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 123 SER OG : rot -3:sc= 0.445 USER MOD Set 1.2: A 125 SER OG : rot 71:sc= 1.18 USER MOD Set 2.1: A 30 GLN : amide:sc= 1.53 K(o=4,f=2.6) USER MOD Set 2.2: A 75 TYR OH : rot 43:sc= 0.864 USER MOD Set 2.3: A 159 THR OG1 : rot 168:sc= 1.56 USER MOD Set 3.1: A 27 GLN :FLIP amide:sc= -0.946 F(o=-6.4,f=-5.3) USER MOD Set 3.2: A 163 ASN : amide:sc= -4.39! C(o=-5.3!,f=-6.4!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.537 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0172 F(o=-0.73,f=-0.017) USER MOD Single : A 35 MET CE :methyl 149:sc= -1.53 (180deg=-2.34!) 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 -108:sc= -0.783 (180deg=-2.54!) USER MOD Single : A 54 MET CE :methyl -133:sc= 0 (180deg=-1.59) USER MOD Single : A 57 HIS : no HE2:sc= -2.4 K(o=-2.4,f=-3.1) USER MOD Single : A 59 ASN : amide:sc= -0.0518 X(o=-0.052,f=-0.31) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= -0.0388 (180deg=-0.206) USER MOD Single : A 77 HIS : no HD1:sc=-0.00488 X(o=-0.0049,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0.991 (180deg=0.858) USER MOD Single : A 85 ASN : amide:sc= 1.07 K(o=1.1,f=-7.5!) USER MOD Single : A 88 CYS SG : rot -26:sc= 0.441 USER MOD Single : A 95 HIS : no HE2:sc= -1.26 X(o=-1.3,f=-0.8) USER MOD Single : A 96 ASN : amide:sc=-0.00419 K(o=-0.0042,f=-1.3) USER MOD Single : A 97 LYS NZ :NH3+ -172:sc=-0.00431 (180deg=-0.11) USER MOD Single : A 98 MET CE :methyl -137:sc= -0.783 (180deg=-2.75!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.15) USER MOD Single : A 108 SER OG : rot 97:sc= 0.743 USER MOD Single : A 109 HIS : no HD1:sc= -7.98! C(o=-8!,f=-10!) USER MOD Single : A 110 GLN :FLIP amide:sc= -1.2 F(o=-3.8!,f=-1.2) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN :FLIP amide:sc= -0.0148 F(o=-1.2,f=-0.015) USER MOD Single : A 115 THR OG1 : rot -161:sc= -0.93 USER MOD Single : A 116 SER OG : rot 160:sc= -0.309 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 120 ASN : amide:sc= -0.0744 X(o=-0.074,f=0) USER MOD Single : A 122 CYS SG : rot -3:sc= 0.104 USER MOD Single : A 127 ASN : amide:sc=-0.00677 X(o=-0.0068,f=0) USER MOD Single : A 146 MET CE :methyl -158:sc= -0.171 (180deg=-0.73) USER MOD Single : A 149 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00512) USER MOD Single : A 150 THR OG1 : rot -25:sc= 0.437 USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= -0.0185 X(o=-0.019,f=-0.029) USER MOD Single : A 160 THR OG1 : rot 71:sc= 0.754 USER MOD Single : A 161 THR OG1 : rot 154:sc= 0.867 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 ASN : amide:sc= -0.88! X(o=-0.88!,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 215 N ARG A 14 -0.498 12.327 13.790 1.00 70.32 N ATOM 216 CA ARG A 14 0.888 11.953 14.091 1.00 51.14 C ATOM 217 C ARG A 14 0.924 10.878 15.187 1.00 11.40 C ATOM 218 O ARG A 14 0.158 10.930 16.151 1.00 4.33 O ATOM 219 CB ARG A 14 1.727 13.172 14.511 1.00 52.35 C ATOM 220 CG ARG A 14 1.251 13.861 15.785 1.00 40.32 C ATOM 221 CD ARG A 14 2.202 14.981 16.200 1.00 65.20 C ATOM 222 NE ARG A 14 3.564 14.484 16.419 1.00 13.30 N ATOM 223 CZ ARG A 14 4.414 14.999 17.267 1.00 72.35 C ATOM 224 NH1 ARG A 14 4.104 16.049 17.958 1.00 55.05 N ATOM 225 NH2 ARG A 14 5.582 14.462 17.406 1.00 35.21 N ATOM 0 HA ARG A 14 1.327 11.548 13.179 1.00 51.14 H new ATOM 0 HB2 ARG A 14 2.761 12.855 14.649 1.00 52.35 H new ATOM 0 HB3 ARG A 14 1.722 13.898 13.698 1.00 52.35 H new ATOM 0 HG2 ARG A 14 0.252 14.269 15.629 1.00 40.32 H new ATOM 0 HG3 ARG A 14 1.175 13.130 16.589 1.00 40.32 H new ATOM 0 HD2 ARG A 14 2.215 15.751 15.429 1.00 65.20 H new ATOM 0 HD3 ARG A 14 1.835 15.450 17.113 1.00 65.20 H new ATOM 0 HE ARG A 14 3.869 13.680 15.871 1.00 13.30 H new ATOM 0 HH11 ARG A 14 3.188 16.483 17.843 1.00 55.05 H new ATOM 0 HH12 ARG A 14 4.776 16.442 18.617 1.00 55.05 H new ATOM 0 HH21 ARG A 14 5.835 13.641 16.855 1.00 35.21 H new ATOM 0 HH22 ARG A 14 6.251 14.859 18.066 1.00 35.21 H new ATOM 239 N LEU A 15 1.815 9.904 15.036 1.00 53.12 N ATOM 240 CA LEU A 15 1.897 8.773 15.970 1.00 12.24 C ATOM 241 C LEU A 15 2.999 8.967 17.027 1.00 75.12 C ATOM 242 O LEU A 15 4.015 9.619 16.779 1.00 41.25 O ATOM 243 CB LEU A 15 2.093 7.456 15.187 1.00 70.43 C ATOM 244 CG LEU A 15 2.988 7.540 13.932 1.00 75.24 C ATOM 245 CD1 LEU A 15 4.443 7.812 14.292 1.00 5.15 C ATOM 246 CD2 LEU A 15 2.867 6.267 13.100 1.00 23.01 C ATOM 0 H LEU A 15 2.494 9.870 14.276 1.00 53.12 H new ATOM 0 HA LEU A 15 0.955 8.721 16.516 1.00 12.24 H new ATOM 0 HB2 LEU A 15 2.519 6.715 15.863 1.00 70.43 H new ATOM 0 HB3 LEU A 15 1.113 7.087 14.886 1.00 70.43 H new ATOM 0 HG LEU A 15 2.637 8.382 13.335 1.00 75.24 H new ATOM 0 HD11 LEU A 15 5.040 7.864 13.381 1.00 5.15 H new ATOM 0 HD12 LEU A 15 4.515 8.759 14.827 1.00 5.15 H new ATOM 0 HD13 LEU A 15 4.817 7.008 14.926 1.00 5.15 H new ATOM 0 HD21 LEU A 15 3.505 6.346 12.220 1.00 23.01 H new ATOM 0 HD22 LEU A 15 3.178 5.410 13.698 1.00 23.01 H new ATOM 0 HD23 LEU A 15 1.832 6.134 12.787 1.00 23.01 H new ATOM 258 N PHE A 16 2.780 8.399 18.214 1.00 60.24 N ATOM 259 CA PHE A 16 3.730 8.517 19.331 1.00 11.34 C ATOM 260 C PHE A 16 4.197 7.131 19.807 1.00 2.22 C ATOM 261 O PHE A 16 3.390 6.320 20.265 1.00 70.25 O ATOM 262 CB PHE A 16 3.085 9.273 20.500 1.00 64.33 C ATOM 263 CG PHE A 16 2.603 10.658 20.139 1.00 15.13 C ATOM 264 CD1 PHE A 16 3.469 11.741 20.173 1.00 44.15 C ATOM 265 CD2 PHE A 16 1.283 10.875 19.766 1.00 22.24 C ATOM 266 CE1 PHE A 16 3.029 13.009 19.843 1.00 13.12 C ATOM 267 CE2 PHE A 16 0.840 12.142 19.434 1.00 40.35 C ATOM 268 CZ PHE A 16 1.715 13.210 19.474 1.00 23.02 C ATOM 0 H PHE A 16 1.949 7.849 18.431 1.00 60.24 H new ATOM 0 HA PHE A 16 4.598 9.073 18.976 1.00 11.34 H new ATOM 0 HB2 PHE A 16 2.243 8.692 20.876 1.00 64.33 H new ATOM 0 HB3 PHE A 16 3.807 9.350 21.313 1.00 64.33 H new ATOM 0 HD1 PHE A 16 4.499 11.592 20.461 1.00 44.15 H new ATOM 0 HD2 PHE A 16 0.594 10.044 19.735 1.00 22.24 H new ATOM 0 HE1 PHE A 16 3.714 13.843 19.874 1.00 13.12 H new ATOM 0 HE2 PHE A 16 -0.189 12.296 19.144 1.00 40.35 H new ATOM 0 HZ PHE A 16 1.371 14.201 19.217 1.00 23.02 H new ATOM 278 N LEU A 17 5.499 6.867 19.704 1.00 72.42 N ATOM 279 CA LEU A 17 6.066 5.570 20.100 1.00 32.15 C ATOM 280 C LEU A 17 7.601 5.633 20.187 1.00 13.42 C ATOM 281 O LEU A 17 8.198 6.701 20.038 1.00 34.20 O ATOM 282 CB LEU A 17 5.637 4.459 19.115 1.00 42.11 C ATOM 283 CG LEU A 17 6.266 4.508 17.707 1.00 51.11 C ATOM 284 CD1 LEU A 17 5.813 3.309 16.882 1.00 74.24 C ATOM 285 CD2 LEU A 17 5.924 5.808 16.979 1.00 5.34 C ATOM 0 H LEU A 17 6.186 7.533 19.349 1.00 72.42 H new ATOM 0 HA LEU A 17 5.677 5.332 21.090 1.00 32.15 H new ATOM 0 HB2 LEU A 17 5.877 3.495 19.563 1.00 42.11 H new ATOM 0 HB3 LEU A 17 4.553 4.499 19.006 1.00 42.11 H new ATOM 0 HG LEU A 17 7.348 4.471 17.829 1.00 51.11 H new ATOM 0 HD11 LEU A 17 6.265 3.357 15.891 1.00 74.24 H new ATOM 0 HD12 LEU A 17 6.122 2.389 17.377 1.00 74.24 H new ATOM 0 HD13 LEU A 17 4.727 3.322 16.787 1.00 74.24 H new ATOM 0 HD21 LEU A 17 6.385 5.804 15.991 1.00 5.34 H new ATOM 0 HD22 LEU A 17 4.842 5.893 16.874 1.00 5.34 H new ATOM 0 HD23 LEU A 17 6.300 6.656 17.552 1.00 5.34 H new ATOM 297 N ASP A 18 8.234 4.492 20.449 1.00 40.44 N ATOM 298 CA ASP A 18 9.699 4.412 20.524 1.00 61.34 C ATOM 299 C ASP A 18 10.332 4.310 19.125 1.00 11.30 C ATOM 300 O ASP A 18 9.779 3.658 18.236 1.00 20.05 O ATOM 301 CB ASP A 18 10.110 3.197 21.360 1.00 4.02 C ATOM 302 CG ASP A 18 9.661 3.303 22.804 1.00 3.33 C ATOM 303 OD1 ASP A 18 8.442 3.218 23.062 1.00 64.02 O ATOM 304 OD2 ASP A 18 10.526 3.453 23.691 1.00 3.11 O ATOM 0 H ASP A 18 7.758 3.605 20.614 1.00 40.44 H new ATOM 0 HA ASP A 18 10.060 5.327 20.994 1.00 61.34 H new ATOM 0 HB2 ASP A 18 9.686 2.296 20.917 1.00 4.02 H new ATOM 0 HB3 ASP A 18 11.194 3.088 21.328 1.00 4.02 H new ATOM 309 N PRO A 19 11.510 4.936 18.911 1.00 20.45 N ATOM 310 CA PRO A 19 12.228 4.859 17.624 1.00 15.00 C ATOM 311 C PRO A 19 12.560 3.414 17.227 1.00 1.21 C ATOM 312 O PRO A 19 12.363 3.007 16.082 1.00 64.13 O ATOM 313 CB PRO A 19 13.515 5.669 17.871 1.00 1.40 C ATOM 314 CG PRO A 19 13.640 5.762 19.357 1.00 15.34 C ATOM 315 CD PRO A 19 12.235 5.768 19.890 1.00 31.33 C ATOM 0 HA PRO A 19 11.627 5.246 16.801 1.00 15.00 H new ATOM 0 HB2 PRO A 19 14.382 5.174 17.433 1.00 1.40 H new ATOM 0 HB3 PRO A 19 13.450 6.659 17.419 1.00 1.40 H new ATOM 0 HG2 PRO A 19 14.205 4.919 19.755 1.00 15.34 H new ATOM 0 HG3 PRO A 19 14.172 6.668 19.648 1.00 15.34 H new ATOM 0 HD2 PRO A 19 12.182 5.349 20.895 1.00 31.33 H new ATOM 0 HD3 PRO A 19 11.827 6.777 19.944 1.00 31.33 H new ATOM 323 N ASP A 20 13.059 2.644 18.190 1.00 74.44 N ATOM 324 CA ASP A 20 13.366 1.231 17.975 1.00 64.44 C ATOM 325 C ASP A 20 12.086 0.419 17.697 1.00 23.22 C ATOM 326 O ASP A 20 12.039 -0.380 16.759 1.00 51.25 O ATOM 327 CB ASP A 20 14.114 0.672 19.192 1.00 35.34 C ATOM 328 CG ASP A 20 13.385 0.949 20.494 1.00 14.45 C ATOM 329 OD1 ASP A 20 13.382 2.114 20.941 1.00 33.23 O ATOM 330 OD2 ASP A 20 12.809 0.009 21.077 1.00 0.54 O ATOM 0 H ASP A 20 13.261 2.977 19.133 1.00 74.44 H new ATOM 0 HA ASP A 20 14.005 1.144 17.096 1.00 64.44 H new ATOM 0 HB2 ASP A 20 14.244 -0.404 19.073 1.00 35.34 H new ATOM 0 HB3 ASP A 20 15.111 1.111 19.236 1.00 35.34 H new ATOM 335 N THR A 21 11.048 0.638 18.508 1.00 1.23 N ATOM 336 CA THR A 21 9.763 -0.057 18.334 1.00 53.40 C ATOM 337 C THR A 21 9.136 0.246 16.964 1.00 45.22 C ATOM 338 O THR A 21 8.535 -0.628 16.339 1.00 73.42 O ATOM 339 CB THR A 21 8.748 0.331 19.440 1.00 52.23 C ATOM 340 OG1 THR A 21 9.284 0.033 20.741 1.00 2.41 O ATOM 341 CG2 THR A 21 7.422 -0.403 19.259 1.00 44.02 C ATOM 0 H THR A 21 11.069 1.290 19.292 1.00 1.23 H new ATOM 0 HA THR A 21 9.982 -1.122 18.403 1.00 53.40 H new ATOM 0 HB THR A 21 8.567 1.403 19.357 1.00 52.23 H new ATOM 0 HG1 THR A 21 8.633 0.285 21.429 1.00 2.41 H new ATOM 0 HG21 THR A 21 6.732 -0.109 20.050 1.00 44.02 H new ATOM 0 HG22 THR A 21 6.993 -0.146 18.290 1.00 44.02 H new ATOM 0 HG23 THR A 21 7.592 -1.479 19.307 1.00 44.02 H new ATOM 349 N ALA A 22 9.279 1.484 16.496 1.00 73.41 N ATOM 350 CA ALA A 22 8.733 1.889 15.192 1.00 21.30 C ATOM 351 C ALA A 22 9.207 0.958 14.063 1.00 65.32 C ATOM 352 O ALA A 22 8.450 0.650 13.138 1.00 34.31 O ATOM 353 CB ALA A 22 9.116 3.331 14.890 1.00 24.43 C ATOM 0 H ALA A 22 9.767 2.227 16.996 1.00 73.41 H new ATOM 0 HA ALA A 22 7.647 1.811 15.245 1.00 21.30 H new ATOM 0 HB1 ALA A 22 8.707 3.621 13.922 1.00 24.43 H new ATOM 0 HB2 ALA A 22 8.714 3.984 15.664 1.00 24.43 H new ATOM 0 HB3 ALA A 22 10.202 3.422 14.867 1.00 24.43 H new ATOM 359 N ILE A 23 10.459 0.507 14.163 1.00 35.33 N ATOM 360 CA ILE A 23 11.042 -0.426 13.193 1.00 44.14 C ATOM 361 C ILE A 23 10.210 -1.713 13.071 1.00 70.32 C ATOM 362 O ILE A 23 9.787 -2.083 11.972 1.00 44.14 O ATOM 363 CB ILE A 23 12.506 -0.779 13.579 1.00 70.21 C ATOM 364 CG1 ILE A 23 13.368 0.498 13.605 1.00 31.32 C ATOM 365 CG2 ILE A 23 13.091 -1.810 12.613 1.00 23.21 C ATOM 366 CD1 ILE A 23 14.803 0.268 14.036 1.00 3.13 C ATOM 0 H ILE A 23 11.095 0.775 14.914 1.00 35.33 H new ATOM 0 HA ILE A 23 11.038 0.074 12.224 1.00 44.14 H new ATOM 0 HB ILE A 23 12.506 -1.220 14.576 1.00 70.21 H new ATOM 0 HG12 ILE A 23 13.366 0.945 12.611 1.00 31.32 H new ATOM 0 HG13 ILE A 23 12.908 1.220 14.280 1.00 31.32 H new ATOM 0 HG21 ILE A 23 14.116 -2.041 12.904 1.00 23.21 H new ATOM 0 HG22 ILE A 23 12.491 -2.720 12.645 1.00 23.21 H new ATOM 0 HG23 ILE A 23 13.083 -1.406 11.601 1.00 23.21 H new ATOM 0 HD11 ILE A 23 15.342 1.216 14.028 1.00 3.13 H new ATOM 0 HD12 ILE A 23 14.818 -0.149 15.043 1.00 3.13 H new ATOM 0 HD13 ILE A 23 15.283 -0.428 13.348 1.00 3.13 H new ATOM 378 N GLU A 24 9.959 -2.386 14.199 1.00 51.33 N ATOM 379 CA GLU A 24 9.172 -3.625 14.185 1.00 52.21 C ATOM 380 C GLU A 24 7.730 -3.349 13.722 1.00 61.01 C ATOM 381 O GLU A 24 7.162 -4.114 12.947 1.00 1.45 O ATOM 382 CB GLU A 24 9.168 -4.306 15.570 1.00 11.23 C ATOM 383 CG GLU A 24 8.329 -3.592 16.632 1.00 54.11 C ATOM 384 CD GLU A 24 8.216 -4.380 17.930 1.00 21.21 C ATOM 385 OE1 GLU A 24 7.792 -5.553 17.879 1.00 2.13 O ATOM 386 OE2 GLU A 24 8.528 -3.826 19.007 1.00 73.31 O ATOM 0 H GLU A 24 10.284 -2.099 15.122 1.00 51.33 H new ATOM 0 HA GLU A 24 9.643 -4.306 13.476 1.00 52.21 H new ATOM 0 HB2 GLU A 24 8.797 -5.325 15.458 1.00 11.23 H new ATOM 0 HB3 GLU A 24 10.195 -4.379 15.927 1.00 11.23 H new ATOM 0 HG2 GLU A 24 8.771 -2.618 16.842 1.00 54.11 H new ATOM 0 HG3 GLU A 24 7.330 -3.410 16.236 1.00 54.11 H new ATOM 393 N ARG A 25 7.158 -2.233 14.186 1.00 53.02 N ATOM 394 CA ARG A 25 5.794 -1.835 13.807 1.00 62.14 C ATOM 395 C ARG A 25 5.633 -1.769 12.280 1.00 1.53 C ATOM 396 O ARG A 25 4.778 -2.443 11.697 1.00 14.52 O ATOM 397 CB ARG A 25 5.460 -0.453 14.391 1.00 30.11 C ATOM 398 CG ARG A 25 5.531 -0.353 15.913 1.00 3.30 C ATOM 399 CD ARG A 25 4.251 -0.825 16.599 1.00 51.24 C ATOM 400 NE ARG A 25 4.037 -2.269 16.477 1.00 24.04 N ATOM 401 CZ ARG A 25 4.365 -3.140 17.399 1.00 55.43 C ATOM 402 NH1 ARG A 25 4.950 -2.765 18.491 1.00 23.35 N ATOM 403 NH2 ARG A 25 4.088 -4.388 17.233 1.00 21.51 N ATOM 0 H ARG A 25 7.618 -1.586 14.827 1.00 53.02 H new ATOM 0 HA ARG A 25 5.115 -2.588 14.206 1.00 62.14 H new ATOM 0 HB2 ARG A 25 6.145 0.279 13.963 1.00 30.11 H new ATOM 0 HB3 ARG A 25 4.456 -0.175 14.072 1.00 30.11 H new ATOM 0 HG2 ARG A 25 6.371 -0.948 16.273 1.00 3.30 H new ATOM 0 HG3 ARG A 25 5.729 0.681 16.195 1.00 3.30 H new ATOM 0 HD2 ARG A 25 4.291 -0.557 17.655 1.00 51.24 H new ATOM 0 HD3 ARG A 25 3.399 -0.299 16.168 1.00 51.24 H new ATOM 0 HE ARG A 25 3.606 -2.618 15.621 1.00 24.04 H new ATOM 0 HH11 ARG A 25 5.162 -1.779 18.643 1.00 23.35 H new ATOM 0 HH12 ARG A 25 5.199 -3.456 19.199 1.00 23.35 H new ATOM 0 HH21 ARG A 25 3.614 -4.697 16.384 1.00 21.51 H new ATOM 0 HH22 ARG A 25 4.343 -5.067 17.950 1.00 21.51 H new ATOM 417 N LEU A 26 6.467 -0.948 11.646 1.00 70.43 N ATOM 418 CA LEU A 26 6.394 -0.722 10.202 1.00 11.32 C ATOM 419 C LEU A 26 6.692 -2.010 9.416 1.00 74.11 C ATOM 420 O LEU A 26 6.090 -2.270 8.372 1.00 32.52 O ATOM 421 CB LEU A 26 7.368 0.396 9.806 1.00 13.15 C ATOM 422 CG LEU A 26 7.232 0.920 8.366 1.00 13.21 C ATOM 423 CD1 LEU A 26 5.814 1.425 8.109 1.00 54.12 C ATOM 424 CD2 LEU A 26 8.252 2.023 8.102 1.00 0.33 C ATOM 0 H LEU A 26 7.207 -0.424 12.113 1.00 70.43 H new ATOM 0 HA LEU A 26 5.378 -0.417 9.950 1.00 11.32 H new ATOM 0 HB2 LEU A 26 7.231 1.232 10.492 1.00 13.15 H new ATOM 0 HB3 LEU A 26 8.386 0.032 9.946 1.00 13.15 H new ATOM 0 HG LEU A 26 7.430 0.097 7.680 1.00 13.21 H new ATOM 0 HD11 LEU A 26 5.738 1.791 7.085 1.00 54.12 H new ATOM 0 HD12 LEU A 26 5.105 0.610 8.256 1.00 54.12 H new ATOM 0 HD13 LEU A 26 5.585 2.235 8.802 1.00 54.12 H new ATOM 0 HD21 LEU A 26 8.142 2.383 7.079 1.00 0.33 H new ATOM 0 HD22 LEU A 26 8.085 2.847 8.796 1.00 0.33 H new ATOM 0 HD23 LEU A 26 9.259 1.629 8.242 1.00 0.33 H new ATOM 436 N GLN A 27 7.608 -2.828 9.938 1.00 55.03 N ATOM 437 CA GLN A 27 7.941 -4.111 9.309 1.00 64.22 C ATOM 438 C GLN A 27 6.746 -5.077 9.342 1.00 71.51 C ATOM 439 O GLN A 27 6.526 -5.837 8.399 1.00 53.15 O ATOM 440 CB GLN A 27 9.166 -4.743 9.989 1.00 50.25 C ATOM 441 CG GLN A 27 10.480 -4.029 9.674 1.00 0.04 C ATOM 442 CD GLN A 27 10.876 -4.140 8.207 1.00 52.42 C ATOM 443 OE1 GLN A 27 11.590 -3.151 7.707 1.00 52.53 O flip ATOM 444 NE2 GLN A 27 10.549 -5.111 7.528 1.00 24.55 N flip ATOM 0 H GLN A 27 8.131 -2.628 10.790 1.00 55.03 H new ATOM 0 HA GLN A 27 8.184 -3.918 8.264 1.00 64.22 H new ATOM 0 HB2 GLN A 27 9.012 -4.742 11.068 1.00 50.25 H new ATOM 0 HB3 GLN A 27 9.245 -5.785 9.679 1.00 50.25 H new ATOM 0 HG2 GLN A 27 10.390 -2.976 9.942 1.00 0.04 H new ATOM 0 HG3 GLN A 27 11.273 -4.449 10.292 1.00 0.04 H new ATOM 0 HE21 GLN A 27 9.996 -5.861 7.943 1.00 24.55 H new ATOM 0 HE22 GLN A 27 10.831 -5.167 6.549 1.00 24.55 H new ATOM 453 N ARG A 28 5.969 -5.038 10.428 1.00 34.52 N ATOM 454 CA ARG A 28 4.755 -5.860 10.533 1.00 24.15 C ATOM 455 C ARG A 28 3.717 -5.444 9.480 1.00 14.31 C ATOM 456 O ARG A 28 3.102 -6.291 8.831 1.00 34.35 O ATOM 457 CB ARG A 28 4.146 -5.763 11.942 1.00 13.25 C ATOM 458 CG ARG A 28 5.068 -6.277 13.044 1.00 23.45 C ATOM 459 CD ARG A 28 4.352 -6.398 14.386 1.00 50.44 C ATOM 460 NE ARG A 28 5.204 -7.006 15.407 1.00 43.13 N ATOM 461 CZ ARG A 28 4.793 -7.365 16.593 1.00 20.32 C ATOM 462 NH1 ARG A 28 3.565 -7.177 16.963 1.00 63.53 N ATOM 463 NH2 ARG A 28 5.623 -7.913 17.415 1.00 14.31 N ATOM 0 H ARG A 28 6.155 -4.452 11.242 1.00 34.52 H new ATOM 0 HA ARG A 28 5.040 -6.896 10.348 1.00 24.15 H new ATOM 0 HB2 ARG A 28 3.892 -4.723 12.148 1.00 13.25 H new ATOM 0 HB3 ARG A 28 3.215 -6.329 11.966 1.00 13.25 H new ATOM 0 HG2 ARG A 28 5.466 -7.251 12.758 1.00 23.45 H new ATOM 0 HG3 ARG A 28 5.918 -5.603 13.147 1.00 23.45 H new ATOM 0 HD2 ARG A 28 4.036 -5.409 14.719 1.00 50.44 H new ATOM 0 HD3 ARG A 28 3.449 -6.997 14.263 1.00 50.44 H new ATOM 0 HE ARG A 28 6.186 -7.160 15.177 1.00 43.13 H new ATOM 0 HH11 ARG A 28 2.901 -6.742 16.323 1.00 63.53 H new ATOM 0 HH12 ARG A 28 3.263 -7.464 17.894 1.00 63.53 H new ATOM 0 HH21 ARG A 28 6.593 -8.063 17.136 1.00 14.31 H new ATOM 0 HH22 ARG A 28 5.309 -8.196 18.343 1.00 14.31 H new ATOM 477 N LEU A 29 3.535 -4.136 9.309 1.00 64.04 N ATOM 478 CA LEU A 29 2.630 -3.610 8.280 1.00 64.04 C ATOM 479 C LEU A 29 3.098 -4.012 6.873 1.00 3.10 C ATOM 480 O LEU A 29 2.286 -4.366 6.018 1.00 14.53 O ATOM 481 CB LEU A 29 2.519 -2.085 8.392 1.00 10.14 C ATOM 482 CG LEU A 29 1.791 -1.578 9.647 1.00 70.32 C ATOM 483 CD1 LEU A 29 1.846 -0.057 9.725 1.00 1.02 C ATOM 484 CD2 LEU A 29 0.341 -2.064 9.662 1.00 25.15 C ATOM 0 H LEU A 29 4.000 -3.419 9.867 1.00 64.04 H new ATOM 0 HA LEU A 29 1.644 -4.045 8.445 1.00 64.04 H new ATOM 0 HB2 LEU A 29 3.523 -1.660 8.376 1.00 10.14 H new ATOM 0 HB3 LEU A 29 1.999 -1.708 7.511 1.00 10.14 H new ATOM 0 HG LEU A 29 2.299 -1.984 10.522 1.00 70.32 H new ATOM 0 HD11 LEU A 29 1.325 0.280 10.621 1.00 1.02 H new ATOM 0 HD12 LEU A 29 2.886 0.268 9.766 1.00 1.02 H new ATOM 0 HD13 LEU A 29 1.367 0.370 8.844 1.00 1.02 H new ATOM 0 HD21 LEU A 29 -0.157 -1.695 10.558 1.00 25.15 H new ATOM 0 HD22 LEU A 29 -0.177 -1.691 8.779 1.00 25.15 H new ATOM 0 HD23 LEU A 29 0.323 -3.154 9.660 1.00 25.15 H new ATOM 496 N GLN A 30 4.412 -3.960 6.642 1.00 22.03 N ATOM 497 CA GLN A 30 4.986 -4.436 5.380 1.00 1.32 C ATOM 498 C GLN A 30 4.617 -5.908 5.137 1.00 3.30 C ATOM 499 O GLN A 30 4.087 -6.257 4.086 1.00 74.32 O ATOM 500 CB GLN A 30 6.515 -4.281 5.382 1.00 34.10 C ATOM 501 CG GLN A 30 7.190 -4.824 4.119 1.00 72.55 C ATOM 502 CD GLN A 30 6.887 -4.000 2.875 1.00 2.40 C ATOM 503 OE1 GLN A 30 6.734 -2.785 2.942 1.00 40.20 O ATOM 504 NE2 GLN A 30 6.765 -4.656 1.737 1.00 11.42 N ATOM 0 H GLN A 30 5.095 -3.596 7.307 1.00 22.03 H new ATOM 0 HA GLN A 30 4.571 -3.828 4.576 1.00 1.32 H new ATOM 0 HB2 GLN A 30 6.764 -3.226 5.491 1.00 34.10 H new ATOM 0 HB3 GLN A 30 6.923 -4.797 6.252 1.00 34.10 H new ATOM 0 HG2 GLN A 30 8.268 -4.852 4.275 1.00 72.55 H new ATOM 0 HG3 GLN A 30 6.865 -5.851 3.954 1.00 72.55 H new ATOM 0 HE21 GLN A 30 6.898 -5.667 1.714 1.00 11.42 H new ATOM 0 HE22 GLN A 30 6.537 -4.152 0.880 1.00 11.42 H new ATOM 513 N GLN A 31 4.887 -6.758 6.128 1.00 10.12 N ATOM 514 CA GLN A 31 4.583 -8.193 6.029 1.00 52.20 C ATOM 515 C GLN A 31 3.084 -8.445 5.786 1.00 62.53 C ATOM 516 O GLN A 31 2.710 -9.337 5.021 1.00 24.04 O ATOM 517 CB GLN A 31 5.039 -8.922 7.300 1.00 43.44 C ATOM 518 CG GLN A 31 6.542 -8.829 7.565 1.00 43.34 C ATOM 519 CD GLN A 31 7.396 -9.507 6.500 1.00 1.12 C ATOM 520 OE1 GLN A 31 6.909 -10.597 5.938 1.00 12.25 O flip ATOM 521 NE2 GLN A 31 8.507 -9.070 6.210 1.00 32.54 N flip ATOM 0 H GLN A 31 5.316 -6.481 7.011 1.00 10.12 H new ATOM 0 HA GLN A 31 5.129 -8.585 5.171 1.00 52.20 H new ATOM 0 HB2 GLN A 31 4.504 -8.509 8.155 1.00 43.44 H new ATOM 0 HB3 GLN A 31 4.758 -9.972 7.225 1.00 43.44 H new ATOM 0 HG2 GLN A 31 6.826 -7.779 7.631 1.00 43.34 H new ATOM 0 HG3 GLN A 31 6.760 -9.279 8.533 1.00 43.34 H new ATOM 0 HE21 GLN A 31 8.856 -8.225 6.662 1.00 32.54 H new ATOM 0 HE22 GLN A 31 9.080 -9.552 5.518 1.00 32.54 H new ATOM 530 N ALA A 32 2.230 -7.660 6.443 1.00 63.52 N ATOM 531 CA ALA A 32 0.780 -7.749 6.233 1.00 30.41 C ATOM 532 C ALA A 32 0.405 -7.383 4.790 1.00 45.51 C ATOM 533 O ALA A 32 -0.426 -8.044 4.159 1.00 32.33 O ATOM 534 CB ALA A 32 0.043 -6.848 7.222 1.00 0.04 C ATOM 0 H ALA A 32 2.514 -6.956 7.124 1.00 63.52 H new ATOM 0 HA ALA A 32 0.477 -8.781 6.407 1.00 30.41 H new ATOM 0 HB1 ALA A 32 -1.031 -6.925 7.054 1.00 0.04 H new ATOM 0 HB2 ALA A 32 0.274 -7.160 8.240 1.00 0.04 H new ATOM 0 HB3 ALA A 32 0.360 -5.815 7.079 1.00 0.04 H new ATOM 540 N LEU A 33 1.033 -6.326 4.275 1.00 52.13 N ATOM 541 CA LEU A 33 0.859 -5.916 2.878 1.00 34.25 C ATOM 542 C LEU A 33 1.325 -7.030 1.925 1.00 22.30 C ATOM 543 O LEU A 33 0.663 -7.331 0.930 1.00 3.23 O ATOM 544 CB LEU A 33 1.645 -4.622 2.616 1.00 44.42 C ATOM 545 CG LEU A 33 1.519 -4.034 1.202 1.00 55.41 C ATOM 546 CD1 LEU A 33 0.076 -3.633 0.899 1.00 72.14 C ATOM 547 CD2 LEU A 33 2.458 -2.842 1.040 1.00 50.51 C ATOM 0 H LEU A 33 1.671 -5.734 4.807 1.00 52.13 H new ATOM 0 HA LEU A 33 -0.199 -5.733 2.693 1.00 34.25 H new ATOM 0 HB2 LEU A 33 1.316 -3.869 3.332 1.00 44.42 H new ATOM 0 HB3 LEU A 33 2.699 -4.813 2.816 1.00 44.42 H new ATOM 0 HG LEU A 33 1.807 -4.803 0.485 1.00 55.41 H new ATOM 0 HD11 LEU A 33 0.017 -3.220 -0.108 1.00 72.14 H new ATOM 0 HD12 LEU A 33 -0.568 -4.510 0.970 1.00 72.14 H new ATOM 0 HD13 LEU A 33 -0.252 -2.883 1.618 1.00 72.14 H new ATOM 0 HD21 LEU A 33 2.359 -2.435 0.034 1.00 50.51 H new ATOM 0 HD22 LEU A 33 2.200 -2.074 1.769 1.00 50.51 H new ATOM 0 HD23 LEU A 33 3.487 -3.165 1.201 1.00 50.51 H new ATOM 559 N GLU A 34 2.467 -7.640 2.252 1.00 12.31 N ATOM 560 CA GLU A 34 2.987 -8.801 1.517 1.00 62.33 C ATOM 561 C GLU A 34 1.913 -9.896 1.384 1.00 4.22 C ATOM 562 O GLU A 34 1.700 -10.452 0.304 1.00 51.12 O ATOM 563 CB GLU A 34 4.216 -9.378 2.244 1.00 34.53 C ATOM 564 CG GLU A 34 5.424 -8.443 2.321 1.00 53.14 C ATOM 565 CD GLU A 34 6.194 -8.335 1.013 1.00 71.11 C ATOM 566 OE1 GLU A 34 6.607 -9.389 0.479 1.00 4.42 O ATOM 567 OE2 GLU A 34 6.412 -7.205 0.527 1.00 31.30 O ATOM 0 H GLU A 34 3.057 -7.346 3.030 1.00 12.31 H new ATOM 0 HA GLU A 34 3.273 -8.468 0.519 1.00 62.33 H new ATOM 0 HB2 GLU A 34 3.923 -9.652 3.258 1.00 34.53 H new ATOM 0 HB3 GLU A 34 4.519 -10.296 1.740 1.00 34.53 H new ATOM 0 HG2 GLU A 34 5.086 -7.450 2.617 1.00 53.14 H new ATOM 0 HG3 GLU A 34 6.098 -8.797 3.102 1.00 53.14 H new ATOM 574 N MET A 35 1.230 -10.195 2.495 1.00 13.12 N ATOM 575 CA MET A 35 0.158 -11.201 2.504 1.00 41.32 C ATOM 576 C MET A 35 -1.015 -10.784 1.600 1.00 55.14 C ATOM 577 O MET A 35 -1.527 -11.592 0.820 1.00 14.01 O ATOM 578 CB MET A 35 -0.357 -11.442 3.931 1.00 44.41 C ATOM 579 CG MET A 35 0.701 -11.951 4.900 1.00 23.45 C ATOM 580 SD MET A 35 -0.012 -12.563 6.443 1.00 73.23 S ATOM 581 CE MET A 35 -0.804 -11.085 7.075 1.00 23.32 C ATOM 0 H MET A 35 1.399 -9.756 3.400 1.00 13.12 H new ATOM 0 HA MET A 35 0.585 -12.126 2.116 1.00 41.32 H new ATOM 0 HB2 MET A 35 -0.770 -10.510 4.318 1.00 44.41 H new ATOM 0 HB3 MET A 35 -1.175 -12.162 3.893 1.00 44.41 H new ATOM 0 HG2 MET A 35 1.270 -12.750 4.425 1.00 23.45 H new ATOM 0 HG3 MET A 35 1.403 -11.147 5.121 1.00 23.45 H new ATOM 0 HE1 MET A 35 -1.686 -11.363 7.652 1.00 23.32 H new ATOM 0 HE2 MET A 35 -0.107 -10.544 7.716 1.00 23.32 H new ATOM 0 HE3 MET A 35 -1.101 -10.447 6.243 1.00 23.32 H new ATOM 591 N GLY A 36 -1.436 -9.523 1.712 1.00 24.14 N ATOM 592 CA GLY A 36 -2.529 -9.017 0.885 1.00 4.02 C ATOM 593 C GLY A 36 -2.242 -9.127 -0.608 1.00 43.02 C ATOM 594 O GLY A 36 -3.072 -9.611 -1.380 1.00 73.53 O ATOM 0 H GLY A 36 -1.041 -8.841 2.360 1.00 24.14 H new ATOM 0 HA2 GLY A 36 -3.439 -9.570 1.117 1.00 4.02 H new ATOM 0 HA3 GLY A 36 -2.717 -7.974 1.138 1.00 4.02 H new ATOM 598 N VAL A 37 -1.056 -8.684 -1.010 1.00 63.43 N ATOM 599 CA VAL A 37 -0.631 -8.779 -2.407 1.00 12.22 C ATOM 600 C VAL A 37 -0.470 -10.247 -2.835 1.00 4.43 C ATOM 601 O VAL A 37 -0.816 -10.616 -3.957 1.00 34.24 O ATOM 602 CB VAL A 37 0.698 -8.017 -2.640 1.00 42.24 C ATOM 603 CG1 VAL A 37 1.121 -8.081 -4.109 1.00 50.54 C ATOM 604 CG2 VAL A 37 0.569 -6.565 -2.172 1.00 63.42 C ATOM 0 H VAL A 37 -0.369 -8.255 -0.390 1.00 63.43 H new ATOM 0 HA VAL A 37 -1.409 -8.318 -3.016 1.00 12.22 H new ATOM 0 HB VAL A 37 1.476 -8.502 -2.051 1.00 42.24 H new ATOM 0 HG11 VAL A 37 2.057 -7.538 -4.242 1.00 50.54 H new ATOM 0 HG12 VAL A 37 1.261 -9.121 -4.402 1.00 50.54 H new ATOM 0 HG13 VAL A 37 0.348 -7.629 -4.730 1.00 50.54 H new ATOM 0 HG21 VAL A 37 1.511 -6.043 -2.342 1.00 63.42 H new ATOM 0 HG22 VAL A 37 -0.226 -6.072 -2.731 1.00 63.42 H new ATOM 0 HG23 VAL A 37 0.330 -6.545 -1.109 1.00 63.42 H new ATOM 614 N SER A 38 0.045 -11.083 -1.928 1.00 3.31 N ATOM 615 CA SER A 38 0.179 -12.529 -2.184 1.00 53.31 C ATOM 616 C SER A 38 -1.176 -13.160 -2.540 1.00 43.12 C ATOM 617 O SER A 38 -1.281 -13.945 -3.485 1.00 75.00 O ATOM 618 CB SER A 38 0.775 -13.242 -0.960 1.00 43.24 C ATOM 619 OG SER A 38 0.801 -14.654 -1.139 1.00 44.20 O ATOM 0 H SER A 38 0.377 -10.788 -1.010 1.00 3.31 H new ATOM 0 HA SER A 38 0.852 -12.651 -3.033 1.00 53.31 H new ATOM 0 HB2 SER A 38 1.787 -12.878 -0.783 1.00 43.24 H new ATOM 0 HB3 SER A 38 0.189 -12.997 -0.074 1.00 43.24 H new ATOM 0 HG SER A 38 1.187 -15.077 -0.344 1.00 44.20 H new ATOM 625 N SER A 39 -2.210 -12.800 -1.779 1.00 14.12 N ATOM 626 CA SER A 39 -3.582 -13.258 -2.054 1.00 3.45 C ATOM 627 C SER A 39 -3.997 -12.920 -3.493 1.00 32.22 C ATOM 628 O SER A 39 -4.494 -13.776 -4.230 1.00 71.54 O ATOM 629 CB SER A 39 -4.570 -12.614 -1.067 1.00 1.44 C ATOM 630 OG SER A 39 -5.906 -13.011 -1.334 1.00 23.34 O ATOM 0 H SER A 39 -2.128 -12.191 -0.965 1.00 14.12 H new ATOM 0 HA SER A 39 -3.604 -14.341 -1.930 1.00 3.45 H new ATOM 0 HB2 SER A 39 -4.303 -12.895 -0.048 1.00 1.44 H new ATOM 0 HB3 SER A 39 -4.493 -11.529 -1.129 1.00 1.44 H new ATOM 0 HG SER A 39 -6.509 -12.586 -0.689 1.00 23.34 H new ATOM 636 N LEU A 40 -3.769 -11.670 -3.889 1.00 53.13 N ATOM 637 CA LEU A 40 -4.079 -11.219 -5.251 1.00 64.34 C ATOM 638 C LEU A 40 -3.264 -11.998 -6.297 1.00 35.43 C ATOM 639 O LEU A 40 -3.814 -12.502 -7.275 1.00 54.10 O ATOM 640 CB LEU A 40 -3.806 -9.714 -5.388 1.00 22.24 C ATOM 641 CG LEU A 40 -4.176 -9.096 -6.749 1.00 2.14 C ATOM 642 CD1 LEU A 40 -5.683 -9.178 -6.993 1.00 12.11 C ATOM 643 CD2 LEU A 40 -3.690 -7.652 -6.833 1.00 43.44 C ATOM 0 H LEU A 40 -3.371 -10.948 -3.289 1.00 53.13 H new ATOM 0 HA LEU A 40 -5.136 -11.410 -5.433 1.00 64.34 H new ATOM 0 HB2 LEU A 40 -4.358 -9.190 -4.608 1.00 22.24 H new ATOM 0 HB3 LEU A 40 -2.747 -9.536 -5.203 1.00 22.24 H new ATOM 0 HG LEU A 40 -3.678 -9.670 -7.530 1.00 2.14 H new ATOM 0 HD11 LEU A 40 -5.920 -8.735 -7.960 1.00 12.11 H new ATOM 0 HD12 LEU A 40 -5.997 -10.222 -6.985 1.00 12.11 H new ATOM 0 HD13 LEU A 40 -6.209 -8.635 -6.207 1.00 12.11 H new ATOM 0 HD21 LEU A 40 -3.961 -7.233 -7.802 1.00 43.44 H new ATOM 0 HD22 LEU A 40 -4.155 -7.065 -6.041 1.00 43.44 H new ATOM 0 HD23 LEU A 40 -2.607 -7.625 -6.716 1.00 43.44 H new ATOM 655 N MET A 41 -1.953 -12.110 -6.072 1.00 54.10 N ATOM 656 CA MET A 41 -1.054 -12.812 -7.001 1.00 40.33 C ATOM 657 C MET A 41 -1.470 -14.281 -7.208 1.00 65.01 C ATOM 658 O MET A 41 -1.158 -14.885 -8.235 1.00 35.02 O ATOM 659 CB MET A 41 0.394 -12.746 -6.496 1.00 42.22 C ATOM 660 CG MET A 41 0.975 -11.334 -6.397 1.00 61.15 C ATOM 661 SD MET A 41 1.151 -10.502 -7.995 1.00 10.34 S ATOM 662 CE MET A 41 -0.469 -9.765 -8.219 1.00 24.24 C ATOM 0 H MET A 41 -1.486 -11.723 -5.252 1.00 54.10 H new ATOM 0 HA MET A 41 -1.127 -12.307 -7.964 1.00 40.33 H new ATOM 0 HB2 MET A 41 0.443 -13.214 -5.513 1.00 42.22 H new ATOM 0 HB3 MET A 41 1.023 -13.337 -7.161 1.00 42.22 H new ATOM 0 HG2 MET A 41 0.334 -10.732 -5.753 1.00 61.15 H new ATOM 0 HG3 MET A 41 1.952 -11.386 -5.916 1.00 61.15 H new ATOM 0 HE1 MET A 41 -1.009 -10.304 -8.997 1.00 24.24 H new ATOM 0 HE2 MET A 41 -1.027 -9.822 -7.284 1.00 24.24 H new ATOM 0 HE3 MET A 41 -0.356 -8.721 -8.511 1.00 24.24 H new ATOM 672 N ALA A 42 -2.168 -14.849 -6.228 1.00 43.33 N ATOM 673 CA ALA A 42 -2.702 -16.212 -6.344 1.00 41.31 C ATOM 674 C ALA A 42 -4.041 -16.232 -7.101 1.00 15.53 C ATOM 675 O ALA A 42 -4.389 -17.220 -7.748 1.00 61.14 O ATOM 676 CB ALA A 42 -2.868 -16.833 -4.959 1.00 34.23 C ATOM 0 H ALA A 42 -2.380 -14.390 -5.342 1.00 43.33 H new ATOM 0 HA ALA A 42 -1.987 -16.802 -6.917 1.00 41.31 H new ATOM 0 HB1 ALA A 42 -3.265 -17.843 -5.058 1.00 34.23 H new ATOM 0 HB2 ALA A 42 -1.900 -16.871 -4.459 1.00 34.23 H new ATOM 0 HB3 ALA A 42 -3.558 -16.229 -4.370 1.00 34.23 H new ATOM 682 N LEU A 43 -4.781 -15.128 -7.029 1.00 74.31 N ATOM 683 CA LEU A 43 -6.117 -15.038 -7.635 1.00 53.54 C ATOM 684 C LEU A 43 -6.102 -14.418 -9.042 1.00 61.53 C ATOM 685 O LEU A 43 -7.116 -14.440 -9.748 1.00 1.04 O ATOM 686 CB LEU A 43 -7.039 -14.238 -6.713 1.00 13.31 C ATOM 687 CG LEU A 43 -7.382 -14.939 -5.393 1.00 33.42 C ATOM 688 CD1 LEU A 43 -8.146 -14.002 -4.466 1.00 44.45 C ATOM 689 CD2 LEU A 43 -8.185 -16.209 -5.668 1.00 12.00 C ATOM 0 H LEU A 43 -4.480 -14.276 -6.555 1.00 74.31 H new ATOM 0 HA LEU A 43 -6.489 -16.056 -7.753 1.00 53.54 H new ATOM 0 HB2 LEU A 43 -6.567 -13.281 -6.490 1.00 13.31 H new ATOM 0 HB3 LEU A 43 -7.965 -14.020 -7.246 1.00 13.31 H new ATOM 0 HG LEU A 43 -6.454 -15.217 -4.894 1.00 33.42 H new ATOM 0 HD11 LEU A 43 -8.379 -14.520 -3.536 1.00 44.45 H new ATOM 0 HD12 LEU A 43 -7.535 -13.126 -4.250 1.00 44.45 H new ATOM 0 HD13 LEU A 43 -9.072 -13.688 -4.948 1.00 44.45 H new ATOM 0 HD21 LEU A 43 -8.424 -16.700 -4.725 1.00 12.00 H new ATOM 0 HD22 LEU A 43 -9.108 -15.951 -6.187 1.00 12.00 H new ATOM 0 HD23 LEU A 43 -7.597 -16.884 -6.289 1.00 12.00 H new ATOM 701 N VAL A 44 -4.966 -13.856 -9.444 1.00 35.44 N ATOM 702 CA VAL A 44 -4.808 -13.322 -10.804 1.00 71.42 C ATOM 703 C VAL A 44 -4.593 -14.452 -11.828 1.00 42.05 C ATOM 704 O VAL A 44 -4.752 -15.635 -11.514 1.00 73.44 O ATOM 705 CB VAL A 44 -3.636 -12.309 -10.894 1.00 64.14 C ATOM 706 CG1 VAL A 44 -3.907 -11.083 -10.025 1.00 42.24 C ATOM 707 CG2 VAL A 44 -2.312 -12.967 -10.512 1.00 14.03 C ATOM 0 H VAL A 44 -4.140 -13.756 -8.854 1.00 35.44 H new ATOM 0 HA VAL A 44 -5.734 -12.799 -11.042 1.00 71.42 H new ATOM 0 HB VAL A 44 -3.558 -11.978 -11.929 1.00 64.14 H new ATOM 0 HG11 VAL A 44 -3.071 -10.388 -10.105 1.00 42.24 H new ATOM 0 HG12 VAL A 44 -4.820 -10.593 -10.362 1.00 42.24 H new ATOM 0 HG13 VAL A 44 -4.024 -11.392 -8.986 1.00 42.24 H new ATOM 0 HG21 VAL A 44 -1.508 -12.235 -10.584 1.00 14.03 H new ATOM 0 HG22 VAL A 44 -2.373 -13.340 -9.490 1.00 14.03 H new ATOM 0 HG23 VAL A 44 -2.109 -13.796 -11.190 1.00 14.03 H new ATOM 865 N MET A 54 -11.286 -17.078 -16.558 1.00 5.23 N ATOM 866 CA MET A 54 -11.378 -15.846 -15.761 1.00 12.54 C ATOM 867 C MET A 54 -12.486 -15.932 -14.689 1.00 63.41 C ATOM 868 O MET A 54 -12.233 -15.702 -13.504 1.00 5.23 O ATOM 869 CB MET A 54 -11.629 -14.650 -16.690 1.00 24.24 C ATOM 870 CG MET A 54 -11.745 -13.311 -15.968 1.00 4.51 C ATOM 871 SD MET A 54 -10.342 -12.989 -14.884 1.00 1.33 S ATOM 872 CE MET A 54 -10.634 -11.278 -14.435 1.00 13.54 C ATOM 0 HA MET A 54 -10.431 -15.714 -15.237 1.00 12.54 H new ATOM 0 HB2 MET A 54 -10.817 -14.590 -17.414 1.00 24.24 H new ATOM 0 HB3 MET A 54 -12.546 -14.827 -17.253 1.00 24.24 H new ATOM 0 HG2 MET A 54 -11.823 -12.511 -16.704 1.00 4.51 H new ATOM 0 HG3 MET A 54 -12.664 -13.296 -15.382 1.00 4.51 H new ATOM 0 HE1 MET A 54 -9.709 -10.711 -14.541 1.00 13.54 H new ATOM 0 HE2 MET A 54 -11.396 -10.855 -15.090 1.00 13.54 H new ATOM 0 HE3 MET A 54 -10.975 -11.226 -13.401 1.00 13.54 H new ATOM 882 N GLU A 55 -13.703 -16.283 -15.117 1.00 35.21 N ATOM 883 CA GLU A 55 -14.890 -16.311 -14.237 1.00 5.11 C ATOM 884 C GLU A 55 -14.648 -17.066 -12.916 1.00 34.43 C ATOM 885 O GLU A 55 -15.011 -16.592 -11.838 1.00 21.25 O ATOM 886 CB GLU A 55 -16.071 -16.967 -14.969 1.00 51.53 C ATOM 887 CG GLU A 55 -17.344 -17.052 -14.129 1.00 32.24 C ATOM 888 CD GLU A 55 -18.376 -17.999 -14.716 1.00 23.03 C ATOM 889 OE1 GLU A 55 -18.260 -19.221 -14.486 1.00 45.20 O ATOM 890 OE2 GLU A 55 -19.306 -17.532 -15.402 1.00 15.32 O ATOM 0 H GLU A 55 -13.899 -16.556 -16.080 1.00 35.21 H new ATOM 0 HA GLU A 55 -15.112 -15.273 -13.989 1.00 5.11 H new ATOM 0 HB2 GLU A 55 -16.283 -16.403 -15.877 1.00 51.53 H new ATOM 0 HB3 GLU A 55 -15.783 -17.972 -15.278 1.00 51.53 H new ATOM 0 HG2 GLU A 55 -17.088 -17.381 -13.122 1.00 32.24 H new ATOM 0 HG3 GLU A 55 -17.781 -16.057 -14.038 1.00 32.24 H new ATOM 897 N ARG A 56 -14.021 -18.234 -13.010 1.00 22.12 N ATOM 898 CA ARG A 56 -13.870 -19.144 -11.861 1.00 34.11 C ATOM 899 C ARG A 56 -13.213 -18.479 -10.631 1.00 71.41 C ATOM 900 O ARG A 56 -13.559 -18.797 -9.494 1.00 63.42 O ATOM 901 CB ARG A 56 -13.076 -20.392 -12.288 1.00 22.10 C ATOM 902 CG ARG A 56 -13.929 -21.501 -12.916 1.00 31.41 C ATOM 903 CD ARG A 56 -14.871 -20.979 -14.003 1.00 23.40 C ATOM 904 NE ARG A 56 -15.422 -22.064 -14.813 1.00 22.32 N ATOM 905 CZ ARG A 56 -16.247 -21.902 -15.815 1.00 1.52 C ATOM 906 NH1 ARG A 56 -16.747 -20.742 -16.090 1.00 43.41 N ATOM 907 NH2 ARG A 56 -16.600 -22.919 -16.523 1.00 42.50 N ATOM 0 H ARG A 56 -13.604 -18.582 -13.873 1.00 22.12 H new ATOM 0 HA ARG A 56 -14.875 -19.428 -11.548 1.00 34.11 H new ATOM 0 HB2 ARG A 56 -12.308 -20.093 -13.002 1.00 22.10 H new ATOM 0 HB3 ARG A 56 -12.561 -20.796 -11.416 1.00 22.10 H new ATOM 0 HG2 ARG A 56 -13.273 -22.260 -13.343 1.00 31.41 H new ATOM 0 HG3 ARG A 56 -14.515 -21.988 -12.137 1.00 31.41 H new ATOM 0 HD2 ARG A 56 -15.685 -20.421 -13.541 1.00 23.40 H new ATOM 0 HD3 ARG A 56 -14.333 -20.283 -14.646 1.00 23.40 H new ATOM 0 HE ARG A 56 -15.143 -23.017 -14.580 1.00 22.32 H new ATOM 0 HH11 ARG A 56 -16.500 -19.932 -15.521 1.00 43.41 H new ATOM 0 HH12 ARG A 56 -17.389 -20.637 -16.876 1.00 43.41 H new ATOM 0 HH21 ARG A 56 -16.236 -23.846 -16.301 1.00 42.50 H new ATOM 0 HH22 ARG A 56 -17.243 -22.797 -17.305 1.00 42.50 H new ATOM 921 N HIS A 57 -12.286 -17.548 -10.848 1.00 72.40 N ATOM 922 CA HIS A 57 -11.577 -16.908 -9.725 1.00 22.14 C ATOM 923 C HIS A 57 -12.069 -15.472 -9.460 1.00 22.01 C ATOM 924 O HIS A 57 -11.435 -14.724 -8.714 1.00 11.32 O ATOM 925 CB HIS A 57 -10.059 -16.922 -9.966 1.00 12.24 C ATOM 926 CG HIS A 57 -9.623 -16.218 -11.216 1.00 73.14 C ATOM 927 ND1 HIS A 57 -9.389 -14.863 -11.273 1.00 21.43 N ATOM 928 CD2 HIS A 57 -9.354 -16.693 -12.454 1.00 63.25 C ATOM 929 CE1 HIS A 57 -9.000 -14.535 -12.486 1.00 71.11 C ATOM 930 NE2 HIS A 57 -8.965 -15.624 -13.226 1.00 15.24 N ATOM 0 H HIS A 57 -12.007 -17.219 -11.772 1.00 72.40 H new ATOM 0 HA HIS A 57 -11.801 -17.492 -8.832 1.00 22.14 H new ATOM 0 HB2 HIS A 57 -9.564 -16.460 -9.112 1.00 12.24 H new ATOM 0 HB3 HIS A 57 -9.720 -17.957 -10.010 1.00 12.24 H new ATOM 0 HD1 HIS A 57 -9.500 -14.213 -10.495 1.00 21.43 H new ATOM 0 HD2 HIS A 57 -9.431 -17.721 -12.776 1.00 63.25 H new ATOM 0 HE1 HIS A 57 -8.751 -13.539 -12.820 1.00 71.11 H new ATOM 939 N ILE A 58 -13.209 -15.100 -10.047 1.00 50.22 N ATOM 940 CA ILE A 58 -13.787 -13.760 -9.846 1.00 33.33 C ATOM 941 C ILE A 58 -14.292 -13.556 -8.409 1.00 33.03 C ATOM 942 O ILE A 58 -13.992 -12.542 -7.775 1.00 23.41 O ATOM 943 CB ILE A 58 -14.953 -13.490 -10.833 1.00 0.22 C ATOM 944 CG1 ILE A 58 -14.429 -13.423 -12.276 1.00 42.13 C ATOM 945 CG2 ILE A 58 -15.702 -12.203 -10.473 1.00 23.22 C ATOM 946 CD1 ILE A 58 -13.508 -12.251 -12.547 1.00 71.50 C ATOM 0 H ILE A 58 -13.752 -15.703 -10.665 1.00 50.22 H new ATOM 0 HA ILE A 58 -12.980 -13.053 -10.037 1.00 33.33 H new ATOM 0 HB ILE A 58 -15.657 -14.318 -10.754 1.00 0.22 H new ATOM 0 HG12 ILE A 58 -13.898 -14.348 -12.501 1.00 42.13 H new ATOM 0 HG13 ILE A 58 -15.278 -13.369 -12.957 1.00 42.13 H new ATOM 0 HG21 ILE A 58 -16.513 -12.043 -11.184 1.00 23.22 H new ATOM 0 HG22 ILE A 58 -16.113 -12.291 -9.467 1.00 23.22 H new ATOM 0 HG23 ILE A 58 -15.014 -11.359 -10.511 1.00 23.22 H new ATOM 0 HD11 ILE A 58 -13.183 -12.277 -13.587 1.00 71.50 H new ATOM 0 HD12 ILE A 58 -14.040 -11.319 -12.356 1.00 71.50 H new ATOM 0 HD13 ILE A 58 -12.638 -12.313 -11.893 1.00 71.50 H new ATOM 958 N ASN A 59 -15.042 -14.529 -7.898 1.00 41.21 N ATOM 959 CA ASN A 59 -15.653 -14.428 -6.566 1.00 61.40 C ATOM 960 C ASN A 59 -14.614 -14.085 -5.483 1.00 24.41 C ATOM 961 O ASN A 59 -14.879 -13.297 -4.576 1.00 15.01 O ATOM 962 CB ASN A 59 -16.355 -15.745 -6.220 1.00 50.43 C ATOM 963 CG ASN A 59 -17.416 -16.115 -7.241 1.00 32.32 C ATOM 964 OD1 ASN A 59 -17.140 -16.797 -8.222 1.00 5.30 O ATOM 965 ND2 ASN A 59 -18.636 -15.665 -7.027 1.00 60.14 N ATOM 0 H ASN A 59 -15.245 -15.402 -8.385 1.00 41.21 H new ATOM 0 HA ASN A 59 -16.380 -13.617 -6.592 1.00 61.40 H new ATOM 0 HB2 ASN A 59 -15.616 -16.544 -6.161 1.00 50.43 H new ATOM 0 HB3 ASN A 59 -16.814 -15.662 -5.235 1.00 50.43 H new ATOM 0 HD21 ASN A 59 -19.383 -15.882 -7.687 1.00 60.14 H new ATOM 0 HD22 ASN A 59 -18.834 -15.100 -6.201 1.00 60.14 H new ATOM 972 N GLU A 60 -13.425 -14.668 -5.598 1.00 61.21 N ATOM 973 CA GLU A 60 -12.364 -14.459 -4.610 1.00 42.13 C ATOM 974 C GLU A 60 -11.529 -13.199 -4.904 1.00 12.33 C ATOM 975 O GLU A 60 -11.240 -12.416 -3.995 1.00 5.20 O ATOM 976 CB GLU A 60 -11.468 -15.699 -4.540 1.00 13.32 C ATOM 977 CG GLU A 60 -12.217 -16.965 -4.130 1.00 62.02 C ATOM 978 CD GLU A 60 -12.915 -16.824 -2.783 1.00 45.53 C ATOM 979 OE1 GLU A 60 -12.278 -17.084 -1.740 1.00 60.44 O ATOM 980 OE2 GLU A 60 -14.105 -16.441 -2.756 1.00 23.22 O ATOM 0 H GLU A 60 -13.169 -15.290 -6.365 1.00 61.21 H new ATOM 0 HA GLU A 60 -12.840 -14.301 -3.642 1.00 42.13 H new ATOM 0 HB2 GLU A 60 -11.005 -15.859 -5.514 1.00 13.32 H new ATOM 0 HB3 GLU A 60 -10.662 -15.516 -3.829 1.00 13.32 H new ATOM 0 HG2 GLU A 60 -12.956 -17.209 -4.894 1.00 62.02 H new ATOM 0 HG3 GLU A 60 -11.516 -17.799 -4.086 1.00 62.02 H new ATOM 987 N ILE A 61 -11.149 -12.993 -6.167 1.00 1.45 N ATOM 988 CA ILE A 61 -10.349 -11.816 -6.541 1.00 40.14 C ATOM 989 C ILE A 61 -11.117 -10.512 -6.253 1.00 34.44 C ATOM 990 O ILE A 61 -10.519 -9.466 -5.988 1.00 2.23 O ATOM 991 CB ILE A 61 -9.915 -11.859 -8.034 1.00 53.01 C ATOM 992 CG1 ILE A 61 -8.837 -10.801 -8.325 1.00 21.54 C ATOM 993 CG2 ILE A 61 -11.113 -11.661 -8.959 1.00 61.20 C ATOM 994 CD1 ILE A 61 -8.268 -10.882 -9.730 1.00 32.22 C ATOM 0 H ILE A 61 -11.377 -13.615 -6.942 1.00 1.45 H new ATOM 0 HA ILE A 61 -9.448 -11.838 -5.928 1.00 40.14 H new ATOM 0 HB ILE A 61 -9.492 -12.845 -8.226 1.00 53.01 H new ATOM 0 HG12 ILE A 61 -9.263 -9.809 -8.171 1.00 21.54 H new ATOM 0 HG13 ILE A 61 -8.025 -10.915 -7.606 1.00 21.54 H new ATOM 0 HG21 ILE A 61 -10.781 -11.695 -9.997 1.00 61.20 H new ATOM 0 HG22 ILE A 61 -11.842 -12.452 -8.785 1.00 61.20 H new ATOM 0 HG23 ILE A 61 -11.573 -10.693 -8.757 1.00 61.20 H new ATOM 0 HD11 ILE A 61 -7.514 -10.106 -9.863 1.00 32.22 H new ATOM 0 HD12 ILE A 61 -7.812 -11.860 -9.882 1.00 32.22 H new ATOM 0 HD13 ILE A 61 -9.069 -10.738 -10.456 1.00 32.22 H new ATOM 1006 N ARG A 62 -12.449 -10.596 -6.283 1.00 12.53 N ATOM 1007 CA ARG A 62 -13.316 -9.465 -5.932 1.00 60.42 C ATOM 1008 C ARG A 62 -13.023 -8.963 -4.507 1.00 55.23 C ATOM 1009 O ARG A 62 -13.044 -7.757 -4.238 1.00 3.34 O ATOM 1010 CB ARG A 62 -14.792 -9.876 -6.055 1.00 2.25 C ATOM 1011 CG ARG A 62 -15.773 -8.755 -5.731 1.00 34.25 C ATOM 1012 CD ARG A 62 -17.222 -9.213 -5.846 1.00 52.32 C ATOM 1013 NE ARG A 62 -18.154 -8.130 -5.550 1.00 12.43 N ATOM 1014 CZ ARG A 62 -19.419 -8.296 -5.294 1.00 4.42 C ATOM 1015 NH1 ARG A 62 -19.943 -9.479 -5.282 1.00 24.34 N ATOM 1016 NH2 ARG A 62 -20.159 -7.270 -5.041 1.00 13.31 N ATOM 0 H ARG A 62 -12.955 -11.441 -6.548 1.00 12.53 H new ATOM 0 HA ARG A 62 -13.111 -8.650 -6.626 1.00 60.42 H new ATOM 0 HB2 ARG A 62 -14.978 -10.227 -7.070 1.00 2.25 H new ATOM 0 HB3 ARG A 62 -14.982 -10.716 -5.387 1.00 2.25 H new ATOM 0 HG2 ARG A 62 -15.587 -8.391 -4.720 1.00 34.25 H new ATOM 0 HG3 ARG A 62 -15.603 -7.918 -6.408 1.00 34.25 H new ATOM 0 HD2 ARG A 62 -17.407 -9.587 -6.853 1.00 52.32 H new ATOM 0 HD3 ARG A 62 -17.397 -10.042 -5.160 1.00 52.32 H new ATOM 0 HE ARG A 62 -17.789 -7.178 -5.543 1.00 12.43 H new ATOM 0 HH11 ARG A 62 -19.363 -10.296 -5.475 1.00 24.34 H new ATOM 0 HH12 ARG A 62 -20.936 -9.595 -5.080 1.00 24.34 H new ATOM 0 HH21 ARG A 62 -19.752 -6.335 -5.042 1.00 13.31 H new ATOM 0 HH22 ARG A 62 -21.151 -7.394 -4.840 1.00 13.31 H new ATOM 1030 N THR A 63 -12.755 -9.901 -3.599 1.00 13.13 N ATOM 1031 CA THR A 63 -12.370 -9.568 -2.222 1.00 0.35 C ATOM 1032 C THR A 63 -10.904 -9.130 -2.157 1.00 52.42 C ATOM 1033 O THR A 63 -10.571 -8.144 -1.501 1.00 31.53 O ATOM 1034 CB THR A 63 -12.587 -10.767 -1.260 1.00 42.50 C ATOM 1035 OG1 THR A 63 -13.985 -11.108 -1.201 1.00 43.21 O ATOM 1036 CG2 THR A 63 -12.079 -10.461 0.152 1.00 12.21 C ATOM 0 H THR A 63 -12.797 -10.902 -3.790 1.00 13.13 H new ATOM 0 HA THR A 63 -13.010 -8.745 -1.904 1.00 0.35 H new ATOM 0 HB THR A 63 -12.016 -11.608 -1.653 1.00 42.50 H new ATOM 0 HG1 THR A 63 -14.111 -11.866 -0.593 1.00 43.21 H new ATOM 0 HG21 THR A 63 -12.249 -11.325 0.795 1.00 12.21 H new ATOM 0 HG22 THR A 63 -11.012 -10.240 0.115 1.00 12.21 H new ATOM 0 HG23 THR A 63 -12.614 -9.600 0.552 1.00 12.21 H new ATOM 1044 N ALA A 64 -10.035 -9.861 -2.864 1.00 23.24 N ATOM 1045 CA ALA A 64 -8.595 -9.560 -2.891 1.00 21.21 C ATOM 1046 C ALA A 64 -8.319 -8.087 -3.231 1.00 31.00 C ATOM 1047 O ALA A 64 -7.497 -7.439 -2.588 1.00 54.23 O ATOM 1048 CB ALA A 64 -7.883 -10.466 -3.887 1.00 12.02 C ATOM 0 H ALA A 64 -10.303 -10.668 -3.427 1.00 23.24 H new ATOM 0 HA ALA A 64 -8.207 -9.746 -1.889 1.00 21.21 H new ATOM 0 HB1 ALA A 64 -6.819 -10.231 -3.896 1.00 12.02 H new ATOM 0 HB2 ALA A 64 -8.023 -11.507 -3.596 1.00 12.02 H new ATOM 0 HB3 ALA A 64 -8.297 -10.309 -4.883 1.00 12.02 H new ATOM 1054 N VAL A 65 -9.017 -7.570 -4.241 1.00 72.03 N ATOM 1055 CA VAL A 65 -8.900 -6.158 -4.629 1.00 63.43 C ATOM 1056 C VAL A 65 -9.175 -5.217 -3.442 1.00 13.01 C ATOM 1057 O VAL A 65 -8.423 -4.269 -3.199 1.00 42.30 O ATOM 1058 CB VAL A 65 -9.863 -5.828 -5.800 1.00 74.43 C ATOM 1059 CG1 VAL A 65 -9.899 -4.329 -6.090 1.00 42.13 C ATOM 1060 CG2 VAL A 65 -9.462 -6.603 -7.053 1.00 10.23 C ATOM 0 H VAL A 65 -9.672 -8.107 -4.809 1.00 72.03 H new ATOM 0 HA VAL A 65 -7.873 -5.998 -4.957 1.00 63.43 H new ATOM 0 HB VAL A 65 -10.866 -6.133 -5.502 1.00 74.43 H new ATOM 0 HG11 VAL A 65 -10.583 -4.134 -6.916 1.00 42.13 H new ATOM 0 HG12 VAL A 65 -10.239 -3.795 -5.203 1.00 42.13 H new ATOM 0 HG13 VAL A 65 -8.900 -3.986 -6.359 1.00 42.13 H new ATOM 0 HG21 VAL A 65 -10.147 -6.361 -7.865 1.00 10.23 H new ATOM 0 HG22 VAL A 65 -8.447 -6.330 -7.341 1.00 10.23 H new ATOM 0 HG23 VAL A 65 -9.505 -7.673 -6.849 1.00 10.23 H new ATOM 1070 N ASP A 66 -10.243 -5.498 -2.696 1.00 53.21 N ATOM 1071 CA ASP A 66 -10.586 -4.718 -1.500 1.00 34.43 C ATOM 1072 C ASP A 66 -9.507 -4.873 -0.411 1.00 64.24 C ATOM 1073 O ASP A 66 -9.184 -3.918 0.300 1.00 63.02 O ATOM 1074 CB ASP A 66 -11.959 -5.164 -0.975 1.00 14.13 C ATOM 1075 CG ASP A 66 -12.342 -4.502 0.340 1.00 1.34 C ATOM 1076 OD1 ASP A 66 -12.461 -3.260 0.381 1.00 12.13 O ATOM 1077 OD2 ASP A 66 -12.548 -5.224 1.341 1.00 45.32 O ATOM 0 H ASP A 66 -10.889 -6.261 -2.897 1.00 53.21 H new ATOM 0 HA ASP A 66 -10.632 -3.662 -1.768 1.00 34.43 H new ATOM 0 HB2 ASP A 66 -12.718 -4.937 -1.723 1.00 14.13 H new ATOM 0 HB3 ASP A 66 -11.956 -6.246 -0.842 1.00 14.13 H new ATOM 1082 N LYS A 67 -8.944 -6.078 -0.299 1.00 21.02 N ATOM 1083 CA LYS A 67 -7.891 -6.358 0.689 1.00 72.10 C ATOM 1084 C LYS A 67 -6.608 -5.571 0.384 1.00 22.53 C ATOM 1085 O LYS A 67 -6.071 -4.891 1.253 1.00 20.53 O ATOM 1086 CB LYS A 67 -7.563 -7.854 0.731 1.00 61.14 C ATOM 1087 CG LYS A 67 -8.766 -8.754 0.985 1.00 54.31 C ATOM 1088 CD LYS A 67 -8.336 -10.206 1.168 1.00 41.33 C ATOM 1089 CE LYS A 67 -7.686 -10.435 2.526 1.00 72.23 C ATOM 1090 NZ LYS A 67 -7.171 -11.824 2.668 1.00 2.43 N ATOM 0 H LYS A 67 -9.197 -6.878 -0.879 1.00 21.02 H new ATOM 0 HA LYS A 67 -8.275 -6.043 1.659 1.00 72.10 H new ATOM 0 HB2 LYS A 67 -7.104 -8.140 -0.215 1.00 61.14 H new ATOM 0 HB3 LYS A 67 -6.822 -8.030 1.511 1.00 61.14 H new ATOM 0 HG2 LYS A 67 -9.297 -8.414 1.874 1.00 54.31 H new ATOM 0 HG3 LYS A 67 -9.462 -8.680 0.150 1.00 54.31 H new ATOM 0 HD2 LYS A 67 -9.203 -10.858 1.065 1.00 41.33 H new ATOM 0 HD3 LYS A 67 -7.636 -10.480 0.379 1.00 41.33 H new ATOM 0 HE2 LYS A 67 -6.867 -9.729 2.660 1.00 72.23 H new ATOM 0 HE3 LYS A 67 -8.412 -10.235 3.314 1.00 72.23 H new ATOM 0 HZ1 LYS A 67 -6.736 -11.939 3.606 1.00 2.43 H new ATOM 0 HZ2 LYS A 67 -7.957 -12.498 2.566 1.00 2.43 H new ATOM 0 HZ3 LYS A 67 -6.460 -12.007 1.932 1.00 2.43 H new ATOM 1104 N VAL A 68 -6.120 -5.675 -0.852 1.00 63.13 N ATOM 1105 CA VAL A 68 -4.892 -4.979 -1.266 1.00 62.31 C ATOM 1106 C VAL A 68 -4.987 -3.470 -0.993 1.00 1.12 C ATOM 1107 O VAL A 68 -4.066 -2.871 -0.434 1.00 73.22 O ATOM 1108 CB VAL A 68 -4.584 -5.217 -2.769 1.00 35.44 C ATOM 1109 CG1 VAL A 68 -3.327 -4.458 -3.202 1.00 31.32 C ATOM 1110 CG2 VAL A 68 -4.442 -6.712 -3.060 1.00 14.45 C ATOM 0 H VAL A 68 -6.553 -6.234 -1.587 1.00 63.13 H new ATOM 0 HA VAL A 68 -4.077 -5.394 -0.672 1.00 62.31 H new ATOM 0 HB VAL A 68 -5.423 -4.832 -3.349 1.00 35.44 H new ATOM 0 HG11 VAL A 68 -3.136 -4.644 -4.259 1.00 31.32 H new ATOM 0 HG12 VAL A 68 -3.474 -3.390 -3.042 1.00 31.32 H new ATOM 0 HG13 VAL A 68 -2.475 -4.799 -2.614 1.00 31.32 H new ATOM 0 HG21 VAL A 68 -4.226 -6.858 -4.118 1.00 14.45 H new ATOM 0 HG22 VAL A 68 -3.627 -7.123 -2.464 1.00 14.45 H new ATOM 0 HG23 VAL A 68 -5.371 -7.222 -2.805 1.00 14.45 H new ATOM 1120 N GLU A 69 -6.113 -2.868 -1.371 1.00 3.02 N ATOM 1121 CA GLU A 69 -6.347 -1.443 -1.119 1.00 23.03 C ATOM 1122 C GLU A 69 -6.448 -1.179 0.400 1.00 24.40 C ATOM 1123 O GLU A 69 -5.951 -0.174 0.903 1.00 34.12 O ATOM 1124 CB GLU A 69 -7.630 -0.983 -1.843 1.00 43.30 C ATOM 1125 CG GLU A 69 -7.573 0.437 -2.413 1.00 71.22 C ATOM 1126 CD GLU A 69 -7.443 1.521 -1.351 1.00 0.30 C ATOM 1127 OE1 GLU A 69 -8.420 1.741 -0.604 1.00 72.45 O ATOM 1128 OE2 GLU A 69 -6.382 2.175 -1.278 1.00 13.42 O ATOM 0 H GLU A 69 -6.878 -3.342 -1.852 1.00 3.02 H new ATOM 0 HA GLU A 69 -5.506 -0.869 -1.509 1.00 23.03 H new ATOM 0 HB2 GLU A 69 -7.840 -1.678 -2.656 1.00 43.30 H new ATOM 0 HB3 GLU A 69 -8.466 -1.046 -1.146 1.00 43.30 H new ATOM 0 HG2 GLU A 69 -6.729 0.510 -3.098 1.00 71.22 H new ATOM 0 HG3 GLU A 69 -8.475 0.620 -2.998 1.00 71.22 H new ATOM 1135 N LEU A 70 -7.081 -2.108 1.124 1.00 12.31 N ATOM 1136 CA LEU A 70 -7.187 -2.025 2.590 1.00 34.42 C ATOM 1137 C LEU A 70 -5.799 -1.975 3.255 1.00 51.51 C ATOM 1138 O LEU A 70 -5.460 -1.002 3.929 1.00 31.34 O ATOM 1139 CB LEU A 70 -7.984 -3.226 3.132 1.00 54.04 C ATOM 1140 CG LEU A 70 -8.078 -3.333 4.668 1.00 14.42 C ATOM 1141 CD1 LEU A 70 -8.823 -2.135 5.256 1.00 2.42 C ATOM 1142 CD2 LEU A 70 -8.752 -4.644 5.074 1.00 32.11 C ATOM 0 H LEU A 70 -7.530 -2.930 0.720 1.00 12.31 H new ATOM 0 HA LEU A 70 -7.711 -1.101 2.834 1.00 34.42 H new ATOM 0 HB2 LEU A 70 -8.995 -3.179 2.728 1.00 54.04 H new ATOM 0 HB3 LEU A 70 -7.530 -4.141 2.750 1.00 54.04 H new ATOM 0 HG LEU A 70 -7.065 -3.328 5.071 1.00 14.42 H new ATOM 0 HD11 LEU A 70 -8.875 -2.235 6.340 1.00 2.42 H new ATOM 0 HD12 LEU A 70 -8.294 -1.217 5.002 1.00 2.42 H new ATOM 0 HD13 LEU A 70 -9.832 -2.097 4.846 1.00 2.42 H new ATOM 0 HD21 LEU A 70 -8.810 -4.702 6.161 1.00 32.11 H new ATOM 0 HD22 LEU A 70 -9.757 -4.681 4.655 1.00 32.11 H new ATOM 0 HD23 LEU A 70 -8.170 -5.485 4.696 1.00 32.11 H new ATOM 1154 N PHE A 71 -4.998 -3.022 3.051 1.00 75.24 N ATOM 1155 CA PHE A 71 -3.659 -3.108 3.652 1.00 42.43 C ATOM 1156 C PHE A 71 -2.768 -1.930 3.213 1.00 13.24 C ATOM 1157 O PHE A 71 -1.978 -1.407 4.001 1.00 50.42 O ATOM 1158 CB PHE A 71 -2.993 -4.443 3.287 1.00 71.31 C ATOM 1159 CG PHE A 71 -3.781 -5.661 3.719 1.00 2.31 C ATOM 1160 CD1 PHE A 71 -4.077 -5.876 5.058 1.00 75.05 C ATOM 1161 CD2 PHE A 71 -4.220 -6.594 2.787 1.00 51.53 C ATOM 1162 CE1 PHE A 71 -4.796 -6.990 5.455 1.00 21.15 C ATOM 1163 CE2 PHE A 71 -4.938 -7.707 3.181 1.00 12.11 C ATOM 1164 CZ PHE A 71 -5.226 -7.906 4.514 1.00 63.40 C ATOM 0 H PHE A 71 -5.250 -3.825 2.474 1.00 75.24 H new ATOM 0 HA PHE A 71 -3.777 -3.054 4.734 1.00 42.43 H new ATOM 0 HB2 PHE A 71 -2.847 -4.481 2.208 1.00 71.31 H new ATOM 0 HB3 PHE A 71 -2.004 -4.481 3.744 1.00 71.31 H new ATOM 0 HD1 PHE A 71 -3.742 -5.165 5.799 1.00 75.05 H new ATOM 0 HD2 PHE A 71 -3.997 -6.447 1.741 1.00 51.53 H new ATOM 0 HE1 PHE A 71 -5.021 -7.143 6.500 1.00 21.15 H new ATOM 0 HE2 PHE A 71 -5.274 -8.421 2.444 1.00 12.11 H new ATOM 0 HZ PHE A 71 -5.787 -8.776 4.822 1.00 63.40 H new ATOM 1174 N LEU A 72 -2.908 -1.511 1.955 1.00 11.12 N ATOM 1175 CA LEU A 72 -2.201 -0.328 1.444 1.00 63.14 C ATOM 1176 C LEU A 72 -2.641 0.939 2.208 1.00 55.33 C ATOM 1177 O LEU A 72 -1.819 1.796 2.550 1.00 73.35 O ATOM 1178 CB LEU A 72 -2.460 -0.191 -0.077 1.00 61.44 C ATOM 1179 CG LEU A 72 -1.810 1.009 -0.807 1.00 61.23 C ATOM 1180 CD1 LEU A 72 -2.649 2.277 -0.665 1.00 31.44 C ATOM 1181 CD2 LEU A 72 -0.381 1.243 -0.314 1.00 34.45 C ATOM 0 H LEU A 72 -3.504 -1.971 1.268 1.00 11.12 H new ATOM 0 HA LEU A 72 -1.129 -0.448 1.604 1.00 63.14 H new ATOM 0 HB2 LEU A 72 -2.116 -1.105 -0.561 1.00 61.44 H new ATOM 0 HB3 LEU A 72 -3.538 -0.135 -0.231 1.00 61.44 H new ATOM 0 HG LEU A 72 -1.768 0.760 -1.867 1.00 61.23 H new ATOM 0 HD11 LEU A 72 -2.160 3.097 -1.191 1.00 31.44 H new ATOM 0 HD12 LEU A 72 -3.637 2.109 -1.093 1.00 31.44 H new ATOM 0 HD13 LEU A 72 -2.749 2.531 0.390 1.00 31.44 H new ATOM 0 HD21 LEU A 72 0.052 2.092 -0.843 1.00 34.45 H new ATOM 0 HD22 LEU A 72 -0.395 1.451 0.756 1.00 34.45 H new ATOM 0 HD23 LEU A 72 0.219 0.353 -0.503 1.00 34.45 H new ATOM 1193 N LYS A 73 -3.937 1.026 2.500 1.00 72.03 N ATOM 1194 CA LYS A 73 -4.508 2.176 3.211 1.00 64.10 C ATOM 1195 C LYS A 73 -4.028 2.204 4.670 1.00 43.14 C ATOM 1196 O LYS A 73 -3.794 3.271 5.247 1.00 51.10 O ATOM 1197 CB LYS A 73 -6.046 2.117 3.115 1.00 62.53 C ATOM 1198 CG LYS A 73 -6.795 3.235 3.849 1.00 23.54 C ATOM 1199 CD LYS A 73 -7.178 2.842 5.278 1.00 15.52 C ATOM 1200 CE LYS A 73 -8.087 1.614 5.305 1.00 61.33 C ATOM 1201 NZ LYS A 73 -9.323 1.810 4.501 1.00 65.31 N ATOM 0 H LYS A 73 -4.619 0.309 2.254 1.00 72.03 H new ATOM 0 HA LYS A 73 -4.167 3.101 2.747 1.00 64.10 H new ATOM 0 HB2 LYS A 73 -6.328 2.144 2.063 1.00 62.53 H new ATOM 0 HB3 LYS A 73 -6.381 1.158 3.510 1.00 62.53 H new ATOM 0 HG2 LYS A 73 -6.172 4.129 3.876 1.00 23.54 H new ATOM 0 HG3 LYS A 73 -7.696 3.491 3.292 1.00 23.54 H new ATOM 0 HD2 LYS A 73 -6.275 2.638 5.853 1.00 15.52 H new ATOM 0 HD3 LYS A 73 -7.682 3.678 5.762 1.00 15.52 H new ATOM 0 HE2 LYS A 73 -7.541 0.752 4.923 1.00 61.33 H new ATOM 0 HE3 LYS A 73 -8.359 1.388 6.336 1.00 61.33 H new ATOM 0 HZ1 LYS A 73 -9.976 1.018 4.670 1.00 65.31 H new ATOM 0 HZ2 LYS A 73 -9.780 2.702 4.779 1.00 65.31 H new ATOM 0 HZ3 LYS A 73 -9.078 1.847 3.491 1.00 65.31 H new ATOM 1215 N GLU A 74 -3.870 1.019 5.247 1.00 30.33 N ATOM 1216 CA GLU A 74 -3.332 0.869 6.599 1.00 2.11 C ATOM 1217 C GLU A 74 -1.859 1.300 6.653 1.00 51.40 C ATOM 1218 O GLU A 74 -1.452 2.072 7.525 1.00 5.22 O ATOM 1219 CB GLU A 74 -3.464 -0.594 7.040 1.00 50.12 C ATOM 1220 CG GLU A 74 -4.893 -1.124 6.986 1.00 64.51 C ATOM 1221 CD GLU A 74 -5.786 -0.530 8.063 1.00 13.23 C ATOM 1222 OE1 GLU A 74 -5.823 -1.084 9.184 1.00 72.43 O ATOM 1223 OE2 GLU A 74 -6.455 0.490 7.794 1.00 25.14 O ATOM 0 H GLU A 74 -4.109 0.136 4.795 1.00 30.33 H new ATOM 0 HA GLU A 74 -3.899 1.510 7.274 1.00 2.11 H new ATOM 0 HB2 GLU A 74 -2.832 -1.214 6.405 1.00 50.12 H new ATOM 0 HB3 GLU A 74 -3.087 -0.693 8.058 1.00 50.12 H new ATOM 0 HG2 GLU A 74 -5.319 -0.906 6.007 1.00 64.51 H new ATOM 0 HG3 GLU A 74 -4.877 -2.209 7.092 1.00 64.51 H new ATOM 1230 N TYR A 75 -1.068 0.801 5.703 1.00 21.23 N ATOM 1231 CA TYR A 75 0.358 1.132 5.626 1.00 2.40 C ATOM 1232 C TYR A 75 0.579 2.645 5.443 1.00 51.20 C ATOM 1233 O TYR A 75 1.274 3.282 6.241 1.00 73.32 O ATOM 1234 CB TYR A 75 1.032 0.363 4.479 1.00 64.35 C ATOM 1235 CG TYR A 75 2.494 0.733 4.296 1.00 62.42 C ATOM 1236 CD1 TYR A 75 3.487 0.128 5.060 1.00 51.21 C ATOM 1237 CD2 TYR A 75 2.875 1.712 3.382 1.00 22.54 C ATOM 1238 CE1 TYR A 75 4.813 0.485 4.917 1.00 13.01 C ATOM 1239 CE2 TYR A 75 4.197 2.078 3.240 1.00 43.43 C ATOM 1240 CZ TYR A 75 5.162 1.461 4.007 1.00 63.44 C ATOM 1241 OH TYR A 75 6.476 1.840 3.877 1.00 72.22 O ATOM 0 H TYR A 75 -1.390 0.165 4.974 1.00 21.23 H new ATOM 0 HA TYR A 75 0.812 0.834 6.571 1.00 2.40 H new ATOM 0 HB2 TYR A 75 0.955 -0.707 4.672 1.00 64.35 H new ATOM 0 HB3 TYR A 75 0.494 0.560 3.552 1.00 64.35 H new ATOM 0 HD1 TYR A 75 3.216 -0.633 5.777 1.00 51.21 H new ATOM 0 HD2 TYR A 75 2.123 2.193 2.774 1.00 22.54 H new ATOM 0 HE1 TYR A 75 5.573 0.003 5.514 1.00 13.01 H new ATOM 0 HE2 TYR A 75 4.475 2.844 2.531 1.00 43.43 H new ATOM 0 HH TYR A 75 7.048 1.044 3.881 1.00 72.22 H new ATOM 1251 N LEU A 76 -0.015 3.214 4.390 1.00 14.45 N ATOM 1252 CA LEU A 76 0.128 4.648 4.101 1.00 70.22 C ATOM 1253 C LEU A 76 -0.301 5.519 5.292 1.00 72.23 C ATOM 1254 O LEU A 76 0.241 6.603 5.505 1.00 10.15 O ATOM 1255 CB LEU A 76 -0.663 5.032 2.834 1.00 61.22 C ATOM 1256 CG LEU A 76 0.038 4.703 1.503 1.00 63.31 C ATOM 1257 CD1 LEU A 76 -0.849 5.055 0.308 1.00 61.42 C ATOM 1258 CD2 LEU A 76 1.372 5.441 1.416 1.00 31.23 C ATOM 0 H LEU A 76 -0.598 2.707 3.724 1.00 14.45 H new ATOM 0 HA LEU A 76 1.186 4.838 3.922 1.00 70.22 H new ATOM 0 HB2 LEU A 76 -1.625 4.521 2.856 1.00 61.22 H new ATOM 0 HB3 LEU A 76 -0.870 6.102 2.863 1.00 61.22 H new ATOM 0 HG LEU A 76 0.225 3.630 1.473 1.00 63.31 H new ATOM 0 HD11 LEU A 76 -0.327 4.811 -0.617 1.00 61.42 H new ATOM 0 HD12 LEU A 76 -1.776 4.484 0.362 1.00 61.42 H new ATOM 0 HD13 LEU A 76 -1.077 6.121 0.326 1.00 61.42 H new ATOM 0 HD21 LEU A 76 1.859 5.201 0.471 1.00 31.23 H new ATOM 0 HD22 LEU A 76 1.198 6.516 1.472 1.00 31.23 H new ATOM 0 HD23 LEU A 76 2.012 5.134 2.243 1.00 31.23 H new ATOM 1270 N HIS A 77 -1.258 5.031 6.079 1.00 23.43 N ATOM 1271 CA HIS A 77 -1.738 5.767 7.252 1.00 62.12 C ATOM 1272 C HIS A 77 -0.625 5.907 8.313 1.00 21.14 C ATOM 1273 O HIS A 77 -0.503 6.943 8.965 1.00 52.11 O ATOM 1274 CB HIS A 77 -2.964 5.059 7.853 1.00 44.34 C ATOM 1275 CG HIS A 77 -3.785 5.924 8.764 1.00 4.42 C ATOM 1276 ND1 HIS A 77 -4.916 5.472 9.404 1.00 64.12 N ATOM 1277 CD2 HIS A 77 -3.655 7.228 9.120 1.00 3.43 C ATOM 1278 CE1 HIS A 77 -5.444 6.451 10.106 1.00 64.03 C ATOM 1279 NE2 HIS A 77 -4.700 7.527 9.955 1.00 14.22 N ATOM 0 H HIS A 77 -1.716 4.132 5.928 1.00 23.43 H new ATOM 0 HA HIS A 77 -2.027 6.769 6.933 1.00 62.12 H new ATOM 0 HB2 HIS A 77 -3.597 4.701 7.041 1.00 44.34 H new ATOM 0 HB3 HIS A 77 -2.629 4.182 8.407 1.00 44.34 H new ATOM 0 HD2 HIS A 77 -2.874 7.904 8.804 1.00 3.43 H new ATOM 0 HE1 HIS A 77 -6.339 6.384 10.707 1.00 64.03 H new ATOM 0 HE2 HIS A 77 -4.873 8.434 10.388 1.00 14.22 H new ATOM 1288 N PHE A 78 0.190 4.861 8.458 1.00 54.01 N ATOM 1289 CA PHE A 78 1.286 4.851 9.440 1.00 11.44 C ATOM 1290 C PHE A 78 2.443 5.763 8.998 1.00 71.24 C ATOM 1291 O PHE A 78 2.897 6.626 9.755 1.00 41.34 O ATOM 1292 CB PHE A 78 1.792 3.414 9.630 1.00 41.31 C ATOM 1293 CG PHE A 78 2.756 3.228 10.785 1.00 64.31 C ATOM 1294 CD1 PHE A 78 4.124 3.418 10.616 1.00 32.21 C ATOM 1295 CD2 PHE A 78 2.291 2.847 12.039 1.00 65.41 C ATOM 1296 CE1 PHE A 78 5.001 3.234 11.671 1.00 53.22 C ATOM 1297 CE2 PHE A 78 3.166 2.664 13.095 1.00 61.43 C ATOM 1298 CZ PHE A 78 4.521 2.857 12.911 1.00 65.41 C ATOM 0 H PHE A 78 0.115 4.005 7.908 1.00 54.01 H new ATOM 0 HA PHE A 78 0.902 5.234 10.386 1.00 11.44 H new ATOM 0 HB2 PHE A 78 0.934 2.759 9.782 1.00 41.31 H new ATOM 0 HB3 PHE A 78 2.281 3.091 8.711 1.00 41.31 H new ATOM 0 HD1 PHE A 78 4.506 3.713 9.650 1.00 32.21 H new ATOM 0 HD2 PHE A 78 1.233 2.692 12.191 1.00 65.41 H new ATOM 0 HE1 PHE A 78 6.060 3.385 11.525 1.00 53.22 H new ATOM 0 HE2 PHE A 78 2.789 2.370 14.064 1.00 61.43 H new ATOM 0 HZ PHE A 78 5.205 2.714 13.735 1.00 65.41 H new ATOM 1308 N VAL A 79 2.917 5.572 7.767 1.00 74.55 N ATOM 1309 CA VAL A 79 4.048 6.357 7.247 1.00 31.03 C ATOM 1310 C VAL A 79 3.757 7.866 7.256 1.00 34.11 C ATOM 1311 O VAL A 79 4.647 8.674 7.530 1.00 53.34 O ATOM 1312 CB VAL A 79 4.454 5.910 5.821 1.00 44.10 C ATOM 1313 CG1 VAL A 79 4.881 4.444 5.823 1.00 3.05 C ATOM 1314 CG2 VAL A 79 3.325 6.141 4.821 1.00 74.40 C ATOM 0 H VAL A 79 2.542 4.887 7.111 1.00 74.55 H new ATOM 0 HA VAL A 79 4.883 6.165 7.921 1.00 31.03 H new ATOM 0 HB VAL A 79 5.301 6.520 5.508 1.00 44.10 H new ATOM 0 HG11 VAL A 79 5.163 4.146 4.813 1.00 3.05 H new ATOM 0 HG12 VAL A 79 5.732 4.314 6.491 1.00 3.05 H new ATOM 0 HG13 VAL A 79 4.053 3.824 6.166 1.00 3.05 H new ATOM 0 HG21 VAL A 79 3.644 5.816 3.831 1.00 74.40 H new ATOM 0 HG22 VAL A 79 2.447 5.570 5.125 1.00 74.40 H new ATOM 0 HG23 VAL A 79 3.076 7.202 4.792 1.00 74.40 H new ATOM 1324 N LYS A 80 2.506 8.241 6.967 1.00 21.52 N ATOM 1325 CA LYS A 80 2.077 9.644 7.054 1.00 13.35 C ATOM 1326 C LYS A 80 2.261 10.194 8.478 1.00 53.13 C ATOM 1327 O LYS A 80 2.632 11.357 8.662 1.00 72.22 O ATOM 1328 CB LYS A 80 0.608 9.775 6.620 1.00 23.44 C ATOM 1329 CG LYS A 80 0.392 9.646 5.110 1.00 21.14 C ATOM 1330 CD LYS A 80 -1.082 9.434 4.761 1.00 2.12 C ATOM 1331 CE LYS A 80 -1.325 9.480 3.257 1.00 3.13 C ATOM 1332 NZ LYS A 80 -1.089 10.836 2.698 1.00 55.32 N ATOM 0 H LYS A 80 1.774 7.596 6.671 1.00 21.52 H new ATOM 0 HA LYS A 80 2.702 10.232 6.382 1.00 13.35 H new ATOM 0 HB2 LYS A 80 0.020 9.010 7.128 1.00 23.44 H new ATOM 0 HB3 LYS A 80 0.227 10.741 6.950 1.00 23.44 H new ATOM 0 HG2 LYS A 80 0.757 10.545 4.613 1.00 21.14 H new ATOM 0 HG3 LYS A 80 0.979 8.810 4.729 1.00 21.14 H new ATOM 0 HD2 LYS A 80 -1.412 8.472 5.152 1.00 2.12 H new ATOM 0 HD3 LYS A 80 -1.684 10.200 5.249 1.00 2.12 H new ATOM 0 HE2 LYS A 80 -0.669 8.764 2.761 1.00 3.13 H new ATOM 0 HE3 LYS A 80 -2.349 9.174 3.045 1.00 3.13 H new ATOM 0 HZ1 LYS A 80 -1.166 10.802 1.661 1.00 55.32 H new ATOM 0 HZ2 LYS A 80 -1.798 11.496 3.076 1.00 55.32 H new ATOM 0 HZ3 LYS A 80 -0.138 11.161 2.964 1.00 55.32 H new ATOM 1346 N GLY A 81 2.005 9.349 9.476 1.00 24.32 N ATOM 1347 CA GLY A 81 2.226 9.735 10.865 1.00 24.11 C ATOM 1348 C GLY A 81 3.705 9.925 11.196 1.00 71.10 C ATOM 1349 O GLY A 81 4.066 10.785 12.002 1.00 32.45 O ATOM 0 H GLY A 81 1.648 8.402 9.349 1.00 24.32 H new ATOM 0 HA2 GLY A 81 1.690 10.662 11.070 1.00 24.11 H new ATOM 0 HA3 GLY A 81 1.806 8.972 11.521 1.00 24.11 H new ATOM 1353 N ALA A 82 4.562 9.112 10.580 1.00 42.52 N ATOM 1354 CA ALA A 82 6.016 9.253 10.735 1.00 42.33 C ATOM 1355 C ALA A 82 6.518 10.563 10.106 1.00 74.15 C ATOM 1356 O ALA A 82 7.211 11.352 10.752 1.00 62.24 O ATOM 1357 CB ALA A 82 6.735 8.057 10.118 1.00 60.34 C ATOM 0 H ALA A 82 4.278 8.347 9.968 1.00 42.52 H new ATOM 0 HA ALA A 82 6.239 9.285 11.801 1.00 42.33 H new ATOM 0 HB1 ALA A 82 7.811 8.176 10.241 1.00 60.34 H new ATOM 0 HB2 ALA A 82 6.412 7.142 10.615 1.00 60.34 H new ATOM 0 HB3 ALA A 82 6.496 7.997 9.056 1.00 60.34 H new ATOM 1363 N VAL A 83 6.149 10.792 8.843 1.00 21.24 N ATOM 1364 CA VAL A 83 6.516 12.026 8.131 1.00 52.34 C ATOM 1365 C VAL A 83 6.071 13.271 8.917 1.00 2.51 C ATOM 1366 O VAL A 83 6.736 14.309 8.894 1.00 12.21 O ATOM 1367 CB VAL A 83 5.897 12.060 6.707 1.00 35.41 C ATOM 1368 CG1 VAL A 83 6.282 13.341 5.969 1.00 44.21 C ATOM 1369 CG2 VAL A 83 6.319 10.830 5.903 1.00 4.23 C ATOM 0 H VAL A 83 5.595 10.139 8.289 1.00 21.24 H new ATOM 0 HA VAL A 83 7.602 12.035 8.041 1.00 52.34 H new ATOM 0 HB VAL A 83 4.812 12.046 6.815 1.00 35.41 H new ATOM 0 HG11 VAL A 83 5.834 13.337 4.975 1.00 44.21 H new ATOM 0 HG12 VAL A 83 5.920 14.205 6.526 1.00 44.21 H new ATOM 0 HG13 VAL A 83 7.367 13.397 5.878 1.00 44.21 H new ATOM 0 HG21 VAL A 83 5.874 10.875 4.909 1.00 4.23 H new ATOM 0 HG22 VAL A 83 7.405 10.809 5.814 1.00 4.23 H new ATOM 0 HG23 VAL A 83 5.979 9.928 6.412 1.00 4.23 H new ATOM 1379 N ALA A 84 4.944 13.151 9.619 1.00 32.24 N ATOM 1380 CA ALA A 84 4.466 14.213 10.510 1.00 63.12 C ATOM 1381 C ALA A 84 5.501 14.536 11.601 1.00 63.10 C ATOM 1382 O ALA A 84 5.802 15.700 11.861 1.00 5.13 O ATOM 1383 CB ALA A 84 3.139 13.813 11.142 1.00 72.14 C ATOM 0 H ALA A 84 4.343 12.328 9.589 1.00 32.24 H new ATOM 0 HA ALA A 84 4.318 15.112 9.912 1.00 63.12 H new ATOM 0 HB1 ALA A 84 2.795 14.610 11.801 1.00 72.14 H new ATOM 0 HB2 ALA A 84 2.399 13.645 10.359 1.00 72.14 H new ATOM 0 HB3 ALA A 84 3.272 12.897 11.718 1.00 72.14 H new ATOM 1389 N ASN A 85 6.060 13.495 12.225 1.00 53.53 N ATOM 1390 CA ASN A 85 7.089 13.678 13.259 1.00 62.10 C ATOM 1391 C ASN A 85 8.378 14.256 12.655 1.00 23.10 C ATOM 1392 O ASN A 85 9.092 15.022 13.306 1.00 73.22 O ATOM 1393 CB ASN A 85 7.382 12.353 13.976 1.00 64.03 C ATOM 1394 CG ASN A 85 6.208 11.880 14.816 1.00 73.33 C ATOM 1395 OD1 ASN A 85 5.421 12.678 15.316 1.00 31.52 O ATOM 1396 ND2 ASN A 85 6.082 10.582 14.991 1.00 22.15 N ATOM 0 H ASN A 85 5.821 12.522 12.036 1.00 53.53 H new ATOM 0 HA ASN A 85 6.705 14.389 13.991 1.00 62.10 H new ATOM 0 HB2 ASN A 85 7.629 11.590 13.238 1.00 64.03 H new ATOM 0 HB3 ASN A 85 8.257 12.474 14.614 1.00 64.03 H new ATOM 0 HD21 ASN A 85 5.315 10.215 15.555 1.00 22.15 H new ATOM 0 HD22 ASN A 85 6.751 9.942 14.563 1.00 22.15 H new ATOM 1403 N ALA A 86 8.659 13.903 11.401 1.00 42.40 N ATOM 1404 CA ALA A 86 9.819 14.443 10.683 1.00 25.30 C ATOM 1405 C ALA A 86 9.741 15.974 10.533 1.00 33.54 C ATOM 1406 O ALA A 86 10.754 16.642 10.332 1.00 51.43 O ATOM 1407 CB ALA A 86 9.942 13.790 9.312 1.00 42.21 C ATOM 0 H ALA A 86 8.100 13.245 10.858 1.00 42.40 H new ATOM 0 HA ALA A 86 10.705 14.213 11.275 1.00 25.30 H new ATOM 0 HB1 ALA A 86 10.807 14.200 8.790 1.00 42.21 H new ATOM 0 HB2 ALA A 86 10.067 12.714 9.431 1.00 42.21 H new ATOM 0 HB3 ALA A 86 9.041 13.989 8.732 1.00 42.21 H new ATOM 1413 N ALA A 87 8.529 16.523 10.625 1.00 61.54 N ATOM 1414 CA ALA A 87 8.327 17.974 10.539 1.00 45.22 C ATOM 1415 C ALA A 87 8.716 18.682 11.849 1.00 24.41 C ATOM 1416 O ALA A 87 8.857 19.908 11.887 1.00 53.13 O ATOM 1417 CB ALA A 87 6.879 18.280 10.176 1.00 72.11 C ATOM 0 H ALA A 87 7.672 15.987 10.759 1.00 61.54 H new ATOM 0 HA ALA A 87 8.980 18.357 9.755 1.00 45.22 H new ATOM 0 HB1 ALA A 87 6.740 19.359 10.115 1.00 72.11 H new ATOM 0 HB2 ALA A 87 6.642 17.828 9.213 1.00 72.11 H new ATOM 0 HB3 ALA A 87 6.218 17.872 10.941 1.00 72.11 H new ATOM 1423 N CYS A 88 8.891 17.902 12.917 1.00 21.45 N ATOM 1424 CA CYS A 88 9.292 18.443 14.226 1.00 61.11 C ATOM 1425 C CYS A 88 10.820 18.565 14.345 1.00 53.54 C ATOM 1426 O CYS A 88 11.339 19.109 15.326 1.00 34.43 O ATOM 1427 CB CYS A 88 8.760 17.548 15.354 1.00 63.05 C ATOM 1428 SG CYS A 88 9.204 18.104 17.017 1.00 25.14 S ATOM 0 H CYS A 88 8.762 16.890 12.905 1.00 21.45 H new ATOM 0 HA CYS A 88 8.863 19.441 14.314 1.00 61.11 H new ATOM 0 HB2 CYS A 88 7.674 17.496 15.279 1.00 63.05 H new ATOM 0 HB3 CYS A 88 9.139 16.536 15.209 1.00 63.05 H new ATOM 0 HG CYS A 88 10.296 18.807 16.962 1.00 25.14 H new ATOM 1434 N LEU A 89 11.530 18.051 13.345 1.00 24.13 N ATOM 1435 CA LEU A 89 12.997 18.108 13.315 1.00 32.42 C ATOM 1436 C LEU A 89 13.502 19.535 13.022 1.00 53.33 C ATOM 1437 O LEU A 89 12.780 20.350 12.445 1.00 4.00 O ATOM 1438 CB LEU A 89 13.534 17.133 12.253 1.00 71.11 C ATOM 1439 CG LEU A 89 13.172 15.655 12.476 1.00 23.43 C ATOM 1440 CD1 LEU A 89 13.731 14.788 11.353 1.00 61.42 C ATOM 1441 CD2 LEU A 89 13.671 15.170 13.837 1.00 52.02 C ATOM 0 H LEU A 89 11.114 17.586 12.538 1.00 24.13 H new ATOM 0 HA LEU A 89 13.366 17.819 14.299 1.00 32.42 H new ATOM 0 HB2 LEU A 89 13.156 17.440 11.278 1.00 71.11 H new ATOM 0 HB3 LEU A 89 14.620 17.223 12.217 1.00 71.11 H new ATOM 0 HG LEU A 89 12.086 15.567 12.466 1.00 23.43 H new ATOM 0 HD11 LEU A 89 13.464 13.746 11.530 1.00 61.42 H new ATOM 0 HD12 LEU A 89 13.313 15.113 10.400 1.00 61.42 H new ATOM 0 HD13 LEU A 89 14.816 14.884 11.325 1.00 61.42 H new ATOM 0 HD21 LEU A 89 13.403 14.122 13.971 1.00 52.02 H new ATOM 0 HD22 LEU A 89 14.755 15.276 13.886 1.00 52.02 H new ATOM 0 HD23 LEU A 89 13.212 15.766 14.626 1.00 52.02 H new ATOM 1453 N PRO A 90 14.756 19.856 13.407 1.00 75.32 N ATOM 1454 CA PRO A 90 15.333 21.201 13.187 1.00 55.43 C ATOM 1455 C PRO A 90 15.518 21.543 11.698 1.00 14.43 C ATOM 1456 O PRO A 90 15.717 22.705 11.333 1.00 1.24 O ATOM 1457 CB PRO A 90 16.695 21.124 13.895 1.00 61.23 C ATOM 1458 CG PRO A 90 17.026 19.667 13.931 1.00 41.32 C ATOM 1459 CD PRO A 90 15.711 18.953 14.081 1.00 14.12 C ATOM 0 HA PRO A 90 14.678 21.984 13.568 1.00 55.43 H new ATOM 0 HB2 PRO A 90 17.454 21.689 13.354 1.00 61.23 H new ATOM 0 HB3 PRO A 90 16.642 21.542 14.900 1.00 61.23 H new ATOM 0 HG2 PRO A 90 17.537 19.359 13.018 1.00 41.32 H new ATOM 0 HG3 PRO A 90 17.693 19.438 14.762 1.00 41.32 H new ATOM 0 HD2 PRO A 90 15.732 17.968 13.614 1.00 14.12 H new ATOM 0 HD3 PRO A 90 15.452 18.803 15.129 1.00 14.12 H new ATOM 1467 N GLU A 91 15.449 20.528 10.842 1.00 45.25 N ATOM 1468 CA GLU A 91 15.620 20.714 9.399 1.00 44.13 C ATOM 1469 C GLU A 91 14.400 20.198 8.622 1.00 11.12 C ATOM 1470 O GLU A 91 13.753 19.230 9.024 1.00 35.12 O ATOM 1471 CB GLU A 91 16.885 19.985 8.920 1.00 22.32 C ATOM 1472 CG GLU A 91 16.773 18.462 8.964 1.00 13.02 C ATOM 1473 CD GLU A 91 18.092 17.762 8.684 1.00 44.01 C ATOM 1474 OE1 GLU A 91 18.874 17.561 9.637 1.00 72.34 O ATOM 1475 OE2 GLU A 91 18.351 17.410 7.515 1.00 43.31 O ATOM 0 H GLU A 91 15.275 19.563 11.121 1.00 45.25 H new ATOM 0 HA GLU A 91 15.720 21.782 9.208 1.00 44.13 H new ATOM 0 HB2 GLU A 91 17.106 20.294 7.899 1.00 22.32 H new ATOM 0 HB3 GLU A 91 17.728 20.296 9.537 1.00 22.32 H new ATOM 0 HG2 GLU A 91 16.408 18.158 9.945 1.00 13.02 H new ATOM 0 HG3 GLU A 91 16.033 18.136 8.233 1.00 13.02 H new ATOM 1482 N LEU A 92 14.088 20.855 7.511 1.00 34.44 N ATOM 1483 CA LEU A 92 13.011 20.402 6.622 1.00 72.52 C ATOM 1484 C LEU A 92 13.579 19.423 5.575 1.00 1.14 C ATOM 1485 O LEU A 92 12.840 18.722 4.884 1.00 24.52 O ATOM 1486 CB LEU A 92 12.350 21.623 5.939 1.00 54.41 C ATOM 1487 CG LEU A 92 10.843 21.499 5.606 1.00 64.12 C ATOM 1488 CD1 LEU A 92 10.589 20.511 4.468 1.00 51.41 C ATOM 1489 CD2 LEU A 92 10.047 21.100 6.850 1.00 53.23 C ATOM 0 H LEU A 92 14.562 21.703 7.200 1.00 34.44 H new ATOM 0 HA LEU A 92 12.250 19.880 7.203 1.00 72.52 H new ATOM 0 HB2 LEU A 92 12.486 22.490 6.585 1.00 54.41 H new ATOM 0 HB3 LEU A 92 12.888 21.828 5.013 1.00 54.41 H new ATOM 0 HG LEU A 92 10.503 22.479 5.270 1.00 64.12 H new ATOM 0 HD11 LEU A 92 9.519 20.455 4.267 1.00 51.41 H new ATOM 0 HD12 LEU A 92 11.109 20.847 3.571 1.00 51.41 H new ATOM 0 HD13 LEU A 92 10.957 19.525 4.753 1.00 51.41 H new ATOM 0 HD21 LEU A 92 8.990 21.018 6.595 1.00 53.23 H new ATOM 0 HD22 LEU A 92 10.407 20.140 7.220 1.00 53.23 H new ATOM 0 HD23 LEU A 92 10.176 21.858 7.623 1.00 53.23 H new ATOM 1501 N ILE A 93 14.910 19.357 5.505 1.00 61.13 N ATOM 1502 CA ILE A 93 15.611 18.572 4.481 1.00 21.42 C ATOM 1503 C ILE A 93 15.200 17.088 4.506 1.00 60.30 C ATOM 1504 O ILE A 93 14.718 16.556 3.505 1.00 74.42 O ATOM 1505 CB ILE A 93 17.149 18.678 4.657 1.00 42.14 C ATOM 1506 CG1 ILE A 93 17.567 20.143 4.885 1.00 41.43 C ATOM 1507 CG2 ILE A 93 17.871 18.093 3.444 1.00 31.22 C ATOM 1508 CD1 ILE A 93 17.121 21.090 3.793 1.00 20.21 C ATOM 0 H ILE A 93 15.532 19.843 6.152 1.00 61.13 H new ATOM 0 HA ILE A 93 15.323 18.992 3.517 1.00 21.42 H new ATOM 0 HB ILE A 93 17.435 18.100 5.535 1.00 42.14 H new ATOM 0 HG12 ILE A 93 17.156 20.483 5.836 1.00 41.43 H new ATOM 0 HG13 ILE A 93 18.653 20.191 4.971 1.00 41.43 H new ATOM 0 HG21 ILE A 93 18.948 18.177 3.587 1.00 31.22 H new ATOM 0 HG22 ILE A 93 17.600 17.043 3.331 1.00 31.22 H new ATOM 0 HG23 ILE A 93 17.580 18.641 2.548 1.00 31.22 H new ATOM 0 HD11 ILE A 93 17.455 22.100 4.029 1.00 20.21 H new ATOM 0 HD12 ILE A 93 17.553 20.778 2.842 1.00 20.21 H new ATOM 0 HD13 ILE A 93 16.034 21.075 3.720 1.00 20.21 H new ATOM 1520 N LEU A 94 15.381 16.427 5.651 1.00 54.33 N ATOM 1521 CA LEU A 94 14.966 15.024 5.804 1.00 50.04 C ATOM 1522 C LEU A 94 13.456 14.856 5.552 1.00 44.32 C ATOM 1523 O LEU A 94 13.024 13.891 4.916 1.00 41.21 O ATOM 1524 CB LEU A 94 15.339 14.498 7.202 1.00 52.41 C ATOM 1525 CG LEU A 94 14.898 13.050 7.506 1.00 72.23 C ATOM 1526 CD1 LEU A 94 15.414 12.081 6.442 1.00 50.44 C ATOM 1527 CD2 LEU A 94 15.374 12.620 8.893 1.00 71.32 C ATOM 0 H LEU A 94 15.809 16.834 6.483 1.00 54.33 H new ATOM 0 HA LEU A 94 15.499 14.437 5.056 1.00 50.04 H new ATOM 0 HB2 LEU A 94 16.421 14.562 7.319 1.00 52.41 H new ATOM 0 HB3 LEU A 94 14.898 15.158 7.949 1.00 52.41 H new ATOM 0 HG LEU A 94 13.808 13.024 7.489 1.00 72.23 H new ATOM 0 HD11 LEU A 94 15.088 11.069 6.683 1.00 50.44 H new ATOM 0 HD12 LEU A 94 15.019 12.367 5.467 1.00 50.44 H new ATOM 0 HD13 LEU A 94 16.503 12.115 6.417 1.00 50.44 H new ATOM 0 HD21 LEU A 94 15.053 11.597 9.087 1.00 71.32 H new ATOM 0 HD22 LEU A 94 16.462 12.673 8.937 1.00 71.32 H new ATOM 0 HD23 LEU A 94 14.948 13.283 9.646 1.00 71.32 H new ATOM 1539 N HIS A 95 12.656 15.807 6.042 1.00 63.01 N ATOM 1540 CA HIS A 95 11.209 15.790 5.805 1.00 54.41 C ATOM 1541 C HIS A 95 10.904 15.798 4.296 1.00 51.22 C ATOM 1542 O HIS A 95 9.960 15.153 3.840 1.00 1.41 O ATOM 1543 CB HIS A 95 10.545 16.993 6.487 1.00 10.55 C ATOM 1544 CG HIS A 95 9.042 16.972 6.446 1.00 71.23 C ATOM 1545 ND1 HIS A 95 8.287 17.777 5.612 1.00 63.15 N ATOM 1546 CD2 HIS A 95 8.149 16.235 7.150 1.00 64.11 C ATOM 1547 CE1 HIS A 95 7.005 17.534 5.809 1.00 52.43 C ATOM 1548 NE2 HIS A 95 6.896 16.606 6.731 1.00 73.34 N ATOM 0 H HIS A 95 12.983 16.594 6.602 1.00 63.01 H new ATOM 0 HA HIS A 95 10.802 14.874 6.233 1.00 54.41 H new ATOM 0 HB2 HIS A 95 10.869 17.031 7.527 1.00 10.55 H new ATOM 0 HB3 HIS A 95 10.898 17.907 6.010 1.00 10.55 H new ATOM 0 HD1 HIS A 95 8.663 18.454 4.948 1.00 63.15 H new ATOM 0 HD2 HIS A 95 8.380 15.494 7.901 1.00 64.11 H new ATOM 0 HE1 HIS A 95 6.185 18.017 5.298 1.00 52.43 H new ATOM 1557 N ASN A 96 11.712 16.535 3.533 1.00 3.42 N ATOM 1558 CA ASN A 96 11.592 16.576 2.073 1.00 35.31 C ATOM 1559 C ASN A 96 12.004 15.232 1.445 1.00 30.22 C ATOM 1560 O ASN A 96 11.251 14.637 0.671 1.00 42.20 O ATOM 1561 CB ASN A 96 12.457 17.711 1.506 1.00 63.31 C ATOM 1562 CG ASN A 96 12.391 17.802 -0.010 1.00 15.13 C ATOM 1563 OD1 ASN A 96 11.376 17.490 -0.623 1.00 32.34 O ATOM 1564 ND2 ASN A 96 13.470 18.232 -0.630 1.00 63.40 N ATOM 0 H ASN A 96 12.463 17.117 3.905 1.00 3.42 H new ATOM 0 HA ASN A 96 10.548 16.761 1.822 1.00 35.31 H new ATOM 0 HB2 ASN A 96 12.133 18.658 1.937 1.00 63.31 H new ATOM 0 HB3 ASN A 96 13.492 17.560 1.811 1.00 63.31 H new ATOM 0 HD21 ASN A 96 13.476 18.313 -1.647 1.00 63.40 H new ATOM 0 HD22 ASN A 96 14.300 18.484 -0.094 1.00 63.40 H new ATOM 1571 N LYS A 97 13.196 14.754 1.807 1.00 13.34 N ATOM 1572 CA LYS A 97 13.732 13.491 1.276 1.00 50.15 C ATOM 1573 C LYS A 97 12.705 12.348 1.350 1.00 60.43 C ATOM 1574 O LYS A 97 12.448 11.662 0.358 1.00 41.32 O ATOM 1575 CB LYS A 97 14.990 13.075 2.053 1.00 35.34 C ATOM 1576 CG LYS A 97 16.161 14.045 1.941 1.00 3.41 C ATOM 1577 CD LYS A 97 17.384 13.523 2.698 1.00 13.22 C ATOM 1578 CE LYS A 97 18.559 14.490 2.632 1.00 45.14 C ATOM 1579 NZ LYS A 97 19.011 14.736 1.238 1.00 44.11 N ATOM 0 H LYS A 97 13.814 15.223 2.469 1.00 13.34 H new ATOM 0 HA LYS A 97 13.976 13.669 0.229 1.00 50.15 H new ATOM 0 HB2 LYS A 97 14.729 12.962 3.105 1.00 35.34 H new ATOM 0 HB3 LYS A 97 15.312 12.096 1.698 1.00 35.34 H new ATOM 0 HG2 LYS A 97 16.415 14.193 0.891 1.00 3.41 H new ATOM 0 HG3 LYS A 97 15.871 15.017 2.339 1.00 3.41 H new ATOM 0 HD2 LYS A 97 17.117 13.350 3.740 1.00 13.22 H new ATOM 0 HD3 LYS A 97 17.684 12.561 2.281 1.00 13.22 H new ATOM 0 HE2 LYS A 97 18.274 15.436 3.091 1.00 45.14 H new ATOM 0 HE3 LYS A 97 19.389 14.090 3.215 1.00 45.14 H new ATOM 0 HZ1 LYS A 97 19.892 15.289 1.251 1.00 44.11 H new ATOM 0 HZ2 LYS A 97 19.180 13.827 0.762 1.00 44.11 H new ATOM 0 HZ3 LYS A 97 18.278 15.265 0.724 1.00 44.11 H new ATOM 1593 N MET A 98 12.131 12.145 2.533 1.00 60.13 N ATOM 1594 CA MET A 98 11.214 11.022 2.764 1.00 61.00 C ATOM 1595 C MET A 98 9.833 11.244 2.112 1.00 54.04 C ATOM 1596 O MET A 98 9.202 10.291 1.653 1.00 13.33 O ATOM 1597 CB MET A 98 11.063 10.768 4.272 1.00 70.12 C ATOM 1598 CG MET A 98 10.423 11.920 5.038 1.00 0.43 C ATOM 1599 SD MET A 98 10.529 11.715 6.828 1.00 71.45 S ATOM 1600 CE MET A 98 9.825 10.081 7.041 1.00 34.44 C ATOM 0 H MET A 98 12.281 12.740 3.348 1.00 60.13 H new ATOM 0 HA MET A 98 11.650 10.143 2.289 1.00 61.00 H new ATOM 0 HB2 MET A 98 10.463 9.870 4.420 1.00 70.12 H new ATOM 0 HB3 MET A 98 12.047 10.567 4.696 1.00 70.12 H new ATOM 0 HG2 MET A 98 10.909 12.853 4.754 1.00 0.43 H new ATOM 0 HG3 MET A 98 9.376 12.005 4.748 1.00 0.43 H new ATOM 0 HE1 MET A 98 9.150 10.084 7.897 1.00 34.44 H new ATOM 0 HE2 MET A 98 9.272 9.803 6.144 1.00 34.44 H new ATOM 0 HE3 MET A 98 10.624 9.360 7.212 1.00 34.44 H new ATOM 1610 N LYS A 99 9.366 12.496 2.049 1.00 54.44 N ATOM 1611 CA LYS A 99 8.030 12.778 1.504 1.00 64.35 C ATOM 1612 C LYS A 99 8.000 12.623 -0.027 1.00 31.34 C ATOM 1613 O LYS A 99 6.997 12.189 -0.586 1.00 60.43 O ATOM 1614 CB LYS A 99 7.533 14.180 1.904 1.00 2.33 C ATOM 1615 CG LYS A 99 8.278 15.330 1.235 1.00 33.42 C ATOM 1616 CD LYS A 99 7.692 16.688 1.623 1.00 5.23 C ATOM 1617 CE LYS A 99 6.263 16.858 1.114 1.00 3.21 C ATOM 1618 NZ LYS A 99 5.658 18.138 1.568 1.00 2.52 N ATOM 0 H LYS A 99 9.882 13.318 2.362 1.00 54.44 H new ATOM 0 HA LYS A 99 7.354 12.041 1.939 1.00 64.35 H new ATOM 0 HB2 LYS A 99 6.474 14.259 1.660 1.00 2.33 H new ATOM 0 HB3 LYS A 99 7.620 14.288 2.985 1.00 2.33 H new ATOM 0 HG2 LYS A 99 9.330 15.294 1.517 1.00 33.42 H new ATOM 0 HG3 LYS A 99 8.234 15.211 0.152 1.00 33.42 H new ATOM 0 HD2 LYS A 99 7.706 16.793 2.708 1.00 5.23 H new ATOM 0 HD3 LYS A 99 8.319 17.483 1.218 1.00 5.23 H new ATOM 0 HE2 LYS A 99 6.260 16.822 0.025 1.00 3.21 H new ATOM 0 HE3 LYS A 99 5.653 16.025 1.463 1.00 3.21 H new ATOM 0 HZ1 LYS A 99 4.688 18.213 1.200 1.00 2.52 H new ATOM 0 HZ2 LYS A 99 5.637 18.163 2.607 1.00 2.52 H new ATOM 0 HZ3 LYS A 99 6.225 18.935 1.214 1.00 2.52 H new ATOM 1632 N ARG A 100 9.100 12.969 -0.702 1.00 11.24 N ATOM 1633 CA ARG A 100 9.168 12.862 -2.169 1.00 5.05 C ATOM 1634 C ARG A 100 8.942 11.415 -2.641 1.00 64.31 C ATOM 1635 O ARG A 100 8.059 11.148 -3.460 1.00 5.31 O ATOM 1636 CB ARG A 100 10.514 13.372 -2.697 1.00 3.23 C ATOM 1637 CG ARG A 100 10.790 14.837 -2.380 1.00 12.52 C ATOM 1638 CD ARG A 100 12.078 15.320 -3.034 1.00 2.04 C ATOM 1639 NE ARG A 100 13.212 14.443 -2.742 1.00 32.24 N ATOM 1640 CZ ARG A 100 14.411 14.613 -3.228 1.00 52.52 C ATOM 1641 NH1 ARG A 100 14.677 15.621 -3.996 1.00 54.21 N ATOM 1642 NH2 ARG A 100 15.341 13.764 -2.942 1.00 21.24 N ATOM 0 H ARG A 100 9.951 13.323 -0.264 1.00 11.24 H new ATOM 0 HA ARG A 100 8.370 13.486 -2.571 1.00 5.05 H new ATOM 0 HB2 ARG A 100 11.313 12.763 -2.274 1.00 3.23 H new ATOM 0 HB3 ARG A 100 10.545 13.233 -3.778 1.00 3.23 H new ATOM 0 HG2 ARG A 100 9.955 15.448 -2.724 1.00 12.52 H new ATOM 0 HG3 ARG A 100 10.858 14.970 -1.300 1.00 12.52 H new ATOM 0 HD2 ARG A 100 11.935 15.378 -4.113 1.00 2.04 H new ATOM 0 HD3 ARG A 100 12.303 16.329 -2.687 1.00 2.04 H new ATOM 0 HE ARG A 100 13.056 13.650 -2.120 1.00 32.24 H new ATOM 0 HH11 ARG A 100 13.945 16.293 -4.227 1.00 54.21 H new ATOM 0 HH12 ARG A 100 15.618 15.743 -4.370 1.00 54.21 H new ATOM 0 HH21 ARG A 100 15.136 12.967 -2.340 1.00 21.24 H new ATOM 0 HH22 ARG A 100 16.281 13.891 -3.318 1.00 21.24 H new ATOM 1656 N GLU A 101 9.733 10.482 -2.113 1.00 53.24 N ATOM 1657 CA GLU A 101 9.592 9.067 -2.476 1.00 62.42 C ATOM 1658 C GLU A 101 8.246 8.501 -1.990 1.00 50.33 C ATOM 1659 O GLU A 101 7.710 7.556 -2.574 1.00 74.21 O ATOM 1660 CB GLU A 101 10.763 8.243 -1.924 1.00 32.42 C ATOM 1661 CG GLU A 101 10.914 8.297 -0.410 1.00 62.43 C ATOM 1662 CD GLU A 101 12.065 7.434 0.083 1.00 23.22 C ATOM 1663 OE1 GLU A 101 13.214 7.921 0.095 1.00 62.03 O ATOM 1664 OE2 GLU A 101 11.830 6.263 0.439 1.00 30.35 O ATOM 0 H GLU A 101 10.473 10.675 -1.438 1.00 53.24 H new ATOM 0 HA GLU A 101 9.610 8.997 -3.564 1.00 62.42 H new ATOM 0 HB2 GLU A 101 10.634 7.204 -2.227 1.00 32.42 H new ATOM 0 HB3 GLU A 101 11.687 8.596 -2.382 1.00 32.42 H new ATOM 0 HG2 GLU A 101 11.077 9.329 -0.099 1.00 62.43 H new ATOM 0 HG3 GLU A 101 9.987 7.966 0.058 1.00 62.43 H new ATOM 1671 N LEU A 102 7.702 9.087 -0.920 1.00 75.22 N ATOM 1672 CA LEU A 102 6.352 8.752 -0.453 1.00 54.20 C ATOM 1673 C LEU A 102 5.293 9.197 -1.475 1.00 63.41 C ATOM 1674 O LEU A 102 4.329 8.479 -1.739 1.00 13.13 O ATOM 1675 CB LEU A 102 6.078 9.406 0.909 1.00 3.34 C ATOM 1676 CG LEU A 102 4.690 9.123 1.508 1.00 34.13 C ATOM 1677 CD1 LEU A 102 4.491 7.626 1.741 1.00 34.35 C ATOM 1678 CD2 LEU A 102 4.493 9.906 2.806 1.00 31.41 C ATOM 0 H LEU A 102 8.175 9.796 -0.360 1.00 75.22 H new ATOM 0 HA LEU A 102 6.291 7.669 -0.343 1.00 54.20 H new ATOM 0 HB2 LEU A 102 6.836 9.067 1.615 1.00 3.34 H new ATOM 0 HB3 LEU A 102 6.198 10.484 0.806 1.00 3.34 H new ATOM 0 HG LEU A 102 3.938 9.454 0.792 1.00 34.13 H new ATOM 0 HD11 LEU A 102 3.502 7.452 2.165 1.00 34.35 H new ATOM 0 HD12 LEU A 102 4.578 7.096 0.793 1.00 34.35 H new ATOM 0 HD13 LEU A 102 5.251 7.261 2.432 1.00 34.35 H new ATOM 0 HD21 LEU A 102 3.505 9.692 3.214 1.00 31.41 H new ATOM 0 HD22 LEU A 102 5.255 9.612 3.528 1.00 31.41 H new ATOM 0 HD23 LEU A 102 4.578 10.974 2.603 1.00 31.41 H new ATOM 1690 N GLN A 103 5.489 10.381 -2.065 1.00 13.13 N ATOM 1691 CA GLN A 103 4.566 10.892 -3.085 1.00 73.34 C ATOM 1692 C GLN A 103 4.543 9.971 -4.309 1.00 53.54 C ATOM 1693 O GLN A 103 3.516 9.817 -4.963 1.00 61.40 O ATOM 1694 CB GLN A 103 4.948 12.320 -3.501 1.00 21.20 C ATOM 1695 CG GLN A 103 4.816 13.347 -2.379 1.00 43.13 C ATOM 1696 CD GLN A 103 3.420 13.387 -1.778 1.00 74.23 C ATOM 1697 OE1 GLN A 103 2.555 14.131 -2.228 1.00 64.20 O ATOM 1698 NE2 GLN A 103 3.188 12.579 -0.761 1.00 64.22 N ATOM 0 H GLN A 103 6.272 11.000 -1.856 1.00 13.13 H new ATOM 0 HA GLN A 103 3.566 10.915 -2.651 1.00 73.34 H new ATOM 0 HB2 GLN A 103 5.977 12.320 -3.861 1.00 21.20 H new ATOM 0 HB3 GLN A 103 4.318 12.626 -4.336 1.00 21.20 H new ATOM 0 HG2 GLN A 103 5.538 13.117 -1.595 1.00 43.13 H new ATOM 0 HG3 GLN A 103 5.069 14.335 -2.765 1.00 43.13 H new ATOM 0 HE21 GLN A 103 3.930 11.973 -0.411 1.00 64.22 H new ATOM 0 HE22 GLN A 103 2.266 12.560 -0.324 1.00 64.22 H new ATOM 1707 N ARG A 104 5.687 9.360 -4.604 1.00 0.23 N ATOM 1708 CA ARG A 104 5.773 8.327 -5.642 1.00 31.12 C ATOM 1709 C ARG A 104 4.850 7.144 -5.320 1.00 60.35 C ATOM 1710 O ARG A 104 4.183 6.597 -6.199 1.00 63.32 O ATOM 1711 CB ARG A 104 7.221 7.839 -5.768 1.00 2.20 C ATOM 1712 CG ARG A 104 8.133 8.804 -6.513 1.00 32.35 C ATOM 1713 CD ARG A 104 7.757 8.878 -7.987 1.00 64.44 C ATOM 1714 NE ARG A 104 7.646 7.542 -8.582 1.00 74.32 N ATOM 1715 CZ ARG A 104 6.910 7.257 -9.621 1.00 64.21 C ATOM 1716 NH1 ARG A 104 6.249 8.183 -10.235 1.00 21.10 N ATOM 1717 NH2 ARG A 104 6.835 6.038 -10.043 1.00 20.33 N ATOM 0 H ARG A 104 6.572 9.561 -4.139 1.00 0.23 H new ATOM 0 HA ARG A 104 5.451 8.763 -6.588 1.00 31.12 H new ATOM 0 HB2 ARG A 104 7.625 7.669 -4.770 1.00 2.20 H new ATOM 0 HB3 ARG A 104 7.227 6.878 -6.282 1.00 2.20 H new ATOM 0 HG2 ARG A 104 8.063 9.795 -6.066 1.00 32.35 H new ATOM 0 HG3 ARG A 104 9.169 8.481 -6.414 1.00 32.35 H new ATOM 0 HD2 ARG A 104 6.809 9.406 -8.096 1.00 64.44 H new ATOM 0 HD3 ARG A 104 8.507 9.456 -8.526 1.00 64.44 H new ATOM 0 HE ARG A 104 8.180 6.785 -8.155 1.00 74.32 H new ATOM 0 HH11 ARG A 104 6.300 9.148 -9.908 1.00 21.10 H new ATOM 0 HH12 ARG A 104 5.677 7.949 -11.046 1.00 21.10 H new ATOM 0 HH21 ARG A 104 7.351 5.300 -9.564 1.00 20.33 H new ATOM 0 HH22 ARG A 104 6.260 5.814 -10.855 1.00 20.33 H new ATOM 1731 N VAL A 105 4.823 6.758 -4.048 1.00 11.11 N ATOM 1732 CA VAL A 105 3.948 5.683 -3.578 1.00 74.12 C ATOM 1733 C VAL A 105 2.469 6.081 -3.699 1.00 23.44 C ATOM 1734 O VAL A 105 1.671 5.377 -4.323 1.00 52.52 O ATOM 1735 CB VAL A 105 4.261 5.315 -2.105 1.00 11.20 C ATOM 1736 CG1 VAL A 105 3.346 4.199 -1.606 1.00 22.24 C ATOM 1737 CG2 VAL A 105 5.727 4.925 -1.950 1.00 32.01 C ATOM 0 H VAL A 105 5.400 7.175 -3.318 1.00 11.11 H new ATOM 0 HA VAL A 105 4.135 4.815 -4.210 1.00 74.12 H new ATOM 0 HB VAL A 105 4.073 6.196 -1.491 1.00 11.20 H new ATOM 0 HG11 VAL A 105 3.591 3.964 -0.570 1.00 22.24 H new ATOM 0 HG12 VAL A 105 2.308 4.524 -1.669 1.00 22.24 H new ATOM 0 HG13 VAL A 105 3.486 3.311 -2.222 1.00 22.24 H new ATOM 0 HG21 VAL A 105 5.928 4.670 -0.909 1.00 32.01 H new ATOM 0 HG22 VAL A 105 5.943 4.064 -2.583 1.00 32.01 H new ATOM 0 HG23 VAL A 105 6.359 5.762 -2.247 1.00 32.01 H new ATOM 1747 N GLU A 106 2.116 7.217 -3.107 1.00 62.34 N ATOM 1748 CA GLU A 106 0.732 7.703 -3.112 1.00 62.45 C ATOM 1749 C GLU A 106 0.216 7.982 -4.532 1.00 63.21 C ATOM 1750 O GLU A 106 -0.778 7.403 -4.956 1.00 2.35 O ATOM 1751 CB GLU A 106 0.613 8.972 -2.266 1.00 15.03 C ATOM 1752 CG GLU A 106 0.980 8.774 -0.802 1.00 71.32 C ATOM 1753 CD GLU A 106 0.723 10.022 0.028 1.00 10.32 C ATOM 1754 OE1 GLU A 106 -0.449 10.448 0.121 1.00 41.13 O ATOM 1755 OE2 GLU A 106 1.681 10.587 0.591 1.00 60.13 O ATOM 0 H GLU A 106 2.770 7.825 -2.614 1.00 62.34 H new ATOM 0 HA GLU A 106 0.116 6.912 -2.684 1.00 62.45 H new ATOM 0 HB2 GLU A 106 1.257 9.742 -2.691 1.00 15.03 H new ATOM 0 HB3 GLU A 106 -0.410 9.343 -2.327 1.00 15.03 H new ATOM 0 HG2 GLU A 106 0.404 7.943 -0.394 1.00 71.32 H new ATOM 0 HG3 GLU A 106 2.032 8.500 -0.727 1.00 71.32 H new ATOM 1762 N ASP A 107 0.904 8.859 -5.262 1.00 74.50 N ATOM 1763 CA ASP A 107 0.461 9.291 -6.597 1.00 5.33 C ATOM 1764 C ASP A 107 0.268 8.099 -7.558 1.00 62.04 C ATOM 1765 O ASP A 107 -0.618 8.115 -8.414 1.00 3.53 O ATOM 1766 CB ASP A 107 1.467 10.293 -7.175 1.00 50.21 C ATOM 1767 CG ASP A 107 0.954 10.984 -8.426 1.00 3.03 C ATOM 1768 OD1 ASP A 107 0.169 11.945 -8.298 1.00 41.53 O ATOM 1769 OD2 ASP A 107 1.343 10.580 -9.541 1.00 5.21 O ATOM 0 H ASP A 107 1.776 9.289 -4.953 1.00 74.50 H new ATOM 0 HA ASP A 107 -0.511 9.773 -6.489 1.00 5.33 H new ATOM 0 HB2 ASP A 107 1.700 11.044 -6.420 1.00 50.21 H new ATOM 0 HB3 ASP A 107 2.397 9.775 -7.407 1.00 50.21 H new ATOM 1774 N SER A 108 1.085 7.063 -7.398 1.00 11.22 N ATOM 1775 CA SER A 108 0.995 5.866 -8.246 1.00 51.44 C ATOM 1776 C SER A 108 -0.084 4.890 -7.756 1.00 63.42 C ATOM 1777 O SER A 108 -0.805 4.304 -8.552 1.00 64.44 O ATOM 1778 CB SER A 108 2.346 5.137 -8.299 1.00 14.14 C ATOM 1779 OG SER A 108 3.366 5.976 -8.824 1.00 61.11 O ATOM 0 H SER A 108 1.819 7.022 -6.691 1.00 11.22 H new ATOM 0 HA SER A 108 0.720 6.209 -9.243 1.00 51.44 H new ATOM 0 HB2 SER A 108 2.623 4.807 -7.298 1.00 14.14 H new ATOM 0 HB3 SER A 108 2.255 4.243 -8.915 1.00 14.14 H new ATOM 0 HG SER A 108 3.871 6.377 -8.086 1.00 61.11 H new ATOM 1785 N HIS A 109 -0.179 4.698 -6.442 1.00 11.22 N ATOM 1786 CA HIS A 109 -1.089 3.697 -5.872 1.00 60.43 C ATOM 1787 C HIS A 109 -2.513 4.230 -5.610 1.00 4.02 C ATOM 1788 O HIS A 109 -3.448 3.446 -5.473 1.00 74.33 O ATOM 1789 CB HIS A 109 -0.465 3.081 -4.619 1.00 50.11 C ATOM 1790 CG HIS A 109 0.839 2.409 -4.929 1.00 35.03 C ATOM 1791 ND1 HIS A 109 1.018 1.609 -6.040 1.00 35.44 N ATOM 1792 CD2 HIS A 109 2.042 2.453 -4.309 1.00 32.52 C ATOM 1793 CE1 HIS A 109 2.266 1.198 -6.092 1.00 3.44 C ATOM 1794 NE2 HIS A 109 2.911 1.692 -5.058 1.00 74.44 N ATOM 0 H HIS A 109 0.360 5.219 -5.750 1.00 11.22 H new ATOM 0 HA HIS A 109 -1.220 2.917 -6.622 1.00 60.43 H new ATOM 0 HB2 HIS A 109 -0.307 3.857 -3.871 1.00 50.11 H new ATOM 0 HB3 HIS A 109 -1.155 2.357 -4.186 1.00 50.11 H new ATOM 0 HD2 HIS A 109 2.276 2.985 -3.399 1.00 32.52 H new ATOM 0 HE1 HIS A 109 2.690 0.562 -6.855 1.00 3.44 H new ATOM 0 HE2 HIS A 109 3.896 1.536 -4.845 1.00 74.44 H new ATOM 1803 N GLN A 110 -2.677 5.552 -5.521 1.00 22.34 N ATOM 1804 CA GLN A 110 -4.010 6.160 -5.317 1.00 33.21 C ATOM 1805 C GLN A 110 -5.019 5.683 -6.381 1.00 72.00 C ATOM 1806 O GLN A 110 -6.220 5.573 -6.115 1.00 72.12 O ATOM 1807 CB GLN A 110 -3.924 7.696 -5.346 1.00 2.41 C ATOM 1808 CG GLN A 110 -3.351 8.263 -6.642 1.00 31.41 C ATOM 1809 CD GLN A 110 -3.508 9.770 -6.752 1.00 73.54 C ATOM 1810 OE1 GLN A 110 -2.565 10.515 -6.208 1.00 22.03 O flip ATOM 1811 NE2 GLN A 110 -4.484 10.265 -7.306 1.00 50.41 N flip ATOM 0 H GLN A 110 -1.913 6.225 -5.586 1.00 22.34 H new ATOM 0 HA GLN A 110 -4.361 5.838 -4.336 1.00 33.21 H new ATOM 0 HB2 GLN A 110 -4.921 8.108 -5.191 1.00 2.41 H new ATOM 0 HB3 GLN A 110 -3.308 8.031 -4.512 1.00 2.41 H new ATOM 0 HG2 GLN A 110 -2.293 8.008 -6.707 1.00 31.41 H new ATOM 0 HG3 GLN A 110 -3.846 7.789 -7.490 1.00 31.41 H new ATOM 0 HE21 GLN A 110 -5.197 9.663 -7.718 1.00 50.41 H new ATOM 0 HE22 GLN A 110 -4.583 11.279 -7.355 1.00 50.41 H new ATOM 1820 N ILE A 111 -4.519 5.396 -7.584 1.00 60.31 N ATOM 1821 CA ILE A 111 -5.362 4.913 -8.683 1.00 34.43 C ATOM 1822 C ILE A 111 -5.985 3.543 -8.363 1.00 64.02 C ATOM 1823 O ILE A 111 -7.010 3.174 -8.930 1.00 21.54 O ATOM 1824 CB ILE A 111 -4.562 4.818 -10.008 1.00 72.31 C ATOM 1825 CG1 ILE A 111 -3.437 3.777 -9.885 1.00 65.30 C ATOM 1826 CG2 ILE A 111 -4.002 6.191 -10.392 1.00 31.01 C ATOM 1827 CD1 ILE A 111 -2.531 3.698 -11.097 1.00 52.24 C ATOM 0 H ILE A 111 -3.532 5.489 -7.824 1.00 60.31 H new ATOM 0 HA ILE A 111 -6.164 5.641 -8.803 1.00 34.43 H new ATOM 0 HB ILE A 111 -5.236 4.493 -10.801 1.00 72.31 H new ATOM 0 HG12 ILE A 111 -2.833 4.012 -9.008 1.00 65.30 H new ATOM 0 HG13 ILE A 111 -3.881 2.797 -9.712 1.00 65.30 H new ATOM 0 HG21 ILE A 111 -3.443 6.108 -11.324 1.00 31.01 H new ATOM 0 HG22 ILE A 111 -4.823 6.895 -10.523 1.00 31.01 H new ATOM 0 HG23 ILE A 111 -3.340 6.548 -9.603 1.00 31.01 H new ATOM 0 HD11 ILE A 111 -1.765 2.941 -10.930 1.00 52.24 H new ATOM 0 HD12 ILE A 111 -3.120 3.431 -11.975 1.00 52.24 H new ATOM 0 HD13 ILE A 111 -2.056 4.665 -11.260 1.00 52.24 H new ATOM 1839 N LEU A 112 -5.367 2.800 -7.440 1.00 32.12 N ATOM 1840 CA LEU A 112 -5.896 1.500 -7.007 1.00 65.34 C ATOM 1841 C LEU A 112 -7.224 1.671 -6.258 1.00 62.22 C ATOM 1842 O LEU A 112 -8.093 0.805 -6.308 1.00 40.43 O ATOM 1843 CB LEU A 112 -4.884 0.770 -6.114 1.00 1.24 C ATOM 1844 CG LEU A 112 -3.516 0.485 -6.758 1.00 33.11 C ATOM 1845 CD1 LEU A 112 -2.603 -0.233 -5.771 1.00 12.32 C ATOM 1846 CD2 LEU A 112 -3.678 -0.330 -8.039 1.00 24.35 C ATOM 0 H LEU A 112 -4.500 3.075 -6.978 1.00 32.12 H new ATOM 0 HA LEU A 112 -6.073 0.900 -7.900 1.00 65.34 H new ATOM 0 HB2 LEU A 112 -4.725 1.364 -5.214 1.00 1.24 H new ATOM 0 HB3 LEU A 112 -5.322 -0.177 -5.798 1.00 1.24 H new ATOM 0 HG LEU A 112 -3.056 1.437 -7.022 1.00 33.11 H new ATOM 0 HD11 LEU A 112 -1.639 -0.427 -6.242 1.00 12.32 H new ATOM 0 HD12 LEU A 112 -2.457 0.392 -4.890 1.00 12.32 H new ATOM 0 HD13 LEU A 112 -3.059 -1.178 -5.474 1.00 12.32 H new ATOM 0 HD21 LEU A 112 -2.698 -0.519 -8.476 1.00 24.35 H new ATOM 0 HD22 LEU A 112 -4.161 -1.279 -7.808 1.00 24.35 H new ATOM 0 HD23 LEU A 112 -4.291 0.226 -8.749 1.00 24.35 H new ATOM 1858 N SER A 113 -7.371 2.790 -5.555 1.00 3.21 N ATOM 1859 CA SER A 113 -8.642 3.122 -4.899 1.00 73.40 C ATOM 1860 C SER A 113 -9.691 3.514 -5.946 1.00 15.11 C ATOM 1861 O SER A 113 -10.870 3.187 -5.815 1.00 14.33 O ATOM 1862 CB SER A 113 -8.454 4.263 -3.890 1.00 33.32 C ATOM 1863 OG SER A 113 -9.695 4.667 -3.324 1.00 43.31 O ATOM 0 H SER A 113 -6.633 3.482 -5.422 1.00 3.21 H new ATOM 0 HA SER A 113 -8.989 2.240 -4.360 1.00 73.40 H new ATOM 0 HB2 SER A 113 -7.779 3.942 -3.097 1.00 33.32 H new ATOM 0 HB3 SER A 113 -7.984 5.113 -4.384 1.00 33.32 H new ATOM 0 HG SER A 113 -9.542 5.394 -2.685 1.00 43.31 H new ATOM 1869 N GLN A 114 -9.242 4.201 -6.995 1.00 61.22 N ATOM 1870 CA GLN A 114 -10.111 4.576 -8.115 1.00 3.10 C ATOM 1871 C GLN A 114 -10.608 3.334 -8.875 1.00 51.10 C ATOM 1872 O GLN A 114 -11.790 3.230 -9.214 1.00 44.15 O ATOM 1873 CB GLN A 114 -9.364 5.509 -9.069 1.00 31.11 C ATOM 1874 CG GLN A 114 -8.902 6.808 -8.412 1.00 11.32 C ATOM 1875 CD GLN A 114 -8.254 7.767 -9.392 1.00 61.34 C ATOM 1876 OE1 GLN A 114 -8.706 7.750 -10.628 1.00 24.53 O flip ATOM 1877 NE2 GLN A 114 -7.362 8.531 -9.038 1.00 73.22 N flip ATOM 0 H GLN A 114 -8.276 4.512 -7.095 1.00 61.22 H new ATOM 0 HA GLN A 114 -10.980 5.095 -7.709 1.00 3.10 H new ATOM 0 HB2 GLN A 114 -8.496 4.986 -9.471 1.00 31.11 H new ATOM 0 HB3 GLN A 114 -10.012 5.748 -9.913 1.00 31.11 H new ATOM 0 HG2 GLN A 114 -9.757 7.297 -7.944 1.00 11.32 H new ATOM 0 HG3 GLN A 114 -8.194 6.575 -7.617 1.00 11.32 H new ATOM 0 HE21 GLN A 114 -7.034 8.519 -8.072 1.00 73.22 H new ATOM 0 HE22 GLN A 114 -6.948 9.178 -9.709 1.00 73.22 H new ATOM 1886 N THR A 115 -9.697 2.394 -9.130 1.00 11.54 N ATOM 1887 CA THR A 115 -10.030 1.149 -9.841 1.00 55.33 C ATOM 1888 C THR A 115 -10.868 0.204 -8.972 1.00 11.31 C ATOM 1889 O THR A 115 -11.915 -0.271 -9.402 1.00 10.02 O ATOM 1890 CB THR A 115 -8.764 0.395 -10.303 1.00 13.04 C ATOM 1891 OG1 THR A 115 -7.944 0.074 -9.170 1.00 23.43 O ATOM 1892 CG2 THR A 115 -7.957 1.224 -11.296 1.00 75.03 C ATOM 0 H THR A 115 -8.717 2.468 -8.855 1.00 11.54 H new ATOM 0 HA THR A 115 -10.610 1.450 -10.713 1.00 55.33 H new ATOM 0 HB THR A 115 -9.083 -0.522 -10.799 1.00 13.04 H new ATOM 0 HG1 THR A 115 -7.032 -0.121 -9.471 1.00 23.43 H new ATOM 0 HG21 THR A 115 -7.072 0.666 -11.602 1.00 75.03 H new ATOM 0 HG22 THR A 115 -8.570 1.441 -12.171 1.00 75.03 H new ATOM 0 HG23 THR A 115 -7.651 2.159 -10.826 1.00 75.03 H new ATOM 1900 N SER A 116 -10.397 -0.076 -7.753 1.00 24.44 N ATOM 1901 CA SER A 116 -11.156 -0.901 -6.793 1.00 33.52 C ATOM 1902 C SER A 116 -12.602 -0.407 -6.676 1.00 74.12 C ATOM 1903 O SER A 116 -13.555 -1.191 -6.720 1.00 71.34 O ATOM 1904 CB SER A 116 -10.498 -0.861 -5.406 1.00 5.31 C ATOM 1905 OG SER A 116 -10.547 0.441 -4.850 1.00 34.40 O ATOM 0 H SER A 116 -9.497 0.253 -7.403 1.00 24.44 H new ATOM 0 HA SER A 116 -11.155 -1.926 -7.165 1.00 33.52 H new ATOM 0 HB2 SER A 116 -11.003 -1.562 -4.741 1.00 5.31 H new ATOM 0 HB3 SER A 116 -9.461 -1.187 -5.484 1.00 5.31 H new ATOM 0 HG SER A 116 -10.427 0.387 -3.879 1.00 34.40 H new ATOM 1911 N HIS A 117 -12.748 0.906 -6.526 1.00 24.04 N ATOM 1912 CA HIS A 117 -14.055 1.561 -6.516 1.00 50.45 C ATOM 1913 C HIS A 117 -14.809 1.326 -7.838 1.00 55.41 C ATOM 1914 O HIS A 117 -15.966 0.913 -7.837 1.00 50.42 O ATOM 1915 CB HIS A 117 -13.863 3.064 -6.262 1.00 41.30 C ATOM 1916 CG HIS A 117 -15.136 3.835 -6.094 1.00 52.41 C ATOM 1917 ND1 HIS A 117 -15.769 3.982 -4.880 1.00 30.05 N ATOM 1918 CD2 HIS A 117 -15.886 4.521 -6.988 1.00 0.20 C ATOM 1919 CE1 HIS A 117 -16.847 4.720 -5.031 1.00 52.33 C ATOM 1920 NE2 HIS A 117 -16.942 5.061 -6.298 1.00 70.12 N ATOM 0 H HIS A 117 -11.964 1.548 -6.408 1.00 24.04 H new ATOM 0 HA HIS A 117 -14.659 1.130 -5.717 1.00 50.45 H new ATOM 0 HB2 HIS A 117 -13.254 3.193 -5.367 1.00 41.30 H new ATOM 0 HB3 HIS A 117 -13.302 3.491 -7.093 1.00 41.30 H new ATOM 0 HD2 HIS A 117 -15.690 4.624 -8.045 1.00 0.20 H new ATOM 0 HE1 HIS A 117 -17.537 4.999 -4.248 1.00 52.33 H new ATOM 0 HE2 HIS A 117 -17.682 5.635 -6.703 1.00 70.12 H new ATOM 1929 N ASP A 118 -14.131 1.565 -8.962 1.00 63.14 N ATOM 1930 CA ASP A 118 -14.758 1.488 -10.289 1.00 24.24 C ATOM 1931 C ASP A 118 -15.317 0.078 -10.573 1.00 2.34 C ATOM 1932 O ASP A 118 -16.451 -0.072 -11.040 1.00 35.10 O ATOM 1933 CB ASP A 118 -13.735 1.888 -11.360 1.00 61.53 C ATOM 1934 CG ASP A 118 -14.395 2.408 -12.622 1.00 33.55 C ATOM 1935 OD1 ASP A 118 -14.669 3.627 -12.690 1.00 62.34 O ATOM 1936 OD2 ASP A 118 -14.657 1.607 -13.542 1.00 33.34 O ATOM 0 H ASP A 118 -13.142 1.815 -8.983 1.00 63.14 H new ATOM 0 HA ASP A 118 -15.600 2.180 -10.313 1.00 24.24 H new ATOM 0 HB2 ASP A 118 -13.072 2.654 -10.958 1.00 61.53 H new ATOM 0 HB3 ASP A 118 -13.114 1.026 -11.606 1.00 61.53 H new ATOM 1941 N LEU A 119 -14.519 -0.945 -10.266 1.00 65.00 N ATOM 1942 CA LEU A 119 -14.926 -2.346 -10.442 1.00 31.14 C ATOM 1943 C LEU A 119 -16.173 -2.683 -9.606 1.00 30.12 C ATOM 1944 O LEU A 119 -16.983 -3.533 -9.983 1.00 34.34 O ATOM 1945 CB LEU A 119 -13.772 -3.280 -10.044 1.00 42.45 C ATOM 1946 CG LEU A 119 -12.466 -3.086 -10.832 1.00 5.44 C ATOM 1947 CD1 LEU A 119 -11.367 -3.999 -10.291 1.00 22.23 C ATOM 1948 CD2 LEU A 119 -12.694 -3.335 -12.320 1.00 42.44 C ATOM 0 H LEU A 119 -13.578 -0.831 -9.890 1.00 65.00 H new ATOM 0 HA LEU A 119 -15.174 -2.491 -11.494 1.00 31.14 H new ATOM 0 HB2 LEU A 119 -13.561 -3.139 -8.984 1.00 42.45 H new ATOM 0 HB3 LEU A 119 -14.102 -4.311 -10.169 1.00 42.45 H new ATOM 0 HG LEU A 119 -12.141 -2.053 -10.706 1.00 5.44 H new ATOM 0 HD11 LEU A 119 -10.452 -3.845 -10.863 1.00 22.23 H new ATOM 0 HD12 LEU A 119 -11.183 -3.765 -9.242 1.00 22.23 H new ATOM 0 HD13 LEU A 119 -11.681 -5.039 -10.381 1.00 22.23 H new ATOM 0 HD21 LEU A 119 -11.758 -3.193 -12.860 1.00 42.44 H new ATOM 0 HD22 LEU A 119 -13.047 -4.356 -12.468 1.00 42.44 H new ATOM 0 HD23 LEU A 119 -13.440 -2.635 -12.696 1.00 42.44 H new ATOM 1960 N ASN A 120 -16.331 -1.996 -8.477 1.00 12.23 N ATOM 1961 CA ASN A 120 -17.463 -2.232 -7.579 1.00 31.15 C ATOM 1962 C ASN A 120 -18.723 -1.545 -8.120 1.00 23.21 C ATOM 1963 O ASN A 120 -19.835 -2.054 -7.992 1.00 71.54 O ATOM 1964 CB ASN A 120 -17.120 -1.723 -6.174 1.00 5.11 C ATOM 1965 CG ASN A 120 -18.299 -1.773 -5.217 1.00 73.32 C ATOM 1966 OD1 ASN A 120 -18.533 -2.779 -4.553 1.00 62.42 O ATOM 1967 ND2 ASN A 120 -19.046 -0.688 -5.134 1.00 13.35 N ATOM 0 H ASN A 120 -15.689 -1.270 -8.160 1.00 12.23 H new ATOM 0 HA ASN A 120 -17.662 -3.302 -7.522 1.00 31.15 H new ATOM 0 HB2 ASN A 120 -16.304 -2.320 -5.767 1.00 5.11 H new ATOM 0 HB3 ASN A 120 -16.760 -0.697 -6.244 1.00 5.11 H new ATOM 0 HD21 ASN A 120 -19.847 -0.667 -4.503 1.00 13.35 H new ATOM 0 HD22 ASN A 120 -18.822 0.130 -5.701 1.00 13.35 H new ATOM 1974 N GLU A 121 -18.522 -0.389 -8.744 1.00 1.24 N ATOM 1975 CA GLU A 121 -19.610 0.372 -9.365 1.00 24.51 C ATOM 1976 C GLU A 121 -20.256 -0.419 -10.512 1.00 24.23 C ATOM 1977 O GLU A 121 -21.473 -0.391 -10.699 1.00 53.54 O ATOM 1978 CB GLU A 121 -19.056 1.699 -9.887 1.00 15.45 C ATOM 1979 CG GLU A 121 -18.316 2.499 -8.821 1.00 55.04 C ATOM 1980 CD GLU A 121 -19.239 3.064 -7.753 1.00 71.21 C ATOM 1981 OE1 GLU A 121 -19.876 4.106 -8.008 1.00 55.22 O ATOM 1982 OE2 GLU A 121 -19.328 2.468 -6.657 1.00 1.34 O ATOM 0 H GLU A 121 -17.605 0.049 -8.836 1.00 1.24 H new ATOM 0 HA GLU A 121 -20.380 0.560 -8.617 1.00 24.51 H new ATOM 0 HB2 GLU A 121 -18.380 1.501 -10.719 1.00 15.45 H new ATOM 0 HB3 GLU A 121 -19.877 2.300 -10.279 1.00 15.45 H new ATOM 0 HG2 GLU A 121 -17.570 1.860 -8.348 1.00 55.04 H new ATOM 0 HG3 GLU A 121 -17.778 3.318 -9.298 1.00 55.04 H new ATOM 1989 N CYS A 122 -19.424 -1.135 -11.272 1.00 22.24 N ATOM 1990 CA CYS A 122 -19.909 -2.010 -12.350 1.00 11.33 C ATOM 1991 C CYS A 122 -20.276 -3.403 -11.812 1.00 31.31 C ATOM 1992 O CYS A 122 -20.472 -4.343 -12.585 1.00 30.10 O ATOM 1993 CB CYS A 122 -18.844 -2.148 -13.447 1.00 41.40 C ATOM 1994 SG CYS A 122 -17.336 -2.993 -12.913 1.00 24.12 S ATOM 0 H CYS A 122 -18.410 -1.128 -11.163 1.00 22.24 H new ATOM 0 HA CYS A 122 -20.805 -1.553 -12.770 1.00 11.33 H new ATOM 0 HB2 CYS A 122 -19.273 -2.692 -14.288 1.00 41.40 H new ATOM 0 HB3 CYS A 122 -18.581 -1.154 -13.810 1.00 41.40 H new ATOM 0 HG CYS A 122 -17.420 -3.271 -11.646 1.00 24.12 H new ATOM 2000 N SER A 123 -20.351 -3.518 -10.478 1.00 61.40 N ATOM 2001 CA SER A 123 -20.740 -4.767 -9.785 1.00 61.41 C ATOM 2002 C SER A 123 -19.973 -5.999 -10.292 1.00 23.13 C ATOM 2003 O SER A 123 -20.477 -7.122 -10.228 1.00 13.23 O ATOM 2004 CB SER A 123 -22.261 -5.002 -9.891 1.00 51.15 C ATOM 2005 OG SER A 123 -22.686 -5.163 -11.238 1.00 32.32 O ATOM 0 H SER A 123 -20.144 -2.748 -9.842 1.00 61.40 H new ATOM 0 HA SER A 123 -20.469 -4.634 -8.738 1.00 61.41 H new ATOM 0 HB2 SER A 123 -22.531 -5.889 -9.318 1.00 51.15 H new ATOM 0 HB3 SER A 123 -22.789 -4.160 -9.443 1.00 51.15 H new ATOM 0 HG SER A 123 -21.920 -5.049 -11.839 1.00 32.32 H new ATOM 2011 N TRP A 124 -18.738 -5.789 -10.759 1.00 63.34 N ATOM 2012 CA TRP A 124 -17.895 -6.880 -11.269 1.00 24.23 C ATOM 2013 C TRP A 124 -18.610 -7.692 -12.364 1.00 44.53 C ATOM 2014 O TRP A 124 -18.652 -8.925 -12.335 1.00 33.23 O ATOM 2015 CB TRP A 124 -17.442 -7.785 -10.110 1.00 2.31 C ATOM 2016 CG TRP A 124 -16.381 -7.144 -9.263 1.00 44.50 C ATOM 2017 CD1 TRP A 124 -16.550 -6.170 -8.322 1.00 55.53 C ATOM 2018 CD2 TRP A 124 -14.982 -7.426 -9.301 1.00 13.04 C ATOM 2019 NE1 TRP A 124 -15.338 -5.827 -7.774 1.00 71.22 N ATOM 2020 CE2 TRP A 124 -14.359 -6.588 -8.360 1.00 43.31 C ATOM 2021 CE3 TRP A 124 -14.196 -8.310 -10.044 1.00 33.52 C ATOM 2022 CZ2 TRP A 124 -12.984 -6.609 -8.144 1.00 22.15 C ATOM 2023 CZ3 TRP A 124 -12.835 -8.330 -9.830 1.00 61.03 C ATOM 2024 CH2 TRP A 124 -12.240 -7.487 -8.887 1.00 32.23 C ATOM 0 H TRP A 124 -18.297 -4.870 -10.795 1.00 63.34 H new ATOM 0 HA TRP A 124 -17.013 -6.437 -11.730 1.00 24.23 H new ATOM 0 HB2 TRP A 124 -18.302 -8.030 -9.486 1.00 2.31 H new ATOM 0 HB3 TRP A 124 -17.063 -8.724 -10.513 1.00 2.31 H new ATOM 0 HD1 TRP A 124 -17.499 -5.733 -8.048 1.00 55.53 H new ATOM 0 HE1 TRP A 124 -15.191 -5.123 -7.051 1.00 71.22 H new ATOM 0 HE3 TRP A 124 -14.647 -8.966 -10.773 1.00 33.52 H new ATOM 0 HZ2 TRP A 124 -12.521 -5.957 -7.418 1.00 22.15 H new ATOM 0 HZ3 TRP A 124 -12.218 -9.008 -10.400 1.00 61.03 H new ATOM 0 HH2 TRP A 124 -11.171 -7.529 -8.741 1.00 32.23 H new ATOM 2035 N SER A 125 -19.168 -6.977 -13.336 1.00 24.12 N ATOM 2036 CA SER A 125 -19.860 -7.604 -14.468 1.00 23.34 C ATOM 2037 C SER A 125 -18.893 -8.360 -15.393 1.00 21.55 C ATOM 2038 O SER A 125 -18.102 -7.750 -16.118 1.00 32.10 O ATOM 2039 CB SER A 125 -20.621 -6.545 -15.274 1.00 3.15 C ATOM 2040 OG SER A 125 -21.661 -5.955 -14.504 1.00 22.04 O ATOM 0 H SER A 125 -19.157 -5.958 -13.366 1.00 24.12 H new ATOM 0 HA SER A 125 -20.561 -8.330 -14.055 1.00 23.34 H new ATOM 0 HB2 SER A 125 -19.929 -5.771 -15.606 1.00 3.15 H new ATOM 0 HB3 SER A 125 -21.043 -7.001 -16.170 1.00 3.15 H new ATOM 0 HG SER A 125 -21.271 -5.379 -13.814 1.00 22.04 H new ATOM 2046 N LEU A 126 -18.972 -9.693 -15.376 1.00 24.03 N ATOM 2047 CA LEU A 126 -18.161 -10.540 -16.265 1.00 34.30 C ATOM 2048 C LEU A 126 -18.353 -10.159 -17.738 1.00 30.14 C ATOM 2049 O LEU A 126 -17.439 -10.310 -18.552 1.00 74.12 O ATOM 2050 CB LEU A 126 -18.501 -12.028 -16.061 1.00 1.24 C ATOM 2051 CG LEU A 126 -17.751 -12.727 -14.912 1.00 0.33 C ATOM 2052 CD1 LEU A 126 -16.247 -12.706 -15.171 1.00 43.34 C ATOM 2053 CD2 LEU A 126 -18.081 -12.084 -13.565 1.00 15.22 C ATOM 0 H LEU A 126 -19.591 -10.214 -14.755 1.00 24.03 H new ATOM 0 HA LEU A 126 -17.116 -10.374 -16.004 1.00 34.30 H new ATOM 0 HB2 LEU A 126 -19.572 -12.117 -15.880 1.00 1.24 H new ATOM 0 HB3 LEU A 126 -18.289 -12.562 -16.988 1.00 1.24 H new ATOM 0 HG LEU A 126 -18.081 -13.765 -14.871 1.00 0.33 H new ATOM 0 HD11 LEU A 126 -15.730 -13.204 -14.351 1.00 43.34 H new ATOM 0 HD12 LEU A 126 -16.031 -13.226 -16.105 1.00 43.34 H new ATOM 0 HD13 LEU A 126 -15.905 -11.674 -15.243 1.00 43.34 H new ATOM 0 HD21 LEU A 126 -17.537 -12.599 -12.773 1.00 15.22 H new ATOM 0 HD22 LEU A 126 -17.790 -11.034 -13.582 1.00 15.22 H new ATOM 0 HD23 LEU A 126 -19.152 -12.160 -13.378 1.00 15.22 H new ATOM 2065 N ASN A 127 -19.546 -9.660 -18.062 1.00 74.23 N ATOM 2066 CA ASN A 127 -19.860 -9.190 -19.417 1.00 11.31 C ATOM 2067 C ASN A 127 -18.838 -8.140 -19.895 1.00 52.44 C ATOM 2068 O ASN A 127 -18.554 -8.028 -21.085 1.00 0.14 O ATOM 2069 CB ASN A 127 -21.276 -8.598 -19.438 1.00 10.41 C ATOM 2070 CG ASN A 127 -21.782 -8.322 -20.843 1.00 52.35 C ATOM 2071 OD1 ASN A 127 -22.406 -9.172 -21.465 1.00 74.34 O ATOM 2072 ND2 ASN A 127 -21.526 -7.135 -21.354 1.00 54.23 N ATOM 0 H ASN A 127 -20.318 -9.569 -17.401 1.00 74.23 H new ATOM 0 HA ASN A 127 -19.808 -10.039 -20.098 1.00 11.31 H new ATOM 0 HB2 ASN A 127 -21.959 -9.286 -18.940 1.00 10.41 H new ATOM 0 HB3 ASN A 127 -21.285 -7.670 -18.866 1.00 10.41 H new ATOM 0 HD21 ASN A 127 -21.850 -6.903 -22.293 1.00 54.23 H new ATOM 0 HD22 ASN A 127 -21.004 -6.448 -20.811 1.00 54.23 H new ATOM 2079 N ILE A 128 -18.294 -7.371 -18.951 1.00 53.20 N ATOM 2080 CA ILE A 128 -17.296 -6.339 -19.259 1.00 73.24 C ATOM 2081 C ILE A 128 -15.864 -6.838 -18.988 1.00 54.12 C ATOM 2082 O ILE A 128 -14.957 -6.612 -19.781 1.00 22.23 O ATOM 2083 CB ILE A 128 -17.542 -5.059 -18.420 1.00 63.11 C ATOM 2084 CG1 ILE A 128 -18.993 -4.575 -18.589 1.00 15.33 C ATOM 2085 CG2 ILE A 128 -16.553 -3.958 -18.817 1.00 63.30 C ATOM 2086 CD1 ILE A 128 -19.358 -3.401 -17.703 1.00 32.04 C ATOM 0 H ILE A 128 -18.528 -7.442 -17.961 1.00 53.20 H new ATOM 0 HA ILE A 128 -17.400 -6.109 -20.319 1.00 73.24 H new ATOM 0 HB ILE A 128 -17.382 -5.298 -17.369 1.00 63.11 H new ATOM 0 HG12 ILE A 128 -19.153 -4.295 -19.630 1.00 15.33 H new ATOM 0 HG13 ILE A 128 -19.669 -5.403 -18.374 1.00 15.33 H new ATOM 0 HG21 ILE A 128 -16.741 -3.067 -18.218 1.00 63.30 H new ATOM 0 HG22 ILE A 128 -15.534 -4.304 -18.643 1.00 63.30 H new ATOM 0 HG23 ILE A 128 -16.680 -3.718 -19.873 1.00 63.30 H new ATOM 0 HD11 ILE A 128 -20.396 -3.120 -17.881 1.00 32.04 H new ATOM 0 HD12 ILE A 128 -19.232 -3.682 -16.657 1.00 32.04 H new ATOM 0 HD13 ILE A 128 -18.709 -2.556 -17.933 1.00 32.04 H new ATOM 2098 N LEU A 129 -15.673 -7.517 -17.855 1.00 74.24 N ATOM 2099 CA LEU A 129 -14.337 -7.954 -17.418 1.00 13.35 C ATOM 2100 C LEU A 129 -13.774 -9.100 -18.280 1.00 33.53 C ATOM 2101 O LEU A 129 -12.679 -8.994 -18.832 1.00 13.41 O ATOM 2102 CB LEU A 129 -14.385 -8.383 -15.943 1.00 33.31 C ATOM 2103 CG LEU A 129 -14.870 -7.302 -14.962 1.00 11.43 C ATOM 2104 CD1 LEU A 129 -14.884 -7.839 -13.533 1.00 4.15 C ATOM 2105 CD2 LEU A 129 -14.006 -6.044 -15.060 1.00 54.44 C ATOM 0 H LEU A 129 -16.426 -7.779 -17.219 1.00 74.24 H new ATOM 0 HA LEU A 129 -13.666 -7.104 -17.539 1.00 13.35 H new ATOM 0 HB2 LEU A 129 -15.039 -9.251 -15.855 1.00 33.31 H new ATOM 0 HB3 LEU A 129 -13.388 -8.703 -15.642 1.00 33.31 H new ATOM 0 HG LEU A 129 -15.889 -7.031 -15.236 1.00 11.43 H new ATOM 0 HD11 LEU A 129 -15.230 -7.059 -12.855 1.00 4.15 H new ATOM 0 HD12 LEU A 129 -15.555 -8.696 -13.473 1.00 4.15 H new ATOM 0 HD13 LEU A 129 -13.877 -8.146 -13.250 1.00 4.15 H new ATOM 0 HD21 LEU A 129 -14.371 -5.296 -14.356 1.00 54.44 H new ATOM 0 HD22 LEU A 129 -12.972 -6.293 -14.821 1.00 54.44 H new ATOM 0 HD23 LEU A 129 -14.058 -5.645 -16.073 1.00 54.44 H new ATOM 2117 N ALA A 130 -14.524 -10.195 -18.389 1.00 14.12 N ATOM 2118 CA ALA A 130 -14.062 -11.375 -19.134 1.00 15.40 C ATOM 2119 C ALA A 130 -14.289 -11.226 -20.646 1.00 1.42 C ATOM 2120 O ALA A 130 -13.402 -11.505 -21.454 1.00 3.10 O ATOM 2121 CB ALA A 130 -14.759 -12.628 -18.614 1.00 50.53 C ATOM 0 H ALA A 130 -15.451 -10.294 -17.975 1.00 14.12 H new ATOM 0 HA ALA A 130 -12.988 -11.466 -18.974 1.00 15.40 H new ATOM 0 HB1 ALA A 130 -14.410 -13.497 -19.172 1.00 50.53 H new ATOM 0 HB2 ALA A 130 -14.529 -12.760 -17.557 1.00 50.53 H new ATOM 0 HB3 ALA A 130 -15.837 -12.524 -18.741 1.00 50.53 H new ATOM 2272 N ASP A 140 -8.548 -0.446 -16.593 1.00 45.34 N ATOM 2273 CA ASP A 140 -8.378 -0.263 -15.150 1.00 52.53 C ATOM 2274 C ASP A 140 -8.123 -1.587 -14.401 1.00 4.40 C ATOM 2275 O ASP A 140 -7.346 -1.619 -13.444 1.00 62.42 O ATOM 2276 CB ASP A 140 -9.606 0.455 -14.576 1.00 75.41 C ATOM 2277 CG ASP A 140 -10.911 -0.159 -15.053 1.00 12.51 C ATOM 2278 OD1 ASP A 140 -11.369 0.203 -16.161 1.00 44.03 O ATOM 2279 OD2 ASP A 140 -11.478 -1.003 -14.337 1.00 5.21 O ATOM 0 HA ASP A 140 -7.488 0.348 -15.001 1.00 52.53 H new ATOM 0 HB2 ASP A 140 -9.568 0.420 -13.487 1.00 75.41 H new ATOM 0 HB3 ASP A 140 -9.576 1.506 -14.863 1.00 75.41 H new ATOM 2284 N LEU A 141 -8.772 -2.674 -14.828 1.00 54.54 N ATOM 2285 CA LEU A 141 -8.559 -3.986 -14.194 1.00 11.04 C ATOM 2286 C LEU A 141 -7.094 -4.442 -14.331 1.00 5.04 C ATOM 2287 O LEU A 141 -6.440 -4.766 -13.335 1.00 72.24 O ATOM 2288 CB LEU A 141 -9.502 -5.048 -14.785 1.00 25.24 C ATOM 2289 CG LEU A 141 -9.407 -6.440 -14.126 1.00 20.11 C ATOM 2290 CD1 LEU A 141 -9.753 -6.367 -12.640 1.00 54.13 C ATOM 2291 CD2 LEU A 141 -10.309 -7.447 -14.839 1.00 25.43 C ATOM 0 H LEU A 141 -9.441 -2.677 -15.598 1.00 54.54 H new ATOM 0 HA LEU A 141 -8.786 -3.874 -13.134 1.00 11.04 H new ATOM 0 HB2 LEU A 141 -10.528 -4.690 -14.698 1.00 25.24 H new ATOM 0 HB3 LEU A 141 -9.289 -5.150 -15.849 1.00 25.24 H new ATOM 0 HG LEU A 141 -8.376 -6.782 -14.219 1.00 20.11 H new ATOM 0 HD11 LEU A 141 -9.678 -7.361 -12.200 1.00 54.13 H new ATOM 0 HD12 LEU A 141 -9.058 -5.694 -12.137 1.00 54.13 H new ATOM 0 HD13 LEU A 141 -10.770 -5.993 -12.521 1.00 54.13 H new ATOM 0 HD21 LEU A 141 -10.223 -8.420 -14.354 1.00 25.43 H new ATOM 0 HD22 LEU A 141 -11.344 -7.107 -14.790 1.00 25.43 H new ATOM 0 HD23 LEU A 141 -10.005 -7.533 -15.882 1.00 25.43 H new ATOM 2303 N ASP A 142 -6.585 -4.465 -15.568 1.00 1.32 N ATOM 2304 CA ASP A 142 -5.167 -4.757 -15.817 1.00 50.54 C ATOM 2305 C ASP A 142 -4.273 -3.813 -15.000 1.00 2.44 C ATOM 2306 O ASP A 142 -3.311 -4.240 -14.352 1.00 33.42 O ATOM 2307 CB ASP A 142 -4.838 -4.592 -17.304 1.00 71.14 C ATOM 2308 CG ASP A 142 -5.661 -5.498 -18.201 1.00 60.53 C ATOM 2309 OD1 ASP A 142 -6.862 -5.215 -18.392 1.00 43.11 O ATOM 2310 OD2 ASP A 142 -5.103 -6.485 -18.736 1.00 3.50 O ATOM 0 H ASP A 142 -7.131 -4.286 -16.411 1.00 1.32 H new ATOM 0 HA ASP A 142 -4.979 -5.788 -15.516 1.00 50.54 H new ATOM 0 HB2 ASP A 142 -5.005 -3.555 -17.594 1.00 71.14 H new ATOM 0 HB3 ASP A 142 -3.780 -4.800 -17.461 1.00 71.14 H new ATOM 2315 N ARG A 143 -4.614 -2.524 -15.040 1.00 3.33 N ATOM 2316 CA ARG A 143 -3.876 -1.489 -14.314 1.00 74.33 C ATOM 2317 C ARG A 143 -3.784 -1.797 -12.810 1.00 50.43 C ATOM 2318 O ARG A 143 -2.716 -1.671 -12.213 1.00 42.44 O ATOM 2319 CB ARG A 143 -4.532 -0.121 -14.543 1.00 12.52 C ATOM 2320 CG ARG A 143 -3.835 1.032 -13.828 1.00 25.14 C ATOM 2321 CD ARG A 143 -4.410 2.380 -14.246 1.00 64.31 C ATOM 2322 NE ARG A 143 -4.224 2.629 -15.675 1.00 22.21 N ATOM 2323 CZ ARG A 143 -5.007 3.375 -16.404 1.00 63.44 C ATOM 2324 NH1 ARG A 143 -6.050 3.943 -15.889 1.00 64.03 N ATOM 2325 NH2 ARG A 143 -4.752 3.547 -17.658 1.00 33.41 N ATOM 0 H ARG A 143 -5.407 -2.169 -15.575 1.00 3.33 H new ATOM 0 HA ARG A 143 -2.858 -1.471 -14.703 1.00 74.33 H new ATOM 0 HB2 ARG A 143 -4.550 0.087 -15.613 1.00 12.52 H new ATOM 0 HB3 ARG A 143 -5.569 -0.167 -14.210 1.00 12.52 H new ATOM 0 HG2 ARG A 143 -3.940 0.909 -12.750 1.00 25.14 H new ATOM 0 HG3 ARG A 143 -2.768 1.006 -14.049 1.00 25.14 H new ATOM 0 HD2 ARG A 143 -5.473 2.412 -14.007 1.00 64.31 H new ATOM 0 HD3 ARG A 143 -3.930 3.173 -13.673 1.00 64.31 H new ATOM 0 HE ARG A 143 -3.426 2.189 -16.134 1.00 22.21 H new ATOM 0 HH11 ARG A 143 -6.268 3.810 -14.902 1.00 64.03 H new ATOM 0 HH12 ARG A 143 -6.654 4.524 -16.471 1.00 64.03 H new ATOM 0 HH21 ARG A 143 -3.938 3.099 -18.079 1.00 33.41 H new ATOM 0 HH22 ARG A 143 -5.365 4.131 -18.228 1.00 33.41 H new ATOM 2339 N PHE A 144 -4.895 -2.209 -12.202 1.00 73.13 N ATOM 2340 CA PHE A 144 -4.899 -2.539 -10.774 1.00 22.51 C ATOM 2341 C PHE A 144 -3.844 -3.608 -10.454 1.00 51.03 C ATOM 2342 O PHE A 144 -2.995 -3.410 -9.591 1.00 22.25 O ATOM 2343 CB PHE A 144 -6.285 -3.024 -10.316 1.00 30.42 C ATOM 2344 CG PHE A 144 -6.334 -3.374 -8.844 1.00 10.24 C ATOM 2345 CD1 PHE A 144 -6.525 -2.388 -7.888 1.00 40.42 C ATOM 2346 CD2 PHE A 144 -6.165 -4.686 -8.416 1.00 13.34 C ATOM 2347 CE1 PHE A 144 -6.549 -2.699 -6.541 1.00 24.14 C ATOM 2348 CE2 PHE A 144 -6.184 -4.999 -7.071 1.00 33.04 C ATOM 2349 CZ PHE A 144 -6.376 -4.005 -6.133 1.00 11.30 C ATOM 0 H PHE A 144 -5.795 -2.322 -12.668 1.00 73.13 H new ATOM 0 HA PHE A 144 -4.654 -1.626 -10.231 1.00 22.51 H new ATOM 0 HB2 PHE A 144 -7.022 -2.248 -10.524 1.00 30.42 H new ATOM 0 HB3 PHE A 144 -6.569 -3.899 -10.901 1.00 30.42 H new ATOM 0 HD1 PHE A 144 -6.657 -1.362 -8.200 1.00 40.42 H new ATOM 0 HD2 PHE A 144 -6.017 -5.470 -9.144 1.00 13.34 H new ATOM 0 HE1 PHE A 144 -6.703 -1.920 -5.809 1.00 24.14 H new ATOM 0 HE2 PHE A 144 -6.049 -6.022 -6.753 1.00 33.04 H new ATOM 0 HZ PHE A 144 -6.391 -4.249 -5.081 1.00 11.30 H new ATOM 2359 N VAL A 145 -3.894 -4.726 -11.172 1.00 14.43 N ATOM 2360 CA VAL A 145 -2.975 -5.845 -10.932 1.00 35.15 C ATOM 2361 C VAL A 145 -1.499 -5.430 -11.086 1.00 2.24 C ATOM 2362 O VAL A 145 -0.684 -5.654 -10.185 1.00 32.54 O ATOM 2363 CB VAL A 145 -3.281 -7.030 -11.881 1.00 3.52 C ATOM 2364 CG1 VAL A 145 -2.304 -8.187 -11.653 1.00 60.33 C ATOM 2365 CG2 VAL A 145 -4.728 -7.490 -11.704 1.00 72.34 C ATOM 0 H VAL A 145 -4.561 -4.886 -11.927 1.00 14.43 H new ATOM 0 HA VAL A 145 -3.133 -6.159 -9.900 1.00 35.15 H new ATOM 0 HB VAL A 145 -3.151 -6.689 -12.908 1.00 3.52 H new ATOM 0 HG11 VAL A 145 -2.543 -9.005 -12.333 1.00 60.33 H new ATOM 0 HG12 VAL A 145 -1.286 -7.846 -11.840 1.00 60.33 H new ATOM 0 HG13 VAL A 145 -2.387 -8.535 -10.624 1.00 60.33 H new ATOM 0 HG21 VAL A 145 -4.930 -8.323 -12.377 1.00 72.34 H new ATOM 0 HG22 VAL A 145 -4.885 -7.809 -10.674 1.00 72.34 H new ATOM 0 HG23 VAL A 145 -5.403 -6.666 -11.935 1.00 72.34 H new ATOM 2375 N MET A 146 -1.160 -4.815 -12.221 1.00 30.20 N ATOM 2376 CA MET A 146 0.225 -4.397 -12.487 1.00 44.01 C ATOM 2377 C MET A 146 0.720 -3.357 -11.463 1.00 43.34 C ATOM 2378 O MET A 146 1.880 -3.387 -11.052 1.00 53.24 O ATOM 2379 CB MET A 146 0.371 -3.839 -13.912 1.00 72.02 C ATOM 2380 CG MET A 146 -0.544 -2.660 -14.214 1.00 13.41 C ATOM 2381 SD MET A 146 -0.219 -1.909 -15.821 1.00 52.42 S ATOM 2382 CE MET A 146 1.428 -1.258 -15.550 1.00 21.44 C ATOM 0 H MET A 146 -1.818 -4.595 -12.969 1.00 30.20 H new ATOM 0 HA MET A 146 0.846 -5.288 -12.390 1.00 44.01 H new ATOM 0 HB2 MET A 146 1.405 -3.531 -14.066 1.00 72.02 H new ATOM 0 HB3 MET A 146 0.166 -4.637 -14.626 1.00 72.02 H new ATOM 0 HG2 MET A 146 -1.581 -2.994 -14.178 1.00 13.41 H new ATOM 0 HG3 MET A 146 -0.425 -1.906 -13.436 1.00 13.41 H new ATOM 0 HE1 MET A 146 1.623 -0.455 -16.261 1.00 21.44 H new ATOM 0 HE2 MET A 146 1.503 -0.870 -14.534 1.00 21.44 H new ATOM 0 HE3 MET A 146 2.161 -2.053 -15.690 1.00 21.44 H new ATOM 2392 N VAL A 147 -0.159 -2.442 -11.052 1.00 72.43 N ATOM 2393 CA VAL A 147 0.210 -1.405 -10.074 1.00 62.33 C ATOM 2394 C VAL A 147 0.130 -1.935 -8.628 1.00 32.22 C ATOM 2395 O VAL A 147 0.752 -1.381 -7.720 1.00 14.04 O ATOM 2396 CB VAL A 147 -0.678 -0.139 -10.229 1.00 2.14 C ATOM 2397 CG1 VAL A 147 -0.287 0.944 -9.220 1.00 33.31 C ATOM 2398 CG2 VAL A 147 -0.587 0.405 -11.654 1.00 64.22 C ATOM 0 H VAL A 147 -1.125 -2.393 -11.375 1.00 72.43 H new ATOM 0 HA VAL A 147 1.244 -1.129 -10.280 1.00 62.33 H new ATOM 0 HB VAL A 147 -1.709 -0.428 -10.027 1.00 2.14 H new ATOM 0 HG11 VAL A 147 -0.927 1.816 -9.355 1.00 33.31 H new ATOM 0 HG12 VAL A 147 -0.408 0.559 -8.208 1.00 33.31 H new ATOM 0 HG13 VAL A 147 0.753 1.230 -9.378 1.00 33.31 H new ATOM 0 HG21 VAL A 147 -1.215 1.291 -11.746 1.00 64.22 H new ATOM 0 HG22 VAL A 147 0.447 0.668 -11.878 1.00 64.22 H new ATOM 0 HG23 VAL A 147 -0.928 -0.356 -12.356 1.00 64.22 H new ATOM 2408 N ALA A 148 -0.622 -3.014 -8.420 1.00 3.43 N ATOM 2409 CA ALA A 148 -0.732 -3.642 -7.097 1.00 21.43 C ATOM 2410 C ALA A 148 0.522 -4.455 -6.744 1.00 3.24 C ATOM 2411 O ALA A 148 1.033 -4.372 -5.627 1.00 35.45 O ATOM 2412 CB ALA A 148 -1.970 -4.528 -7.033 1.00 14.24 C ATOM 0 H ALA A 148 -1.166 -3.475 -9.149 1.00 3.43 H new ATOM 0 HA ALA A 148 -0.824 -2.843 -6.361 1.00 21.43 H new ATOM 0 HB1 ALA A 148 -2.038 -4.987 -6.047 1.00 14.24 H new ATOM 0 HB2 ALA A 148 -2.859 -3.924 -7.215 1.00 14.24 H new ATOM 0 HB3 ALA A 148 -1.899 -5.307 -7.792 1.00 14.24 H new ATOM 2418 N LYS A 149 1.028 -5.229 -7.703 1.00 2.44 N ATOM 2419 CA LYS A 149 2.200 -6.084 -7.467 1.00 14.00 C ATOM 2420 C LYS A 149 3.473 -5.263 -7.177 1.00 33.54 C ATOM 2421 O LYS A 149 4.443 -5.786 -6.624 1.00 30.54 O ATOM 2422 CB LYS A 149 2.420 -7.031 -8.658 1.00 64.34 C ATOM 2423 CG LYS A 149 2.707 -6.327 -9.983 1.00 55.25 C ATOM 2424 CD LYS A 149 2.642 -7.295 -11.164 1.00 54.24 C ATOM 2425 CE LYS A 149 3.728 -8.365 -11.101 1.00 70.55 C ATOM 2426 NZ LYS A 149 5.079 -7.810 -11.378 1.00 74.03 N ATOM 0 H LYS A 149 0.650 -5.285 -8.649 1.00 2.44 H new ATOM 0 HA LYS A 149 1.996 -6.678 -6.576 1.00 14.00 H new ATOM 0 HB2 LYS A 149 3.252 -7.697 -8.427 1.00 64.34 H new ATOM 0 HB3 LYS A 149 1.535 -7.656 -8.777 1.00 64.34 H new ATOM 0 HG2 LYS A 149 1.986 -5.523 -10.131 1.00 55.25 H new ATOM 0 HG3 LYS A 149 3.694 -5.867 -9.944 1.00 55.25 H new ATOM 0 HD2 LYS A 149 1.664 -7.775 -11.183 1.00 54.24 H new ATOM 0 HD3 LYS A 149 2.741 -6.736 -12.094 1.00 54.24 H new ATOM 0 HE2 LYS A 149 3.723 -8.828 -10.114 1.00 70.55 H new ATOM 0 HE3 LYS A 149 3.504 -9.150 -11.823 1.00 70.55 H new ATOM 0 HZ1 LYS A 149 5.780 -8.578 -11.358 1.00 74.03 H new ATOM 0 HZ2 LYS A 149 5.084 -7.361 -12.316 1.00 74.03 H new ATOM 0 HZ3 LYS A 149 5.319 -7.103 -10.654 1.00 74.03 H new ATOM 2440 N THR A 150 3.468 -3.978 -7.540 1.00 2.25 N ATOM 2441 CA THR A 150 4.610 -3.089 -7.250 1.00 70.03 C ATOM 2442 C THR A 150 4.416 -2.317 -5.933 1.00 22.24 C ATOM 2443 O THR A 150 5.350 -1.696 -5.427 1.00 1.21 O ATOM 2444 CB THR A 150 4.868 -2.077 -8.401 1.00 30.44 C ATOM 2445 OG1 THR A 150 6.004 -1.242 -8.103 1.00 42.34 O ATOM 2446 CG2 THR A 150 3.651 -1.199 -8.660 1.00 12.32 C ATOM 0 H THR A 150 2.696 -3.527 -8.031 1.00 2.25 H new ATOM 0 HA THR A 150 5.479 -3.741 -7.154 1.00 70.03 H new ATOM 0 HB THR A 150 5.072 -2.660 -9.299 1.00 30.44 H new ATOM 0 HG1 THR A 150 6.132 -1.198 -7.132 1.00 42.34 H new ATOM 0 HG21 THR A 150 3.869 -0.504 -9.471 1.00 12.32 H new ATOM 0 HG22 THR A 150 2.803 -1.825 -8.937 1.00 12.32 H new ATOM 0 HG23 THR A 150 3.408 -0.638 -7.757 1.00 12.32 H new ATOM 2454 N VAL A 151 3.205 -2.371 -5.366 1.00 12.32 N ATOM 2455 CA VAL A 151 2.908 -1.678 -4.099 1.00 14.14 C ATOM 2456 C VAL A 151 3.871 -2.086 -2.962 1.00 53.40 C ATOM 2457 O VAL A 151 4.453 -1.216 -2.312 1.00 34.34 O ATOM 2458 CB VAL A 151 1.441 -1.906 -3.639 1.00 24.03 C ATOM 2459 CG1 VAL A 151 1.194 -1.295 -2.262 1.00 65.23 C ATOM 2460 CG2 VAL A 151 0.465 -1.330 -4.658 1.00 2.43 C ATOM 0 H VAL A 151 2.416 -2.884 -5.759 1.00 12.32 H new ATOM 0 HA VAL A 151 3.051 -0.618 -4.307 1.00 14.14 H new ATOM 0 HB VAL A 151 1.276 -2.981 -3.566 1.00 24.03 H new ATOM 0 HG11 VAL A 151 0.160 -1.470 -1.966 1.00 65.23 H new ATOM 0 HG12 VAL A 151 1.862 -1.756 -1.534 1.00 65.23 H new ATOM 0 HG13 VAL A 151 1.384 -0.222 -2.301 1.00 65.23 H new ATOM 0 HG21 VAL A 151 -0.557 -1.499 -4.319 1.00 2.43 H new ATOM 0 HG22 VAL A 151 0.640 -0.259 -4.764 1.00 2.43 H new ATOM 0 HG23 VAL A 151 0.613 -1.819 -5.621 1.00 2.43 H new ATOM 2470 N PRO A 152 4.067 -3.404 -2.705 1.00 2.11 N ATOM 2471 CA PRO A 152 4.966 -3.864 -1.630 1.00 42.50 C ATOM 2472 C PRO A 152 6.422 -3.419 -1.845 1.00 32.12 C ATOM 2473 O PRO A 152 7.208 -3.375 -0.901 1.00 61.11 O ATOM 2474 CB PRO A 152 4.849 -5.398 -1.682 1.00 75.51 C ATOM 2475 CG PRO A 152 4.334 -5.700 -3.048 1.00 61.44 C ATOM 2476 CD PRO A 152 3.449 -4.542 -3.418 1.00 64.30 C ATOM 0 HA PRO A 152 4.686 -3.441 -0.665 1.00 42.50 H new ATOM 0 HB2 PRO A 152 5.815 -5.873 -1.510 1.00 75.51 H new ATOM 0 HB3 PRO A 152 4.170 -5.768 -0.914 1.00 75.51 H new ATOM 0 HG2 PRO A 152 5.153 -5.809 -3.759 1.00 61.44 H new ATOM 0 HG3 PRO A 152 3.777 -6.637 -3.057 1.00 61.44 H new ATOM 0 HD2 PRO A 152 3.429 -4.379 -4.496 1.00 64.30 H new ATOM 0 HD3 PRO A 152 2.419 -4.705 -3.101 1.00 64.30 H new ATOM 2484 N ASP A 153 6.771 -3.082 -3.089 1.00 72.13 N ATOM 2485 CA ASP A 153 8.119 -2.616 -3.415 1.00 44.51 C ATOM 2486 C ASP A 153 8.277 -1.123 -3.085 1.00 20.55 C ATOM 2487 O ASP A 153 9.173 -0.736 -2.327 1.00 3.21 O ATOM 2488 CB ASP A 153 8.422 -2.877 -4.896 1.00 13.22 C ATOM 2489 CG ASP A 153 9.888 -2.660 -5.231 1.00 51.53 C ATOM 2490 OD1 ASP A 153 10.264 -1.525 -5.582 1.00 62.43 O ATOM 2491 OD2 ASP A 153 10.672 -3.628 -5.127 1.00 31.22 O ATOM 0 H ASP A 153 6.137 -3.124 -3.887 1.00 72.13 H new ATOM 0 HA ASP A 153 8.834 -3.171 -2.808 1.00 44.51 H new ATOM 0 HB2 ASP A 153 8.142 -3.900 -5.147 1.00 13.22 H new ATOM 0 HB3 ASP A 153 7.809 -2.218 -5.512 1.00 13.22 H new ATOM 2496 N ASP A 154 7.396 -0.290 -3.647 1.00 73.44 N ATOM 2497 CA ASP A 154 7.405 1.152 -3.365 1.00 70.35 C ATOM 2498 C ASP A 154 7.243 1.417 -1.861 1.00 64.11 C ATOM 2499 O ASP A 154 7.867 2.321 -1.302 1.00 51.34 O ATOM 2500 CB ASP A 154 6.286 1.863 -4.132 1.00 32.14 C ATOM 2501 CG ASP A 154 6.358 1.630 -5.626 1.00 35.30 C ATOM 2502 OD1 ASP A 154 7.352 2.044 -6.253 1.00 14.32 O ATOM 2503 OD2 ASP A 154 5.411 1.037 -6.181 1.00 11.32 O ATOM 0 H ASP A 154 6.669 -0.586 -4.298 1.00 73.44 H new ATOM 0 HA ASP A 154 8.367 1.546 -3.692 1.00 70.35 H new ATOM 0 HB2 ASP A 154 5.321 1.517 -3.761 1.00 32.14 H new ATOM 0 HB3 ASP A 154 6.339 2.933 -3.933 1.00 32.14 H new ATOM 2508 N ALA A 155 6.392 0.622 -1.216 1.00 32.40 N ATOM 2509 CA ALA A 155 6.211 0.697 0.232 1.00 22.22 C ATOM 2510 C ALA A 155 7.497 0.301 0.963 1.00 51.40 C ATOM 2511 O ALA A 155 7.933 0.981 1.887 1.00 22.32 O ATOM 2512 CB ALA A 155 5.057 -0.200 0.667 1.00 4.45 C ATOM 0 H ALA A 155 5.815 -0.083 -1.675 1.00 32.40 H new ATOM 0 HA ALA A 155 5.973 1.728 0.494 1.00 22.22 H new ATOM 0 HB1 ALA A 155 4.933 -0.135 1.748 1.00 4.45 H new ATOM 0 HB2 ALA A 155 4.139 0.124 0.176 1.00 4.45 H new ATOM 0 HB3 ALA A 155 5.273 -1.231 0.388 1.00 4.45 H new ATOM 2518 N LYS A 156 8.112 -0.794 0.522 1.00 30.41 N ATOM 2519 CA LYS A 156 9.350 -1.295 1.129 1.00 23.14 C ATOM 2520 C LYS A 156 10.467 -0.232 1.100 1.00 22.45 C ATOM 2521 O LYS A 156 11.381 -0.255 1.930 1.00 72.41 O ATOM 2522 CB LYS A 156 9.796 -2.570 0.406 1.00 64.44 C ATOM 2523 CG LYS A 156 10.935 -3.321 1.090 1.00 24.01 C ATOM 2524 CD LYS A 156 11.188 -4.673 0.432 1.00 63.11 C ATOM 2525 CE LYS A 156 9.985 -5.606 0.561 1.00 21.15 C ATOM 2526 NZ LYS A 156 10.159 -6.853 -0.228 1.00 60.12 N ATOM 0 H LYS A 156 7.773 -1.357 -0.258 1.00 30.41 H new ATOM 0 HA LYS A 156 9.152 -1.525 2.176 1.00 23.14 H new ATOM 0 HB2 LYS A 156 8.940 -3.239 0.315 1.00 64.44 H new ATOM 0 HB3 LYS A 156 10.106 -2.309 -0.606 1.00 64.44 H new ATOM 0 HG2 LYS A 156 11.844 -2.720 1.050 1.00 24.01 H new ATOM 0 HG3 LYS A 156 10.695 -3.467 2.143 1.00 24.01 H new ATOM 0 HD2 LYS A 156 11.421 -4.525 -0.623 1.00 63.11 H new ATOM 0 HD3 LYS A 156 12.060 -5.141 0.888 1.00 63.11 H new ATOM 0 HE2 LYS A 156 9.834 -5.859 1.610 1.00 21.15 H new ATOM 0 HE3 LYS A 156 9.087 -5.087 0.226 1.00 21.15 H new ATOM 0 HZ1 LYS A 156 9.320 -7.457 -0.112 1.00 60.12 H new ATOM 0 HZ2 LYS A 156 10.277 -6.614 -1.233 1.00 60.12 H new ATOM 0 HZ3 LYS A 156 11.001 -7.362 0.108 1.00 60.12 H new ATOM 2540 N GLN A 157 10.382 0.697 0.146 1.00 52.43 N ATOM 2541 CA GLN A 157 11.305 1.837 0.095 1.00 32.21 C ATOM 2542 C GLN A 157 11.186 2.679 1.378 1.00 14.44 C ATOM 2543 O GLN A 157 12.156 2.852 2.121 1.00 42.34 O ATOM 2544 CB GLN A 157 11.014 2.720 -1.131 1.00 63.23 C ATOM 2545 CG GLN A 157 11.026 1.982 -2.470 1.00 30.44 C ATOM 2546 CD GLN A 157 12.307 1.205 -2.719 1.00 2.00 C ATOM 2547 OE1 GLN A 157 13.283 1.736 -3.244 1.00 4.11 O ATOM 2548 NE2 GLN A 157 12.304 -0.068 -2.380 1.00 41.51 N ATOM 0 H GLN A 157 9.687 0.685 -0.600 1.00 52.43 H new ATOM 0 HA GLN A 157 12.320 1.447 0.014 1.00 32.21 H new ATOM 0 HB2 GLN A 157 10.039 3.190 -1.000 1.00 63.23 H new ATOM 0 HB3 GLN A 157 11.752 3.522 -1.167 1.00 63.23 H new ATOM 0 HG2 GLN A 157 10.180 1.295 -2.505 1.00 30.44 H new ATOM 0 HG3 GLN A 157 10.885 2.703 -3.275 1.00 30.44 H new ATOM 0 HE21 GLN A 157 11.477 -0.478 -1.946 1.00 41.51 H new ATOM 0 HE22 GLN A 157 13.128 -0.643 -2.552 1.00 41.51 H new ATOM 2557 N LEU A 158 9.976 3.172 1.642 1.00 75.42 N ATOM 2558 CA LEU A 158 9.700 3.941 2.863 1.00 73.10 C ATOM 2559 C LEU A 158 9.919 3.083 4.119 1.00 13.31 C ATOM 2560 O LEU A 158 10.417 3.572 5.136 1.00 5.01 O ATOM 2561 CB LEU A 158 8.262 4.496 2.844 1.00 75.24 C ATOM 2562 CG LEU A 158 8.028 5.740 1.966 1.00 24.02 C ATOM 2563 CD1 LEU A 158 8.844 6.925 2.478 1.00 60.14 C ATOM 2564 CD2 LEU A 158 8.351 5.451 0.502 1.00 52.01 C ATOM 0 H LEU A 158 9.169 3.054 1.029 1.00 75.42 H new ATOM 0 HA LEU A 158 10.398 4.777 2.893 1.00 73.10 H new ATOM 0 HB2 LEU A 158 7.593 3.705 2.504 1.00 75.24 H new ATOM 0 HB3 LEU A 158 7.974 4.739 3.867 1.00 75.24 H new ATOM 0 HG LEU A 158 6.971 6.000 2.029 1.00 24.02 H new ATOM 0 HD11 LEU A 158 8.663 7.792 1.843 1.00 60.14 H new ATOM 0 HD12 LEU A 158 8.547 7.156 3.501 1.00 60.14 H new ATOM 0 HD13 LEU A 158 9.904 6.673 2.456 1.00 60.14 H new ATOM 0 HD21 LEU A 158 8.176 6.347 -0.093 1.00 52.01 H new ATOM 0 HD22 LEU A 158 9.396 5.154 0.412 1.00 52.01 H new ATOM 0 HD23 LEU A 158 7.712 4.645 0.141 1.00 52.01 H new ATOM 2576 N THR A 159 9.554 1.805 4.034 1.00 54.31 N ATOM 2577 CA THR A 159 9.772 0.852 5.131 1.00 61.45 C ATOM 2578 C THR A 159 11.252 0.788 5.534 1.00 53.32 C ATOM 2579 O THR A 159 11.582 0.524 6.685 1.00 0.33 O ATOM 2580 CB THR A 159 9.286 -0.573 4.754 1.00 20.15 C ATOM 2581 OG1 THR A 159 7.931 -0.523 4.286 1.00 11.34 O ATOM 2582 CG2 THR A 159 9.369 -1.524 5.946 1.00 71.24 C ATOM 0 H THR A 159 9.103 1.400 3.214 1.00 54.31 H new ATOM 0 HA THR A 159 9.187 1.214 5.977 1.00 61.45 H new ATOM 0 HB THR A 159 9.939 -0.947 3.965 1.00 20.15 H new ATOM 0 HG1 THR A 159 7.696 -1.380 3.872 1.00 11.34 H new ATOM 0 HG21 THR A 159 9.021 -2.513 5.647 1.00 71.24 H new ATOM 0 HG22 THR A 159 10.402 -1.590 6.287 1.00 71.24 H new ATOM 0 HG23 THR A 159 8.743 -1.148 6.755 1.00 71.24 H new ATOM 2590 N THR A 160 12.144 1.025 4.577 1.00 62.43 N ATOM 2591 CA THR A 160 13.583 1.073 4.863 1.00 50.32 C ATOM 2592 C THR A 160 14.010 2.478 5.320 1.00 61.23 C ATOM 2593 O THR A 160 14.722 2.629 6.315 1.00 64.22 O ATOM 2594 CB THR A 160 14.426 0.665 3.629 1.00 42.21 C ATOM 2595 OG1 THR A 160 13.996 -0.615 3.133 1.00 50.21 O ATOM 2596 CG2 THR A 160 15.909 0.596 3.979 1.00 11.30 C ATOM 0 H THR A 160 11.902 1.187 3.599 1.00 62.43 H new ATOM 0 HA THR A 160 13.766 0.359 5.666 1.00 50.32 H new ATOM 0 HB THR A 160 14.280 1.423 2.860 1.00 42.21 H new ATOM 0 HG1 THR A 160 13.111 -0.526 2.721 1.00 50.21 H new ATOM 0 HG21 THR A 160 16.478 0.308 3.095 1.00 11.30 H new ATOM 0 HG22 THR A 160 16.247 1.573 4.325 1.00 11.30 H new ATOM 0 HG23 THR A 160 16.063 -0.142 4.767 1.00 11.30 H new ATOM 2604 N THR A 161 13.557 3.502 4.591 1.00 73.22 N ATOM 2605 CA THR A 161 13.920 4.904 4.876 1.00 0.32 C ATOM 2606 C THR A 161 13.539 5.325 6.307 1.00 74.13 C ATOM 2607 O THR A 161 14.377 5.829 7.064 1.00 1.34 O ATOM 2608 CB THR A 161 13.249 5.875 3.868 1.00 31.34 C ATOM 2609 OG1 THR A 161 13.623 5.525 2.527 1.00 51.14 O ATOM 2610 CG2 THR A 161 13.641 7.327 4.140 1.00 33.33 C ATOM 0 H THR A 161 12.933 3.390 3.792 1.00 73.22 H new ATOM 0 HA THR A 161 15.004 4.963 4.774 1.00 0.32 H new ATOM 0 HB THR A 161 12.170 5.783 3.989 1.00 31.34 H new ATOM 0 HG1 THR A 161 12.930 5.829 1.904 1.00 51.14 H new ATOM 0 HG21 THR A 161 13.152 7.978 3.415 1.00 33.33 H new ATOM 0 HG22 THR A 161 13.328 7.606 5.146 1.00 33.33 H new ATOM 0 HG23 THR A 161 14.722 7.434 4.053 1.00 33.33 H new ATOM 2618 N ILE A 162 12.278 5.114 6.681 1.00 0.00 N ATOM 2619 CA ILE A 162 11.802 5.463 8.026 1.00 23.13 C ATOM 2620 C ILE A 162 12.588 4.705 9.106 1.00 31.32 C ATOM 2621 O ILE A 162 13.082 5.303 10.059 1.00 74.23 O ATOM 2622 CB ILE A 162 10.286 5.168 8.179 1.00 4.33 C ATOM 2623 CG1 ILE A 162 9.480 6.005 7.170 1.00 61.21 C ATOM 2624 CG2 ILE A 162 9.815 5.446 9.612 1.00 52.12 C ATOM 2625 CD1 ILE A 162 7.987 5.757 7.221 1.00 3.55 C ATOM 0 H ILE A 162 11.566 4.704 6.076 1.00 0.00 H new ATOM 0 HA ILE A 162 11.966 6.532 8.158 1.00 23.13 H new ATOM 0 HB ILE A 162 10.117 4.111 7.971 1.00 4.33 H new ATOM 0 HG12 ILE A 162 9.669 7.062 7.356 1.00 61.21 H new ATOM 0 HG13 ILE A 162 9.840 5.789 6.164 1.00 61.21 H new ATOM 0 HG21 ILE A 162 8.749 5.232 9.693 1.00 52.12 H new ATOM 0 HG22 ILE A 162 10.366 4.811 10.306 1.00 52.12 H new ATOM 0 HG23 ILE A 162 9.994 6.493 9.857 1.00 52.12 H new ATOM 0 HD11 ILE A 162 7.489 6.383 6.481 1.00 3.55 H new ATOM 0 HD12 ILE A 162 7.785 4.708 7.004 1.00 3.55 H new ATOM 0 HD13 ILE A 162 7.611 6.001 8.215 1.00 3.55 H new ATOM 2637 N ASN A 163 12.722 3.394 8.931 1.00 44.53 N ATOM 2638 CA ASN A 163 13.463 2.546 9.875 1.00 45.12 C ATOM 2639 C ASN A 163 14.927 2.999 10.061 1.00 34.35 C ATOM 2640 O ASN A 163 15.411 3.100 11.189 1.00 14.31 O ATOM 2641 CB ASN A 163 13.413 1.088 9.406 1.00 51.34 C ATOM 2642 CG ASN A 163 12.031 0.479 9.574 1.00 63.43 C ATOM 2643 OD1 ASN A 163 11.025 1.174 9.553 1.00 21.24 O ATOM 2644 ND2 ASN A 163 11.972 -0.825 9.740 1.00 60.23 N ATOM 0 H ASN A 163 12.326 2.887 8.139 1.00 44.53 H new ATOM 0 HA ASN A 163 12.980 2.641 10.847 1.00 45.12 H new ATOM 0 HB2 ASN A 163 13.707 1.035 8.358 1.00 51.34 H new ATOM 0 HB3 ASN A 163 14.138 0.501 9.970 1.00 51.34 H new ATOM 0 HD21 ASN A 163 11.069 -1.284 9.856 1.00 60.23 H new ATOM 0 HD22 ASN A 163 12.830 -1.377 9.753 1.00 60.23 H new ATOM 2651 N THR A 164 15.630 3.280 8.961 1.00 72.50 N ATOM 2652 CA THR A 164 17.046 3.684 9.041 1.00 54.14 C ATOM 2653 C THR A 164 17.216 5.088 9.649 1.00 1.50 C ATOM 2654 O THR A 164 18.279 5.419 10.179 1.00 11.33 O ATOM 2655 CB THR A 164 17.754 3.632 7.660 1.00 30.13 C ATOM 2656 OG1 THR A 164 19.158 3.902 7.803 1.00 12.34 O ATOM 2657 CG2 THR A 164 17.154 4.630 6.680 1.00 41.23 C ATOM 0 H THR A 164 15.253 3.238 8.014 1.00 72.50 H new ATOM 0 HA THR A 164 17.520 2.957 9.701 1.00 54.14 H new ATOM 0 HB THR A 164 17.609 2.627 7.265 1.00 30.13 H new ATOM 0 HG1 THR A 164 19.590 3.864 6.924 1.00 12.34 H new ATOM 0 HG21 THR A 164 17.677 4.562 5.726 1.00 41.23 H new ATOM 0 HG22 THR A 164 16.098 4.404 6.532 1.00 41.23 H new ATOM 0 HG23 THR A 164 17.257 5.639 7.079 1.00 41.23 H new ATOM 2665 N ASN A 165 16.172 5.916 9.571 1.00 32.04 N ATOM 2666 CA ASN A 165 16.199 7.251 10.193 1.00 32.51 C ATOM 2667 C ASN A 165 15.288 7.327 11.433 1.00 62.33 C ATOM 2668 O ASN A 165 15.079 8.405 11.996 1.00 41.32 O ATOM 2669 CB ASN A 165 15.798 8.325 9.173 1.00 2.51 C ATOM 2670 CG ASN A 165 16.775 8.408 8.012 1.00 22.43 C ATOM 2671 OD1 ASN A 165 17.801 9.077 8.096 1.00 12.41 O ATOM 2672 ND2 ASN A 165 16.469 7.739 6.919 1.00 44.23 N ATOM 0 H ASN A 165 15.302 5.693 9.088 1.00 32.04 H new ATOM 0 HA ASN A 165 17.221 7.435 10.524 1.00 32.51 H new ATOM 0 HB2 ASN A 165 14.801 8.107 8.791 1.00 2.51 H new ATOM 0 HB3 ASN A 165 15.744 9.294 9.670 1.00 2.51 H new ATOM 0 HD21 ASN A 165 17.092 7.768 6.112 1.00 44.23 H new ATOM 0 HD22 ASN A 165 15.609 7.192 6.880 1.00 44.23 H new ATOM 2679 N ALA A 166 14.774 6.176 11.876 1.00 74.01 N ATOM 2680 CA ALA A 166 13.851 6.111 13.023 1.00 33.11 C ATOM 2681 C ALA A 166 14.446 6.763 14.279 1.00 44.14 C ATOM 2682 O ALA A 166 13.747 7.442 15.034 1.00 15.13 O ATOM 2683 CB ALA A 166 13.476 4.662 13.310 1.00 62.22 C ATOM 0 H ALA A 166 14.981 5.269 11.458 1.00 74.01 H new ATOM 0 HA ALA A 166 12.956 6.673 12.757 1.00 33.11 H new ATOM 0 HB1 ALA A 166 12.794 4.624 14.159 1.00 62.22 H new ATOM 0 HB2 ALA A 166 12.990 4.232 12.434 1.00 62.22 H new ATOM 0 HB3 ALA A 166 14.376 4.092 13.542 1.00 62.22 H new ATOM 2689 N GLU A 167 15.746 6.559 14.483 1.00 71.22 N ATOM 2690 CA GLU A 167 16.474 7.138 15.622 1.00 72.53 C ATOM 2691 C GLU A 167 16.294 8.667 15.717 1.00 20.40 C ATOM 2692 O GLU A 167 16.338 9.240 16.805 1.00 3.55 O ATOM 2693 CB GLU A 167 17.966 6.794 15.502 1.00 70.42 C ATOM 2694 CG GLU A 167 18.585 7.206 14.166 1.00 12.42 C ATOM 2695 CD GLU A 167 20.059 6.848 14.058 1.00 31.31 C ATOM 2696 OE1 GLU A 167 20.372 5.716 13.628 1.00 31.35 O ATOM 2697 OE2 GLU A 167 20.911 7.698 14.395 1.00 64.01 O ATOM 0 H GLU A 167 16.328 5.990 13.868 1.00 71.22 H new ATOM 0 HA GLU A 167 16.059 6.708 16.534 1.00 72.53 H new ATOM 0 HB2 GLU A 167 18.509 7.283 16.311 1.00 70.42 H new ATOM 0 HB3 GLU A 167 18.094 5.720 15.636 1.00 70.42 H new ATOM 0 HG2 GLU A 167 18.039 6.724 13.355 1.00 12.42 H new ATOM 0 HG3 GLU A 167 18.467 8.282 14.034 1.00 12.42 H new ATOM 2704 N ALA A 168 16.102 9.320 14.572 1.00 70.31 N ATOM 2705 CA ALA A 168 15.893 10.774 14.531 1.00 11.12 C ATOM 2706 C ALA A 168 14.397 11.131 14.469 1.00 52.43 C ATOM 2707 O ALA A 168 13.947 12.067 15.127 1.00 64.24 O ATOM 2708 CB ALA A 168 16.628 11.373 13.337 1.00 50.13 C ATOM 0 H ALA A 168 16.086 8.869 13.657 1.00 70.31 H new ATOM 0 HA ALA A 168 16.295 11.196 15.452 1.00 11.12 H new ATOM 0 HB1 ALA A 168 16.468 12.451 13.314 1.00 50.13 H new ATOM 0 HB2 ALA A 168 17.695 11.167 13.425 1.00 50.13 H new ATOM 0 HB3 ALA A 168 16.248 10.930 12.416 1.00 50.13 H new ATOM 2714 N LEU A 169 13.636 10.368 13.680 1.00 4.40 N ATOM 2715 CA LEU A 169 12.202 10.631 13.474 1.00 45.43 C ATOM 2716 C LEU A 169 11.392 10.502 14.775 1.00 63.23 C ATOM 2717 O LEU A 169 10.434 11.243 14.997 1.00 31.01 O ATOM 2718 CB LEU A 169 11.633 9.661 12.426 1.00 52.15 C ATOM 2719 CG LEU A 169 12.270 9.742 11.029 1.00 24.33 C ATOM 2720 CD1 LEU A 169 11.712 8.652 10.120 1.00 60.43 C ATOM 2721 CD2 LEU A 169 12.047 11.120 10.409 1.00 62.41 C ATOM 0 H LEU A 169 13.988 9.558 13.169 1.00 4.40 H new ATOM 0 HA LEU A 169 12.113 11.659 13.124 1.00 45.43 H new ATOM 0 HB2 LEU A 169 11.748 8.643 12.799 1.00 52.15 H new ATOM 0 HB3 LEU A 169 10.563 9.846 12.329 1.00 52.15 H new ATOM 0 HG LEU A 169 13.343 9.586 11.137 1.00 24.33 H new ATOM 0 HD11 LEU A 169 12.175 8.726 9.136 1.00 60.43 H new ATOM 0 HD12 LEU A 169 11.928 7.674 10.550 1.00 60.43 H new ATOM 0 HD13 LEU A 169 10.633 8.776 10.023 1.00 60.43 H new ATOM 0 HD21 LEU A 169 12.507 11.153 9.421 1.00 62.41 H new ATOM 0 HD22 LEU A 169 10.977 11.309 10.318 1.00 62.41 H new ATOM 0 HD23 LEU A 169 12.498 11.882 11.045 1.00 62.41 H new ATOM 2733 N PHE A 170 11.776 9.553 15.625 1.00 72.21 N ATOM 2734 CA PHE A 170 11.036 9.277 16.867 1.00 54.31 C ATOM 2735 C PHE A 170 11.927 9.473 18.101 1.00 63.14 C ATOM 2736 O PHE A 170 11.763 8.800 19.118 1.00 65.34 O ATOM 2737 CB PHE A 170 10.494 7.845 16.828 1.00 65.23 C ATOM 2738 CG PHE A 170 9.811 7.508 15.530 1.00 75.03 C ATOM 2739 CD1 PHE A 170 8.524 7.951 15.270 1.00 53.23 C ATOM 2740 CD2 PHE A 170 10.466 6.758 14.565 1.00 55.33 C ATOM 2741 CE1 PHE A 170 7.902 7.648 14.073 1.00 4.12 C ATOM 2742 CE2 PHE A 170 9.848 6.453 13.367 1.00 1.14 C ATOM 2743 CZ PHE A 170 8.564 6.896 13.121 1.00 41.24 C ATOM 0 H PHE A 170 12.593 8.960 15.482 1.00 72.21 H new ATOM 0 HA PHE A 170 10.207 9.981 16.941 1.00 54.31 H new ATOM 0 HB2 PHE A 170 11.315 7.147 16.991 1.00 65.23 H new ATOM 0 HB3 PHE A 170 9.790 7.707 17.649 1.00 65.23 H new ATOM 0 HD1 PHE A 170 8.001 8.539 16.010 1.00 53.23 H new ATOM 0 HD2 PHE A 170 11.471 6.408 14.752 1.00 55.33 H new ATOM 0 HE1 PHE A 170 6.899 7.999 13.882 1.00 4.12 H new ATOM 0 HE2 PHE A 170 10.369 5.868 12.624 1.00 1.14 H new ATOM 0 HZ PHE A 170 8.078 6.656 12.187 1.00 41.24 H new ATOM 2753 N ARG A 171 12.850 10.422 18.005 1.00 34.24 N ATOM 2754 CA ARG A 171 13.786 10.730 19.099 1.00 72.13 C ATOM 2755 C ARG A 171 13.038 11.111 20.398 1.00 65.15 C ATOM 2756 O ARG A 171 12.331 12.125 20.442 1.00 13.10 O ATOM 2757 CB ARG A 171 14.711 11.880 18.670 1.00 32.24 C ATOM 2758 CG ARG A 171 15.745 12.289 19.719 1.00 21.31 C ATOM 2759 CD ARG A 171 16.763 11.182 19.988 1.00 41.44 C ATOM 2760 NE ARG A 171 17.485 10.786 18.781 1.00 74.42 N ATOM 2761 CZ ARG A 171 18.467 11.460 18.245 1.00 65.02 C ATOM 2762 NH1 ARG A 171 18.889 12.562 18.775 1.00 34.21 N ATOM 2763 NH2 ARG A 171 19.032 11.020 17.171 1.00 50.33 N ATOM 0 H ARG A 171 12.977 11.001 17.175 1.00 34.24 H new ATOM 0 HA ARG A 171 14.375 9.836 19.306 1.00 72.13 H new ATOM 0 HB2 ARG A 171 15.233 11.588 17.759 1.00 32.24 H new ATOM 0 HB3 ARG A 171 14.100 12.748 18.423 1.00 32.24 H new ATOM 0 HG2 ARG A 171 16.266 13.186 19.383 1.00 21.31 H new ATOM 0 HG3 ARG A 171 15.236 12.546 20.648 1.00 21.31 H new ATOM 0 HD2 ARG A 171 17.476 11.522 20.740 1.00 41.44 H new ATOM 0 HD3 ARG A 171 16.251 10.314 20.403 1.00 41.44 H new ATOM 0 HE ARG A 171 17.201 9.920 18.323 1.00 74.42 H new ATOM 0 HH11 ARG A 171 18.454 12.918 19.626 1.00 34.21 H new ATOM 0 HH12 ARG A 171 19.657 13.075 18.342 1.00 34.21 H new ATOM 0 HH21 ARG A 171 18.711 10.150 16.745 1.00 50.33 H new ATOM 0 HH22 ARG A 171 19.799 11.542 16.748 1.00 50.33 H new