USER MOD reduce.3.24.130724 H: found=0, std=0, add=1145, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1148 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 30 GLN : amide:sc= 2.37 K(o=5.1,f=2) USER MOD Set 1.2: A 75 TYR OH : rot 26:sc= 0.945 USER MOD Set 1.3: A 159 THR OG1 : rot 165:sc= 1.77 USER MOD Set 2.1: A 27 GLN : amide:sc= 0.253 X(o=-3,f=-3.3) USER MOD Set 2.2: A 163 ASN :FLIP amide:sc= -3.28 X(o=-3.3,f=-3) USER MOD Single : A 21 THR OG1 : rot 43:sc= 0.397 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -106:sc= -2.21! (180deg=-3.08!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -155:sc= -0.0559 (180deg=-1.28) USER MOD Single : A 54 MET CE :methyl -124:sc= 0 (180deg=-1.74) USER MOD Single : A 57 HIS :FLIP no HE2:sc= -0.952 F(o=-2.1!,f=-0.95) USER MOD Single : A 59 ASN : amide:sc= -0.0205 X(o=-0.02,f=-0.34) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.0854 (180deg=-0.404) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc=-0.00132 (180deg=-0.0531) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -147:sc= 0.246 (180deg=-0.727!) USER MOD Single : A 85 ASN : amide:sc= -1.49! X(o=-1.5!,f=-1.8) USER MOD Single : A 88 CYS SG : rot -38:sc= 0.392 USER MOD Single : A 95 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.2!) USER MOD Single : A 96 ASN : amide:sc= -0.26 K(o=-0.26,f=-2.6!) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= -0.0157 (180deg=-0.231) USER MOD Single : A 98 MET CE :methyl 175:sc= -0.412 (180deg=-0.718) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.2) USER MOD Single : A 108 SER OG : rot 72:sc= 0.26 USER MOD Single : A 109 HIS : no HE2:sc= -0.875 K(o=-0.87,f=-3.9!) USER MOD Single : A 110 GLN :FLIP amide:sc=-0.00665 F(o=-0.95,f=-0.0066) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN :FLIP amide:sc= -0.0607 F(o=-0.96,f=-0.061) USER MOD Single : A 115 THR OG1 : rot -68:sc= 0.145 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 120 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 122 CYS SG : rot 74:sc= 0.495 USER MOD Single : A 123 SER OG : rot -36:sc= 1.13 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.18 K(o=-0.18,f=-3.5!) USER MOD Single : A 146 MET CE :methyl -159:sc= -0.179 (180deg=-0.824) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 THR OG1 : rot -30:sc= 0.813 USER MOD Single : A 156 LYS NZ :NH3+ -172:sc= 0.326 (180deg=0.281) USER MOD Single : A 157 GLN : amide:sc= -0.0375 X(o=-0.037,f=-0.013) USER MOD Single : A 160 THR OG1 : rot 74:sc= 0.947 USER MOD Single : A 161 THR OG1 : rot 75:sc= 0.789 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 ASN : amide:sc= -0.841! X(o=-0.84!,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 215 N ARG A 14 0.385 13.254 14.754 1.00 13.54 N ATOM 216 CA ARG A 14 1.432 12.239 14.575 1.00 50.23 C ATOM 217 C ARG A 14 1.388 11.172 15.679 1.00 11.25 C ATOM 218 O ARG A 14 0.885 11.413 16.779 1.00 3.22 O ATOM 219 CB ARG A 14 2.831 12.880 14.550 1.00 44.14 C ATOM 220 CG ARG A 14 3.215 13.628 15.830 1.00 35.13 C ATOM 221 CD ARG A 14 2.830 15.102 15.777 1.00 65.13 C ATOM 222 NE ARG A 14 3.565 15.809 14.732 1.00 12.41 N ATOM 223 CZ ARG A 14 3.610 17.107 14.612 1.00 63.13 C ATOM 224 NH1 ARG A 14 2.999 17.875 15.452 1.00 42.15 N ATOM 225 NH2 ARG A 14 4.287 17.639 13.652 1.00 74.03 N ATOM 0 HA ARG A 14 1.237 11.759 13.616 1.00 50.23 H new ATOM 0 HB2 ARG A 14 3.570 12.100 14.366 1.00 44.14 H new ATOM 0 HB3 ARG A 14 2.883 13.573 13.711 1.00 44.14 H new ATOM 0 HG2 ARG A 14 2.726 13.158 16.683 1.00 35.13 H new ATOM 0 HG3 ARG A 14 4.290 13.541 15.990 1.00 35.13 H new ATOM 0 HD2 ARG A 14 1.759 15.193 15.596 1.00 65.13 H new ATOM 0 HD3 ARG A 14 3.030 15.567 16.742 1.00 65.13 H new ATOM 0 HE ARG A 14 4.078 15.250 14.050 1.00 12.41 H new ATOM 0 HH11 ARG A 14 2.471 17.468 16.224 1.00 42.15 H new ATOM 0 HH12 ARG A 14 3.045 18.888 15.343 1.00 42.15 H new ATOM 0 HH21 ARG A 14 4.785 17.045 12.989 1.00 74.03 H new ATOM 0 HH22 ARG A 14 4.324 18.654 13.555 1.00 74.03 H new ATOM 239 N LEU A 15 1.919 9.994 15.370 1.00 51.23 N ATOM 240 CA LEU A 15 2.044 8.913 16.351 1.00 10.55 C ATOM 241 C LEU A 15 3.330 9.059 17.189 1.00 15.13 C ATOM 242 O LEU A 15 4.357 9.515 16.692 1.00 73.20 O ATOM 243 CB LEU A 15 1.989 7.542 15.634 1.00 0.13 C ATOM 244 CG LEU A 15 2.743 7.434 14.285 1.00 50.22 C ATOM 245 CD1 LEU A 15 4.254 7.536 14.465 1.00 4.12 C ATOM 246 CD2 LEU A 15 2.379 6.140 13.563 1.00 22.30 C ATOM 0 H LEU A 15 2.273 9.759 14.443 1.00 51.23 H new ATOM 0 HA LEU A 15 1.205 8.975 17.044 1.00 10.55 H new ATOM 0 HB2 LEU A 15 2.391 6.788 16.310 1.00 0.13 H new ATOM 0 HB3 LEU A 15 0.943 7.290 15.461 1.00 0.13 H new ATOM 0 HG LEU A 15 2.428 8.279 13.673 1.00 50.22 H new ATOM 0 HD11 LEU A 15 4.742 7.455 13.494 1.00 4.12 H new ATOM 0 HD12 LEU A 15 4.503 8.496 14.917 1.00 4.12 H new ATOM 0 HD13 LEU A 15 4.599 6.730 15.113 1.00 4.12 H new ATOM 0 HD21 LEU A 15 2.920 6.086 12.618 1.00 22.30 H new ATOM 0 HD22 LEU A 15 2.650 5.287 14.186 1.00 22.30 H new ATOM 0 HD23 LEU A 15 1.307 6.121 13.368 1.00 22.30 H new ATOM 258 N PHE A 16 3.260 8.695 18.468 1.00 3.34 N ATOM 259 CA PHE A 16 4.435 8.751 19.352 1.00 21.43 C ATOM 260 C PHE A 16 4.787 7.365 19.907 1.00 75.13 C ATOM 261 O PHE A 16 3.995 6.748 20.623 1.00 63.21 O ATOM 262 CB PHE A 16 4.194 9.727 20.511 1.00 31.14 C ATOM 263 CG PHE A 16 4.130 11.176 20.092 1.00 35.24 C ATOM 264 CD1 PHE A 16 2.931 11.747 19.690 1.00 60.43 C ATOM 265 CD2 PHE A 16 5.270 11.969 20.107 1.00 5.10 C ATOM 266 CE1 PHE A 16 2.871 13.074 19.314 1.00 43.24 C ATOM 267 CE2 PHE A 16 5.213 13.297 19.732 1.00 11.32 C ATOM 268 CZ PHE A 16 4.013 13.850 19.336 1.00 70.24 C ATOM 0 H PHE A 16 2.409 8.359 18.919 1.00 3.34 H new ATOM 0 HA PHE A 16 5.275 9.104 18.754 1.00 21.43 H new ATOM 0 HB2 PHE A 16 3.261 9.462 21.007 1.00 31.14 H new ATOM 0 HB3 PHE A 16 4.991 9.607 21.245 1.00 31.14 H new ATOM 0 HD1 PHE A 16 2.034 11.146 19.671 1.00 60.43 H new ATOM 0 HD2 PHE A 16 6.213 11.542 20.416 1.00 5.10 H new ATOM 0 HE1 PHE A 16 1.931 13.505 19.003 1.00 43.24 H new ATOM 0 HE2 PHE A 16 6.107 13.902 19.749 1.00 11.32 H new ATOM 0 HZ PHE A 16 3.967 14.889 19.044 1.00 70.24 H new ATOM 278 N LEU A 17 5.984 6.889 19.577 1.00 53.35 N ATOM 279 CA LEU A 17 6.468 5.593 20.059 1.00 53.20 C ATOM 280 C LEU A 17 7.999 5.514 19.962 1.00 42.33 C ATOM 281 O LEU A 17 8.626 6.308 19.260 1.00 50.33 O ATOM 282 CB LEU A 17 5.821 4.432 19.274 1.00 73.11 C ATOM 283 CG LEU A 17 6.252 4.273 17.799 1.00 61.22 C ATOM 284 CD1 LEU A 17 5.601 3.038 17.180 1.00 54.32 C ATOM 285 CD2 LEU A 17 5.911 5.514 16.976 1.00 3.44 C ATOM 0 H LEU A 17 6.642 7.383 18.974 1.00 53.35 H new ATOM 0 HA LEU A 17 6.181 5.499 21.106 1.00 53.20 H new ATOM 0 HB2 LEU A 17 6.043 3.501 19.796 1.00 73.11 H new ATOM 0 HB3 LEU A 17 4.739 4.563 19.301 1.00 73.11 H new ATOM 0 HG LEU A 17 7.335 4.149 17.787 1.00 61.22 H new ATOM 0 HD11 LEU A 17 5.916 2.943 16.141 1.00 54.32 H new ATOM 0 HD12 LEU A 17 5.905 2.150 17.734 1.00 54.32 H new ATOM 0 HD13 LEU A 17 4.516 3.139 17.222 1.00 54.32 H new ATOM 0 HD21 LEU A 17 6.229 5.365 15.944 1.00 3.44 H new ATOM 0 HD22 LEU A 17 4.835 5.684 17.003 1.00 3.44 H new ATOM 0 HD23 LEU A 17 6.426 6.380 17.393 1.00 3.44 H new ATOM 297 N ASP A 18 8.590 4.560 20.674 1.00 55.24 N ATOM 298 CA ASP A 18 10.043 4.375 20.668 1.00 54.14 C ATOM 299 C ASP A 18 10.556 3.909 19.289 1.00 31.14 C ATOM 300 O ASP A 18 9.913 3.092 18.622 1.00 33.45 O ATOM 301 CB ASP A 18 10.433 3.366 21.749 1.00 30.54 C ATOM 302 CG ASP A 18 10.082 3.856 23.143 1.00 42.41 C ATOM 303 OD1 ASP A 18 8.928 3.659 23.578 1.00 44.25 O ATOM 304 OD2 ASP A 18 10.958 4.440 23.813 1.00 42.43 O ATOM 0 H ASP A 18 8.086 3.899 21.265 1.00 55.24 H new ATOM 0 HA ASP A 18 10.509 5.338 20.878 1.00 54.14 H new ATOM 0 HB2 ASP A 18 9.927 2.419 21.560 1.00 30.54 H new ATOM 0 HB3 ASP A 18 11.504 3.171 21.693 1.00 30.54 H new ATOM 309 N PRO A 19 11.734 4.412 18.851 1.00 3.42 N ATOM 310 CA PRO A 19 12.302 4.083 17.530 1.00 73.13 C ATOM 311 C PRO A 19 12.461 2.568 17.326 1.00 13.53 C ATOM 312 O PRO A 19 12.181 2.039 16.246 1.00 32.32 O ATOM 313 CB PRO A 19 13.674 4.789 17.531 1.00 34.40 C ATOM 314 CG PRO A 19 13.946 5.139 18.960 1.00 44.20 C ATOM 315 CD PRO A 19 12.602 5.330 19.608 1.00 21.52 C ATOM 0 HA PRO A 19 11.654 4.408 16.716 1.00 73.13 H new ATOM 0 HB2 PRO A 19 14.451 4.136 17.133 1.00 34.40 H new ATOM 0 HB3 PRO A 19 13.656 5.682 16.906 1.00 34.40 H new ATOM 0 HG2 PRO A 19 14.508 4.347 19.455 1.00 44.20 H new ATOM 0 HG3 PRO A 19 14.545 6.047 19.031 1.00 44.20 H new ATOM 0 HD2 PRO A 19 12.626 5.079 20.669 1.00 21.52 H new ATOM 0 HD3 PRO A 19 12.261 6.362 19.532 1.00 21.52 H new ATOM 323 N ASP A 20 12.892 1.876 18.380 1.00 4.44 N ATOM 324 CA ASP A 20 13.017 0.415 18.364 1.00 73.22 C ATOM 325 C ASP A 20 11.673 -0.265 18.038 1.00 5.22 C ATOM 326 O ASP A 20 11.609 -1.189 17.224 1.00 22.30 O ATOM 327 CB ASP A 20 13.558 -0.077 19.715 1.00 13.45 C ATOM 328 CG ASP A 20 12.869 0.594 20.894 1.00 11.35 C ATOM 329 OD1 ASP A 20 11.707 0.248 21.190 1.00 71.32 O ATOM 330 OD2 ASP A 20 13.486 1.487 21.516 1.00 44.12 O ATOM 0 H ASP A 20 13.163 2.306 19.264 1.00 4.44 H new ATOM 0 HA ASP A 20 13.719 0.143 17.576 1.00 73.22 H new ATOM 0 HB2 ASP A 20 13.424 -1.156 19.786 1.00 13.45 H new ATOM 0 HB3 ASP A 20 14.630 0.115 19.766 1.00 13.45 H new ATOM 335 N THR A 21 10.601 0.206 18.674 1.00 12.34 N ATOM 336 CA THR A 21 9.259 -0.343 18.446 1.00 45.31 C ATOM 337 C THR A 21 8.699 0.083 17.078 1.00 22.10 C ATOM 338 O THR A 21 7.970 -0.666 16.428 1.00 62.42 O ATOM 339 CB THR A 21 8.270 0.101 19.553 1.00 63.14 C ATOM 340 OG1 THR A 21 8.788 -0.237 20.852 1.00 20.42 O ATOM 341 CG2 THR A 21 6.904 -0.558 19.370 1.00 34.21 C ATOM 0 H THR A 21 10.633 0.967 19.352 1.00 12.34 H new ATOM 0 HA THR A 21 9.361 -1.428 18.469 1.00 45.31 H new ATOM 0 HB THR A 21 8.152 1.182 19.475 1.00 63.14 H new ATOM 0 HG1 THR A 21 9.743 -0.021 20.890 1.00 20.42 H new ATOM 0 HG21 THR A 21 6.232 -0.227 20.162 1.00 34.21 H new ATOM 0 HG22 THR A 21 6.491 -0.276 18.402 1.00 34.21 H new ATOM 0 HG23 THR A 21 7.014 -1.641 19.416 1.00 34.21 H new ATOM 349 N ALA A 22 9.048 1.289 16.641 1.00 52.45 N ATOM 350 CA ALA A 22 8.570 1.810 15.355 1.00 14.40 C ATOM 351 C ALA A 22 9.070 0.964 14.173 1.00 22.11 C ATOM 352 O ALA A 22 8.298 0.624 13.272 1.00 55.04 O ATOM 353 CB ALA A 22 8.998 3.262 15.193 1.00 54.22 C ATOM 0 H ALA A 22 9.658 1.926 17.153 1.00 52.45 H new ATOM 0 HA ALA A 22 7.481 1.754 15.354 1.00 14.40 H new ATOM 0 HB1 ALA A 22 8.640 3.642 14.236 1.00 54.22 H new ATOM 0 HB2 ALA A 22 8.575 3.858 16.002 1.00 54.22 H new ATOM 0 HB3 ALA A 22 10.086 3.326 15.225 1.00 54.22 H new ATOM 359 N ILE A 23 10.358 0.615 14.194 1.00 11.43 N ATOM 360 CA ILE A 23 10.961 -0.212 13.137 1.00 44.01 C ATOM 361 C ILE A 23 10.220 -1.547 12.965 1.00 22.35 C ATOM 362 O ILE A 23 9.814 -1.901 11.857 1.00 21.24 O ATOM 363 CB ILE A 23 12.463 -0.491 13.420 1.00 70.11 C ATOM 364 CG1 ILE A 23 13.246 0.831 13.489 1.00 42.32 C ATOM 365 CG2 ILE A 23 13.055 -1.420 12.355 1.00 62.34 C ATOM 366 CD1 ILE A 23 14.724 0.660 13.791 1.00 14.14 C ATOM 0 H ILE A 23 11.007 0.891 14.931 1.00 11.43 H new ATOM 0 HA ILE A 23 10.873 0.358 12.212 1.00 44.01 H new ATOM 0 HB ILE A 23 12.546 -0.992 14.384 1.00 70.11 H new ATOM 0 HG12 ILE A 23 13.138 1.355 12.539 1.00 42.32 H new ATOM 0 HG13 ILE A 23 12.800 1.465 14.255 1.00 42.32 H new ATOM 0 HG21 ILE A 23 14.107 -1.601 12.574 1.00 62.34 H new ATOM 0 HG22 ILE A 23 12.516 -2.367 12.358 1.00 62.34 H new ATOM 0 HG23 ILE A 23 12.964 -0.954 11.374 1.00 62.34 H new ATOM 0 HD11 ILE A 23 15.204 1.638 13.823 1.00 14.14 H new ATOM 0 HD12 ILE A 23 14.844 0.166 14.755 1.00 14.14 H new ATOM 0 HD13 ILE A 23 15.187 0.053 13.012 1.00 14.14 H new ATOM 378 N GLU A 24 10.028 -2.279 14.065 1.00 64.42 N ATOM 379 CA GLU A 24 9.366 -3.587 14.002 1.00 72.11 C ATOM 380 C GLU A 24 7.926 -3.465 13.469 1.00 4.41 C ATOM 381 O GLU A 24 7.509 -4.259 12.629 1.00 71.44 O ATOM 382 CB GLU A 24 9.381 -4.286 15.374 1.00 4.50 C ATOM 383 CG GLU A 24 8.590 -3.572 16.461 1.00 12.32 C ATOM 384 CD GLU A 24 8.649 -4.291 17.799 1.00 12.14 C ATOM 385 OE1 GLU A 24 9.673 -4.163 18.503 1.00 71.10 O ATOM 386 OE2 GLU A 24 7.678 -4.994 18.149 1.00 13.31 O ATOM 0 H GLU A 24 10.317 -1.994 15.001 1.00 64.42 H new ATOM 0 HA GLU A 24 9.931 -4.203 13.302 1.00 72.11 H new ATOM 0 HB2 GLU A 24 8.983 -5.294 15.257 1.00 4.50 H new ATOM 0 HB3 GLU A 24 10.415 -4.387 15.703 1.00 4.50 H new ATOM 0 HG2 GLU A 24 8.976 -2.560 16.580 1.00 12.32 H new ATOM 0 HG3 GLU A 24 7.550 -3.481 16.148 1.00 12.32 H new ATOM 393 N ARG A 25 7.177 -2.460 13.939 1.00 72.44 N ATOM 394 CA ARG A 25 5.798 -2.257 13.469 1.00 53.53 C ATOM 395 C ARG A 25 5.761 -1.981 11.958 1.00 15.44 C ATOM 396 O ARG A 25 4.982 -2.592 11.224 1.00 51.41 O ATOM 397 CB ARG A 25 5.108 -1.103 14.219 1.00 62.30 C ATOM 398 CG ARG A 25 5.080 -1.268 15.737 1.00 31.54 C ATOM 399 CD ARG A 25 3.817 -0.673 16.356 1.00 4.41 C ATOM 400 NE ARG A 25 2.615 -1.405 15.949 1.00 21.23 N ATOM 401 CZ ARG A 25 1.446 -1.289 16.522 1.00 73.31 C ATOM 402 NH1 ARG A 25 1.259 -0.433 17.476 1.00 42.21 N ATOM 403 NH2 ARG A 25 0.454 -2.024 16.122 1.00 63.11 N ATOM 0 H ARG A 25 7.494 -1.784 14.633 1.00 72.44 H new ATOM 0 HA ARG A 25 5.255 -3.180 13.675 1.00 53.53 H new ATOM 0 HB2 ARG A 25 5.618 -0.171 13.976 1.00 62.30 H new ATOM 0 HB3 ARG A 25 4.084 -1.010 13.856 1.00 62.30 H new ATOM 0 HG2 ARG A 25 5.142 -2.327 15.987 1.00 31.54 H new ATOM 0 HG3 ARG A 25 5.957 -0.787 16.170 1.00 31.54 H new ATOM 0 HD2 ARG A 25 3.902 -0.690 17.443 1.00 4.41 H new ATOM 0 HD3 ARG A 25 3.724 0.372 16.059 1.00 4.41 H new ATOM 0 HE ARG A 25 2.696 -2.050 15.163 1.00 21.23 H new ATOM 0 HH11 ARG A 25 2.029 0.160 17.788 1.00 42.21 H new ATOM 0 HH12 ARG A 25 0.342 -0.351 17.916 1.00 42.21 H new ATOM 0 HH21 ARG A 25 0.587 -2.691 15.362 1.00 63.11 H new ATOM 0 HH22 ARG A 25 -0.459 -1.935 16.568 1.00 63.11 H new ATOM 417 N LEU A 26 6.616 -1.069 11.500 1.00 24.20 N ATOM 418 CA LEU A 26 6.688 -0.718 10.078 1.00 34.24 C ATOM 419 C LEU A 26 7.093 -1.934 9.226 1.00 14.33 C ATOM 420 O LEU A 26 6.585 -2.130 8.120 1.00 62.42 O ATOM 421 CB LEU A 26 7.681 0.433 9.869 1.00 3.41 C ATOM 422 CG LEU A 26 7.750 0.994 8.438 1.00 75.33 C ATOM 423 CD1 LEU A 26 6.396 1.553 8.005 1.00 10.54 C ATOM 424 CD2 LEU A 26 8.836 2.062 8.331 1.00 42.41 C ATOM 0 H LEU A 26 7.271 -0.557 12.092 1.00 24.20 H new ATOM 0 HA LEU A 26 5.697 -0.397 9.756 1.00 34.24 H new ATOM 0 HB2 LEU A 26 7.418 1.245 10.547 1.00 3.41 H new ATOM 0 HB3 LEU A 26 8.675 0.089 10.154 1.00 3.41 H new ATOM 0 HG LEU A 26 8.007 0.176 7.765 1.00 75.33 H new ATOM 0 HD11 LEU A 26 6.471 1.943 6.990 1.00 10.54 H new ATOM 0 HD12 LEU A 26 5.649 0.760 8.034 1.00 10.54 H new ATOM 0 HD13 LEU A 26 6.100 2.355 8.681 1.00 10.54 H new ATOM 0 HD21 LEU A 26 8.869 2.446 7.312 1.00 42.41 H new ATOM 0 HD22 LEU A 26 8.613 2.877 9.019 1.00 42.41 H new ATOM 0 HD23 LEU A 26 9.802 1.626 8.586 1.00 42.41 H new ATOM 436 N GLN A 27 8.001 -2.754 9.756 1.00 34.13 N ATOM 437 CA GLN A 27 8.417 -3.993 9.088 1.00 3.34 C ATOM 438 C GLN A 27 7.235 -4.965 8.944 1.00 31.41 C ATOM 439 O GLN A 27 7.083 -5.631 7.917 1.00 34.41 O ATOM 440 CB GLN A 27 9.560 -4.654 9.873 1.00 72.30 C ATOM 441 CG GLN A 27 10.901 -3.925 9.753 1.00 23.40 C ATOM 442 CD GLN A 27 11.566 -4.127 8.395 1.00 3.30 C ATOM 443 OE1 GLN A 27 11.367 -5.141 7.733 1.00 33.34 O ATOM 444 NE2 GLN A 27 12.381 -3.179 7.979 1.00 15.42 N ATOM 0 H GLN A 27 8.465 -2.584 10.648 1.00 34.13 H new ATOM 0 HA GLN A 27 8.770 -3.742 8.088 1.00 3.34 H new ATOM 0 HB2 GLN A 27 9.281 -4.708 10.925 1.00 72.30 H new ATOM 0 HB3 GLN A 27 9.683 -5.679 9.523 1.00 72.30 H new ATOM 0 HG2 GLN A 27 10.746 -2.859 9.921 1.00 23.40 H new ATOM 0 HG3 GLN A 27 11.572 -4.277 10.537 1.00 23.40 H new ATOM 0 HE21 GLN A 27 12.528 -2.346 8.549 1.00 15.42 H new ATOM 0 HE22 GLN A 27 12.865 -3.278 7.086 1.00 15.42 H new ATOM 453 N ARG A 28 6.397 -5.032 9.978 1.00 61.52 N ATOM 454 CA ARG A 28 5.197 -5.873 9.949 1.00 42.02 C ATOM 455 C ARG A 28 4.189 -5.361 8.913 1.00 33.12 C ATOM 456 O ARG A 28 3.600 -6.145 8.172 1.00 40.11 O ATOM 457 CB ARG A 28 4.540 -5.920 11.335 1.00 2.43 C ATOM 458 CG ARG A 28 5.457 -6.454 12.426 1.00 21.21 C ATOM 459 CD ARG A 28 4.739 -6.574 13.765 1.00 1.43 C ATOM 460 NE ARG A 28 5.654 -6.946 14.843 1.00 41.11 N ATOM 461 CZ ARG A 28 5.325 -6.992 16.107 1.00 40.42 C ATOM 462 NH1 ARG A 28 4.108 -6.766 16.488 1.00 1.24 N ATOM 463 NH2 ARG A 28 6.212 -7.289 16.994 1.00 32.23 N ATOM 0 H ARG A 28 6.526 -4.514 10.847 1.00 61.52 H new ATOM 0 HA ARG A 28 5.503 -6.880 9.665 1.00 42.02 H new ATOM 0 HB2 ARG A 28 4.212 -4.917 11.607 1.00 2.43 H new ATOM 0 HB3 ARG A 28 3.648 -6.544 11.284 1.00 2.43 H new ATOM 0 HG2 ARG A 28 5.841 -7.431 12.131 1.00 21.21 H new ATOM 0 HG3 ARG A 28 6.317 -5.793 12.533 1.00 21.21 H new ATOM 0 HD2 ARG A 28 4.260 -5.625 14.007 1.00 1.43 H new ATOM 0 HD3 ARG A 28 3.948 -7.320 13.687 1.00 1.43 H new ATOM 0 HE ARG A 28 6.613 -7.186 14.592 1.00 41.11 H new ATOM 0 HH11 ARG A 28 3.390 -6.548 15.798 1.00 1.24 H new ATOM 0 HH12 ARG A 28 3.868 -6.806 17.479 1.00 1.24 H new ATOM 0 HH21 ARG A 28 7.171 -7.488 16.709 1.00 32.23 H new ATOM 0 HH22 ARG A 28 5.955 -7.325 17.980 1.00 32.23 H new ATOM 477 N LEU A 29 3.994 -4.042 8.866 1.00 45.40 N ATOM 478 CA LEU A 29 3.088 -3.423 7.889 1.00 4.45 C ATOM 479 C LEU A 29 3.587 -3.623 6.447 1.00 23.24 C ATOM 480 O LEU A 29 2.793 -3.832 5.530 1.00 5.42 O ATOM 481 CB LEU A 29 2.915 -1.931 8.192 1.00 22.40 C ATOM 482 CG LEU A 29 2.233 -1.614 9.533 1.00 63.20 C ATOM 483 CD1 LEU A 29 2.158 -0.109 9.754 1.00 62.52 C ATOM 484 CD2 LEU A 29 0.839 -2.239 9.591 1.00 11.15 C ATOM 0 H LEU A 29 4.450 -3.379 9.492 1.00 45.40 H new ATOM 0 HA LEU A 29 2.120 -3.917 7.976 1.00 4.45 H new ATOM 0 HB2 LEU A 29 3.897 -1.457 8.180 1.00 22.40 H new ATOM 0 HB3 LEU A 29 2.333 -1.478 7.390 1.00 22.40 H new ATOM 0 HG LEU A 29 2.834 -2.047 10.333 1.00 63.20 H new ATOM 0 HD11 LEU A 29 1.672 0.095 10.708 1.00 62.52 H new ATOM 0 HD12 LEU A 29 3.165 0.308 9.763 1.00 62.52 H new ATOM 0 HD13 LEU A 29 1.583 0.349 8.949 1.00 62.52 H new ATOM 0 HD21 LEU A 29 0.374 -2.003 10.548 1.00 11.15 H new ATOM 0 HD22 LEU A 29 0.227 -1.840 8.782 1.00 11.15 H new ATOM 0 HD23 LEU A 29 0.921 -3.321 9.485 1.00 11.15 H new ATOM 496 N GLN A 30 4.904 -3.552 6.258 1.00 32.54 N ATOM 497 CA GLN A 30 5.521 -3.873 4.967 1.00 71.21 C ATOM 498 C GLN A 30 5.086 -5.270 4.492 1.00 10.03 C ATOM 499 O GLN A 30 4.525 -5.432 3.407 1.00 14.34 O ATOM 500 CB GLN A 30 7.054 -3.810 5.087 1.00 43.01 C ATOM 501 CG GLN A 30 7.806 -4.340 3.864 1.00 42.13 C ATOM 502 CD GLN A 30 7.574 -3.516 2.608 1.00 25.30 C ATOM 503 OE1 GLN A 30 7.381 -2.306 2.665 1.00 43.21 O ATOM 504 NE2 GLN A 30 7.575 -4.170 1.463 1.00 20.43 N ATOM 0 H GLN A 30 5.567 -3.275 6.982 1.00 32.54 H new ATOM 0 HA GLN A 30 5.190 -3.139 4.232 1.00 71.21 H new ATOM 0 HB2 GLN A 30 7.351 -2.776 5.261 1.00 43.01 H new ATOM 0 HB3 GLN A 30 7.362 -4.381 5.963 1.00 43.01 H new ATOM 0 HG2 GLN A 30 8.873 -4.361 4.084 1.00 42.13 H new ATOM 0 HG3 GLN A 30 7.499 -5.369 3.676 1.00 42.13 H new ATOM 0 HE21 GLN A 30 7.739 -5.177 1.451 1.00 20.43 H new ATOM 0 HE22 GLN A 30 7.412 -3.669 0.589 1.00 20.43 H new ATOM 513 N GLN A 31 5.331 -6.273 5.332 1.00 60.23 N ATOM 514 CA GLN A 31 4.957 -7.656 5.021 1.00 22.41 C ATOM 515 C GLN A 31 3.430 -7.838 4.979 1.00 41.12 C ATOM 516 O GLN A 31 2.918 -8.650 4.210 1.00 30.42 O ATOM 517 CB GLN A 31 5.584 -8.608 6.036 1.00 65.11 C ATOM 518 CG GLN A 31 7.102 -8.509 6.077 1.00 12.23 C ATOM 519 CD GLN A 31 7.740 -9.692 6.767 1.00 23.25 C ATOM 520 OE1 GLN A 31 7.968 -9.686 7.970 1.00 12.31 O ATOM 521 NE2 GLN A 31 8.026 -10.723 6.007 1.00 11.00 N ATOM 0 H GLN A 31 5.788 -6.156 6.236 1.00 60.23 H new ATOM 0 HA GLN A 31 5.339 -7.891 4.028 1.00 22.41 H new ATOM 0 HB2 GLN A 31 5.183 -8.391 7.026 1.00 65.11 H new ATOM 0 HB3 GLN A 31 5.297 -9.631 5.793 1.00 65.11 H new ATOM 0 HG2 GLN A 31 7.486 -8.435 5.059 1.00 12.23 H new ATOM 0 HG3 GLN A 31 7.389 -7.593 6.593 1.00 12.23 H new ATOM 0 HE21 GLN A 31 7.822 -10.692 5.008 1.00 11.00 H new ATOM 0 HE22 GLN A 31 8.452 -11.555 6.415 1.00 11.00 H new ATOM 530 N ALA A 32 2.711 -7.074 5.801 1.00 34.33 N ATOM 531 CA ALA A 32 1.243 -7.096 5.801 1.00 33.42 C ATOM 532 C ALA A 32 0.690 -6.693 4.429 1.00 5.51 C ATOM 533 O ALA A 32 -0.194 -7.354 3.880 1.00 2.41 O ATOM 534 CB ALA A 32 0.692 -6.177 6.889 1.00 73.31 C ATOM 0 H ALA A 32 3.120 -6.430 6.478 1.00 34.33 H new ATOM 0 HA ALA A 32 0.920 -8.115 6.012 1.00 33.42 H new ATOM 0 HB1 ALA A 32 -0.397 -6.207 6.873 1.00 73.31 H new ATOM 0 HB2 ALA A 32 1.050 -6.511 7.863 1.00 73.31 H new ATOM 0 HB3 ALA A 32 1.030 -5.156 6.709 1.00 73.31 H new ATOM 540 N LEU A 33 1.227 -5.607 3.880 1.00 62.10 N ATOM 541 CA LEU A 33 0.901 -5.187 2.518 1.00 53.31 C ATOM 542 C LEU A 33 1.252 -6.299 1.519 1.00 20.01 C ATOM 543 O LEU A 33 0.474 -6.609 0.616 1.00 53.14 O ATOM 544 CB LEU A 33 1.654 -3.894 2.177 1.00 52.30 C ATOM 545 CG LEU A 33 1.435 -3.344 0.757 1.00 22.23 C ATOM 546 CD1 LEU A 33 -0.049 -3.098 0.487 1.00 65.15 C ATOM 547 CD2 LEU A 33 2.245 -2.066 0.553 1.00 72.10 C ATOM 0 H LEU A 33 1.892 -4.999 4.358 1.00 62.10 H new ATOM 0 HA LEU A 33 -0.170 -4.995 2.451 1.00 53.31 H new ATOM 0 HB2 LEU A 33 1.361 -3.126 2.893 1.00 52.30 H new ATOM 0 HB3 LEU A 33 2.721 -4.070 2.317 1.00 52.30 H new ATOM 0 HG LEU A 33 1.782 -4.091 0.043 1.00 22.23 H new ATOM 0 HD11 LEU A 33 -0.175 -2.709 -0.524 1.00 65.15 H new ATOM 0 HD12 LEU A 33 -0.597 -4.035 0.587 1.00 65.15 H new ATOM 0 HD13 LEU A 33 -0.434 -2.374 1.205 1.00 65.15 H new ATOM 0 HD21 LEU A 33 2.080 -1.688 -0.456 1.00 72.10 H new ATOM 0 HD22 LEU A 33 1.929 -1.315 1.278 1.00 72.10 H new ATOM 0 HD23 LEU A 33 3.305 -2.281 0.692 1.00 72.10 H new ATOM 559 N GLU A 34 2.424 -6.912 1.707 1.00 74.34 N ATOM 560 CA GLU A 34 2.848 -8.045 0.879 1.00 52.14 C ATOM 561 C GLU A 34 1.890 -9.245 1.011 1.00 72.12 C ATOM 562 O GLU A 34 1.774 -10.050 0.091 1.00 43.25 O ATOM 563 CB GLU A 34 4.281 -8.476 1.235 1.00 12.20 C ATOM 564 CG GLU A 34 5.349 -7.457 0.846 1.00 52.23 C ATOM 565 CD GLU A 34 6.772 -7.956 1.067 1.00 11.23 C ATOM 566 OE1 GLU A 34 7.010 -9.178 0.936 1.00 13.02 O ATOM 567 OE2 GLU A 34 7.668 -7.127 1.342 1.00 30.40 O ATOM 0 H GLU A 34 3.096 -6.643 2.425 1.00 74.34 H new ATOM 0 HA GLU A 34 2.824 -7.709 -0.158 1.00 52.14 H new ATOM 0 HB2 GLU A 34 4.339 -8.657 2.308 1.00 12.20 H new ATOM 0 HB3 GLU A 34 4.499 -9.422 0.740 1.00 12.20 H new ATOM 0 HG2 GLU A 34 5.224 -7.193 -0.204 1.00 52.23 H new ATOM 0 HG3 GLU A 34 5.198 -6.545 1.424 1.00 52.23 H new ATOM 574 N MET A 35 1.216 -9.376 2.156 1.00 35.24 N ATOM 575 CA MET A 35 0.214 -10.440 2.335 1.00 34.43 C ATOM 576 C MET A 35 -1.055 -10.143 1.523 1.00 34.21 C ATOM 577 O MET A 35 -1.542 -11.000 0.783 1.00 31.23 O ATOM 578 CB MET A 35 -0.148 -10.632 3.817 1.00 12.05 C ATOM 579 CG MET A 35 1.026 -11.056 4.692 1.00 24.11 C ATOM 580 SD MET A 35 0.507 -11.633 6.325 1.00 32.12 S ATOM 581 CE MET A 35 -0.506 -10.260 6.883 1.00 41.03 C ATOM 0 H MET A 35 1.340 -8.769 2.966 1.00 35.24 H new ATOM 0 HA MET A 35 0.660 -11.365 1.969 1.00 34.43 H new ATOM 0 HB2 MET A 35 -0.558 -9.699 4.204 1.00 12.05 H new ATOM 0 HB3 MET A 35 -0.935 -11.382 3.894 1.00 12.05 H new ATOM 0 HG2 MET A 35 1.580 -11.849 4.190 1.00 24.11 H new ATOM 0 HG3 MET A 35 1.709 -10.215 4.809 1.00 24.11 H new ATOM 0 HE1 MET A 35 0.034 -9.694 7.642 1.00 41.03 H new ATOM 0 HE2 MET A 35 -0.734 -9.609 6.039 1.00 41.03 H new ATOM 0 HE3 MET A 35 -1.434 -10.642 7.308 1.00 41.03 H new ATOM 591 N GLY A 36 -1.576 -8.922 1.657 1.00 72.15 N ATOM 592 CA GLY A 36 -2.735 -8.508 0.867 1.00 50.51 C ATOM 593 C GLY A 36 -2.488 -8.644 -0.632 1.00 52.02 C ATOM 594 O GLY A 36 -3.326 -9.166 -1.371 1.00 3.41 O ATOM 0 H GLY A 36 -1.219 -8.212 2.296 1.00 72.15 H new ATOM 0 HA2 GLY A 36 -3.598 -9.111 1.148 1.00 50.51 H new ATOM 0 HA3 GLY A 36 -2.981 -7.472 1.101 1.00 50.51 H new ATOM 598 N VAL A 37 -1.322 -8.183 -1.077 1.00 72.24 N ATOM 599 CA VAL A 37 -0.899 -8.360 -2.468 1.00 52.42 C ATOM 600 C VAL A 37 -0.708 -9.851 -2.803 1.00 34.32 C ATOM 601 O VAL A 37 -1.080 -10.304 -3.885 1.00 31.14 O ATOM 602 CB VAL A 37 0.413 -7.585 -2.753 1.00 25.32 C ATOM 603 CG1 VAL A 37 0.886 -7.809 -4.187 1.00 31.00 C ATOM 604 CG2 VAL A 37 0.226 -6.094 -2.471 1.00 10.02 C ATOM 0 H VAL A 37 -0.650 -7.683 -0.495 1.00 72.24 H new ATOM 0 HA VAL A 37 -1.688 -7.958 -3.103 1.00 52.42 H new ATOM 0 HB VAL A 37 1.184 -7.969 -2.085 1.00 25.32 H new ATOM 0 HG11 VAL A 37 1.808 -7.253 -4.357 1.00 31.00 H new ATOM 0 HG12 VAL A 37 1.068 -8.872 -4.348 1.00 31.00 H new ATOM 0 HG13 VAL A 37 0.120 -7.463 -4.881 1.00 31.00 H new ATOM 0 HG21 VAL A 37 1.157 -5.565 -2.676 1.00 10.02 H new ATOM 0 HG22 VAL A 37 -0.564 -5.699 -3.110 1.00 10.02 H new ATOM 0 HG23 VAL A 37 -0.048 -5.953 -1.426 1.00 10.02 H new ATOM 614 N SER A 38 -0.152 -10.617 -1.859 1.00 73.54 N ATOM 615 CA SER A 38 0.050 -12.067 -2.047 1.00 32.34 C ATOM 616 C SER A 38 -1.279 -12.778 -2.327 1.00 3.23 C ATOM 617 O SER A 38 -1.338 -13.713 -3.128 1.00 14.23 O ATOM 618 CB SER A 38 0.711 -12.693 -0.810 1.00 5.54 C ATOM 619 OG SER A 38 1.019 -14.064 -1.015 1.00 44.21 O ATOM 0 H SER A 38 0.167 -10.263 -0.957 1.00 73.54 H new ATOM 0 HA SER A 38 0.707 -12.194 -2.907 1.00 32.34 H new ATOM 0 HB2 SER A 38 1.623 -12.147 -0.570 1.00 5.54 H new ATOM 0 HB3 SER A 38 0.045 -12.594 0.047 1.00 5.54 H new ATOM 0 HG SER A 38 1.439 -14.429 -0.209 1.00 44.21 H new ATOM 625 N SER A 39 -2.346 -12.331 -1.662 1.00 62.12 N ATOM 626 CA SER A 39 -3.693 -12.867 -1.908 1.00 63.53 C ATOM 627 C SER A 39 -4.080 -12.718 -3.388 1.00 63.20 C ATOM 628 O SER A 39 -4.656 -13.628 -3.994 1.00 25.44 O ATOM 629 CB SER A 39 -4.730 -12.161 -1.021 1.00 42.03 C ATOM 630 OG SER A 39 -6.027 -12.710 -1.210 1.00 74.02 O ATOM 0 H SER A 39 -2.308 -11.601 -0.950 1.00 62.12 H new ATOM 0 HA SER A 39 -3.681 -13.928 -1.657 1.00 63.53 H new ATOM 0 HB2 SER A 39 -4.441 -12.255 0.026 1.00 42.03 H new ATOM 0 HB3 SER A 39 -4.746 -11.096 -1.253 1.00 42.03 H new ATOM 0 HG SER A 39 -6.667 -12.244 -0.633 1.00 74.02 H new ATOM 636 N LEU A 40 -3.737 -11.571 -3.971 1.00 13.42 N ATOM 637 CA LEU A 40 -3.954 -11.326 -5.400 1.00 34.52 C ATOM 638 C LEU A 40 -3.024 -12.210 -6.254 1.00 44.51 C ATOM 639 O LEU A 40 -3.462 -12.855 -7.207 1.00 53.11 O ATOM 640 CB LEU A 40 -3.717 -9.840 -5.718 1.00 64.55 C ATOM 641 CG LEU A 40 -4.036 -9.415 -7.162 1.00 2.32 C ATOM 642 CD1 LEU A 40 -5.524 -9.575 -7.464 1.00 54.42 C ATOM 643 CD2 LEU A 40 -3.584 -7.976 -7.414 1.00 1.22 C ATOM 0 H LEU A 40 -3.305 -10.791 -3.475 1.00 13.42 H new ATOM 0 HA LEU A 40 -4.985 -11.583 -5.644 1.00 34.52 H new ATOM 0 HB2 LEU A 40 -4.322 -9.240 -5.039 1.00 64.55 H new ATOM 0 HB3 LEU A 40 -2.674 -9.603 -5.510 1.00 64.55 H new ATOM 0 HG LEU A 40 -3.484 -10.070 -7.836 1.00 2.32 H new ATOM 0 HD11 LEU A 40 -5.722 -9.268 -8.491 1.00 54.42 H new ATOM 0 HD12 LEU A 40 -5.811 -10.619 -7.336 1.00 54.42 H new ATOM 0 HD13 LEU A 40 -6.103 -8.953 -6.781 1.00 54.42 H new ATOM 0 HD21 LEU A 40 -3.819 -7.695 -8.441 1.00 1.22 H new ATOM 0 HD22 LEU A 40 -4.102 -7.306 -6.727 1.00 1.22 H new ATOM 0 HD23 LEU A 40 -2.509 -7.899 -7.254 1.00 1.22 H new ATOM 655 N MET A 41 -1.736 -12.240 -5.892 1.00 44.43 N ATOM 656 CA MET A 41 -0.746 -13.096 -6.569 1.00 63.04 C ATOM 657 C MET A 41 -1.131 -14.586 -6.511 1.00 62.35 C ATOM 658 O MET A 41 -0.698 -15.378 -7.349 1.00 50.55 O ATOM 659 CB MET A 41 0.649 -12.890 -5.962 1.00 43.31 C ATOM 660 CG MET A 41 1.386 -11.648 -6.467 1.00 24.43 C ATOM 661 SD MET A 41 0.416 -10.128 -6.348 1.00 30.30 S ATOM 662 CE MET A 41 -0.304 -10.010 -7.988 1.00 65.24 C ATOM 0 H MET A 41 -1.351 -11.680 -5.131 1.00 44.43 H new ATOM 0 HA MET A 41 -0.730 -12.799 -7.618 1.00 63.04 H new ATOM 0 HB2 MET A 41 0.553 -12.824 -4.878 1.00 43.31 H new ATOM 0 HB3 MET A 41 1.257 -13.769 -6.175 1.00 43.31 H new ATOM 0 HG2 MET A 41 2.307 -11.526 -5.897 1.00 24.43 H new ATOM 0 HG3 MET A 41 1.673 -11.805 -7.507 1.00 24.43 H new ATOM 0 HE1 MET A 41 -0.537 -8.968 -8.209 1.00 65.24 H new ATOM 0 HE2 MET A 41 0.405 -10.387 -8.725 1.00 65.24 H new ATOM 0 HE3 MET A 41 -1.218 -10.603 -8.028 1.00 65.24 H new ATOM 672 N ALA A 42 -1.921 -14.967 -5.510 1.00 3.24 N ATOM 673 CA ALA A 42 -2.441 -16.336 -5.409 1.00 72.03 C ATOM 674 C ALA A 42 -3.572 -16.578 -6.422 1.00 2.00 C ATOM 675 O ALA A 42 -3.692 -17.664 -6.991 1.00 25.14 O ATOM 676 CB ALA A 42 -2.929 -16.610 -3.989 1.00 45.12 C ATOM 0 H ALA A 42 -2.218 -14.349 -4.755 1.00 3.24 H new ATOM 0 HA ALA A 42 -1.630 -17.025 -5.644 1.00 72.03 H new ATOM 0 HB1 ALA A 42 -3.312 -17.628 -3.926 1.00 45.12 H new ATOM 0 HB2 ALA A 42 -2.101 -16.490 -3.290 1.00 45.12 H new ATOM 0 HB3 ALA A 42 -3.723 -15.907 -3.735 1.00 45.12 H new ATOM 682 N LEU A 43 -4.389 -15.551 -6.645 1.00 54.11 N ATOM 683 CA LEU A 43 -5.520 -15.633 -7.580 1.00 44.34 C ATOM 684 C LEU A 43 -5.069 -15.529 -9.048 1.00 70.20 C ATOM 685 O LEU A 43 -5.690 -16.110 -9.944 1.00 25.24 O ATOM 686 CB LEU A 43 -6.525 -14.522 -7.252 1.00 33.32 C ATOM 687 CG LEU A 43 -7.275 -14.699 -5.921 1.00 31.44 C ATOM 688 CD1 LEU A 43 -7.912 -13.388 -5.481 1.00 24.43 C ATOM 689 CD2 LEU A 43 -8.337 -15.785 -6.051 1.00 42.30 C ATOM 0 H LEU A 43 -4.291 -14.644 -6.189 1.00 54.11 H new ATOM 0 HA LEU A 43 -5.989 -16.610 -7.461 1.00 44.34 H new ATOM 0 HB2 LEU A 43 -5.997 -13.569 -7.230 1.00 33.32 H new ATOM 0 HB3 LEU A 43 -7.256 -14.463 -8.059 1.00 33.32 H new ATOM 0 HG LEU A 43 -6.555 -15.002 -5.161 1.00 31.44 H new ATOM 0 HD11 LEU A 43 -8.437 -13.537 -4.537 1.00 24.43 H new ATOM 0 HD12 LEU A 43 -7.137 -12.633 -5.350 1.00 24.43 H new ATOM 0 HD13 LEU A 43 -8.619 -13.054 -6.241 1.00 24.43 H new ATOM 0 HD21 LEU A 43 -8.859 -15.899 -5.101 1.00 42.30 H new ATOM 0 HD22 LEU A 43 -9.050 -15.505 -6.826 1.00 42.30 H new ATOM 0 HD23 LEU A 43 -7.862 -16.729 -6.319 1.00 42.30 H new ATOM 701 N VAL A 44 -3.998 -14.780 -9.305 1.00 63.42 N ATOM 702 CA VAL A 44 -3.455 -14.680 -10.661 1.00 12.35 C ATOM 703 C VAL A 44 -2.476 -15.836 -10.951 1.00 72.13 C ATOM 704 O VAL A 44 -1.252 -15.676 -10.942 1.00 11.10 O ATOM 705 CB VAL A 44 -2.789 -13.296 -10.931 1.00 63.33 C ATOM 706 CG1 VAL A 44 -1.647 -13.014 -9.958 1.00 63.50 C ATOM 707 CG2 VAL A 44 -2.313 -13.195 -12.382 1.00 63.53 C ATOM 0 H VAL A 44 -3.493 -14.239 -8.603 1.00 63.42 H new ATOM 0 HA VAL A 44 -4.296 -14.765 -11.349 1.00 12.35 H new ATOM 0 HB VAL A 44 -3.548 -12.531 -10.766 1.00 63.33 H new ATOM 0 HG11 VAL A 44 -1.211 -12.040 -10.181 1.00 63.50 H new ATOM 0 HG12 VAL A 44 -2.030 -13.015 -8.937 1.00 63.50 H new ATOM 0 HG13 VAL A 44 -0.884 -13.785 -10.060 1.00 63.50 H new ATOM 0 HG21 VAL A 44 -1.852 -12.221 -12.547 1.00 63.53 H new ATOM 0 HG22 VAL A 44 -1.584 -13.980 -12.581 1.00 63.53 H new ATOM 0 HG23 VAL A 44 -3.164 -13.312 -13.053 1.00 63.53 H new ATOM 865 N MET A 54 -11.606 -17.286 -15.605 1.00 62.52 N ATOM 866 CA MET A 54 -11.797 -15.860 -15.345 1.00 64.31 C ATOM 867 C MET A 54 -13.008 -15.626 -14.432 1.00 13.10 C ATOM 868 O MET A 54 -12.878 -15.081 -13.336 1.00 20.21 O ATOM 869 CB MET A 54 -11.969 -15.098 -16.666 1.00 74.31 C ATOM 870 CG MET A 54 -12.214 -13.606 -16.489 1.00 52.35 C ATOM 871 SD MET A 54 -10.951 -12.809 -15.474 1.00 31.03 S ATOM 872 CE MET A 54 -11.498 -11.103 -15.541 1.00 51.35 C ATOM 0 HA MET A 54 -10.910 -15.484 -14.834 1.00 64.31 H new ATOM 0 HB2 MET A 54 -11.076 -15.240 -17.275 1.00 74.31 H new ATOM 0 HB3 MET A 54 -12.804 -15.531 -17.218 1.00 74.31 H new ATOM 0 HG2 MET A 54 -12.243 -13.128 -17.468 1.00 52.35 H new ATOM 0 HG3 MET A 54 -13.192 -13.454 -16.031 1.00 52.35 H new ATOM 0 HE1 MET A 54 -10.689 -10.476 -15.916 1.00 51.35 H new ATOM 0 HE2 MET A 54 -12.358 -11.022 -16.206 1.00 51.35 H new ATOM 0 HE3 MET A 54 -11.781 -10.772 -14.542 1.00 51.35 H new ATOM 882 N GLU A 55 -14.174 -16.073 -14.885 1.00 54.24 N ATOM 883 CA GLU A 55 -15.417 -15.945 -14.118 1.00 33.31 C ATOM 884 C GLU A 55 -15.319 -16.637 -12.747 1.00 21.14 C ATOM 885 O GLU A 55 -15.789 -16.109 -11.737 1.00 42.31 O ATOM 886 CB GLU A 55 -16.578 -16.538 -14.927 1.00 63.22 C ATOM 887 CG GLU A 55 -17.918 -16.539 -14.199 1.00 31.35 C ATOM 888 CD GLU A 55 -19.031 -17.152 -15.033 1.00 70.22 C ATOM 889 OE1 GLU A 55 -19.095 -18.399 -15.124 1.00 34.45 O ATOM 890 OE2 GLU A 55 -19.843 -16.394 -15.605 1.00 13.51 O ATOM 0 H GLU A 55 -14.289 -16.532 -15.788 1.00 54.24 H new ATOM 0 HA GLU A 55 -15.595 -14.885 -13.935 1.00 33.31 H new ATOM 0 HB2 GLU A 55 -16.683 -15.975 -15.855 1.00 63.22 H new ATOM 0 HB3 GLU A 55 -16.327 -17.562 -15.202 1.00 63.22 H new ATOM 0 HG2 GLU A 55 -17.820 -17.093 -13.265 1.00 31.35 H new ATOM 0 HG3 GLU A 55 -18.186 -15.516 -13.936 1.00 31.35 H new ATOM 897 N ARG A 56 -14.681 -17.804 -12.716 1.00 32.42 N ATOM 898 CA ARG A 56 -14.596 -18.619 -11.497 1.00 44.12 C ATOM 899 C ARG A 56 -13.990 -17.838 -10.307 1.00 10.44 C ATOM 900 O ARG A 56 -14.444 -17.975 -9.171 1.00 71.12 O ATOM 901 CB ARG A 56 -13.776 -19.894 -11.787 1.00 13.11 C ATOM 902 CG ARG A 56 -14.099 -21.082 -10.877 1.00 23.24 C ATOM 903 CD ARG A 56 -13.536 -20.926 -9.465 1.00 13.54 C ATOM 904 NE ARG A 56 -12.076 -21.006 -9.431 1.00 63.13 N ATOM 905 CZ ARG A 56 -11.332 -20.494 -8.487 1.00 63.30 C ATOM 906 NH1 ARG A 56 -11.865 -19.814 -7.521 1.00 2.35 N ATOM 907 NH2 ARG A 56 -10.050 -20.664 -8.520 1.00 41.01 N ATOM 0 H ARG A 56 -14.211 -18.212 -13.524 1.00 32.42 H new ATOM 0 HA ARG A 56 -15.610 -18.893 -11.206 1.00 44.12 H new ATOM 0 HB2 ARG A 56 -13.944 -20.190 -12.822 1.00 13.11 H new ATOM 0 HB3 ARG A 56 -12.716 -19.658 -11.691 1.00 13.11 H new ATOM 0 HG2 ARG A 56 -15.181 -21.204 -10.819 1.00 23.24 H new ATOM 0 HG3 ARG A 56 -13.699 -21.993 -11.323 1.00 23.24 H new ATOM 0 HD2 ARG A 56 -13.854 -19.967 -9.055 1.00 13.54 H new ATOM 0 HD3 ARG A 56 -13.954 -21.702 -8.823 1.00 13.54 H new ATOM 0 HE ARG A 56 -11.608 -21.494 -10.195 1.00 63.13 H new ATOM 0 HH11 ARG A 56 -12.875 -19.674 -7.493 1.00 2.35 H new ATOM 0 HH12 ARG A 56 -11.275 -19.419 -6.789 1.00 2.35 H new ATOM 0 HH21 ARG A 56 -9.625 -21.195 -9.280 1.00 41.01 H new ATOM 0 HH22 ARG A 56 -9.464 -20.267 -7.786 1.00 41.01 H new ATOM 921 N HIS A 57 -12.971 -17.013 -10.561 1.00 52.35 N ATOM 922 CA HIS A 57 -12.271 -16.315 -9.467 1.00 20.14 C ATOM 923 C HIS A 57 -12.790 -14.879 -9.251 1.00 35.31 C ATOM 924 O HIS A 57 -12.250 -14.143 -8.426 1.00 4.15 O ATOM 925 CB HIS A 57 -10.754 -16.292 -9.720 1.00 72.34 C ATOM 926 CG HIS A 57 -10.313 -15.332 -10.787 1.00 42.12 C ATOM 927 ND1 HIS A 57 -9.904 -14.040 -10.701 1.00 70.53 N flip ATOM 928 CD2 HIS A 57 -10.246 -15.657 -12.125 1.00 33.33 C flip ATOM 929 CE1 HIS A 57 -9.604 -13.624 -11.972 1.00 43.33 C flip ATOM 930 NE2 HIS A 57 -9.817 -14.615 -12.809 1.00 70.14 N flip ATOM 0 H HIS A 57 -12.613 -16.811 -11.495 1.00 52.35 H new ATOM 0 HA HIS A 57 -12.479 -16.877 -8.556 1.00 20.14 H new ATOM 0 HB2 HIS A 57 -10.247 -16.038 -8.789 1.00 72.34 H new ATOM 0 HB3 HIS A 57 -10.430 -17.295 -9.996 1.00 72.34 H new ATOM 0 HD1 HIS A 57 -9.833 -13.483 -9.849 1.00 70.53 H new ATOM 0 HD2 HIS A 57 -10.505 -16.617 -12.547 1.00 33.33 H new ATOM 0 HE1 HIS A 57 -9.250 -12.640 -12.242 1.00 43.33 H new ATOM 939 N ILE A 58 -13.834 -14.487 -9.982 1.00 53.01 N ATOM 940 CA ILE A 58 -14.391 -13.126 -9.881 1.00 5.44 C ATOM 941 C ILE A 58 -14.893 -12.810 -8.461 1.00 23.43 C ATOM 942 O ILE A 58 -14.535 -11.784 -7.882 1.00 4.24 O ATOM 943 CB ILE A 58 -15.535 -12.921 -10.911 1.00 4.10 C ATOM 944 CG1 ILE A 58 -14.962 -12.886 -12.334 1.00 61.43 C ATOM 945 CG2 ILE A 58 -16.335 -11.650 -10.629 1.00 51.35 C ATOM 946 CD1 ILE A 58 -14.072 -11.692 -12.613 1.00 51.31 C ATOM 0 H ILE A 58 -14.315 -15.088 -10.652 1.00 53.01 H new ATOM 0 HA ILE A 58 -13.581 -12.433 -10.107 1.00 5.44 H new ATOM 0 HB ILE A 58 -16.219 -13.764 -10.818 1.00 4.10 H new ATOM 0 HG12 ILE A 58 -14.392 -13.799 -12.507 1.00 61.43 H new ATOM 0 HG13 ILE A 58 -15.787 -12.885 -13.046 1.00 61.43 H new ATOM 0 HG21 ILE A 58 -17.125 -11.545 -11.373 1.00 51.35 H new ATOM 0 HG22 ILE A 58 -16.778 -11.712 -9.635 1.00 51.35 H new ATOM 0 HG23 ILE A 58 -15.673 -10.785 -10.678 1.00 51.35 H new ATOM 0 HD11 ILE A 58 -13.708 -11.742 -13.639 1.00 51.31 H new ATOM 0 HD12 ILE A 58 -14.642 -10.773 -12.474 1.00 51.31 H new ATOM 0 HD13 ILE A 58 -13.225 -11.701 -11.927 1.00 51.31 H new ATOM 958 N ASN A 59 -15.700 -13.702 -7.898 1.00 3.45 N ATOM 959 CA ASN A 59 -16.223 -13.527 -6.534 1.00 11.24 C ATOM 960 C ASN A 59 -15.088 -13.469 -5.496 1.00 63.14 C ATOM 961 O ASN A 59 -15.194 -12.789 -4.475 1.00 51.42 O ATOM 962 CB ASN A 59 -17.177 -14.675 -6.194 1.00 75.51 C ATOM 963 CG ASN A 59 -18.335 -14.777 -7.169 1.00 63.13 C ATOM 964 OD1 ASN A 59 -18.818 -13.777 -7.691 1.00 23.14 O ATOM 965 ND2 ASN A 59 -18.773 -15.987 -7.435 1.00 40.34 N ATOM 0 H ASN A 59 -16.011 -14.557 -8.360 1.00 3.45 H new ATOM 0 HA ASN A 59 -16.759 -12.579 -6.499 1.00 11.24 H new ATOM 0 HB2 ASN A 59 -16.624 -15.614 -6.192 1.00 75.51 H new ATOM 0 HB3 ASN A 59 -17.567 -14.533 -5.186 1.00 75.51 H new ATOM 0 HD21 ASN A 59 -19.539 -16.118 -8.095 1.00 40.34 H new ATOM 0 HD22 ASN A 59 -18.346 -16.795 -6.981 1.00 40.34 H new ATOM 972 N GLU A 60 -13.998 -14.175 -5.781 1.00 5.42 N ATOM 973 CA GLU A 60 -12.861 -14.273 -4.858 1.00 33.45 C ATOM 974 C GLU A 60 -11.972 -13.021 -4.907 1.00 53.52 C ATOM 975 O GLU A 60 -11.620 -12.453 -3.872 1.00 50.11 O ATOM 976 CB GLU A 60 -12.021 -15.511 -5.206 1.00 61.31 C ATOM 977 CG GLU A 60 -12.812 -16.816 -5.221 1.00 72.32 C ATOM 978 CD GLU A 60 -13.438 -17.150 -3.874 1.00 65.35 C ATOM 979 OE1 GLU A 60 -12.684 -17.442 -2.920 1.00 53.20 O ATOM 980 OE2 GLU A 60 -14.682 -17.128 -3.764 1.00 53.02 O ATOM 0 H GLU A 60 -13.873 -14.694 -6.650 1.00 5.42 H new ATOM 0 HA GLU A 60 -13.261 -14.359 -3.848 1.00 33.45 H new ATOM 0 HB2 GLU A 60 -11.565 -15.364 -6.185 1.00 61.31 H new ATOM 0 HB3 GLU A 60 -11.208 -15.600 -4.485 1.00 61.31 H new ATOM 0 HG2 GLU A 60 -13.598 -16.749 -5.974 1.00 72.32 H new ATOM 0 HG3 GLU A 60 -12.152 -17.630 -5.520 1.00 72.32 H new ATOM 987 N ILE A 61 -11.624 -12.591 -6.119 1.00 51.25 N ATOM 988 CA ILE A 61 -10.680 -11.482 -6.312 1.00 32.42 C ATOM 989 C ILE A 61 -11.191 -10.164 -5.715 1.00 42.50 C ATOM 990 O ILE A 61 -10.401 -9.335 -5.264 1.00 65.31 O ATOM 991 CB ILE A 61 -10.340 -11.292 -7.814 1.00 63.42 C ATOM 992 CG1 ILE A 61 -9.279 -10.196 -8.002 1.00 34.24 C ATOM 993 CG2 ILE A 61 -11.597 -10.969 -8.619 1.00 1.43 C ATOM 994 CD1 ILE A 61 -8.837 -10.019 -9.438 1.00 53.12 C ATOM 0 H ILE A 61 -11.981 -12.992 -6.986 1.00 51.25 H new ATOM 0 HA ILE A 61 -9.772 -11.754 -5.775 1.00 32.42 H new ATOM 0 HB ILE A 61 -9.929 -12.230 -8.187 1.00 63.42 H new ATOM 0 HG12 ILE A 61 -9.677 -9.250 -7.634 1.00 34.24 H new ATOM 0 HG13 ILE A 61 -8.409 -10.435 -7.390 1.00 34.24 H new ATOM 0 HG21 ILE A 61 -11.334 -10.840 -9.669 1.00 1.43 H new ATOM 0 HG22 ILE A 61 -12.311 -11.787 -8.522 1.00 1.43 H new ATOM 0 HG23 ILE A 61 -12.044 -10.049 -8.242 1.00 1.43 H new ATOM 0 HD11 ILE A 61 -8.088 -9.229 -9.493 1.00 53.12 H new ATOM 0 HD12 ILE A 61 -8.409 -10.952 -9.804 1.00 53.12 H new ATOM 0 HD13 ILE A 61 -9.696 -9.748 -10.052 1.00 53.12 H new ATOM 1006 N ARG A 62 -12.508 -9.980 -5.696 1.00 73.55 N ATOM 1007 CA ARG A 62 -13.111 -8.775 -5.106 1.00 1.20 C ATOM 1008 C ARG A 62 -12.672 -8.590 -3.641 1.00 52.55 C ATOM 1009 O ARG A 62 -12.508 -7.465 -3.168 1.00 74.32 O ATOM 1010 CB ARG A 62 -14.643 -8.850 -5.203 1.00 44.12 C ATOM 1011 CG ARG A 62 -15.154 -8.998 -6.634 1.00 22.45 C ATOM 1012 CD ARG A 62 -16.675 -9.114 -6.696 1.00 1.50 C ATOM 1013 NE ARG A 62 -17.341 -7.870 -6.311 1.00 72.31 N ATOM 1014 CZ ARG A 62 -18.630 -7.759 -6.117 1.00 10.53 C ATOM 1015 NH1 ARG A 62 -19.406 -8.790 -6.214 1.00 41.20 N ATOM 1016 NH2 ARG A 62 -19.144 -6.614 -5.814 1.00 31.15 N ATOM 0 H ARG A 62 -13.181 -10.644 -6.079 1.00 73.55 H new ATOM 0 HA ARG A 62 -12.762 -7.910 -5.669 1.00 1.20 H new ATOM 0 HB2 ARG A 62 -14.996 -9.694 -4.610 1.00 44.12 H new ATOM 0 HB3 ARG A 62 -15.072 -7.950 -4.763 1.00 44.12 H new ATOM 0 HG2 ARG A 62 -14.833 -8.139 -7.223 1.00 22.45 H new ATOM 0 HG3 ARG A 62 -14.705 -9.881 -7.088 1.00 22.45 H new ATOM 0 HD2 ARG A 62 -16.976 -9.387 -7.708 1.00 1.50 H new ATOM 0 HD3 ARG A 62 -17.003 -9.918 -6.038 1.00 1.50 H new ATOM 0 HE ARG A 62 -16.765 -7.038 -6.186 1.00 72.31 H new ATOM 0 HH11 ARG A 62 -19.014 -9.703 -6.444 1.00 41.20 H new ATOM 0 HH12 ARG A 62 -20.409 -8.689 -6.060 1.00 41.20 H new ATOM 0 HH21 ARG A 62 -18.545 -5.793 -5.725 1.00 31.15 H new ATOM 0 HH22 ARG A 62 -20.149 -6.530 -5.663 1.00 31.15 H new ATOM 1030 N THR A 63 -12.465 -9.704 -2.939 1.00 14.30 N ATOM 1031 CA THR A 63 -11.983 -9.673 -1.548 1.00 11.43 C ATOM 1032 C THR A 63 -10.497 -9.285 -1.482 1.00 40.23 C ATOM 1033 O THR A 63 -10.099 -8.434 -0.686 1.00 62.24 O ATOM 1034 CB THR A 63 -12.172 -11.043 -0.849 1.00 30.13 C ATOM 1035 OG1 THR A 63 -13.558 -11.419 -0.853 1.00 50.31 O ATOM 1036 CG2 THR A 63 -11.660 -11.011 0.590 1.00 50.24 C ATOM 0 H THR A 63 -12.622 -10.642 -3.306 1.00 14.30 H new ATOM 0 HA THR A 63 -12.578 -8.922 -1.029 1.00 11.43 H new ATOM 0 HB THR A 63 -11.592 -11.778 -1.407 1.00 30.13 H new ATOM 0 HG1 THR A 63 -13.663 -12.287 -0.410 1.00 50.31 H new ATOM 0 HG21 THR A 63 -11.808 -11.988 1.051 1.00 50.24 H new ATOM 0 HG22 THR A 63 -10.598 -10.765 0.593 1.00 50.24 H new ATOM 0 HG23 THR A 63 -12.208 -10.257 1.155 1.00 50.24 H new ATOM 1044 N ALA A 64 -9.681 -9.918 -2.327 1.00 41.34 N ATOM 1045 CA ALA A 64 -8.240 -9.631 -2.379 1.00 63.44 C ATOM 1046 C ALA A 64 -7.970 -8.155 -2.706 1.00 52.22 C ATOM 1047 O ALA A 64 -7.102 -7.525 -2.102 1.00 75.03 O ATOM 1048 CB ALA A 64 -7.553 -10.535 -3.399 1.00 53.14 C ATOM 0 H ALA A 64 -9.990 -10.633 -2.986 1.00 41.34 H new ATOM 0 HA ALA A 64 -7.826 -9.834 -1.391 1.00 63.44 H new ATOM 0 HB1 ALA A 64 -6.487 -10.310 -3.425 1.00 53.14 H new ATOM 0 HB2 ALA A 64 -7.697 -11.578 -3.116 1.00 53.14 H new ATOM 0 HB3 ALA A 64 -7.984 -10.364 -4.385 1.00 53.14 H new ATOM 1054 N VAL A 65 -8.723 -7.612 -3.662 1.00 72.53 N ATOM 1055 CA VAL A 65 -8.640 -6.187 -4.006 1.00 24.51 C ATOM 1056 C VAL A 65 -8.856 -5.307 -2.761 1.00 2.21 C ATOM 1057 O VAL A 65 -8.090 -4.375 -2.502 1.00 64.01 O ATOM 1058 CB VAL A 65 -9.686 -5.813 -5.089 1.00 22.35 C ATOM 1059 CG1 VAL A 65 -9.692 -4.310 -5.361 1.00 43.12 C ATOM 1060 CG2 VAL A 65 -9.428 -6.591 -6.378 1.00 13.53 C ATOM 0 H VAL A 65 -9.400 -8.137 -4.215 1.00 72.53 H new ATOM 0 HA VAL A 65 -7.641 -6.006 -4.402 1.00 24.51 H new ATOM 0 HB VAL A 65 -10.670 -6.087 -4.709 1.00 22.35 H new ATOM 0 HG11 VAL A 65 -10.436 -4.081 -6.124 1.00 43.12 H new ATOM 0 HG12 VAL A 65 -9.938 -3.775 -4.444 1.00 43.12 H new ATOM 0 HG13 VAL A 65 -8.707 -3.999 -5.709 1.00 43.12 H new ATOM 0 HG21 VAL A 65 -10.172 -6.315 -7.125 1.00 13.53 H new ATOM 0 HG22 VAL A 65 -8.432 -6.354 -6.753 1.00 13.53 H new ATOM 0 HG23 VAL A 65 -9.495 -7.660 -6.177 1.00 13.53 H new ATOM 1070 N ASP A 66 -9.898 -5.623 -1.992 1.00 20.24 N ATOM 1071 CA ASP A 66 -10.173 -4.930 -0.731 1.00 12.25 C ATOM 1072 C ASP A 66 -8.987 -5.052 0.243 1.00 33.31 C ATOM 1073 O ASP A 66 -8.627 -4.088 0.919 1.00 4.12 O ATOM 1074 CB ASP A 66 -11.448 -5.499 -0.093 1.00 44.35 C ATOM 1075 CG ASP A 66 -11.716 -4.940 1.298 1.00 74.12 C ATOM 1076 OD1 ASP A 66 -12.020 -3.733 1.416 1.00 61.23 O ATOM 1077 OD2 ASP A 66 -11.625 -5.709 2.283 1.00 31.35 O ATOM 0 H ASP A 66 -10.568 -6.357 -2.220 1.00 20.24 H new ATOM 0 HA ASP A 66 -10.319 -3.871 -0.946 1.00 12.25 H new ATOM 0 HB2 ASP A 66 -12.299 -5.280 -0.737 1.00 44.35 H new ATOM 0 HB3 ASP A 66 -11.365 -6.584 -0.033 1.00 44.35 H new ATOM 1082 N LYS A 67 -8.370 -6.236 0.297 1.00 33.33 N ATOM 1083 CA LYS A 67 -7.249 -6.481 1.216 1.00 23.43 C ATOM 1084 C LYS A 67 -5.980 -5.708 0.819 1.00 31.14 C ATOM 1085 O LYS A 67 -5.230 -5.258 1.686 1.00 44.13 O ATOM 1086 CB LYS A 67 -6.949 -7.977 1.330 1.00 61.41 C ATOM 1087 CG LYS A 67 -8.092 -8.756 1.965 1.00 31.12 C ATOM 1088 CD LYS A 67 -7.617 -10.062 2.584 1.00 70.22 C ATOM 1089 CE LYS A 67 -8.740 -10.763 3.332 1.00 31.10 C ATOM 1090 NZ LYS A 67 -9.300 -9.925 4.425 1.00 55.45 N ATOM 0 H LYS A 67 -8.624 -7.037 -0.280 1.00 33.33 H new ATOM 0 HA LYS A 67 -7.561 -6.109 2.192 1.00 23.43 H new ATOM 0 HB2 LYS A 67 -6.747 -8.380 0.338 1.00 61.41 H new ATOM 0 HB3 LYS A 67 -6.045 -8.118 1.922 1.00 61.41 H new ATOM 0 HG2 LYS A 67 -8.567 -8.143 2.731 1.00 31.12 H new ATOM 0 HG3 LYS A 67 -8.850 -8.967 1.211 1.00 31.12 H new ATOM 0 HD2 LYS A 67 -7.233 -10.718 1.803 1.00 70.22 H new ATOM 0 HD3 LYS A 67 -6.791 -9.863 3.267 1.00 70.22 H new ATOM 0 HE2 LYS A 67 -9.534 -11.021 2.632 1.00 31.10 H new ATOM 0 HE3 LYS A 67 -8.367 -11.698 3.749 1.00 31.10 H new ATOM 0 HZ1 LYS A 67 -9.829 -10.527 5.088 1.00 55.45 H new ATOM 0 HZ2 LYS A 67 -8.525 -9.451 4.931 1.00 55.45 H new ATOM 0 HZ3 LYS A 67 -9.938 -9.210 4.022 1.00 55.45 H new ATOM 1104 N VAL A 68 -5.738 -5.554 -0.482 1.00 22.11 N ATOM 1105 CA VAL A 68 -4.625 -4.721 -0.956 1.00 42.55 C ATOM 1106 C VAL A 68 -4.768 -3.288 -0.419 1.00 4.30 C ATOM 1107 O VAL A 68 -3.850 -2.747 0.203 1.00 30.42 O ATOM 1108 CB VAL A 68 -4.549 -4.688 -2.507 1.00 61.24 C ATOM 1109 CG1 VAL A 68 -3.426 -3.765 -2.986 1.00 24.31 C ATOM 1110 CG2 VAL A 68 -4.365 -6.099 -3.066 1.00 61.23 C ATOM 0 H VAL A 68 -6.289 -5.988 -1.222 1.00 22.11 H new ATOM 0 HA VAL A 68 -3.703 -5.165 -0.581 1.00 42.55 H new ATOM 0 HB VAL A 68 -5.492 -4.289 -2.882 1.00 61.24 H new ATOM 0 HG11 VAL A 68 -3.397 -3.762 -4.076 1.00 24.31 H new ATOM 0 HG12 VAL A 68 -3.608 -2.753 -2.625 1.00 24.31 H new ATOM 0 HG13 VAL A 68 -2.472 -4.122 -2.599 1.00 24.31 H new ATOM 0 HG21 VAL A 68 -4.314 -6.056 -4.154 1.00 61.23 H new ATOM 0 HG22 VAL A 68 -3.442 -6.527 -2.676 1.00 61.23 H new ATOM 0 HG23 VAL A 68 -5.208 -6.722 -2.767 1.00 61.23 H new ATOM 1120 N GLU A 69 -5.944 -2.701 -0.635 1.00 41.44 N ATOM 1121 CA GLU A 69 -6.264 -1.369 -0.108 1.00 45.52 C ATOM 1122 C GLU A 69 -6.339 -1.375 1.433 1.00 24.23 C ATOM 1123 O GLU A 69 -6.035 -0.374 2.084 1.00 14.33 O ATOM 1124 CB GLU A 69 -7.596 -0.881 -0.702 1.00 4.31 C ATOM 1125 CG GLU A 69 -7.543 -0.620 -2.206 1.00 52.42 C ATOM 1126 CD GLU A 69 -6.744 0.629 -2.556 1.00 22.50 C ATOM 1127 OE1 GLU A 69 -5.502 0.544 -2.679 1.00 61.53 O ATOM 1128 OE2 GLU A 69 -7.358 1.713 -2.672 1.00 51.44 O ATOM 0 H GLU A 69 -6.697 -3.128 -1.174 1.00 41.44 H new ATOM 0 HA GLU A 69 -5.465 -0.687 -0.399 1.00 45.52 H new ATOM 0 HB2 GLU A 69 -8.367 -1.624 -0.499 1.00 4.31 H new ATOM 0 HB3 GLU A 69 -7.895 0.036 -0.194 1.00 4.31 H new ATOM 0 HG2 GLU A 69 -7.100 -1.482 -2.705 1.00 52.42 H new ATOM 0 HG3 GLU A 69 -8.558 -0.517 -2.589 1.00 52.42 H new ATOM 1135 N LEU A 70 -6.740 -2.516 2.001 1.00 12.11 N ATOM 1136 CA LEU A 70 -6.852 -2.688 3.461 1.00 4.34 C ATOM 1137 C LEU A 70 -5.497 -2.513 4.161 1.00 54.14 C ATOM 1138 O LEU A 70 -5.319 -1.603 4.975 1.00 14.34 O ATOM 1139 CB LEU A 70 -7.436 -4.079 3.769 1.00 2.31 C ATOM 1140 CG LEU A 70 -7.434 -4.512 5.248 1.00 13.51 C ATOM 1141 CD1 LEU A 70 -8.299 -3.578 6.094 1.00 33.25 C ATOM 1142 CD2 LEU A 70 -7.906 -5.965 5.378 1.00 22.41 C ATOM 0 H LEU A 70 -6.996 -3.347 1.468 1.00 12.11 H new ATOM 0 HA LEU A 70 -7.518 -1.915 3.845 1.00 4.34 H new ATOM 0 HB2 LEU A 70 -8.464 -4.106 3.407 1.00 2.31 H new ATOM 0 HB3 LEU A 70 -6.877 -4.819 3.196 1.00 2.31 H new ATOM 0 HG LEU A 70 -6.413 -4.447 5.623 1.00 13.51 H new ATOM 0 HD11 LEU A 70 -8.280 -3.906 7.133 1.00 33.25 H new ATOM 0 HD12 LEU A 70 -7.910 -2.562 6.027 1.00 33.25 H new ATOM 0 HD13 LEU A 70 -9.325 -3.599 5.726 1.00 33.25 H new ATOM 0 HD21 LEU A 70 -7.899 -6.257 6.428 1.00 22.41 H new ATOM 0 HD22 LEU A 70 -8.918 -6.056 4.982 1.00 22.41 H new ATOM 0 HD23 LEU A 70 -7.237 -6.617 4.816 1.00 22.41 H new ATOM 1154 N PHE A 71 -4.541 -3.378 3.836 1.00 14.02 N ATOM 1155 CA PHE A 71 -3.215 -3.327 4.459 1.00 55.30 C ATOM 1156 C PHE A 71 -2.450 -2.058 4.052 1.00 74.21 C ATOM 1157 O PHE A 71 -1.679 -1.508 4.838 1.00 42.14 O ATOM 1158 CB PHE A 71 -2.409 -4.583 4.105 1.00 23.13 C ATOM 1159 CG PHE A 71 -3.018 -5.860 4.639 1.00 32.34 C ATOM 1160 CD1 PHE A 71 -2.928 -6.176 5.989 1.00 53.12 C ATOM 1161 CD2 PHE A 71 -3.676 -6.745 3.795 1.00 34.21 C ATOM 1162 CE1 PHE A 71 -3.483 -7.343 6.482 1.00 42.05 C ATOM 1163 CE2 PHE A 71 -4.233 -7.912 4.284 1.00 32.42 C ATOM 1164 CZ PHE A 71 -4.137 -8.211 5.628 1.00 51.51 C ATOM 0 H PHE A 71 -4.655 -4.122 3.147 1.00 14.02 H new ATOM 0 HA PHE A 71 -3.354 -3.294 5.540 1.00 55.30 H new ATOM 0 HB2 PHE A 71 -2.323 -4.656 3.021 1.00 23.13 H new ATOM 0 HB3 PHE A 71 -1.398 -4.479 4.499 1.00 23.13 H new ATOM 0 HD1 PHE A 71 -2.418 -5.502 6.662 1.00 53.12 H new ATOM 0 HD2 PHE A 71 -3.754 -6.518 2.742 1.00 34.21 H new ATOM 0 HE1 PHE A 71 -3.405 -7.576 7.534 1.00 42.05 H new ATOM 0 HE2 PHE A 71 -4.743 -8.589 3.615 1.00 32.42 H new ATOM 0 HZ PHE A 71 -4.572 -9.122 6.012 1.00 51.51 H new ATOM 1174 N LEU A 72 -2.674 -1.590 2.822 1.00 23.43 N ATOM 1175 CA LEU A 72 -2.065 -0.340 2.351 1.00 14.53 C ATOM 1176 C LEU A 72 -2.628 0.872 3.116 1.00 21.55 C ATOM 1177 O LEU A 72 -1.921 1.853 3.359 1.00 32.25 O ATOM 1178 CB LEU A 72 -2.297 -0.185 0.842 1.00 25.04 C ATOM 1179 CG LEU A 72 -1.584 1.002 0.171 1.00 1.34 C ATOM 1180 CD1 LEU A 72 -0.086 0.987 0.477 1.00 31.11 C ATOM 1181 CD2 LEU A 72 -1.823 0.975 -1.338 1.00 62.23 C ATOM 0 H LEU A 72 -3.269 -2.054 2.136 1.00 23.43 H new ATOM 0 HA LEU A 72 -0.993 -0.382 2.542 1.00 14.53 H new ATOM 0 HB2 LEU A 72 -1.976 -1.103 0.349 1.00 25.04 H new ATOM 0 HB3 LEU A 72 -3.368 -0.086 0.667 1.00 25.04 H new ATOM 0 HG LEU A 72 -2.000 1.924 0.577 1.00 1.34 H new ATOM 0 HD11 LEU A 72 0.393 1.837 -0.009 1.00 31.11 H new ATOM 0 HD12 LEU A 72 0.066 1.053 1.554 1.00 31.11 H new ATOM 0 HD13 LEU A 72 0.352 0.061 0.104 1.00 31.11 H new ATOM 0 HD21 LEU A 72 -1.314 1.820 -1.802 1.00 62.23 H new ATOM 0 HD22 LEU A 72 -1.434 0.045 -1.751 1.00 62.23 H new ATOM 0 HD23 LEU A 72 -2.892 1.041 -1.538 1.00 62.23 H new ATOM 1193 N LYS A 73 -3.901 0.787 3.505 1.00 33.11 N ATOM 1194 CA LYS A 73 -4.534 1.819 4.336 1.00 32.11 C ATOM 1195 C LYS A 73 -3.827 1.914 5.694 1.00 31.23 C ATOM 1196 O LYS A 73 -3.519 3.000 6.186 1.00 43.51 O ATOM 1197 CB LYS A 73 -6.016 1.478 4.558 1.00 41.11 C ATOM 1198 CG LYS A 73 -6.783 2.508 5.387 1.00 24.45 C ATOM 1199 CD LYS A 73 -8.108 1.949 5.903 1.00 54.24 C ATOM 1200 CE LYS A 73 -9.021 1.480 4.773 1.00 43.22 C ATOM 1201 NZ LYS A 73 -9.371 2.583 3.840 1.00 55.34 N ATOM 0 H LYS A 73 -4.518 0.013 3.258 1.00 33.11 H new ATOM 0 HA LYS A 73 -4.454 2.776 3.821 1.00 32.11 H new ATOM 0 HB2 LYS A 73 -6.502 1.376 3.588 1.00 41.11 H new ATOM 0 HB3 LYS A 73 -6.083 0.509 5.052 1.00 41.11 H new ATOM 0 HG2 LYS A 73 -6.170 2.825 6.230 1.00 24.45 H new ATOM 0 HG3 LYS A 73 -6.974 3.393 4.780 1.00 24.45 H new ATOM 0 HD2 LYS A 73 -7.910 1.115 6.576 1.00 54.24 H new ATOM 0 HD3 LYS A 73 -8.620 2.715 6.486 1.00 54.24 H new ATOM 0 HE2 LYS A 73 -8.529 0.680 4.219 1.00 43.22 H new ATOM 0 HE3 LYS A 73 -9.934 1.061 5.196 1.00 43.22 H new ATOM 0 HZ1 LYS A 73 -10.071 2.245 3.149 1.00 55.34 H new ATOM 0 HZ2 LYS A 73 -9.771 3.378 4.377 1.00 55.34 H new ATOM 0 HZ3 LYS A 73 -8.516 2.899 3.340 1.00 55.34 H new ATOM 1215 N GLU A 74 -3.585 0.751 6.287 1.00 34.22 N ATOM 1216 CA GLU A 74 -2.898 0.642 7.575 1.00 41.53 C ATOM 1217 C GLU A 74 -1.436 1.113 7.475 1.00 24.31 C ATOM 1218 O GLU A 74 -0.918 1.770 8.383 1.00 73.24 O ATOM 1219 CB GLU A 74 -2.973 -0.817 8.042 1.00 23.41 C ATOM 1220 CG GLU A 74 -4.407 -1.326 8.214 1.00 21.24 C ATOM 1221 CD GLU A 74 -5.009 -0.986 9.573 1.00 33.03 C ATOM 1222 OE1 GLU A 74 -5.139 0.217 9.896 1.00 75.42 O ATOM 1223 OE2 GLU A 74 -5.361 -1.921 10.325 1.00 53.55 O ATOM 0 H GLU A 74 -3.859 -0.148 5.890 1.00 34.22 H new ATOM 0 HA GLU A 74 -3.388 1.290 8.302 1.00 41.53 H new ATOM 0 HB2 GLU A 74 -2.455 -1.449 7.321 1.00 23.41 H new ATOM 0 HB3 GLU A 74 -2.444 -0.915 8.990 1.00 23.41 H new ATOM 0 HG2 GLU A 74 -5.033 -0.899 7.430 1.00 21.24 H new ATOM 0 HG3 GLU A 74 -4.420 -2.408 8.079 1.00 21.24 H new ATOM 1230 N TYR A 75 -0.781 0.782 6.362 1.00 72.15 N ATOM 1231 CA TYR A 75 0.590 1.236 6.100 1.00 20.44 C ATOM 1232 C TYR A 75 0.658 2.771 6.021 1.00 41.53 C ATOM 1233 O TYR A 75 1.423 3.408 6.750 1.00 74.14 O ATOM 1234 CB TYR A 75 1.117 0.616 4.797 1.00 11.33 C ATOM 1235 CG TYR A 75 2.539 1.032 4.456 1.00 12.25 C ATOM 1236 CD1 TYR A 75 3.631 0.428 5.075 1.00 73.23 C ATOM 1237 CD2 TYR A 75 2.790 2.037 3.526 1.00 10.15 C ATOM 1238 CE1 TYR A 75 4.924 0.811 4.774 1.00 5.11 C ATOM 1239 CE2 TYR A 75 4.081 2.425 3.225 1.00 54.41 C ATOM 1240 CZ TYR A 75 5.143 1.810 3.851 1.00 3.34 C ATOM 1241 OH TYR A 75 6.429 2.200 3.558 1.00 43.32 O ATOM 0 H TYR A 75 -1.177 0.200 5.624 1.00 72.15 H new ATOM 0 HA TYR A 75 1.218 0.909 6.928 1.00 20.44 H new ATOM 0 HB2 TYR A 75 1.075 -0.470 4.878 1.00 11.33 H new ATOM 0 HB3 TYR A 75 0.458 0.900 3.977 1.00 11.33 H new ATOM 0 HD1 TYR A 75 3.464 -0.353 5.802 1.00 73.23 H new ATOM 0 HD2 TYR A 75 1.961 2.522 3.031 1.00 10.15 H new ATOM 0 HE1 TYR A 75 5.759 0.329 5.260 1.00 5.11 H new ATOM 0 HE2 TYR A 75 4.257 3.207 2.502 1.00 54.41 H new ATOM 0 HH TYR A 75 7.044 1.458 3.734 1.00 43.32 H new ATOM 1251 N LEU A 76 -0.152 3.360 5.137 1.00 30.14 N ATOM 1252 CA LEU A 76 -0.217 4.821 4.999 1.00 2.13 C ATOM 1253 C LEU A 76 -0.598 5.493 6.328 1.00 1.31 C ATOM 1254 O LEU A 76 -0.049 6.534 6.687 1.00 11.14 O ATOM 1255 CB LEU A 76 -1.213 5.212 3.899 1.00 71.21 C ATOM 1256 CG LEU A 76 -0.808 4.795 2.474 1.00 51.32 C ATOM 1257 CD1 LEU A 76 -1.885 5.188 1.468 1.00 65.20 C ATOM 1258 CD2 LEU A 76 0.539 5.410 2.090 1.00 13.21 C ATOM 0 H LEU A 76 -0.771 2.851 4.507 1.00 30.14 H new ATOM 0 HA LEU A 76 0.775 5.173 4.718 1.00 2.13 H new ATOM 0 HB2 LEU A 76 -2.180 4.766 4.131 1.00 71.21 H new ATOM 0 HB3 LEU A 76 -1.348 6.293 3.920 1.00 71.21 H new ATOM 0 HG LEU A 76 -0.705 3.710 2.456 1.00 51.32 H new ATOM 0 HD11 LEU A 76 -1.577 4.883 0.468 1.00 65.20 H new ATOM 0 HD12 LEU A 76 -2.822 4.693 1.726 1.00 65.20 H new ATOM 0 HD13 LEU A 76 -2.027 6.268 1.491 1.00 65.20 H new ATOM 0 HD21 LEU A 76 0.805 5.101 1.079 1.00 13.21 H new ATOM 0 HD22 LEU A 76 0.468 6.497 2.131 1.00 13.21 H new ATOM 0 HD23 LEU A 76 1.306 5.070 2.786 1.00 13.21 H new ATOM 1270 N HIS A 77 -1.525 4.874 7.059 1.00 72.14 N ATOM 1271 CA HIS A 77 -1.944 5.367 8.377 1.00 3.24 C ATOM 1272 C HIS A 77 -0.747 5.509 9.342 1.00 44.21 C ATOM 1273 O HIS A 77 -0.742 6.378 10.214 1.00 4.11 O ATOM 1274 CB HIS A 77 -2.995 4.414 8.969 1.00 22.44 C ATOM 1275 CG HIS A 77 -3.450 4.772 10.351 1.00 52.44 C ATOM 1276 ND1 HIS A 77 -3.137 4.019 11.463 1.00 32.52 N ATOM 1277 CD2 HIS A 77 -4.215 5.797 10.798 1.00 74.34 C ATOM 1278 CE1 HIS A 77 -3.692 4.560 12.528 1.00 73.41 C ATOM 1279 NE2 HIS A 77 -4.346 5.636 12.154 1.00 72.33 N ATOM 0 H HIS A 77 -2.004 4.025 6.761 1.00 72.14 H new ATOM 0 HA HIS A 77 -2.377 6.359 8.248 1.00 3.24 H new ATOM 0 HB2 HIS A 77 -3.862 4.394 8.309 1.00 22.44 H new ATOM 0 HB3 HIS A 77 -2.584 3.405 8.986 1.00 22.44 H new ATOM 0 HD2 HIS A 77 -4.641 6.590 10.201 1.00 74.34 H new ATOM 0 HE1 HIS A 77 -3.621 4.183 13.538 1.00 73.41 H new ATOM 0 HE2 HIS A 77 -4.869 6.254 12.774 1.00 72.33 H new ATOM 1288 N PHE A 78 0.263 4.656 9.170 1.00 3.22 N ATOM 1289 CA PHE A 78 1.449 4.668 10.036 1.00 75.23 C ATOM 1290 C PHE A 78 2.511 5.657 9.519 1.00 52.31 C ATOM 1291 O PHE A 78 2.951 6.550 10.248 1.00 74.03 O ATOM 1292 CB PHE A 78 2.039 3.254 10.115 1.00 13.05 C ATOM 1293 CG PHE A 78 3.092 3.072 11.187 1.00 51.52 C ATOM 1294 CD1 PHE A 78 2.728 2.697 12.475 1.00 5.43 C ATOM 1295 CD2 PHE A 78 4.439 3.260 10.908 1.00 35.41 C ATOM 1296 CE1 PHE A 78 3.683 2.517 13.458 1.00 52.50 C ATOM 1297 CE2 PHE A 78 5.398 3.079 11.888 1.00 70.42 C ATOM 1298 CZ PHE A 78 5.019 2.708 13.165 1.00 45.31 C ATOM 0 H PHE A 78 0.286 3.946 8.438 1.00 3.22 H new ATOM 0 HA PHE A 78 1.146 4.996 11.030 1.00 75.23 H new ATOM 0 HB2 PHE A 78 1.230 2.546 10.294 1.00 13.05 H new ATOM 0 HB3 PHE A 78 2.475 3.001 9.149 1.00 13.05 H new ATOM 0 HD1 PHE A 78 1.685 2.544 12.711 1.00 5.43 H new ATOM 0 HD2 PHE A 78 4.742 3.551 9.913 1.00 35.41 H new ATOM 0 HE1 PHE A 78 3.385 2.227 14.455 1.00 52.50 H new ATOM 0 HE2 PHE A 78 6.442 3.227 11.656 1.00 70.42 H new ATOM 0 HZ PHE A 78 5.766 2.568 13.932 1.00 45.31 H new ATOM 1308 N VAL A 79 2.917 5.494 8.254 1.00 20.12 N ATOM 1309 CA VAL A 79 3.972 6.332 7.663 1.00 43.15 C ATOM 1310 C VAL A 79 3.616 7.827 7.685 1.00 54.24 C ATOM 1311 O VAL A 79 4.479 8.667 7.926 1.00 51.31 O ATOM 1312 CB VAL A 79 4.316 5.906 6.211 1.00 42.53 C ATOM 1313 CG1 VAL A 79 4.889 4.491 6.181 1.00 22.32 C ATOM 1314 CG2 VAL A 79 3.092 6.013 5.306 1.00 62.30 C ATOM 0 H VAL A 79 2.534 4.793 7.620 1.00 20.12 H new ATOM 0 HA VAL A 79 4.850 6.177 8.290 1.00 43.15 H new ATOM 0 HB VAL A 79 5.077 6.589 5.832 1.00 42.53 H new ATOM 0 HG11 VAL A 79 5.122 4.215 5.153 1.00 22.32 H new ATOM 0 HG12 VAL A 79 5.798 4.454 6.782 1.00 22.32 H new ATOM 0 HG13 VAL A 79 4.157 3.793 6.587 1.00 22.32 H new ATOM 0 HG21 VAL A 79 3.360 5.709 4.294 1.00 62.30 H new ATOM 0 HG22 VAL A 79 2.303 5.363 5.683 1.00 62.30 H new ATOM 0 HG23 VAL A 79 2.738 7.044 5.293 1.00 62.30 H new ATOM 1324 N LYS A 80 2.345 8.160 7.448 1.00 51.43 N ATOM 1325 CA LYS A 80 1.895 9.559 7.515 1.00 2.22 C ATOM 1326 C LYS A 80 2.134 10.146 8.913 1.00 52.11 C ATOM 1327 O LYS A 80 2.533 11.301 9.056 1.00 63.45 O ATOM 1328 CB LYS A 80 0.412 9.674 7.134 1.00 44.32 C ATOM 1329 CG LYS A 80 0.146 9.467 5.646 1.00 25.54 C ATOM 1330 CD LYS A 80 -1.347 9.502 5.326 1.00 32.15 C ATOM 1331 CE LYS A 80 -1.605 9.498 3.823 1.00 2.40 C ATOM 1332 NZ LYS A 80 -1.144 10.758 3.177 1.00 72.04 N ATOM 0 H LYS A 80 1.613 7.490 7.210 1.00 51.43 H new ATOM 0 HA LYS A 80 2.481 10.133 6.797 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -0.159 8.939 7.702 1.00 44.32 H new ATOM 0 HB3 LYS A 80 0.045 10.658 7.427 1.00 44.32 H new ATOM 0 HG2 LYS A 80 0.658 10.241 5.074 1.00 25.54 H new ATOM 0 HG3 LYS A 80 0.563 8.510 5.332 1.00 25.54 H new ATOM 0 HD2 LYS A 80 -1.836 8.641 5.781 1.00 32.15 H new ATOM 0 HD3 LYS A 80 -1.793 10.393 5.769 1.00 32.15 H new ATOM 0 HE2 LYS A 80 -1.094 8.649 3.369 1.00 2.40 H new ATOM 0 HE3 LYS A 80 -2.671 9.364 3.638 1.00 2.40 H new ATOM 0 HZ1 LYS A 80 -1.769 10.988 2.378 1.00 72.04 H new ATOM 0 HZ2 LYS A 80 -1.169 11.533 3.870 1.00 72.04 H new ATOM 0 HZ3 LYS A 80 -0.171 10.635 2.831 1.00 72.04 H new ATOM 1346 N GLY A 81 1.898 9.335 9.943 1.00 32.32 N ATOM 1347 CA GLY A 81 2.198 9.751 11.306 1.00 60.31 C ATOM 1348 C GLY A 81 3.690 9.986 11.519 1.00 30.32 C ATOM 1349 O GLY A 81 4.094 10.954 12.163 1.00 20.11 O ATOM 0 H GLY A 81 1.505 8.398 9.859 1.00 32.32 H new ATOM 0 HA2 GLY A 81 1.651 10.666 11.534 1.00 60.31 H new ATOM 0 HA3 GLY A 81 1.848 8.989 12.002 1.00 60.31 H new ATOM 1353 N ALA A 82 4.511 9.091 10.972 1.00 45.43 N ATOM 1354 CA ALA A 82 5.971 9.233 11.028 1.00 41.45 C ATOM 1355 C ALA A 82 6.444 10.517 10.323 1.00 73.14 C ATOM 1356 O ALA A 82 7.207 11.303 10.890 1.00 23.53 O ATOM 1357 CB ALA A 82 6.643 8.010 10.415 1.00 23.05 C ATOM 0 H ALA A 82 4.191 8.255 10.482 1.00 45.43 H new ATOM 0 HA ALA A 82 6.259 9.309 12.077 1.00 41.45 H new ATOM 0 HB1 ALA A 82 7.726 8.128 10.463 1.00 23.05 H new ATOM 0 HB2 ALA A 82 6.350 7.118 10.969 1.00 23.05 H new ATOM 0 HB3 ALA A 82 6.334 7.909 9.375 1.00 23.05 H new ATOM 1363 N VAL A 83 5.982 10.727 9.088 1.00 64.43 N ATOM 1364 CA VAL A 83 6.297 11.946 8.332 1.00 10.14 C ATOM 1365 C VAL A 83 5.832 13.198 9.095 1.00 54.13 C ATOM 1366 O VAL A 83 6.496 14.237 9.083 1.00 32.35 O ATOM 1367 CB VAL A 83 5.654 11.918 6.915 1.00 51.14 C ATOM 1368 CG1 VAL A 83 5.980 13.192 6.130 1.00 72.51 C ATOM 1369 CG2 VAL A 83 6.114 10.676 6.145 1.00 60.32 C ATOM 0 H VAL A 83 5.386 10.067 8.587 1.00 64.43 H new ATOM 0 HA VAL A 83 7.380 11.986 8.215 1.00 10.14 H new ATOM 0 HB VAL A 83 4.572 11.872 7.037 1.00 51.14 H new ATOM 0 HG11 VAL A 83 5.516 13.141 5.145 1.00 72.51 H new ATOM 0 HG12 VAL A 83 5.596 14.059 6.668 1.00 72.51 H new ATOM 0 HG13 VAL A 83 7.060 13.284 6.018 1.00 72.51 H new ATOM 0 HG21 VAL A 83 5.656 10.671 5.156 1.00 60.32 H new ATOM 0 HG22 VAL A 83 7.199 10.693 6.042 1.00 60.32 H new ATOM 0 HG23 VAL A 83 5.815 9.780 6.688 1.00 60.32 H new ATOM 1379 N ALA A 84 4.693 13.086 9.777 1.00 30.30 N ATOM 1380 CA ALA A 84 4.197 14.165 10.635 1.00 61.51 C ATOM 1381 C ALA A 84 5.170 14.456 11.794 1.00 25.41 C ATOM 1382 O ALA A 84 5.273 15.595 12.251 1.00 1.01 O ATOM 1383 CB ALA A 84 2.807 13.830 11.163 1.00 51.35 C ATOM 0 H ALA A 84 4.095 12.260 9.753 1.00 30.30 H new ATOM 0 HA ALA A 84 4.129 15.069 10.031 1.00 61.51 H new ATOM 0 HB1 ALA A 84 2.454 14.642 11.798 1.00 51.35 H new ATOM 0 HB2 ALA A 84 2.121 13.700 10.326 1.00 51.35 H new ATOM 0 HB3 ALA A 84 2.851 12.908 11.743 1.00 51.35 H new ATOM 1389 N ASN A 85 5.881 13.427 12.273 1.00 2.25 N ATOM 1390 CA ASN A 85 6.939 13.621 13.282 1.00 32.23 C ATOM 1391 C ASN A 85 8.177 14.287 12.664 1.00 23.10 C ATOM 1392 O ASN A 85 8.799 15.154 13.277 1.00 42.11 O ATOM 1393 CB ASN A 85 7.347 12.289 13.933 1.00 34.30 C ATOM 1394 CG ASN A 85 6.314 11.772 14.915 1.00 10.23 C ATOM 1395 OD1 ASN A 85 6.300 12.160 16.075 1.00 13.31 O ATOM 1396 ND2 ASN A 85 5.450 10.885 14.471 1.00 42.32 N ATOM 0 H ASN A 85 5.747 12.458 11.983 1.00 2.25 H new ATOM 0 HA ASN A 85 6.528 14.275 14.051 1.00 32.23 H new ATOM 0 HB2 ASN A 85 7.506 11.543 13.154 1.00 34.30 H new ATOM 0 HB3 ASN A 85 8.298 12.419 14.449 1.00 34.30 H new ATOM 0 HD21 ASN A 85 4.744 10.502 15.099 1.00 42.32 H new ATOM 0 HD22 ASN A 85 5.486 10.580 13.498 1.00 42.32 H new ATOM 1403 N ALA A 86 8.517 13.886 11.438 1.00 61.13 N ATOM 1404 CA ALA A 86 9.657 14.464 10.715 1.00 51.44 C ATOM 1405 C ALA A 86 9.515 15.986 10.531 1.00 21.33 C ATOM 1406 O ALA A 86 10.500 16.691 10.321 1.00 33.45 O ATOM 1407 CB ALA A 86 9.820 13.776 9.366 1.00 23.41 C ATOM 0 H ALA A 86 8.019 13.161 10.921 1.00 61.13 H new ATOM 0 HA ALA A 86 10.550 14.296 11.317 1.00 51.44 H new ATOM 0 HB1 ALA A 86 10.668 14.210 8.836 1.00 23.41 H new ATOM 0 HB2 ALA A 86 9.995 12.711 9.519 1.00 23.41 H new ATOM 0 HB3 ALA A 86 8.914 13.913 8.776 1.00 23.41 H new ATOM 1413 N ALA A 87 8.282 16.485 10.605 1.00 43.51 N ATOM 1414 CA ALA A 87 8.024 17.930 10.524 1.00 53.45 C ATOM 1415 C ALA A 87 8.571 18.680 11.753 1.00 32.31 C ATOM 1416 O ALA A 87 8.731 19.900 11.727 1.00 52.15 O ATOM 1417 CB ALA A 87 6.527 18.185 10.372 1.00 10.40 C ATOM 0 H ALA A 87 7.444 15.915 10.721 1.00 43.51 H new ATOM 0 HA ALA A 87 8.548 18.312 9.648 1.00 53.45 H new ATOM 0 HB1 ALA A 87 6.345 19.258 10.313 1.00 10.40 H new ATOM 0 HB2 ALA A 87 6.167 17.705 9.462 1.00 10.40 H new ATOM 0 HB3 ALA A 87 5.999 17.774 11.232 1.00 10.40 H new ATOM 1423 N CYS A 88 8.853 17.943 12.828 1.00 14.22 N ATOM 1424 CA CYS A 88 9.365 18.537 14.073 1.00 42.20 C ATOM 1425 C CYS A 88 10.905 18.543 14.118 1.00 62.41 C ATOM 1426 O CYS A 88 11.506 19.015 15.088 1.00 52.41 O ATOM 1427 CB CYS A 88 8.813 17.773 15.286 1.00 63.43 C ATOM 1428 SG CYS A 88 9.344 18.425 16.891 1.00 54.11 S ATOM 0 H CYS A 88 8.737 16.930 12.866 1.00 14.22 H new ATOM 0 HA CYS A 88 9.028 19.573 14.105 1.00 42.20 H new ATOM 0 HB2 CYS A 88 7.724 17.789 15.244 1.00 63.43 H new ATOM 0 HB3 CYS A 88 9.120 16.730 15.213 1.00 63.43 H new ATOM 0 HG CYS A 88 10.585 18.806 16.816 1.00 54.11 H new ATOM 1434 N LEU A 89 11.536 18.023 13.066 1.00 62.32 N ATOM 1435 CA LEU A 89 13.003 17.962 12.987 1.00 70.32 C ATOM 1436 C LEU A 89 13.627 19.357 12.778 1.00 13.45 C ATOM 1437 O LEU A 89 12.978 20.271 12.260 1.00 34.13 O ATOM 1438 CB LEU A 89 13.429 17.023 11.846 1.00 60.03 C ATOM 1439 CG LEU A 89 13.017 15.550 12.014 1.00 21.02 C ATOM 1440 CD1 LEU A 89 13.459 14.725 10.809 1.00 50.34 C ATOM 1441 CD2 LEU A 89 13.585 14.967 13.308 1.00 5.24 C ATOM 0 H LEU A 89 11.057 17.636 12.253 1.00 62.32 H new ATOM 0 HA LEU A 89 13.368 17.575 13.938 1.00 70.32 H new ATOM 0 HB2 LEU A 89 13.006 17.397 10.914 1.00 60.03 H new ATOM 0 HB3 LEU A 89 14.513 17.070 11.745 1.00 60.03 H new ATOM 0 HG LEU A 89 11.930 15.509 12.075 1.00 21.02 H new ATOM 0 HD11 LEU A 89 13.158 13.687 10.949 1.00 50.34 H new ATOM 0 HD12 LEU A 89 12.992 15.120 9.907 1.00 50.34 H new ATOM 0 HD13 LEU A 89 14.543 14.778 10.710 1.00 50.34 H new ATOM 0 HD21 LEU A 89 13.279 13.925 13.403 1.00 5.24 H new ATOM 0 HD22 LEU A 89 14.673 15.025 13.286 1.00 5.24 H new ATOM 0 HD23 LEU A 89 13.208 15.534 14.159 1.00 5.24 H new ATOM 1453 N PRO A 90 14.906 19.540 13.185 1.00 54.35 N ATOM 1454 CA PRO A 90 15.617 20.826 13.024 1.00 72.21 C ATOM 1455 C PRO A 90 15.670 21.299 11.558 1.00 54.10 C ATOM 1456 O PRO A 90 15.470 22.482 11.265 1.00 72.04 O ATOM 1457 CB PRO A 90 17.032 20.528 13.557 1.00 42.23 C ATOM 1458 CG PRO A 90 17.144 19.037 13.579 1.00 62.35 C ATOM 1459 CD PRO A 90 15.755 18.526 13.838 1.00 50.25 C ATOM 0 HA PRO A 90 15.113 21.634 13.554 1.00 72.21 H new ATOM 0 HB2 PRO A 90 17.794 20.970 12.915 1.00 42.23 H new ATOM 0 HB3 PRO A 90 17.173 20.947 14.553 1.00 42.23 H new ATOM 0 HG2 PRO A 90 17.529 18.660 12.632 1.00 62.35 H new ATOM 0 HG3 PRO A 90 17.833 18.708 14.357 1.00 62.35 H new ATOM 0 HD2 PRO A 90 15.603 17.535 13.411 1.00 50.25 H new ATOM 0 HD3 PRO A 90 15.545 18.449 14.905 1.00 50.25 H new ATOM 1467 N GLU A 91 15.941 20.372 10.638 1.00 53.42 N ATOM 1468 CA GLU A 91 15.951 20.690 9.204 1.00 43.11 C ATOM 1469 C GLU A 91 14.840 19.929 8.460 1.00 62.30 C ATOM 1470 O GLU A 91 14.624 18.734 8.677 1.00 31.30 O ATOM 1471 CB GLU A 91 17.329 20.392 8.585 1.00 61.45 C ATOM 1472 CG GLU A 91 17.799 18.947 8.740 1.00 75.42 C ATOM 1473 CD GLU A 91 19.200 18.724 8.183 1.00 1.24 C ATOM 1474 OE1 GLU A 91 20.175 19.223 8.790 1.00 21.11 O ATOM 1475 OE2 GLU A 91 19.339 18.044 7.145 1.00 25.35 O ATOM 0 H GLU A 91 16.156 19.399 10.856 1.00 53.42 H new ATOM 0 HA GLU A 91 15.755 21.757 9.097 1.00 43.11 H new ATOM 0 HB2 GLU A 91 17.296 20.637 7.523 1.00 61.45 H new ATOM 0 HB3 GLU A 91 18.068 21.051 9.042 1.00 61.45 H new ATOM 0 HG2 GLU A 91 17.784 18.675 9.795 1.00 75.42 H new ATOM 0 HG3 GLU A 91 17.099 18.285 8.230 1.00 75.42 H new ATOM 1482 N LEU A 92 14.142 20.639 7.574 1.00 64.12 N ATOM 1483 CA LEU A 92 12.991 20.090 6.840 1.00 43.44 C ATOM 1484 C LEU A 92 13.444 19.103 5.741 1.00 54.23 C ATOM 1485 O LEU A 92 12.632 18.375 5.167 1.00 74.32 O ATOM 1486 CB LEU A 92 12.189 21.269 6.239 1.00 21.34 C ATOM 1487 CG LEU A 92 10.665 21.073 6.070 1.00 44.11 C ATOM 1488 CD1 LEU A 92 10.336 20.113 4.930 1.00 53.41 C ATOM 1489 CD2 LEU A 92 10.034 20.591 7.376 1.00 13.14 C ATOM 0 H LEU A 92 14.354 21.609 7.342 1.00 64.12 H new ATOM 0 HA LEU A 92 12.357 19.525 7.524 1.00 43.44 H new ATOM 0 HB2 LEU A 92 12.349 22.143 6.870 1.00 21.34 H new ATOM 0 HB3 LEU A 92 12.610 21.500 5.261 1.00 21.34 H new ATOM 0 HG LEU A 92 10.241 22.043 5.813 1.00 44.11 H new ATOM 0 HD11 LEU A 92 9.255 20.004 4.847 1.00 53.41 H new ATOM 0 HD12 LEU A 92 10.734 20.508 3.995 1.00 53.41 H new ATOM 0 HD13 LEU A 92 10.784 19.140 5.133 1.00 53.41 H new ATOM 0 HD21 LEU A 92 8.961 20.459 7.235 1.00 13.14 H new ATOM 0 HD22 LEU A 92 10.481 19.640 7.667 1.00 13.14 H new ATOM 0 HD23 LEU A 92 10.209 21.329 8.159 1.00 13.14 H new ATOM 1501 N ILE A 93 14.752 19.059 5.492 1.00 14.43 N ATOM 1502 CA ILE A 93 15.329 18.250 4.409 1.00 22.44 C ATOM 1503 C ILE A 93 14.823 16.794 4.428 1.00 65.31 C ATOM 1504 O ILE A 93 14.242 16.314 3.448 1.00 62.13 O ATOM 1505 CB ILE A 93 16.876 18.252 4.491 1.00 24.02 C ATOM 1506 CG1 ILE A 93 17.410 19.694 4.561 1.00 65.02 C ATOM 1507 CG2 ILE A 93 17.485 17.509 3.305 1.00 2.15 C ATOM 1508 CD1 ILE A 93 16.988 20.569 3.397 1.00 62.11 C ATOM 0 H ILE A 93 15.443 19.580 6.031 1.00 14.43 H new ATOM 0 HA ILE A 93 15.005 18.708 3.474 1.00 22.44 H new ATOM 0 HB ILE A 93 17.169 17.731 5.402 1.00 24.02 H new ATOM 0 HG12 ILE A 93 17.067 20.152 5.489 1.00 65.02 H new ATOM 0 HG13 ILE A 93 18.499 19.665 4.603 1.00 65.02 H new ATOM 0 HG21 ILE A 93 18.572 17.524 3.385 1.00 2.15 H new ATOM 0 HG22 ILE A 93 17.136 16.476 3.304 1.00 2.15 H new ATOM 0 HG23 ILE A 93 17.183 17.995 2.377 1.00 2.15 H new ATOM 0 HD11 ILE A 93 17.406 21.568 3.523 1.00 62.11 H new ATOM 0 HD12 ILE A 93 17.354 20.137 2.466 1.00 62.11 H new ATOM 0 HD13 ILE A 93 15.900 20.632 3.365 1.00 62.11 H new ATOM 1520 N LEU A 94 15.032 16.099 5.547 1.00 11.21 N ATOM 1521 CA LEU A 94 14.575 14.710 5.689 1.00 32.25 C ATOM 1522 C LEU A 94 13.048 14.597 5.539 1.00 64.12 C ATOM 1523 O LEU A 94 12.538 13.651 4.927 1.00 42.12 O ATOM 1524 CB LEU A 94 15.023 14.139 7.043 1.00 70.34 C ATOM 1525 CG LEU A 94 14.570 12.696 7.336 1.00 52.35 C ATOM 1526 CD1 LEU A 94 15.001 11.751 6.215 1.00 62.24 C ATOM 1527 CD2 LEU A 94 15.121 12.224 8.681 1.00 3.42 C ATOM 0 H LEU A 94 15.512 16.470 6.367 1.00 11.21 H new ATOM 0 HA LEU A 94 15.029 14.127 4.888 1.00 32.25 H new ATOM 0 HB2 LEU A 94 16.111 14.177 7.091 1.00 70.34 H new ATOM 0 HB3 LEU A 94 14.646 14.787 7.834 1.00 70.34 H new ATOM 0 HG LEU A 94 13.481 12.685 7.387 1.00 52.35 H new ATOM 0 HD11 LEU A 94 14.670 10.738 6.445 1.00 62.24 H new ATOM 0 HD12 LEU A 94 14.554 12.074 5.275 1.00 62.24 H new ATOM 0 HD13 LEU A 94 16.087 11.765 6.124 1.00 62.24 H new ATOM 0 HD21 LEU A 94 14.791 11.203 8.871 1.00 3.42 H new ATOM 0 HD22 LEU A 94 16.210 12.255 8.659 1.00 3.42 H new ATOM 0 HD23 LEU A 94 14.755 12.877 9.473 1.00 3.42 H new ATOM 1539 N HIS A 95 12.321 15.572 6.084 1.00 41.14 N ATOM 1540 CA HIS A 95 10.859 15.588 5.988 1.00 70.53 C ATOM 1541 C HIS A 95 10.399 15.635 4.521 1.00 40.43 C ATOM 1542 O HIS A 95 9.378 15.048 4.161 1.00 54.44 O ATOM 1543 CB HIS A 95 10.284 16.784 6.762 1.00 22.11 C ATOM 1544 CG HIS A 95 8.785 16.853 6.748 1.00 33.43 C ATOM 1545 ND1 HIS A 95 8.074 17.940 6.280 1.00 10.54 N ATOM 1546 CD2 HIS A 95 7.858 15.964 7.173 1.00 45.33 C ATOM 1547 CE1 HIS A 95 6.784 17.714 6.419 1.00 11.14 C ATOM 1548 NE2 HIS A 95 6.626 16.526 6.956 1.00 12.30 N ATOM 0 H HIS A 95 12.718 16.360 6.596 1.00 41.14 H new ATOM 0 HA HIS A 95 10.484 14.666 6.432 1.00 70.53 H new ATOM 0 HB2 HIS A 95 10.626 16.734 7.796 1.00 22.11 H new ATOM 0 HB3 HIS A 95 10.684 17.705 6.338 1.00 22.11 H new ATOM 0 HD2 HIS A 95 8.052 14.993 7.603 1.00 45.33 H new ATOM 0 HE1 HIS A 95 5.991 18.391 6.139 1.00 11.14 H new ATOM 0 HE2 HIS A 95 5.730 16.091 7.176 1.00 12.30 H new ATOM 1557 N ASN A 96 11.158 16.338 3.683 1.00 74.14 N ATOM 1558 CA ASN A 96 10.853 16.416 2.253 1.00 62.51 C ATOM 1559 C ASN A 96 11.194 15.094 1.539 1.00 64.34 C ATOM 1560 O ASN A 96 10.409 14.593 0.733 1.00 14.15 O ATOM 1561 CB ASN A 96 11.617 17.582 1.613 1.00 64.23 C ATOM 1562 CG ASN A 96 11.270 17.772 0.147 1.00 30.23 C ATOM 1563 OD1 ASN A 96 10.171 17.451 -0.292 1.00 1.33 O ATOM 1564 ND2 ASN A 96 12.200 18.293 -0.627 1.00 41.13 N ATOM 0 H ASN A 96 11.987 16.861 3.967 1.00 74.14 H new ATOM 0 HA ASN A 96 9.783 16.590 2.142 1.00 62.51 H new ATOM 0 HB2 ASN A 96 11.394 18.500 2.157 1.00 64.23 H new ATOM 0 HB3 ASN A 96 12.688 17.406 1.709 1.00 64.23 H new ATOM 0 HD21 ASN A 96 12.015 18.439 -1.619 1.00 41.13 H new ATOM 0 HD22 ASN A 96 13.105 18.551 -0.234 1.00 41.13 H new ATOM 1571 N LYS A 97 12.357 14.526 1.860 1.00 0.01 N ATOM 1572 CA LYS A 97 12.821 13.278 1.229 1.00 20.52 C ATOM 1573 C LYS A 97 11.820 12.122 1.399 1.00 1.04 C ATOM 1574 O LYS A 97 11.584 11.356 0.468 1.00 1.22 O ATOM 1575 CB LYS A 97 14.180 12.864 1.803 1.00 43.44 C ATOM 1576 CG LYS A 97 15.312 13.824 1.465 1.00 62.20 C ATOM 1577 CD LYS A 97 16.629 13.386 2.097 1.00 1.11 C ATOM 1578 CE LYS A 97 17.780 14.289 1.676 1.00 62.11 C ATOM 1579 NZ LYS A 97 18.037 14.227 0.213 1.00 73.43 N ATOM 0 H LYS A 97 13.000 14.907 2.554 1.00 0.01 H new ATOM 0 HA LYS A 97 12.913 13.482 0.162 1.00 20.52 H new ATOM 0 HB2 LYS A 97 14.096 12.784 2.887 1.00 43.44 H new ATOM 0 HB3 LYS A 97 14.434 11.872 1.429 1.00 43.44 H new ATOM 0 HG2 LYS A 97 15.429 13.882 0.383 1.00 62.20 H new ATOM 0 HG3 LYS A 97 15.057 14.825 1.812 1.00 62.20 H new ATOM 0 HD2 LYS A 97 16.534 13.399 3.183 1.00 1.11 H new ATOM 0 HD3 LYS A 97 16.848 12.358 1.808 1.00 1.11 H new ATOM 0 HE2 LYS A 97 17.556 15.317 1.960 1.00 62.11 H new ATOM 0 HE3 LYS A 97 18.682 13.999 2.214 1.00 62.11 H new ATOM 0 HZ1 LYS A 97 18.959 14.660 0.004 1.00 73.43 H new ATOM 0 HZ2 LYS A 97 18.042 13.234 -0.097 1.00 73.43 H new ATOM 0 HZ3 LYS A 97 17.290 14.744 -0.293 1.00 73.43 H new ATOM 1593 N MET A 98 11.249 11.985 2.590 1.00 4.54 N ATOM 1594 CA MET A 98 10.254 10.934 2.835 1.00 33.33 C ATOM 1595 C MET A 98 8.929 11.225 2.110 1.00 63.05 C ATOM 1596 O MET A 98 8.392 10.365 1.410 1.00 75.52 O ATOM 1597 CB MET A 98 10.007 10.757 4.340 1.00 65.10 C ATOM 1598 CG MET A 98 9.680 12.051 5.074 1.00 13.44 C ATOM 1599 SD MET A 98 9.178 11.782 6.784 1.00 5.35 S ATOM 1600 CE MET A 98 10.475 10.693 7.363 1.00 1.20 C ATOM 0 H MET A 98 11.451 12.577 3.395 1.00 4.54 H new ATOM 0 HA MET A 98 10.659 10.005 2.433 1.00 33.33 H new ATOM 0 HB2 MET A 98 9.186 10.054 4.482 1.00 65.10 H new ATOM 0 HB3 MET A 98 10.892 10.309 4.792 1.00 65.10 H new ATOM 0 HG2 MET A 98 10.553 12.703 5.056 1.00 13.44 H new ATOM 0 HG3 MET A 98 8.882 12.571 4.544 1.00 13.44 H new ATOM 0 HE1 MET A 98 10.348 10.511 8.430 1.00 1.20 H new ATOM 0 HE2 MET A 98 10.423 9.747 6.825 1.00 1.20 H new ATOM 0 HE3 MET A 98 11.445 11.157 7.187 1.00 1.20 H new ATOM 1610 N LYS A 99 8.412 12.444 2.256 1.00 65.43 N ATOM 1611 CA LYS A 99 7.094 12.785 1.713 1.00 1.33 C ATOM 1612 C LYS A 99 7.070 12.730 0.172 1.00 22.24 C ATOM 1613 O LYS A 99 6.074 12.315 -0.423 1.00 3.42 O ATOM 1614 CB LYS A 99 6.648 14.171 2.202 1.00 42.43 C ATOM 1615 CG LYS A 99 7.407 15.331 1.571 1.00 64.24 C ATOM 1616 CD LYS A 99 6.851 16.675 2.022 1.00 30.42 C ATOM 1617 CE LYS A 99 7.179 17.777 1.019 1.00 34.34 C ATOM 1618 NZ LYS A 99 6.431 19.031 1.293 1.00 32.55 N ATOM 0 H LYS A 99 8.880 13.209 2.742 1.00 65.43 H new ATOM 0 HA LYS A 99 6.393 12.036 2.080 1.00 1.33 H new ATOM 0 HB2 LYS A 99 5.585 14.292 1.995 1.00 42.43 H new ATOM 0 HB3 LYS A 99 6.769 14.218 3.284 1.00 42.43 H new ATOM 0 HG2 LYS A 99 8.462 15.265 1.838 1.00 64.24 H new ATOM 0 HG3 LYS A 99 7.348 15.258 0.485 1.00 64.24 H new ATOM 0 HD2 LYS A 99 5.770 16.601 2.144 1.00 30.42 H new ATOM 0 HD3 LYS A 99 7.265 16.933 2.997 1.00 30.42 H new ATOM 0 HE2 LYS A 99 8.249 17.982 1.045 1.00 34.34 H new ATOM 0 HE3 LYS A 99 6.946 17.430 0.012 1.00 34.34 H new ATOM 0 HZ1 LYS A 99 6.687 19.749 0.586 1.00 32.55 H new ATOM 0 HZ2 LYS A 99 5.409 18.844 1.242 1.00 32.55 H new ATOM 0 HZ3 LYS A 99 6.672 19.379 2.243 1.00 32.55 H new ATOM 1632 N ARG A 100 8.167 13.140 -0.473 1.00 1.43 N ATOM 1633 CA ARG A 100 8.244 13.129 -1.942 1.00 0.31 C ATOM 1634 C ARG A 100 8.025 11.714 -2.506 1.00 41.14 C ATOM 1635 O ARG A 100 7.236 11.515 -3.431 1.00 31.44 O ATOM 1636 CB ARG A 100 9.592 13.685 -2.434 1.00 15.40 C ATOM 1637 CG ARG A 100 10.812 12.968 -1.866 1.00 20.31 C ATOM 1638 CD ARG A 100 12.071 13.235 -2.678 1.00 3.44 C ATOM 1639 NE ARG A 100 12.039 12.530 -3.954 1.00 53.45 N ATOM 1640 CZ ARG A 100 12.957 12.627 -4.871 1.00 22.33 C ATOM 1641 NH1 ARG A 100 13.950 13.445 -4.728 1.00 23.00 N ATOM 1642 NH2 ARG A 100 12.870 11.910 -5.944 1.00 13.03 N ATOM 0 H ARG A 100 9.008 13.481 -0.008 1.00 1.43 H new ATOM 0 HA ARG A 100 7.446 13.774 -2.308 1.00 0.31 H new ATOM 0 HB2 ARG A 100 9.622 13.622 -3.522 1.00 15.40 H new ATOM 0 HB3 ARG A 100 9.652 14.742 -2.174 1.00 15.40 H new ATOM 0 HG2 ARG A 100 10.972 13.288 -0.837 1.00 20.31 H new ATOM 0 HG3 ARG A 100 10.620 11.895 -1.840 1.00 20.31 H new ATOM 0 HD2 ARG A 100 12.172 14.306 -2.854 1.00 3.44 H new ATOM 0 HD3 ARG A 100 12.946 12.922 -2.109 1.00 3.44 H new ATOM 0 HE ARG A 100 11.243 11.920 -4.140 1.00 53.45 H new ATOM 0 HH11 ARG A 100 14.019 14.022 -3.890 1.00 23.00 H new ATOM 0 HH12 ARG A 100 14.664 13.512 -5.454 1.00 23.00 H new ATOM 0 HH21 ARG A 100 12.084 11.272 -6.069 1.00 13.03 H new ATOM 0 HH22 ARG A 100 13.587 11.983 -6.666 1.00 13.03 H new ATOM 1656 N GLU A 101 8.712 10.729 -1.927 1.00 15.44 N ATOM 1657 CA GLU A 101 8.612 9.345 -2.398 1.00 54.51 C ATOM 1658 C GLU A 101 7.322 8.688 -1.887 1.00 22.34 C ATOM 1659 O GLU A 101 6.792 7.767 -2.505 1.00 41.21 O ATOM 1660 CB GLU A 101 9.847 8.544 -1.960 1.00 12.15 C ATOM 1661 CG GLU A 101 11.176 9.136 -2.444 1.00 4.12 C ATOM 1662 CD GLU A 101 11.311 9.164 -3.965 1.00 74.13 C ATOM 1663 OE1 GLU A 101 10.785 10.102 -4.601 1.00 35.32 O ATOM 1664 OE2 GLU A 101 11.960 8.256 -4.529 1.00 21.51 O ATOM 0 H GLU A 101 9.341 10.861 -1.135 1.00 15.44 H new ATOM 0 HA GLU A 101 8.575 9.351 -3.487 1.00 54.51 H new ATOM 0 HB2 GLU A 101 9.862 8.485 -0.872 1.00 12.15 H new ATOM 0 HB3 GLU A 101 9.757 7.524 -2.334 1.00 12.15 H new ATOM 0 HG2 GLU A 101 11.274 10.151 -2.059 1.00 4.12 H new ATOM 0 HG3 GLU A 101 11.998 8.555 -2.025 1.00 4.12 H new ATOM 1671 N LEU A 102 6.809 9.178 -0.758 1.00 13.11 N ATOM 1672 CA LEU A 102 5.519 8.718 -0.233 1.00 73.02 C ATOM 1673 C LEU A 102 4.389 8.997 -1.236 1.00 13.35 C ATOM 1674 O LEU A 102 3.411 8.251 -1.314 1.00 21.31 O ATOM 1675 CB LEU A 102 5.216 9.402 1.110 1.00 51.21 C ATOM 1676 CG LEU A 102 3.903 8.973 1.791 1.00 20.35 C ATOM 1677 CD1 LEU A 102 3.911 7.475 2.090 1.00 45.21 C ATOM 1678 CD2 LEU A 102 3.672 9.780 3.069 1.00 12.41 C ATOM 0 H LEU A 102 7.264 9.892 -0.189 1.00 13.11 H new ATOM 0 HA LEU A 102 5.580 7.641 -0.076 1.00 73.02 H new ATOM 0 HB2 LEU A 102 6.041 9.203 1.794 1.00 51.21 H new ATOM 0 HB3 LEU A 102 5.187 10.480 0.951 1.00 51.21 H new ATOM 0 HG LEU A 102 3.081 9.176 1.105 1.00 20.35 H new ATOM 0 HD11 LEU A 102 2.974 7.195 2.571 1.00 45.21 H new ATOM 0 HD12 LEU A 102 4.022 6.919 1.159 1.00 45.21 H new ATOM 0 HD13 LEU A 102 4.743 7.241 2.754 1.00 45.21 H new ATOM 0 HD21 LEU A 102 2.740 9.463 3.536 1.00 12.41 H new ATOM 0 HD22 LEU A 102 4.499 9.613 3.759 1.00 12.41 H new ATOM 0 HD23 LEU A 102 3.613 10.840 2.824 1.00 12.41 H new ATOM 1690 N GLN A 103 4.538 10.065 -2.018 1.00 3.00 N ATOM 1691 CA GLN A 103 3.541 10.421 -3.031 1.00 40.21 C ATOM 1692 C GLN A 103 3.523 9.404 -4.176 1.00 2.44 C ATOM 1693 O GLN A 103 2.551 9.315 -4.916 1.00 64.33 O ATOM 1694 CB GLN A 103 3.791 11.840 -3.562 1.00 33.21 C ATOM 1695 CG GLN A 103 3.647 12.915 -2.490 1.00 42.41 C ATOM 1696 CD GLN A 103 2.302 12.855 -1.777 1.00 22.35 C ATOM 1697 OE1 GLN A 103 1.340 13.509 -2.173 1.00 50.32 O ATOM 1698 NE2 GLN A 103 2.217 12.050 -0.736 1.00 30.21 N ATOM 0 H GLN A 103 5.336 10.698 -1.971 1.00 3.00 H new ATOM 0 HA GLN A 103 2.560 10.401 -2.557 1.00 40.21 H new ATOM 0 HB2 GLN A 103 4.794 11.891 -3.987 1.00 33.21 H new ATOM 0 HB3 GLN A 103 3.091 12.047 -4.372 1.00 33.21 H new ATOM 0 HG2 GLN A 103 4.447 12.803 -1.758 1.00 42.41 H new ATOM 0 HG3 GLN A 103 3.768 13.897 -2.947 1.00 42.41 H new ATOM 0 HE21 GLN A 103 3.034 11.521 -0.433 1.00 30.21 H new ATOM 0 HE22 GLN A 103 1.334 11.957 -0.234 1.00 30.21 H new ATOM 1707 N ARG A 104 4.607 8.650 -4.319 1.00 72.40 N ATOM 1708 CA ARG A 104 4.641 7.507 -5.232 1.00 24.30 C ATOM 1709 C ARG A 104 3.716 6.383 -4.745 1.00 20.01 C ATOM 1710 O ARG A 104 2.878 5.882 -5.498 1.00 3.24 O ATOM 1711 CB ARG A 104 6.080 6.994 -5.357 1.00 40.22 C ATOM 1712 CG ARG A 104 6.883 7.669 -6.456 1.00 14.53 C ATOM 1713 CD ARG A 104 6.502 7.113 -7.823 1.00 3.23 C ATOM 1714 NE ARG A 104 6.622 5.652 -7.854 1.00 22.04 N ATOM 1715 CZ ARG A 104 6.474 4.913 -8.920 1.00 13.51 C ATOM 1716 NH1 ARG A 104 6.248 5.444 -10.079 1.00 51.30 N ATOM 1717 NH2 ARG A 104 6.568 3.630 -8.821 1.00 52.10 N ATOM 0 H ARG A 104 5.479 8.808 -3.813 1.00 72.40 H new ATOM 0 HA ARG A 104 4.285 7.832 -6.210 1.00 24.30 H new ATOM 0 HB2 ARG A 104 6.591 7.140 -4.405 1.00 40.22 H new ATOM 0 HB3 ARG A 104 6.057 5.921 -5.545 1.00 40.22 H new ATOM 0 HG2 ARG A 104 6.707 8.744 -6.434 1.00 14.53 H new ATOM 0 HG3 ARG A 104 7.948 7.517 -6.280 1.00 14.53 H new ATOM 0 HD2 ARG A 104 5.479 7.402 -8.063 1.00 3.23 H new ATOM 0 HD3 ARG A 104 7.144 7.549 -8.588 1.00 3.23 H new ATOM 0 HE ARG A 104 6.837 5.178 -6.977 1.00 22.04 H new ATOM 0 HH11 ARG A 104 6.183 6.458 -10.172 1.00 51.30 H new ATOM 0 HH12 ARG A 104 6.135 4.849 -10.900 1.00 51.30 H new ATOM 0 HH21 ARG A 104 6.757 3.201 -7.915 1.00 52.10 H new ATOM 0 HH22 ARG A 104 6.454 3.045 -9.649 1.00 52.10 H new ATOM 1731 N VAL A 105 3.876 5.998 -3.482 1.00 52.33 N ATOM 1732 CA VAL A 105 3.025 4.974 -2.866 1.00 30.32 C ATOM 1733 C VAL A 105 1.550 5.407 -2.857 1.00 52.11 C ATOM 1734 O VAL A 105 0.655 4.613 -3.161 1.00 21.33 O ATOM 1735 CB VAL A 105 3.484 4.665 -1.420 1.00 63.32 C ATOM 1736 CG1 VAL A 105 2.633 3.559 -0.794 1.00 53.20 C ATOM 1737 CG2 VAL A 105 4.963 4.290 -1.406 1.00 2.44 C ATOM 0 H VAL A 105 4.589 6.379 -2.860 1.00 52.33 H new ATOM 0 HA VAL A 105 3.121 4.071 -3.468 1.00 30.32 H new ATOM 0 HB VAL A 105 3.348 5.563 -0.818 1.00 63.32 H new ATOM 0 HG11 VAL A 105 2.979 3.364 0.221 1.00 53.20 H new ATOM 0 HG12 VAL A 105 1.590 3.874 -0.768 1.00 53.20 H new ATOM 0 HG13 VAL A 105 2.723 2.650 -1.389 1.00 53.20 H new ATOM 0 HG21 VAL A 105 5.274 4.075 -0.384 1.00 2.44 H new ATOM 0 HG22 VAL A 105 5.121 3.408 -2.026 1.00 2.44 H new ATOM 0 HG23 VAL A 105 5.552 5.119 -1.798 1.00 2.44 H new ATOM 1747 N GLU A 106 1.302 6.670 -2.511 1.00 51.30 N ATOM 1748 CA GLU A 106 -0.054 7.222 -2.541 1.00 42.54 C ATOM 1749 C GLU A 106 -0.582 7.338 -3.978 1.00 72.25 C ATOM 1750 O GLU A 106 -1.768 7.125 -4.224 1.00 5.25 O ATOM 1751 CB GLU A 106 -0.110 8.584 -1.840 1.00 73.25 C ATOM 1752 CG GLU A 106 0.155 8.513 -0.339 1.00 51.52 C ATOM 1753 CD GLU A 106 -0.283 9.773 0.389 1.00 64.30 C ATOM 1754 OE1 GLU A 106 -1.503 10.052 0.408 1.00 32.25 O ATOM 1755 OE2 GLU A 106 0.569 10.476 0.962 1.00 12.20 O ATOM 0 H GLU A 106 2.019 7.329 -2.208 1.00 51.30 H new ATOM 0 HA GLU A 106 -0.698 6.529 -2.000 1.00 42.54 H new ATOM 0 HB2 GLU A 106 0.622 9.249 -2.298 1.00 73.25 H new ATOM 0 HB3 GLU A 106 -1.092 9.028 -2.006 1.00 73.25 H new ATOM 0 HG2 GLU A 106 -0.370 7.654 0.079 1.00 51.52 H new ATOM 0 HG3 GLU A 106 1.219 8.350 -0.168 1.00 51.52 H new ATOM 1762 N ASP A 107 0.296 7.677 -4.923 1.00 45.33 N ATOM 1763 CA ASP A 107 -0.063 7.672 -6.348 1.00 25.13 C ATOM 1764 C ASP A 107 -0.541 6.276 -6.776 1.00 14.12 C ATOM 1765 O ASP A 107 -1.604 6.119 -7.379 1.00 4.42 O ATOM 1766 CB ASP A 107 1.134 8.102 -7.203 1.00 24.51 C ATOM 1767 CG ASP A 107 0.820 8.098 -8.687 1.00 41.41 C ATOM 1768 OD1 ASP A 107 0.133 9.027 -9.154 1.00 52.11 O ATOM 1769 OD2 ASP A 107 1.268 7.173 -9.397 1.00 31.14 O ATOM 0 H ASP A 107 1.258 7.958 -4.732 1.00 45.33 H new ATOM 0 HA ASP A 107 -0.876 8.383 -6.500 1.00 25.13 H new ATOM 0 HB2 ASP A 107 1.449 9.102 -6.904 1.00 24.51 H new ATOM 0 HB3 ASP A 107 1.973 7.433 -7.011 1.00 24.51 H new ATOM 1774 N SER A 108 0.252 5.264 -6.448 1.00 73.33 N ATOM 1775 CA SER A 108 -0.122 3.875 -6.709 1.00 13.04 C ATOM 1776 C SER A 108 -1.444 3.526 -6.011 1.00 60.04 C ATOM 1777 O SER A 108 -2.331 2.928 -6.607 1.00 3.24 O ATOM 1778 CB SER A 108 0.996 2.932 -6.248 1.00 52.23 C ATOM 1779 OG SER A 108 2.219 3.232 -6.911 1.00 44.04 O ATOM 0 H SER A 108 1.161 5.377 -5.999 1.00 73.33 H new ATOM 0 HA SER A 108 -0.264 3.751 -7.783 1.00 13.04 H new ATOM 0 HB2 SER A 108 1.131 3.021 -5.170 1.00 52.23 H new ATOM 0 HB3 SER A 108 0.712 1.899 -6.450 1.00 52.23 H new ATOM 0 HG SER A 108 2.578 4.077 -6.569 1.00 44.04 H new ATOM 1785 N HIS A 109 -1.577 3.937 -4.752 1.00 1.11 N ATOM 1786 CA HIS A 109 -2.798 3.693 -3.973 1.00 2.35 C ATOM 1787 C HIS A 109 -4.033 4.364 -4.600 1.00 1.23 C ATOM 1788 O HIS A 109 -5.106 3.768 -4.658 1.00 44.11 O ATOM 1789 CB HIS A 109 -2.603 4.184 -2.534 1.00 10.24 C ATOM 1790 CG HIS A 109 -3.820 4.056 -1.663 1.00 34.32 C ATOM 1791 ND1 HIS A 109 -4.537 2.887 -1.519 1.00 32.02 N ATOM 1792 CD2 HIS A 109 -4.434 4.965 -0.868 1.00 33.32 C ATOM 1793 CE1 HIS A 109 -5.526 3.082 -0.672 1.00 24.03 C ATOM 1794 NE2 HIS A 109 -5.487 4.329 -0.263 1.00 21.24 N ATOM 0 H HIS A 109 -0.852 4.444 -4.243 1.00 1.11 H new ATOM 0 HA HIS A 109 -2.980 2.618 -3.974 1.00 2.35 H new ATOM 0 HB2 HIS A 109 -1.786 3.624 -2.080 1.00 10.24 H new ATOM 0 HB3 HIS A 109 -2.297 5.230 -2.558 1.00 10.24 H new ATOM 0 HD1 HIS A 109 -4.333 2.008 -1.995 1.00 32.02 H new ATOM 0 HD2 HIS A 109 -4.147 5.998 -0.736 1.00 33.32 H new ATOM 0 HE1 HIS A 109 -6.248 2.340 -0.365 1.00 24.03 H new ATOM 1803 N GLN A 110 -3.883 5.600 -5.075 1.00 0.11 N ATOM 1804 CA GLN A 110 -5.020 6.334 -5.637 1.00 43.42 C ATOM 1805 C GLN A 110 -5.464 5.737 -6.982 1.00 55.22 C ATOM 1806 O GLN A 110 -6.658 5.666 -7.263 1.00 64.44 O ATOM 1807 CB GLN A 110 -4.708 7.836 -5.784 1.00 3.32 C ATOM 1808 CG GLN A 110 -3.679 8.181 -6.859 1.00 31.32 C ATOM 1809 CD GLN A 110 -3.373 9.673 -6.943 1.00 65.33 C ATOM 1810 OE1 GLN A 110 -3.422 10.363 -5.819 1.00 12.24 O flip ATOM 1811 NE2 GLN A 110 -3.079 10.200 -8.012 1.00 3.45 N flip ATOM 0 H GLN A 110 -2.999 6.110 -5.083 1.00 0.11 H new ATOM 0 HA GLN A 110 -5.846 6.232 -4.934 1.00 43.42 H new ATOM 0 HB2 GLN A 110 -5.635 8.364 -6.008 1.00 3.32 H new ATOM 0 HB3 GLN A 110 -4.350 8.213 -4.826 1.00 3.32 H new ATOM 0 HG2 GLN A 110 -2.756 7.638 -6.656 1.00 31.32 H new ATOM 0 HG3 GLN A 110 -4.045 7.837 -7.826 1.00 31.32 H new ATOM 0 HE21 GLN A 110 -3.049 9.641 -8.865 1.00 3.45 H new ATOM 0 HE22 GLN A 110 -2.865 11.197 -8.047 1.00 3.45 H new ATOM 1820 N ILE A 111 -4.509 5.288 -7.806 1.00 45.11 N ATOM 1821 CA ILE A 111 -4.858 4.642 -9.079 1.00 22.15 C ATOM 1822 C ILE A 111 -5.443 3.239 -8.849 1.00 64.33 C ATOM 1823 O ILE A 111 -6.296 2.786 -9.612 1.00 72.14 O ATOM 1824 CB ILE A 111 -3.663 4.565 -10.069 1.00 54.20 C ATOM 1825 CG1 ILE A 111 -2.546 3.658 -9.530 1.00 75.34 C ATOM 1826 CG2 ILE A 111 -3.127 5.967 -10.364 1.00 33.22 C ATOM 1827 CD1 ILE A 111 -1.378 3.499 -10.482 1.00 11.00 C ATOM 0 H ILE A 111 -3.508 5.357 -7.621 1.00 45.11 H new ATOM 0 HA ILE A 111 -5.617 5.275 -9.538 1.00 22.15 H new ATOM 0 HB ILE A 111 -4.024 4.125 -10.999 1.00 54.20 H new ATOM 0 HG12 ILE A 111 -2.182 4.066 -8.587 1.00 75.34 H new ATOM 0 HG13 ILE A 111 -2.962 2.674 -9.312 1.00 75.34 H new ATOM 0 HG21 ILE A 111 -2.290 5.898 -11.059 1.00 33.22 H new ATOM 0 HG22 ILE A 111 -3.917 6.573 -10.807 1.00 33.22 H new ATOM 0 HG23 ILE A 111 -2.791 6.431 -9.437 1.00 33.22 H new ATOM 0 HD11 ILE A 111 -0.629 2.846 -10.034 1.00 11.00 H new ATOM 0 HD12 ILE A 111 -1.728 3.062 -11.417 1.00 11.00 H new ATOM 0 HD13 ILE A 111 -0.935 4.475 -10.681 1.00 11.00 H new ATOM 1839 N LEU A 112 -4.986 2.551 -7.795 1.00 20.31 N ATOM 1840 CA LEU A 112 -5.615 1.291 -7.367 1.00 70.41 C ATOM 1841 C LEU A 112 -7.076 1.537 -6.975 1.00 74.41 C ATOM 1842 O LEU A 112 -7.987 0.842 -7.425 1.00 24.13 O ATOM 1843 CB LEU A 112 -4.870 0.678 -6.170 1.00 72.43 C ATOM 1844 CG LEU A 112 -3.436 0.194 -6.436 1.00 43.24 C ATOM 1845 CD1 LEU A 112 -2.808 -0.328 -5.149 1.00 5.40 C ATOM 1846 CD2 LEU A 112 -3.409 -0.875 -7.524 1.00 53.02 C ATOM 0 H LEU A 112 -4.190 2.841 -7.226 1.00 20.31 H new ATOM 0 HA LEU A 112 -5.568 0.595 -8.205 1.00 70.41 H new ATOM 0 HB2 LEU A 112 -4.838 1.419 -5.371 1.00 72.43 H new ATOM 0 HB3 LEU A 112 -5.453 -0.166 -5.800 1.00 72.43 H new ATOM 0 HG LEU A 112 -2.850 1.042 -6.790 1.00 43.24 H new ATOM 0 HD11 LEU A 112 -1.792 -0.668 -5.352 1.00 5.40 H new ATOM 0 HD12 LEU A 112 -2.783 0.470 -4.407 1.00 5.40 H new ATOM 0 HD13 LEU A 112 -3.399 -1.160 -4.767 1.00 5.40 H new ATOM 0 HD21 LEU A 112 -2.382 -1.198 -7.691 1.00 53.02 H new ATOM 0 HD22 LEU A 112 -4.012 -1.728 -7.211 1.00 53.02 H new ATOM 0 HD23 LEU A 112 -3.814 -0.464 -8.448 1.00 53.02 H new ATOM 1858 N SER A 113 -7.281 2.546 -6.132 1.00 44.33 N ATOM 1859 CA SER A 113 -8.624 2.952 -5.704 1.00 53.40 C ATOM 1860 C SER A 113 -9.516 3.302 -6.904 1.00 32.52 C ATOM 1861 O SER A 113 -10.653 2.842 -6.996 1.00 71.33 O ATOM 1862 CB SER A 113 -8.532 4.158 -4.759 1.00 32.50 C ATOM 1863 OG SER A 113 -9.808 4.523 -4.249 1.00 5.21 O ATOM 0 H SER A 113 -6.529 3.104 -5.727 1.00 44.33 H new ATOM 0 HA SER A 113 -9.075 2.109 -5.181 1.00 53.40 H new ATOM 0 HB2 SER A 113 -7.863 3.922 -3.931 1.00 32.50 H new ATOM 0 HB3 SER A 113 -8.096 5.004 -5.290 1.00 32.50 H new ATOM 0 HG SER A 113 -9.713 5.293 -3.650 1.00 5.21 H new ATOM 1869 N GLN A 114 -8.986 4.115 -7.826 1.00 12.50 N ATOM 1870 CA GLN A 114 -9.721 4.508 -9.040 1.00 13.54 C ATOM 1871 C GLN A 114 -10.116 3.286 -9.885 1.00 52.10 C ATOM 1872 O GLN A 114 -11.290 3.098 -10.201 1.00 21.31 O ATOM 1873 CB GLN A 114 -8.883 5.485 -9.884 1.00 71.40 C ATOM 1874 CG GLN A 114 -8.692 6.857 -9.238 1.00 71.31 C ATOM 1875 CD GLN A 114 -9.985 7.651 -9.112 1.00 10.50 C ATOM 1876 OE1 GLN A 114 -10.883 7.498 -10.067 1.00 33.24 O flip ATOM 1877 NE2 GLN A 114 -10.169 8.417 -8.172 1.00 53.32 N flip ATOM 0 H GLN A 114 -8.050 4.515 -7.757 1.00 12.50 H new ATOM 0 HA GLN A 114 -10.637 5.005 -8.721 1.00 13.54 H new ATOM 0 HB2 GLN A 114 -7.904 5.042 -10.069 1.00 71.40 H new ATOM 0 HB3 GLN A 114 -9.363 5.615 -10.854 1.00 71.40 H new ATOM 0 HG2 GLN A 114 -8.256 6.727 -8.247 1.00 71.31 H new ATOM 0 HG3 GLN A 114 -7.977 7.432 -9.827 1.00 71.31 H new ATOM 0 HE21 GLN A 114 -9.458 8.516 -7.448 1.00 53.32 H new ATOM 0 HE22 GLN A 114 -11.033 8.955 -8.115 1.00 53.32 H new ATOM 1886 N THR A 115 -9.135 2.449 -10.232 1.00 42.22 N ATOM 1887 CA THR A 115 -9.397 1.238 -11.029 1.00 42.13 C ATOM 1888 C THR A 115 -10.457 0.351 -10.364 1.00 64.44 C ATOM 1889 O THR A 115 -11.458 -0.010 -10.984 1.00 21.11 O ATOM 1890 CB THR A 115 -8.114 0.402 -11.254 1.00 41.15 C ATOM 1891 OG1 THR A 115 -7.526 0.041 -9.999 1.00 30.21 O ATOM 1892 CG2 THR A 115 -7.094 1.168 -12.093 1.00 40.14 C ATOM 0 H THR A 115 -8.156 2.582 -9.978 1.00 42.22 H new ATOM 0 HA THR A 115 -9.765 1.583 -11.995 1.00 42.13 H new ATOM 0 HB THR A 115 -8.399 -0.501 -11.794 1.00 41.15 H new ATOM 0 HG1 THR A 115 -7.172 0.843 -9.561 1.00 30.21 H new ATOM 0 HG21 THR A 115 -6.204 0.554 -12.233 1.00 40.14 H new ATOM 0 HG22 THR A 115 -7.527 1.406 -13.064 1.00 40.14 H new ATOM 0 HG23 THR A 115 -6.821 2.091 -11.581 1.00 40.14 H new ATOM 1900 N SER A 116 -10.241 0.019 -9.091 1.00 3.30 N ATOM 1901 CA SER A 116 -11.209 -0.771 -8.313 1.00 71.52 C ATOM 1902 C SER A 116 -12.588 -0.094 -8.285 1.00 53.35 C ATOM 1903 O SER A 116 -13.626 -0.757 -8.377 1.00 4.01 O ATOM 1904 CB SER A 116 -10.708 -0.970 -6.876 1.00 10.32 C ATOM 1905 OG SER A 116 -11.641 -1.703 -6.095 1.00 24.44 O ATOM 0 H SER A 116 -9.404 0.283 -8.571 1.00 3.30 H new ATOM 0 HA SER A 116 -11.308 -1.741 -8.800 1.00 71.52 H new ATOM 0 HB2 SER A 116 -9.753 -1.496 -6.892 1.00 10.32 H new ATOM 0 HB3 SER A 116 -10.529 0.001 -6.414 1.00 10.32 H new ATOM 0 HG SER A 116 -11.291 -1.814 -5.186 1.00 24.44 H new ATOM 1911 N HIS A 117 -12.585 1.234 -8.178 1.00 35.10 N ATOM 1912 CA HIS A 117 -13.821 2.019 -8.160 1.00 4.12 C ATOM 1913 C HIS A 117 -14.598 1.844 -9.475 1.00 63.22 C ATOM 1914 O HIS A 117 -15.790 1.537 -9.461 1.00 14.11 O ATOM 1915 CB HIS A 117 -13.499 3.503 -7.919 1.00 13.04 C ATOM 1916 CG HIS A 117 -14.675 4.324 -7.474 1.00 41.55 C ATOM 1917 ND1 HIS A 117 -14.834 4.764 -6.175 1.00 64.33 N ATOM 1918 CD2 HIS A 117 -15.744 4.802 -8.157 1.00 53.30 C ATOM 1919 CE1 HIS A 117 -15.941 5.471 -6.080 1.00 51.44 C ATOM 1920 NE2 HIS A 117 -16.512 5.511 -7.265 1.00 31.31 N ATOM 0 H HIS A 117 -11.735 1.793 -8.102 1.00 35.10 H new ATOM 0 HA HIS A 117 -14.449 1.658 -7.346 1.00 4.12 H new ATOM 0 HB2 HIS A 117 -12.714 3.575 -7.166 1.00 13.04 H new ATOM 0 HB3 HIS A 117 -13.099 3.930 -8.838 1.00 13.04 H new ATOM 0 HD2 HIS A 117 -15.953 4.653 -9.206 1.00 53.30 H new ATOM 0 HE1 HIS A 117 -16.317 5.939 -5.182 1.00 51.44 H new ATOM 0 HE2 HIS A 117 -17.384 5.991 -7.486 1.00 31.31 H new ATOM 1929 N ASP A 118 -13.910 2.018 -10.607 1.00 3.24 N ATOM 1930 CA ASP A 118 -14.535 1.842 -11.925 1.00 31.44 C ATOM 1931 C ASP A 118 -15.057 0.405 -12.106 1.00 53.11 C ATOM 1932 O ASP A 118 -16.167 0.194 -12.601 1.00 72.22 O ATOM 1933 CB ASP A 118 -13.545 2.182 -13.050 1.00 44.04 C ATOM 1934 CG ASP A 118 -13.286 3.675 -13.183 1.00 53.14 C ATOM 1935 OD1 ASP A 118 -14.162 4.387 -13.715 1.00 73.41 O ATOM 1936 OD2 ASP A 118 -12.201 4.144 -12.783 1.00 52.20 O ATOM 0 H ASP A 118 -12.925 2.279 -10.640 1.00 3.24 H new ATOM 0 HA ASP A 118 -15.381 2.528 -11.980 1.00 31.44 H new ATOM 0 HB2 ASP A 118 -12.601 1.670 -12.863 1.00 44.04 H new ATOM 0 HB3 ASP A 118 -13.932 1.800 -13.995 1.00 44.04 H new ATOM 1941 N LEU A 119 -14.251 -0.581 -11.701 1.00 74.23 N ATOM 1942 CA LEU A 119 -14.663 -1.991 -11.755 1.00 34.41 C ATOM 1943 C LEU A 119 -15.955 -2.213 -10.954 1.00 32.23 C ATOM 1944 O LEU A 119 -16.869 -2.914 -11.400 1.00 12.30 O ATOM 1945 CB LEU A 119 -13.548 -2.896 -11.212 1.00 74.52 C ATOM 1946 CG LEU A 119 -12.206 -2.813 -11.958 1.00 5.34 C ATOM 1947 CD1 LEU A 119 -11.170 -3.722 -11.305 1.00 4.33 C ATOM 1948 CD2 LEU A 119 -12.378 -3.157 -13.436 1.00 12.21 C ATOM 0 H LEU A 119 -13.312 -0.432 -11.333 1.00 74.23 H new ATOM 0 HA LEU A 119 -14.852 -2.248 -12.797 1.00 34.41 H new ATOM 0 HB2 LEU A 119 -13.378 -2.645 -10.165 1.00 74.52 H new ATOM 0 HB3 LEU A 119 -13.896 -3.929 -11.240 1.00 74.52 H new ATOM 0 HG LEU A 119 -11.847 -1.786 -11.894 1.00 5.34 H new ATOM 0 HD11 LEU A 119 -10.228 -3.649 -11.848 1.00 4.33 H new ATOM 0 HD12 LEU A 119 -11.017 -3.415 -10.270 1.00 4.33 H new ATOM 0 HD13 LEU A 119 -11.523 -4.753 -11.329 1.00 4.33 H new ATOM 0 HD21 LEU A 119 -11.414 -3.090 -13.940 1.00 12.21 H new ATOM 0 HD22 LEU A 119 -12.768 -4.171 -13.531 1.00 12.21 H new ATOM 0 HD23 LEU A 119 -13.076 -2.456 -13.894 1.00 12.21 H new ATOM 1960 N ASN A 120 -16.028 -1.595 -9.774 1.00 12.00 N ATOM 1961 CA ASN A 120 -17.230 -1.659 -8.937 1.00 53.42 C ATOM 1962 C ASN A 120 -18.423 -0.992 -9.642 1.00 60.33 C ATOM 1963 O ASN A 120 -19.538 -1.519 -9.636 1.00 35.00 O ATOM 1964 CB ASN A 120 -16.974 -0.979 -7.585 1.00 61.41 C ATOM 1965 CG ASN A 120 -18.140 -1.138 -6.625 1.00 10.54 C ATOM 1966 OD1 ASN A 120 -18.838 -2.146 -6.642 1.00 23.51 O ATOM 1967 ND2 ASN A 120 -18.364 -0.150 -5.786 1.00 33.04 N ATOM 0 H ASN A 120 -15.268 -1.043 -9.375 1.00 12.00 H new ATOM 0 HA ASN A 120 -17.471 -2.709 -8.768 1.00 53.42 H new ATOM 0 HB2 ASN A 120 -16.076 -1.401 -7.134 1.00 61.41 H new ATOM 0 HB3 ASN A 120 -16.782 0.082 -7.746 1.00 61.41 H new ATOM 0 HD21 ASN A 120 -19.137 -0.209 -5.124 1.00 33.04 H new ATOM 0 HD22 ASN A 120 -17.764 0.675 -5.798 1.00 33.04 H new ATOM 1974 N GLU A 121 -18.179 0.163 -10.264 1.00 23.10 N ATOM 1975 CA GLU A 121 -19.220 0.865 -11.026 1.00 72.12 C ATOM 1976 C GLU A 121 -19.627 0.067 -12.277 1.00 23.50 C ATOM 1977 O GLU A 121 -20.703 0.274 -12.841 1.00 2.05 O ATOM 1978 CB GLU A 121 -18.752 2.274 -11.424 1.00 41.44 C ATOM 1979 CG GLU A 121 -18.290 3.122 -10.242 1.00 21.24 C ATOM 1980 CD GLU A 121 -18.146 4.599 -10.580 1.00 45.31 C ATOM 1981 OE1 GLU A 121 -17.155 4.974 -11.238 1.00 11.41 O ATOM 1982 OE2 GLU A 121 -19.023 5.396 -10.175 1.00 31.03 O ATOM 0 H GLU A 121 -17.274 0.633 -10.257 1.00 23.10 H new ATOM 0 HA GLU A 121 -20.093 0.958 -10.381 1.00 72.12 H new ATOM 0 HB2 GLU A 121 -17.934 2.187 -12.140 1.00 41.44 H new ATOM 0 HB3 GLU A 121 -19.567 2.788 -11.932 1.00 41.44 H new ATOM 0 HG2 GLU A 121 -19.002 3.011 -9.424 1.00 21.24 H new ATOM 0 HG3 GLU A 121 -17.333 2.743 -9.884 1.00 21.24 H new ATOM 1989 N CYS A 122 -18.755 -0.847 -12.701 1.00 41.14 N ATOM 1990 CA CYS A 122 -19.057 -1.773 -13.803 1.00 75.44 C ATOM 1991 C CYS A 122 -19.669 -3.086 -13.281 1.00 43.52 C ATOM 1992 O CYS A 122 -19.820 -4.052 -14.033 1.00 13.20 O ATOM 1993 CB CYS A 122 -17.783 -2.072 -14.605 1.00 31.52 C ATOM 1994 SG CYS A 122 -17.082 -0.633 -15.447 1.00 73.31 S ATOM 0 H CYS A 122 -17.826 -0.970 -12.298 1.00 41.14 H new ATOM 0 HA CYS A 122 -19.789 -1.293 -14.452 1.00 75.44 H new ATOM 0 HB2 CYS A 122 -17.032 -2.486 -13.932 1.00 31.52 H new ATOM 0 HB3 CYS A 122 -18.005 -2.840 -15.346 1.00 31.52 H new ATOM 0 HG CYS A 122 -16.504 0.140 -14.576 1.00 73.31 H new ATOM 2000 N SER A 123 -19.998 -3.117 -11.983 1.00 33.22 N ATOM 2001 CA SER A 123 -20.652 -4.280 -11.349 1.00 60.34 C ATOM 2002 C SER A 123 -19.779 -5.546 -11.408 1.00 33.35 C ATOM 2003 O SER A 123 -20.261 -6.649 -11.145 1.00 5.42 O ATOM 2004 CB SER A 123 -22.017 -4.557 -12.015 1.00 14.54 C ATOM 2005 OG SER A 123 -22.691 -5.660 -11.418 1.00 22.41 O ATOM 0 H SER A 123 -19.822 -2.344 -11.342 1.00 33.22 H new ATOM 0 HA SER A 123 -20.799 -4.029 -10.299 1.00 60.34 H new ATOM 0 HB2 SER A 123 -22.643 -3.668 -11.941 1.00 14.54 H new ATOM 0 HB3 SER A 123 -21.868 -4.755 -13.076 1.00 14.54 H new ATOM 0 HG SER A 123 -22.037 -6.343 -11.160 1.00 22.41 H new ATOM 2011 N TRP A 124 -18.494 -5.384 -11.746 1.00 43.31 N ATOM 2012 CA TRP A 124 -17.580 -6.527 -11.940 1.00 21.52 C ATOM 2013 C TRP A 124 -18.137 -7.543 -12.956 1.00 22.21 C ATOM 2014 O TRP A 124 -17.715 -8.699 -12.992 1.00 31.22 O ATOM 2015 CB TRP A 124 -17.289 -7.222 -10.598 1.00 24.40 C ATOM 2016 CG TRP A 124 -16.269 -6.507 -9.760 1.00 55.21 C ATOM 2017 CD1 TRP A 124 -16.472 -5.433 -8.942 1.00 50.22 C ATOM 2018 CD2 TRP A 124 -14.878 -6.822 -9.671 1.00 10.23 C ATOM 2019 NE1 TRP A 124 -15.287 -5.063 -8.349 1.00 75.34 N ATOM 2020 CE2 TRP A 124 -14.292 -5.901 -8.782 1.00 41.45 C ATOM 2021 CE3 TRP A 124 -14.071 -7.799 -10.258 1.00 62.51 C ATOM 2022 CZ2 TRP A 124 -12.936 -5.929 -8.468 1.00 0.40 C ATOM 2023 CZ3 TRP A 124 -12.728 -7.826 -9.949 1.00 55.22 C ATOM 2024 CH2 TRP A 124 -12.169 -6.897 -9.059 1.00 1.14 C ATOM 0 H TRP A 124 -18.059 -4.473 -11.892 1.00 43.31 H new ATOM 0 HA TRP A 124 -16.649 -6.131 -12.345 1.00 21.52 H new ATOM 0 HB2 TRP A 124 -18.217 -7.306 -10.033 1.00 24.40 H new ATOM 0 HB3 TRP A 124 -16.941 -8.237 -10.792 1.00 24.40 H new ATOM 0 HD1 TRP A 124 -17.423 -4.946 -8.784 1.00 50.22 H new ATOM 0 HE1 TRP A 124 -15.168 -4.291 -7.694 1.00 75.34 H new ATOM 0 HE3 TRP A 124 -14.492 -8.521 -10.942 1.00 62.51 H new ATOM 0 HZ2 TRP A 124 -12.505 -5.213 -7.783 1.00 0.40 H new ATOM 0 HZ3 TRP A 124 -12.095 -8.576 -10.400 1.00 55.22 H new ATOM 0 HH2 TRP A 124 -11.113 -6.946 -8.836 1.00 1.14 H new ATOM 2035 N SER A 125 -19.065 -7.093 -13.798 1.00 2.53 N ATOM 2036 CA SER A 125 -19.725 -7.971 -14.772 1.00 13.35 C ATOM 2037 C SER A 125 -18.745 -8.512 -15.815 1.00 73.02 C ATOM 2038 O SER A 125 -17.993 -7.756 -16.437 1.00 42.14 O ATOM 2039 CB SER A 125 -20.874 -7.233 -15.477 1.00 44.35 C ATOM 2040 OG SER A 125 -21.940 -6.965 -14.579 1.00 21.20 O ATOM 0 H SER A 125 -19.380 -6.123 -13.828 1.00 2.53 H new ATOM 0 HA SER A 125 -20.125 -8.818 -14.215 1.00 13.35 H new ATOM 0 HB2 SER A 125 -20.505 -6.297 -15.897 1.00 44.35 H new ATOM 0 HB3 SER A 125 -21.239 -7.834 -16.310 1.00 44.35 H new ATOM 0 HG SER A 125 -22.656 -6.494 -15.053 1.00 21.20 H new ATOM 2046 N LEU A 126 -18.780 -9.825 -16.026 1.00 2.32 N ATOM 2047 CA LEU A 126 -17.914 -10.482 -17.009 1.00 12.45 C ATOM 2048 C LEU A 126 -18.153 -9.912 -18.415 1.00 13.42 C ATOM 2049 O LEU A 126 -17.271 -9.960 -19.272 1.00 70.53 O ATOM 2050 CB LEU A 126 -18.140 -12.005 -16.998 1.00 41.35 C ATOM 2051 CG LEU A 126 -17.631 -12.748 -15.746 1.00 45.42 C ATOM 2052 CD1 LEU A 126 -16.148 -12.478 -15.528 1.00 22.30 C ATOM 2053 CD2 LEU A 126 -18.433 -12.371 -14.499 1.00 42.03 C ATOM 0 H LEU A 126 -19.402 -10.461 -15.527 1.00 2.32 H new ATOM 0 HA LEU A 126 -16.878 -10.285 -16.733 1.00 12.45 H new ATOM 0 HB2 LEU A 126 -19.208 -12.196 -17.102 1.00 41.35 H new ATOM 0 HB3 LEU A 126 -17.653 -12.432 -17.875 1.00 41.35 H new ATOM 0 HG LEU A 126 -17.772 -13.815 -15.919 1.00 45.42 H new ATOM 0 HD11 LEU A 126 -15.808 -13.011 -14.640 1.00 22.30 H new ATOM 0 HD12 LEU A 126 -15.584 -12.821 -16.395 1.00 22.30 H new ATOM 0 HD13 LEU A 126 -15.989 -11.408 -15.392 1.00 22.30 H new ATOM 0 HD21 LEU A 126 -18.044 -12.915 -13.638 1.00 42.03 H new ATOM 0 HD22 LEU A 126 -18.346 -11.299 -14.321 1.00 42.03 H new ATOM 0 HD23 LEU A 126 -19.481 -12.630 -14.649 1.00 42.03 H new ATOM 2065 N ASN A 127 -19.351 -9.366 -18.626 1.00 3.31 N ATOM 2066 CA ASN A 127 -19.690 -8.632 -19.854 1.00 61.42 C ATOM 2067 C ASN A 127 -18.618 -7.590 -20.206 1.00 22.12 C ATOM 2068 O ASN A 127 -18.258 -7.408 -21.370 1.00 20.24 O ATOM 2069 CB ASN A 127 -21.023 -7.901 -19.660 1.00 54.35 C ATOM 2070 CG ASN A 127 -22.193 -8.831 -19.417 1.00 30.13 C ATOM 2071 OD1 ASN A 127 -22.030 -9.960 -18.964 1.00 32.12 O ATOM 2072 ND2 ASN A 127 -23.387 -8.346 -19.683 1.00 62.45 N ATOM 0 H ASN A 127 -20.116 -9.418 -17.953 1.00 3.31 H new ATOM 0 HA ASN A 127 -19.755 -9.358 -20.664 1.00 61.42 H new ATOM 0 HB2 ASN A 127 -20.933 -7.216 -18.817 1.00 54.35 H new ATOM 0 HB3 ASN A 127 -21.228 -7.295 -20.543 1.00 54.35 H new ATOM 0 HD21 ASN A 127 -24.217 -8.913 -19.513 1.00 62.45 H new ATOM 0 HD22 ASN A 127 -23.482 -7.403 -20.059 1.00 62.45 H new ATOM 2079 N ILE A 128 -18.129 -6.905 -19.180 1.00 21.04 N ATOM 2080 CA ILE A 128 -17.203 -5.784 -19.344 1.00 41.44 C ATOM 2081 C ILE A 128 -15.741 -6.208 -19.118 1.00 12.13 C ATOM 2082 O ILE A 128 -14.829 -5.697 -19.765 1.00 63.50 O ATOM 2083 CB ILE A 128 -17.592 -4.646 -18.361 1.00 61.24 C ATOM 2084 CG1 ILE A 128 -19.070 -4.261 -18.576 1.00 42.12 C ATOM 2085 CG2 ILE A 128 -16.681 -3.432 -18.535 1.00 54.32 C ATOM 2086 CD1 ILE A 128 -19.622 -3.296 -17.548 1.00 10.20 C ATOM 0 H ILE A 128 -18.362 -7.109 -18.208 1.00 21.04 H new ATOM 0 HA ILE A 128 -17.280 -5.428 -20.371 1.00 41.44 H new ATOM 0 HB ILE A 128 -17.464 -5.005 -17.340 1.00 61.24 H new ATOM 0 HG12 ILE A 128 -19.177 -3.818 -19.566 1.00 42.12 H new ATOM 0 HG13 ILE A 128 -19.674 -5.168 -18.566 1.00 42.12 H new ATOM 0 HG21 ILE A 128 -16.977 -2.652 -17.834 1.00 54.32 H new ATOM 0 HG22 ILE A 128 -15.648 -3.721 -18.341 1.00 54.32 H new ATOM 0 HG23 ILE A 128 -16.767 -3.056 -19.554 1.00 54.32 H new ATOM 0 HD11 ILE A 128 -20.666 -3.080 -17.775 1.00 10.20 H new ATOM 0 HD12 ILE A 128 -19.551 -3.742 -16.556 1.00 10.20 H new ATOM 0 HD13 ILE A 128 -19.047 -2.371 -17.572 1.00 10.20 H new ATOM 2098 N LEU A 129 -15.530 -7.152 -18.202 1.00 43.50 N ATOM 2099 CA LEU A 129 -14.177 -7.629 -17.877 1.00 61.43 C ATOM 2100 C LEU A 129 -13.693 -8.717 -18.856 1.00 41.13 C ATOM 2101 O LEU A 129 -12.700 -8.540 -19.559 1.00 13.04 O ATOM 2102 CB LEU A 129 -14.148 -8.176 -16.442 1.00 1.43 C ATOM 2103 CG LEU A 129 -14.561 -7.176 -15.347 1.00 52.32 C ATOM 2104 CD1 LEU A 129 -14.487 -7.825 -13.966 1.00 25.50 C ATOM 2105 CD2 LEU A 129 -13.688 -5.924 -15.403 1.00 11.51 C ATOM 0 H LEU A 129 -16.274 -7.604 -17.670 1.00 43.50 H new ATOM 0 HA LEU A 129 -13.501 -6.779 -17.967 1.00 61.43 H new ATOM 0 HB2 LEU A 129 -14.808 -9.042 -16.388 1.00 1.43 H new ATOM 0 HB3 LEU A 129 -13.140 -8.530 -16.226 1.00 1.43 H new ATOM 0 HG LEU A 129 -15.594 -6.880 -15.528 1.00 52.32 H new ATOM 0 HD11 LEU A 129 -14.783 -7.101 -13.207 1.00 25.50 H new ATOM 0 HD12 LEU A 129 -15.159 -8.683 -13.931 1.00 25.50 H new ATOM 0 HD13 LEU A 129 -13.466 -8.155 -13.774 1.00 25.50 H new ATOM 0 HD21 LEU A 129 -13.996 -5.230 -14.621 1.00 11.51 H new ATOM 0 HD22 LEU A 129 -12.645 -6.201 -15.252 1.00 11.51 H new ATOM 0 HD23 LEU A 129 -13.799 -5.446 -16.376 1.00 11.51 H new ATOM 2117 N ALA A 130 -14.412 -9.840 -18.907 1.00 1.23 N ATOM 2118 CA ALA A 130 -13.989 -10.996 -19.712 1.00 63.23 C ATOM 2119 C ALA A 130 -14.300 -10.812 -21.207 1.00 11.23 C ATOM 2120 O ALA A 130 -13.487 -11.149 -22.068 1.00 23.34 O ATOM 2121 CB ALA A 130 -14.649 -12.267 -19.189 1.00 13.23 C ATOM 0 H ALA A 130 -15.288 -9.977 -18.403 1.00 1.23 H new ATOM 0 HA ALA A 130 -12.907 -11.080 -19.616 1.00 63.23 H new ATOM 0 HB1 ALA A 130 -14.330 -13.117 -19.792 1.00 13.23 H new ATOM 0 HB2 ALA A 130 -14.357 -12.428 -18.151 1.00 13.23 H new ATOM 0 HB3 ALA A 130 -15.733 -12.166 -19.250 1.00 13.23 H new ATOM 2272 N ASP A 140 -8.989 -1.728 -16.356 1.00 14.12 N ATOM 2273 CA ASP A 140 -8.583 -1.270 -15.029 1.00 34.34 C ATOM 2274 C ASP A 140 -8.219 -2.433 -14.093 1.00 72.04 C ATOM 2275 O ASP A 140 -7.425 -2.260 -13.164 1.00 50.31 O ATOM 2276 CB ASP A 140 -9.689 -0.401 -14.431 1.00 54.53 C ATOM 2277 CG ASP A 140 -9.804 0.922 -15.165 1.00 41.33 C ATOM 2278 OD1 ASP A 140 -10.407 0.956 -16.255 1.00 64.12 O ATOM 2279 OD2 ASP A 140 -9.252 1.929 -14.674 1.00 24.32 O ATOM 0 HA ASP A 140 -7.676 -0.675 -15.138 1.00 34.34 H new ATOM 0 HB2 ASP A 140 -10.640 -0.932 -14.482 1.00 54.53 H new ATOM 0 HB3 ASP A 140 -9.482 -0.218 -13.377 1.00 54.53 H new ATOM 2284 N LEU A 141 -8.775 -3.613 -14.347 1.00 15.43 N ATOM 2285 CA LEU A 141 -8.418 -4.806 -13.577 1.00 2.21 C ATOM 2286 C LEU A 141 -6.935 -5.157 -13.774 1.00 75.23 C ATOM 2287 O LEU A 141 -6.199 -5.366 -12.804 1.00 3.41 O ATOM 2288 CB LEU A 141 -9.307 -5.991 -13.978 1.00 25.22 C ATOM 2289 CG LEU A 141 -9.065 -7.293 -13.191 1.00 65.33 C ATOM 2290 CD1 LEU A 141 -9.275 -7.072 -11.693 1.00 54.41 C ATOM 2291 CD2 LEU A 141 -9.975 -8.407 -13.705 1.00 52.45 C ATOM 0 H LEU A 141 -9.471 -3.772 -15.075 1.00 15.43 H new ATOM 0 HA LEU A 141 -8.582 -4.592 -12.521 1.00 2.21 H new ATOM 0 HB2 LEU A 141 -10.350 -5.700 -13.854 1.00 25.22 H new ATOM 0 HB3 LEU A 141 -9.157 -6.194 -15.038 1.00 25.22 H new ATOM 0 HG LEU A 141 -8.029 -7.596 -13.345 1.00 65.33 H new ATOM 0 HD11 LEU A 141 -9.098 -8.006 -11.159 1.00 54.41 H new ATOM 0 HD12 LEU A 141 -8.579 -6.313 -11.336 1.00 54.41 H new ATOM 0 HD13 LEU A 141 -10.298 -6.740 -11.514 1.00 54.41 H new ATOM 0 HD21 LEU A 141 -9.790 -9.319 -13.137 1.00 52.45 H new ATOM 0 HD22 LEU A 141 -11.017 -8.110 -13.585 1.00 52.45 H new ATOM 0 HD23 LEU A 141 -9.768 -8.588 -14.760 1.00 52.45 H new ATOM 2303 N ASP A 142 -6.499 -5.204 -15.034 1.00 15.13 N ATOM 2304 CA ASP A 142 -5.089 -5.452 -15.356 1.00 20.12 C ATOM 2305 C ASP A 142 -4.189 -4.361 -14.762 1.00 24.05 C ATOM 2306 O ASP A 142 -3.132 -4.649 -14.193 1.00 62.05 O ATOM 2307 CB ASP A 142 -4.891 -5.514 -16.873 1.00 73.03 C ATOM 2308 CG ASP A 142 -5.681 -6.640 -17.513 1.00 41.15 C ATOM 2309 OD1 ASP A 142 -5.158 -7.772 -17.590 1.00 32.02 O ATOM 2310 OD2 ASP A 142 -6.827 -6.400 -17.941 1.00 73.11 O ATOM 0 H ASP A 142 -7.099 -5.074 -15.848 1.00 15.13 H new ATOM 0 HA ASP A 142 -4.810 -6.410 -14.918 1.00 20.12 H new ATOM 0 HB2 ASP A 142 -5.193 -4.565 -17.315 1.00 73.03 H new ATOM 0 HB3 ASP A 142 -3.832 -5.646 -17.093 1.00 73.03 H new ATOM 2315 N ARG A 143 -4.618 -3.101 -14.888 1.00 61.03 N ATOM 2316 CA ARG A 143 -3.857 -1.975 -14.336 1.00 35.22 C ATOM 2317 C ARG A 143 -3.744 -2.076 -12.805 1.00 41.11 C ATOM 2318 O ARG A 143 -2.715 -1.724 -12.230 1.00 21.23 O ATOM 2319 CB ARG A 143 -4.479 -0.630 -14.752 1.00 24.22 C ATOM 2320 CG ARG A 143 -3.731 0.587 -14.196 1.00 61.00 C ATOM 2321 CD ARG A 143 -4.028 1.867 -14.980 1.00 74.44 C ATOM 2322 NE ARG A 143 -5.449 2.217 -14.987 1.00 22.31 N ATOM 2323 CZ ARG A 143 -5.945 3.247 -15.623 1.00 52.43 C ATOM 2324 NH1 ARG A 143 -5.170 4.054 -16.282 1.00 22.43 N ATOM 2325 NH2 ARG A 143 -7.220 3.478 -15.590 1.00 42.52 N ATOM 0 H ARG A 143 -5.481 -2.836 -15.363 1.00 61.03 H new ATOM 0 HA ARG A 143 -2.850 -2.023 -14.749 1.00 35.22 H new ATOM 0 HB2 ARG A 143 -4.498 -0.569 -15.840 1.00 24.22 H new ATOM 0 HB3 ARG A 143 -5.514 -0.597 -14.412 1.00 24.22 H new ATOM 0 HG2 ARG A 143 -4.007 0.733 -13.152 1.00 61.00 H new ATOM 0 HG3 ARG A 143 -2.659 0.392 -14.219 1.00 61.00 H new ATOM 0 HD2 ARG A 143 -3.459 2.691 -14.549 1.00 74.44 H new ATOM 0 HD3 ARG A 143 -3.684 1.745 -16.007 1.00 74.44 H new ATOM 0 HE ARG A 143 -6.092 1.622 -14.464 1.00 22.31 H new ATOM 0 HH11 ARG A 143 -4.164 3.888 -16.307 1.00 22.43 H new ATOM 0 HH12 ARG A 143 -5.567 4.854 -16.774 1.00 22.43 H new ATOM 0 HH21 ARG A 143 -7.838 2.856 -15.068 1.00 42.52 H new ATOM 0 HH22 ARG A 143 -7.606 4.281 -16.086 1.00 42.52 H new ATOM 2339 N PHE A 144 -4.795 -2.569 -12.148 1.00 72.52 N ATOM 2340 CA PHE A 144 -4.753 -2.802 -10.701 1.00 23.51 C ATOM 2341 C PHE A 144 -3.678 -3.842 -10.350 1.00 32.44 C ATOM 2342 O PHE A 144 -2.848 -3.619 -9.473 1.00 42.41 O ATOM 2343 CB PHE A 144 -6.128 -3.266 -10.185 1.00 15.11 C ATOM 2344 CG PHE A 144 -6.164 -3.512 -8.691 1.00 44.31 C ATOM 2345 CD1 PHE A 144 -6.455 -2.479 -7.806 1.00 74.24 C ATOM 2346 CD2 PHE A 144 -5.897 -4.774 -8.172 1.00 74.23 C ATOM 2347 CE1 PHE A 144 -6.479 -2.703 -6.440 1.00 43.13 C ATOM 2348 CE2 PHE A 144 -5.917 -4.998 -6.808 1.00 41.23 C ATOM 2349 CZ PHE A 144 -6.207 -3.963 -5.942 1.00 3.54 C ATOM 0 H PHE A 144 -5.681 -2.814 -12.590 1.00 72.52 H new ATOM 0 HA PHE A 144 -4.498 -1.860 -10.214 1.00 23.51 H new ATOM 0 HB2 PHE A 144 -6.875 -2.514 -10.439 1.00 15.11 H new ATOM 0 HB3 PHE A 144 -6.410 -4.183 -10.703 1.00 15.11 H new ATOM 0 HD1 PHE A 144 -6.665 -1.491 -8.189 1.00 74.24 H new ATOM 0 HD2 PHE A 144 -5.671 -5.590 -8.843 1.00 74.23 H new ATOM 0 HE1 PHE A 144 -6.710 -1.893 -5.764 1.00 43.13 H new ATOM 0 HE2 PHE A 144 -5.706 -5.983 -6.420 1.00 41.23 H new ATOM 0 HZ PHE A 144 -6.221 -4.138 -4.876 1.00 3.54 H new ATOM 2359 N VAL A 145 -3.690 -4.972 -11.057 1.00 63.55 N ATOM 2360 CA VAL A 145 -2.756 -6.073 -10.785 1.00 14.21 C ATOM 2361 C VAL A 145 -1.289 -5.681 -11.047 1.00 43.14 C ATOM 2362 O VAL A 145 -0.421 -5.893 -10.194 1.00 52.52 O ATOM 2363 CB VAL A 145 -3.106 -7.327 -11.629 1.00 44.12 C ATOM 2364 CG1 VAL A 145 -2.128 -8.471 -11.350 1.00 3.34 C ATOM 2365 CG2 VAL A 145 -4.547 -7.769 -11.368 1.00 42.31 C ATOM 0 H VAL A 145 -4.337 -5.152 -11.825 1.00 63.55 H new ATOM 0 HA VAL A 145 -2.863 -6.304 -9.725 1.00 14.21 H new ATOM 0 HB VAL A 145 -3.015 -7.059 -12.682 1.00 44.12 H new ATOM 0 HG11 VAL A 145 -2.398 -9.336 -11.955 1.00 3.34 H new ATOM 0 HG12 VAL A 145 -1.116 -8.154 -11.601 1.00 3.34 H new ATOM 0 HG13 VAL A 145 -2.173 -8.739 -10.294 1.00 3.34 H new ATOM 0 HG21 VAL A 145 -4.772 -8.650 -11.970 1.00 42.31 H new ATOM 0 HG22 VAL A 145 -4.668 -8.010 -10.312 1.00 42.31 H new ATOM 0 HG23 VAL A 145 -5.229 -6.962 -11.636 1.00 42.31 H new ATOM 2375 N MET A 146 -1.013 -5.117 -12.225 1.00 10.14 N ATOM 2376 CA MET A 146 0.360 -4.741 -12.597 1.00 44.13 C ATOM 2377 C MET A 146 0.976 -3.746 -11.596 1.00 73.01 C ATOM 2378 O MET A 146 2.179 -3.773 -11.344 1.00 74.31 O ATOM 2379 CB MET A 146 0.408 -4.149 -14.015 1.00 43.04 C ATOM 2380 CG MET A 146 -0.422 -2.885 -14.195 1.00 3.51 C ATOM 2381 SD MET A 146 -0.095 -2.055 -15.764 1.00 70.33 S ATOM 2382 CE MET A 146 1.610 -1.553 -15.526 1.00 75.23 C ATOM 0 H MET A 146 -1.714 -4.910 -12.936 1.00 10.14 H new ATOM 0 HA MET A 146 0.952 -5.656 -12.574 1.00 44.13 H new ATOM 0 HB2 MET A 146 1.445 -3.928 -14.269 1.00 43.04 H new ATOM 0 HB3 MET A 146 0.060 -4.902 -14.722 1.00 43.04 H new ATOM 0 HG2 MET A 146 -1.480 -3.139 -14.137 1.00 3.51 H new ATOM 0 HG3 MET A 146 -0.213 -2.198 -13.375 1.00 3.51 H new ATOM 0 HE1 MET A 146 1.846 -0.734 -16.205 1.00 75.23 H new ATOM 0 HE2 MET A 146 1.752 -1.223 -14.497 1.00 75.23 H new ATOM 0 HE3 MET A 146 2.270 -2.396 -15.731 1.00 75.23 H new ATOM 2392 N VAL A 147 0.149 -2.867 -11.035 1.00 31.31 N ATOM 2393 CA VAL A 147 0.615 -1.906 -10.030 1.00 42.04 C ATOM 2394 C VAL A 147 0.685 -2.544 -8.633 1.00 31.22 C ATOM 2395 O VAL A 147 1.697 -2.425 -7.941 1.00 24.15 O ATOM 2396 CB VAL A 147 -0.298 -0.656 -9.984 1.00 41.42 C ATOM 2397 CG1 VAL A 147 0.160 0.319 -8.898 1.00 13.41 C ATOM 2398 CG2 VAL A 147 -0.330 0.032 -11.348 1.00 73.31 C ATOM 0 H VAL A 147 -0.844 -2.798 -11.256 1.00 31.31 H new ATOM 0 HA VAL A 147 1.619 -1.600 -10.325 1.00 42.04 H new ATOM 0 HB VAL A 147 -1.308 -0.982 -9.737 1.00 41.42 H new ATOM 0 HG11 VAL A 147 -0.498 1.188 -8.888 1.00 13.41 H new ATOM 0 HG12 VAL A 147 0.124 -0.175 -7.927 1.00 13.41 H new ATOM 0 HG13 VAL A 147 1.181 0.640 -9.104 1.00 13.41 H new ATOM 0 HG21 VAL A 147 -0.976 0.908 -11.298 1.00 73.31 H new ATOM 0 HG22 VAL A 147 0.679 0.340 -11.624 1.00 73.31 H new ATOM 0 HG23 VAL A 147 -0.715 -0.661 -12.096 1.00 73.31 H new ATOM 2408 N ALA A 148 -0.384 -3.237 -8.235 1.00 31.02 N ATOM 2409 CA ALA A 148 -0.475 -3.852 -6.900 1.00 3.11 C ATOM 2410 C ALA A 148 0.764 -4.694 -6.556 1.00 22.22 C ATOM 2411 O ALA A 148 1.270 -4.637 -5.435 1.00 32.21 O ATOM 2412 CB ALA A 148 -1.736 -4.704 -6.792 1.00 13.24 C ATOM 0 H ALA A 148 -1.206 -3.389 -8.819 1.00 31.02 H new ATOM 0 HA ALA A 148 -0.524 -3.038 -6.177 1.00 3.11 H new ATOM 0 HB1 ALA A 148 -1.789 -5.152 -5.800 1.00 13.24 H new ATOM 0 HB2 ALA A 148 -2.613 -4.078 -6.955 1.00 13.24 H new ATOM 0 HB3 ALA A 148 -1.708 -5.492 -7.544 1.00 13.24 H new ATOM 2418 N LYS A 149 1.259 -5.457 -7.531 1.00 23.33 N ATOM 2419 CA LYS A 149 2.419 -6.338 -7.318 1.00 31.13 C ATOM 2420 C LYS A 149 3.699 -5.553 -6.964 1.00 33.35 C ATOM 2421 O LYS A 149 4.560 -6.056 -6.241 1.00 72.23 O ATOM 2422 CB LYS A 149 2.668 -7.206 -8.561 1.00 61.12 C ATOM 2423 CG LYS A 149 2.966 -6.404 -9.828 1.00 32.13 C ATOM 2424 CD LYS A 149 3.289 -7.307 -11.017 1.00 51.12 C ATOM 2425 CE LYS A 149 2.125 -8.224 -11.373 1.00 2.35 C ATOM 2426 NZ LYS A 149 2.462 -9.124 -12.507 1.00 4.13 N ATOM 0 H LYS A 149 0.879 -5.486 -8.477 1.00 23.33 H new ATOM 0 HA LYS A 149 2.179 -6.975 -6.467 1.00 31.13 H new ATOM 0 HB2 LYS A 149 3.504 -7.876 -8.362 1.00 61.12 H new ATOM 0 HB3 LYS A 149 1.793 -7.832 -8.736 1.00 61.12 H new ATOM 0 HG2 LYS A 149 2.107 -5.779 -10.071 1.00 32.13 H new ATOM 0 HG3 LYS A 149 3.806 -5.734 -9.643 1.00 32.13 H new ATOM 0 HD2 LYS A 149 3.543 -6.692 -11.880 1.00 51.12 H new ATOM 0 HD3 LYS A 149 4.167 -7.910 -10.786 1.00 51.12 H new ATOM 0 HE2 LYS A 149 1.853 -8.821 -10.503 1.00 2.35 H new ATOM 0 HE3 LYS A 149 1.254 -7.622 -11.632 1.00 2.35 H new ATOM 0 HZ1 LYS A 149 1.647 -9.733 -12.721 1.00 4.13 H new ATOM 0 HZ2 LYS A 149 2.698 -8.554 -13.344 1.00 4.13 H new ATOM 0 HZ3 LYS A 149 3.278 -9.716 -12.250 1.00 4.13 H new ATOM 2440 N THR A 150 3.826 -4.326 -7.471 1.00 34.31 N ATOM 2441 CA THR A 150 5.032 -3.513 -7.223 1.00 43.23 C ATOM 2442 C THR A 150 4.819 -2.474 -6.110 1.00 10.25 C ATOM 2443 O THR A 150 5.759 -1.777 -5.724 1.00 65.01 O ATOM 2444 CB THR A 150 5.521 -2.786 -8.505 1.00 52.21 C ATOM 2445 OG1 THR A 150 6.702 -2.012 -8.222 1.00 2.32 O ATOM 2446 CG2 THR A 150 4.440 -1.874 -9.081 1.00 60.11 C ATOM 0 H THR A 150 3.121 -3.871 -8.051 1.00 34.31 H new ATOM 0 HA THR A 150 5.797 -4.220 -6.901 1.00 43.23 H new ATOM 0 HB THR A 150 5.754 -3.551 -9.246 1.00 52.21 H new ATOM 0 HG1 THR A 150 6.681 -1.712 -7.289 1.00 2.32 H new ATOM 0 HG21 THR A 150 4.818 -1.382 -9.977 1.00 60.11 H new ATOM 0 HG22 THR A 150 3.562 -2.467 -9.336 1.00 60.11 H new ATOM 0 HG23 THR A 150 4.167 -1.121 -8.342 1.00 60.11 H new ATOM 2454 N VAL A 151 3.595 -2.374 -5.587 1.00 34.12 N ATOM 2455 CA VAL A 151 3.294 -1.415 -4.511 1.00 11.14 C ATOM 2456 C VAL A 151 4.129 -1.678 -3.240 1.00 15.14 C ATOM 2457 O VAL A 151 4.724 -0.749 -2.698 1.00 3.22 O ATOM 2458 CB VAL A 151 1.785 -1.399 -4.146 1.00 4.11 C ATOM 2459 CG1 VAL A 151 1.521 -0.512 -2.929 1.00 72.20 C ATOM 2460 CG2 VAL A 151 0.954 -0.933 -5.334 1.00 54.34 C ATOM 0 H VAL A 151 2.799 -2.938 -5.885 1.00 34.12 H new ATOM 0 HA VAL A 151 3.567 -0.437 -4.906 1.00 11.14 H new ATOM 0 HB VAL A 151 1.490 -2.417 -3.891 1.00 4.11 H new ATOM 0 HG11 VAL A 151 0.456 -0.520 -2.697 1.00 72.20 H new ATOM 0 HG12 VAL A 151 2.082 -0.891 -2.074 1.00 72.20 H new ATOM 0 HG13 VAL A 151 1.837 0.508 -3.147 1.00 72.20 H new ATOM 0 HG21 VAL A 151 -0.101 -0.928 -5.060 1.00 54.34 H new ATOM 0 HG22 VAL A 151 1.260 0.074 -5.619 1.00 54.34 H new ATOM 0 HG23 VAL A 151 1.108 -1.611 -6.174 1.00 54.34 H new ATOM 2470 N PRO A 152 4.202 -2.933 -2.735 1.00 4.32 N ATOM 2471 CA PRO A 152 5.035 -3.250 -1.558 1.00 34.40 C ATOM 2472 C PRO A 152 6.515 -2.883 -1.771 1.00 60.13 C ATOM 2473 O PRO A 152 7.207 -2.476 -0.838 1.00 14.24 O ATOM 2474 CB PRO A 152 4.863 -4.768 -1.385 1.00 31.34 C ATOM 2475 CG PRO A 152 4.326 -5.256 -2.691 1.00 75.21 C ATOM 2476 CD PRO A 152 3.494 -4.130 -3.233 1.00 73.42 C ATOM 0 HA PRO A 152 4.731 -2.680 -0.680 1.00 34.40 H new ATOM 0 HB2 PRO A 152 5.813 -5.247 -1.147 1.00 31.34 H new ATOM 0 HB3 PRO A 152 4.178 -4.996 -0.568 1.00 31.34 H new ATOM 0 HG2 PRO A 152 5.134 -5.511 -3.376 1.00 75.21 H new ATOM 0 HG3 PRO A 152 3.727 -6.156 -2.556 1.00 75.21 H new ATOM 0 HD2 PRO A 152 3.447 -4.149 -4.322 1.00 73.42 H new ATOM 0 HD3 PRO A 152 2.467 -4.174 -2.869 1.00 73.42 H new ATOM 2484 N ASP A 153 6.985 -3.011 -3.011 1.00 55.14 N ATOM 2485 CA ASP A 153 8.371 -2.676 -3.354 1.00 50.30 C ATOM 2486 C ASP A 153 8.573 -1.149 -3.413 1.00 55.23 C ATOM 2487 O ASP A 153 9.600 -0.630 -2.972 1.00 14.33 O ATOM 2488 CB ASP A 153 8.748 -3.321 -4.693 1.00 13.24 C ATOM 2489 CG ASP A 153 10.179 -3.017 -5.102 1.00 60.52 C ATOM 2490 OD1 ASP A 153 11.112 -3.532 -4.453 1.00 12.51 O ATOM 2491 OD2 ASP A 153 10.378 -2.253 -6.070 1.00 71.31 O ATOM 0 H ASP A 153 6.427 -3.344 -3.797 1.00 55.14 H new ATOM 0 HA ASP A 153 9.024 -3.069 -2.575 1.00 50.30 H new ATOM 0 HB2 ASP A 153 8.615 -4.401 -4.623 1.00 13.24 H new ATOM 0 HB3 ASP A 153 8.069 -2.966 -5.468 1.00 13.24 H new ATOM 2496 N ASP A 154 7.585 -0.437 -3.956 1.00 25.41 N ATOM 2497 CA ASP A 154 7.615 1.029 -4.007 1.00 52.34 C ATOM 2498 C ASP A 154 7.529 1.608 -2.583 1.00 73.15 C ATOM 2499 O ASP A 154 8.260 2.529 -2.218 1.00 4.42 O ATOM 2500 CB ASP A 154 6.455 1.534 -4.877 1.00 53.15 C ATOM 2501 CG ASP A 154 6.599 2.994 -5.273 1.00 13.01 C ATOM 2502 OD1 ASP A 154 7.395 3.288 -6.195 1.00 11.54 O ATOM 2503 OD2 ASP A 154 5.906 3.846 -4.689 1.00 32.44 O ATOM 0 H ASP A 154 6.750 -0.852 -4.369 1.00 25.41 H new ATOM 0 HA ASP A 154 8.554 1.361 -4.451 1.00 52.34 H new ATOM 0 HB2 ASP A 154 6.392 0.924 -5.778 1.00 53.15 H new ATOM 0 HB3 ASP A 154 5.518 1.401 -4.336 1.00 53.15 H new ATOM 2508 N ALA A 155 6.647 1.023 -1.776 1.00 20.12 N ATOM 2509 CA ALA A 155 6.511 1.389 -0.363 1.00 13.23 C ATOM 2510 C ALA A 155 7.771 1.027 0.436 1.00 71.42 C ATOM 2511 O ALA A 155 8.132 1.708 1.392 1.00 24.54 O ATOM 2512 CB ALA A 155 5.293 0.701 0.242 1.00 32.44 C ATOM 0 H ALA A 155 6.009 0.286 -2.078 1.00 20.12 H new ATOM 0 HA ALA A 155 6.379 2.470 -0.309 1.00 13.23 H new ATOM 0 HB1 ALA A 155 5.202 0.980 1.292 1.00 32.44 H new ATOM 0 HB2 ALA A 155 4.396 1.010 -0.295 1.00 32.44 H new ATOM 0 HB3 ALA A 155 5.409 -0.380 0.163 1.00 32.44 H new ATOM 2518 N LYS A 156 8.439 -0.051 0.031 1.00 43.53 N ATOM 2519 CA LYS A 156 9.678 -0.494 0.681 1.00 63.23 C ATOM 2520 C LYS A 156 10.755 0.610 0.663 1.00 33.30 C ATOM 2521 O LYS A 156 11.651 0.628 1.510 1.00 54.15 O ATOM 2522 CB LYS A 156 10.186 -1.778 0.011 1.00 51.04 C ATOM 2523 CG LYS A 156 11.457 -2.359 0.626 1.00 34.43 C ATOM 2524 CD LYS A 156 11.657 -3.823 0.234 1.00 13.40 C ATOM 2525 CE LYS A 156 11.615 -4.036 -1.278 1.00 31.00 C ATOM 2526 NZ LYS A 156 12.710 -3.315 -1.979 1.00 4.24 N ATOM 0 H LYS A 156 8.144 -0.639 -0.748 1.00 43.53 H new ATOM 0 HA LYS A 156 9.461 -0.707 1.728 1.00 63.23 H new ATOM 0 HB2 LYS A 156 9.399 -2.531 0.057 1.00 51.04 H new ATOM 0 HB3 LYS A 156 10.370 -1.573 -1.044 1.00 51.04 H new ATOM 0 HG2 LYS A 156 12.318 -1.775 0.302 1.00 34.43 H new ATOM 0 HG3 LYS A 156 11.406 -2.277 1.712 1.00 34.43 H new ATOM 0 HD2 LYS A 156 12.615 -4.171 0.620 1.00 13.40 H new ATOM 0 HD3 LYS A 156 10.884 -4.430 0.705 1.00 13.40 H new ATOM 0 HE2 LYS A 156 11.687 -5.102 -1.495 1.00 31.00 H new ATOM 0 HE3 LYS A 156 10.654 -3.697 -1.664 1.00 31.00 H new ATOM 0 HZ1 LYS A 156 12.564 -3.376 -3.007 1.00 4.24 H new ATOM 0 HZ2 LYS A 156 12.710 -2.317 -1.688 1.00 4.24 H new ATOM 0 HZ3 LYS A 156 13.623 -3.747 -1.733 1.00 4.24 H new ATOM 2540 N GLN A 157 10.653 1.532 -0.297 1.00 51.34 N ATOM 2541 CA GLN A 157 11.495 2.737 -0.312 1.00 2.30 C ATOM 2542 C GLN A 157 11.270 3.563 0.966 1.00 30.21 C ATOM 2543 O GLN A 157 12.215 3.908 1.682 1.00 22.25 O ATOM 2544 CB GLN A 157 11.170 3.598 -1.542 1.00 31.05 C ATOM 2545 CG GLN A 157 11.539 2.956 -2.877 1.00 52.43 C ATOM 2546 CD GLN A 157 13.040 2.872 -3.099 1.00 22.52 C ATOM 2547 OE1 GLN A 157 13.651 3.793 -3.634 1.00 44.20 O ATOM 2548 NE2 GLN A 157 13.646 1.773 -2.698 1.00 52.13 N ATOM 0 H GLN A 157 9.997 1.470 -1.075 1.00 51.34 H new ATOM 0 HA GLN A 157 12.539 2.425 -0.357 1.00 2.30 H new ATOM 0 HB2 GLN A 157 10.103 3.821 -1.543 1.00 31.05 H new ATOM 0 HB3 GLN A 157 11.694 4.549 -1.453 1.00 31.05 H new ATOM 0 HG2 GLN A 157 11.114 1.953 -2.922 1.00 52.43 H new ATOM 0 HG3 GLN A 157 11.089 3.530 -3.687 1.00 52.43 H new ATOM 0 HE21 GLN A 157 13.109 1.026 -2.257 1.00 52.13 H new ATOM 0 HE22 GLN A 157 14.652 1.669 -2.829 1.00 52.13 H new ATOM 2557 N LEU A 158 10.000 3.857 1.246 1.00 4.14 N ATOM 2558 CA LEU A 158 9.609 4.571 2.468 1.00 2.14 C ATOM 2559 C LEU A 158 9.988 3.763 3.712 1.00 43.21 C ATOM 2560 O LEU A 158 10.608 4.286 4.638 1.00 32.51 O ATOM 2561 CB LEU A 158 8.095 4.856 2.474 1.00 23.44 C ATOM 2562 CG LEU A 158 7.626 5.988 1.543 1.00 75.51 C ATOM 2563 CD1 LEU A 158 8.271 7.312 1.945 1.00 72.13 C ATOM 2564 CD2 LEU A 158 7.922 5.663 0.078 1.00 33.22 C ATOM 0 H LEU A 158 9.217 3.611 0.640 1.00 4.14 H new ATOM 0 HA LEU A 158 10.146 5.520 2.486 1.00 2.14 H new ATOM 0 HB2 LEU A 158 7.571 3.942 2.197 1.00 23.44 H new ATOM 0 HB3 LEU A 158 7.794 5.100 3.493 1.00 23.44 H new ATOM 0 HG LEU A 158 6.545 6.083 1.648 1.00 75.51 H new ATOM 0 HD11 LEU A 158 7.928 8.102 1.276 1.00 72.13 H new ATOM 0 HD12 LEU A 158 7.991 7.557 2.969 1.00 72.13 H new ATOM 0 HD13 LEU A 158 9.355 7.224 1.877 1.00 72.13 H new ATOM 0 HD21 LEU A 158 7.578 6.483 -0.553 1.00 33.22 H new ATOM 0 HD22 LEU A 158 8.995 5.528 -0.055 1.00 33.22 H new ATOM 0 HD23 LEU A 158 7.403 4.746 -0.203 1.00 33.22 H new ATOM 2576 N THR A 159 9.622 2.485 3.711 1.00 30.21 N ATOM 2577 CA THR A 159 9.949 1.570 4.809 1.00 31.02 C ATOM 2578 C THR A 159 11.440 1.635 5.177 1.00 73.54 C ATOM 2579 O THR A 159 11.796 1.785 6.344 1.00 41.11 O ATOM 2580 CB THR A 159 9.577 0.111 4.443 1.00 70.55 C ATOM 2581 OG1 THR A 159 8.206 0.050 4.026 1.00 71.11 O ATOM 2582 CG2 THR A 159 9.789 -0.836 5.622 1.00 53.10 C ATOM 0 H THR A 159 9.093 2.052 2.954 1.00 30.21 H new ATOM 0 HA THR A 159 9.363 1.888 5.671 1.00 31.02 H new ATOM 0 HB THR A 159 10.231 -0.205 3.630 1.00 70.55 H new ATOM 0 HG1 THR A 159 8.040 -0.802 3.570 1.00 71.11 H new ATOM 0 HG21 THR A 159 9.518 -1.850 5.328 1.00 53.10 H new ATOM 0 HG22 THR A 159 10.836 -0.814 5.923 1.00 53.10 H new ATOM 0 HG23 THR A 159 9.164 -0.522 6.458 1.00 53.10 H new ATOM 2590 N THR A 160 12.309 1.547 4.170 1.00 24.55 N ATOM 2591 CA THR A 160 13.760 1.621 4.396 1.00 23.02 C ATOM 2592 C THR A 160 14.172 3.002 4.921 1.00 10.31 C ATOM 2593 O THR A 160 14.905 3.109 5.906 1.00 54.34 O ATOM 2594 CB THR A 160 14.567 1.323 3.107 1.00 33.22 C ATOM 2595 OG1 THR A 160 14.205 0.042 2.569 1.00 21.12 O ATOM 2596 CG2 THR A 160 16.068 1.344 3.386 1.00 62.34 C ATOM 0 H THR A 160 12.040 1.425 3.194 1.00 24.55 H new ATOM 0 HA THR A 160 13.989 0.859 5.141 1.00 23.02 H new ATOM 0 HB THR A 160 14.329 2.101 2.382 1.00 33.22 H new ATOM 0 HG1 THR A 160 13.323 0.102 2.146 1.00 21.12 H new ATOM 0 HG21 THR A 160 16.612 1.132 2.466 1.00 62.34 H new ATOM 0 HG22 THR A 160 16.355 2.327 3.759 1.00 62.34 H new ATOM 0 HG23 THR A 160 16.310 0.588 4.133 1.00 62.34 H new ATOM 2604 N THR A 161 13.691 4.055 4.259 1.00 53.42 N ATOM 2605 CA THR A 161 14.020 5.440 4.639 1.00 70.15 C ATOM 2606 C THR A 161 13.655 5.729 6.105 1.00 1.11 C ATOM 2607 O THR A 161 14.481 6.222 6.882 1.00 73.54 O ATOM 2608 CB THR A 161 13.298 6.466 3.724 1.00 61.11 C ATOM 2609 OG1 THR A 161 13.698 6.280 2.357 1.00 2.13 O ATOM 2610 CG2 THR A 161 13.596 7.904 4.148 1.00 0.43 C ATOM 0 H THR A 161 13.070 3.980 3.454 1.00 53.42 H new ATOM 0 HA THR A 161 15.098 5.546 4.516 1.00 70.15 H new ATOM 0 HB THR A 161 12.226 6.294 3.821 1.00 61.11 H new ATOM 0 HG1 THR A 161 13.257 5.484 1.992 1.00 2.13 H new ATOM 0 HG21 THR A 161 13.074 8.594 3.485 1.00 0.43 H new ATOM 0 HG22 THR A 161 13.258 8.059 5.173 1.00 0.43 H new ATOM 0 HG23 THR A 161 14.669 8.086 4.089 1.00 0.43 H new ATOM 2618 N ILE A 162 12.420 5.414 6.483 1.00 2.40 N ATOM 2619 CA ILE A 162 11.950 5.629 7.854 1.00 52.21 C ATOM 2620 C ILE A 162 12.745 4.784 8.864 1.00 4.20 C ATOM 2621 O ILE A 162 13.226 5.302 9.866 1.00 72.51 O ATOM 2622 CB ILE A 162 10.437 5.317 7.987 1.00 74.24 C ATOM 2623 CG1 ILE A 162 9.623 6.230 7.053 1.00 1.24 C ATOM 2624 CG2 ILE A 162 9.971 5.475 9.438 1.00 11.00 C ATOM 2625 CD1 ILE A 162 8.130 5.974 7.095 1.00 23.02 C ATOM 0 H ILE A 162 11.722 5.008 5.860 1.00 2.40 H new ATOM 0 HA ILE A 162 12.112 6.683 8.081 1.00 52.21 H new ATOM 0 HB ILE A 162 10.272 4.280 7.693 1.00 74.24 H new ATOM 0 HG12 ILE A 162 9.812 7.269 7.322 1.00 1.24 H new ATOM 0 HG13 ILE A 162 9.976 6.096 6.031 1.00 1.24 H new ATOM 0 HG21 ILE A 162 8.906 5.251 9.505 1.00 11.00 H new ATOM 0 HG22 ILE A 162 10.527 4.788 10.076 1.00 11.00 H new ATOM 0 HG23 ILE A 162 10.147 6.499 9.767 1.00 11.00 H new ATOM 0 HD11 ILE A 162 7.625 6.656 6.411 1.00 23.02 H new ATOM 0 HD12 ILE A 162 7.929 4.945 6.797 1.00 23.02 H new ATOM 0 HD13 ILE A 162 7.761 6.137 8.108 1.00 23.02 H new ATOM 2637 N ASN A 163 12.892 3.488 8.583 1.00 43.30 N ATOM 2638 CA ASN A 163 13.644 2.578 9.461 1.00 72.41 C ATOM 2639 C ASN A 163 15.086 3.065 9.710 1.00 72.44 C ATOM 2640 O ASN A 163 15.552 3.100 10.852 1.00 41.33 O ATOM 2641 CB ASN A 163 13.671 1.162 8.868 1.00 75.43 C ATOM 2642 CG ASN A 163 12.327 0.458 8.969 1.00 4.23 C ATOM 2643 OD1 ASN A 163 12.053 -0.440 8.043 1.00 22.02 O flip ATOM 2644 ND2 ASN A 163 11.546 0.709 9.875 1.00 13.12 N flip ATOM 0 H ASN A 163 12.501 3.041 7.754 1.00 43.30 H new ATOM 0 HA ASN A 163 13.128 2.564 10.421 1.00 72.41 H new ATOM 0 HB2 ASN A 163 13.970 1.216 7.821 1.00 75.43 H new ATOM 0 HB3 ASN A 163 14.426 0.570 9.385 1.00 75.43 H new ATOM 0 HD21 ASN A 163 11.787 1.409 10.577 1.00 13.12 H new ATOM 0 HD22 ASN A 163 10.653 0.218 9.930 1.00 13.12 H new ATOM 2651 N THR A 164 15.790 3.450 8.644 1.00 60.23 N ATOM 2652 CA THR A 164 17.193 3.873 8.773 1.00 42.12 C ATOM 2653 C THR A 164 17.321 5.232 9.481 1.00 71.20 C ATOM 2654 O THR A 164 18.346 5.524 10.099 1.00 4.53 O ATOM 2655 CB THR A 164 17.923 3.936 7.404 1.00 72.43 C ATOM 2656 OG1 THR A 164 19.324 4.179 7.609 1.00 21.12 O ATOM 2657 CG2 THR A 164 17.346 5.026 6.508 1.00 44.24 C ATOM 0 H THR A 164 15.422 3.479 7.693 1.00 60.23 H new ATOM 0 HA THR A 164 17.674 3.109 9.384 1.00 42.12 H new ATOM 0 HB THR A 164 17.779 2.976 6.907 1.00 72.43 H new ATOM 0 HG1 THR A 164 19.780 4.216 6.742 1.00 21.12 H new ATOM 0 HG21 THR A 164 17.883 5.039 5.559 1.00 44.24 H new ATOM 0 HG22 THR A 164 16.290 4.826 6.325 1.00 44.24 H new ATOM 0 HG23 THR A 164 17.452 5.994 6.998 1.00 44.24 H new ATOM 2665 N ASN A 165 16.278 6.060 9.394 1.00 43.14 N ATOM 2666 CA ASN A 165 16.263 7.360 10.087 1.00 11.11 C ATOM 2667 C ASN A 165 15.334 7.351 11.317 1.00 34.31 C ATOM 2668 O ASN A 165 15.066 8.401 11.902 1.00 33.44 O ATOM 2669 CB ASN A 165 15.841 8.480 9.125 1.00 43.22 C ATOM 2670 CG ASN A 165 16.851 8.704 8.015 1.00 11.24 C ATOM 2671 OD1 ASN A 165 17.819 9.437 8.181 1.00 31.41 O ATOM 2672 ND2 ASN A 165 16.634 8.090 6.870 1.00 14.23 N ATOM 0 H ASN A 165 15.435 5.860 8.855 1.00 43.14 H new ATOM 0 HA ASN A 165 17.278 7.546 10.437 1.00 11.11 H new ATOM 0 HB2 ASN A 165 14.874 8.233 8.687 1.00 43.22 H new ATOM 0 HB3 ASN A 165 15.710 9.406 9.685 1.00 43.22 H new ATOM 0 HD21 ASN A 165 17.281 8.219 6.092 1.00 14.23 H new ATOM 0 HD22 ASN A 165 15.819 7.486 6.762 1.00 14.23 H new ATOM 2679 N ALA A 166 14.879 6.167 11.725 1.00 41.13 N ATOM 2680 CA ALA A 166 13.930 6.031 12.844 1.00 72.53 C ATOM 2681 C ALA A 166 14.495 6.605 14.149 1.00 31.30 C ATOM 2682 O ALA A 166 13.779 7.244 14.920 1.00 5.10 O ATOM 2683 CB ALA A 166 13.547 4.567 13.033 1.00 1.02 C ATOM 0 H ALA A 166 15.150 5.281 11.299 1.00 41.13 H new ATOM 0 HA ALA A 166 13.040 6.608 12.592 1.00 72.53 H new ATOM 0 HB1 ALA A 166 12.845 4.479 13.863 1.00 1.02 H new ATOM 0 HB2 ALA A 166 13.081 4.192 12.122 1.00 1.02 H new ATOM 0 HB3 ALA A 166 14.441 3.982 13.250 1.00 1.02 H new ATOM 2689 N GLU A 167 15.784 6.373 14.383 1.00 14.42 N ATOM 2690 CA GLU A 167 16.475 6.905 15.564 1.00 41.55 C ATOM 2691 C GLU A 167 16.466 8.446 15.590 1.00 32.33 C ATOM 2692 O GLU A 167 16.543 9.062 16.653 1.00 41.13 O ATOM 2693 CB GLU A 167 17.922 6.395 15.601 1.00 44.23 C ATOM 2694 CG GLU A 167 18.748 6.779 14.376 1.00 33.12 C ATOM 2695 CD GLU A 167 20.203 6.350 14.494 1.00 64.31 C ATOM 2696 OE1 GLU A 167 20.946 6.969 15.285 1.00 63.32 O ATOM 2697 OE2 GLU A 167 20.607 5.385 13.806 1.00 23.53 O ATOM 0 H GLU A 167 16.378 5.817 13.768 1.00 14.42 H new ATOM 0 HA GLU A 167 15.937 6.553 16.444 1.00 41.55 H new ATOM 0 HB2 GLU A 167 18.411 6.786 16.493 1.00 44.23 H new ATOM 0 HB3 GLU A 167 17.911 5.309 15.693 1.00 44.23 H new ATOM 0 HG2 GLU A 167 18.309 6.323 13.489 1.00 33.12 H new ATOM 0 HG3 GLU A 167 18.702 7.859 14.235 1.00 33.12 H new ATOM 2704 N ALA A 168 16.380 9.058 14.408 1.00 40.04 N ATOM 2705 CA ALA A 168 16.322 10.520 14.288 1.00 61.23 C ATOM 2706 C ALA A 168 14.873 11.027 14.352 1.00 13.44 C ATOM 2707 O ALA A 168 14.588 12.053 14.970 1.00 31.53 O ATOM 2708 CB ALA A 168 16.986 10.966 12.988 1.00 23.32 C ATOM 0 H ALA A 168 16.349 8.564 13.516 1.00 40.04 H new ATOM 0 HA ALA A 168 16.863 10.952 15.130 1.00 61.23 H new ATOM 0 HB1 ALA A 168 16.938 12.052 12.909 1.00 23.32 H new ATOM 0 HB2 ALA A 168 18.029 10.648 12.984 1.00 23.32 H new ATOM 0 HB3 ALA A 168 16.467 10.517 12.141 1.00 23.32 H new ATOM 2714 N LEU A 169 13.967 10.296 13.703 1.00 53.22 N ATOM 2715 CA LEU A 169 12.537 10.627 13.704 1.00 54.14 C ATOM 2716 C LEU A 169 11.942 10.522 15.112 1.00 71.20 C ATOM 2717 O LEU A 169 11.405 11.490 15.652 1.00 0.31 O ATOM 2718 CB LEU A 169 11.781 9.683 12.756 1.00 24.34 C ATOM 2719 CG LEU A 169 12.192 9.766 11.279 1.00 11.04 C ATOM 2720 CD1 LEU A 169 11.505 8.673 10.466 1.00 74.14 C ATOM 2721 CD2 LEU A 169 11.865 11.144 10.711 1.00 44.21 C ATOM 0 H LEU A 169 14.199 9.462 13.164 1.00 53.22 H new ATOM 0 HA LEU A 169 12.431 11.657 13.362 1.00 54.14 H new ATOM 0 HB2 LEU A 169 11.926 8.659 13.099 1.00 24.34 H new ATOM 0 HB3 LEU A 169 10.715 9.897 12.832 1.00 24.34 H new ATOM 0 HG LEU A 169 13.269 9.613 11.213 1.00 11.04 H new ATOM 0 HD11 LEU A 169 11.810 8.750 9.422 1.00 74.14 H new ATOM 0 HD12 LEU A 169 11.790 7.696 10.856 1.00 74.14 H new ATOM 0 HD13 LEU A 169 10.424 8.791 10.538 1.00 74.14 H new ATOM 0 HD21 LEU A 169 12.163 11.186 9.663 1.00 44.21 H new ATOM 0 HD22 LEU A 169 10.793 11.326 10.791 1.00 44.21 H new ATOM 0 HD23 LEU A 169 12.405 11.906 11.272 1.00 44.21 H new ATOM 2733 N PHE A 170 12.043 9.335 15.700 1.00 41.33 N ATOM 2734 CA PHE A 170 11.505 9.077 17.036 1.00 62.24 C ATOM 2735 C PHE A 170 12.619 9.138 18.085 1.00 55.31 C ATOM 2736 O PHE A 170 12.782 8.236 18.905 1.00 13.41 O ATOM 2737 CB PHE A 170 10.809 7.712 17.050 1.00 53.24 C ATOM 2738 CG PHE A 170 9.785 7.578 15.952 1.00 74.20 C ATOM 2739 CD1 PHE A 170 8.620 8.330 15.984 1.00 43.20 C ATOM 2740 CD2 PHE A 170 9.998 6.724 14.879 1.00 0.32 C ATOM 2741 CE1 PHE A 170 7.684 8.227 14.972 1.00 73.02 C ATOM 2742 CE2 PHE A 170 9.064 6.620 13.863 1.00 14.42 C ATOM 2743 CZ PHE A 170 7.907 7.371 13.910 1.00 75.53 C ATOM 0 H PHE A 170 12.496 8.528 15.270 1.00 41.33 H new ATOM 0 HA PHE A 170 10.774 9.846 17.286 1.00 62.24 H new ATOM 0 HB2 PHE A 170 11.556 6.925 16.944 1.00 53.24 H new ATOM 0 HB3 PHE A 170 10.324 7.564 18.015 1.00 53.24 H new ATOM 0 HD1 PHE A 170 8.442 9.004 16.809 1.00 43.20 H new ATOM 0 HD2 PHE A 170 10.902 6.134 14.836 1.00 0.32 H new ATOM 0 HE1 PHE A 170 6.779 8.815 15.011 1.00 73.02 H new ATOM 0 HE2 PHE A 170 9.240 5.951 13.034 1.00 14.42 H new ATOM 0 HZ PHE A 170 7.177 7.290 13.118 1.00 75.53 H new ATOM 2753 N ARG A 171 13.373 10.226 18.051 1.00 2.54 N ATOM 2754 CA ARG A 171 14.515 10.421 18.951 1.00 65.14 C ATOM 2755 C ARG A 171 14.077 10.361 20.429 1.00 12.24 C ATOM 2756 O ARG A 171 13.199 11.115 20.851 1.00 13.42 O ATOM 2757 CB ARG A 171 15.176 11.774 18.653 1.00 21.14 C ATOM 2758 CG ARG A 171 16.497 12.006 19.386 1.00 45.41 C ATOM 2759 CD ARG A 171 17.602 11.081 18.881 1.00 33.04 C ATOM 2760 NE ARG A 171 18.865 11.294 19.586 1.00 32.13 N ATOM 2761 CZ ARG A 171 19.945 11.787 19.040 1.00 24.35 C ATOM 2762 NH1 ARG A 171 19.940 12.197 17.815 1.00 52.14 N ATOM 2763 NH2 ARG A 171 21.032 11.885 19.733 1.00 32.45 N ATOM 0 H ARG A 171 13.217 10.999 17.404 1.00 2.54 H new ATOM 0 HA ARG A 171 15.231 9.617 18.781 1.00 65.14 H new ATOM 0 HB2 ARG A 171 15.352 11.850 17.580 1.00 21.14 H new ATOM 0 HB3 ARG A 171 14.482 12.571 18.920 1.00 21.14 H new ATOM 0 HG2 ARG A 171 16.806 13.043 19.257 1.00 45.41 H new ATOM 0 HG3 ARG A 171 16.351 11.847 20.454 1.00 45.41 H new ATOM 0 HD2 ARG A 171 17.290 10.044 19.004 1.00 33.04 H new ATOM 0 HD3 ARG A 171 17.751 11.245 17.814 1.00 33.04 H new ATOM 0 HE ARG A 171 18.906 11.040 20.573 1.00 32.13 H new ATOM 0 HH11 ARG A 171 19.086 12.138 17.261 1.00 52.14 H new ATOM 0 HH12 ARG A 171 20.790 12.580 17.402 1.00 52.14 H new ATOM 0 HH21 ARG A 171 21.046 11.578 20.705 1.00 32.45 H new ATOM 0 HH22 ARG A 171 21.875 12.270 19.307 1.00 32.45 H new