USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 559 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 38 THR OG1 : rot -79:sc= 0.0285 USER MOD Set 1.2: A 42 SER OG : rot 80:sc= 0.0666 USER MOD Set 2.1: A 29 CYS SG : rot 180:sc= -0.505 USER MOD Set 2.2: A 33 MET CE :methyl -176:sc= -0.921 (180deg=-0.26) USER MOD Set 2.3: A 52 HIS : no HD1:sc= -0.957 X(o=-2.4,f=-2.1) USER MOD Set 3.1: A 18 LYS NZ :NH3+ -154:sc= 0.787 (180deg=0) USER MOD Set 3.2: A 40 SER OG : rot 29:sc= 0.623 USER MOD Single : A 14 TYR OH : rot -80:sc= 0.801 USER MOD Single : A 15 SER OG : rot -44:sc= 0.122 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.0275 (180deg=-0.226) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.875 K(o=-0.87,f=-2.3) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= -0.0298 (180deg=-0.138) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 49 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.7) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -122:sc= 1.39 (180deg=-0.157) USER MOD Single : A 56 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.62) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 177:sc= -0.193 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00428) USER MOD Single : A 65 TYR OH : rot 24:sc= 0.792 USER MOD Single : A 66 ASN : amide:sc= -0.206 K(o=-0.21,f=-0.86) USER MOD Single : A 69 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.69) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.0541 (180deg=-0.295) USER MOD ----------------------------------------------------------------- ATOM 176 N ILE A 12 1.791 5.961 5.621 1.00 22.42 N ATOM 177 CA ILE A 12 0.448 6.079 5.116 1.00 43.32 C ATOM 178 C ILE A 12 -0.546 5.548 6.133 1.00 14.35 C ATOM 179 O ILE A 12 -0.220 4.653 6.920 1.00 74.22 O ATOM 180 CB ILE A 12 0.311 5.219 3.830 1.00 23.41 C ATOM 181 CG1 ILE A 12 1.493 5.460 2.907 1.00 23.10 C ATOM 182 CG2 ILE A 12 -0.977 5.564 3.086 1.00 42.04 C ATOM 183 CD1 ILE A 12 1.512 4.550 1.715 1.00 71.32 C ATOM 0 HA ILE A 12 0.246 7.130 4.910 1.00 43.32 H new ATOM 0 HB ILE A 12 0.285 4.171 4.128 1.00 23.41 H new ATOM 0 HG12 ILE A 12 1.472 6.495 2.565 1.00 23.10 H new ATOM 0 HG13 ILE A 12 2.417 5.329 3.470 1.00 23.10 H new ATOM 0 HG21 ILE A 12 -1.054 4.951 2.188 1.00 42.04 H new ATOM 0 HG22 ILE A 12 -1.833 5.371 3.732 1.00 42.04 H new ATOM 0 HG23 ILE A 12 -0.964 6.617 2.806 1.00 42.04 H new ATOM 0 HD11 ILE A 12 2.382 4.776 1.098 1.00 71.32 H new ATOM 0 HD12 ILE A 12 1.564 3.514 2.049 1.00 71.32 H new ATOM 0 HD13 ILE A 12 0.604 4.698 1.130 1.00 71.32 H new ATOM 195 N ARG A 13 -1.713 6.134 6.163 1.00 51.44 N ATOM 196 CA ARG A 13 -2.808 5.605 6.920 1.00 40.01 C ATOM 197 C ARG A 13 -3.762 4.945 5.958 1.00 73.44 C ATOM 198 O ARG A 13 -3.721 5.226 4.760 1.00 22.13 O ATOM 199 CB ARG A 13 -3.523 6.689 7.706 1.00 33.00 C ATOM 200 CG ARG A 13 -2.723 7.245 8.850 1.00 43.41 C ATOM 201 CD ARG A 13 -3.478 8.334 9.564 1.00 14.14 C ATOM 202 NE ARG A 13 -2.753 8.823 10.726 1.00 61.35 N ATOM 203 CZ ARG A 13 -3.080 9.902 11.434 1.00 24.10 C ATOM 204 NH1 ARG A 13 -4.109 10.665 11.064 1.00 33.20 N ATOM 205 NH2 ARG A 13 -2.362 10.229 12.502 1.00 22.23 N ATOM 0 H ARG A 13 -1.928 6.995 5.660 1.00 51.44 H new ATOM 0 HA ARG A 13 -2.429 4.884 7.645 1.00 40.01 H new ATOM 0 HB2 ARG A 13 -3.783 7.503 7.029 1.00 33.00 H new ATOM 0 HB3 ARG A 13 -4.459 6.285 8.093 1.00 33.00 H new ATOM 0 HG2 ARG A 13 -2.482 6.446 9.551 1.00 43.41 H new ATOM 0 HG3 ARG A 13 -1.777 7.638 8.478 1.00 43.41 H new ATOM 0 HD2 ARG A 13 -3.661 9.160 8.876 1.00 14.14 H new ATOM 0 HD3 ARG A 13 -4.452 7.956 9.876 1.00 14.14 H new ATOM 0 HE ARG A 13 -1.930 8.298 11.022 1.00 61.35 H new ATOM 0 HH11 ARG A 13 -4.651 10.423 10.234 1.00 33.20 H new ATOM 0 HH12 ARG A 13 -4.354 11.490 11.611 1.00 33.20 H new ATOM 0 HH21 ARG A 13 -1.565 9.655 12.776 1.00 22.23 H new ATOM 0 HH22 ARG A 13 -2.608 11.055 13.048 1.00 22.23 H new ATOM 219 N TYR A 14 -4.634 4.107 6.466 1.00 43.14 N ATOM 220 CA TYR A 14 -5.571 3.370 5.622 1.00 11.35 C ATOM 221 C TYR A 14 -6.530 4.367 4.987 1.00 64.34 C ATOM 222 O TYR A 14 -6.986 4.207 3.855 1.00 52.21 O ATOM 223 CB TYR A 14 -6.357 2.370 6.472 1.00 32.42 C ATOM 224 CG TYR A 14 -5.487 1.527 7.385 1.00 62.34 C ATOM 225 CD1 TYR A 14 -4.685 0.509 6.893 1.00 53.44 C ATOM 226 CD2 TYR A 14 -5.460 1.773 8.751 1.00 63.32 C ATOM 227 CE1 TYR A 14 -3.889 -0.234 7.739 1.00 12.53 C ATOM 228 CE2 TYR A 14 -4.669 1.037 9.597 1.00 2.32 C ATOM 229 CZ TYR A 14 -3.885 0.034 9.093 1.00 63.33 C ATOM 230 OH TYR A 14 -3.090 -0.708 9.954 1.00 35.10 O ATOM 0 H TYR A 14 -4.722 3.911 7.463 1.00 43.14 H new ATOM 0 HA TYR A 14 -5.029 2.824 4.849 1.00 11.35 H new ATOM 0 HB2 TYR A 14 -7.083 2.913 7.077 1.00 32.42 H new ATOM 0 HB3 TYR A 14 -6.921 1.711 5.812 1.00 32.42 H new ATOM 0 HD1 TYR A 14 -4.684 0.295 5.834 1.00 53.44 H new ATOM 0 HD2 TYR A 14 -6.076 2.562 9.157 1.00 63.32 H new ATOM 0 HE1 TYR A 14 -3.269 -1.025 7.343 1.00 12.53 H new ATOM 0 HE2 TYR A 14 -4.665 1.248 10.656 1.00 2.32 H new ATOM 0 HH TYR A 14 -3.534 -1.558 10.158 1.00 35.10 H new ATOM 240 N SER A 15 -6.776 5.418 5.732 1.00 32.31 N ATOM 241 CA SER A 15 -7.628 6.502 5.350 1.00 10.53 C ATOM 242 C SER A 15 -7.088 7.273 4.118 1.00 14.22 C ATOM 243 O SER A 15 -7.866 7.934 3.406 1.00 73.22 O ATOM 244 CB SER A 15 -7.736 7.444 6.528 1.00 14.31 C ATOM 245 OG SER A 15 -8.223 6.761 7.685 1.00 12.22 O ATOM 0 H SER A 15 -6.367 5.539 6.659 1.00 32.31 H new ATOM 0 HA SER A 15 -8.601 6.098 5.070 1.00 10.53 H new ATOM 0 HB2 SER A 15 -6.760 7.879 6.742 1.00 14.31 H new ATOM 0 HB3 SER A 15 -8.404 8.268 6.279 1.00 14.31 H new ATOM 0 HG SER A 15 -8.978 6.188 7.433 1.00 12.22 H new ATOM 251 N ASP A 16 -5.776 7.183 3.864 1.00 55.42 N ATOM 252 CA ASP A 16 -5.149 7.926 2.755 1.00 54.50 C ATOM 253 C ASP A 16 -5.209 7.141 1.468 1.00 22.23 C ATOM 254 O ASP A 16 -5.036 7.702 0.382 1.00 52.20 O ATOM 255 CB ASP A 16 -3.652 8.246 3.020 1.00 12.22 C ATOM 256 CG ASP A 16 -3.361 9.115 4.222 1.00 33.33 C ATOM 257 OD1 ASP A 16 -3.741 10.312 4.224 1.00 43.13 O ATOM 258 OD2 ASP A 16 -2.725 8.626 5.179 1.00 61.10 O ATOM 0 H ASP A 16 -5.130 6.609 4.405 1.00 55.42 H new ATOM 0 HA ASP A 16 -5.715 8.854 2.676 1.00 54.50 H new ATOM 0 HB2 ASP A 16 -3.116 7.305 3.139 1.00 12.22 H new ATOM 0 HB3 ASP A 16 -3.244 8.736 2.136 1.00 12.22 H new ATOM 263 N VAL A 17 -5.441 5.857 1.572 1.00 53.04 N ATOM 264 CA VAL A 17 -5.350 4.981 0.403 1.00 62.14 C ATOM 265 C VAL A 17 -6.676 4.893 -0.360 1.00 13.01 C ATOM 266 O VAL A 17 -7.738 4.731 0.245 1.00 34.51 O ATOM 267 CB VAL A 17 -4.909 3.548 0.797 1.00 1.14 C ATOM 268 CG1 VAL A 17 -4.616 2.698 -0.426 1.00 3.13 C ATOM 269 CG2 VAL A 17 -3.742 3.557 1.766 1.00 21.14 C ATOM 0 H VAL A 17 -5.693 5.386 2.441 1.00 53.04 H new ATOM 0 HA VAL A 17 -4.598 5.429 -0.246 1.00 62.14 H new ATOM 0 HB VAL A 17 -5.749 3.089 1.319 1.00 1.14 H new ATOM 0 HG11 VAL A 17 -4.310 1.700 -0.111 1.00 3.13 H new ATOM 0 HG12 VAL A 17 -5.513 2.625 -1.042 1.00 3.13 H new ATOM 0 HG13 VAL A 17 -3.815 3.157 -1.005 1.00 3.13 H new ATOM 0 HG21 VAL A 17 -3.467 2.532 2.014 1.00 21.14 H new ATOM 0 HG22 VAL A 17 -2.891 4.060 1.306 1.00 21.14 H new ATOM 0 HG23 VAL A 17 -4.028 4.086 2.675 1.00 21.14 H new ATOM 279 N LYS A 18 -6.605 4.996 -1.684 1.00 63.43 N ATOM 280 CA LYS A 18 -7.778 4.785 -2.548 1.00 11.22 C ATOM 281 C LYS A 18 -7.778 3.371 -3.085 1.00 10.03 C ATOM 282 O LYS A 18 -8.826 2.732 -3.226 1.00 54.41 O ATOM 283 CB LYS A 18 -7.773 5.699 -3.779 1.00 44.12 C ATOM 284 CG LYS A 18 -7.849 7.183 -3.526 1.00 15.42 C ATOM 285 CD LYS A 18 -8.047 7.969 -4.836 1.00 14.33 C ATOM 286 CE LYS A 18 -6.969 7.656 -5.876 1.00 21.02 C ATOM 287 NZ LYS A 18 -7.109 8.470 -7.109 1.00 63.25 N ATOM 0 H LYS A 18 -5.749 5.224 -2.189 1.00 63.43 H new ATOM 0 HA LYS A 18 -8.648 4.998 -1.927 1.00 11.22 H new ATOM 0 HB2 LYS A 18 -6.865 5.498 -4.347 1.00 44.12 H new ATOM 0 HB3 LYS A 18 -8.614 5.419 -4.413 1.00 44.12 H new ATOM 0 HG2 LYS A 18 -8.673 7.395 -2.845 1.00 15.42 H new ATOM 0 HG3 LYS A 18 -6.935 7.517 -3.035 1.00 15.42 H new ATOM 0 HD2 LYS A 18 -9.027 7.735 -5.252 1.00 14.33 H new ATOM 0 HD3 LYS A 18 -8.039 9.037 -4.620 1.00 14.33 H new ATOM 0 HE2 LYS A 18 -5.986 7.832 -5.439 1.00 21.02 H new ATOM 0 HE3 LYS A 18 -7.017 6.599 -6.136 1.00 21.02 H new ATOM 0 HZ1 LYS A 18 -6.687 7.960 -7.911 1.00 63.25 H new ATOM 0 HZ2 LYS A 18 -8.117 8.641 -7.299 1.00 63.25 H new ATOM 0 HZ3 LYS A 18 -6.621 9.380 -6.982 1.00 63.25 H new ATOM 301 N LYS A 19 -6.597 2.902 -3.394 1.00 75.11 N ATOM 302 CA LYS A 19 -6.399 1.646 -4.054 1.00 24.11 C ATOM 303 C LYS A 19 -5.050 1.073 -3.678 1.00 33.34 C ATOM 304 O LYS A 19 -4.060 1.810 -3.563 1.00 73.11 O ATOM 305 CB LYS A 19 -6.472 1.841 -5.577 1.00 61.12 C ATOM 306 CG LYS A 19 -6.227 0.574 -6.376 1.00 55.44 C ATOM 307 CD LYS A 19 -6.326 0.819 -7.871 1.00 61.25 C ATOM 308 CE LYS A 19 -6.037 -0.455 -8.663 1.00 21.04 C ATOM 309 NZ LYS A 19 -6.200 -0.253 -10.122 1.00 30.12 N ATOM 0 H LYS A 19 -5.729 3.397 -3.187 1.00 75.11 H new ATOM 0 HA LYS A 19 -7.181 0.954 -3.742 1.00 24.11 H new ATOM 0 HB2 LYS A 19 -7.454 2.236 -5.835 1.00 61.12 H new ATOM 0 HB3 LYS A 19 -5.739 2.591 -5.872 1.00 61.12 H new ATOM 0 HG2 LYS A 19 -5.239 0.180 -6.137 1.00 55.44 H new ATOM 0 HG3 LYS A 19 -6.952 -0.185 -6.084 1.00 55.44 H new ATOM 0 HD2 LYS A 19 -7.323 1.184 -8.117 1.00 61.25 H new ATOM 0 HD3 LYS A 19 -5.621 1.598 -8.161 1.00 61.25 H new ATOM 0 HE2 LYS A 19 -5.020 -0.788 -8.455 1.00 21.04 H new ATOM 0 HE3 LYS A 19 -6.707 -1.248 -8.330 1.00 21.04 H new ATOM 0 HZ1 LYS A 19 -5.994 -1.142 -10.621 1.00 30.12 H new ATOM 0 HZ2 LYS A 19 -7.177 0.040 -10.325 1.00 30.12 H new ATOM 0 HZ3 LYS A 19 -5.543 0.485 -10.446 1.00 30.12 H new ATOM 323 N LEU A 20 -5.024 -0.206 -3.487 1.00 14.05 N ATOM 324 CA LEU A 20 -3.839 -0.930 -3.152 1.00 31.44 C ATOM 325 C LEU A 20 -3.698 -2.005 -4.220 1.00 43.33 C ATOM 326 O LEU A 20 -4.619 -2.794 -4.424 1.00 74.23 O ATOM 327 CB LEU A 20 -4.059 -1.530 -1.730 1.00 5.31 C ATOM 328 CG LEU A 20 -2.904 -2.259 -1.009 1.00 30.41 C ATOM 329 CD1 LEU A 20 -3.331 -2.543 0.427 1.00 11.40 C ATOM 330 CD2 LEU A 20 -2.548 -3.580 -1.690 1.00 73.12 C ATOM 0 H LEU A 20 -5.853 -0.795 -3.562 1.00 14.05 H new ATOM 0 HA LEU A 20 -2.932 -0.326 -3.127 1.00 31.44 H new ATOM 0 HB2 LEU A 20 -4.382 -0.716 -1.082 1.00 5.31 H new ATOM 0 HB3 LEU A 20 -4.891 -2.231 -1.800 1.00 5.31 H new ATOM 0 HG LEU A 20 -2.023 -1.618 -1.041 1.00 30.41 H new ATOM 0 HD11 LEU A 20 -2.526 -3.058 0.951 1.00 11.40 H new ATOM 0 HD12 LEU A 20 -3.551 -1.603 0.934 1.00 11.40 H new ATOM 0 HD13 LEU A 20 -4.222 -3.171 0.424 1.00 11.40 H new ATOM 0 HD21 LEU A 20 -1.731 -4.059 -1.150 1.00 73.12 H new ATOM 0 HD22 LEU A 20 -3.418 -4.236 -1.688 1.00 73.12 H new ATOM 0 HD23 LEU A 20 -2.240 -3.388 -2.718 1.00 73.12 H new ATOM 342 N GLU A 21 -2.587 -2.014 -4.919 1.00 34.42 N ATOM 343 CA GLU A 21 -2.367 -2.972 -5.982 1.00 42.44 C ATOM 344 C GLU A 21 -1.042 -3.661 -5.747 1.00 11.11 C ATOM 345 O GLU A 21 -0.088 -3.012 -5.349 1.00 31.33 O ATOM 346 CB GLU A 21 -2.350 -2.226 -7.327 1.00 41.13 C ATOM 347 CG GLU A 21 -2.143 -3.109 -8.541 1.00 34.25 C ATOM 348 CD GLU A 21 -3.228 -4.137 -8.688 1.00 74.55 C ATOM 349 OE1 GLU A 21 -4.252 -3.849 -9.344 1.00 61.13 O ATOM 350 OE2 GLU A 21 -3.075 -5.246 -8.157 1.00 15.52 O ATOM 0 H GLU A 21 -1.815 -1.364 -4.770 1.00 34.42 H new ATOM 0 HA GLU A 21 -3.161 -3.718 -5.998 1.00 42.44 H new ATOM 0 HB2 GLU A 21 -3.292 -1.690 -7.441 1.00 41.13 H new ATOM 0 HB3 GLU A 21 -1.559 -1.477 -7.301 1.00 41.13 H new ATOM 0 HG2 GLU A 21 -2.109 -2.489 -9.437 1.00 34.25 H new ATOM 0 HG3 GLU A 21 -1.178 -3.610 -8.463 1.00 34.25 H new ATOM 357 N MET A 22 -0.967 -4.954 -5.953 1.00 10.41 N ATOM 358 CA MET A 22 0.280 -5.607 -5.753 1.00 1.12 C ATOM 359 C MET A 22 0.918 -5.984 -7.091 1.00 61.22 C ATOM 360 O MET A 22 0.424 -6.853 -7.833 1.00 30.34 O ATOM 361 CB MET A 22 0.132 -6.841 -4.823 1.00 15.15 C ATOM 362 CG MET A 22 -0.682 -8.028 -5.370 1.00 73.53 C ATOM 363 SD MET A 22 -2.399 -7.640 -5.757 1.00 4.42 S ATOM 364 CE MET A 22 -2.961 -9.232 -6.372 1.00 1.01 C ATOM 0 H MET A 22 -1.738 -5.551 -6.251 1.00 10.41 H new ATOM 0 HA MET A 22 0.948 -4.907 -5.252 1.00 1.12 H new ATOM 0 HB2 MET A 22 1.130 -7.200 -4.573 1.00 15.15 H new ATOM 0 HB3 MET A 22 -0.330 -6.512 -3.892 1.00 15.15 H new ATOM 0 HG2 MET A 22 -0.195 -8.402 -6.271 1.00 73.53 H new ATOM 0 HG3 MET A 22 -0.661 -8.835 -4.638 1.00 73.53 H new ATOM 0 HE1 MET A 22 -4.011 -9.162 -6.656 1.00 1.01 H new ATOM 0 HE2 MET A 22 -2.368 -9.516 -7.241 1.00 1.01 H new ATOM 0 HE3 MET A 22 -2.846 -9.985 -5.592 1.00 1.01 H new ATOM 374 N LYS A 23 1.997 -5.326 -7.400 1.00 61.34 N ATOM 375 CA LYS A 23 2.790 -5.605 -8.564 1.00 11.23 C ATOM 376 C LYS A 23 4.173 -5.026 -8.361 1.00 43.20 C ATOM 377 O LYS A 23 4.299 -3.939 -7.801 1.00 75.45 O ATOM 378 CB LYS A 23 2.086 -5.174 -9.910 1.00 11.04 C ATOM 379 CG LYS A 23 1.774 -3.677 -10.137 1.00 60.32 C ATOM 380 CD LYS A 23 3.011 -2.880 -10.528 1.00 11.01 C ATOM 381 CE LYS A 23 2.686 -1.419 -10.823 1.00 31.25 C ATOM 382 NZ LYS A 23 1.710 -1.256 -11.923 1.00 13.44 N ATOM 0 H LYS A 23 2.361 -4.559 -6.834 1.00 61.34 H new ATOM 0 HA LYS A 23 2.897 -6.683 -8.681 1.00 11.23 H new ATOM 0 HB2 LYS A 23 2.715 -5.509 -10.734 1.00 11.04 H new ATOM 0 HB3 LYS A 23 1.147 -5.722 -9.982 1.00 11.04 H new ATOM 0 HG2 LYS A 23 1.020 -3.580 -10.919 1.00 60.32 H new ATOM 0 HG3 LYS A 23 1.346 -3.256 -9.227 1.00 60.32 H new ATOM 0 HD2 LYS A 23 3.744 -2.932 -9.723 1.00 11.01 H new ATOM 0 HD3 LYS A 23 3.470 -3.333 -11.407 1.00 11.01 H new ATOM 0 HE2 LYS A 23 2.291 -0.951 -9.921 1.00 31.25 H new ATOM 0 HE3 LYS A 23 3.605 -0.892 -11.079 1.00 31.25 H new ATOM 0 HZ1 LYS A 23 1.680 -0.258 -12.215 1.00 13.44 H new ATOM 0 HZ2 LYS A 23 1.996 -1.845 -12.731 1.00 13.44 H new ATOM 0 HZ3 LYS A 23 0.767 -1.550 -11.597 1.00 13.44 H new ATOM 396 N PRO A 24 5.231 -5.732 -8.750 1.00 35.13 N ATOM 397 CA PRO A 24 6.574 -5.227 -8.574 1.00 20.25 C ATOM 398 C PRO A 24 6.831 -4.066 -9.512 1.00 21.12 C ATOM 399 O PRO A 24 6.346 -4.060 -10.650 1.00 23.51 O ATOM 400 CB PRO A 24 7.468 -6.415 -8.937 1.00 63.51 C ATOM 401 CG PRO A 24 6.633 -7.275 -9.821 1.00 64.23 C ATOM 402 CD PRO A 24 5.207 -7.053 -9.410 1.00 1.43 C ATOM 0 HA PRO A 24 6.755 -4.857 -7.565 1.00 20.25 H new ATOM 0 HB2 PRO A 24 8.373 -6.086 -9.448 1.00 63.51 H new ATOM 0 HB3 PRO A 24 7.785 -6.957 -8.046 1.00 63.51 H new ATOM 0 HG2 PRO A 24 6.780 -7.012 -10.869 1.00 64.23 H new ATOM 0 HG3 PRO A 24 6.909 -8.324 -9.714 1.00 64.23 H new ATOM 0 HD2 PRO A 24 4.538 -7.058 -10.270 1.00 1.43 H new ATOM 0 HD3 PRO A 24 4.860 -7.833 -8.732 1.00 1.43 H new ATOM 410 N LYS A 25 7.566 -3.064 -9.045 1.00 41.14 N ATOM 411 CA LYS A 25 7.905 -1.939 -9.904 1.00 1.14 C ATOM 412 C LYS A 25 8.851 -2.467 -10.998 1.00 11.21 C ATOM 413 O LYS A 25 8.883 -1.975 -12.127 1.00 74.20 O ATOM 414 CB LYS A 25 8.574 -0.810 -9.091 1.00 54.02 C ATOM 415 CG LYS A 25 8.789 0.483 -9.858 1.00 11.40 C ATOM 416 CD LYS A 25 7.454 1.147 -10.138 1.00 0.41 C ATOM 417 CE LYS A 25 7.600 2.373 -11.038 1.00 5.31 C ATOM 418 NZ LYS A 25 6.294 3.026 -11.316 1.00 11.24 N ATOM 0 H LYS A 25 7.932 -3.007 -8.095 1.00 41.14 H new ATOM 0 HA LYS A 25 7.006 -1.515 -10.352 1.00 1.14 H new ATOM 0 HB2 LYS A 25 7.961 -0.599 -8.215 1.00 54.02 H new ATOM 0 HB3 LYS A 25 9.538 -1.165 -8.727 1.00 54.02 H new ATOM 0 HG2 LYS A 25 9.426 1.155 -9.283 1.00 11.40 H new ATOM 0 HG3 LYS A 25 9.306 0.278 -10.795 1.00 11.40 H new ATOM 0 HD2 LYS A 25 6.784 0.429 -10.611 1.00 0.41 H new ATOM 0 HD3 LYS A 25 6.992 1.442 -9.196 1.00 0.41 H new ATOM 0 HE2 LYS A 25 8.270 3.091 -10.565 1.00 5.31 H new ATOM 0 HE3 LYS A 25 8.064 2.077 -11.979 1.00 5.31 H new ATOM 0 HZ1 LYS A 25 6.443 3.852 -11.930 1.00 11.24 H new ATOM 0 HZ2 LYS A 25 5.662 2.350 -11.792 1.00 11.24 H new ATOM 0 HZ3 LYS A 25 5.862 3.333 -10.421 1.00 11.24 H new ATOM 432 N TYR A 26 9.608 -3.487 -10.620 1.00 71.33 N ATOM 433 CA TYR A 26 10.472 -4.227 -11.501 1.00 64.34 C ATOM 434 C TYR A 26 10.235 -5.707 -11.261 1.00 63.00 C ATOM 435 O TYR A 26 10.345 -6.161 -10.126 1.00 3.11 O ATOM 436 CB TYR A 26 11.951 -3.888 -11.220 1.00 54.05 C ATOM 437 CG TYR A 26 12.390 -2.532 -11.715 1.00 4.11 C ATOM 438 CD1 TYR A 26 12.077 -1.368 -11.030 1.00 3.31 C ATOM 439 CD2 TYR A 26 13.110 -2.427 -12.888 1.00 72.23 C ATOM 440 CE1 TYR A 26 12.469 -0.134 -11.510 1.00 11.24 C ATOM 441 CE2 TYR A 26 13.510 -1.206 -13.374 1.00 74.23 C ATOM 442 CZ TYR A 26 13.185 -0.062 -12.686 1.00 25.41 C ATOM 443 OH TYR A 26 13.573 1.156 -13.175 1.00 62.34 O ATOM 0 H TYR A 26 9.632 -3.826 -9.658 1.00 71.33 H new ATOM 0 HA TYR A 26 10.253 -3.965 -12.536 1.00 64.34 H new ATOM 0 HB2 TYR A 26 12.124 -3.941 -10.145 1.00 54.05 H new ATOM 0 HB3 TYR A 26 12.579 -4.650 -11.682 1.00 54.05 H new ATOM 0 HD1 TYR A 26 11.518 -1.427 -10.108 1.00 3.31 H new ATOM 0 HD2 TYR A 26 13.364 -3.323 -13.435 1.00 72.23 H new ATOM 0 HE1 TYR A 26 12.217 0.766 -10.969 1.00 11.24 H new ATOM 0 HE2 TYR A 26 14.077 -1.146 -14.291 1.00 74.23 H new ATOM 0 HH TYR A 26 14.069 1.030 -14.010 1.00 62.34 H new ATOM 453 N PRO A 27 9.918 -6.481 -12.317 1.00 13.35 N ATOM 454 CA PRO A 27 9.659 -7.940 -12.208 1.00 41.31 C ATOM 455 C PRO A 27 10.846 -8.725 -11.629 1.00 25.45 C ATOM 456 O PRO A 27 10.675 -9.806 -11.054 1.00 31.13 O ATOM 457 CB PRO A 27 9.405 -8.367 -13.655 1.00 34.23 C ATOM 458 CG PRO A 27 8.954 -7.126 -14.340 1.00 11.04 C ATOM 459 CD PRO A 27 9.713 -6.000 -13.697 1.00 11.12 C ATOM 0 HA PRO A 27 8.832 -8.143 -11.528 1.00 41.31 H new ATOM 0 HB2 PRO A 27 10.309 -8.767 -14.114 1.00 34.23 H new ATOM 0 HB3 PRO A 27 8.647 -9.148 -13.710 1.00 34.23 H new ATOM 0 HG2 PRO A 27 9.159 -7.174 -15.410 1.00 11.04 H new ATOM 0 HG3 PRO A 27 7.879 -6.987 -14.227 1.00 11.04 H new ATOM 0 HD2 PRO A 27 10.660 -5.811 -14.203 1.00 11.12 H new ATOM 0 HD3 PRO A 27 9.148 -5.068 -13.720 1.00 11.12 H new ATOM 467 N HIS A 28 12.042 -8.162 -11.752 1.00 10.01 N ATOM 468 CA HIS A 28 13.255 -8.797 -11.217 1.00 1.50 C ATOM 469 C HIS A 28 13.375 -8.620 -9.696 1.00 53.55 C ATOM 470 O HIS A 28 14.429 -8.878 -9.127 1.00 60.14 O ATOM 471 CB HIS A 28 14.549 -8.261 -11.899 1.00 43.24 C ATOM 472 CG HIS A 28 14.852 -6.792 -11.697 1.00 5.23 C ATOM 473 ND1 HIS A 28 15.314 -6.277 -10.510 1.00 45.22 N ATOM 474 CD2 HIS A 28 14.769 -5.735 -12.541 1.00 42.12 C ATOM 475 CE1 HIS A 28 15.495 -4.991 -10.639 1.00 4.11 C ATOM 476 NE2 HIS A 28 15.179 -4.639 -11.850 1.00 41.31 N ATOM 0 H HIS A 28 12.205 -7.268 -12.216 1.00 10.01 H new ATOM 0 HA HIS A 28 13.155 -9.859 -11.442 1.00 1.50 H new ATOM 0 HB2 HIS A 28 15.396 -8.839 -11.529 1.00 43.24 H new ATOM 0 HB3 HIS A 28 14.476 -8.452 -12.970 1.00 43.24 H new ATOM 0 HD2 HIS A 28 14.439 -5.759 -13.569 1.00 42.12 H new ATOM 0 HE1 HIS A 28 15.850 -4.327 -9.865 1.00 4.11 H new ATOM 0 HE2 HIS A 28 15.231 -3.691 -12.222 1.00 41.31 H new ATOM 485 N CYS A 29 12.318 -8.209 -9.050 1.00 24.05 N ATOM 486 CA CYS A 29 12.366 -7.957 -7.631 1.00 41.53 C ATOM 487 C CYS A 29 11.550 -9.036 -6.922 1.00 54.34 C ATOM 488 O CYS A 29 10.817 -9.786 -7.584 1.00 23.54 O ATOM 489 CB CYS A 29 11.795 -6.571 -7.350 1.00 72.31 C ATOM 490 SG CYS A 29 12.695 -5.631 -6.078 1.00 33.22 S ATOM 0 H CYS A 29 11.410 -8.040 -9.483 1.00 24.05 H new ATOM 0 HA CYS A 29 13.392 -7.987 -7.265 1.00 41.53 H new ATOM 0 HB2 CYS A 29 11.795 -5.997 -8.277 1.00 72.31 H new ATOM 0 HB3 CYS A 29 10.755 -6.676 -7.040 1.00 72.31 H new ATOM 0 HG CYS A 29 12.132 -4.470 -5.917 1.00 33.22 H new ATOM 495 N GLU A 30 11.665 -9.130 -5.603 1.00 51.23 N ATOM 496 CA GLU A 30 10.989 -10.191 -4.868 1.00 11.05 C ATOM 497 C GLU A 30 9.523 -9.885 -4.667 1.00 45.23 C ATOM 498 O GLU A 30 9.173 -8.816 -4.172 1.00 2.33 O ATOM 499 CB GLU A 30 11.639 -10.370 -3.506 1.00 55.00 C ATOM 500 CG GLU A 30 13.070 -10.741 -3.539 1.00 60.15 C ATOM 501 CD GLU A 30 13.673 -10.789 -2.165 1.00 11.44 C ATOM 502 OE1 GLU A 30 13.504 -11.792 -1.471 1.00 22.54 O ATOM 503 OE2 GLU A 30 14.325 -9.801 -1.758 1.00 24.41 O ATOM 0 H GLU A 30 12.213 -8.492 -5.026 1.00 51.23 H new ATOM 0 HA GLU A 30 11.077 -11.104 -5.457 1.00 11.05 H new ATOM 0 HB2 GLU A 30 11.533 -9.441 -2.945 1.00 55.00 H new ATOM 0 HB3 GLU A 30 11.093 -11.138 -2.958 1.00 55.00 H new ATOM 0 HG2 GLU A 30 13.181 -11.714 -4.017 1.00 60.15 H new ATOM 0 HG3 GLU A 30 13.616 -10.022 -4.149 1.00 60.15 H new ATOM 510 N GLU A 31 8.680 -10.862 -5.002 1.00 35.32 N ATOM 511 CA GLU A 31 7.228 -10.777 -4.835 1.00 50.12 C ATOM 512 C GLU A 31 6.596 -9.541 -5.510 1.00 11.43 C ATOM 513 O GLU A 31 7.216 -8.877 -6.352 1.00 51.32 O ATOM 514 CB GLU A 31 6.826 -10.901 -3.350 1.00 54.44 C ATOM 515 CG GLU A 31 6.880 -12.332 -2.784 1.00 30.32 C ATOM 516 CD GLU A 31 8.231 -13.008 -2.887 1.00 15.24 C ATOM 517 OE1 GLU A 31 9.065 -12.827 -1.987 1.00 1.42 O ATOM 518 OE2 GLU A 31 8.464 -13.763 -3.869 1.00 54.40 O ATOM 0 H GLU A 31 8.990 -11.747 -5.403 1.00 35.32 H new ATOM 0 HA GLU A 31 6.812 -11.633 -5.366 1.00 50.12 H new ATOM 0 HB2 GLU A 31 7.483 -10.265 -2.756 1.00 54.44 H new ATOM 0 HB3 GLU A 31 5.814 -10.515 -3.229 1.00 54.44 H new ATOM 0 HG2 GLU A 31 6.583 -12.304 -1.736 1.00 30.32 H new ATOM 0 HG3 GLU A 31 6.144 -12.942 -3.307 1.00 30.32 H new ATOM 525 N LYS A 32 5.342 -9.308 -5.207 1.00 73.43 N ATOM 526 CA LYS A 32 4.624 -8.176 -5.723 1.00 10.31 C ATOM 527 C LYS A 32 4.636 -7.036 -4.748 1.00 53.11 C ATOM 528 O LYS A 32 4.104 -7.145 -3.633 1.00 22.12 O ATOM 529 CB LYS A 32 3.178 -8.550 -6.099 1.00 0.42 C ATOM 530 CG LYS A 32 3.016 -9.288 -7.425 1.00 10.34 C ATOM 531 CD LYS A 32 3.849 -10.529 -7.504 1.00 71.53 C ATOM 532 CE LYS A 32 3.750 -11.200 -8.869 1.00 72.00 C ATOM 533 NZ LYS A 32 2.359 -11.579 -9.221 1.00 63.32 N ATOM 0 H LYS A 32 4.790 -9.905 -4.591 1.00 73.43 H new ATOM 0 HA LYS A 32 5.135 -7.855 -6.630 1.00 10.31 H new ATOM 0 HB2 LYS A 32 2.763 -9.170 -5.305 1.00 0.42 H new ATOM 0 HB3 LYS A 32 2.583 -7.638 -6.135 1.00 0.42 H new ATOM 0 HG2 LYS A 32 1.967 -9.551 -7.564 1.00 10.34 H new ATOM 0 HG3 LYS A 32 3.288 -8.621 -8.243 1.00 10.34 H new ATOM 0 HD2 LYS A 32 4.890 -10.280 -7.298 1.00 71.53 H new ATOM 0 HD3 LYS A 32 3.530 -11.229 -6.732 1.00 71.53 H new ATOM 0 HE2 LYS A 32 4.142 -10.526 -9.630 1.00 72.00 H new ATOM 0 HE3 LYS A 32 4.378 -12.091 -8.878 1.00 72.00 H new ATOM 0 HZ1 LYS A 32 2.364 -12.149 -10.091 1.00 63.32 H new ATOM 0 HZ2 LYS A 32 1.944 -12.134 -8.446 1.00 63.32 H new ATOM 0 HZ3 LYS A 32 1.793 -10.720 -9.374 1.00 63.32 H new ATOM 547 N MET A 33 5.258 -5.961 -5.161 1.00 2.03 N ATOM 548 CA MET A 33 5.310 -4.748 -4.361 1.00 54.14 C ATOM 549 C MET A 33 3.965 -4.156 -4.194 1.00 51.05 C ATOM 550 O MET A 33 3.076 -4.337 -5.030 1.00 2.32 O ATOM 551 CB MET A 33 6.263 -3.682 -4.910 1.00 43.51 C ATOM 552 CG MET A 33 7.706 -3.998 -4.672 1.00 15.44 C ATOM 553 SD MET A 33 8.243 -5.485 -5.485 1.00 23.12 S ATOM 554 CE MET A 33 9.716 -5.763 -4.563 1.00 14.22 C ATOM 0 H MET A 33 5.743 -5.894 -6.056 1.00 2.03 H new ATOM 0 HA MET A 33 5.702 -5.066 -3.395 1.00 54.14 H new ATOM 0 HB2 MET A 33 6.095 -3.571 -5.981 1.00 43.51 H new ATOM 0 HB3 MET A 33 6.028 -2.723 -4.449 1.00 43.51 H new ATOM 0 HG2 MET A 33 8.315 -3.163 -5.017 1.00 15.44 H new ATOM 0 HG3 MET A 33 7.877 -4.096 -3.600 1.00 15.44 H new ATOM 0 HE1 MET A 33 10.244 -6.624 -4.972 1.00 14.22 H new ATOM 0 HE2 MET A 33 10.355 -4.882 -4.624 1.00 14.22 H new ATOM 0 HE3 MET A 33 9.462 -5.955 -3.521 1.00 14.22 H new ATOM 564 N VAL A 34 3.808 -3.446 -3.148 1.00 64.22 N ATOM 565 CA VAL A 34 2.562 -2.855 -2.864 1.00 24.42 C ATOM 566 C VAL A 34 2.531 -1.452 -3.408 1.00 42.12 C ATOM 567 O VAL A 34 3.285 -0.579 -2.963 1.00 63.00 O ATOM 568 CB VAL A 34 2.265 -2.830 -1.372 1.00 42.43 C ATOM 569 CG1 VAL A 34 0.889 -2.242 -1.149 1.00 72.14 C ATOM 570 CG2 VAL A 34 2.363 -4.233 -0.782 1.00 43.53 C ATOM 0 H VAL A 34 4.540 -3.257 -2.463 1.00 64.22 H new ATOM 0 HA VAL A 34 1.794 -3.462 -3.343 1.00 24.42 H new ATOM 0 HB VAL A 34 3.003 -2.208 -0.865 1.00 42.43 H new ATOM 0 HG11 VAL A 34 0.671 -2.222 -0.081 1.00 72.14 H new ATOM 0 HG12 VAL A 34 0.859 -1.227 -1.545 1.00 72.14 H new ATOM 0 HG13 VAL A 34 0.145 -2.853 -1.660 1.00 72.14 H new ATOM 0 HG21 VAL A 34 2.147 -4.195 0.286 1.00 43.53 H new ATOM 0 HG22 VAL A 34 1.642 -4.886 -1.274 1.00 43.53 H new ATOM 0 HG23 VAL A 34 3.369 -4.623 -0.935 1.00 43.53 H new ATOM 580 N ILE A 35 1.692 -1.256 -4.363 1.00 42.54 N ATOM 581 CA ILE A 35 1.516 0.003 -4.989 1.00 13.11 C ATOM 582 C ILE A 35 0.339 0.678 -4.321 1.00 1.32 C ATOM 583 O ILE A 35 -0.812 0.231 -4.456 1.00 64.14 O ATOM 584 CB ILE A 35 1.204 -0.193 -6.483 1.00 44.45 C ATOM 585 CG1 ILE A 35 2.262 -1.086 -7.146 1.00 14.11 C ATOM 586 CG2 ILE A 35 1.107 1.146 -7.188 1.00 32.32 C ATOM 587 CD1 ILE A 35 3.684 -0.523 -7.156 1.00 43.22 C ATOM 0 H ILE A 35 1.092 -1.990 -4.740 1.00 42.54 H new ATOM 0 HA ILE A 35 2.420 0.604 -4.897 1.00 13.11 H new ATOM 0 HB ILE A 35 0.239 -0.693 -6.569 1.00 44.45 H new ATOM 0 HG12 ILE A 35 2.274 -2.048 -6.633 1.00 14.11 H new ATOM 0 HG13 ILE A 35 1.958 -1.277 -8.175 1.00 14.11 H new ATOM 0 HG21 ILE A 35 0.886 0.986 -8.243 1.00 32.32 H new ATOM 0 HG22 ILE A 35 0.311 1.738 -6.736 1.00 32.32 H new ATOM 0 HG23 ILE A 35 2.054 1.677 -7.092 1.00 32.32 H new ATOM 0 HD11 ILE A 35 4.352 -1.231 -7.647 1.00 43.22 H new ATOM 0 HD12 ILE A 35 3.697 0.423 -7.697 1.00 43.22 H new ATOM 0 HD13 ILE A 35 4.018 -0.359 -6.131 1.00 43.22 H new ATOM 599 N ILE A 36 0.612 1.705 -3.578 1.00 73.22 N ATOM 600 CA ILE A 36 -0.419 2.381 -2.849 1.00 11.20 C ATOM 601 C ILE A 36 -0.780 3.699 -3.473 1.00 3.35 C ATOM 602 O ILE A 36 0.034 4.617 -3.551 1.00 72.23 O ATOM 603 CB ILE A 36 -0.061 2.558 -1.368 1.00 74.13 C ATOM 604 CG1 ILE A 36 0.061 1.188 -0.719 1.00 65.24 C ATOM 605 CG2 ILE A 36 -1.097 3.414 -0.649 1.00 71.33 C ATOM 606 CD1 ILE A 36 0.321 1.241 0.747 1.00 11.05 C ATOM 0 H ILE A 36 1.546 2.097 -3.459 1.00 73.22 H new ATOM 0 HA ILE A 36 -1.298 1.739 -2.900 1.00 11.20 H new ATOM 0 HB ILE A 36 0.893 3.079 -1.291 1.00 74.13 H new ATOM 0 HG12 ILE A 36 -0.858 0.629 -0.896 1.00 65.24 H new ATOM 0 HG13 ILE A 36 0.868 0.637 -1.203 1.00 65.24 H new ATOM 0 HG21 ILE A 36 -0.816 3.522 0.399 1.00 71.33 H new ATOM 0 HG22 ILE A 36 -1.143 4.398 -1.115 1.00 71.33 H new ATOM 0 HG23 ILE A 36 -2.074 2.935 -0.715 1.00 71.33 H new ATOM 0 HD11 ILE A 36 0.396 0.227 1.140 1.00 11.05 H new ATOM 0 HD12 ILE A 36 1.255 1.772 0.932 1.00 11.05 H new ATOM 0 HD13 ILE A 36 -0.497 1.763 1.243 1.00 11.05 H new ATOM 618 N THR A 37 -1.996 3.787 -3.880 1.00 1.50 N ATOM 619 CA THR A 37 -2.513 4.957 -4.526 1.00 52.25 C ATOM 620 C THR A 37 -3.244 5.814 -3.484 1.00 22.34 C ATOM 621 O THR A 37 -4.147 5.326 -2.801 1.00 2.31 O ATOM 622 CB THR A 37 -3.484 4.550 -5.652 1.00 73.02 C ATOM 623 OG1 THR A 37 -2.819 3.620 -6.528 1.00 23.12 O ATOM 624 CG2 THR A 37 -3.910 5.763 -6.456 1.00 55.43 C ATOM 0 H THR A 37 -2.679 3.037 -3.775 1.00 1.50 H new ATOM 0 HA THR A 37 -1.695 5.529 -4.964 1.00 52.25 H new ATOM 0 HB THR A 37 -4.368 4.094 -5.207 1.00 73.02 H new ATOM 0 HG1 THR A 37 -3.430 3.354 -7.247 1.00 23.12 H new ATOM 0 HG21 THR A 37 -4.595 5.454 -7.246 1.00 55.43 H new ATOM 0 HG22 THR A 37 -4.410 6.477 -5.801 1.00 55.43 H new ATOM 0 HG23 THR A 37 -3.032 6.232 -6.900 1.00 55.43 H new ATOM 632 N THR A 38 -2.852 7.063 -3.362 1.00 44.13 N ATOM 633 CA THR A 38 -3.409 7.937 -2.353 1.00 43.21 C ATOM 634 C THR A 38 -4.620 8.728 -2.849 1.00 62.30 C ATOM 635 O THR A 38 -4.891 8.776 -4.046 1.00 33.03 O ATOM 636 CB THR A 38 -2.334 8.883 -1.790 1.00 0.14 C ATOM 637 OG1 THR A 38 -1.666 9.579 -2.868 1.00 74.10 O ATOM 638 CG2 THR A 38 -1.324 8.109 -0.969 1.00 52.20 C ATOM 0 H THR A 38 -2.144 7.499 -3.954 1.00 44.13 H new ATOM 0 HA THR A 38 -3.766 7.291 -1.551 1.00 43.21 H new ATOM 0 HB THR A 38 -2.822 9.614 -1.145 1.00 0.14 H new ATOM 0 HG1 THR A 38 -1.006 8.984 -3.282 1.00 74.10 H new ATOM 0 HG21 THR A 38 -0.571 8.794 -0.579 1.00 52.20 H new ATOM 0 HG22 THR A 38 -1.831 7.616 -0.140 1.00 52.20 H new ATOM 0 HG23 THR A 38 -0.842 7.360 -1.597 1.00 52.20 H new ATOM 646 N LYS A 39 -5.317 9.377 -1.901 1.00 43.24 N ATOM 647 CA LYS A 39 -6.561 10.156 -2.129 1.00 30.30 C ATOM 648 C LYS A 39 -6.456 11.231 -3.207 1.00 3.45 C ATOM 649 O LYS A 39 -7.480 11.770 -3.629 1.00 53.14 O ATOM 650 CB LYS A 39 -7.084 10.757 -0.813 1.00 52.15 C ATOM 651 CG LYS A 39 -7.602 9.728 0.184 1.00 41.14 C ATOM 652 CD LYS A 39 -8.841 9.023 -0.350 1.00 14.41 C ATOM 653 CE LYS A 39 -9.353 7.964 0.601 1.00 64.35 C ATOM 654 NZ LYS A 39 -10.581 7.313 0.094 1.00 4.13 N ATOM 0 H LYS A 39 -5.027 9.378 -0.923 1.00 43.24 H new ATOM 0 HA LYS A 39 -7.280 9.432 -2.513 1.00 30.30 H new ATOM 0 HB2 LYS A 39 -6.283 11.328 -0.344 1.00 52.15 H new ATOM 0 HB3 LYS A 39 -7.885 11.460 -1.041 1.00 52.15 H new ATOM 0 HG2 LYS A 39 -6.823 8.994 0.392 1.00 41.14 H new ATOM 0 HG3 LYS A 39 -7.838 10.219 1.128 1.00 41.14 H new ATOM 0 HD2 LYS A 39 -9.626 9.758 -0.529 1.00 14.41 H new ATOM 0 HD3 LYS A 39 -8.609 8.564 -1.311 1.00 14.41 H new ATOM 0 HE2 LYS A 39 -8.580 7.211 0.755 1.00 64.35 H new ATOM 0 HE3 LYS A 39 -9.556 8.416 1.572 1.00 64.35 H new ATOM 0 HZ1 LYS A 39 -10.899 6.594 0.775 1.00 4.13 H new ATOM 0 HZ2 LYS A 39 -11.327 8.027 -0.029 1.00 4.13 H new ATOM 0 HZ3 LYS A 39 -10.381 6.860 -0.820 1.00 4.13 H new ATOM 668 N SER A 40 -5.229 11.586 -3.591 1.00 44.14 N ATOM 669 CA SER A 40 -4.948 12.533 -4.681 1.00 42.45 C ATOM 670 C SER A 40 -5.088 13.988 -4.227 1.00 61.31 C ATOM 671 O SER A 40 -4.354 14.865 -4.690 1.00 75.44 O ATOM 672 CB SER A 40 -5.772 12.201 -5.937 1.00 33.34 C ATOM 673 OG SER A 40 -5.571 10.831 -6.311 1.00 51.12 O ATOM 0 H SER A 40 -4.386 11.220 -3.149 1.00 44.14 H new ATOM 0 HA SER A 40 -3.902 12.417 -4.964 1.00 42.45 H new ATOM 0 HB2 SER A 40 -6.830 12.382 -5.746 1.00 33.34 H new ATOM 0 HB3 SER A 40 -5.479 12.857 -6.757 1.00 33.34 H new ATOM 0 HG SER A 40 -5.365 10.301 -5.513 1.00 51.12 H new ATOM 679 N VAL A 41 -6.009 14.228 -3.301 1.00 21.33 N ATOM 680 CA VAL A 41 -6.142 15.522 -2.647 1.00 35.45 C ATOM 681 C VAL A 41 -5.008 15.633 -1.598 1.00 2.14 C ATOM 682 O VAL A 41 -4.713 16.700 -1.049 1.00 12.52 O ATOM 683 CB VAL A 41 -7.548 15.665 -1.965 1.00 43.11 C ATOM 684 CG1 VAL A 41 -7.753 14.630 -0.864 1.00 71.13 C ATOM 685 CG2 VAL A 41 -7.783 17.079 -1.440 1.00 52.14 C ATOM 0 H VAL A 41 -6.683 13.531 -2.984 1.00 21.33 H new ATOM 0 HA VAL A 41 -6.062 16.325 -3.380 1.00 35.45 H new ATOM 0 HB VAL A 41 -8.292 15.473 -2.738 1.00 43.11 H new ATOM 0 HG11 VAL A 41 -8.738 14.764 -0.418 1.00 71.13 H new ATOM 0 HG12 VAL A 41 -7.680 13.628 -1.288 1.00 71.13 H new ATOM 0 HG13 VAL A 41 -6.988 14.757 -0.098 1.00 71.13 H new ATOM 0 HG21 VAL A 41 -8.767 17.136 -0.975 1.00 52.14 H new ATOM 0 HG22 VAL A 41 -7.019 17.325 -0.703 1.00 52.14 H new ATOM 0 HG23 VAL A 41 -7.731 17.787 -2.267 1.00 52.14 H new ATOM 695 N SER A 42 -4.380 14.498 -1.364 1.00 54.32 N ATOM 696 CA SER A 42 -3.266 14.360 -0.488 1.00 71.43 C ATOM 697 C SER A 42 -2.037 15.038 -1.108 1.00 34.41 C ATOM 698 O SER A 42 -1.942 15.149 -2.340 1.00 61.44 O ATOM 699 CB SER A 42 -3.041 12.859 -0.267 1.00 23.12 C ATOM 700 OG SER A 42 -3.017 12.159 -1.524 1.00 11.51 O ATOM 0 H SER A 42 -4.654 13.619 -1.804 1.00 54.32 H new ATOM 0 HA SER A 42 -3.447 14.843 0.472 1.00 71.43 H new ATOM 0 HB2 SER A 42 -2.101 12.701 0.261 1.00 23.12 H new ATOM 0 HB3 SER A 42 -3.833 12.456 0.364 1.00 23.12 H new ATOM 0 HG SER A 42 -2.137 12.267 -1.942 1.00 11.51 H new ATOM 706 N ARG A 43 -1.096 15.471 -0.279 1.00 60.23 N ATOM 707 CA ARG A 43 0.063 16.219 -0.777 1.00 23.33 C ATOM 708 C ARG A 43 1.033 15.367 -1.581 1.00 21.31 C ATOM 709 O ARG A 43 1.948 15.892 -2.204 1.00 53.44 O ATOM 710 CB ARG A 43 0.789 16.994 0.323 1.00 33.32 C ATOM 711 CG ARG A 43 1.353 16.153 1.452 1.00 54.13 C ATOM 712 CD ARG A 43 2.078 17.037 2.440 1.00 12.51 C ATOM 713 NE ARG A 43 2.627 16.299 3.573 1.00 71.13 N ATOM 714 CZ ARG A 43 3.374 16.849 4.538 1.00 51.15 C ATOM 715 NH1 ARG A 43 3.708 18.141 4.478 1.00 31.32 N ATOM 716 NH2 ARG A 43 3.794 16.112 5.552 1.00 42.41 N ATOM 0 H ARG A 43 -1.106 15.322 0.730 1.00 60.23 H new ATOM 0 HA ARG A 43 -0.356 16.952 -1.467 1.00 23.33 H new ATOM 0 HB2 ARG A 43 1.605 17.556 -0.131 1.00 33.32 H new ATOM 0 HB3 ARG A 43 0.098 17.723 0.747 1.00 33.32 H new ATOM 0 HG2 ARG A 43 0.548 15.616 1.954 1.00 54.13 H new ATOM 0 HG3 ARG A 43 2.036 15.403 1.052 1.00 54.13 H new ATOM 0 HD2 ARG A 43 2.887 17.558 1.927 1.00 12.51 H new ATOM 0 HD3 ARG A 43 1.391 17.799 2.809 1.00 12.51 H new ATOM 0 HE ARG A 43 2.429 15.300 3.633 1.00 71.13 H new ATOM 0 HH11 ARG A 43 3.394 18.713 3.694 1.00 31.32 H new ATOM 0 HH12 ARG A 43 4.277 18.555 5.216 1.00 31.32 H new ATOM 0 HH21 ARG A 43 3.549 15.123 5.600 1.00 42.41 H new ATOM 0 HH22 ARG A 43 4.363 16.532 6.287 1.00 42.41 H new ATOM 730 N TYR A 44 0.837 14.057 -1.574 1.00 31.45 N ATOM 731 CA TYR A 44 1.643 13.175 -2.379 1.00 1.02 C ATOM 732 C TYR A 44 1.150 13.258 -3.852 1.00 0.41 C ATOM 733 O TYR A 44 1.674 12.600 -4.738 1.00 4.24 O ATOM 734 CB TYR A 44 1.528 11.753 -1.836 1.00 71.30 C ATOM 735 CG TYR A 44 2.676 10.856 -2.198 1.00 31.23 C ATOM 736 CD1 TYR A 44 3.835 10.907 -1.461 1.00 45.50 C ATOM 737 CD2 TYR A 44 2.602 9.961 -3.243 1.00 1.42 C ATOM 738 CE1 TYR A 44 4.911 10.085 -1.755 1.00 34.11 C ATOM 739 CE2 TYR A 44 3.666 9.129 -3.547 1.00 62.42 C ATOM 740 CZ TYR A 44 4.815 9.197 -2.801 1.00 23.23 C ATOM 741 OH TYR A 44 5.868 8.363 -3.094 1.00 2.31 O ATOM 0 H TYR A 44 0.123 13.588 -1.016 1.00 31.45 H new ATOM 0 HA TYR A 44 2.692 13.468 -2.343 1.00 1.02 H new ATOM 0 HB2 TYR A 44 1.446 11.797 -0.750 1.00 71.30 H new ATOM 0 HB3 TYR A 44 0.605 11.309 -2.208 1.00 71.30 H new ATOM 0 HD1 TYR A 44 3.908 11.601 -0.637 1.00 45.50 H new ATOM 0 HD2 TYR A 44 1.700 9.908 -3.834 1.00 1.42 H new ATOM 0 HE1 TYR A 44 5.816 10.141 -1.169 1.00 34.11 H new ATOM 0 HE2 TYR A 44 3.592 8.430 -4.367 1.00 62.42 H new ATOM 0 HH TYR A 44 5.635 7.799 -3.861 1.00 2.31 H new ATOM 751 N ARG A 45 0.086 14.067 -4.064 1.00 40.12 N ATOM 752 CA ARG A 45 -0.463 14.394 -5.389 1.00 34.01 C ATOM 753 C ARG A 45 -1.088 13.201 -6.080 1.00 71.33 C ATOM 754 O ARG A 45 -1.228 13.179 -7.298 1.00 15.43 O ATOM 755 CB ARG A 45 0.603 15.071 -6.258 1.00 22.11 C ATOM 756 CG ARG A 45 1.086 16.381 -5.665 1.00 55.13 C ATOM 757 CD ARG A 45 2.153 17.039 -6.506 1.00 14.44 C ATOM 758 NE ARG A 45 2.612 18.279 -5.881 1.00 61.33 N ATOM 759 CZ ARG A 45 3.662 19.004 -6.266 1.00 3.22 C ATOM 760 NH1 ARG A 45 4.384 18.647 -7.329 1.00 15.52 N ATOM 761 NH2 ARG A 45 3.991 20.093 -5.576 1.00 24.14 N ATOM 0 H ARG A 45 -0.420 14.516 -3.301 1.00 40.12 H new ATOM 0 HA ARG A 45 -1.278 15.101 -5.236 1.00 34.01 H new ATOM 0 HB2 ARG A 45 1.450 14.396 -6.380 1.00 22.11 H new ATOM 0 HB3 ARG A 45 0.195 15.254 -7.252 1.00 22.11 H new ATOM 0 HG2 ARG A 45 0.241 17.061 -5.559 1.00 55.13 H new ATOM 0 HG3 ARG A 45 1.477 16.200 -4.664 1.00 55.13 H new ATOM 0 HD2 ARG A 45 2.994 16.357 -6.634 1.00 14.44 H new ATOM 0 HD3 ARG A 45 1.760 17.251 -7.500 1.00 14.44 H new ATOM 0 HE ARG A 45 2.081 18.619 -5.079 1.00 61.33 H new ATOM 0 HH11 ARG A 45 4.135 17.811 -7.857 1.00 15.52 H new ATOM 0 HH12 ARG A 45 5.185 19.210 -7.614 1.00 15.52 H new ATOM 0 HH21 ARG A 45 3.442 20.366 -4.761 1.00 24.14 H new ATOM 0 HH22 ARG A 45 4.793 20.655 -5.862 1.00 24.14 H new ATOM 775 N GLY A 46 -1.493 12.226 -5.298 1.00 55.40 N ATOM 776 CA GLY A 46 -2.167 11.064 -5.842 1.00 73.22 C ATOM 777 C GLY A 46 -1.220 10.049 -6.391 1.00 73.40 C ATOM 778 O GLY A 46 -1.641 9.010 -6.884 1.00 61.03 O ATOM 0 H GLY A 46 -1.369 12.212 -4.286 1.00 55.40 H new ATOM 0 HA2 GLY A 46 -2.774 10.604 -5.062 1.00 73.22 H new ATOM 0 HA3 GLY A 46 -2.849 11.382 -6.631 1.00 73.22 H new ATOM 782 N GLN A 47 0.054 10.349 -6.291 1.00 12.42 N ATOM 783 CA GLN A 47 1.102 9.475 -6.739 1.00 65.34 C ATOM 784 C GLN A 47 1.132 8.220 -5.885 1.00 31.12 C ATOM 785 O GLN A 47 0.618 8.205 -4.731 1.00 60.23 O ATOM 786 CB GLN A 47 2.440 10.203 -6.731 1.00 54.12 C ATOM 787 CG GLN A 47 2.477 11.393 -7.673 1.00 32.41 C ATOM 788 CD GLN A 47 3.758 12.182 -7.579 1.00 72.43 C ATOM 789 OE1 GLN A 47 4.822 11.638 -7.271 1.00 2.24 O ATOM 790 NE2 GLN A 47 3.679 13.456 -7.851 1.00 42.13 N ATOM 0 H GLN A 47 0.392 11.223 -5.889 1.00 12.42 H new ATOM 0 HA GLN A 47 0.905 9.171 -7.767 1.00 65.34 H new ATOM 0 HB2 GLN A 47 2.656 10.542 -5.718 1.00 54.12 H new ATOM 0 HB3 GLN A 47 3.229 9.504 -7.008 1.00 54.12 H new ATOM 0 HG2 GLN A 47 2.348 11.042 -8.697 1.00 32.41 H new ATOM 0 HG3 GLN A 47 1.636 12.050 -7.452 1.00 32.41 H new ATOM 0 HE21 GLN A 47 2.781 13.869 -8.102 1.00 42.13 H new ATOM 0 HE22 GLN A 47 4.515 14.038 -7.813 1.00 42.13 H new ATOM 799 N GLU A 48 1.681 7.181 -6.421 1.00 32.21 N ATOM 800 CA GLU A 48 1.671 5.934 -5.752 1.00 13.43 C ATOM 801 C GLU A 48 2.916 5.753 -4.912 1.00 25.24 C ATOM 802 O GLU A 48 4.026 6.146 -5.300 1.00 41.50 O ATOM 803 CB GLU A 48 1.537 4.735 -6.712 1.00 13.13 C ATOM 804 CG GLU A 48 0.377 4.785 -7.710 1.00 70.51 C ATOM 805 CD GLU A 48 0.698 5.592 -8.951 1.00 14.43 C ATOM 806 OE1 GLU A 48 1.287 5.017 -9.887 1.00 74.24 O ATOM 807 OE2 GLU A 48 0.374 6.790 -9.023 1.00 13.44 O ATOM 0 H GLU A 48 2.145 7.177 -7.329 1.00 32.21 H new ATOM 0 HA GLU A 48 0.789 5.953 -5.111 1.00 13.43 H new ATOM 0 HB2 GLU A 48 2.466 4.642 -7.274 1.00 13.13 H new ATOM 0 HB3 GLU A 48 1.434 3.829 -6.114 1.00 13.13 H new ATOM 0 HG2 GLU A 48 0.113 3.769 -8.003 1.00 70.51 H new ATOM 0 HG3 GLU A 48 -0.498 5.214 -7.221 1.00 70.51 H new ATOM 814 N HIS A 49 2.719 5.187 -3.762 1.00 63.00 N ATOM 815 CA HIS A 49 3.795 4.821 -2.877 1.00 24.30 C ATOM 816 C HIS A 49 4.115 3.387 -3.152 1.00 41.43 C ATOM 817 O HIS A 49 3.249 2.649 -3.624 1.00 21.13 O ATOM 818 CB HIS A 49 3.370 4.890 -1.407 1.00 23.33 C ATOM 819 CG HIS A 49 3.047 6.234 -0.839 1.00 15.25 C ATOM 820 ND1 HIS A 49 3.717 6.750 0.238 1.00 12.24 N ATOM 821 CD2 HIS A 49 2.069 7.116 -1.123 1.00 63.12 C ATOM 822 CE1 HIS A 49 3.172 7.884 0.596 1.00 1.23 C ATOM 823 NE2 HIS A 49 2.171 8.136 -0.210 1.00 63.32 N ATOM 0 H HIS A 49 1.793 4.960 -3.400 1.00 63.00 H new ATOM 0 HA HIS A 49 4.630 5.501 -3.043 1.00 24.30 H new ATOM 0 HB2 HIS A 49 2.494 4.254 -1.281 1.00 23.33 H new ATOM 0 HB3 HIS A 49 4.169 4.455 -0.806 1.00 23.33 H new ATOM 0 HD2 HIS A 49 1.343 7.036 -1.918 1.00 63.12 H new ATOM 0 HE1 HIS A 49 3.493 8.507 1.417 1.00 1.23 H new ATOM 0 HE2 HIS A 49 1.566 8.956 -0.166 1.00 63.32 H new ATOM 832 N CYS A 50 5.298 2.978 -2.866 1.00 51.00 N ATOM 833 CA CYS A 50 5.615 1.586 -3.003 1.00 45.23 C ATOM 834 C CYS A 50 6.091 1.062 -1.673 1.00 62.04 C ATOM 835 O CYS A 50 6.981 1.649 -1.041 1.00 25.45 O ATOM 836 CB CYS A 50 6.619 1.312 -4.145 1.00 72.14 C ATOM 837 SG CYS A 50 8.250 2.140 -3.998 1.00 53.14 S ATOM 0 H CYS A 50 6.060 3.571 -2.539 1.00 51.00 H new ATOM 0 HA CYS A 50 4.713 1.047 -3.293 1.00 45.23 H new ATOM 0 HB2 CYS A 50 6.784 0.236 -4.207 1.00 72.14 H new ATOM 0 HB3 CYS A 50 6.162 1.619 -5.086 1.00 72.14 H new ATOM 0 HG CYS A 50 8.991 1.823 -5.018 1.00 53.14 H new ATOM 842 N LEU A 51 5.471 0.007 -1.217 1.00 51.11 N ATOM 843 CA LEU A 51 5.817 -0.575 0.047 1.00 44.21 C ATOM 844 C LEU A 51 6.334 -1.989 -0.191 1.00 2.30 C ATOM 845 O LEU A 51 5.811 -2.721 -1.047 1.00 2.34 O ATOM 846 CB LEU A 51 4.606 -0.542 1.001 1.00 74.23 C ATOM 847 CG LEU A 51 4.835 -1.001 2.447 1.00 12.11 C ATOM 848 CD1 LEU A 51 5.932 -0.175 3.113 1.00 12.00 C ATOM 849 CD2 LEU A 51 3.541 -0.879 3.238 1.00 23.30 C ATOM 0 H LEU A 51 4.716 -0.470 -1.710 1.00 51.11 H new ATOM 0 HA LEU A 51 6.608 0.000 0.529 1.00 44.21 H new ATOM 0 HB2 LEU A 51 4.226 0.479 1.028 1.00 74.23 H new ATOM 0 HB3 LEU A 51 3.821 -1.163 0.570 1.00 74.23 H new ATOM 0 HG LEU A 51 5.153 -2.043 2.431 1.00 12.11 H new ATOM 0 HD11 LEU A 51 6.076 -0.519 4.137 1.00 12.00 H new ATOM 0 HD12 LEU A 51 6.863 -0.291 2.557 1.00 12.00 H new ATOM 0 HD13 LEU A 51 5.642 0.876 3.121 1.00 12.00 H new ATOM 0 HD21 LEU A 51 3.709 -1.206 4.264 1.00 23.30 H new ATOM 0 HD22 LEU A 51 3.211 0.160 3.238 1.00 23.30 H new ATOM 0 HD23 LEU A 51 2.774 -1.503 2.779 1.00 23.30 H new ATOM 861 N HIS A 52 7.358 -2.362 0.543 1.00 3.11 N ATOM 862 CA HIS A 52 8.041 -3.612 0.319 1.00 62.13 C ATOM 863 C HIS A 52 7.396 -4.739 1.159 1.00 14.04 C ATOM 864 O HIS A 52 7.375 -4.669 2.389 1.00 75.24 O ATOM 865 CB HIS A 52 9.530 -3.432 0.660 1.00 74.11 C ATOM 866 CG HIS A 52 10.415 -4.492 0.105 1.00 71.44 C ATOM 867 ND1 HIS A 52 11.280 -5.242 0.859 1.00 71.21 N ATOM 868 CD2 HIS A 52 10.596 -4.891 -1.170 1.00 64.43 C ATOM 869 CE1 HIS A 52 11.943 -6.054 0.069 1.00 33.25 C ATOM 870 NE2 HIS A 52 11.550 -5.858 -1.165 1.00 61.33 N ATOM 0 H HIS A 52 7.739 -1.808 1.310 1.00 3.11 H new ATOM 0 HA HIS A 52 7.953 -3.902 -0.728 1.00 62.13 H new ATOM 0 HB2 HIS A 52 9.863 -2.464 0.286 1.00 74.11 H new ATOM 0 HB3 HIS A 52 9.643 -3.411 1.744 1.00 74.11 H new ATOM 0 HD2 HIS A 52 10.077 -4.511 -2.038 1.00 64.43 H new ATOM 0 HE1 HIS A 52 12.690 -6.767 0.385 1.00 33.25 H new ATOM 0 HE2 HIS A 52 11.902 -6.350 -1.986 1.00 61.33 H new ATOM 879 N PRO A 53 6.878 -5.794 0.489 1.00 51.34 N ATOM 880 CA PRO A 53 6.129 -6.908 1.145 1.00 43.23 C ATOM 881 C PRO A 53 6.969 -7.834 2.050 1.00 51.01 C ATOM 882 O PRO A 53 6.452 -8.801 2.599 1.00 12.45 O ATOM 883 CB PRO A 53 5.564 -7.702 -0.030 1.00 43.32 C ATOM 884 CG PRO A 53 6.447 -7.382 -1.187 1.00 14.13 C ATOM 885 CD PRO A 53 6.938 -5.980 -0.976 1.00 71.51 C ATOM 0 HA PRO A 53 5.387 -6.496 1.829 1.00 43.23 H new ATOM 0 HB2 PRO A 53 5.566 -8.771 0.182 1.00 43.32 H new ATOM 0 HB3 PRO A 53 4.531 -7.420 -0.234 1.00 43.32 H new ATOM 0 HG2 PRO A 53 7.282 -8.081 -1.242 1.00 14.13 H new ATOM 0 HG3 PRO A 53 5.900 -7.464 -2.126 1.00 14.13 H new ATOM 0 HD2 PRO A 53 7.953 -5.852 -1.353 1.00 71.51 H new ATOM 0 HD3 PRO A 53 6.311 -5.256 -1.496 1.00 71.51 H new ATOM 893 N LYS A 54 8.247 -7.556 2.187 1.00 2.22 N ATOM 894 CA LYS A 54 9.107 -8.341 3.070 1.00 73.41 C ATOM 895 C LYS A 54 8.961 -7.922 4.529 1.00 52.50 C ATOM 896 O LYS A 54 9.398 -8.621 5.430 1.00 53.42 O ATOM 897 CB LYS A 54 10.540 -8.205 2.637 1.00 13.42 C ATOM 898 CG LYS A 54 10.797 -8.838 1.301 1.00 44.54 C ATOM 899 CD LYS A 54 10.747 -10.343 1.360 1.00 54.44 C ATOM 900 CE LYS A 54 10.770 -10.903 -0.030 1.00 61.23 C ATOM 901 NZ LYS A 54 10.865 -12.367 -0.056 1.00 22.31 N ATOM 0 H LYS A 54 8.721 -6.794 1.702 1.00 2.22 H new ATOM 0 HA LYS A 54 8.796 -9.383 2.996 1.00 73.41 H new ATOM 0 HB2 LYS A 54 10.804 -7.148 2.592 1.00 13.42 H new ATOM 0 HB3 LYS A 54 11.187 -8.664 3.384 1.00 13.42 H new ATOM 0 HG2 LYS A 54 10.058 -8.480 0.584 1.00 44.54 H new ATOM 0 HG3 LYS A 54 11.774 -8.524 0.935 1.00 44.54 H new ATOM 0 HD2 LYS A 54 11.595 -10.723 1.930 1.00 54.44 H new ATOM 0 HD3 LYS A 54 9.844 -10.667 1.878 1.00 54.44 H new ATOM 0 HE2 LYS A 54 9.867 -10.594 -0.556 1.00 61.23 H new ATOM 0 HE3 LYS A 54 11.615 -10.480 -0.573 1.00 61.23 H new ATOM 0 HZ1 LYS A 54 11.712 -12.651 -0.589 1.00 22.31 H new ATOM 0 HZ2 LYS A 54 10.932 -12.728 0.917 1.00 22.31 H new ATOM 0 HZ3 LYS A 54 10.019 -12.762 -0.514 1.00 22.31 H new ATOM 915 N LEU A 55 8.353 -6.773 4.747 1.00 2.30 N ATOM 916 CA LEU A 55 8.197 -6.228 6.084 1.00 51.11 C ATOM 917 C LEU A 55 6.905 -6.703 6.733 1.00 42.24 C ATOM 918 O LEU A 55 5.864 -6.797 6.073 1.00 21.52 O ATOM 919 CB LEU A 55 8.225 -4.699 6.033 1.00 40.51 C ATOM 920 CG LEU A 55 9.512 -4.065 5.500 1.00 71.51 C ATOM 921 CD1 LEU A 55 9.366 -2.557 5.423 1.00 3.31 C ATOM 922 CD2 LEU A 55 10.694 -4.436 6.383 1.00 64.22 C ATOM 0 H LEU A 55 7.955 -6.193 4.009 1.00 2.30 H new ATOM 0 HA LEU A 55 9.029 -6.587 6.691 1.00 51.11 H new ATOM 0 HB2 LEU A 55 7.394 -4.361 5.413 1.00 40.51 H new ATOM 0 HB3 LEU A 55 8.047 -4.319 7.039 1.00 40.51 H new ATOM 0 HG LEU A 55 9.695 -4.449 4.496 1.00 71.51 H new ATOM 0 HD11 LEU A 55 10.290 -2.121 5.042 1.00 3.31 H new ATOM 0 HD12 LEU A 55 8.543 -2.305 4.754 1.00 3.31 H new ATOM 0 HD13 LEU A 55 9.160 -2.160 6.417 1.00 3.31 H new ATOM 0 HD21 LEU A 55 11.601 -3.977 5.989 1.00 64.22 H new ATOM 0 HD22 LEU A 55 10.517 -4.078 7.397 1.00 64.22 H new ATOM 0 HD23 LEU A 55 10.812 -5.519 6.396 1.00 64.22 H new ATOM 934 N GLN A 56 6.974 -6.981 8.025 1.00 3.03 N ATOM 935 CA GLN A 56 5.819 -7.442 8.797 1.00 33.03 C ATOM 936 C GLN A 56 4.804 -6.308 8.943 1.00 53.33 C ATOM 937 O GLN A 56 3.589 -6.538 8.987 1.00 22.53 O ATOM 938 CB GLN A 56 6.270 -7.939 10.181 1.00 61.33 C ATOM 939 CG GLN A 56 5.155 -8.514 11.047 1.00 5.45 C ATOM 940 CD GLN A 56 4.485 -9.712 10.406 1.00 32.11 C ATOM 941 OE1 GLN A 56 3.503 -9.577 9.673 1.00 72.43 O ATOM 942 NE2 GLN A 56 4.989 -10.882 10.680 1.00 53.32 N ATOM 0 H GLN A 56 7.830 -6.895 8.573 1.00 3.03 H new ATOM 0 HA GLN A 56 5.347 -8.270 8.269 1.00 33.03 H new ATOM 0 HB2 GLN A 56 7.036 -8.702 10.046 1.00 61.33 H new ATOM 0 HB3 GLN A 56 6.736 -7.111 10.715 1.00 61.33 H new ATOM 0 HG2 GLN A 56 5.564 -8.804 12.015 1.00 5.45 H new ATOM 0 HG3 GLN A 56 4.409 -7.741 11.235 1.00 5.45 H new ATOM 0 HE21 GLN A 56 5.803 -10.957 11.291 1.00 53.32 H new ATOM 0 HE22 GLN A 56 4.570 -11.723 10.284 1.00 53.32 H new ATOM 951 N SER A 57 5.314 -5.081 9.000 1.00 73.12 N ATOM 952 CA SER A 57 4.476 -3.895 9.088 1.00 5.12 C ATOM 953 C SER A 57 3.576 -3.813 7.858 1.00 45.14 C ATOM 954 O SER A 57 2.388 -3.474 7.952 1.00 34.15 O ATOM 955 CB SER A 57 5.356 -2.655 9.180 1.00 60.11 C ATOM 956 OG SER A 57 6.253 -2.758 10.286 1.00 33.42 O ATOM 0 H SER A 57 6.315 -4.884 8.986 1.00 73.12 H new ATOM 0 HA SER A 57 3.852 -3.953 9.980 1.00 5.12 H new ATOM 0 HB2 SER A 57 5.921 -2.534 8.256 1.00 60.11 H new ATOM 0 HB3 SER A 57 4.733 -1.767 9.291 1.00 60.11 H new ATOM 0 HG SER A 57 6.812 -1.954 10.330 1.00 33.42 H new ATOM 962 N THR A 58 4.154 -4.158 6.711 1.00 41.35 N ATOM 963 CA THR A 58 3.449 -4.193 5.466 1.00 30.33 C ATOM 964 C THR A 58 2.312 -5.213 5.567 1.00 53.13 C ATOM 965 O THR A 58 1.175 -4.921 5.249 1.00 60.15 O ATOM 966 CB THR A 58 4.422 -4.605 4.331 1.00 44.21 C ATOM 967 OG1 THR A 58 5.567 -3.738 4.355 1.00 13.05 O ATOM 968 CG2 THR A 58 3.756 -4.506 2.968 1.00 20.14 C ATOM 0 H THR A 58 5.137 -4.421 6.636 1.00 41.35 H new ATOM 0 HA THR A 58 3.039 -3.208 5.245 1.00 30.33 H new ATOM 0 HB THR A 58 4.720 -5.641 4.495 1.00 44.21 H new ATOM 0 HG1 THR A 58 6.209 -4.026 3.673 1.00 13.05 H new ATOM 0 HG21 THR A 58 4.465 -4.802 2.194 1.00 20.14 H new ATOM 0 HG22 THR A 58 2.889 -5.166 2.938 1.00 20.14 H new ATOM 0 HG23 THR A 58 3.436 -3.479 2.793 1.00 20.14 H new ATOM 976 N LYS A 59 2.628 -6.382 6.082 1.00 65.52 N ATOM 977 CA LYS A 59 1.670 -7.453 6.198 1.00 11.53 C ATOM 978 C LYS A 59 0.505 -7.149 7.109 1.00 4.54 C ATOM 979 O LYS A 59 -0.560 -7.711 6.939 1.00 45.13 O ATOM 980 CB LYS A 59 2.322 -8.746 6.537 1.00 30.21 C ATOM 981 CG LYS A 59 3.268 -9.184 5.463 1.00 41.03 C ATOM 982 CD LYS A 59 3.842 -10.499 5.793 1.00 3.25 C ATOM 983 CE LYS A 59 4.902 -10.893 4.787 1.00 40.32 C ATOM 984 NZ LYS A 59 5.454 -12.237 5.050 1.00 43.31 N ATOM 0 H LYS A 59 3.558 -6.614 6.431 1.00 65.52 H new ATOM 0 HA LYS A 59 1.232 -7.552 5.205 1.00 11.53 H new ATOM 0 HB2 LYS A 59 2.861 -8.646 7.479 1.00 30.21 H new ATOM 0 HB3 LYS A 59 1.560 -9.511 6.685 1.00 30.21 H new ATOM 0 HG2 LYS A 59 2.745 -9.237 4.508 1.00 41.03 H new ATOM 0 HG3 LYS A 59 4.065 -8.450 5.350 1.00 41.03 H new ATOM 0 HD2 LYS A 59 4.276 -10.470 6.792 1.00 3.25 H new ATOM 0 HD3 LYS A 59 3.053 -11.251 5.810 1.00 3.25 H new ATOM 0 HE2 LYS A 59 4.475 -10.868 3.784 1.00 40.32 H new ATOM 0 HE3 LYS A 59 5.709 -10.161 4.808 1.00 40.32 H new ATOM 0 HZ1 LYS A 59 6.175 -12.462 4.335 1.00 43.31 H new ATOM 0 HZ2 LYS A 59 5.886 -12.256 5.996 1.00 43.31 H new ATOM 0 HZ3 LYS A 59 4.690 -12.941 5.004 1.00 43.31 H new ATOM 998 N ARG A 60 0.681 -6.309 8.094 1.00 52.43 N ATOM 999 CA ARG A 60 -0.473 -5.933 8.866 1.00 14.11 C ATOM 1000 C ARG A 60 -1.255 -4.923 8.055 1.00 40.04 C ATOM 1001 O ARG A 60 -2.416 -5.109 7.797 1.00 4.45 O ATOM 1002 CB ARG A 60 -0.126 -5.285 10.191 1.00 25.24 C ATOM 1003 CG ARG A 60 -1.315 -5.223 11.132 1.00 5.42 C ATOM 1004 CD ARG A 60 -1.106 -4.226 12.250 1.00 64.12 C ATOM 1005 NE ARG A 60 -1.183 -2.844 11.747 1.00 43.04 N ATOM 1006 CZ ARG A 60 -0.717 -1.756 12.374 1.00 22.22 C ATOM 1007 NH1 ARG A 60 -0.003 -1.866 13.496 1.00 10.24 N ATOM 1008 NH2 ARG A 60 -0.958 -0.555 11.860 1.00 63.43 N ATOM 0 H ARG A 60 1.568 -5.889 8.372 1.00 52.43 H new ATOM 0 HA ARG A 60 -1.034 -6.842 9.082 1.00 14.11 H new ATOM 0 HB2 ARG A 60 0.681 -5.843 10.665 1.00 25.24 H new ATOM 0 HB3 ARG A 60 0.246 -4.276 10.013 1.00 25.24 H new ATOM 0 HG2 ARG A 60 -2.208 -4.953 10.569 1.00 5.42 H new ATOM 0 HG3 ARG A 60 -1.492 -6.211 11.557 1.00 5.42 H new ATOM 0 HD2 ARG A 60 -1.860 -4.378 13.023 1.00 64.12 H new ATOM 0 HD3 ARG A 60 -0.134 -4.394 12.715 1.00 64.12 H new ATOM 0 HE ARG A 60 -1.631 -2.703 10.841 1.00 43.04 H new ATOM 0 HH11 ARG A 60 0.194 -2.787 13.887 1.00 10.24 H new ATOM 0 HH12 ARG A 60 0.346 -1.029 13.963 1.00 10.24 H new ATOM 0 HH21 ARG A 60 -1.493 -0.468 10.996 1.00 63.43 H new ATOM 0 HH22 ARG A 60 -0.608 0.280 12.329 1.00 63.43 H new ATOM 1022 N PHE A 61 -0.552 -3.876 7.614 1.00 71.55 N ATOM 1023 CA PHE A 61 -1.145 -2.728 6.924 1.00 62.42 C ATOM 1024 C PHE A 61 -1.951 -3.146 5.693 1.00 32.24 C ATOM 1025 O PHE A 61 -3.059 -2.671 5.487 1.00 31.15 O ATOM 1026 CB PHE A 61 -0.039 -1.740 6.519 1.00 4.21 C ATOM 1027 CG PHE A 61 -0.521 -0.405 5.969 1.00 65.42 C ATOM 1028 CD1 PHE A 61 -0.807 0.639 6.830 1.00 4.05 C ATOM 1029 CD2 PHE A 61 -0.671 -0.197 4.605 1.00 50.40 C ATOM 1030 CE1 PHE A 61 -1.232 1.862 6.349 1.00 63.21 C ATOM 1031 CE2 PHE A 61 -1.096 1.031 4.117 1.00 23.04 C ATOM 1032 CZ PHE A 61 -1.374 2.062 4.992 1.00 31.42 C ATOM 0 H PHE A 61 0.459 -3.801 7.728 1.00 71.55 H new ATOM 0 HA PHE A 61 -1.837 -2.248 7.616 1.00 62.42 H new ATOM 0 HB2 PHE A 61 0.590 -1.549 7.389 1.00 4.21 H new ATOM 0 HB3 PHE A 61 0.592 -2.216 5.768 1.00 4.21 H new ATOM 0 HD1 PHE A 61 -0.696 0.496 7.895 1.00 4.05 H new ATOM 0 HD2 PHE A 61 -0.455 -1.000 3.916 1.00 50.40 H new ATOM 0 HE1 PHE A 61 -1.454 2.664 7.038 1.00 63.21 H new ATOM 0 HE2 PHE A 61 -1.209 1.180 3.053 1.00 23.04 H new ATOM 0 HZ PHE A 61 -1.701 3.020 4.616 1.00 31.42 H new ATOM 1042 N ILE A 62 -1.402 -4.050 4.902 1.00 64.10 N ATOM 1043 CA ILE A 62 -2.040 -4.469 3.667 1.00 34.04 C ATOM 1044 C ILE A 62 -3.283 -5.270 3.955 1.00 30.20 C ATOM 1045 O ILE A 62 -4.346 -5.033 3.385 1.00 63.41 O ATOM 1046 CB ILE A 62 -1.067 -5.308 2.797 1.00 5.23 C ATOM 1047 CG1 ILE A 62 0.198 -4.504 2.492 1.00 24.44 C ATOM 1048 CG2 ILE A 62 -1.728 -5.804 1.523 1.00 44.41 C ATOM 1049 CD1 ILE A 62 -0.056 -3.132 1.935 1.00 51.45 C ATOM 0 H ILE A 62 -0.512 -4.510 5.094 1.00 64.10 H new ATOM 0 HA ILE A 62 -2.317 -3.570 3.115 1.00 34.04 H new ATOM 0 HB ILE A 62 -0.786 -6.193 3.368 1.00 5.23 H new ATOM 0 HG12 ILE A 62 0.782 -4.409 3.407 1.00 24.44 H new ATOM 0 HG13 ILE A 62 0.807 -5.064 1.782 1.00 24.44 H new ATOM 0 HG21 ILE A 62 -1.011 -6.387 0.944 1.00 44.41 H new ATOM 0 HG22 ILE A 62 -2.584 -6.430 1.777 1.00 44.41 H new ATOM 0 HG23 ILE A 62 -2.064 -4.952 0.932 1.00 44.41 H new ATOM 0 HD11 ILE A 62 0.895 -2.633 1.748 1.00 51.45 H new ATOM 0 HD12 ILE A 62 -0.611 -3.216 1.001 1.00 51.45 H new ATOM 0 HD13 ILE A 62 -0.636 -2.550 2.651 1.00 51.45 H new ATOM 1061 N LYS A 63 -3.149 -6.182 4.870 1.00 61.32 N ATOM 1062 CA LYS A 63 -4.228 -7.078 5.234 1.00 30.13 C ATOM 1063 C LYS A 63 -5.319 -6.320 5.972 1.00 71.43 C ATOM 1064 O LYS A 63 -6.502 -6.651 5.890 1.00 54.15 O ATOM 1065 CB LYS A 63 -3.700 -8.285 6.048 1.00 65.21 C ATOM 1066 CG LYS A 63 -2.897 -9.323 5.214 1.00 51.15 C ATOM 1067 CD LYS A 63 -1.754 -8.675 4.446 1.00 42.35 C ATOM 1068 CE LYS A 63 -0.889 -9.649 3.711 1.00 75.32 C ATOM 1069 NZ LYS A 63 -1.619 -10.421 2.687 1.00 61.41 N ATOM 0 H LYS A 63 -2.287 -6.334 5.394 1.00 61.32 H new ATOM 0 HA LYS A 63 -4.669 -7.483 4.323 1.00 30.13 H new ATOM 0 HB2 LYS A 63 -3.065 -7.915 6.853 1.00 65.21 H new ATOM 0 HB3 LYS A 63 -4.545 -8.789 6.516 1.00 65.21 H new ATOM 0 HG2 LYS A 63 -2.499 -10.091 5.877 1.00 51.15 H new ATOM 0 HG3 LYS A 63 -3.567 -9.822 4.514 1.00 51.15 H new ATOM 0 HD2 LYS A 63 -2.167 -7.961 3.733 1.00 42.35 H new ATOM 0 HD3 LYS A 63 -1.136 -8.109 5.143 1.00 42.35 H new ATOM 0 HE2 LYS A 63 -0.070 -9.110 3.234 1.00 75.32 H new ATOM 0 HE3 LYS A 63 -0.442 -10.339 4.426 1.00 75.32 H new ATOM 0 HZ1 LYS A 63 -0.961 -11.065 2.203 1.00 61.41 H new ATOM 0 HZ2 LYS A 63 -2.373 -10.974 3.142 1.00 61.41 H new ATOM 0 HZ3 LYS A 63 -2.038 -9.769 1.994 1.00 61.41 H new ATOM 1083 N TRP A 64 -4.896 -5.290 6.665 1.00 13.21 N ATOM 1084 CA TRP A 64 -5.770 -4.437 7.427 1.00 32.53 C ATOM 1085 C TRP A 64 -6.558 -3.578 6.440 1.00 14.34 C ATOM 1086 O TRP A 64 -7.782 -3.443 6.547 1.00 40.43 O ATOM 1087 CB TRP A 64 -4.916 -3.529 8.313 1.00 22.44 C ATOM 1088 CG TRP A 64 -5.552 -3.098 9.595 1.00 20.12 C ATOM 1089 CD1 TRP A 64 -5.175 -3.504 10.833 1.00 65.00 C ATOM 1090 CD2 TRP A 64 -6.664 -2.199 9.787 1.00 63.53 C ATOM 1091 NE1 TRP A 64 -5.966 -2.920 11.783 1.00 65.40 N ATOM 1092 CE2 TRP A 64 -6.891 -2.121 11.169 1.00 70.52 C ATOM 1093 CE3 TRP A 64 -7.486 -1.455 8.930 1.00 52.53 C ATOM 1094 CZ2 TRP A 64 -7.900 -1.334 11.718 1.00 30.51 C ATOM 1095 CZ3 TRP A 64 -8.485 -0.679 9.476 1.00 41.34 C ATOM 1096 CH2 TRP A 64 -8.685 -0.621 10.856 1.00 63.01 C ATOM 0 H TRP A 64 -3.914 -5.018 6.715 1.00 13.21 H new ATOM 0 HA TRP A 64 -6.447 -5.024 8.048 1.00 32.53 H new ATOM 0 HB2 TRP A 64 -3.986 -4.048 8.545 1.00 22.44 H new ATOM 0 HB3 TRP A 64 -4.650 -2.639 7.742 1.00 22.44 H new ATOM 0 HD1 TRP A 64 -4.366 -4.190 11.039 1.00 65.00 H new ATOM 0 HE1 TRP A 64 -5.880 -3.058 12.790 1.00 65.40 H new ATOM 0 HE3 TRP A 64 -7.339 -1.489 7.861 1.00 52.53 H new ATOM 0 HZ2 TRP A 64 -8.056 -1.289 12.786 1.00 30.51 H new ATOM 0 HZ3 TRP A 64 -9.126 -0.104 8.823 1.00 41.34 H new ATOM 0 HH2 TRP A 64 -9.476 -0.000 11.251 1.00 63.01 H new ATOM 1107 N TYR A 65 -5.841 -3.020 5.445 1.00 30.13 N ATOM 1108 CA TYR A 65 -6.459 -2.186 4.438 1.00 51.14 C ATOM 1109 C TYR A 65 -7.483 -2.956 3.655 1.00 41.04 C ATOM 1110 O TYR A 65 -8.498 -2.406 3.276 1.00 72.14 O ATOM 1111 CB TYR A 65 -5.450 -1.506 3.493 1.00 15.25 C ATOM 1112 CG TYR A 65 -6.144 -0.575 2.502 1.00 40.42 C ATOM 1113 CD1 TYR A 65 -6.665 0.639 2.921 1.00 53.03 C ATOM 1114 CD2 TYR A 65 -6.304 -0.924 1.164 1.00 33.30 C ATOM 1115 CE1 TYR A 65 -7.324 1.473 2.046 1.00 21.24 C ATOM 1116 CE2 TYR A 65 -6.956 -0.084 0.283 1.00 3.20 C ATOM 1117 CZ TYR A 65 -7.465 1.106 0.731 1.00 70.13 C ATOM 1118 OH TYR A 65 -8.126 1.936 -0.144 1.00 14.42 O ATOM 0 H TYR A 65 -4.835 -3.142 5.331 1.00 30.13 H new ATOM 0 HA TYR A 65 -6.955 -1.382 4.982 1.00 51.14 H new ATOM 0 HB2 TYR A 65 -4.727 -0.939 4.080 1.00 15.25 H new ATOM 0 HB3 TYR A 65 -4.892 -2.267 2.948 1.00 15.25 H new ATOM 0 HD1 TYR A 65 -6.552 0.936 3.953 1.00 53.03 H new ATOM 0 HD2 TYR A 65 -5.912 -1.866 0.810 1.00 33.30 H new ATOM 0 HE1 TYR A 65 -7.728 2.412 2.393 1.00 21.24 H new ATOM 0 HE2 TYR A 65 -7.064 -0.364 -0.754 1.00 3.20 H new ATOM 0 HH TYR A 65 -8.093 2.857 0.190 1.00 14.42 H new ATOM 1128 N ASN A 66 -7.211 -4.236 3.405 1.00 1.42 N ATOM 1129 CA ASN A 66 -8.171 -5.094 2.707 1.00 5.03 C ATOM 1130 C ASN A 66 -9.516 -5.058 3.391 1.00 54.41 C ATOM 1131 O ASN A 66 -10.527 -4.880 2.746 1.00 43.35 O ATOM 1132 CB ASN A 66 -7.685 -6.549 2.588 1.00 43.12 C ATOM 1133 CG ASN A 66 -6.474 -6.708 1.697 1.00 23.33 C ATOM 1134 OD1 ASN A 66 -6.267 -5.941 0.751 1.00 10.35 O ATOM 1135 ND2 ASN A 66 -5.676 -7.715 1.967 1.00 75.34 N ATOM 0 H ASN A 66 -6.343 -4.700 3.672 1.00 1.42 H new ATOM 0 HA ASN A 66 -8.266 -4.696 1.697 1.00 5.03 H new ATOM 0 HB2 ASN A 66 -7.447 -6.927 3.582 1.00 43.12 H new ATOM 0 HB3 ASN A 66 -8.496 -7.164 2.199 1.00 43.12 H new ATOM 0 HD21 ASN A 66 -4.854 -7.884 1.387 1.00 75.34 H new ATOM 0 HD22 ASN A 66 -5.878 -8.328 2.757 1.00 75.34 H new ATOM 1142 N ALA A 67 -9.513 -5.181 4.714 1.00 2.34 N ATOM 1143 CA ALA A 67 -10.754 -5.147 5.486 1.00 72.15 C ATOM 1144 C ALA A 67 -11.423 -3.776 5.354 1.00 44.51 C ATOM 1145 O ALA A 67 -12.602 -3.676 5.031 1.00 23.50 O ATOM 1146 CB ALA A 67 -10.480 -5.477 6.948 1.00 65.11 C ATOM 0 H ALA A 67 -8.670 -5.305 5.274 1.00 2.34 H new ATOM 0 HA ALA A 67 -11.434 -5.901 5.089 1.00 72.15 H new ATOM 0 HB1 ALA A 67 -11.414 -5.447 7.509 1.00 65.11 H new ATOM 0 HB2 ALA A 67 -10.045 -6.474 7.021 1.00 65.11 H new ATOM 0 HB3 ALA A 67 -9.785 -4.746 7.362 1.00 65.11 H new ATOM 1152 N TRP A 68 -10.638 -2.735 5.573 1.00 14.42 N ATOM 1153 CA TRP A 68 -11.085 -1.338 5.466 1.00 22.25 C ATOM 1154 C TRP A 68 -11.678 -1.052 4.096 1.00 41.13 C ATOM 1155 O TRP A 68 -12.775 -0.489 3.990 1.00 62.54 O ATOM 1156 CB TRP A 68 -9.880 -0.405 5.760 1.00 73.21 C ATOM 1157 CG TRP A 68 -10.073 1.070 5.473 1.00 24.43 C ATOM 1158 CD1 TRP A 68 -9.930 1.684 4.258 1.00 22.41 C ATOM 1159 CD2 TRP A 68 -10.387 2.114 6.405 1.00 63.55 C ATOM 1160 NE1 TRP A 68 -10.157 3.025 4.373 1.00 3.31 N ATOM 1161 CE2 TRP A 68 -10.436 3.321 5.672 1.00 61.22 C ATOM 1162 CE3 TRP A 68 -10.642 2.154 7.779 1.00 72.22 C ATOM 1163 CZ2 TRP A 68 -10.722 4.538 6.262 1.00 64.21 C ATOM 1164 CZ3 TRP A 68 -10.925 3.376 8.359 1.00 41.32 C ATOM 1165 CH2 TRP A 68 -10.962 4.549 7.597 1.00 3.21 C ATOM 0 H TRP A 68 -9.656 -2.827 5.834 1.00 14.42 H new ATOM 0 HA TRP A 68 -11.873 -1.155 6.196 1.00 22.25 H new ATOM 0 HB2 TRP A 68 -9.614 -0.515 6.811 1.00 73.21 H new ATOM 0 HB3 TRP A 68 -9.028 -0.756 5.177 1.00 73.21 H new ATOM 0 HD1 TRP A 68 -9.674 1.179 3.338 1.00 22.41 H new ATOM 0 HE1 TRP A 68 -10.123 3.698 3.607 1.00 3.31 H new ATOM 0 HE3 TRP A 68 -10.618 1.252 8.373 1.00 72.22 H new ATOM 0 HZ2 TRP A 68 -10.753 5.448 5.681 1.00 64.21 H new ATOM 0 HZ3 TRP A 68 -11.121 3.427 9.420 1.00 41.32 H new ATOM 0 HH2 TRP A 68 -11.187 5.486 8.084 1.00 3.21 H new ATOM 1176 N ASN A 69 -10.970 -1.446 3.072 1.00 32.55 N ATOM 1177 CA ASN A 69 -11.385 -1.205 1.710 1.00 62.33 C ATOM 1178 C ASN A 69 -12.705 -1.905 1.433 1.00 33.30 C ATOM 1179 O ASN A 69 -13.591 -1.336 0.808 1.00 52.23 O ATOM 1180 CB ASN A 69 -10.319 -1.683 0.729 1.00 64.54 C ATOM 1181 CG ASN A 69 -10.627 -1.313 -0.706 1.00 45.13 C ATOM 1182 OD1 ASN A 69 -11.235 -0.281 -0.986 1.00 44.31 O ATOM 1183 ND2 ASN A 69 -10.230 -2.148 -1.619 1.00 44.24 N ATOM 0 H ASN A 69 -10.085 -1.946 3.156 1.00 32.55 H new ATOM 0 HA ASN A 69 -11.519 -0.132 1.576 1.00 62.33 H new ATOM 0 HB2 ASN A 69 -9.357 -1.255 1.010 1.00 64.54 H new ATOM 0 HB3 ASN A 69 -10.221 -2.766 0.806 1.00 64.54 H new ATOM 0 HD21 ASN A 69 -10.420 -1.957 -2.603 1.00 44.24 H new ATOM 0 HD22 ASN A 69 -9.728 -2.995 -1.352 1.00 44.24 H new ATOM 1190 N GLU A 70 -12.850 -3.125 1.944 1.00 72.54 N ATOM 1191 CA GLU A 70 -14.084 -3.870 1.762 1.00 64.50 C ATOM 1192 C GLU A 70 -15.257 -3.175 2.439 1.00 15.11 C ATOM 1193 O GLU A 70 -16.373 -3.268 1.967 1.00 53.10 O ATOM 1194 CB GLU A 70 -13.962 -5.320 2.227 1.00 73.34 C ATOM 1195 CG GLU A 70 -12.897 -6.119 1.490 1.00 71.44 C ATOM 1196 CD GLU A 70 -13.102 -6.178 -0.010 1.00 61.40 C ATOM 1197 OE1 GLU A 70 -12.621 -5.270 -0.732 1.00 25.32 O ATOM 1198 OE2 GLU A 70 -13.714 -7.164 -0.496 1.00 64.21 O ATOM 0 H GLU A 70 -12.133 -3.612 2.482 1.00 72.54 H new ATOM 0 HA GLU A 70 -14.279 -3.895 0.690 1.00 64.50 H new ATOM 0 HB2 GLU A 70 -13.737 -5.331 3.293 1.00 73.34 H new ATOM 0 HB3 GLU A 70 -14.925 -5.814 2.100 1.00 73.34 H new ATOM 0 HG2 GLU A 70 -11.920 -5.681 1.696 1.00 71.44 H new ATOM 0 HG3 GLU A 70 -12.881 -7.135 1.885 1.00 71.44 H new ATOM 1205 N LYS A 71 -15.011 -2.463 3.541 1.00 12.13 N ATOM 1206 CA LYS A 71 -16.089 -1.681 4.145 1.00 62.13 C ATOM 1207 C LYS A 71 -16.470 -0.495 3.270 1.00 54.31 C ATOM 1208 O LYS A 71 -17.651 -0.199 3.094 1.00 55.42 O ATOM 1209 CB LYS A 71 -15.801 -1.240 5.589 1.00 64.51 C ATOM 1210 CG LYS A 71 -16.097 -2.287 6.657 1.00 41.31 C ATOM 1211 CD LYS A 71 -15.189 -3.490 6.594 1.00 3.43 C ATOM 1212 CE LYS A 71 -15.617 -4.552 7.590 1.00 21.24 C ATOM 1213 NZ LYS A 71 -15.734 -4.013 8.969 1.00 30.00 N ATOM 0 H LYS A 71 -14.111 -2.411 4.018 1.00 12.13 H new ATOM 0 HA LYS A 71 -16.944 -2.354 4.206 1.00 62.13 H new ATOM 0 HB2 LYS A 71 -14.751 -0.955 5.663 1.00 64.51 H new ATOM 0 HB3 LYS A 71 -16.389 -0.348 5.804 1.00 64.51 H new ATOM 0 HG2 LYS A 71 -16.007 -1.826 7.640 1.00 41.31 H new ATOM 0 HG3 LYS A 71 -17.131 -2.617 6.553 1.00 41.31 H new ATOM 0 HD2 LYS A 71 -15.201 -3.906 5.587 1.00 3.43 H new ATOM 0 HD3 LYS A 71 -14.163 -3.186 6.801 1.00 3.43 H new ATOM 0 HE2 LYS A 71 -16.575 -4.971 7.283 1.00 21.24 H new ATOM 0 HE3 LYS A 71 -14.895 -5.368 7.581 1.00 21.24 H new ATOM 0 HZ1 LYS A 71 -15.827 -4.800 9.643 1.00 30.00 H new ATOM 0 HZ2 LYS A 71 -14.884 -3.459 9.199 1.00 30.00 H new ATOM 0 HZ3 LYS A 71 -16.573 -3.402 9.033 1.00 30.00 H new ATOM 1227 N ARG A 72 -15.473 0.157 2.705 1.00 50.22 N ATOM 1228 CA ARG A 72 -15.695 1.289 1.794 1.00 31.01 C ATOM 1229 C ARG A 72 -16.409 0.845 0.507 1.00 4.33 C ATOM 1230 O ARG A 72 -17.315 1.523 0.024 1.00 23.00 O ATOM 1231 CB ARG A 72 -14.372 2.013 1.441 1.00 42.42 C ATOM 1232 CG ARG A 72 -13.795 3.033 2.472 1.00 2.41 C ATOM 1233 CD ARG A 72 -13.562 2.489 3.886 1.00 22.14 C ATOM 1234 NE ARG A 72 -14.808 2.342 4.658 1.00 13.21 N ATOM 1235 CZ ARG A 72 -14.886 2.062 5.968 1.00 72.22 C ATOM 1236 NH1 ARG A 72 -13.786 1.838 6.682 1.00 2.52 N ATOM 1237 NH2 ARG A 72 -16.069 2.004 6.553 1.00 63.20 N ATOM 0 H ARG A 72 -14.490 -0.071 2.855 1.00 50.22 H new ATOM 0 HA ARG A 72 -16.338 1.992 2.323 1.00 31.01 H new ATOM 0 HB2 ARG A 72 -13.612 1.252 1.264 1.00 42.42 H new ATOM 0 HB3 ARG A 72 -14.521 2.540 0.498 1.00 42.42 H new ATOM 0 HG2 ARG A 72 -12.848 3.413 2.088 1.00 2.41 H new ATOM 0 HG3 ARG A 72 -14.477 3.881 2.537 1.00 2.41 H new ATOM 0 HD2 ARG A 72 -13.066 1.521 3.820 1.00 22.14 H new ATOM 0 HD3 ARG A 72 -12.887 3.158 4.420 1.00 22.14 H new ATOM 0 HE ARG A 72 -15.686 2.463 4.154 1.00 13.21 H new ATOM 0 HH11 ARG A 72 -12.870 1.878 6.234 1.00 2.52 H new ATOM 0 HH12 ARG A 72 -13.858 1.626 7.677 1.00 2.52 H new ATOM 0 HH21 ARG A 72 -16.916 2.172 6.009 1.00 63.20 H new ATOM 0 HH22 ARG A 72 -16.136 1.792 7.548 1.00 63.20 H new ATOM 1251 N ARG A 73 -15.999 -0.295 -0.025 1.00 73.14 N ATOM 1252 CA ARG A 73 -16.569 -0.845 -1.263 1.00 33.34 C ATOM 1253 C ARG A 73 -17.881 -1.573 -0.992 1.00 35.13 C ATOM 1254 O ARG A 73 -18.657 -1.835 -1.910 1.00 31.13 O ATOM 1255 CB ARG A 73 -15.591 -1.829 -1.887 1.00 2.02 C ATOM 1256 CG ARG A 73 -14.254 -1.253 -2.284 1.00 65.41 C ATOM 1257 CD ARG A 73 -13.341 -2.352 -2.792 1.00 21.40 C ATOM 1258 NE ARG A 73 -13.871 -3.006 -3.990 1.00 42.23 N ATOM 1259 CZ ARG A 73 -13.876 -4.328 -4.208 1.00 70.33 C ATOM 1260 NH1 ARG A 73 -13.455 -5.184 -3.277 1.00 21.13 N ATOM 1261 NH2 ARG A 73 -14.332 -4.790 -5.355 1.00 52.14 N ATOM 0 H ARG A 73 -15.263 -0.871 0.382 1.00 73.14 H new ATOM 0 HA ARG A 73 -16.758 -0.012 -1.940 1.00 33.34 H new ATOM 0 HB2 ARG A 73 -15.421 -2.643 -1.182 1.00 2.02 H new ATOM 0 HB3 ARG A 73 -16.056 -2.265 -2.771 1.00 2.02 H new ATOM 0 HG2 ARG A 73 -14.391 -0.497 -3.057 1.00 65.41 H new ATOM 0 HG3 ARG A 73 -13.796 -0.755 -1.429 1.00 65.41 H new ATOM 0 HD2 ARG A 73 -12.360 -1.932 -3.014 1.00 21.40 H new ATOM 0 HD3 ARG A 73 -13.200 -3.095 -2.007 1.00 21.40 H new ATOM 0 HE ARG A 73 -14.267 -2.408 -4.715 1.00 42.23 H new ATOM 0 HH11 ARG A 73 -13.121 -4.836 -2.378 1.00 21.13 H new ATOM 0 HH12 ARG A 73 -13.467 -6.187 -3.463 1.00 21.13 H new ATOM 0 HH21 ARG A 73 -14.676 -4.143 -6.065 1.00 52.14 H new ATOM 0 HH22 ARG A 73 -14.341 -5.794 -5.533 1.00 52.14 H new