 -7.795 4.763 -0.399 1.00 0.78 N ATOM 483 CA GLU A 17 -7.619 5.695 0.700 1.00 0.89 C ATOM 484 C GLU A 17 -6.521 6.700 0.364 1.00 0.84 C ATOM 485 O GLU A 17 -6.715 7.910 0.474 1.00 1.13 O ATOM 486 CB GLU A 17 -7.280 4.933 1.985 1.00 1.09 C ATOM 487 CG GLU A 17 -8.348 3.927 2.388 1.00 1.48 C ATOM 488 CD GLU A 17 -8.025 3.202 3.678 1.00 1.36 C ATOM 489 OE1 GLU A 17 -8.409 3.704 4.758 1.00 1.83 O ATOM 490 OE2 GLU A 17 -7.415 2.117 3.620 1.00 1.65 O ATOM 0 H GLU A 17 -7.474 3.815 -0.203 1.00 0.78 H new ATOM 0 HA GLU A 17 -8.549 6.241 0.857 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -6.332 4.412 1.851 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -7.139 5.647 2.796 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -9.302 4.443 2.497 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -8.471 3.196 1.588 1.00 1.48 H new ATOM 497 N ALA A 18 -5.381 6.189 -0.091 1.00 0.72 N ATOM 498 CA ALA A 18 -4.256 7.038 -0.470 1.00 0.73 C ATOM 499 C ALA A 18 -4.618 7.926 -1.658 1.00 0.62 C ATOM 500 O ALA A 18 -4.110 9.040 -1.793 1.00 0.72 O ATOM 501 CB ALA A 18 -3.039 6.182 -0.796 1.00 0.82 C ATOM 0 H ALA A 18 -5.212 5.190 -0.206 1.00 0.72 H new ATOM 0 HA ALA A 18 -4.015 7.685 0.373 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -2.206 6.826 -1.077 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -2.763 5.593 0.079 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -3.276 5.513 -1.623 1.00 0.82 H new ATOM 507 N ARG A 19 -5.497 7.418 -2.515 1.00 0.52 N ATOM 508 CA ARG A 19 -5.972 8.174 -3.665 1.00 0.49 C ATOM 509 C ARG A 19 -6.828 9.354 -3.227 1.00 0.50 C ATOM 510 O ARG A 19 -6.717 10.436 -3.789 1.00 0.52 O ATOM 511 CB ARG A 19 -6.772 7.277 -4.610 1.00 0.52 C ATOM 512 CG ARG A 19 -5.916 6.301 -5.393 1.00 0.64 C ATOM 513 CD ARG A 19 -6.763 5.352 -6.224 1.00 0.72 C ATOM 514 NE ARG A 19 -7.657 6.057 -7.143 1.00 1.01 N ATOM 515 CZ ARG A 19 -8.395 5.450 -8.070 1.00 1.43 C ATOM 516 NH1 ARG A 19 -8.311 4.133 -8.232 1.00 1.46 N ATOM 517 NH2 ARG A 19 -9.206 6.160 -8.840 1.00 2.16 N ATOM 0 H ARG A 19 -5.895 6.483 -2.433 1.00 0.52 H new ATOM 0 HA ARG A 19 -5.098 8.555 -4.194 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.507 6.718 -4.031 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -7.326 7.903 -5.309 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -5.240 6.853 -6.046 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -5.296 5.727 -4.704 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -6.110 4.691 -6.793 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -7.354 4.721 -5.560 1.00 0.72 H new ATOM 0 HE ARG A 19 -7.718 7.072 -7.069 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -7.680 3.586 -7.646 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -8.877 3.669 -8.943 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -9.265 7.172 -8.723 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -9.772 5.695 -9.550 1.00 2.16 H new ATOM 531 N ASP A 20 -7.674 9.133 -2.224 1.00 0.53 N ATOM 532 CA ASP A 20 -8.559 10.180 -1.703 1.00 0.57 C ATOM 533 C ASP A 20 -7.774 11.437 -1.336 1.00 0.56 C ATOM 534 O ASP A 20 -8.165 12.550 -1.691 1.00 0.57 O ATOM 535 CB ASP A 20 -9.329 9.671 -0.482 1.00 0.63 C ATOM 536 CG ASP A 20 -10.313 10.692 0.053 1.00 0.80 C ATOM 537 OD1 ASP A 20 -11.409 10.834 -0.529 1.00 1.06 O ATOM 538 OD2 ASP A 20 -9.985 11.377 1.045 1.00 0.98 O ATOM 0 H ASP A 20 -7.768 8.234 -1.751 1.00 0.53 H new ATOM 0 HA ASP A 20 -9.268 10.437 -2.490 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -9.865 8.760 -0.749 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -8.622 9.406 0.304 1.00 0.63 H new ATOM 543 N PHE A 21 -6.662 11.247 -0.639 1.00 0.57 N ATOM 544 CA PHE A 21 -5.771 12.348 -0.286 1.00 0.57 C ATOM 545 C PHE A 21 -5.281 13.087 -1.533 1.00 0.55 C ATOM 546 O PHE A 21 -5.578 14.262 -1.687 1.00 0.64 O ATOM 547 CB PHE A 21 -4.592 11.838 0.548 1.00 0.60 C ATOM 548 CG PHE A 21 -3.748 12.925 1.160 1.00 0.59 C ATOM 549 CD1 PHE A 21 -4.310 13.855 2.019 1.00 0.62 C ATOM 550 CD2 PHE A 21 -2.396 13.024 0.866 1.00 0.64 C ATOM 551 CE1 PHE A 21 -3.542 14.860 2.578 1.00 0.65 C ATOM 552 CE2 PHE A 21 -1.622 14.028 1.424 1.00 0.65 C ATOM 553 CZ PHE A 21 -2.179 14.921 2.299 1.00 0.63 C ATOM 0 H PHE A 21 -6.352 10.335 -0.304 1.00 0.57 H new ATOM 0 HA PHE A 21 -6.336 13.059 0.317 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.975 11.200 1.344 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.959 11.215 -0.083 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -5.362 13.794 2.255 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.942 12.310 0.195 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -3.997 15.593 3.227 1.00 0.65 H new ATOM 0 HE2 PHE A 21 -0.576 14.106 1.168 1.00 0.65 H new ATOM 0 HZ PHE A 21 -1.563 15.671 2.772 1.00 0.63 H new ATOM 563 N LEU A 22 -4.578 12.423 -2.438 1.00 0.56 N ATOM 564 CA LEU A 22 -4.046 13.115 -3.625 1.00 0.55 C ATOM 565 C LEU A 22 -5.144 13.465 -4.633 1.00 0.54 C ATOM 566 O LEU A 22 -4.890 14.178 -5.604 1.00 0.57 O ATOM 567 CB LEU A 22 -2.919 12.319 -4.290 1.00 0.56 C ATOM 568 CG LEU A 22 -1.501 12.636 -3.805 1.00 0.65 C ATOM 569 CD1 LEU A 22 -1.399 12.527 -2.297 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.506 11.695 -4.463 1.00 1.13 C ATOM 0 H LEU A 22 -4.361 11.428 -2.386 1.00 0.56 H new ATOM 0 HA LEU A 22 -3.623 14.055 -3.271 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -3.108 11.257 -4.132 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.962 12.494 -5.365 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.268 13.663 -4.086 1.00 0.65 H new ATOM 0 HD11 LEU A 22 -0.381 12.758 -1.984 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -2.090 13.232 -1.834 1.00 1.04 H new ATOM 0 HD13 LEU A 22 -1.653 11.513 -1.987 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.500 11.927 -4.113 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.752 10.665 -4.203 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -0.551 11.817 -5.545 1.00 1.13 H new ATOM 582 N GLN A 23 -6.347 12.977 -4.413 1.00 0.52 N ATOM 583 CA GLN A 23 -7.520 13.522 -5.084 1.00 0.52 C ATOM 584 C GLN A 23 -7.858 14.916 -4.551 1.00 0.53 C ATOM 585 O GLN A 23 -7.913 15.885 -5.308 1.00 0.54 O ATOM 586 CB GLN A 23 -8.723 12.605 -4.867 1.00 0.53 C ATOM 587 CG GLN A 23 -10.000 13.145 -5.485 1.00 0.78 C ATOM 588 CD GLN A 23 -11.217 12.320 -5.128 1.00 1.38 C ATOM 589 OE1 GLN A 23 -11.572 11.381 -5.836 1.00 2.05 O ATOM 590 NE2 GLN A 23 -11.863 12.673 -4.030 1.00 2.06 N ATOM 0 H GLN A 23 -6.543 12.205 -3.776 1.00 0.52 H new ATOM 0 HA GLN A 23 -7.293 13.593 -6.148 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -8.507 11.625 -5.292 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.876 12.462 -3.797 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -10.153 14.172 -5.154 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.890 13.173 -6.569 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -11.530 13.460 -3.473 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -12.694 12.158 -3.739 1.00 2.06 H new ATOM 599 N ASN A 24 -8.078 15.003 -3.243 1.00 0.58 N ATOM 600 CA ASN A 24 -8.588 16.226 -2.617 1.00 0.65 C ATOM 601 C ASN A 24 -7.486 17.255 -2.399 1.00 0.60 C ATOM 602 O ASN A 24 -7.710 18.458 -2.538 1.00 0.63 O ATOM 603 CB ASN A 24 -9.258 15.898 -1.281 1.00 0.85 C ATOM 604 CG ASN A 24 -10.446 14.967 -1.433 1.00 1.10 C ATOM 605 OD1 ASN A 24 -11.148 14.993 -2.446 1.00 1.84 O ATOM 606 ND2 ASN A 24 -10.673 14.130 -0.435 1.00 1.21 N ATOM 0 H ASN A 24 -7.911 14.238 -2.589 1.00 0.58 H new ATOM 0 HA ASN A 24 -9.321 16.658 -3.298 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -8.526 15.440 -0.615 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -9.585 16.823 -0.807 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -11.453 13.474 -0.487 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -10.068 14.140 0.387 1.00 1.21 H new ATOM 613 N LEU A 25 -6.305 16.780 -2.051 1.00 0.60 N ATOM 614 CA LEU A 25 -5.167 17.620 -1.817 1.00 0.65 C ATOM 615 C LEU A 25 -4.780 18.337 -3.115 1.00 0.64 C ATOM 616 O LEU A 25 -4.774 17.737 -4.188 1.00 0.64 O ATOM 617 CB LEU A 25 -4.054 16.718 -1.264 1.00 0.76 C ATOM 618 CG LEU A 25 -2.662 16.996 -1.771 1.00 0.59 C ATOM 619 CD1 LEU A 25 -2.163 18.259 -1.149 1.00 0.81 C ATOM 620 CD2 LEU A 25 -1.723 15.842 -1.475 1.00 1.05 C ATOM 0 H LEU A 25 -6.116 15.786 -1.924 1.00 0.60 H new ATOM 0 HA LEU A 25 -5.372 18.407 -1.092 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -4.048 16.808 -0.178 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -4.304 15.683 -1.497 1.00 0.76 H new ATOM 0 HG LEU A 25 -2.696 17.110 -2.855 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.156 18.469 -1.510 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -2.824 19.083 -1.418 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -2.144 18.148 -0.065 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -0.728 16.076 -1.854 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -1.672 15.681 -0.398 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -2.093 14.938 -1.960 1.00 1.05 H new ATOM 632 N SER A 26 -4.464 19.628 -3.009 1.00 0.73 N ATOM 633 CA SER A 26 -4.270 20.466 -4.188 1.00 0.83 C ATOM 634 C SER A 26 -2.894 21.134 -4.189 1.00 1.02 C ATOM 635 O SER A 26 -2.115 20.948 -3.255 1.00 1.78 O ATOM 636 CB SER A 26 -5.380 21.517 -4.269 1.00 0.93 C ATOM 637 OG SER A 26 -5.514 22.227 -3.049 1.00 1.72 O ATOM 0 H SER A 26 -4.338 20.113 -2.121 1.00 0.73 H new ATOM 0 HA SER A 26 -4.318 19.825 -5.068 1.00 0.83 H new ATOM 0 HB2 SER A 26 -5.162 22.216 -5.076 1.00 0.93 H new ATOM 0 HB3 SER A 26 -6.325 21.032 -4.514 1.00 0.93 H new ATOM 0 HG SER A 26 -4.727 22.064 -2.488 1.00 1.72 H new ATOM 643 N ASP A 27 -2.602 21.915 -5.229 1.00 0.96 N ATOM 644 CA ASP A 27 -1.258 22.466 -5.442 1.00 1.11 C ATOM 645 C ASP A 27 -0.754 23.283 -4.248 1.00 1.13 C ATOM 646 O ASP A 27 0.411 23.163 -3.864 1.00 1.95 O ATOM 647 CB ASP A 27 -1.206 23.311 -6.724 1.00 1.42 C ATOM 648 CG ASP A 27 -2.126 24.518 -6.693 1.00 1.84 C ATOM 649 OD1 ASP A 27 -1.682 25.595 -6.245 1.00 2.39 O ATOM 650 OD2 ASP A 27 -3.297 24.391 -7.107 1.00 2.19 O ATOM 0 H ASP A 27 -3.280 22.183 -5.942 1.00 0.96 H new ATOM 0 HA ASP A 27 -0.591 21.611 -5.551 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -0.182 23.649 -6.885 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -1.472 22.683 -7.574 1.00 1.42 H new ATOM 655 N GLY A 28 -1.627 24.087 -3.647 1.00 0.93 N ATOM 656 CA GLY A 28 -1.220 24.921 -2.523 1.00 0.87 C ATOM 657 C GLY A 28 -0.703 24.105 -1.352 1.00 0.75 C ATOM 658 O GLY A 28 0.209 24.522 -0.637 1.00 0.73 O ATOM 0 H GLY A 28 -2.607 24.178 -3.915 1.00 0.93 H new ATOM 0 HA2 GLY A 28 -0.444 25.613 -2.850 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -2.067 25.524 -2.196 1.00 0.87 H new ATOM 662 N ASP A 29 -1.286 22.934 -1.172 1.00 0.70 N ATOM 663 CA ASP A 29 -0.890 22.023 -0.108 1.00 0.67 C ATOM 664 C ASP A 29 0.289 21.172 -0.566 1.00 0.59 C ATOM 665 O ASP A 29 1.163 20.839 0.215 1.00 0.60 O ATOM 666 CB ASP A 29 -2.058 21.123 0.263 1.00 0.80 C ATOM 667 CG ASP A 29 -3.401 21.820 0.171 1.00 1.47 C ATOM 668 OD1 ASP A 29 -3.811 22.452 1.172 1.00 1.74 O ATOM 669 OD2 ASP A 29 -4.056 21.743 -0.890 1.00 2.25 O ATOM 0 H ASP A 29 -2.046 22.586 -1.757 1.00 0.70 H new ATOM 0 HA ASP A 29 -0.594 22.604 0.765 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -2.061 20.253 -0.394 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -1.916 20.754 1.279 1.00 0.80 H new ATOM 674 N LYS A 30 0.325 20.841 -1.847 1.00 0.63 N ATOM 675 CA LYS A 30 1.451 20.094 -2.407 1.00 0.65 C ATOM 676 C LYS A 30 2.715 20.954 -2.378 1.00 0.61 C ATOM 677 O LYS A 30 3.828 20.472 -2.595 1.00 0.65 O ATOM 678 CB LYS A 30 1.117 19.630 -3.829 1.00 0.78 C ATOM 679 CG LYS A 30 -0.086 18.705 -3.856 1.00 0.92 C ATOM 680 CD LYS A 30 -0.625 18.462 -5.256 1.00 0.89 C ATOM 681 CE LYS A 30 -1.963 17.743 -5.186 1.00 0.96 C ATOM 682 NZ LYS A 30 -2.606 17.580 -6.513 1.00 1.31 N ATOM 0 H LYS A 30 -0.406 21.074 -2.519 1.00 0.63 H new ATOM 0 HA LYS A 30 1.637 19.207 -1.801 1.00 0.65 H new ATOM 0 HB2 LYS A 30 0.921 20.499 -4.457 1.00 0.78 H new ATOM 0 HB3 LYS A 30 1.979 19.117 -4.255 1.00 0.78 H new ATOM 0 HG2 LYS A 30 0.189 17.750 -3.409 1.00 0.92 H new ATOM 0 HG3 LYS A 30 -0.877 19.130 -3.238 1.00 0.92 H new ATOM 0 HD2 LYS A 30 -0.741 19.411 -5.779 1.00 0.89 H new ATOM 0 HD3 LYS A 30 0.086 17.867 -5.829 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -1.818 16.761 -4.736 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -2.633 18.298 -4.530 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -3.639 17.626 -6.406 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -2.289 18.340 -7.148 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -2.341 16.659 -6.917 1.00 1.31 H new ATOM 696 N THR A 31 2.514 22.231 -2.083 1.00 0.60 N ATOM 697 CA THR A 31 3.601 23.172 -1.892 1.00 0.61 C ATOM 698 C THR A 31 4.290 22.929 -0.546 1.00 0.52 C ATOM 699 O THR A 31 5.494 23.126 -0.412 1.00 0.54 O ATOM 700 CB THR A 31 3.084 24.625 -1.958 1.00 0.68 C ATOM 701 OG1 THR A 31 2.436 24.854 -3.218 1.00 0.80 O ATOM 702 CG2 THR A 31 4.213 25.630 -1.780 1.00 0.76 C ATOM 0 H THR A 31 1.587 22.642 -1.970 1.00 0.60 H new ATOM 0 HA THR A 31 4.323 23.020 -2.694 1.00 0.61 H new ATOM 0 HB THR A 31 2.374 24.763 -1.142 1.00 0.68 H new ATOM 0 HG1 THR A 31 1.658 24.263 -3.298 1.00 0.80 H new ATOM 0 HG21 THR A 31 3.811 26.642 -1.832 1.00 0.76 H new ATOM 0 HG22 THR A 31 4.686 25.477 -0.810 1.00 0.76 H new ATOM 0 HG23 THR A 31 4.951 25.492 -2.570 1.00 0.76 H new ATOM 710 N VAL A 32 3.529 22.478 0.448 1.00 0.50 N ATOM 711 CA VAL A 32 4.102 22.205 1.755 1.00 0.50 C ATOM 712 C VAL A 32 4.653 20.784 1.822 1.00 0.47 C ATOM 713 O VAL A 32 5.612 20.523 2.552 1.00 0.48 O ATOM 714 CB VAL A 32 3.106 22.459 2.915 1.00 0.57 C ATOM 715 CG1 VAL A 32 1.873 21.585 2.835 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.799 22.256 4.244 1.00 0.85 C ATOM 0 H VAL A 32 2.528 22.297 0.372 1.00 0.50 H new ATOM 0 HA VAL A 32 4.923 22.910 1.885 1.00 0.50 H new ATOM 0 HB VAL A 32 2.769 23.491 2.824 1.00 0.57 H new ATOM 0 HG11 VAL A 32 1.214 21.808 3.674 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.349 21.780 1.899 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.167 20.536 2.874 1.00 0.60 H new ATOM 0 HG21 VAL A 32 3.092 22.436 5.054 1.00 0.85 H new ATOM 0 HG22 VAL A 32 4.171 21.233 4.308 1.00 0.85 H new ATOM 0 HG23 VAL A 32 4.634 22.952 4.329 1.00 0.85 H new ATOM 720 N LEU A 33 4.069 19.871 1.049 1.00 0.48 N ATOM 721 CA LEU A 33 4.589 18.514 0.950 1.00 0.49 C ATOM 722 C LEU A 33 6.084 18.517 0.607 1.00 0.50 C ATOM 723 O LEU A 33 6.875 17.859 1.276 1.00 0.54 O ATOM 724 CB LEU A 33 3.807 17.707 -0.101 1.00 0.53 C ATOM 725 CG LEU A 33 2.559 16.958 0.403 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.934 15.953 1.477 1.00 0.98 C ATOM 727 CD2 LEU A 33 1.499 17.909 0.927 1.00 0.74 C ATOM 0 H LEU A 33 3.238 20.048 0.485 1.00 0.48 H new ATOM 0 HA LEU A 33 4.462 18.039 1.923 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.500 18.387 -0.896 1.00 0.53 H new ATOM 0 HB3 LEU A 33 4.485 16.980 -0.548 1.00 0.53 H new ATOM 0 HG LEU A 33 2.137 16.428 -0.451 1.00 0.58 H new ATOM 0 HD11 LEU A 33 2.038 15.435 1.819 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.638 15.229 1.068 1.00 0.98 H new ATOM 0 HD13 LEU A 33 3.396 16.473 2.317 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.637 17.338 1.272 1.00 0.74 H new ATOM 0 HD22 LEU A 33 1.907 18.487 1.756 1.00 0.74 H new ATOM 0 HD23 LEU A 33 1.191 18.585 0.130 1.00 0.74 H new ATOM 739 N LYS A 34 6.471 19.289 -0.409 1.00 0.51 N ATOM 740 CA LYS A 34 7.871 19.330 -0.843 1.00 0.56 C ATOM 741 C LYS A 34 8.781 19.891 0.254 1.00 0.53 C ATOM 742 O LYS A 34 9.931 19.476 0.391 1.00 0.59 O ATOM 743 CB LYS A 34 8.029 20.169 -2.116 1.00 0.65 C ATOM 744 CG LYS A 34 7.572 21.608 -1.951 1.00 0.93 C ATOM 745 CD LYS A 34 8.032 22.494 -3.094 1.00 0.89 C ATOM 746 CE LYS A 34 7.617 23.939 -2.863 1.00 1.70 C ATOM 747 NZ LYS A 34 8.227 24.863 -3.850 1.00 2.41 N ATOM 0 H LYS A 34 5.843 19.889 -0.943 1.00 0.51 H new ATOM 0 HA LYS A 34 8.170 18.303 -1.054 1.00 0.56 H new ATOM 0 HB2 LYS A 34 9.076 20.161 -2.420 1.00 0.65 H new ATOM 0 HB3 LYS A 34 7.459 19.705 -2.921 1.00 0.65 H new ATOM 0 HG2 LYS A 34 6.484 21.636 -1.888 1.00 0.93 H new ATOM 0 HG3 LYS A 34 7.956 22.003 -1.011 1.00 0.93 H new ATOM 0 HD2 LYS A 34 9.116 22.434 -3.192 1.00 0.89 H new ATOM 0 HD3 LYS A 34 7.607 22.135 -4.031 1.00 0.89 H new ATOM 0 HE2 LYS A 34 6.531 24.016 -2.919 1.00 1.70 H new ATOM 0 HE3 LYS A 34 7.907 24.242 -1.857 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 7.916 25.836 -3.653 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 9.263 24.810 -3.781 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 7.930 24.592 -4.809 1.00 2.41 H new ATOM 761 N GLU A 35 8.260 20.835 1.026 1.00 0.47 N ATOM 762 CA GLU A 35 9.019 21.470 2.099 1.00 0.47 C ATOM 763 C GLU A 35 9.283 20.486 3.232 1.00 0.46 C ATOM 764 O GLU A 35 10.373 20.461 3.799 1.00 0.57 O ATOM 765 CB GLU A 35 8.266 22.690 2.630 1.00 0.47 C ATOM 766 CG GLU A 35 7.971 23.740 1.568 1.00 0.61 C ATOM 767 CD GLU A 35 9.225 24.352 0.980 1.00 1.26 C ATOM 768 OE1 GLU A 35 9.778 23.778 0.018 1.00 1.96 O ATOM 769 OE2 GLU A 35 9.677 25.398 1.483 1.00 1.47 O ATOM 0 H GLU A 35 7.306 21.182 0.929 1.00 0.47 H new ATOM 0 HA GLU A 35 9.977 21.793 1.693 1.00 0.47 H new ATOM 0 HB2 GLU A 35 7.326 22.361 3.073 1.00 0.47 H new ATOM 0 HB3 GLU A 35 8.851 23.148 3.428 1.00 0.47 H new ATOM 0 HG2 GLU A 35 7.385 23.286 0.769 1.00 0.61 H new ATOM 0 HG3 GLU A 35 7.358 24.529 2.004 1.00 0.61 H new ATOM 776 N VAL A 36 8.295 19.670 3.540 1.00 0.41 N ATOM 777 CA VAL A 36 8.416 18.687 4.607 1.00 0.42 C ATOM 778 C VAL A 36 9.267 17.495 4.164 1.00 0.50 C ATOM 779 O VAL A 36 10.137 17.027 4.896 1.00 0.62 O ATOM 780 CB VAL A 36 7.017 18.237 5.072 1.00 0.43 C ATOM 781 CG1 VAL A 36 7.074 16.964 5.897 1.00 0.98 C ATOM 782 CG2 VAL A 36 6.376 19.361 5.868 1.00 0.74 C ATOM 0 H VAL A 36 7.392 19.666 3.065 1.00 0.41 H new ATOM 0 HA VAL A 36 8.925 19.151 5.452 1.00 0.42 H new ATOM 0 HB VAL A 36 6.415 18.015 4.191 1.00 0.43 H new ATOM 0 HG11 VAL A 36 6.066 16.684 6.203 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.508 16.162 5.299 1.00 0.98 H new ATOM 0 HG13 VAL A 36 7.689 17.131 6.781 1.00 0.98 H new ATOM 0 HG21 VAL A 36 5.385 19.052 6.201 1.00 0.74 H new ATOM 0 HG22 VAL A 36 6.995 19.592 6.735 1.00 0.74 H new ATOM 0 HG23 VAL A 36 6.287 20.247 5.240 1.00 0.74 H new ATOM 786 N PHE A 37 9.017 17.031 2.954 1.00 0.49 N ATOM 787 CA PHE A 37 9.811 15.990 2.324 1.00 0.54 C ATOM 788 C PHE A 37 11.278 16.362 2.148 1.00 0.59 C ATOM 789 O PHE A 37 12.146 15.494 2.242 1.00 0.66 O ATOM 790 CB PHE A 37 9.167 15.635 0.991 1.00 0.57 C ATOM 791 CG PHE A 37 8.091 14.606 1.212 1.00 0.57 C ATOM 792 CD1 PHE A 37 6.865 14.972 1.743 1.00 0.74 C ATOM 793 CD2 PHE A 37 8.331 13.267 0.955 1.00 0.66 C ATOM 794 CE1 PHE A 37 5.894 14.026 2.001 1.00 0.83 C ATOM 795 CE2 PHE A 37 7.365 12.315 1.222 1.00 0.68 C ATOM 796 CZ PHE A 37 6.146 12.696 1.744 1.00 0.71 C ATOM 0 H PHE A 37 8.249 17.369 2.374 1.00 0.49 H new ATOM 0 HA PHE A 37 9.819 15.125 2.987 1.00 0.54 H new ATOM 0 HB2 PHE A 37 8.743 16.527 0.531 1.00 0.57 H new ATOM 0 HB3 PHE A 37 9.919 15.248 0.303 1.00 0.57 H new ATOM 0 HD1 PHE A 37 6.666 16.012 1.958 1.00 0.74 H new ATOM 0 HD2 PHE A 37 9.282 12.963 0.542 1.00 0.66 H new ATOM 0 HE1 PHE A 37 4.938 14.328 2.404 1.00 0.83 H new ATOM 0 HE2 PHE A 37 7.565 11.273 1.022 1.00 0.68 H new ATOM 0 HZ PHE A 37 5.390 11.953 1.951 1.00 0.71 H new ATOM 806 N LYS A 38 11.580 17.635 1.902 1.00 0.60 N ATOM 807 CA LYS A 38 12.980 18.041 1.811 1.00 0.69 C ATOM 808 C LYS A 38 13.488 18.516 3.166 1.00 0.78 C ATOM 809 O LYS A 38 14.585 19.070 3.282 1.00 1.02 O ATOM 810 CB LYS A 38 13.205 19.116 0.744 1.00 0.75 C ATOM 811 CG LYS A 38 13.012 18.633 -0.677 1.00 0.76 C ATOM 812 CD LYS A 38 13.567 19.646 -1.662 1.00 0.91 C ATOM 813 CE LYS A 38 13.091 19.361 -3.066 1.00 1.37 C ATOM 814 NZ LYS A 38 13.632 20.333 -4.052 1.00 2.18 N ATOM 0 H LYS A 38 10.899 18.382 1.766 1.00 0.60 H new ATOM 0 HA LYS A 38 13.550 17.163 1.507 1.00 0.69 H new ATOM 0 HB2 LYS A 38 12.521 19.944 0.930 1.00 0.75 H new ATOM 0 HB3 LYS A 38 14.217 19.508 0.848 1.00 0.75 H new ATOM 0 HG2 LYS A 38 13.511 17.674 -0.812 1.00 0.76 H new ATOM 0 HG3 LYS A 38 11.952 18.471 -0.872 1.00 0.76 H new ATOM 0 HD2 LYS A 38 13.259 20.649 -1.368 1.00 0.91 H new ATOM 0 HD3 LYS A 38 14.656 19.625 -1.634 1.00 0.91 H new ATOM 0 HE2 LYS A 38 13.390 18.352 -3.351 1.00 1.37 H new ATOM 0 HE3 LYS A 38 12.002 19.389 -3.091 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 13.278 20.098 -5.001 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 13.326 21.293 -3.797 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 14.671 20.289 -4.049 1.00 2.18 H new ATOM 828 N ALA A 39 12.675 18.299 4.181 1.00 0.71 N ATOM 829 CA ALA A 39 13.063 18.547 5.553 1.00 0.87 C ATOM 830 C ALA A 39 13.406 17.223 6.214 1.00 0.82 C ATOM 831 O ALA A 39 14.584 16.879 6.310 1.00 1.56 O ATOM 832 CB ALA A 39 11.958 19.282 6.312 1.00 1.06 C ATOM 0 H ALA A 39 11.724 17.945 4.076 1.00 0.71 H new ATOM 0 HA ALA A 39 13.941 19.192 5.572 1.00 0.87 H new ATOM 0 HB1 ALA A 39 12.276 19.455 7.340 1.00 1.06 H new ATOM 0 HB2 ALA A 39 11.758 20.238 5.828 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.051 18.677 6.310 1.00 1.06 H new ATOM 838 N GLY A 40 12.396 16.465 6.618 1.00 0.78 N ATOM 839 CA GLY A 40 12.637 15.199 7.295 1.00 1.03 C ATOM 840 C GLY A 40 13.650 15.318 8.427 1.00 1.29 C ATOM 841 O GLY A 40 13.747 16.371 9.065 1.00 1.54 O ATOM 0 H GLY A 40 11.412 16.701 6.491 1.00 0.78 H new ATOM 0 HA2 GLY A 40 11.696 14.821 7.694 1.00 1.03 H new ATOM 0 HA3 GLY A 40 12.993 14.467 6.570 1.00 1.03 H new ATOM 845 N PRO A 41 14.390 14.243 8.738 1.00 1.37 N ATOM 846 CA PRO A 41 14.154 12.910 8.211 1.00 1.22 C ATOM 847 C PRO A 41 13.265 12.104 9.149 1.00 1.09 C ATOM 848 O PRO A 41 13.490 12.052 10.359 1.00 1.18 O ATOM 849 CB PRO A 41 15.560 12.312 8.122 1.00 1.37 C ATOM 850 CG PRO A 41 16.426 13.149 9.021 1.00 1.60 C ATOM 851 CD PRO A 41 15.560 14.240 9.613 1.00 1.68 C ATOM 0 HA PRO A 41 13.636 12.912 7.252 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.561 11.269 8.440 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.928 12.333 7.096 1.00 1.37 H new ATOM 0 HG2 PRO A 41 16.861 12.536 9.810 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.254 13.581 8.459 1.00 1.60 H new ATOM 0 HD2 PRO A 41 15.290 14.024 10.647 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.068 15.204 9.611 1.00 1.68 H new ATOM 859 N TYR A 42 12.243 11.496 8.578 1.00 0.99 N ATOM 860 CA TYR A 42 11.202 10.860 9.362 1.00 0.92 C ATOM 861 C TYR A 42 11.331 9.348 9.327 1.00 0.97 C ATOM 862 O TYR A 42 11.281 8.729 8.262 1.00 1.08 O ATOM 863 CB TYR A 42 9.835 11.294 8.834 1.00 0.85 C ATOM 864 CG TYR A 42 9.715 12.792 8.668 1.00 0.87 C ATOM 865 CD1 TYR A 42 9.984 13.650 9.726 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.313 13.348 7.460 1.00 0.99 C ATOM 867 CE1 TYR A 42 9.854 15.017 9.582 1.00 1.02 C ATOM 868 CE2 TYR A 42 9.186 14.712 7.308 1.00 1.10 C ATOM 869 CZ TYR A 42 9.532 15.547 8.361 1.00 1.12 C ATOM 870 OH TYR A 42 9.320 16.903 8.225 1.00 1.28 O ATOM 0 H TYR A 42 12.111 11.429 7.569 1.00 0.99 H new ATOM 0 HA TYR A 42 11.307 11.173 10.401 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.653 10.812 7.874 1.00 0.85 H new ATOM 0 HB3 TYR A 42 9.060 10.946 9.518 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.299 13.242 10.675 1.00 0.90 H new ATOM 0 HD2 TYR A 42 9.096 12.699 6.624 1.00 0.99 H new ATOM 0 HE1 TYR A 42 10.006 15.667 10.431 1.00 1.02 H new ATOM 0 HE2 TYR A 42 8.821 15.126 6.380 1.00 1.10 H new ATOM 0 HH TYR A 42 10.167 17.347 8.010 1.00 1.28 H new ATOM 880 N LYS A 43 11.502 8.773 10.504 1.00 0.96 N ATOM 881 CA LYS A 43 11.568 7.329 10.676 1.00 1.01 C ATOM 882 C LYS A 43 10.184 6.715 10.507 1.00 0.98 C ATOM 883 O LYS A 43 10.050 5.509 10.275 1.00 1.06 O ATOM 884 CB LYS A 43 12.108 7.003 12.068 1.00 1.10 C ATOM 885 CG LYS A 43 12.493 5.543 12.253 1.00 1.72 C ATOM 886 CD LYS A 43 12.937 5.260 13.679 1.00 2.26 C ATOM 887 CE LYS A 43 13.483 3.849 13.828 1.00 2.94 C ATOM 888 NZ LYS A 43 14.700 3.632 13.003 1.00 3.51 N ATOM 0 H LYS A 43 11.600 9.296 11.374 1.00 0.96 H new ATOM 0 HA LYS A 43 12.234 6.913 9.920 1.00 1.01 H new ATOM 0 HB2 LYS A 43 12.980 7.626 12.264 1.00 1.10 H new ATOM 0 HB3 LYS A 43 11.355 7.267 12.810 1.00 1.10 H new ATOM 0 HG2 LYS A 43 11.644 4.907 12.002 1.00 1.72 H new ATOM 0 HG3 LYS A 43 13.297 5.287 11.563 1.00 1.72 H new ATOM 0 HD2 LYS A 43 13.702 5.979 13.971 1.00 2.26 H new ATOM 0 HD3 LYS A 43 12.094 5.398 14.357 1.00 2.26 H new ATOM 0 HE2 LYS A 43 13.717 3.660 14.876 1.00 2.94 H new ATOM 0 HE3 LYS A 43 12.716 3.131 13.538 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 15.210 2.794 13.350 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 14.425 3.484 12.011 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 15.318 4.466 13.070 1.00 3.51 H new ATOM 902 N ASN A 44 9.160 7.549 10.590 1.00 0.88 N ATOM 903 CA ASN A 44 7.787 7.081 10.542 1.00 0.85 C ATOM 904 C ASN A 44 6.914 8.089 9.806 1.00 0.80 C ATOM 905 O ASN A 44 7.375 9.176 9.454 1.00 0.85 O ATOM 906 CB ASN A 44 7.254 6.861 11.961 1.00 0.89 C ATOM 907 CG ASN A 44 7.351 8.116 12.802 1.00 0.95 C ATOM 908 OD1 ASN A 44 6.422 8.923 12.854 1.00 1.52 O ATOM 909 ND2 ASN A 44 8.483 8.299 13.461 1.00 1.10 N ATOM 0 H ASN A 44 9.256 8.559 10.692 1.00 0.88 H new ATOM 0 HA ASN A 44 7.759 6.133 10.005 1.00 0.85 H new ATOM 0 HB2 ASN A 44 6.215 6.536 11.912 1.00 0.89 H new ATOM 0 HB3 ASN A 44 7.816 6.059 12.440 1.00 0.89 H new ATOM 0 HD21 ASN A 44 8.609 9.131 14.037 1.00 1.10 H new ATOM 0 HD22 ASN A 44 9.230 7.608 13.393 1.00 1.10 H new ATOM 916 N THR A 45 5.657 7.740 9.589 1.00 0.77 N ATOM 917 CA THR A 45 4.740 8.596 8.854 1.00 0.76 C ATOM 918 C THR A 45 4.270 9.770 9.715 1.00 0.74 C ATOM 919 O THR A 45 4.127 10.895 9.229 1.00 0.92 O ATOM 920 CB THR A 45 3.521 7.785 8.374 1.00 0.84 C ATOM 921 OG1 THR A 45 3.960 6.645 7.621 1.00 1.05 O ATOM 922 CG2 THR A 45 2.593 8.632 7.519 1.00 1.18 C ATOM 0 H THR A 45 5.246 6.865 9.913 1.00 0.77 H new ATOM 0 HA THR A 45 5.274 8.993 7.990 1.00 0.76 H new ATOM 0 HB THR A 45 2.969 7.457 9.255 1.00 0.84 H new ATOM 0 HG1 THR A 45 3.181 6.132 7.320 1.00 1.05 H new ATOM 0 HG21 THR A 45 1.744 8.029 7.197 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.235 9.481 8.101 1.00 1.18 H new ATOM 0 HG23 THR A 45 3.133 8.994 6.644 1.00 1.18 H new ATOM 930 N GLU A 46 4.067 9.505 11.002 1.00 0.72 N ATOM 931 CA GLU A 46 3.519 10.494 11.929 1.00 0.71 C ATOM 932 C GLU A 46 4.395 11.740 12.032 1.00 0.66 C ATOM 933 O GLU A 46 3.880 12.847 12.178 1.00 0.65 O ATOM 934 CB GLU A 46 3.327 9.864 13.303 1.00 0.79 C ATOM 935 CG GLU A 46 2.212 8.835 13.335 1.00 1.41 C ATOM 936 CD GLU A 46 2.274 7.953 14.558 1.00 1.82 C ATOM 937 OE1 GLU A 46 1.954 8.441 15.661 1.00 2.24 O ATOM 938 OE2 GLU A 46 2.642 6.771 14.428 1.00 2.12 O ATOM 0 H GLU A 46 4.276 8.604 11.432 1.00 0.72 H new ATOM 0 HA GLU A 46 2.554 10.815 11.536 1.00 0.71 H new ATOM 0 HB2 GLU A 46 4.259 9.391 13.613 1.00 0.79 H new ATOM 0 HB3 GLU A 46 3.111 10.648 14.029 1.00 0.79 H new ATOM 0 HG2 GLU A 46 1.250 9.346 13.308 1.00 1.41 H new ATOM 0 HG3 GLU A 46 2.269 8.215 12.440 1.00 1.41 H new ATOM 945 N GLU A 47 5.708 11.567 11.950 1.00 0.67 N ATOM 946 CA GLU A 47 6.624 12.702 11.983 1.00 0.67 C ATOM 947 C GLU A 47 6.369 13.646 10.807 1.00 0.60 C ATOM 948 O GLU A 47 6.462 14.866 10.944 1.00 0.58 O ATOM 949 CB GLU A 47 8.079 12.232 11.965 1.00 0.73 C ATOM 950 CG GLU A 47 8.545 11.595 13.262 1.00 0.98 C ATOM 951 CD GLU A 47 10.043 11.357 13.280 1.00 1.64 C ATOM 952 OE1 GLU A 47 10.796 12.257 13.712 1.00 2.03 O ATOM 953 OE2 GLU A 47 10.477 10.266 12.861 1.00 2.26 O ATOM 0 H GLU A 47 6.161 10.658 11.861 1.00 0.67 H new ATOM 0 HA GLU A 47 6.443 13.243 12.912 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.207 11.514 11.155 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.721 13.084 11.741 1.00 0.73 H new ATOM 0 HG2 GLU A 47 8.271 12.238 14.099 1.00 0.98 H new ATOM 0 HG3 GLU A 47 8.027 10.647 13.405 1.00 0.98 H new ATOM 960 N SER A 48 6.033 13.076 9.656 1.00 0.58 N ATOM 961 CA SER A 48 5.740 13.871 8.471 1.00 0.54 C ATOM 962 C SER A 48 4.371 14.529 8.614 1.00 0.51 C ATOM 963 O SER A 48 4.163 15.655 8.163 1.00 0.49 O ATOM 964 CB SER A 48 5.785 12.991 7.217 1.00 0.57 C ATOM 965 OG SER A 48 5.614 13.760 6.037 1.00 1.19 O ATOM 0 H SER A 48 5.957 12.068 9.519 1.00 0.58 H new ATOM 0 HA SER A 48 6.495 14.651 8.370 1.00 0.54 H new ATOM 0 HB2 SER A 48 6.738 12.464 7.175 1.00 0.57 H new ATOM 0 HB3 SER A 48 5.004 12.233 7.275 1.00 0.57 H new ATOM 0 HG SER A 48 5.649 13.171 5.255 1.00 1.19 H new ATOM 971 N ILE A 49 3.453 13.819 9.255 1.00 0.51 N ATOM 972 CA ILE A 49 2.123 14.344 9.527 1.00 0.49 C ATOM 973 C ILE A 49 2.230 15.559 10.440 1.00 0.49 C ATOM 974 O ILE A 49 1.572 16.577 10.236 1.00 0.47 O ATOM 975 CB ILE A 49 1.235 13.267 10.190 1.00 0.51 C ATOM 976 CG1 ILE A 49 1.037 12.087 9.230 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.105 13.855 10.609 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.238 10.942 9.814 1.00 0.55 C ATOM 0 H ILE A 49 3.607 12.871 9.598 1.00 0.51 H new ATOM 0 HA ILE A 49 1.664 14.636 8.583 1.00 0.49 H new ATOM 0 HB ILE A 49 1.736 12.905 11.088 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.535 12.444 8.331 1.00 0.52 H new ATOM 0 HG13 ILE A 49 2.014 11.714 8.923 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.714 13.079 11.073 1.00 0.50 H new ATOM 0 HG22 ILE A 49 0.059 14.663 11.322 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.621 14.245 9.732 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.143 10.149 9.072 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.748 10.555 10.696 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.754 11.296 10.095 1.00 0.55 H new ATOM 985 N ALA A 50 3.097 15.430 11.432 1.00 0.52 N ATOM 986 CA ALA A 50 3.394 16.496 12.372 1.00 0.53 C ATOM 987 C ALA A 50 3.954 17.728 11.672 1.00 0.50 C ATOM 988 O ALA A 50 3.488 18.848 11.898 1.00 0.50 O ATOM 989 CB ALA A 50 4.393 15.987 13.387 1.00 0.57 C ATOM 0 H ALA A 50 3.619 14.572 11.608 1.00 0.52 H new ATOM 0 HA ALA A 50 2.467 16.791 12.863 1.00 0.53 H new ATOM 0 HB1 ALA A 50 4.624 16.779 14.099 1.00 0.57 H new ATOM 0 HB2 ALA A 50 3.970 15.134 13.918 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.306 15.680 12.877 1.00 0.57 H new ATOM 995 N ALA A 51 4.957 17.515 10.829 1.00 0.49 N ATOM 996 CA ALA A 51 5.584 18.605 10.091 1.00 0.48 C ATOM 997 C ALA A 51 4.565 19.325 9.214 1.00 0.45 C ATOM 998 O ALA A 51 4.600 20.551 9.075 1.00 0.47 O ATOM 999 CB ALA A 51 6.727 18.071 9.249 1.00 0.50 C ATOM 0 H ALA A 51 5.355 16.595 10.639 1.00 0.49 H new ATOM 0 HA ALA A 51 5.980 19.325 10.807 1.00 0.48 H new ATOM 0 HB1 ALA A 51 7.190 18.892 8.701 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.469 17.604 9.897 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.345 17.333 8.543 1.00 0.50 H new ATOM 1005 N LEU A 52 3.658 18.548 8.633 1.00 0.42 N ATOM 1006 CA LEU A 52 2.571 19.095 7.830 1.00 0.40 C ATOM 1007 C LEU A 52 1.590 19.870 8.701 1.00 0.39 C ATOM 1008 O LEU A 52 1.129 20.935 8.307 1.00 0.40 O ATOM 1009 CB LEU A 52 1.834 17.980 7.077 1.00 0.40 C ATOM 1010 CG LEU A 52 2.577 17.382 5.882 1.00 0.41 C ATOM 1011 CD1 LEU A 52 2.005 16.017 5.533 1.00 0.45 C ATOM 1012 CD2 LEU A 52 2.474 18.309 4.681 1.00 0.41 C ATOM 0 H LEU A 52 3.655 17.530 8.704 1.00 0.42 H new ATOM 0 HA LEU A 52 3.007 19.779 7.102 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.611 17.178 7.781 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.879 18.373 6.728 1.00 0.40 H new ATOM 0 HG LEU A 52 3.627 17.266 6.150 1.00 0.41 H new ATOM 0 HD11 LEU A 52 2.544 15.604 4.680 1.00 0.45 H new ATOM 0 HD12 LEU A 52 2.111 15.349 6.388 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.950 16.119 5.280 1.00 0.45 H new ATOM 0 HD21 LEU A 52 3.007 17.872 3.837 1.00 0.41 H new ATOM 0 HD22 LEU A 52 1.426 18.446 4.416 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.915 19.275 4.928 1.00 0.41 H new ATOM 1024 N LYS A 53 1.295 19.350 9.886 1.00 0.39 N ATOM 1025 CA LYS A 53 0.359 20.004 10.801 1.00 0.39 C ATOM 1026 C LYS A 53 0.862 21.378 11.234 1.00 0.40 C ATOM 1027 O LYS A 53 0.073 22.299 11.441 1.00 0.45 O ATOM 1028 CB LYS A 53 0.121 19.134 12.035 1.00 0.41 C ATOM 1029 CG LYS A 53 -0.835 17.977 11.802 1.00 0.42 C ATOM 1030 CD LYS A 53 -0.914 17.084 13.028 1.00 0.52 C ATOM 1031 CE LYS A 53 -2.034 16.068 12.912 1.00 0.52 C ATOM 1032 NZ LYS A 53 -3.374 16.714 12.920 1.00 1.22 N ATOM 0 H LYS A 53 1.689 18.478 10.239 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.580 20.137 10.264 1.00 0.39 H new ATOM 0 HB2 LYS A 53 1.077 18.738 12.377 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.271 19.759 12.837 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.826 18.362 11.563 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.504 17.394 10.943 1.00 0.42 H new ATOM 0 HD2 LYS A 53 0.035 16.565 13.162 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -1.070 17.697 13.915 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -1.912 15.497 11.991 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.968 15.359 13.738 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -4.087 16.030 13.243 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -3.362 17.531 13.563 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -3.611 17.033 11.959 1.00 1.22 H new ATOM 1046 N LYS A 54 2.176 21.503 11.380 1.00 0.39 N ATOM 1047 CA LYS A 54 2.794 22.756 11.805 1.00 0.41 C ATOM 1048 C LYS A 54 2.608 23.840 10.746 1.00 0.41 C ATOM 1049 O LYS A 54 2.260 24.976 11.068 1.00 0.47 O ATOM 1050 CB LYS A 54 4.281 22.543 12.096 1.00 0.44 C ATOM 1051 CG LYS A 54 5.017 23.808 12.504 1.00 1.24 C ATOM 1052 CD LYS A 54 6.508 23.560 12.649 1.00 1.63 C ATOM 1053 CE LYS A 54 7.250 24.827 13.042 1.00 2.24 C ATOM 1054 NZ LYS A 54 7.110 25.900 12.022 1.00 3.05 N ATOM 0 H LYS A 54 2.839 20.747 11.209 1.00 0.39 H new ATOM 0 HA LYS A 54 2.302 23.087 12.720 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.383 21.803 12.890 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.759 22.127 11.209 1.00 0.44 H new ATOM 0 HG2 LYS A 54 4.847 24.586 11.760 1.00 1.24 H new ATOM 0 HG3 LYS A 54 4.615 24.176 13.448 1.00 1.24 H new ATOM 0 HD2 LYS A 54 6.678 22.790 13.401 1.00 1.63 H new ATOM 0 HD3 LYS A 54 6.908 23.180 11.709 1.00 1.63 H new ATOM 0 HE2 LYS A 54 6.871 25.186 13.999 1.00 2.24 H new ATOM 0 HE3 LYS A 54 8.306 24.598 13.183 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 7.798 26.655 12.216 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 7.286 25.505 11.076 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 6.147 26.291 12.060 1.00 3.05 H new ATOM 1068 N LYS A 55 2.824 23.489 9.494 1.00 0.42 N ATOM 1069 CA LYS A 55 2.622 24.424 8.398 1.00 0.48 C ATOM 1070 C LYS A 55 1.135 24.576 8.091 1.00 0.47 C ATOM 1071 O LYS A 55 0.591 25.679 8.128 1.00 0.58 O ATOM 1072 CB LYS A 55 3.357 23.942 7.154 1.00 0.55 C ATOM 1073 CG LYS A 55 3.140 24.830 5.936 1.00 1.23 C ATOM 1074 CD LYS A 55 4.198 25.907 5.803 1.00 1.16 C ATOM 1075 CE LYS A 55 5.586 25.329 5.564 1.00 1.03 C ATOM 1076 NZ LYS A 55 6.597 26.396 5.342 1.00 1.48 N ATOM 0 H LYS A 55 3.140 22.563 9.207 1.00 0.42 H new ATOM 0 HA LYS A 55 3.020 25.394 8.696 1.00 0.48 H new ATOM 0 HB2 LYS A 55 4.424 23.890 7.370 1.00 0.55 H new ATOM 0 HB3 LYS A 55 3.030 22.929 6.918 1.00 0.55 H new ATOM 0 HG2 LYS A 55 3.140 24.213 5.037 1.00 1.23 H new ATOM 0 HG3 LYS A 55 2.158 25.297 6.002 1.00 1.23 H new ATOM 0 HD2 LYS A 55 3.936 26.570 4.978 1.00 1.16 H new ATOM 0 HD3 LYS A 55 4.211 26.514 6.708 1.00 1.16 H new ATOM 0 HE2 LYS A 55 5.880 24.722 6.421 1.00 1.03 H new ATOM 0 HE3 LYS A 55 5.560 24.667 4.699 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 7.529 25.963 5.183 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 6.330 26.959 4.509 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 6.640 27.013 6.178 1.00 1.48 H new ATOM 1090 N SER A 56 0.485 23.467 7.809 1.00 0.39 N ATOM 1091 CA SER A 56 -0.909 23.479 7.415 1.00 0.39 C ATOM 1092 C SER A 56 -1.718 22.556 8.327 1.00 0.38 C ATOM 1093 O SER A 56 -1.684 21.329 8.197 1.00 0.38 O ATOM 1094 CB SER A 56 -1.022 23.057 5.953 1.00 0.40 C ATOM 1095 OG SER A 56 -0.300 23.941 5.111 1.00 1.16 O ATOM 0 H SER A 56 0.904 22.538 7.846 1.00 0.39 H new ATOM 0 HA SER A 56 -1.316 24.485 7.517 1.00 0.39 H new ATOM 0 HB2 SER A 56 -0.641 22.043 5.833 1.00 0.40 H new ATOM 0 HB3 SER A 56 -2.070 23.041 5.656 1.00 0.40 H new ATOM 0 HG SER A 56 -0.386 23.649 4.180 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.474 23.167 9.264 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.163 22.452 10.347 1.00 0.43 C ATOM 1103 C PRO A 57 -4.147 21.401 9.847 1.00 0.44 C ATOM 1104 O PRO A 57 -4.066 20.230 10.216 1.00 0.45 O ATOM 1105 CB PRO A 57 -3.923 23.559 11.092 1.00 0.48 C ATOM 1106 CG PRO A 57 -3.967 24.713 10.154 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.720 24.617 9.329 1.00 0.45 C ATOM 0 HA PRO A 57 -2.451 21.903 10.962 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -4.928 23.233 11.360 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -3.417 23.826 12.020 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -4.856 24.672 9.525 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -4.005 25.657 10.697 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.859 25.047 8.337 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.888 25.147 9.793 1.00 0.45 H new ATOM 1115 N GLU A 58 -5.088 21.838 9.020 1.00 0.47 N ATOM 1116 CA GLU A 58 -6.120 20.956 8.494 1.00 0.51 C ATOM 1117 C GLU A 58 -5.555 20.025 7.432 1.00 0.47 C ATOM 1118 O GLU A 58 -6.089 18.942 7.197 1.00 0.47 O ATOM 1119 CB GLU A 58 -7.270 21.777 7.911 1.00 0.65 C ATOM 1120 CG GLU A 58 -7.997 22.622 8.943 1.00 1.44 C ATOM 1121 CD GLU A 58 -8.696 21.788 9.996 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -9.695 21.117 9.660 1.00 2.45 O ATOM 1123 OE2 GLU A 58 -8.258 21.801 11.167 1.00 2.42 O ATOM 0 H GLU A 58 -5.157 22.803 8.698 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.496 20.348 9.317 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -6.880 22.429 7.129 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -7.984 21.103 7.438 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -7.284 23.288 9.428 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -8.730 23.252 8.439 1.00 1.44 H new ATOM 1130 N LEU A 59 -4.465 20.442 6.805 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.853 19.660 5.740 1.00 0.48 C ATOM 1132 C LEU A 59 -3.204 18.427 6.348 1.00 0.43 C ATOM 1133 O LEU A 59 -3.329 17.311 5.840 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.818 20.521 5.012 1.00 0.56 C ATOM 1135 CG LEU A 59 -2.379 20.065 3.612 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -1.104 19.239 3.667 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -3.485 19.287 2.915 1.00 1.42 C ATOM 0 H LEU A 59 -3.986 21.318 7.015 1.00 0.46 H new ATOM 0 HA LEU A 59 -4.605 19.342 5.018 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -3.220 21.531 4.927 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.929 20.583 5.640 1.00 0.56 H new ATOM 0 HG LEU A 59 -2.173 20.964 3.032 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -0.824 18.934 2.659 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -0.302 19.836 4.101 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -1.270 18.354 4.281 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -3.145 18.978 1.927 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -3.737 18.405 3.505 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -4.367 19.920 2.814 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.531 18.658 7.470 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.933 17.580 8.224 1.00 0.36 C ATOM 1151 C GLY A 60 -2.982 16.724 8.901 1.00 0.35 C ATOM 1152 O GLY A 60 -2.741 15.563 9.210 1.00 0.36 O ATOM 0 H GLY A 60 -2.390 19.585 7.872 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.331 16.961 7.559 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.258 17.991 8.975 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.150 17.308 9.144 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.269 16.570 9.711 1.00 0.42 C ATOM 1158 C ALA A 61 -5.829 15.572 8.700 1.00 0.44 C ATOM 1159 O ALA A 61 -6.241 14.472 9.063 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.356 17.528 10.171 1.00 0.45 C ATOM 0 H ALA A 61 -4.345 18.291 8.956 1.00 0.37 H new ATOM 0 HA ALA A 61 -4.908 16.012 10.575 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.186 16.961 10.593 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -5.953 18.199 10.929 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.710 18.112 9.321 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.826 15.966 7.431 1.00 0.45 N ATOM 1167 CA LYS A 62 -6.302 15.104 6.352 1.00 0.50 C ATOM 1168 C LYS A 62 -5.477 13.825 6.280 1.00 0.54 C ATOM 1169 O LYS A 62 -6.021 12.718 6.335 1.00 0.69 O ATOM 1170 CB LYS A 62 -6.234 15.839 5.012 1.00 0.53 C ATOM 1171 CG LYS A 62 -7.128 17.062 4.939 1.00 0.90 C ATOM 1172 CD LYS A 62 -6.896 17.840 3.656 1.00 1.25 C ATOM 1173 CE LYS A 62 -7.742 19.100 3.605 1.00 1.51 C ATOM 1174 NZ LYS A 62 -9.196 18.801 3.522 1.00 2.17 N ATOM 0 H LYS A 62 -5.498 16.881 7.122 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.339 14.841 6.562 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -5.204 16.142 4.826 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -6.512 15.149 4.215 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -8.172 16.755 4.997 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -6.937 17.706 5.797 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -5.842 18.106 3.577 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -7.131 17.208 2.799 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -7.547 19.702 4.493 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -7.447 19.698 2.743 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -9.724 19.684 3.370 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -9.372 18.152 2.729 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -9.510 18.358 4.409 1.00 2.17 H new ATOM 1188 N VAL A 63 -4.161 13.979 6.167 1.00 0.45 N ATOM 1189 CA VAL A 63 -3.264 12.835 6.107 1.00 0.48 C ATOM 1190 C VAL A 63 -3.276 12.060 7.427 1.00 0.46 C ATOM 1191 O VAL A 63 -3.097 10.843 7.446 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.828 13.270 5.740 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -1.327 14.334 6.697 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.878 12.080 5.701 1.00 1.12 C ATOM 0 H VAL A 63 -3.695 14.885 6.115 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.625 12.172 5.321 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.857 13.699 4.738 1.00 0.48 H new ATOM 0 HG11 VAL A 63 -0.314 14.625 6.419 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.981 15.205 6.648 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -1.325 13.938 7.713 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.123 12.422 5.440 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -0.854 11.601 6.680 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -1.223 11.364 4.955 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.515 12.771 8.525 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.609 12.152 9.844 1.00 0.42 C ATOM 1200 C GLU A 64 -4.753 11.148 9.900 1.00 0.50 C ATOM 1201 O GLU A 64 -4.539 9.960 10.143 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.818 13.217 10.921 1.00 0.42 C ATOM 1203 CG GLU A 64 -4.144 12.644 12.291 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.520 13.713 13.291 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -5.130 14.723 12.888 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -4.217 13.543 14.493 1.00 1.70 O ATOM 0 H GLU A 64 -3.648 13.782 8.527 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.672 11.627 10.029 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -2.917 13.826 10.997 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.626 13.880 10.612 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -4.965 11.933 12.198 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.283 12.089 12.664 1.00 0.53 H new ATOM 1213 N LYS A 65 -5.968 11.634 9.665 1.00 0.58 N ATOM 1214 CA LYS A 65 -7.157 10.799 9.768 1.00 0.69 C ATOM 1215 C LYS A 65 -7.101 9.672 8.750 1.00 0.71 C ATOM 1216 O LYS A 65 -7.569 8.562 9.003 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.411 11.646 9.561 1.00 0.84 C ATOM 1218 CG LYS A 65 -8.550 12.765 10.578 1.00 1.92 C ATOM 1219 CD LYS A 65 -9.702 13.688 10.234 1.00 2.40 C ATOM 1220 CE LYS A 65 -9.716 14.919 11.125 1.00 3.23 C ATOM 1221 NZ LYS A 65 -10.760 15.892 10.712 1.00 3.96 N ATOM 0 H LYS A 65 -6.154 12.602 9.402 1.00 0.58 H new ATOM 0 HA LYS A 65 -7.194 10.360 10.765 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -8.391 12.075 8.559 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -9.289 11.003 9.615 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -8.707 12.340 11.569 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -7.623 13.338 10.619 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -9.625 13.994 9.191 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -10.644 13.150 10.340 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -9.890 14.617 12.158 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -8.739 15.401 11.094 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -10.736 16.717 11.345 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -10.580 16.200 9.735 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -11.696 15.441 10.766 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.499 9.969 7.607 1.00 0.72 N ATOM 1236 CA LEU A 66 -6.291 8.980 6.562 1.00 0.80 C ATOM 1237 C LEU A 66 -5.345 7.888 7.039 1.00 0.76 C ATOM 1238 O LEU A 66 -5.578 6.702 6.811 1.00 1.07 O ATOM 1239 CB LEU A 66 -5.708 9.654 5.324 1.00 0.84 C ATOM 1240 CG LEU A 66 -5.250 8.702 4.226 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -6.440 8.036 3.568 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -4.412 9.445 3.207 1.00 1.37 C ATOM 0 H LEU A 66 -6.143 10.898 7.380 1.00 0.72 H new ATOM 0 HA LEU A 66 -7.252 8.529 6.316 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.457 10.329 4.910 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -4.860 10.268 5.629 1.00 0.84 H new ATOM 0 HG LEU A 66 -4.634 7.922 4.673 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -6.093 7.360 2.787 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -6.999 7.471 4.314 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -7.086 8.796 3.129 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -4.090 8.754 2.427 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -5.004 10.244 2.762 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -3.537 9.872 3.697 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.306 8.298 7.741 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.264 7.385 8.163 1.00 0.55 C ATOM 1256 C HIS A 67 -3.799 6.508 9.271 1.00 0.44 C ATOM 1257 O HIS A 67 -3.428 5.348 9.407 1.00 0.45 O ATOM 1258 CB HIS A 67 -2.037 8.170 8.634 1.00 0.67 C ATOM 1259 CG HIS A 67 -0.885 7.312 9.050 1.00 0.94 C ATOM 1260 ND1 HIS A 67 -0.277 7.419 10.280 1.00 1.62 N ATOM 1261 CD2 HIS A 67 -0.212 6.350 8.381 1.00 1.85 C ATOM 1262 CE1 HIS A 67 0.721 6.561 10.349 1.00 2.13 C ATOM 1263 NE2 HIS A 67 0.783 5.897 9.211 1.00 2.34 N ATOM 0 H HIS A 67 -4.162 9.265 8.032 1.00 0.52 H new ATOM 0 HA HIS A 67 -2.960 6.757 7.326 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.712 8.831 7.831 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -2.325 8.804 9.472 1.00 0.67 H new ATOM 0 HD2 HIS A 67 -0.419 6.002 7.380 1.00 1.85 H new ATOM 0 HE1 HIS A 67 1.378 6.424 11.195 1.00 2.13 H new ATOM 0 HE2 HIS A 67 1.459 5.167 8.985 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.691 7.092 10.045 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.352 6.406 11.132 1.00 0.36 C ATOM 1274 C ALA A 68 -6.324 5.345 10.617 1.00 0.34 C ATOM 1275 O ALA A 68 -6.473 4.287 11.230 1.00 0.37 O ATOM 1276 CB ALA A 68 -6.071 7.434 11.983 1.00 0.40 C ATOM 0 H ALA A 68 -4.979 8.064 9.935 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.608 5.884 11.733 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.576 6.933 12.809 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -5.349 8.148 12.379 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.806 7.961 11.374 1.00 0.40 H new ATOM 1282 N MET A 69 -6.989 5.628 9.497 1.00 0.33 N ATOM 1283 CA MET A 69 -7.899 4.657 8.889 1.00 0.37 C ATOM 1284 C MET A 69 -7.122 3.448 8.399 1.00 0.37 C ATOM 1285 O MET A 69 -7.462 2.303 8.703 1.00 0.42 O ATOM 1286 CB MET A 69 -8.657 5.255 7.705 1.00 0.46 C ATOM 1287 CG MET A 69 -9.584 6.401 8.057 1.00 0.44 C ATOM 1288 SD MET A 69 -10.654 6.852 6.678 1.00 0.72 S ATOM 1289 CE MET A 69 -9.453 7.016 5.353 1.00 0.55 C ATOM 0 H MET A 69 -6.916 6.513 8.996 1.00 0.33 H new ATOM 0 HA MET A 69 -8.616 4.366 9.656 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.934 5.604 6.968 1.00 0.46 H new ATOM 0 HB3 MET A 69 -9.241 4.467 7.230 1.00 0.46 H new ATOM 0 HG2 MET A 69 -10.196 6.122 8.915 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.993 7.267 8.356 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.625 7.951 4.820 1.00 0.55 H new ATOM 0 HE2 MET A 69 -8.447 7.017 5.772 1.00 0.55 H new ATOM 0 HE3 MET A 69 -9.557 6.179 4.662 1.00 0.55 H new ATOM 1299 N VAL A 70 -6.080 3.719 7.629 1.00 0.36 N ATOM 1300 CA VAL A 70 -5.209 2.686 7.115 1.00 0.39 C ATOM 1301 C VAL A 70 -4.561 1.925 8.268 1.00 0.38 C ATOM 1302 O VAL A 70 -4.437 0.702 8.233 1.00 0.38 O ATOM 1303 CB VAL A 70 -4.128 3.308 6.213 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -3.230 2.236 5.634 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.773 4.130 5.104 1.00 0.70 C ATOM 0 H VAL A 70 -5.818 4.663 7.345 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.800 1.987 6.523 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.512 3.971 6.820 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -2.474 2.698 5.000 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.742 1.693 6.444 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -3.827 1.543 5.041 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.996 4.564 4.474 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -5.413 3.487 4.500 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -5.371 4.928 5.544 1.00 0.70 H new ATOM 1309 N LYS A 71 -4.181 2.666 9.304 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.611 2.077 10.510 1.00 0.43 C ATOM 1311 C LYS A 71 -4.602 1.113 11.151 1.00 0.44 C ATOM 1312 O LYS A 71 -4.222 0.047 11.610 1.00 0.45 O ATOM 1313 CB LYS A 71 -3.229 3.175 11.509 1.00 0.48 C ATOM 1314 CG LYS A 71 -2.604 2.665 12.802 1.00 1.22 C ATOM 1315 CD LYS A 71 -1.086 2.774 12.784 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.461 1.899 11.711 1.00 0.75 C ATOM 1317 NZ LYS A 71 1.026 1.932 11.770 1.00 1.47 N ATOM 0 H LYS A 71 -4.259 3.683 9.332 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.714 1.524 10.232 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -2.530 3.859 11.028 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -4.121 3.751 11.754 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -2.998 3.234 13.644 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -2.891 1.625 12.958 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.800 3.812 12.616 1.00 1.30 H new ATOM 0 HD3 LYS A 71 -0.691 2.488 13.759 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -0.807 0.872 11.831 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -0.794 2.234 10.729 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 1.417 1.406 10.962 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.353 2.918 11.732 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 1.348 1.494 12.657 1.00 1.47 H new ATOM 1331 N SER A 72 -5.873 1.496 11.160 1.00 0.45 N ATOM 1332 CA SER A 72 -6.929 0.681 11.752 1.00 0.49 C ATOM 1333 C SER A 72 -7.041 -0.665 11.032 1.00 0.45 C ATOM 1334 O SER A 72 -7.263 -1.702 11.656 1.00 0.49 O ATOM 1335 CB SER A 72 -8.262 1.434 11.690 1.00 0.56 C ATOM 1336 OG SER A 72 -9.282 0.765 12.414 1.00 1.26 O ATOM 0 H SER A 72 -6.201 2.375 10.760 1.00 0.45 H new ATOM 0 HA SER A 72 -6.679 0.487 12.795 1.00 0.49 H new ATOM 0 HB2 SER A 72 -8.130 2.438 12.092 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.568 1.545 10.650 1.00 0.56 H new ATOM 0 HG SER A 72 -10.116 1.276 12.352 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.872 -0.638 9.719 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.931 -1.849 8.914 1.00 0.38 C ATOM 1344 C LYS A 73 -5.656 -2.661 9.086 1.00 0.33 C ATOM 1345 O LYS A 73 -5.716 -3.855 9.336 1.00 0.38 O ATOM 1346 CB LYS A 73 -7.163 -1.506 7.443 1.00 0.44 C ATOM 1347 CG LYS A 73 -8.395 -0.646 7.219 1.00 0.62 C ATOM 1348 CD LYS A 73 -8.572 -0.284 5.757 1.00 0.78 C ATOM 1349 CE LYS A 73 -9.772 0.626 5.556 1.00 0.88 C ATOM 1350 NZ LYS A 73 -9.624 1.909 6.295 1.00 1.54 N ATOM 0 H LYS A 73 -6.692 0.213 9.186 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.771 -2.453 9.257 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -6.288 -0.985 7.055 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -7.263 -2.429 6.872 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -9.279 -1.178 7.571 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -8.315 0.265 7.812 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -7.672 0.211 5.391 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -8.699 -1.192 5.168 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -9.898 0.832 4.493 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -10.675 0.116 5.891 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -10.412 2.016 6.965 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -8.724 1.908 6.816 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -9.633 2.701 5.621 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.507 -2.017 8.999 1.00 0.28 N ATOM 1365 CA ILE A 74 -3.236 -2.706 9.206 1.00 0.28 C ATOM 1366 C ILE A 74 -3.146 -3.242 10.641 1.00 0.28 C ATOM 1367 O ILE A 74 -2.418 -4.190 10.930 1.00 0.30 O ATOM 1368 CB ILE A 74 -2.050 -1.771 8.887 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -2.114 -1.371 7.413 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.721 -2.440 9.202 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -1.022 -0.420 6.980 1.00 0.32 C ATOM 0 H ILE A 74 -4.422 -1.023 8.788 1.00 0.28 H new ATOM 0 HA ILE A 74 -3.186 -3.554 8.523 1.00 0.28 H new ATOM 0 HB ILE A 74 -2.122 -0.881 9.512 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -2.059 -2.272 6.801 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -3.081 -0.909 7.215 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.095 -1.757 8.967 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.685 -2.697 10.261 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.619 -3.346 8.605 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -1.141 -0.187 5.922 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -1.087 0.499 7.563 1.00 0.32 H new ATOM 0 HD13 ILE A 74 -0.049 -0.885 7.143 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.948 -2.653 11.514 1.00 0.31 N ATOM 1379 CA ALA A 75 -4.054 -3.092 12.905 1.00 0.32 C ATOM 1380 C ALA A 75 -4.823 -4.400 12.980 1.00 0.32 C ATOM 1381 O ALA A 75 -4.598 -5.235 13.857 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.773 -2.042 13.737 1.00 0.34 C ATOM 0 H ALA A 75 -4.544 -1.858 11.283 1.00 0.31 H new ATOM 0 HA ALA A 75 -3.048 -3.236 13.298 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.844 -2.383 14.770 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -4.216 -1.106 13.701 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.775 -1.884 13.337 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.737 -4.552 12.037 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.595 -5.716 11.944 1.00 0.32 C ATOM 1390 C ALA A 76 -5.938 -6.779 11.076 1.00 0.34 C ATOM 1391 O ALA A 76 -6.460 -7.880 10.905 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.930 -5.304 11.346 1.00 0.35 C ATOM 0 H ALA A 76 -5.905 -3.860 11.306 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.756 -6.131 12.939 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.581 -6.176 11.273 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.398 -4.554 11.983 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.770 -4.887 10.352 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.784 -6.430 10.534 1.00 0.34 N ATOM 1399 CA LEU A 77 -4.038 -7.311 9.659 1.00 0.31 C ATOM 1400 C LEU A 77 -3.048 -8.123 10.477 1.00 0.32 C ATOM 1401 O LEU A 77 -2.313 -7.572 11.301 1.00 0.33 O ATOM 1402 CB LEU A 77 -3.307 -6.472 8.606 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.852 -7.210 7.348 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.965 -8.105 6.826 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.450 -6.202 6.288 1.00 0.58 C ATOM 0 H LEU A 77 -4.339 -5.526 10.690 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.717 -7.999 9.155 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.962 -5.655 8.305 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.431 -6.023 9.074 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.995 -7.837 7.593 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.625 -8.624 5.930 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -4.232 -8.836 7.589 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.837 -7.498 6.585 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -2.125 -6.728 5.390 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -3.303 -5.567 6.048 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.633 -5.586 6.663 1.00 0.58 H new ATOM 1417 N GLY A 78 -3.047 -9.430 10.265 1.00 0.36 N ATOM 1418 CA GLY A 78 -2.165 -10.302 11.011 1.00 0.42 C ATOM 1419 C GLY A 78 -0.710 -10.040 10.685 1.00 0.46 C ATOM 1420 O GLY A 78 -0.407 -9.545 9.605 1.00 0.76 O ATOM 0 H GLY A 78 -3.644 -9.904 9.587 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -2.330 -10.159 12.079 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -2.406 -11.341 10.788 1.00 0.42 H new ATOM 1424 N PRO A 79 0.212 -10.370 11.608 1.00 0.66 N ATOM 1425 CA PRO A 79 1.651 -10.099 11.457 1.00 0.86 C ATOM 1426 C PRO A 79 2.208 -10.437 10.072 1.00 0.60 C ATOM 1427 O PRO A 79 3.018 -9.687 9.527 1.00 0.64 O ATOM 1428 CB PRO A 79 2.276 -11.005 12.512 1.00 1.32 C ATOM 1429 CG PRO A 79 1.254 -11.065 13.589 1.00 1.56 C ATOM 1430 CD PRO A 79 -0.080 -11.043 12.891 1.00 1.10 C ATOM 0 HA PRO A 79 1.867 -9.037 11.574 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.491 -11.995 12.110 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.218 -10.599 12.879 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.368 -11.970 14.186 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.353 -10.219 14.270 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.469 -12.050 12.737 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.826 -10.498 13.469 1.00 1.10 H new ATOM 1438 N GLU A 80 1.762 -11.551 9.503 1.00 0.51 N ATOM 1439 CA GLU A 80 2.262 -12.002 8.209 1.00 0.49 C ATOM 1440 C GLU A 80 1.942 -10.991 7.118 1.00 0.42 C ATOM 1441 O GLU A 80 2.776 -10.704 6.259 1.00 0.49 O ATOM 1442 CB GLU A 80 1.662 -13.361 7.847 1.00 0.70 C ATOM 1443 CG GLU A 80 2.166 -14.501 8.715 1.00 1.25 C ATOM 1444 CD GLU A 80 3.625 -14.827 8.460 1.00 1.79 C ATOM 1445 OE1 GLU A 80 3.914 -15.595 7.519 1.00 2.19 O ATOM 1446 OE2 GLU A 80 4.492 -14.308 9.196 1.00 2.52 O ATOM 0 H GLU A 80 1.055 -12.159 9.917 1.00 0.51 H new ATOM 0 HA GLU A 80 3.345 -12.099 8.285 1.00 0.49 H new ATOM 0 HB2 GLU A 80 0.577 -13.304 7.932 1.00 0.70 H new ATOM 0 HB3 GLU A 80 1.889 -13.582 6.804 1.00 0.70 H new ATOM 0 HG2 GLU A 80 2.034 -14.239 9.765 1.00 1.25 H new ATOM 0 HG3 GLU A 80 1.561 -15.389 8.530 1.00 1.25 H new ATOM 1453 N ALA A 81 0.738 -10.441 7.166 1.00 0.36 N ATOM 1454 CA ALA A 81 0.306 -9.506 6.139 1.00 0.34 C ATOM 1455 C ALA A 81 0.603 -8.066 6.549 1.00 0.31 C ATOM 1456 O ALA A 81 0.897 -7.214 5.712 1.00 0.32 O ATOM 1457 CB ALA A 81 -1.167 -9.706 5.830 1.00 0.36 C ATOM 0 H ALA A 81 0.050 -10.623 7.896 1.00 0.36 H new ATOM 0 HA ALA A 81 0.871 -9.705 5.228 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.476 -9.000 5.060 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -1.329 -10.724 5.475 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.754 -9.539 6.733 1.00 0.36 H new ATOM 1463 N LYS A 82 0.535 -7.814 7.852 1.00 0.31 N ATOM 1464 CA LYS A 82 0.817 -6.500 8.419 1.00 0.33 C ATOM 1465 C LYS A 82 2.245 -6.058 8.111 1.00 0.33 C ATOM 1466 O LYS A 82 2.487 -4.883 7.815 1.00 0.32 O ATOM 1467 CB LYS A 82 0.583 -6.526 9.934 1.00 0.41 C ATOM 1468 CG LYS A 82 0.932 -5.224 10.638 1.00 0.60 C ATOM 1469 CD LYS A 82 0.451 -5.216 12.082 1.00 0.86 C ATOM 1470 CE LYS A 82 1.057 -6.352 12.887 1.00 1.33 C ATOM 1471 NZ LYS A 82 0.651 -6.296 14.315 1.00 2.04 N ATOM 0 H LYS A 82 0.282 -8.517 8.546 1.00 0.31 H new ATOM 0 HA LYS A 82 0.140 -5.778 7.962 1.00 0.33 H new ATOM 0 HB2 LYS A 82 -0.464 -6.761 10.125 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.175 -7.332 10.369 1.00 0.41 H new ATOM 0 HG2 LYS A 82 2.012 -5.076 10.614 1.00 0.60 H new ATOM 0 HG3 LYS A 82 0.483 -4.389 10.101 1.00 0.60 H new ATOM 0 HD2 LYS A 82 0.710 -4.264 12.546 1.00 0.86 H new ATOM 0 HD3 LYS A 82 -0.636 -5.296 12.103 1.00 0.86 H new ATOM 0 HE2 LYS A 82 0.748 -7.306 12.459 1.00 1.33 H new ATOM 0 HE3 LYS A 82 2.144 -6.308 12.816 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 1.085 -7.088 14.831 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 0.968 -5.397 14.731 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 -0.384 -6.364 14.384 1.00 2.04 H new ATOM 1485 N GLY A 83 3.184 -6.997 8.175 1.00 0.37 N ATOM 1486 CA GLY A 83 4.564 -6.680 7.860 1.00 0.41 C ATOM 1487 C GLY A 83 4.720 -6.220 6.427 1.00 0.39 C ATOM 1488 O GLY A 83 5.408 -5.238 6.148 1.00 0.41 O ATOM 0 H GLY A 83 3.014 -7.968 8.438 1.00 0.37 H new ATOM 0 HA2 GLY A 83 4.921 -5.901 8.533 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.187 -7.558 8.030 1.00 0.41 H new ATOM 1492 N PHE A 84 4.061 -6.928 5.521 1.00 0.37 N ATOM 1493 CA PHE A 84 4.084 -6.586 4.108 1.00 0.37 C ATOM 1494 C PHE A 84 3.362 -5.272 3.842 1.00 0.34 C ATOM 1495 O PHE A 84 3.868 -4.425 3.107 1.00 0.37 O ATOM 1496 CB PHE A 84 3.447 -7.703 3.282 1.00 0.39 C ATOM 1497 CG PHE A 84 3.164 -7.318 1.857 1.00 0.74 C ATOM 1498 CD1 PHE A 84 4.205 -7.062 0.979 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.863 -7.225 1.393 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.952 -6.717 -0.334 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.605 -6.880 0.081 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.633 -6.587 -0.769 1.00 1.59 C ATOM 0 H PHE A 84 3.499 -7.750 5.743 1.00 0.37 H new ATOM 0 HA PHE A 84 5.127 -6.467 3.813 1.00 0.37 H new ATOM 0 HB2 PHE A 84 4.108 -8.570 3.290 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.515 -8.008 3.758 1.00 0.39 H new ATOM 0 HD1 PHE A 84 5.225 -7.133 1.325 1.00 0.71 H new ATOM 0 HD2 PHE A 84 1.041 -7.424 2.064 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.770 -6.549 -1.019 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.586 -6.842 -0.274 1.00 1.65 H new ATOM 0 HZ PHE A 84 2.425 -6.255 -1.776 1.00 1.59 H new ATOM 1512 N ALA A 85 2.184 -5.111 4.436 1.00 0.30 N ATOM 1513 CA ALA A 85 1.355 -3.932 4.203 1.00 0.30 C ATOM 1514 C ALA A 85 2.137 -2.650 4.426 1.00 0.32 C ATOM 1515 O ALA A 85 2.324 -1.870 3.503 1.00 0.41 O ATOM 1516 CB ALA A 85 0.130 -3.949 5.098 1.00 0.28 C ATOM 0 H ALA A 85 1.780 -5.785 5.086 1.00 0.30 H new ATOM 0 HA ALA A 85 1.035 -3.962 3.161 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.473 -3.061 4.907 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.461 -4.841 4.889 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.442 -3.958 6.142 1.00 0.28 H new ATOM 1522 N GLU A 86 2.639 -2.469 5.637 1.00 0.31 N ATOM 1523 CA GLU A 86 3.303 -1.219 5.992 1.00 0.37 C ATOM 1524 C GLU A 86 4.540 -0.996 5.133 1.00 0.44 C ATOM 1525 O GLU A 86 4.834 0.130 4.739 1.00 0.70 O ATOM 1526 CB GLU A 86 3.670 -1.183 7.472 1.00 0.43 C ATOM 1527 CG GLU A 86 2.461 -1.153 8.389 1.00 0.55 C ATOM 1528 CD GLU A 86 2.807 -0.718 9.796 1.00 0.95 C ATOM 1529 OE1 GLU A 86 3.331 -1.552 10.564 1.00 1.11 O ATOM 1530 OE2 GLU A 86 2.551 0.452 10.146 1.00 1.96 O ATOM 0 H GLU A 86 2.602 -3.161 6.385 1.00 0.31 H new ATOM 0 HA GLU A 86 2.598 -0.410 5.800 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.277 -2.057 7.710 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.286 -0.305 7.665 1.00 0.43 H new ATOM 0 HG2 GLU A 86 1.714 -0.475 7.977 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.009 -2.144 8.420 1.00 0.55 H new ATOM 1537 N LYS A 87 5.239 -2.080 4.816 1.00 0.41 N ATOM 1538 CA LYS A 87 6.443 -2.002 4.016 1.00 0.49 C ATOM 1539 C LYS A 87 6.114 -1.645 2.564 1.00 0.49 C ATOM 1540 O LYS A 87 6.800 -0.828 1.949 1.00 0.57 O ATOM 1541 CB LYS A 87 7.194 -3.330 4.092 1.00 0.57 C ATOM 1542 CG LYS A 87 8.605 -3.251 3.551 1.00 0.69 C ATOM 1543 CD LYS A 87 9.396 -4.519 3.837 1.00 1.25 C ATOM 1544 CE LYS A 87 9.628 -4.720 5.325 1.00 1.75 C ATOM 1545 NZ LYS A 87 10.426 -5.944 5.602 1.00 2.12 N ATOM 0 H LYS A 87 4.986 -3.025 5.105 1.00 0.41 H new ATOM 0 HA LYS A 87 7.079 -1.211 4.413 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.228 -3.661 5.130 1.00 0.57 H new ATOM 0 HB3 LYS A 87 6.640 -4.085 3.534 1.00 0.57 H new ATOM 0 HG2 LYS A 87 8.572 -3.079 2.475 1.00 0.69 H new ATOM 0 HG3 LYS A 87 9.116 -2.397 3.995 1.00 0.69 H new ATOM 0 HD2 LYS A 87 8.861 -5.379 3.434 1.00 1.25 H new ATOM 0 HD3 LYS A 87 10.356 -4.471 3.323 1.00 1.25 H new ATOM 0 HE2 LYS A 87 10.144 -3.851 5.733 1.00 1.75 H new ATOM 0 HE3 LYS A 87 8.668 -4.789 5.836 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 10.562 -6.045 6.628 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 9.922 -6.777 5.236 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 11.353 -5.867 5.136 1.00 2.12 H new ATOM 1559 N SER A 88 5.061 -2.244 2.021 1.00 0.46 N ATOM 1560 CA SER A 88 4.636 -1.927 0.662 1.00 0.51 C ATOM 1561 C SER A 88 4.056 -0.515 0.598 1.00 0.51 C ATOM 1562 O SER A 88 4.198 0.176 -0.413 1.00 0.57 O ATOM 1563 CB SER A 88 3.630 -2.961 0.145 1.00 0.56 C ATOM 1564 OG SER A 88 2.558 -3.143 1.052 1.00 0.48 O ATOM 0 H SER A 88 4.491 -2.945 2.494 1.00 0.46 H new ATOM 0 HA SER A 88 5.511 -1.965 0.013 1.00 0.51 H new ATOM 0 HB2 SER A 88 3.240 -2.639 -0.821 1.00 0.56 H new ATOM 0 HB3 SER A 88 4.136 -3.913 -0.017 1.00 0.56 H new ATOM 0 HG SER A 88 2.860 -3.685 1.811 1.00 0.48 H new ATOM 1570 N ILE A 89 3.417 -0.084 1.687 1.00 0.50 N ATOM 1571 CA ILE A 89 2.951 1.287 1.803 1.00 0.56 C ATOM 1572 C ILE A 89 4.133 2.246 1.688 1.00 0.55 C ATOM 1573 O ILE A 89 4.028 3.296 1.062 1.00 0.59 O ATOM 1574 CB ILE A 89 2.215 1.540 3.144 1.00 0.63 C ATOM 1575 CG1 ILE A 89 0.980 0.641 3.279 1.00 0.83 C ATOM 1576 CG2 ILE A 89 1.815 3.000 3.271 1.00 0.79 C ATOM 1577 CD1 ILE A 89 -0.026 0.780 2.156 1.00 1.09 C ATOM 0 H ILE A 89 3.213 -0.669 2.497 1.00 0.50 H new ATOM 0 HA ILE A 89 2.243 1.461 0.993 1.00 0.56 H new ATOM 0 HB ILE A 89 2.906 1.294 3.950 1.00 0.63 H new ATOM 0 HG12 ILE A 89 1.307 -0.398 3.330 1.00 0.83 H new ATOM 0 HG13 ILE A 89 0.484 0.866 4.223 1.00 0.83 H new ATOM 0 HG21 ILE A 89 1.300 3.155 4.219 1.00 0.79 H new ATOM 0 HG22 ILE A 89 2.707 3.626 3.236 1.00 0.79 H new ATOM 0 HG23 ILE A 89 1.151 3.268 2.449 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -0.865 0.108 2.334 1.00 1.09 H new ATOM 0 HD12 ILE A 89 -0.386 1.808 2.116 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.449 0.524 1.209 1.00 1.09 H new ATOM 1584 N GLU A 90 5.262 1.867 2.285 1.00 0.53 N ATOM 1585 CA GLU A 90 6.481 2.664 2.200 1.00 0.60 C ATOM 1586 C GLU A 90 6.922 2.809 0.751 1.00 0.56 C ATOM 1587 O GLU A 90 7.303 3.891 0.316 1.00 0.63 O ATOM 1588 CB GLU A 90 7.613 2.029 3.008 1.00 0.69 C ATOM 1589 CG GLU A 90 7.301 1.861 4.482 1.00 1.28 C ATOM 1590 CD GLU A 90 8.449 1.250 5.250 1.00 2.08 C ATOM 1591 OE1 GLU A 90 8.799 0.084 4.970 1.00 2.82 O ATOM 1592 OE2 GLU A 90 9.014 1.929 6.132 1.00 2.41 O ATOM 0 H GLU A 90 5.356 1.012 2.833 1.00 0.53 H new ATOM 0 HA GLU A 90 6.260 3.647 2.615 1.00 0.60 H new ATOM 0 HB2 GLU A 90 7.845 1.053 2.583 1.00 0.69 H new ATOM 0 HB3 GLU A 90 8.508 2.643 2.904 1.00 0.69 H new ATOM 0 HG2 GLU A 90 7.057 2.833 4.911 1.00 1.28 H new ATOM 0 HG3 GLU A 90 6.418 1.232 4.594 1.00 1.28 H new ATOM 1599 N ILE A 91 6.856 1.712 0.009 1.00 0.47 N ATOM 1600 CA ILE A 91 7.256 1.706 -1.389 1.00 0.46 C ATOM 1601 C ILE A 91 6.329 2.584 -2.229 1.00 0.47 C ATOM 1602 O ILE A 91 6.791 3.396 -3.035 1.00 0.51 O ATOM 1603 CB ILE A 91 7.278 0.271 -1.951 1.00 0.43 C ATOM 1604 CG1 ILE A 91 8.296 -0.580 -1.182 1.00 0.43 C ATOM 1605 CG2 ILE A 91 7.607 0.287 -3.438 1.00 0.49 C ATOM 1606 CD1 ILE A 91 8.309 -2.038 -1.586 1.00 0.45 C ATOM 0 H ILE A 91 6.527 0.811 0.356 1.00 0.47 H new ATOM 0 HA ILE A 91 8.265 2.116 -1.444 1.00 0.46 H new ATOM 0 HB ILE A 91 6.289 -0.171 -1.825 1.00 0.43 H new ATOM 0 HG12 ILE A 91 9.291 -0.163 -1.334 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.080 -0.511 -0.116 1.00 0.43 H new ATOM 0 HG21 ILE A 91 7.619 -0.734 -3.819 1.00 0.49 H new ATOM 0 HG22 ILE A 91 6.852 0.865 -3.971 1.00 0.49 H new ATOM 0 HG23 ILE A 91 8.586 0.742 -3.589 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.055 -2.572 -0.997 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.326 -2.474 -1.408 1.00 0.45 H new ATOM 0 HD13 ILE A 91 8.556 -2.120 -2.645 1.00 0.45 H new ATOM 1613 N ALA A 92 5.022 2.440 -2.025 1.00 0.47 N ATOM 1614 CA ALA A 92 4.050 3.236 -2.766 1.00 0.53 C ATOM 1615 C ALA A 92 4.134 4.701 -2.350 1.00 0.60 C ATOM 1616 O ALA A 92 3.890 5.607 -3.149 1.00 0.64 O ATOM 1617 CB ALA A 92 2.644 2.692 -2.562 1.00 0.56 C ATOM 0 H ALA A 92 4.615 1.785 -1.358 1.00 0.47 H new ATOM 0 HA ALA A 92 4.285 3.170 -3.828 1.00 0.53 H new ATOM 0 HB1 ALA A 92 1.934 3.300 -3.123 1.00 0.56 H new ATOM 0 HB2 ALA A 92 2.598 1.662 -2.915 1.00 0.56 H new ATOM 0 HB3 ALA A 92 2.392 2.725 -1.502 1.00 0.56 H new ATOM 1623 N ARG A 93 4.485 4.926 -1.090 1.00 0.66 N ATOM 1624 CA ARG A 93 4.720 6.275 -0.600 1.00 0.77 C ATOM 1625 C ARG A 93 5.987 6.845 -1.205 1.00 0.68 C ATOM 1626 O ARG A 93 6.042 8.028 -1.503 1.00 0.68 O ATOM 1627 CB ARG A 93 4.823 6.320 0.928 1.00 0.99 C ATOM 1628 CG ARG A 93 3.485 6.262 1.647 1.00 1.55 C ATOM 1629 CD ARG A 93 3.640 6.553 3.135 1.00 1.83 C ATOM 1630 NE ARG A 93 4.402 5.516 3.835 1.00 2.71 N ATOM 1631 CZ ARG A 93 5.460 5.758 4.618 1.00 3.44 C ATOM 1632 NH1 ARG A 93 5.967 6.983 4.714 1.00 3.55 N ATOM 1633 NH2 ARG A 93 6.028 4.764 5.290 1.00 4.42 N ATOM 0 H ARG A 93 4.612 4.193 -0.392 1.00 0.66 H new ATOM 0 HA ARG A 93 3.863 6.878 -0.902 1.00 0.77 H new ATOM 0 HB2 ARG A 93 5.439 5.486 1.264 1.00 0.99 H new ATOM 0 HB3 ARG A 93 5.339 7.235 1.219 1.00 0.99 H new ATOM 0 HG2 ARG A 93 2.800 6.984 1.203 1.00 1.55 H new ATOM 0 HG3 ARG A 93 3.040 5.276 1.512 1.00 1.55 H new ATOM 0 HD2 ARG A 93 4.138 7.514 3.264 1.00 1.83 H new ATOM 0 HD3 ARG A 93 2.653 6.642 3.589 1.00 1.83 H new ATOM 0 HE ARG A 93 4.107 4.547 3.718 1.00 2.71 H new ATOM 0 HH11 ARG A 93 5.549 7.750 4.188 1.00 3.55 H new ATOM 0 HH12 ARG A 93 6.774 7.156 5.314 1.00 3.55 H new ATOM 0 HH21 ARG A 93 5.658 3.817 5.209 1.00 4.42 H new ATOM 0 HH22 ARG A 93 6.834 4.947 5.887 1.00 4.42 H new ATOM 1647 N GLY A 94 6.991 5.995 -1.400 1.00 0.66 N ATOM 1648 CA GLY A 94 8.279 6.442 -1.897 1.00 0.65 C ATOM 1649 C GLY A 94 8.208 7.008 -3.298 1.00 0.56 C ATOM 1650 O GLY A 94 8.822 8.037 -3.585 1.00 0.56 O ATOM 0 H GLY A 94 6.933 4.993 -1.220 1.00 0.66 H new ATOM 0 HA2 GLY A 94 8.678 7.201 -1.224 1.00 0.65 H new ATOM 0 HA3 GLY A 94 8.978 5.605 -1.884 1.00 0.65 H new ATOM 1654 N ILE A 95 7.452 6.349 -4.170 1.00 0.52 N ATOM 1655 CA ILE A 95 7.294 6.808 -5.545 1.00 0.48 C ATOM 1656 C ILE A 95 6.709 8.216 -5.575 1.00 0.47 C ATOM 1657 O ILE A 95 7.235 9.111 -6.236 1.00 0.49 O ATOM 1658 CB ILE A 95 6.387 5.856 -6.354 1.00 0.50 C ATOM 1659 CG1 ILE A 95 7.022 4.464 -6.449 1.00 0.53 C ATOM 1660 CG2 ILE A 95 6.117 6.417 -7.744 1.00 0.52 C ATOM 1661 CD1 ILE A 95 8.373 4.457 -7.133 1.00 0.55 C ATOM 0 H ILE A 95 6.939 5.495 -3.949 1.00 0.52 H new ATOM 0 HA ILE A 95 8.283 6.817 -6.003 1.00 0.48 H new ATOM 0 HB ILE A 95 5.434 5.767 -5.833 1.00 0.50 H new ATOM 0 HG12 ILE A 95 7.131 4.055 -5.445 1.00 0.53 H new ATOM 0 HG13 ILE A 95 6.347 3.802 -6.991 1.00 0.53 H new ATOM 0 HG21 ILE A 95 5.476 5.729 -8.296 1.00 0.52 H new ATOM 0 HG22 ILE A 95 5.621 7.384 -7.656 1.00 0.52 H new ATOM 0 HG23 ILE A 95 7.060 6.540 -8.276 1.00 0.52 H new ATOM 0 HD11 ILE A 95 8.760 3.439 -7.163 1.00 0.55 H new ATOM 0 HD12 ILE A 95 8.268 4.836 -8.150 1.00 0.55 H new ATOM 0 HD13 ILE A 95 9.065 5.092 -6.579 1.00 0.55 H new ATOM 1668 N LYS A 96 5.636 8.411 -4.827 1.00 0.50 N ATOM 1669 CA LYS A 96 4.989 9.711 -4.749 1.00 0.54 C ATOM 1670 C LYS A 96 5.711 10.630 -3.766 1.00 0.57 C ATOM 1671 O LYS A 96 5.419 11.817 -3.715 1.00 0.83 O ATOM 1672 CB LYS A 96 3.509 9.566 -4.374 1.00 0.64 C ATOM 1673 CG LYS A 96 3.280 9.048 -2.962 1.00 1.47 C ATOM 1674 CD LYS A 96 1.798 8.902 -2.655 1.00 1.78 C ATOM 1675 CE LYS A 96 1.562 8.530 -1.199 1.00 1.90 C ATOM 1676 NZ LYS A 96 2.160 9.525 -0.266 1.00 2.70 N ATOM 0 H LYS A 96 5.194 7.685 -4.264 1.00 0.50 H new ATOM 0 HA LYS A 96 5.045 10.169 -5.737 1.00 0.54 H new ATOM 0 HB2 LYS A 96 3.021 10.535 -4.479 1.00 0.64 H new ATOM 0 HB3 LYS A 96 3.029 8.889 -5.081 1.00 0.64 H new ATOM 0 HG2 LYS A 96 3.774 8.084 -2.843 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.736 9.731 -2.245 1.00 1.47 H new ATOM 0 HD2 LYS A 96 1.285 9.837 -2.880 1.00 1.78 H new ATOM 0 HD3 LYS A 96 1.365 8.138 -3.301 1.00 1.78 H new ATOM 0 HE2 LYS A 96 0.491 8.456 -1.013 1.00 1.90 H new ATOM 0 HE3 LYS A 96 1.988 7.546 -1.002 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 1.642 9.510 0.636 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 3.158 9.286 -0.096 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 2.098 10.475 -0.685 1.00 2.70 H new ATOM 1690 N ALA A 97 6.677 10.102 -3.032 1.00 0.50 N ATOM 1691 CA ALA A 97 7.507 10.930 -2.161 1.00 0.53 C ATOM 1692 C ALA A 97 8.539 11.671 -2.982 1.00 0.46 C ATOM 1693 O ALA A 97 8.816 12.848 -2.750 1.00 0.48 O ATOM 1694 CB ALA A 97 8.194 10.088 -1.096 1.00 0.63 C ATOM 0 H ALA A 97 6.908 9.109 -3.019 1.00 0.50 H new ATOM 0 HA ALA A 97 6.861 11.650 -1.659 1.00 0.53 H new ATOM 0 HB1 ALA A 97 8.805 10.731 -0.462 1.00 0.63 H new ATOM 0 HB2 ALA A 97 7.442 9.587 -0.487 1.00 0.63 H new ATOM 0 HB3 ALA A 97 8.828 9.342 -1.575 1.00 0.63 H new ATOM 1700 N ARG A 98 9.090 10.981 -3.964 1.00 0.41 N ATOM 1701 CA ARG A 98 10.032 11.595 -4.881 1.00 0.44 C ATOM 1702 C ARG A 98 9.276 12.246 -6.032 1.00 0.44 C ATOM 1703 O ARG A 98 9.864 12.648 -7.028 1.00 0.53 O ATOM 1704 CB ARG A 98 11.056 10.570 -5.375 1.00 0.51 C ATOM 1705 CG ARG A 98 10.429 9.395 -6.110 1.00 1.02 C ATOM 1706 CD ARG A 98 11.374 8.207 -6.187 1.00 0.81 C ATOM 1707 NE ARG A 98 11.647 7.647 -4.863 1.00 1.51 N ATOM 1708 CZ ARG A 98 11.765 6.345 -4.604 1.00 1.94 C ATOM 1709 NH1 ARG A 98 11.656 5.444 -5.576 1.00 1.37 N ATOM 1710 NH2 ARG A 98 11.996 5.939 -3.362 1.00 3.10 N ATOM 0 H ARG A 98 8.901 9.995 -4.147 1.00 0.41 H new ATOM 0 HA ARG A 98 10.589 12.373 -4.359 1.00 0.44 H new ATOM 0 HB2 ARG A 98 11.765 11.066 -6.037 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.624 10.195 -4.523 1.00 0.51 H new ATOM 0 HG2 ARG A 98 9.511 9.097 -5.603 1.00 1.02 H new ATOM 0 HG3 ARG A 98 10.150 9.704 -7.118 1.00 1.02 H new ATOM 0 HD2 ARG A 98 10.940 7.437 -6.825 1.00 0.81 H new ATOM 0 HD3 ARG A 98 12.310 8.516 -6.652 1.00 0.81 H new ATOM 0 HE ARG A 98 11.754 8.298 -4.085 1.00 1.51 H new ATOM 0 HH11 ARG A 98 11.480 5.746 -6.534 1.00 1.37 H new ATOM 0 HH12 ARG A 98 11.749 4.451 -5.363 1.00 1.37 H new ATOM 0 HH21 ARG A 98 12.083 6.622 -2.610 1.00 3.10 H new ATOM 0 HH22 ARG A 98 12.087 4.943 -3.159 1.00 3.10 H new ATOM 1724 N TYR A 99 7.960 12.319 -5.884 1.00 0.44 N ATOM 1725 CA TYR A 99 7.140 13.217 -6.687 1.00 0.50 C ATOM 1726 C TYR A 99 6.839 14.495 -5.901 1.00 0.54 C ATOM 1727 O TYR A 99 6.879 15.591 -6.460 1.00 0.64 O ATOM 1728 CB TYR A 99 5.828 12.552 -7.104 1.00 0.53 C ATOM 1729 CG TYR A 99 5.893 11.804 -8.418 1.00 0.59 C ATOM 1730 CD1 TYR A 99 6.360 12.419 -9.573 1.00 0.73 C ATOM 1731 CD2 TYR A 99 5.496 10.476 -8.499 1.00 0.60 C ATOM 1732 CE1 TYR A 99 6.425 11.734 -10.771 1.00 0.85 C ATOM 1733 CE2 TYR A 99 5.559 9.783 -9.693 1.00 0.71 C ATOM 1734 CZ TYR A 99 6.005 10.442 -10.841 1.00 0.83 C ATOM 1735 OH TYR A 99 6.079 9.731 -12.018 1.00 0.97 O ATOM 0 H TYR A 99 7.434 11.763 -5.210 1.00 0.44 H new ATOM 0 HA TYR A 99 7.700 13.463 -7.589 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.522 11.859 -6.321 1.00 0.53 H new ATOM 0 HB3 TYR A 99 5.054 13.316 -7.174 1.00 0.53 H new ATOM 0 HD1 TYR A 99 6.678 13.450 -9.534 1.00 0.73 H new ATOM 0 HD2 TYR A 99 5.132 9.976 -7.614 1.00 0.60 H new ATOM 0 HE1 TYR A 99 6.810 12.225 -11.653 1.00 0.85 H new ATOM 0 HE2 TYR A 99 5.267 8.744 -9.738 1.00 0.71 H new ATOM 0 HH TYR A 99 5.734 8.825 -11.875 1.00 0.97 H new ATOM 1745 N TYR A 100 6.562 14.351 -4.593 1.00 0.51 N ATOM 1746 CA TYR A 100 6.227 15.498 -3.736 1.00 0.58 C ATOM 1747 C TYR A 100 7.310 16.561 -3.791 1.00 0.58 C ATOM 1748 O TYR A 100 7.027 17.758 -3.806 1.00 0.71 O ATOM 1749 CB TYR A 100 6.056 15.085 -2.267 1.00 0.57 C ATOM 1750 CG TYR A 100 4.815 14.279 -1.959 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.570 14.645 -2.449 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.895 13.146 -1.169 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.444 13.897 -2.160 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.780 12.394 -0.876 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.558 12.773 -1.372 1.00 1.21 C ATOM 1756 OH TYR A 100 1.444 12.019 -1.083 1.00 1.48 O ATOM 0 H TYR A 100 6.564 13.453 -4.109 1.00 0.51 H new ATOM 0 HA TYR A 100 5.286 15.894 -4.119 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.929 14.505 -1.967 1.00 0.57 H new ATOM 0 HB3 TYR A 100 6.045 15.986 -1.653 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.479 15.527 -3.065 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.854 12.845 -0.773 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.481 14.192 -2.550 1.00 1.26 H new ATOM 0 HE2 TYR A 100 3.866 11.511 -0.260 1.00 1.16 H new ATOM 0 HH TYR A 100 1.300 12.007 -0.114 1.00 1.48 H new ATOM 1766 N THR A 101 8.551 16.102 -3.828 1.00 0.55 N ATOM 1767 CA THR A 101 9.717 16.966 -3.748 1.00 0.66 C ATOM 1768 C THR A 101 9.918 17.809 -5.008 1.00 0.71 C ATOM 1769 O THR A 101 10.848 18.609 -5.083 1.00 0.71 O ATOM 1770 CB THR A 101 10.973 16.114 -3.509 1.00 0.71 C ATOM 1771 OG1 THR A 101 11.009 15.031 -4.450 1.00 0.65 O ATOM 1772 CG2 THR A 101 10.985 15.564 -2.087 1.00 0.87 C ATOM 0 H THR A 101 8.779 15.112 -3.915 1.00 0.55 H new ATOM 0 HA THR A 101 9.549 17.652 -2.918 1.00 0.66 H new ATOM 0 HB THR A 101 11.853 16.743 -3.645 1.00 0.71 H new ATOM 0 HG1 THR A 101 11.812 14.491 -4.296 1.00 0.65 H new ATOM 0 HG21 THR A 101 11.882 14.963 -1.937 1.00 0.87 H new ATOM 0 HG22 THR A 101 10.979 16.391 -1.377 1.00 0.87 H new ATOM 0 HG23 THR A 101 10.103 14.944 -1.929 1.00 0.87 H new ATOM 1780 N GLY A 102 9.056 17.622 -5.999 1.00 0.82 N ATOM 1781 CA GLY A 102 9.225 18.308 -7.263 1.00 0.95 C ATOM 1782 C GLY A 102 10.077 17.500 -8.219 1.00 0.95 C ATOM 1783 O GLY A 102 10.379 17.936 -9.331 1.00 1.16 O ATOM 0 H GLY A 102 8.243 17.008 -5.949 1.00 0.82 H new ATOM 0 HA2 GLY A 102 8.249 18.494 -7.711 1.00 0.95 H new ATOM 0 HA3 GLY A 102 9.688 19.280 -7.092 1.00 0.95 H new ATOM 1787 N ASN A 103 10.469 16.319 -7.768 1.00 0.82 N ATOM 1788 CA ASN A 103 11.247 15.402 -8.585 1.00 0.89 C ATOM 1789 C ASN A 103 10.294 14.485 -9.350 1.00 0.98 C ATOM 1790 O ASN A 103 9.089 14.486 -9.087 1.00 1.83 O ATOM 1791 CB ASN A 103 12.205 14.586 -7.701 1.00 0.90 C ATOM 1792 CG ASN A 103 13.127 13.673 -8.492 1.00 1.28 C ATOM 1793 OD1 ASN A 103 13.500 13.974 -9.630 1.00 1.76 O ATOM 1794 ND2 ASN A 103 13.504 12.551 -7.897 1.00 1.65 N ATOM 0 H ASN A 103 10.259 15.971 -6.832 1.00 0.82 H new ATOM 0 HA ASN A 103 11.849 15.964 -9.299 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.808 15.270 -7.104 1.00 0.90 H new ATOM 0 HB3 ASN A 103 11.621 13.985 -7.004 1.00 0.90 H new ATOM 0 HD21 ASN A 103 14.124 11.901 -8.380 1.00 1.65 H new ATOM 0 HD22 ASN A 103 13.175 12.337 -6.956 1.00 1.65 H new ATOM 1801 N GLU A 104 10.820 13.726 -10.295 1.00 0.56 N ATOM 1802 CA GLU A 104 10.005 12.833 -11.100 1.00 0.56 C ATOM 1803 C GLU A 104 10.749 11.533 -11.386 1.00 0.49 C ATOM 1804 O GLU A 104 11.696 11.513 -12.174 1.00 0.55 O ATOM 1805 CB GLU A 104 9.622 13.514 -12.414 1.00 0.67 C ATOM 1806 CG GLU A 104 8.728 14.726 -12.226 1.00 0.80 C ATOM 1807 CD GLU A 104 8.519 15.495 -13.511 1.00 1.15 C ATOM 1808 OE1 GLU A 104 7.822 14.972 -14.406 1.00 1.75 O ATOM 1809 OE2 GLU A 104 9.043 16.622 -13.635 1.00 1.17 O ATOM 0 H GLU A 104 11.814 13.710 -10.525 1.00 0.56 H new ATOM 0 HA GLU A 104 9.099 12.597 -10.541 1.00 0.56 H new ATOM 0 HB2 GLU A 104 10.530 13.819 -12.935 1.00 0.67 H new ATOM 0 HB3 GLU A 104 9.114 12.793 -13.054 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.762 14.404 -11.837 1.00 0.80 H new ATOM 0 HG3 GLU A 104 9.168 15.386 -11.479 1.00 0.80 H new ATOM 1816 N PRO A 105 10.354 10.438 -10.722 1.00 0.44 N ATOM 1817 CA PRO A 105 10.907 9.111 -10.997 1.00 0.44 C ATOM 1818 C PRO A 105 10.557 8.647 -12.402 1.00 0.42 C ATOM 1819 O PRO A 105 9.445 8.896 -12.883 1.00 0.47 O ATOM 1820 CB PRO A 105 10.228 8.210 -9.959 1.00 0.48 C ATOM 1821 CG PRO A 105 9.019 8.953 -9.516 1.00 0.53 C ATOM 1822 CD PRO A 105 9.356 10.410 -9.640 1.00 0.49 C ATOM 0 HA PRO A 105 11.995 9.097 -10.936 1.00 0.44 H new ATOM 0 HB2 PRO A 105 9.959 7.246 -10.392 1.00 0.48 H new ATOM 0 HB3 PRO A 105 10.894 8.008 -9.120 1.00 0.48 H new ATOM 0 HG2 PRO A 105 8.157 8.699 -10.133 1.00 0.53 H new ATOM 0 HG3 PRO A 105 8.761 8.699 -8.488 1.00 0.53 H new ATOM 0 HD2 PRO A 105 8.478 11.006 -9.888 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.760 10.810 -8.710 1.00 0.49 H new ATOM 1830 N THR A 106 11.490 7.993 -13.070 1.00 0.42 N ATOM 1831 CA THR A 106 11.208 7.415 -14.368 1.00 0.42 C ATOM 1832 C THR A 106 10.318 6.191 -14.185 1.00 0.39 C ATOM 1833 O THR A 106 10.234 5.644 -13.084 1.00 0.41 O ATOM 1834 CB THR A 106 12.507 7.027 -15.113 1.00 0.50 C ATOM 1835 OG1 THR A 106 12.204 6.502 -16.412 1.00 1.48 O ATOM 1836 CG2 THR A 106 13.299 6.001 -14.323 1.00 1.05 C ATOM 0 H THR A 106 12.443 7.850 -12.736 1.00 0.42 H new ATOM 0 HA THR A 106 10.695 8.160 -14.976 1.00 0.42 H new ATOM 0 HB THR A 106 13.110 7.928 -15.222 1.00 0.50 H new ATOM 0 HG1 THR A 106 13.036 6.263 -16.871 1.00 1.48 H new ATOM 0 HG21 THR A 106 14.208 5.745 -14.868 1.00 1.05 H new ATOM 0 HG22 THR A 106 13.564 6.416 -13.351 1.00 1.05 H new ATOM 0 HG23 THR A 106 12.695 5.105 -14.183 1.00 1.05 H new ATOM 1844 N LYS A 107 9.651 5.760 -15.246 1.00 0.39 N ATOM 1845 CA LYS A 107 8.733 4.630 -15.156 1.00 0.39 C ATOM 1846 C LYS A 107 9.469 3.352 -14.747 1.00 0.36 C ATOM 1847 O LYS A 107 8.857 2.398 -14.267 1.00 0.38 O ATOM 1848 CB LYS A 107 7.993 4.429 -16.482 1.00 0.43 C ATOM 1849 CG LYS A 107 8.910 4.189 -17.669 1.00 1.33 C ATOM 1850 CD LYS A 107 8.138 3.970 -18.966 1.00 1.66 C ATOM 1851 CE LYS A 107 7.659 5.277 -19.597 1.00 2.22 C ATOM 1852 NZ LYS A 107 6.586 5.944 -18.809 1.00 2.88 N ATOM 0 H LYS A 107 9.726 6.172 -16.176 1.00 0.39 H new ATOM 0 HA LYS A 107 7.998 4.854 -14.383 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.314 3.582 -16.383 1.00 0.43 H new ATOM 0 HB3 LYS A 107 7.380 5.308 -16.681 1.00 0.43 H new ATOM 0 HG2 LYS A 107 9.578 5.042 -17.787 1.00 1.33 H new ATOM 0 HG3 LYS A 107 9.536 3.319 -17.471 1.00 1.33 H new ATOM 0 HD2 LYS A 107 8.773 3.440 -19.676 1.00 1.66 H new ATOM 0 HD3 LYS A 107 7.278 3.331 -18.768 1.00 1.66 H new ATOM 0 HE2 LYS A 107 8.505 5.957 -19.697 1.00 2.22 H new ATOM 0 HE3 LYS A 107 7.291 5.075 -20.603 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 5.900 6.381 -19.457 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 6.102 5.240 -18.216 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 7.005 6.678 -18.203 1.00 2.88 H new ATOM 1866 N ASP A 108 10.787 3.346 -14.934 1.00 0.36 N ATOM 1867 CA ASP A 108 11.619 2.223 -14.507 1.00 0.38 C ATOM 1868 C ASP A 108 11.638 2.131 -12.984 1.00 0.36 C ATOM 1869 O ASP A 108 11.556 1.041 -12.417 1.00 0.38 O ATOM 1870 CB ASP A 108 13.046 2.377 -15.031 1.00 0.47 C ATOM 1871 CG ASP A 108 13.924 1.192 -14.672 1.00 1.29 C ATOM 1872 OD1 ASP A 108 14.480 1.180 -13.557 1.00 2.24 O ATOM 1873 OD2 ASP A 108 14.061 0.268 -15.502 1.00 1.26 O ATOM 0 H ASP A 108 11.302 4.106 -15.378 1.00 0.36 H new ATOM 0 HA ASP A 108 11.192 1.308 -14.918 1.00 0.38 H new ATOM 0 HB2 ASP A 108 13.022 2.493 -16.115 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.484 3.288 -14.622 1.00 0.47 H new ATOM 1878 N ASP A 109 11.727 3.292 -12.333 1.00 0.36 N ATOM 1879 CA ASP A 109 11.709 3.370 -10.876 1.00 0.37 C ATOM 1880 C ASP A 109 10.431 2.757 -10.333 1.00 0.34 C ATOM 1881 O ASP A 109 10.439 2.033 -9.339 1.00 0.36 O ATOM 1882 CB ASP A 109 11.795 4.829 -10.428 1.00 0.39 C ATOM 1883 CG ASP A 109 12.131 4.947 -8.954 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.035 4.233 -8.477 1.00 0.94 O ATOM 1885 OD2 ASP A 109 11.477 5.757 -8.260 1.00 1.73 O ATOM 0 H ASP A 109 11.813 4.196 -12.798 1.00 0.36 H new ATOM 0 HA ASP A 109 12.567 2.819 -10.490 1.00 0.37 H new ATOM 0 HB2 ASP A 109 12.554 5.346 -11.016 1.00 0.39 H new ATOM 0 HB3 ASP A 109 10.845 5.326 -10.625 1.00 0.39 H new ATOM 1890 N LEU A 110 9.330 3.057 -11.018 1.00 0.30 N ATOM 1891 CA LEU A 110 8.023 2.534 -10.656 1.00 0.30 C ATOM 1892 C LEU A 110 7.994 1.020 -10.815 1.00 0.29 C ATOM 1893 O LEU A 110 7.608 0.306 -9.892 1.00 0.33 O ATOM 1894 CB LEU A 110 6.922 3.175 -11.514 1.00 0.30 C ATOM 1895 CG LEU A 110 6.418 4.549 -11.047 1.00 0.38 C ATOM 1896 CD1 LEU A 110 7.541 5.570 -11.015 1.00 0.82 C ATOM 1897 CD2 LEU A 110 5.294 5.037 -11.947 1.00 0.82 C ATOM 0 H LEU A 110 9.322 3.667 -11.835 1.00 0.30 H new ATOM 0 HA LEU A 110 7.836 2.783 -9.611 1.00 0.30 H new ATOM 0 HB2 LEU A 110 7.295 3.274 -12.533 1.00 0.30 H new ATOM 0 HB3 LEU A 110 6.073 2.492 -11.550 1.00 0.30 H new ATOM 0 HG LEU A 110 6.037 4.434 -10.032 1.00 0.38 H new ATOM 0 HD11 LEU A 110 7.150 6.531 -10.680 1.00 0.82 H new ATOM 0 HD12 LEU A 110 8.318 5.235 -10.328 1.00 0.82 H new ATOM 0 HD13 LEU A 110 7.963 5.678 -12.014 1.00 0.82 H new ATOM 0 HD21 LEU A 110 4.949 6.012 -11.602 1.00 0.82 H new ATOM 0 HD22 LEU A 110 5.659 5.123 -12.971 1.00 0.82 H new ATOM 0 HD23 LEU A 110 4.468 4.327 -11.915 1.00 0.82 H new ATOM 1909 N LYS A 111 8.421 0.538 -11.983 1.00 0.28 N ATOM 1910 CA LYS A 111 8.458 -0.898 -12.253 1.00 0.31 C ATOM 1911 C LYS A 111 9.232 -1.635 -11.171 1.00 0.33 C ATOM 1912 O LYS A 111 8.726 -2.584 -10.574 1.00 0.35 O ATOM 1913 CB LYS A 111 9.100 -1.189 -13.610 1.00 0.37 C ATOM 1914 CG LYS A 111 8.248 -0.783 -14.796 1.00 0.93 C ATOM 1915 CD LYS A 111 8.839 -1.307 -16.093 1.00 0.92 C ATOM 1916 CE LYS A 111 7.951 -0.983 -17.278 1.00 1.02 C ATOM 1917 NZ LYS A 111 7.831 0.482 -17.494 1.00 1.74 N ATOM 0 H LYS A 111 8.745 1.120 -12.755 1.00 0.28 H new ATOM 0 HA LYS A 111 7.426 -1.249 -12.263 1.00 0.31 H new ATOM 0 HB2 LYS A 111 10.056 -0.668 -13.667 1.00 0.37 H new ATOM 0 HB3 LYS A 111 9.314 -2.256 -13.678 1.00 0.37 H new ATOM 0 HG2 LYS A 111 7.236 -1.169 -14.671 1.00 0.93 H new ATOM 0 HG3 LYS A 111 8.172 0.303 -14.839 1.00 0.93 H new ATOM 0 HD2 LYS A 111 9.826 -0.871 -16.247 1.00 0.92 H new ATOM 0 HD3 LYS A 111 8.974 -2.386 -16.023 1.00 0.92 H new ATOM 0 HE2 LYS A 111 8.357 -1.450 -18.175 1.00 1.02 H new ATOM 0 HE3 LYS A 111 6.961 -1.409 -17.117 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 7.361 0.661 -18.404 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 7.270 0.901 -16.725 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 8.779 0.910 -17.504 1.00 1.74 H new ATOM 1931 N ALA A 112 10.451 -1.177 -10.916 1.00 0.36 N ATOM 1932 CA ALA A 112 11.320 -1.796 -9.926 1.00 0.42 C ATOM 1933 C ALA A 112 10.679 -1.788 -8.544 1.00 0.43 C ATOM 1934 O ALA A 112 10.763 -2.768 -7.802 1.00 0.47 O ATOM 1935 CB ALA A 112 12.660 -1.083 -9.888 1.00 0.46 C ATOM 0 H ALA A 112 10.862 -0.371 -11.387 1.00 0.36 H new ATOM 0 HA ALA A 112 11.476 -2.835 -10.217 1.00 0.42 H new ATOM 0 HB1 ALA A 112 13.302 -1.554 -9.144 1.00 0.46 H new ATOM 0 HB2 ALA A 112 13.133 -1.146 -10.868 1.00 0.46 H new ATOM 0 HB3 ALA A 112 12.508 -0.036 -9.625 1.00 0.46 H new ATOM 1941 N SER A 113 10.031 -0.683 -8.204 1.00 0.41 N ATOM 1942 CA SER A 113 9.388 -0.547 -6.907 1.00 0.45 C ATOM 1943 C SER A 113 8.207 -1.505 -6.762 1.00 0.40 C ATOM 1944 O SER A 113 8.023 -2.104 -5.705 1.00 0.44 O ATOM 1945 CB SER A 113 8.941 0.896 -6.689 1.00 0.54 C ATOM 1946 OG SER A 113 10.060 1.771 -6.666 1.00 1.34 O ATOM 0 H SER A 113 9.937 0.132 -8.810 1.00 0.41 H new ATOM 0 HA SER A 113 10.118 -0.810 -6.141 1.00 0.45 H new ATOM 0 HB2 SER A 113 8.257 1.194 -7.483 1.00 0.54 H new ATOM 0 HB3 SER A 113 8.393 0.974 -5.750 1.00 0.54 H new ATOM 0 HG SER A 113 10.346 1.960 -7.584 1.00 1.34 H new ATOM 1952 N VAL A 114 7.433 -1.693 -7.828 1.00 0.36 N ATOM 1953 CA VAL A 114 6.259 -2.557 -7.765 1.00 0.36 C ATOM 1954 C VAL A 114 6.700 -4.016 -7.833 1.00 0.35 C ATOM 1955 O VAL A 114 6.139 -4.890 -7.172 1.00 0.37 O ATOM 1956 CB VAL A 114 5.276 -2.257 -8.918 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.027 -3.118 -8.806 1.00 0.65 C ATOM 1958 CG2 VAL A 114 4.906 -0.781 -8.934 1.00 0.56 C ATOM 0 H VAL A 114 7.596 -1.262 -8.738 1.00 0.36 H new ATOM 0 HA VAL A 114 5.743 -2.365 -6.824 1.00 0.36 H new ATOM 0 HB VAL A 114 5.772 -2.500 -9.857 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.351 -2.887 -9.630 1.00 0.65 H new ATOM 0 HG12 VAL A 114 4.306 -4.171 -8.849 1.00 0.65 H new ATOM 0 HG13 VAL A 114 3.528 -2.913 -7.859 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.213 -0.589 -9.753 1.00 0.56 H new ATOM 0 HG22 VAL A 114 4.434 -0.514 -7.989 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.806 -0.182 -9.072 1.00 0.56 H new ATOM 1962 N LYS A 115 7.722 -4.252 -8.650 1.00 0.35 N ATOM 1963 CA LYS A 115 8.381 -5.542 -8.749 1.00 0.37 C ATOM 1964 C LYS A 115 8.845 -6.015 -7.382 1.00 0.35 C ATOM 1965 O LYS A 115 8.724 -7.194 -7.050 1.00 0.37 O ATOM 1966 CB LYS A 115 9.586 -5.426 -9.682 1.00 0.48 C ATOM 1967 CG LYS A 115 10.230 -6.756 -10.010 1.00 0.84 C ATOM 1968 CD LYS A 115 11.554 -6.578 -10.741 1.00 0.81 C ATOM 1969 CE LYS A 115 11.356 -6.067 -12.159 1.00 1.16 C ATOM 1970 NZ LYS A 115 10.697 -7.079 -13.030 1.00 1.72 N ATOM 0 H LYS A 115 8.117 -3.543 -9.267 1.00 0.35 H new ATOM 0 HA LYS A 115 7.670 -6.267 -9.146 1.00 0.37 H new ATOM 0 HB2 LYS A 115 9.272 -4.946 -10.609 1.00 0.48 H new ATOM 0 HB3 LYS A 115 10.330 -4.776 -9.222 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.395 -7.317 -9.090 1.00 0.84 H new ATOM 0 HG3 LYS A 115 9.551 -7.347 -10.626 1.00 0.84 H new ATOM 0 HD2 LYS A 115 12.183 -5.880 -10.188 1.00 0.81 H new ATOM 0 HD3 LYS A 115 12.084 -7.530 -10.769 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.752 -5.160 -12.136 1.00 1.16 H new ATOM 0 HE3 LYS A 115 12.322 -5.796 -12.585 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 11.284 -7.248 -13.871 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 10.582 -7.968 -12.503 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 9.763 -6.728 -13.325 1.00 1.72 H new ATOM 1984 N GLU A 116 9.355 -5.095 -6.579 1.00 0.36 N ATOM 1985 CA GLU A 116 9.845 -5.439 -5.273 1.00 0.38 C ATOM 1986 C GLU A 116 8.679 -5.707 -4.320 1.00 0.37 C ATOM 1987 O GLU A 116 8.773 -6.564 -3.453 1.00 0.38 O ATOM 1988 CB GLU A 116 10.782 -4.340 -4.771 1.00 0.43 C ATOM 1989 CG GLU A 116 10.802 -4.183 -3.273 1.00 0.80 C ATOM 1990 CD GLU A 116 11.980 -3.366 -2.792 1.00 1.30 C ATOM 1991 OE1 GLU A 116 11.920 -2.121 -2.862 1.00 2.27 O ATOM 1992 OE2 GLU A 116 12.984 -3.971 -2.355 1.00 1.32 O ATOM 0 H GLU A 116 9.436 -4.107 -6.817 1.00 0.36 H new ATOM 0 HA GLU A 116 10.423 -6.362 -5.323 1.00 0.38 H new ATOM 0 HB2 GLU A 116 11.793 -4.555 -5.116 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.486 -3.392 -5.221 1.00 0.43 H new ATOM 0 HG2 GLU A 116 9.877 -3.707 -2.948 1.00 0.80 H new ATOM 0 HG3 GLU A 116 10.833 -5.168 -2.808 1.00 0.80 H new ATOM 1999 N VAL A 117 7.567 -5.013 -4.515 1.00 0.36 N ATOM 2000 CA VAL A 117 6.354 -5.295 -3.773 1.00 0.38 C ATOM 2001 C VAL A 117 5.908 -6.735 -4.012 1.00 0.38 C ATOM 2002 O VAL A 117 5.564 -7.461 -3.078 1.00 0.43 O ATOM 2003 CB VAL A 117 5.233 -4.339 -4.204 1.00 0.43 C ATOM 2004 CG1 VAL A 117 3.947 -4.682 -3.500 1.00 0.81 C ATOM 2005 CG2 VAL A 117 5.627 -2.906 -3.924 1.00 0.78 C ATOM 0 H VAL A 117 7.483 -4.248 -5.185 1.00 0.36 H new ATOM 0 HA VAL A 117 6.562 -5.154 -2.712 1.00 0.38 H new ATOM 0 HB VAL A 117 5.076 -4.450 -5.277 1.00 0.43 H new ATOM 0 HG11 VAL A 117 3.164 -3.994 -3.818 1.00 0.81 H new ATOM 0 HG12 VAL A 117 3.657 -5.703 -3.749 1.00 0.81 H new ATOM 0 HG13 VAL A 117 4.088 -4.598 -2.422 1.00 0.81 H new ATOM 0 HG21 VAL A 117 4.822 -2.240 -4.235 1.00 0.78 H new ATOM 0 HG22 VAL A 117 5.810 -2.781 -2.857 1.00 0.78 H new ATOM 0 HG23 VAL A 117 6.534 -2.663 -4.478 1.00 0.78 H new ATOM 2009 N LEU A 118 5.936 -7.141 -5.271 1.00 0.36 N ATOM 2010 CA LEU A 118 5.574 -8.502 -5.650 1.00 0.36 C ATOM 2011 C LEU A 118 6.624 -9.480 -5.150 1.00 0.36 C ATOM 2012 O LEU A 118 6.320 -10.640 -4.874 1.00 0.38 O ATOM 2013 CB LEU A 118 5.447 -8.617 -7.172 1.00 0.41 C ATOM 2014 CG LEU A 118 4.385 -7.726 -7.820 1.00 0.49 C ATOM 2015 CD1 LEU A 118 4.645 -7.600 -9.313 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.995 -8.290 -7.585 1.00 0.88 C ATOM 0 H LEU A 118 6.207 -6.546 -6.054 1.00 0.36 H new ATOM 0 HA LEU A 118 4.613 -8.743 -5.196 1.00 0.36 H new ATOM 0 HB2 LEU A 118 6.413 -8.381 -7.617 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.226 -9.655 -7.422 1.00 0.41 H new ATOM 0 HG LEU A 118 4.442 -6.738 -7.362 1.00 0.49 H new ATOM 0 HD11 LEU A 118 3.883 -6.964 -9.763 1.00 1.21 H new ATOM 0 HD12 LEU A 118 5.628 -7.158 -9.475 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.611 -8.588 -9.773 1.00 1.21 H new ATOM 0 HD21 LEU A 118 2.255 -7.641 -8.054 1.00 0.88 H new ATOM 0 HD22 LEU A 118 2.929 -9.288 -8.018 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.801 -8.346 -6.514 1.00 0.88 H new ATOM 2028 N LYS A 119 7.852 -8.999 -5.020 1.00 0.36 N ATOM 2029 CA LYS A 119 8.940 -9.801 -4.494 1.00 0.37 C ATOM 2030 C LYS A 119 8.600 -10.217 -3.076 1.00 0.36 C ATOM 2031 O LYS A 119 8.811 -11.363 -2.675 1.00 0.38 O ATOM 2032 CB LYS A 119 10.247 -8.999 -4.528 1.00 0.39 C ATOM 2033 CG LYS A 119 11.359 -9.591 -3.678 1.00 0.43 C ATOM 2034 CD LYS A 119 12.621 -8.736 -3.712 1.00 0.67 C ATOM 2035 CE LYS A 119 12.376 -7.342 -3.151 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.603 -6.498 -3.184 1.00 0.95 N ATOM 0 H LYS A 119 8.118 -8.048 -5.275 1.00 0.36 H new ATOM 0 HA LYS A 119 9.076 -10.693 -5.106 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.591 -8.929 -5.560 1.00 0.39 H new ATOM 0 HB3 LYS A 119 10.046 -7.983 -4.189 1.00 0.39 H new ATOM 0 HG2 LYS A 119 11.015 -9.689 -2.648 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.592 -10.595 -4.033 1.00 0.43 H new ATOM 0 HD2 LYS A 119 13.407 -9.226 -3.137 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.979 -8.657 -4.739 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.587 -6.855 -3.724 1.00 0.57 H new ATOM 0 HE3 LYS A 119 12.020 -7.423 -2.124 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.338 -5.497 -3.089 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 14.230 -6.766 -2.399 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 14.098 -6.641 -4.087 1.00 0.95 H new ATOM 2050 N LEU A 120 8.059 -9.272 -2.327 1.00 0.36 N ATOM 2051 CA LEU A 120 7.581 -9.540 -0.995 1.00 0.37 C ATOM 2052 C LEU A 120 6.305 -10.366 -1.020 1.00 0.36 C ATOM 2053 O LEU A 120 6.229 -11.402 -0.362 1.00 0.38 O ATOM 2054 CB LEU A 120 7.331 -8.234 -0.239 1.00 0.39 C ATOM 2055 CG LEU A 120 8.566 -7.554 0.337 1.00 0.42 C ATOM 2056 CD1 LEU A 120 9.547 -7.169 -0.749 1.00 1.06 C ATOM 2057 CD2 LEU A 120 8.166 -6.335 1.152 1.00 0.99 C ATOM 0 H LEU A 120 7.942 -8.305 -2.629 1.00 0.36 H new ATOM 0 HA LEU A 120 8.353 -10.112 -0.480 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.836 -7.535 -0.913 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.637 -8.436 0.577 1.00 0.39 H new ATOM 0 HG LEU A 120 9.065 -8.268 0.992 1.00 0.42 H new ATOM 0 HD11 LEU A 120 10.415 -6.686 -0.300 1.00 1.06 H new ATOM 0 HD12 LEU A 120 9.865 -8.063 -1.285 1.00 1.06 H new ATOM 0 HD13 LEU A 120 9.068 -6.480 -1.444 1.00 1.06 H new ATOM 0 HD21 LEU A 120 9.059 -5.859 1.557 1.00 0.99 H new ATOM 0 HD22 LEU A 120 7.636 -5.628 0.513 1.00 0.99 H new ATOM 0 HD23 LEU A 120 7.515 -6.642 1.971 1.00 0.99 H new ATOM 2069 N TYR A 121 5.304 -9.933 -1.786 1.00 0.35 N ATOM 2070 CA TYR A 121 3.986 -10.522 -1.630 1.00 0.36 C ATOM 2071 C TYR A 121 3.944 -11.966 -2.134 1.00 0.38 C ATOM 2072 O TYR A 121 3.290 -12.814 -1.531 1.00 0.41 O ATOM 2073 CB TYR A 121 2.885 -9.650 -2.261 1.00 0.37 C ATOM 2074 CG TYR A 121 1.934 -10.414 -3.163 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.836 -11.081 -2.631 1.00 0.84 C ATOM 2076 CD2 TYR A 121 2.119 -10.448 -4.541 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -0.048 -11.760 -3.443 1.00 1.13 C ATOM 2078 CE2 TYR A 121 1.231 -11.120 -5.361 1.00 1.05 C ATOM 2079 CZ TYR A 121 0.233 -11.855 -4.823 1.00 1.23 C ATOM 2080 OH TYR A 121 -0.740 -12.434 -5.618 1.00 1.54 O ATOM 0 H TYR A 121 5.379 -9.203 -2.495 1.00 0.35 H new ATOM 0 HA TYR A 121 3.777 -10.558 -0.561 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.312 -9.175 -1.465 1.00 0.37 H new ATOM 0 HB3 TYR A 121 3.353 -8.852 -2.837 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.673 -11.067 -1.564 1.00 0.84 H new ATOM 0 HD2 TYR A 121 2.968 -9.943 -4.977 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -0.939 -12.211 -3.031 1.00 1.13 H new ATOM 0 HE2 TYR A 121 1.335 -11.057 -6.434 1.00 1.05 H new ATOM 0 HH TYR A 121 -1.150 -13.184 -5.139 1.00 1.54 H new ATOM 2090 N LYS A 122 4.662 -12.250 -3.215 1.00 0.40 N ATOM 2091 CA LYS A 122 4.681 -13.598 -3.778 1.00 0.45 C ATOM 2092 C LYS A 122 5.311 -14.590 -2.808 1.00 0.43 C ATOM 2093 O LYS A 122 4.940 -15.767 -2.777 1.00 0.46 O ATOM 2094 CB LYS A 122 5.437 -13.618 -5.109 1.00 0.52 C ATOM 2095 CG LYS A 122 4.676 -12.969 -6.255 1.00 0.60 C ATOM 2096 CD LYS A 122 5.480 -13.002 -7.545 1.00 1.21 C ATOM 2097 CE LYS A 122 4.700 -12.412 -8.714 1.00 1.27 C ATOM 2098 NZ LYS A 122 3.515 -13.234 -9.069 1.00 1.98 N ATOM 0 H LYS A 122 5.235 -11.572 -3.717 1.00 0.40 H new ATOM 0 HA LYS A 122 3.648 -13.897 -3.954 1.00 0.45 H new ATOM 0 HB2 LYS A 122 6.391 -13.106 -4.982 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.662 -14.651 -5.373 1.00 0.52 H new ATOM 0 HG2 LYS A 122 3.728 -13.486 -6.402 1.00 0.60 H new ATOM 0 HG3 LYS A 122 4.440 -11.936 -5.998 1.00 0.60 H new ATOM 0 HD2 LYS A 122 6.408 -12.446 -7.409 1.00 1.21 H new ATOM 0 HD3 LYS A 122 5.756 -14.031 -7.775 1.00 1.21 H new ATOM 0 HE2 LYS A 122 4.377 -11.402 -8.460 1.00 1.27 H new ATOM 0 HE3 LYS A 122 5.355 -12.329 -9.581 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 3.124 -12.906 -9.975 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 3.797 -14.231 -9.155 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 2.793 -13.141 -8.326 1.00 1.98 H new ATOM 2112 N ALA A 123 6.243 -14.101 -1.998 1.00 0.42 N ATOM 2113 CA ALA A 123 6.989 -14.946 -1.074 1.00 0.43 C ATOM 2114 C ALA A 123 6.264 -15.140 0.256 1.00 0.43 C ATOM 2115 O ALA A 123 6.727 -15.896 1.109 1.00 0.70 O ATOM 2116 CB ALA A 123 8.366 -14.351 -0.832 1.00 0.49 C ATOM 0 H ALA A 123 6.501 -13.115 -1.963 1.00 0.42 H new ATOM 0 HA ALA A 123 7.083 -15.929 -1.535 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.920 -14.986 -0.141 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.905 -14.286 -1.777 1.00 0.49 H new ATOM 0 HB3 ALA A 123 8.261 -13.354 -0.405 1.00 0.49 H new ATOM 2122 N MET A 124 5.138 -14.464 0.447 1.00 0.44 N ATOM 2123 CA MET A 124 4.426 -14.553 1.721 1.00 0.42 C ATOM 2124 C MET A 124 3.680 -15.873 1.860 1.00 0.42 C ATOM 2125 O MET A 124 3.430 -16.565 0.871 1.00 0.42 O ATOM 2126 CB MET A 124 3.426 -13.411 1.876 1.00 0.41 C ATOM 2127 CG MET A 124 4.061 -12.038 1.943 1.00 0.45 C ATOM 2128 SD MET A 124 2.881 -10.766 2.426 1.00 0.50 S ATOM 2129 CE MET A 124 1.591 -10.995 1.204 1.00 0.46 C ATOM 0 H MET A 124 4.702 -13.858 -0.248 1.00 0.44 H new ATOM 0 HA MET A 124 5.184 -14.487 2.502 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.729 -13.437 1.038 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.842 -13.574 2.782 1.00 0.41 H new ATOM 0 HG2 MET A 124 4.886 -12.055 2.655 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.485 -11.788 0.970 1.00 0.45 H new ATOM 0 HE1 MET A 124 1.195 -10.024 0.907 1.00 0.46 H new ATOM 0 HE2 MET A 124 2.003 -11.501 0.331 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.790 -11.599 1.630 1.00 0.46 H new ATOM 2139 N SER A 125 3.335 -16.212 3.091 1.00 0.47 N ATOM 2140 CA SER A 125 2.444 -17.328 3.366 1.00 0.54 C ATOM 2141 C SER A 125 1.090 -17.091 2.686 1.00 0.58 C ATOM 2142 O SER A 125 0.627 -15.949 2.605 1.00 0.92 O ATOM 2143 CB SER A 125 2.270 -17.464 4.879 1.00 0.62 C ATOM 2144 OG SER A 125 3.526 -17.381 5.538 1.00 1.18 O ATOM 0 H SER A 125 3.663 -15.724 3.925 1.00 0.47 H new ATOM 0 HA SER A 125 2.869 -18.250 2.971 1.00 0.54 H new ATOM 0 HB2 SER A 125 1.608 -16.679 5.246 1.00 0.62 H new ATOM 0 HB3 SER A 125 1.794 -18.417 5.111 1.00 0.62 H new ATOM 0 HG SER A 125 3.431 -16.853 6.358 1.00 1.18 H new ATOM 2150 N ASP A 126 0.464 -18.158 2.194 1.00 0.44 N ATOM 2151 CA ASP A 126 -0.792 -18.038 1.447 1.00 0.43 C ATOM 2152 C ASP A 126 -1.894 -17.420 2.306 1.00 0.39 C ATOM 2153 O ASP A 126 -2.659 -16.580 1.833 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.247 -19.398 0.889 1.00 0.47 C ATOM 2155 CG ASP A 126 -1.639 -20.398 1.961 1.00 1.37 C ATOM 2156 OD1 ASP A 126 -0.743 -21.092 2.491 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -2.842 -20.504 2.273 1.00 1.81 O ATOM 0 H ASP A 126 0.803 -19.115 2.297 1.00 0.44 H new ATOM 0 HA ASP A 126 -0.602 -17.372 0.605 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -2.096 -19.242 0.223 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -0.443 -19.821 0.287 1.00 0.47 H new ATOM 2162 N ALA A 127 -1.961 -17.823 3.571 1.00 0.38 N ATOM 2163 CA ALA A 127 -2.936 -17.271 4.502 1.00 0.37 C ATOM 2164 C ALA A 127 -2.677 -15.789 4.734 1.00 0.33 C ATOM 2165 O ALA A 127 -3.600 -15.020 5.001 1.00 0.34 O ATOM 2166 CB ALA A 127 -2.903 -18.029 5.820 1.00 0.42 C ATOM 0 H ALA A 127 -1.349 -18.532 3.975 1.00 0.38 H new ATOM 0 HA ALA A 127 -3.928 -17.382 4.064 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.638 -17.603 6.503 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -3.138 -19.078 5.642 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -1.909 -17.950 6.261 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.415 -15.399 4.624 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.052 -14.003 4.750 1.00 0.31 C ATOM 2174 C GLY A 128 -1.512 -13.201 3.551 1.00 0.29 C ATOM 2175 O GLY A 128 -1.961 -12.065 3.687 1.00 0.30 O ATOM 0 H GLY A 128 -0.632 -16.029 4.449 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.495 -13.591 5.657 1.00 0.31 H new ATOM 0 HA3 GLY A 128 0.029 -13.915 4.855 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.424 -13.810 2.373 1.00 0.32 N ATOM 2180 CA LYS A 129 -1.856 -13.166 1.139 1.00 0.39 C ATOM 2181 C LYS A 129 -3.364 -12.948 1.168 1.00 0.35 C ATOM 2182 O LYS A 129 -3.859 -11.864 0.858 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.486 -14.025 -0.073 1.00 0.56 C ATOM 2184 CG LYS A 129 0.007 -14.266 -0.224 1.00 0.58 C ATOM 2185 CD LYS A 129 0.305 -15.195 -1.391 1.00 0.59 C ATOM 2186 CE LYS A 129 1.798 -15.431 -1.540 1.00 0.94 C ATOM 2187 NZ LYS A 129 2.117 -16.362 -2.654 1.00 1.32 N ATOM 0 H LYS A 129 -1.056 -14.753 2.248 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.351 -12.204 1.056 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -1.993 -14.987 0.007 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -1.859 -13.542 -0.976 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.517 -13.315 -0.375 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.402 -14.697 0.696 1.00 0.58 H new ATOM 0 HD2 LYS A 129 -0.203 -16.148 -1.239 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.091 -14.765 -2.311 1.00 0.59 H new ATOM 0 HE2 LYS A 129 2.298 -14.478 -1.712 1.00 0.94 H new ATOM 0 HE3 LYS A 129 2.194 -15.835 -0.608 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 3.130 -16.297 -2.881 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 1.888 -17.336 -2.369 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 1.557 -16.105 -3.492 1.00 1.32 H new ATOM 2201 N ALA A 130 -4.084 -13.995 1.555 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.537 -13.956 1.629 1.00 0.37 C ATOM 2203 C ALA A 130 -6.015 -12.961 2.677 1.00 0.33 C ATOM 2204 O ALA A 130 -7.036 -12.297 2.491 1.00 0.38 O ATOM 2205 CB ALA A 130 -6.084 -15.339 1.941 1.00 0.42 C ATOM 0 H ALA A 130 -3.677 -14.891 1.825 1.00 0.35 H new ATOM 0 HA ALA A 130 -5.910 -13.630 0.658 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.172 -15.297 1.994 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -5.786 -16.034 1.156 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.687 -15.680 2.897 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.274 -12.850 3.773 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.677 -11.977 4.868 1.00 0.29 C ATOM 2213 C ASP A 131 -5.404 -10.526 4.504 1.00 0.27 C ATOM 2214 O ASP A 131 -6.160 -9.627 4.872 1.00 0.30 O ATOM 2215 CB ASP A 131 -4.951 -12.371 6.155 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.551 -11.744 7.393 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.727 -12.040 7.701 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.846 -10.977 8.078 1.00 0.45 O ATOM 0 H ASP A 131 -4.398 -13.349 3.927 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.748 -12.089 5.040 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -4.972 -13.456 6.259 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.904 -12.078 6.078 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.336 -10.314 3.744 1.00 0.24 N ATOM 2224 CA PHE A 132 -4.028 -8.999 3.187 1.00 0.22 C ATOM 2225 C PHE A 132 -5.175 -8.522 2.300 1.00 0.23 C ATOM 2226 O PHE A 132 -5.415 -7.324 2.167 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.720 -9.065 2.386 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.321 -7.763 1.746 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.733 -6.759 2.498 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.528 -7.548 0.393 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.361 -5.564 1.912 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.160 -6.357 -0.197 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.575 -5.363 0.563 1.00 0.36 C ATOM 0 H PHE A 132 -3.664 -11.040 3.497 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.903 -8.286 4.002 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -1.918 -9.392 3.048 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.821 -9.823 1.609 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.563 -6.912 3.554 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -2.983 -8.322 -0.207 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -0.904 -4.789 2.508 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.329 -6.202 -1.252 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.285 -4.430 0.103 1.00 0.36 H new ATOM 2243 N GLY A 133 -5.905 -9.473 1.731 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.012 -9.146 0.855 1.00 0.24 C ATOM 2245 C GLY A 133 -8.227 -8.619 1.590 1.00 0.23 C ATOM 2246 O GLY A 133 -9.199 -8.197 0.963 1.00 0.27 O ATOM 0 H GLY A 133 -5.748 -10.472 1.863 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.684 -8.401 0.130 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.295 -10.035 0.292 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.182 -8.644 2.911 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.299 -8.165 3.711 1.00 0.29 C ATOM 2252 C LYS A 134 -9.068 -6.716 4.120 1.00 0.30 C ATOM 2253 O LYS A 134 -9.930 -5.857 3.939 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.458 -9.030 4.958 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.516 -10.517 4.670 1.00 0.63 C ATOM 2256 CD LYS A 134 -9.405 -11.320 5.951 1.00 1.29 C ATOM 2257 CE LYS A 134 -9.291 -12.802 5.667 1.00 1.61 C ATOM 2258 NZ LYS A 134 -9.006 -13.581 6.902 1.00 2.43 N ATOM 0 H LYS A 134 -7.389 -8.989 3.451 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.208 -8.227 3.113 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.626 -8.833 5.634 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.369 -8.735 5.479 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -10.452 -10.758 4.165 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -8.708 -10.792 3.992 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -8.534 -10.988 6.515 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -10.279 -11.134 6.575 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -10.218 -13.158 5.218 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -8.498 -12.973 4.939 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -8.801 -14.569 6.650 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -8.184 -13.171 7.389 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -9.833 -13.549 7.531 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.888 -6.466 4.670 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.508 -5.134 5.143 1.00 0.31 C ATOM 2274 C GLN A 135 -7.034 -4.251 3.986 1.00 0.30 C ATOM 2275 O GLN A 135 -7.043 -3.024 4.086 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.420 -5.244 6.225 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.920 -5.746 7.581 1.00 0.51 C ATOM 2278 CD GLN A 135 -7.735 -7.022 7.529 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -7.192 -8.121 7.568 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -9.050 -6.880 7.474 1.00 0.75 N ATOM 0 H GLN A 135 -7.167 -7.175 4.802 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.389 -4.663 5.580 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.639 -5.915 5.869 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -5.961 -4.265 6.361 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -6.060 -5.908 8.231 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -7.525 -4.964 8.041 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -9.461 -5.947 7.443 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.652 -7.703 7.463 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.628 -4.880 2.887 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.257 -4.153 1.674 1.00 0.26 C ATOM 2291 C PHE A 136 -6.822 -4.838 0.426 1.00 0.23 C ATOM 2292 O PHE A 136 -6.075 -5.399 -0.378 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.737 -4.025 1.551 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.174 -2.802 2.217 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.284 -1.563 1.606 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.532 -2.886 3.442 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -3.769 -0.432 2.205 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.014 -1.758 4.042 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.131 -0.530 3.423 1.00 0.58 C ATOM 0 H PHE A 136 -6.547 -5.894 2.810 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.687 -3.154 1.750 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.271 -4.910 1.985 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.468 -4.008 0.495 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -4.779 -1.482 0.649 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.436 -3.844 3.931 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -3.866 0.528 1.721 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.516 -1.835 4.997 1.00 0.37 H new ATOM 0 HZ PHE A 136 -2.723 0.353 3.892 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.154 -4.783 0.246 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.841 -5.430 -0.882 1.00 0.30 C ATOM 2311 C PRO A 137 -8.341 -4.948 -2.244 1.00 0.29 C ATOM 2312 O PRO A 137 -8.152 -5.748 -3.161 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.309 -5.030 -0.691 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.429 -4.682 0.749 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.103 -4.092 1.137 1.00 0.34 C ATOM 0 HA PRO A 137 -8.668 -6.506 -0.883 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.573 -4.183 -1.325 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.979 -5.848 -0.956 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.238 -3.970 0.914 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.655 -5.565 1.347 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -9.083 -3.013 0.987 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -8.874 -4.272 2.187 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.127 -3.640 -2.367 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.713 -3.039 -3.633 1.00 0.36 C ATOM 2325 C PHE A 138 -6.361 -3.582 -4.091 1.00 0.35 C ATOM 2326 O PHE A 138 -6.194 -3.948 -5.254 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.642 -1.517 -3.497 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.490 -0.786 -4.806 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -6.251 -0.665 -5.416 1.00 1.56 C ATOM 2330 CD2 PHE A 138 -8.593 -0.214 -5.421 1.00 1.21 C ATOM 2331 CE1 PHE A 138 -6.117 0.008 -6.614 1.00 2.23 C ATOM 2332 CE2 PHE A 138 -8.463 0.462 -6.619 1.00 1.88 C ATOM 2333 CZ PHE A 138 -7.223 0.574 -7.215 1.00 2.31 C ATOM 0 H PHE A 138 -8.234 -2.974 -1.602 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.457 -3.301 -4.385 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.546 -1.165 -3.000 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -6.803 -1.260 -2.851 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -5.381 -1.102 -4.949 1.00 1.56 H new ATOM 0 HD2 PHE A 138 -9.565 -0.298 -4.958 1.00 1.21 H new ATOM 0 HE1 PHE A 138 -5.147 0.092 -7.081 1.00 2.23 H new ATOM 0 HE2 PHE A 138 -9.330 0.902 -7.088 1.00 1.88 H new ATOM 0 HZ PHE A 138 -7.118 1.104 -8.150 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.401 -3.633 -3.178 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.060 -4.086 -3.523 1.00 0.36 C ATOM 2345 C LEU A 139 -4.038 -5.590 -3.757 1.00 0.33 C ATOM 2346 O LEU A 139 -3.432 -6.059 -4.719 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.049 -3.701 -2.442 1.00 0.40 C ATOM 2348 CG LEU A 139 -2.750 -2.206 -2.321 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -1.776 -1.952 -1.181 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.187 -1.668 -3.629 1.00 0.86 C ATOM 0 H LEU A 139 -5.523 -3.369 -2.200 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.773 -3.587 -4.449 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.418 -4.059 -1.481 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.114 -4.226 -2.640 1.00 0.40 H new ATOM 0 HG LEU A 139 -3.682 -1.683 -2.105 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -1.573 -0.884 -1.107 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.211 -2.304 -0.246 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -0.845 -2.486 -1.372 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -1.980 -0.603 -3.525 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.264 -2.195 -3.872 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -2.913 -1.820 -4.428 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.715 -6.342 -2.898 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.792 -7.789 -3.064 1.00 0.28 C ATOM 2364 C ALA A 140 -5.389 -8.132 -4.422 1.00 0.28 C ATOM 2365 O ALA A 140 -4.944 -9.066 -5.087 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.610 -8.410 -1.953 1.00 0.25 C ATOM 0 H ALA A 140 -5.215 -5.979 -2.086 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.783 -8.198 -3.014 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.656 -9.490 -2.095 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.145 -8.189 -0.992 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.619 -7.999 -1.971 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.393 -7.354 -4.816 1.00 0.26 N ATOM 2373 CA LYS A 141 -6.984 -7.448 -6.144 1.00 0.27 C ATOM 2374 C LYS A 141 -5.908 -7.489 -7.222 1.00 0.29 C ATOM 2375 O LYS A 141 -5.732 -8.496 -7.911 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.880 -6.234 -6.393 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.574 -6.260 -7.746 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.365 -4.987 -8.000 1.00 1.15 C ATOM 2379 CE LYS A 141 -8.464 -3.764 -8.066 1.00 1.76 C ATOM 2380 NZ LYS A 141 -9.223 -2.534 -8.403 1.00 2.58 N ATOM 0 H LYS A 141 -6.818 -6.642 -4.223 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.566 -8.368 -6.190 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.634 -6.182 -5.608 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.279 -5.328 -6.319 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -7.831 -6.389 -8.533 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.243 -7.119 -7.795 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -9.916 -5.083 -8.935 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -10.102 -4.853 -7.208 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -7.963 -3.630 -7.107 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -7.686 -3.926 -8.812 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -8.889 -1.747 -7.811 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -9.077 -2.300 -9.406 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -10.236 -2.692 -8.229 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.189 -6.377 -7.357 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.210 -6.210 -8.412 1.00 0.36 C ATOM 2396 C VAL A 142 -3.038 -7.180 -8.291 1.00 0.37 C ATOM 2397 O VAL A 142 -2.435 -7.552 -9.298 1.00 0.44 O ATOM 2398 CB VAL A 142 -3.685 -4.762 -8.461 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -4.835 -3.783 -8.359 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.669 -4.503 -7.372 1.00 0.48 C ATOM 0 H VAL A 142 -5.273 -5.572 -6.736 1.00 0.31 H new ATOM 0 HA VAL A 142 -4.730 -6.437 -9.343 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.184 -4.620 -9.419 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.450 -2.764 -8.395 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -5.522 -3.941 -9.191 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.363 -3.938 -7.418 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.321 -3.472 -7.437 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.129 -4.670 -6.398 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -1.824 -5.180 -7.495 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.708 -7.592 -7.076 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.576 -8.493 -6.898 1.00 0.36 C ATOM 2406 C PHE A 143 -1.948 -9.912 -7.309 1.00 0.40 C ATOM 2407 O PHE A 143 -1.232 -10.551 -8.082 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.050 -8.480 -5.457 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.474 -7.164 -5.014 1.00 0.34 C ATOM 2410 CD1 PHE A 143 0.221 -6.366 -5.907 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.627 -6.721 -3.709 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.757 -5.158 -5.510 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.093 -5.513 -3.306 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.575 -4.728 -4.180 1.00 0.39 C ATOM 0 H PHE A 143 -3.192 -7.326 -6.218 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.776 -8.133 -7.544 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -1.864 -8.750 -4.784 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.284 -9.249 -5.356 1.00 0.36 H new ATOM 0 HD1 PHE A 143 0.345 -6.694 -6.929 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -1.170 -7.328 -3.000 1.00 0.58 H new ATOM 0 HE1 PHE A 143 1.310 -4.549 -6.210 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.210 -5.192 -2.281 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.968 -3.774 -3.860 1.00 0.39 H new ATOM 2424 N GLU A 144 -3.083 -10.394 -6.810 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.528 -11.754 -7.091 1.00 0.45 C ATOM 2426 C GLU A 144 -3.872 -11.927 -8.569 1.00 0.45 C ATOM 2427 O GLU A 144 -3.566 -12.958 -9.170 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.745 -12.103 -6.228 1.00 0.47 C ATOM 2429 CG GLU A 144 -4.441 -12.200 -4.740 1.00 0.60 C ATOM 2430 CD GLU A 144 -3.814 -13.524 -4.348 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -2.583 -13.667 -4.465 1.00 2.58 O ATOM 2432 OE2 GLU A 144 -4.559 -14.434 -3.921 1.00 1.55 O ATOM 0 H GLU A 144 -3.711 -9.861 -6.208 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.710 -12.432 -6.848 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.516 -11.348 -6.382 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -5.157 -13.053 -6.567 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.770 -11.389 -4.458 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -5.364 -12.060 -4.177 1.00 0.60 H new ATOM 2439 N SER A 145 -4.485 -10.902 -9.153 1.00 0.43 N ATOM 2440 CA SER A 145 -4.941 -10.966 -10.538 1.00 0.49 C ATOM 2441 C SER A 145 -3.786 -10.783 -11.526 1.00 0.57 C ATOM 2442 O SER A 145 -3.949 -10.981 -12.731 1.00 1.32 O ATOM 2443 CB SER A 145 -6.013 -9.902 -10.783 1.00 0.50 C ATOM 2444 OG SER A 145 -7.020 -9.959 -9.783 1.00 1.29 O ATOM 0 H SER A 145 -4.678 -10.015 -8.688 1.00 0.43 H new ATOM 0 HA SER A 145 -5.364 -11.957 -10.704 1.00 0.49 H new ATOM 0 HB2 SER A 145 -5.555 -8.913 -10.788 1.00 0.50 H new ATOM 0 HB3 SER A 145 -6.461 -10.051 -11.765 1.00 0.50 H new ATOM 0 HG SER A 145 -6.692 -9.534 -8.963 1.00 1.29 H new ATOM 2450 N GLY A 146 -2.620 -10.401 -11.016 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.461 -10.223 -11.870 1.00 0.78 C ATOM 2452 C GLY A 146 -1.431 -8.860 -12.534 1.00 0.70 C ATOM 2453 O GLY A 146 -0.647 -8.630 -13.457 1.00 1.09 O ATOM 0 H GLY A 146 -2.457 -10.212 -10.027 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -0.555 -10.355 -11.279 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -1.457 -10.997 -12.637 1.00 0.78 H new ATOM 2457 N LYS A 147 -2.286 -7.962 -12.058 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.362 -6.597 -12.572 1.00 0.48 C ATOM 2459 C LYS A 147 -1.040 -5.869 -12.361 1.00 0.40 C ATOM 2460 O LYS A 147 -0.452 -5.336 -13.303 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.490 -5.845 -11.861 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.354 -4.329 -11.898 1.00 0.83 C ATOM 2463 CD LYS A 147 -3.796 -3.733 -13.221 1.00 1.15 C ATOM 2464 CE LYS A 147 -5.301 -3.818 -13.386 1.00 1.55 C ATOM 2465 NZ LYS A 147 -5.782 -2.964 -14.500 1.00 1.98 N ATOM 0 H LYS A 147 -2.946 -8.158 -11.306 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.567 -6.636 -13.642 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.440 -6.124 -12.317 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.528 -6.169 -10.821 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -3.947 -3.895 -11.093 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -2.315 -4.057 -11.711 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -3.480 -2.691 -13.277 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -3.307 -4.259 -14.041 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -5.589 -4.853 -13.571 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -5.786 -3.513 -12.459 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -6.795 -3.138 -14.658 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -5.636 -1.963 -14.258 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -5.252 -3.191 -15.366 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.576 -5.863 -11.116 1.00 0.33 N ATOM 2480 CA ALA A 148 0.663 -5.189 -10.768 1.00 0.29 C ATOM 2481 C ALA A 148 1.843 -5.833 -11.481 1.00 0.31 C ATOM 2482 O ALA A 148 2.832 -5.174 -11.791 1.00 0.34 O ATOM 2483 CB ALA A 148 0.873 -5.212 -9.263 1.00 0.33 C ATOM 0 H ALA A 148 -1.043 -6.319 -10.332 1.00 0.33 H new ATOM 0 HA ALA A 148 0.593 -4.151 -11.093 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.805 -4.703 -9.018 1.00 0.33 H new ATOM 0 HB2 ALA A 148 0.043 -4.704 -8.772 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.922 -6.245 -8.918 1.00 0.33 H new ATOM 2489 N ALA A 149 1.718 -7.124 -11.755 1.00 0.35 N ATOM 2490 CA ALA A 149 2.758 -7.863 -12.449 1.00 0.41 C ATOM 2491 C ALA A 149 2.942 -7.345 -13.874 1.00 0.43 C ATOM 2492 O ALA A 149 4.059 -7.262 -14.369 1.00 0.51 O ATOM 2493 CB ALA A 149 2.435 -9.349 -12.452 1.00 0.48 C ATOM 0 H ALA A 149 0.901 -7.682 -11.505 1.00 0.35 H new ATOM 0 HA ALA A 149 3.698 -7.713 -11.917 1.00 0.41 H new ATOM 0 HB1 ALA A 149 3.222 -9.891 -12.975 1.00 0.48 H new ATOM 0 HB2 ALA A 149 2.367 -9.709 -11.425 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.483 -9.513 -12.958 1.00 0.48 H new ATOM 2499 N LYS A 150 1.847 -6.962 -14.519 1.00 0.41 N ATOM 2500 CA LYS A 150 1.907 -6.454 -15.889 1.00 0.46 C ATOM 2501 C LYS A 150 2.575 -5.081 -15.925 1.00 0.45 C ATOM 2502 O LYS A 150 3.076 -4.644 -16.963 1.00 0.59 O ATOM 2503 CB LYS A 150 0.504 -6.362 -16.490 1.00 0.53 C ATOM 2504 CG LYS A 150 -0.254 -7.677 -16.457 1.00 1.16 C ATOM 2505 CD LYS A 150 0.423 -8.744 -17.297 1.00 1.45 C ATOM 2506 CE LYS A 150 -0.210 -10.108 -17.068 1.00 1.96 C ATOM 2507 NZ LYS A 150 -0.132 -10.519 -15.640 1.00 2.82 N ATOM 0 H LYS A 150 0.909 -6.992 -14.120 1.00 0.41 H new ATOM 0 HA LYS A 150 2.500 -7.151 -16.481 1.00 0.46 H new ATOM 0 HB2 LYS A 150 -0.067 -5.609 -15.947 1.00 0.53 H new ATOM 0 HB3 LYS A 150 0.581 -6.021 -17.523 1.00 0.53 H new ATOM 0 HG2 LYS A 150 -0.334 -8.023 -15.427 1.00 1.16 H new ATOM 0 HG3 LYS A 150 -1.269 -7.519 -16.820 1.00 1.16 H new ATOM 0 HD2 LYS A 150 0.352 -8.480 -18.352 1.00 1.45 H new ATOM 0 HD3 LYS A 150 1.484 -8.786 -17.050 1.00 1.45 H new ATOM 0 HE2 LYS A 150 -1.253 -10.082 -17.383 1.00 1.96 H new ATOM 0 HE3 LYS A 150 0.292 -10.851 -17.688 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 -0.384 -11.524 -15.554 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 0.836 -10.373 -15.289 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 -0.794 -9.947 -15.077 1.00 2.82 H new ATOM 2521 N PHE A 151 2.579 -4.413 -14.782 1.00 0.35 N ATOM 2522 CA PHE A 151 3.169 -3.088 -14.660 1.00 0.36 C ATOM 2523 C PHE A 151 4.632 -3.188 -14.233 1.00 0.40 C ATOM 2524 O PHE A 151 5.488 -2.454 -14.721 1.00 0.46 O ATOM 2525 CB PHE A 151 2.368 -2.264 -13.649 1.00 0.34 C ATOM 2526 CG PHE A 151 2.873 -0.864 -13.471 1.00 0.33 C ATOM 2527 CD1 PHE A 151 2.534 0.127 -14.375 1.00 0.46 C ATOM 2528 CD2 PHE A 151 3.686 -0.542 -12.400 1.00 0.43 C ATOM 2529 CE1 PHE A 151 2.998 1.417 -14.214 1.00 0.49 C ATOM 2530 CE2 PHE A 151 4.155 0.744 -12.233 1.00 0.44 C ATOM 2531 CZ PHE A 151 3.810 1.725 -13.141 1.00 0.39 C ATOM 0 H PHE A 151 2.176 -4.771 -13.916 1.00 0.35 H new ATOM 0 HA PHE A 151 3.136 -2.592 -15.630 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.327 -2.226 -13.969 1.00 0.34 H new ATOM 0 HB3 PHE A 151 2.387 -2.772 -12.685 1.00 0.34 H new ATOM 0 HD1 PHE A 151 1.899 -0.111 -15.216 1.00 0.46 H new ATOM 0 HD2 PHE A 151 3.957 -1.306 -11.686 1.00 0.43 H new ATOM 0 HE1 PHE A 151 2.727 2.183 -14.925 1.00 0.49 H new ATOM 0 HE2 PHE A 151 4.791 0.983 -11.394 1.00 0.44 H new ATOM 0 HZ PHE A 151 4.175 2.733 -13.012 1.00 0.39 H new ATOM 2541 N ALA A 152 4.904 -4.113 -13.327 1.00 0.39 N ATOM 2542 CA ALA A 152 6.242 -4.305 -12.777 1.00 0.44 C ATOM 2543 C ALA A 152 7.095 -5.225 -13.641 1.00 0.52 C ATOM 2544 O ALA A 152 8.277 -5.434 -13.361 1.00 0.59 O ATOM 2545 CB ALA A 152 6.134 -4.885 -11.381 1.00 0.44 C ATOM 0 H ALA A 152 4.205 -4.754 -12.950 1.00 0.39 H new ATOM 0 HA ALA A 152 6.730 -3.331 -12.751 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.133 -5.029 -10.969 1.00 0.44 H new ATOM 0 HB2 ALA A 152 5.574 -4.200 -10.745 1.00 0.44 H new ATOM 0 HB3 ALA A 152 5.618 -5.844 -11.424 1.00 0.44 H new ATOM 2551 N GLY A 153 6.499 -5.774 -14.690 1.00 0.65 N ATOM 2552 CA GLY A 153 7.189 -6.757 -15.500 1.00 0.84 C ATOM 2553 C GLY A 153 7.361 -8.055 -14.744 1.00 1.06 C ATOM 2554 O GLY A 153 8.298 -8.815 -14.992 1.00 1.62 O ATOM 0 H GLY A 153 5.550 -5.556 -14.994 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.628 -6.937 -16.417 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.165 -6.371 -15.794 1.00 0.84 H new