USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 952 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 89 HIS : no HD1:sc= -2.58! C(o=-1.5!,f=-5.2!) USER MOD Set 1.2: A 110 THR OG1 : rot 68:sc= 1.1 USER MOD Set 2.1: A 86 SER OG : rot 100:sc= 1.27 USER MOD Set 2.2: A 108 ASN : amide:sc= -2.35! C(o=-1.1!,f=-7.7!) USER MOD Set 3.1: A 65 GLN : amide:sc= -2.08! C(o=-1.2!,f=-3.1!) USER MOD Set 3.2: A 68 THR OG1 : rot -60:sc= 0.905 USER MOD Set 4.1: A 37 THR OG1 : rot 176:sc= -0.295 USER MOD Set 4.2: A 124 THR OG1 : rot -160:sc= 0.254 USER MOD Set 5.1: A 26 MET CE :methyl 171:sc= -0.198 (180deg=-0.323) USER MOD Set 5.2: A 111 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 16 SER OG : rot 150:sc= 0.0455 USER MOD Set 6.2: A 84 THR OG1 : rot 170:sc= 0.599 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -129:sc= -0.443 USER MOD Single : A 30 THR OG1 : rot 149:sc= 0.81 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc=-0.00165 X(o=-0.0016,f=-0.45) USER MOD Single : A 46 SER OG : rot -41:sc= 1.21 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.28! C(o=-2.3!,f=-4.8!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.76! C(o=-1.8!,f=-6.6!) USER MOD Single : A 76 SER OG : rot -70:sc= 0.162 USER MOD Single : A 95 ASN : amide:sc= 0.00383 X(o=0.0038,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 113 ASN : amide:sc= 1.47 K(o=1.5,f=-8.4!) USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 120 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.93) USER MOD Single : A 122 MET CE :methyl 156:sc= -2.47! (180deg=-3.06!) USER MOD Single : A 123 GLN : amide:sc= 0.981 K(o=0.98,f=-0.048) USER MOD Single : A 129 GLN :FLIP amide:sc= 0 F(o=-2.1!,f=0) USER MOD Single : A 132 LYS NZ :NH3+ -119:sc= 0.239 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 7.769 16.571 5.255 1.00 72.33 N ATOM 215 CA SER A 16 7.279 17.905 5.122 1.00 33.33 C ATOM 216 C SER A 16 5.776 17.893 5.361 1.00 13.40 C ATOM 217 O SER A 16 5.070 17.035 4.840 1.00 25.14 O ATOM 218 CB SER A 16 7.625 18.427 3.722 1.00 45.03 C ATOM 219 OG SER A 16 7.246 19.788 3.536 1.00 63.10 O ATOM 0 HA SER A 16 7.741 18.569 5.853 1.00 33.33 H new ATOM 0 HB2 SER A 16 8.697 18.326 3.555 1.00 45.03 H new ATOM 0 HB3 SER A 16 7.127 17.809 2.975 1.00 45.03 H new ATOM 0 HG SER A 16 7.858 20.214 2.900 1.00 63.10 H new ATOM 225 N VAL A 17 5.302 18.810 6.178 1.00 33.51 N ATOM 226 CA VAL A 17 3.897 18.871 6.503 1.00 31.50 C ATOM 227 C VAL A 17 3.151 19.629 5.434 1.00 74.21 C ATOM 228 O VAL A 17 3.492 20.785 5.119 1.00 51.43 O ATOM 229 CB VAL A 17 3.639 19.529 7.885 1.00 31.04 C ATOM 230 CG1 VAL A 17 2.144 19.605 8.184 1.00 44.15 C ATOM 231 CG2 VAL A 17 4.352 18.757 8.979 1.00 34.42 C ATOM 0 H VAL A 17 5.873 19.525 6.629 1.00 33.51 H new ATOM 0 HA VAL A 17 3.534 17.844 6.554 1.00 31.50 H new ATOM 0 HB VAL A 17 4.034 20.545 7.854 1.00 31.04 H new ATOM 0 HG11 VAL A 17 1.991 20.070 9.158 1.00 44.15 H new ATOM 0 HG12 VAL A 17 1.649 20.200 7.416 1.00 44.15 H new ATOM 0 HG13 VAL A 17 1.723 18.600 8.192 1.00 44.15 H new ATOM 0 HG21 VAL A 17 4.161 19.231 9.942 1.00 34.42 H new ATOM 0 HG22 VAL A 17 3.984 17.731 9.000 1.00 34.42 H new ATOM 0 HG23 VAL A 17 5.424 18.753 8.782 1.00 34.42 H new ATOM 241 N PHE A 18 2.179 18.996 4.857 1.00 75.42 N ATOM 242 CA PHE A 18 1.374 19.626 3.858 1.00 71.32 C ATOM 243 C PHE A 18 -0.055 19.758 4.339 1.00 4.44 C ATOM 244 O PHE A 18 -0.588 18.872 5.016 1.00 62.35 O ATOM 245 CB PHE A 18 1.437 18.884 2.501 1.00 22.33 C ATOM 246 CG PHE A 18 0.893 17.477 2.515 1.00 73.25 C ATOM 247 CD1 PHE A 18 1.693 16.415 2.882 1.00 32.23 C ATOM 248 CD2 PHE A 18 -0.420 17.223 2.151 1.00 22.14 C ATOM 249 CE1 PHE A 18 1.200 15.132 2.890 1.00 14.33 C ATOM 250 CE2 PHE A 18 -0.918 15.938 2.158 1.00 0.34 C ATOM 251 CZ PHE A 18 -0.103 14.894 2.530 1.00 1.32 C ATOM 0 H PHE A 18 1.921 18.031 5.064 1.00 75.42 H new ATOM 0 HA PHE A 18 1.781 20.623 3.690 1.00 71.32 H new ATOM 0 HB2 PHE A 18 0.884 19.463 1.762 1.00 22.33 H new ATOM 0 HB3 PHE A 18 2.475 18.852 2.170 1.00 22.33 H new ATOM 0 HD1 PHE A 18 2.719 16.594 3.167 1.00 32.23 H new ATOM 0 HD2 PHE A 18 -1.061 18.042 1.858 1.00 22.14 H new ATOM 0 HE1 PHE A 18 1.838 14.310 3.180 1.00 14.33 H new ATOM 0 HE2 PHE A 18 -1.943 15.752 1.873 1.00 0.34 H new ATOM 0 HZ PHE A 18 -0.489 13.885 2.539 1.00 1.32 H new ATOM 261 N ARG A 19 -0.640 20.868 4.039 1.00 73.25 N ATOM 262 CA ARG A 19 -2.012 21.126 4.343 1.00 5.04 C ATOM 263 C ARG A 19 -2.881 20.639 3.211 1.00 33.11 C ATOM 264 O ARG A 19 -2.761 21.093 2.081 1.00 44.24 O ATOM 265 CB ARG A 19 -2.201 22.623 4.629 1.00 71.14 C ATOM 266 CG ARG A 19 -3.634 23.178 4.565 1.00 14.42 C ATOM 267 CD ARG A 19 -4.644 22.379 5.369 1.00 72.42 C ATOM 268 NE ARG A 19 -4.289 22.198 6.773 1.00 13.32 N ATOM 269 CZ ARG A 19 -4.944 21.362 7.589 1.00 64.34 C ATOM 270 NH1 ARG A 19 -5.989 20.672 7.124 1.00 32.00 N ATOM 271 NH2 ARG A 19 -4.568 21.220 8.853 1.00 74.34 N ATOM 0 H ARG A 19 -0.170 21.640 3.565 1.00 73.25 H new ATOM 0 HA ARG A 19 -2.313 20.583 5.239 1.00 5.04 H new ATOM 0 HB2 ARG A 19 -1.803 22.829 5.623 1.00 71.14 H new ATOM 0 HB3 ARG A 19 -1.591 23.182 3.919 1.00 71.14 H new ATOM 0 HG2 ARG A 19 -3.630 24.207 4.926 1.00 14.42 H new ATOM 0 HG3 ARG A 19 -3.955 23.206 3.524 1.00 14.42 H new ATOM 0 HD2 ARG A 19 -5.611 22.878 5.313 1.00 72.42 H new ATOM 0 HD3 ARG A 19 -4.764 21.399 4.908 1.00 72.42 H new ATOM 0 HE ARG A 19 -3.506 22.733 7.150 1.00 13.32 H new ATOM 0 HH11 ARG A 19 -6.283 20.784 6.154 1.00 32.00 H new ATOM 0 HH12 ARG A 19 -6.493 20.033 7.739 1.00 32.00 H new ATOM 0 HH21 ARG A 19 -3.774 21.750 9.211 1.00 74.34 H new ATOM 0 HH22 ARG A 19 -5.073 20.581 9.467 1.00 74.34 H new ATOM 285 N ALA A 20 -3.729 19.703 3.518 1.00 23.23 N ATOM 286 CA ALA A 20 -4.625 19.160 2.552 1.00 52.44 C ATOM 287 C ALA A 20 -6.047 19.183 3.081 1.00 35.01 C ATOM 288 O ALA A 20 -6.277 19.425 4.271 1.00 50.21 O ATOM 289 CB ALA A 20 -4.208 17.748 2.157 1.00 35.04 C ATOM 0 H ALA A 20 -3.816 19.296 4.449 1.00 23.23 H new ATOM 0 HA ALA A 20 -4.584 19.779 1.656 1.00 52.44 H new ATOM 0 HB1 ALA A 20 -4.907 17.355 1.419 1.00 35.04 H new ATOM 0 HB2 ALA A 20 -3.205 17.771 1.731 1.00 35.04 H new ATOM 0 HB3 ALA A 20 -4.213 17.107 3.039 1.00 35.04 H new ATOM 295 N ASP A 21 -6.962 18.902 2.196 1.00 71.51 N ATOM 296 CA ASP A 21 -8.413 18.901 2.425 1.00 70.34 C ATOM 297 C ASP A 21 -8.914 17.551 2.954 1.00 33.51 C ATOM 298 O ASP A 21 -10.120 17.335 3.093 1.00 40.15 O ATOM 299 CB ASP A 21 -9.119 19.236 1.109 1.00 62.55 C ATOM 300 CG ASP A 21 -8.773 18.261 -0.004 1.00 64.13 C ATOM 301 OD1 ASP A 21 -7.619 18.281 -0.505 1.00 11.23 O ATOM 302 OD2 ASP A 21 -9.636 17.474 -0.423 1.00 51.32 O ATOM 0 H ASP A 21 -6.721 18.651 1.237 1.00 71.51 H new ATOM 0 HA ASP A 21 -8.639 19.649 3.185 1.00 70.34 H new ATOM 0 HB2 ASP A 21 -10.197 19.232 1.268 1.00 62.55 H new ATOM 0 HB3 ASP A 21 -8.846 20.245 0.801 1.00 62.55 H new ATOM 307 N LEU A 22 -7.977 16.669 3.282 1.00 54.22 N ATOM 308 CA LEU A 22 -8.247 15.279 3.731 1.00 41.01 C ATOM 309 C LEU A 22 -9.077 15.192 5.039 1.00 53.12 C ATOM 310 O LEU A 22 -9.458 14.104 5.476 1.00 43.44 O ATOM 311 CB LEU A 22 -6.907 14.498 3.862 1.00 75.11 C ATOM 312 CG LEU A 22 -5.931 14.792 5.064 1.00 32.15 C ATOM 313 CD1 LEU A 22 -5.756 16.265 5.408 1.00 23.21 C ATOM 314 CD2 LEU A 22 -6.242 13.949 6.292 1.00 34.15 C ATOM 0 H LEU A 22 -6.982 16.890 3.248 1.00 54.22 H new ATOM 0 HA LEU A 22 -8.869 14.816 2.965 1.00 41.01 H new ATOM 0 HB2 LEU A 22 -7.154 13.437 3.899 1.00 75.11 H new ATOM 0 HB3 LEU A 22 -6.346 14.663 2.942 1.00 75.11 H new ATOM 0 HG LEU A 22 -4.955 14.480 4.692 1.00 32.15 H new ATOM 0 HD11 LEU A 22 -5.067 16.363 6.247 1.00 23.21 H new ATOM 0 HD12 LEU A 22 -5.354 16.795 4.544 1.00 23.21 H new ATOM 0 HD13 LEU A 22 -6.721 16.692 5.679 1.00 23.21 H new ATOM 0 HD21 LEU A 22 -5.539 14.193 7.088 1.00 34.15 H new ATOM 0 HD22 LEU A 22 -7.258 14.157 6.628 1.00 34.15 H new ATOM 0 HD23 LEU A 22 -6.152 12.892 6.040 1.00 34.15 H new ATOM 326 N LEU A 23 -9.355 16.333 5.640 1.00 55.15 N ATOM 327 CA LEU A 23 -10.126 16.420 6.866 1.00 64.04 C ATOM 328 C LEU A 23 -11.512 15.816 6.636 1.00 3.13 C ATOM 329 O LEU A 23 -12.035 15.084 7.476 1.00 21.52 O ATOM 330 CB LEU A 23 -10.215 17.906 7.288 1.00 53.25 C ATOM 331 CG LEU A 23 -10.820 18.271 8.672 1.00 33.21 C ATOM 332 CD1 LEU A 23 -12.326 18.045 8.759 1.00 14.12 C ATOM 333 CD2 LEU A 23 -10.098 17.542 9.792 1.00 41.34 C ATOM 0 H LEU A 23 -9.047 17.239 5.286 1.00 55.15 H new ATOM 0 HA LEU A 23 -9.646 15.859 7.668 1.00 64.04 H new ATOM 0 HB2 LEU A 23 -9.206 18.317 7.253 1.00 53.25 H new ATOM 0 HB3 LEU A 23 -10.798 18.427 6.529 1.00 53.25 H new ATOM 0 HG LEU A 23 -10.668 19.344 8.792 1.00 33.21 H new ATOM 0 HD11 LEU A 23 -12.679 18.321 9.753 1.00 14.12 H new ATOM 0 HD12 LEU A 23 -12.830 18.658 8.012 1.00 14.12 H new ATOM 0 HD13 LEU A 23 -12.547 16.994 8.574 1.00 14.12 H new ATOM 0 HD21 LEU A 23 -10.541 17.816 10.749 1.00 41.34 H new ATOM 0 HD22 LEU A 23 -10.189 16.466 9.644 1.00 41.34 H new ATOM 0 HD23 LEU A 23 -9.044 17.821 9.787 1.00 41.34 H new ATOM 345 N LYS A 24 -12.072 16.094 5.480 1.00 1.54 N ATOM 346 CA LYS A 24 -13.393 15.594 5.128 1.00 55.20 C ATOM 347 C LYS A 24 -13.398 14.066 5.013 1.00 73.21 C ATOM 348 O LYS A 24 -14.409 13.420 5.276 1.00 21.12 O ATOM 349 CB LYS A 24 -13.884 16.235 3.837 1.00 62.33 C ATOM 350 CG LYS A 24 -13.897 17.750 3.889 1.00 25.14 C ATOM 351 CD LYS A 24 -14.492 18.342 2.636 1.00 51.23 C ATOM 352 CE LYS A 24 -14.414 19.851 2.658 1.00 23.12 C ATOM 353 NZ LYS A 24 -15.116 20.457 1.506 1.00 73.43 N ATOM 0 H LYS A 24 -11.634 16.667 4.759 1.00 1.54 H new ATOM 0 HA LYS A 24 -14.078 15.868 5.930 1.00 55.20 H new ATOM 0 HB2 LYS A 24 -13.247 15.912 3.014 1.00 62.33 H new ATOM 0 HB3 LYS A 24 -14.891 15.877 3.621 1.00 62.33 H new ATOM 0 HG2 LYS A 24 -14.469 18.080 4.756 1.00 25.14 H new ATOM 0 HG3 LYS A 24 -12.880 18.119 4.019 1.00 25.14 H new ATOM 0 HD2 LYS A 24 -13.963 17.960 1.763 1.00 51.23 H new ATOM 0 HD3 LYS A 24 -15.532 18.030 2.541 1.00 51.23 H new ATOM 0 HE2 LYS A 24 -14.850 20.223 3.585 1.00 23.12 H new ATOM 0 HE3 LYS A 24 -13.369 20.161 2.650 1.00 23.12 H new ATOM 0 HZ1 LYS A 24 -15.039 21.493 1.558 1.00 73.43 H new ATOM 0 HZ2 LYS A 24 -14.684 20.122 0.621 1.00 73.43 H new ATOM 0 HZ3 LYS A 24 -16.119 20.183 1.527 1.00 73.43 H new ATOM 367 N GLU A 25 -12.253 13.497 4.676 1.00 53.33 N ATOM 368 CA GLU A 25 -12.119 12.057 4.549 1.00 20.35 C ATOM 369 C GLU A 25 -12.221 11.380 5.907 1.00 1.02 C ATOM 370 O GLU A 25 -13.003 10.447 6.087 1.00 21.43 O ATOM 371 CB GLU A 25 -10.794 11.685 3.906 1.00 24.11 C ATOM 372 CG GLU A 25 -10.645 12.103 2.461 1.00 72.02 C ATOM 373 CD GLU A 25 -11.665 11.448 1.572 1.00 24.35 C ATOM 374 OE1 GLU A 25 -11.730 10.203 1.535 1.00 21.44 O ATOM 375 OE2 GLU A 25 -12.406 12.159 0.870 1.00 0.22 O ATOM 0 H GLU A 25 -11.396 14.016 4.484 1.00 53.33 H new ATOM 0 HA GLU A 25 -12.934 11.712 3.912 1.00 20.35 H new ATOM 0 HB2 GLU A 25 -9.988 12.136 4.484 1.00 24.11 H new ATOM 0 HB3 GLU A 25 -10.667 10.604 3.971 1.00 24.11 H new ATOM 0 HG2 GLU A 25 -10.742 13.186 2.386 1.00 72.02 H new ATOM 0 HG3 GLU A 25 -9.644 11.848 2.112 1.00 72.02 H new ATOM 382 N MET A 26 -11.476 11.886 6.880 1.00 73.23 N ATOM 383 CA MET A 26 -11.455 11.278 8.217 1.00 2.33 C ATOM 384 C MET A 26 -12.797 11.470 8.928 1.00 70.34 C ATOM 385 O MET A 26 -13.106 10.765 9.892 1.00 62.14 O ATOM 386 CB MET A 26 -10.318 11.845 9.103 1.00 73.11 C ATOM 387 CG MET A 26 -10.515 13.299 9.534 1.00 52.43 C ATOM 388 SD MET A 26 -9.249 13.902 10.679 1.00 72.22 S ATOM 389 CE MET A 26 -7.774 13.781 9.676 1.00 24.53 C ATOM 0 H MET A 26 -10.881 12.708 6.778 1.00 73.23 H new ATOM 0 HA MET A 26 -11.271 10.214 8.069 1.00 2.33 H new ATOM 0 HB2 MET A 26 -10.225 11.224 9.994 1.00 73.11 H new ATOM 0 HB3 MET A 26 -9.377 11.765 8.559 1.00 73.11 H new ATOM 0 HG2 MET A 26 -10.521 13.933 8.647 1.00 52.43 H new ATOM 0 HG3 MET A 26 -11.493 13.399 10.004 1.00 52.43 H new ATOM 0 HE1 MET A 26 -6.944 14.265 10.190 1.00 24.53 H new ATOM 0 HE2 MET A 26 -7.534 12.731 9.507 1.00 24.53 H new ATOM 0 HE3 MET A 26 -7.944 14.273 8.718 1.00 24.53 H new ATOM 399 N GLU A 27 -13.583 12.406 8.448 1.00 51.14 N ATOM 400 CA GLU A 27 -14.837 12.716 9.071 1.00 44.42 C ATOM 401 C GLU A 27 -16.022 12.063 8.341 1.00 61.11 C ATOM 402 O GLU A 27 -16.828 11.377 8.961 1.00 2.34 O ATOM 403 CB GLU A 27 -15.002 14.234 9.142 1.00 3.41 C ATOM 404 CG GLU A 27 -16.254 14.705 9.850 1.00 51.15 C ATOM 405 CD GLU A 27 -16.301 16.200 9.976 1.00 31.10 C ATOM 406 OE1 GLU A 27 -15.724 16.738 10.925 1.00 13.34 O ATOM 407 OE2 GLU A 27 -16.915 16.872 9.114 1.00 52.35 O ATOM 0 H GLU A 27 -13.369 12.966 7.623 1.00 51.14 H new ATOM 0 HA GLU A 27 -14.832 12.304 10.080 1.00 44.42 H new ATOM 0 HB2 GLU A 27 -14.134 14.656 9.649 1.00 3.41 H new ATOM 0 HB3 GLU A 27 -15.004 14.633 8.128 1.00 3.41 H new ATOM 0 HG2 GLU A 27 -17.131 14.360 9.303 1.00 51.15 H new ATOM 0 HG3 GLU A 27 -16.300 14.256 10.842 1.00 51.15 H new ATOM 414 N SER A 28 -16.098 12.227 7.038 1.00 74.43 N ATOM 415 CA SER A 28 -17.259 11.782 6.296 1.00 40.50 C ATOM 416 C SER A 28 -17.063 10.465 5.535 1.00 31.13 C ATOM 417 O SER A 28 -18.036 9.723 5.321 1.00 4.01 O ATOM 418 CB SER A 28 -17.744 12.913 5.401 1.00 31.44 C ATOM 419 OG SER A 28 -18.014 14.066 6.200 1.00 34.14 O ATOM 0 H SER A 28 -15.372 12.664 6.471 1.00 74.43 H new ATOM 0 HA SER A 28 -18.035 11.538 7.022 1.00 40.50 H new ATOM 0 HB2 SER A 28 -16.990 13.146 4.649 1.00 31.44 H new ATOM 0 HB3 SER A 28 -18.644 12.608 4.866 1.00 31.44 H new ATOM 0 HG SER A 28 -18.325 14.797 5.626 1.00 34.14 H new ATOM 425 N SER A 29 -15.837 10.150 5.141 1.00 24.10 N ATOM 426 CA SER A 29 -15.580 8.878 4.469 1.00 63.04 C ATOM 427 C SER A 29 -15.587 7.769 5.522 1.00 0.41 C ATOM 428 O SER A 29 -15.761 6.576 5.225 1.00 55.25 O ATOM 429 CB SER A 29 -14.249 8.928 3.724 1.00 34.54 C ATOM 430 OG SER A 29 -14.199 10.057 2.855 1.00 42.43 O ATOM 0 H SER A 29 -15.017 10.743 5.270 1.00 24.10 H new ATOM 0 HA SER A 29 -16.355 8.679 3.729 1.00 63.04 H new ATOM 0 HB2 SER A 29 -13.428 8.977 4.439 1.00 34.54 H new ATOM 0 HB3 SER A 29 -14.115 8.013 3.147 1.00 34.54 H new ATOM 0 HG SER A 29 -13.933 9.767 1.957 1.00 42.43 H new ATOM 436 N THR A 30 -15.363 8.179 6.753 1.00 50.04 N ATOM 437 CA THR A 30 -15.476 7.316 7.874 1.00 34.43 C ATOM 438 C THR A 30 -16.949 6.998 8.090 1.00 51.45 C ATOM 439 O THR A 30 -17.795 7.895 8.258 1.00 2.33 O ATOM 440 CB THR A 30 -14.857 7.965 9.113 1.00 62.43 C ATOM 441 OG1 THR A 30 -13.515 8.337 8.782 1.00 52.30 O ATOM 442 CG2 THR A 30 -14.818 6.989 10.280 1.00 41.10 C ATOM 0 H THR A 30 -15.095 9.134 6.989 1.00 50.04 H new ATOM 0 HA THR A 30 -14.932 6.389 7.692 1.00 34.43 H new ATOM 0 HB THR A 30 -15.455 8.828 9.407 1.00 62.43 H new ATOM 0 HG1 THR A 30 -13.262 9.136 9.290 1.00 52.30 H new ATOM 0 HG21 THR A 30 -14.373 7.477 11.147 1.00 41.10 H new ATOM 0 HG22 THR A 30 -15.832 6.671 10.523 1.00 41.10 H new ATOM 0 HG23 THR A 30 -14.221 6.119 10.007 1.00 41.10 H new ATOM 450 N GLY A 31 -17.236 5.744 8.004 1.00 34.12 N ATOM 451 CA GLY A 31 -18.561 5.241 8.090 1.00 35.42 C ATOM 452 C GLY A 31 -18.561 3.910 7.433 1.00 2.31 C ATOM 453 O GLY A 31 -19.211 2.976 7.875 1.00 55.01 O ATOM 0 H GLY A 31 -16.531 5.019 7.868 1.00 34.12 H new ATOM 0 HA2 GLY A 31 -18.876 5.158 9.130 1.00 35.42 H new ATOM 0 HA3 GLY A 31 -19.262 5.915 7.598 1.00 35.42 H new ATOM 457 N THR A 32 -17.792 3.829 6.371 1.00 34.43 N ATOM 458 CA THR A 32 -17.561 2.599 5.681 1.00 13.31 C ATOM 459 C THR A 32 -16.538 1.777 6.482 1.00 0.23 C ATOM 460 O THR A 32 -15.413 2.260 6.767 1.00 40.45 O ATOM 461 CB THR A 32 -17.002 2.898 4.280 1.00 24.11 C ATOM 462 OG1 THR A 32 -17.824 3.901 3.663 1.00 44.20 O ATOM 463 CG2 THR A 32 -17.014 1.646 3.415 1.00 13.13 C ATOM 0 H THR A 32 -17.308 4.630 5.964 1.00 34.43 H new ATOM 0 HA THR A 32 -18.492 2.040 5.581 1.00 13.31 H new ATOM 0 HB THR A 32 -15.973 3.245 4.375 1.00 24.11 H new ATOM 0 HG1 THR A 32 -17.478 4.103 2.769 1.00 44.20 H new ATOM 0 HG21 THR A 32 -16.614 1.881 2.429 1.00 13.13 H new ATOM 0 HG22 THR A 32 -16.400 0.876 3.881 1.00 13.13 H new ATOM 0 HG23 THR A 32 -18.037 1.283 3.315 1.00 13.13 H new ATOM 471 N ALA A 33 -16.924 0.587 6.868 1.00 3.13 N ATOM 472 CA ALA A 33 -16.075 -0.285 7.645 1.00 44.11 C ATOM 473 C ALA A 33 -15.145 -1.069 6.719 1.00 52.52 C ATOM 474 O ALA A 33 -15.452 -1.222 5.523 1.00 55.20 O ATOM 475 CB ALA A 33 -16.941 -1.231 8.473 1.00 72.25 C ATOM 0 H ALA A 33 -17.840 0.193 6.652 1.00 3.13 H new ATOM 0 HA ALA A 33 -15.460 0.309 8.321 1.00 44.11 H new ATOM 0 HB1 ALA A 33 -16.301 -1.890 9.060 1.00 72.25 H new ATOM 0 HB2 ALA A 33 -17.576 -0.651 9.142 1.00 72.25 H new ATOM 0 HB3 ALA A 33 -17.565 -1.829 7.808 1.00 72.25 H new ATOM 481 N PRO A 34 -13.977 -1.535 7.227 1.00 41.44 N ATOM 482 CA PRO A 34 -13.032 -2.351 6.445 1.00 63.31 C ATOM 483 C PRO A 34 -13.692 -3.633 5.917 1.00 72.23 C ATOM 484 O PRO A 34 -14.712 -4.094 6.463 1.00 42.04 O ATOM 485 CB PRO A 34 -11.924 -2.705 7.452 1.00 34.43 C ATOM 486 CG PRO A 34 -12.515 -2.424 8.792 1.00 4.23 C ATOM 487 CD PRO A 34 -13.469 -1.291 8.590 1.00 53.31 C ATOM 0 HA PRO A 34 -12.666 -1.818 5.567 1.00 63.31 H new ATOM 0 HB2 PRO A 34 -11.629 -3.750 7.362 1.00 34.43 H new ATOM 0 HB3 PRO A 34 -11.030 -2.105 7.282 1.00 34.43 H new ATOM 0 HG2 PRO A 34 -13.029 -3.302 9.184 1.00 4.23 H new ATOM 0 HG3 PRO A 34 -11.741 -2.159 9.512 1.00 4.23 H new ATOM 0 HD2 PRO A 34 -14.271 -1.300 9.329 1.00 53.31 H new ATOM 0 HD3 PRO A 34 -12.972 -0.324 8.670 1.00 53.31 H new ATOM 495 N ALA A 35 -13.126 -4.200 4.885 1.00 4.21 N ATOM 496 CA ALA A 35 -13.678 -5.393 4.283 1.00 74.42 C ATOM 497 C ALA A 35 -13.252 -6.613 5.076 1.00 31.41 C ATOM 498 O ALA A 35 -12.257 -6.571 5.802 1.00 31.12 O ATOM 499 CB ALA A 35 -13.238 -5.514 2.829 1.00 73.23 C ATOM 0 H ALA A 35 -12.277 -3.855 4.438 1.00 4.21 H new ATOM 0 HA ALA A 35 -14.766 -5.326 4.300 1.00 74.42 H new ATOM 0 HB1 ALA A 35 -13.664 -6.418 2.394 1.00 73.23 H new ATOM 0 HB2 ALA A 35 -13.585 -4.645 2.270 1.00 73.23 H new ATOM 0 HB3 ALA A 35 -12.150 -5.566 2.781 1.00 73.23 H new ATOM 505 N SER A 36 -14.000 -7.667 4.967 1.00 1.03 N ATOM 506 CA SER A 36 -13.688 -8.874 5.657 1.00 32.12 C ATOM 507 C SER A 36 -13.443 -9.969 4.637 1.00 4.43 C ATOM 508 O SER A 36 -14.181 -10.090 3.646 1.00 20.33 O ATOM 509 CB SER A 36 -14.827 -9.250 6.621 1.00 13.53 C ATOM 510 OG SER A 36 -14.514 -10.409 7.400 1.00 74.23 O ATOM 0 H SER A 36 -14.844 -7.712 4.396 1.00 1.03 H new ATOM 0 HA SER A 36 -12.787 -8.739 6.256 1.00 32.12 H new ATOM 0 HB2 SER A 36 -15.030 -8.411 7.286 1.00 13.53 H new ATOM 0 HB3 SER A 36 -15.738 -9.432 6.051 1.00 13.53 H new ATOM 0 HG SER A 36 -15.262 -10.612 7.999 1.00 74.23 H new ATOM 516 N THR A 37 -12.398 -10.709 4.848 1.00 41.34 N ATOM 517 CA THR A 37 -12.006 -11.800 4.016 1.00 1.41 C ATOM 518 C THR A 37 -11.418 -12.876 4.909 1.00 55.44 C ATOM 519 O THR A 37 -11.051 -12.597 6.043 1.00 55.20 O ATOM 520 CB THR A 37 -10.949 -11.364 2.950 1.00 75.31 C ATOM 521 OG1 THR A 37 -9.923 -10.563 3.561 1.00 33.21 O ATOM 522 CG2 THR A 37 -11.579 -10.599 1.790 1.00 50.23 C ATOM 0 H THR A 37 -11.770 -10.561 5.638 1.00 41.34 H new ATOM 0 HA THR A 37 -12.877 -12.169 3.475 1.00 1.41 H new ATOM 0 HB THR A 37 -10.510 -12.276 2.545 1.00 75.31 H new ATOM 0 HG1 THR A 37 -9.236 -10.349 2.896 1.00 33.21 H new ATOM 0 HG21 THR A 37 -10.805 -10.318 1.076 1.00 50.23 H new ATOM 0 HG22 THR A 37 -12.316 -11.231 1.295 1.00 50.23 H new ATOM 0 HG23 THR A 37 -12.067 -9.701 2.169 1.00 50.23 H new ATOM 530 N GLY A 38 -11.321 -14.080 4.414 1.00 44.42 N ATOM 531 CA GLY A 38 -10.739 -15.150 5.192 1.00 33.45 C ATOM 532 C GLY A 38 -9.310 -15.381 4.780 1.00 1.00 C ATOM 533 O GLY A 38 -8.715 -16.424 5.046 1.00 45.42 O ATOM 0 H GLY A 38 -11.634 -14.348 3.481 1.00 44.42 H new ATOM 0 HA2 GLY A 38 -10.783 -14.902 6.253 1.00 33.45 H new ATOM 0 HA3 GLY A 38 -11.316 -16.064 5.054 1.00 33.45 H new ATOM 537 N ALA A 39 -8.763 -14.400 4.123 1.00 65.21 N ATOM 538 CA ALA A 39 -7.419 -14.441 3.613 1.00 34.34 C ATOM 539 C ALA A 39 -6.431 -13.884 4.624 1.00 33.14 C ATOM 540 O ALA A 39 -5.265 -13.682 4.314 1.00 31.41 O ATOM 541 CB ALA A 39 -7.344 -13.672 2.318 1.00 74.34 C ATOM 0 H ALA A 39 -9.249 -13.527 3.921 1.00 65.21 H new ATOM 0 HA ALA A 39 -7.150 -15.481 3.428 1.00 34.34 H new ATOM 0 HB1 ALA A 39 -6.324 -13.705 1.934 1.00 74.34 H new ATOM 0 HB2 ALA A 39 -8.021 -14.119 1.590 1.00 74.34 H new ATOM 0 HB3 ALA A 39 -7.633 -12.636 2.493 1.00 74.34 H new ATOM 547 N GLU A 40 -6.898 -13.681 5.849 1.00 71.42 N ATOM 548 CA GLU A 40 -6.119 -13.029 6.916 1.00 60.34 C ATOM 549 C GLU A 40 -5.017 -13.933 7.463 1.00 2.33 C ATOM 550 O GLU A 40 -4.326 -13.587 8.410 1.00 22.22 O ATOM 551 CB GLU A 40 -7.048 -12.604 8.034 1.00 25.55 C ATOM 552 CG GLU A 40 -8.262 -11.867 7.522 1.00 51.42 C ATOM 553 CD GLU A 40 -9.171 -11.392 8.613 1.00 52.24 C ATOM 554 OE1 GLU A 40 -9.499 -12.181 9.522 1.00 22.51 O ATOM 555 OE2 GLU A 40 -9.556 -10.225 8.609 1.00 63.14 O ATOM 0 H GLU A 40 -7.834 -13.963 6.141 1.00 71.42 H new ATOM 0 HA GLU A 40 -5.632 -12.155 6.484 1.00 60.34 H new ATOM 0 HB2 GLU A 40 -7.369 -13.484 8.591 1.00 25.55 H new ATOM 0 HB3 GLU A 40 -6.505 -11.965 8.731 1.00 25.55 H new ATOM 0 HG2 GLU A 40 -7.936 -11.011 6.932 1.00 51.42 H new ATOM 0 HG3 GLU A 40 -8.820 -12.522 6.853 1.00 51.42 H new ATOM 562 N ASN A 41 -4.877 -15.081 6.880 1.00 75.33 N ATOM 563 CA ASN A 41 -3.822 -16.004 7.250 1.00 62.54 C ATOM 564 C ASN A 41 -2.694 -15.858 6.252 1.00 43.12 C ATOM 565 O ASN A 41 -1.569 -16.235 6.519 1.00 72.44 O ATOM 566 CB ASN A 41 -4.341 -17.450 7.261 1.00 51.04 C ATOM 567 CG ASN A 41 -3.300 -18.470 7.724 1.00 34.13 C ATOM 568 OD1 ASN A 41 -2.426 -18.171 8.550 1.00 20.02 O ATOM 569 ND2 ASN A 41 -3.387 -19.670 7.204 1.00 52.35 N ATOM 0 H ASN A 41 -5.485 -15.416 6.133 1.00 75.33 H new ATOM 0 HA ASN A 41 -3.468 -15.774 8.255 1.00 62.54 H new ATOM 0 HB2 ASN A 41 -5.212 -17.510 7.914 1.00 51.04 H new ATOM 0 HB3 ASN A 41 -4.676 -17.715 6.258 1.00 51.04 H new ATOM 0 HD21 ASN A 41 -2.722 -20.394 7.477 1.00 52.35 H new ATOM 0 HD22 ASN A 41 -4.120 -19.880 6.526 1.00 52.35 H new ATOM 576 N LEU A 42 -3.022 -15.233 5.112 1.00 63.53 N ATOM 577 CA LEU A 42 -2.106 -15.031 4.003 1.00 73.41 C ATOM 578 C LEU A 42 -1.567 -16.365 3.484 1.00 50.23 C ATOM 579 O LEU A 42 -0.505 -16.811 3.892 1.00 23.24 O ATOM 580 CB LEU A 42 -0.959 -14.042 4.336 1.00 12.14 C ATOM 581 CG LEU A 42 -1.326 -12.550 4.553 1.00 20.34 C ATOM 582 CD1 LEU A 42 -2.154 -12.004 3.406 1.00 21.32 C ATOM 583 CD2 LEU A 42 -2.004 -12.304 5.895 1.00 42.33 C ATOM 0 H LEU A 42 -3.952 -14.850 4.941 1.00 63.53 H new ATOM 0 HA LEU A 42 -2.683 -14.564 3.204 1.00 73.41 H new ATOM 0 HB2 LEU A 42 -0.462 -14.398 5.238 1.00 12.14 H new ATOM 0 HB3 LEU A 42 -0.229 -14.093 3.528 1.00 12.14 H new ATOM 0 HG LEU A 42 -0.385 -12.001 4.572 1.00 20.34 H new ATOM 0 HD11 LEU A 42 -2.391 -10.957 3.595 1.00 21.32 H new ATOM 0 HD12 LEU A 42 -1.589 -12.087 2.478 1.00 21.32 H new ATOM 0 HD13 LEU A 42 -3.078 -12.575 3.320 1.00 21.32 H new ATOM 0 HD21 LEU A 42 -2.239 -11.244 5.995 1.00 42.33 H new ATOM 0 HD22 LEU A 42 -2.924 -12.887 5.950 1.00 42.33 H new ATOM 0 HD23 LEU A 42 -1.335 -12.605 6.701 1.00 42.33 H new ATOM 595 N PRO A 43 -2.312 -17.021 2.567 1.00 24.42 N ATOM 596 CA PRO A 43 -1.965 -18.365 2.064 1.00 73.20 C ATOM 597 C PRO A 43 -0.548 -18.444 1.481 1.00 20.32 C ATOM 598 O PRO A 43 0.269 -19.258 1.906 1.00 62.13 O ATOM 599 CB PRO A 43 -3.015 -18.617 0.970 1.00 1.43 C ATOM 600 CG PRO A 43 -3.573 -17.274 0.653 1.00 2.54 C ATOM 601 CD PRO A 43 -3.549 -16.519 1.935 1.00 34.44 C ATOM 0 HA PRO A 43 -1.971 -19.105 2.864 1.00 73.20 H new ATOM 0 HB2 PRO A 43 -2.565 -19.075 0.089 1.00 1.43 H new ATOM 0 HB3 PRO A 43 -3.794 -19.295 1.319 1.00 1.43 H new ATOM 0 HG2 PRO A 43 -2.977 -16.772 -0.109 1.00 2.54 H new ATOM 0 HG3 PRO A 43 -4.588 -17.353 0.263 1.00 2.54 H new ATOM 0 HD2 PRO A 43 -3.516 -15.442 1.773 1.00 34.44 H new ATOM 0 HD3 PRO A 43 -4.430 -16.722 2.544 1.00 34.44 H new ATOM 609 N ALA A 44 -0.255 -17.569 0.543 1.00 31.22 N ATOM 610 CA ALA A 44 1.054 -17.538 -0.098 1.00 32.41 C ATOM 611 C ALA A 44 2.043 -16.708 0.713 1.00 61.25 C ATOM 612 O ALA A 44 3.191 -16.545 0.323 1.00 50.11 O ATOM 613 CB ALA A 44 0.936 -16.986 -1.511 1.00 22.51 C ATOM 0 H ALA A 44 -0.907 -16.863 0.201 1.00 31.22 H new ATOM 0 HA ALA A 44 1.431 -18.560 -0.148 1.00 32.41 H new ATOM 0 HB1 ALA A 44 1.921 -16.968 -1.978 1.00 22.51 H new ATOM 0 HB2 ALA A 44 0.269 -17.620 -2.095 1.00 22.51 H new ATOM 0 HB3 ALA A 44 0.534 -15.974 -1.474 1.00 22.51 H new ATOM 619 N GLY A 45 1.582 -16.177 1.840 1.00 22.24 N ATOM 620 CA GLY A 45 2.416 -15.341 2.689 1.00 52.44 C ATOM 621 C GLY A 45 2.700 -13.976 2.081 1.00 21.35 C ATOM 622 O GLY A 45 3.544 -13.233 2.581 1.00 51.35 O ATOM 0 H GLY A 45 0.632 -16.312 2.186 1.00 22.24 H new ATOM 0 HA2 GLY A 45 1.926 -15.209 3.654 1.00 52.44 H new ATOM 0 HA3 GLY A 45 3.360 -15.852 2.879 1.00 52.44 H new ATOM 626 N SER A 46 1.999 -13.653 1.015 1.00 21.22 N ATOM 627 CA SER A 46 2.188 -12.405 0.328 1.00 43.20 C ATOM 628 C SER A 46 0.857 -11.660 0.250 1.00 71.14 C ATOM 629 O SER A 46 -0.219 -12.280 0.172 1.00 54.21 O ATOM 630 CB SER A 46 2.690 -12.678 -1.087 1.00 22.23 C ATOM 631 OG SER A 46 3.758 -13.621 -1.083 1.00 41.41 O ATOM 0 H SER A 46 1.283 -14.252 0.605 1.00 21.22 H new ATOM 0 HA SER A 46 2.916 -11.800 0.869 1.00 43.20 H new ATOM 0 HB2 SER A 46 1.871 -13.055 -1.700 1.00 22.23 H new ATOM 0 HB3 SER A 46 3.026 -11.746 -1.542 1.00 22.23 H new ATOM 0 HG SER A 46 4.356 -13.434 -0.330 1.00 41.41 H new ATOM 637 N ALA A 47 0.931 -10.363 0.246 1.00 71.44 N ATOM 638 CA ALA A 47 -0.229 -9.510 0.180 1.00 45.11 C ATOM 639 C ALA A 47 0.138 -8.299 -0.622 1.00 71.03 C ATOM 640 O ALA A 47 1.320 -7.994 -0.751 1.00 45.13 O ATOM 641 CB ALA A 47 -0.685 -9.116 1.568 1.00 52.34 C ATOM 0 H ALA A 47 1.814 -9.853 0.289 1.00 71.44 H new ATOM 0 HA ALA A 47 -1.057 -10.038 -0.293 1.00 45.11 H new ATOM 0 HB1 ALA A 47 -1.562 -8.472 1.494 1.00 52.34 H new ATOM 0 HB2 ALA A 47 -0.939 -10.011 2.135 1.00 52.34 H new ATOM 0 HB3 ALA A 47 0.117 -8.580 2.076 1.00 52.34 H new ATOM 647 N LEU A 48 -0.819 -7.632 -1.182 1.00 4.42 N ATOM 648 CA LEU A 48 -0.528 -6.499 -2.001 1.00 53.04 C ATOM 649 C LEU A 48 -1.465 -5.357 -1.709 1.00 41.30 C ATOM 650 O LEU A 48 -2.565 -5.553 -1.194 1.00 25.42 O ATOM 651 CB LEU A 48 -0.484 -6.886 -3.513 1.00 64.30 C ATOM 652 CG LEU A 48 -1.720 -7.569 -4.146 1.00 33.33 C ATOM 653 CD1 LEU A 48 -2.864 -6.596 -4.395 1.00 42.23 C ATOM 654 CD2 LEU A 48 -1.327 -8.279 -5.430 1.00 75.40 C ATOM 0 H LEU A 48 -1.810 -7.852 -1.087 1.00 4.42 H new ATOM 0 HA LEU A 48 0.472 -6.145 -1.749 1.00 53.04 H new ATOM 0 HB2 LEU A 48 -0.283 -5.977 -4.080 1.00 64.30 H new ATOM 0 HB3 LEU A 48 0.369 -7.548 -3.659 1.00 64.30 H new ATOM 0 HG LEU A 48 -2.086 -8.303 -3.428 1.00 33.33 H new ATOM 0 HD11 LEU A 48 -3.704 -7.129 -4.840 1.00 42.23 H new ATOM 0 HD12 LEU A 48 -3.176 -6.151 -3.450 1.00 42.23 H new ATOM 0 HD13 LEU A 48 -2.532 -5.810 -5.074 1.00 42.23 H new ATOM 0 HD21 LEU A 48 -2.205 -8.756 -5.866 1.00 75.40 H new ATOM 0 HD22 LEU A 48 -0.919 -7.555 -6.136 1.00 75.40 H new ATOM 0 HD23 LEU A 48 -0.574 -9.036 -5.211 1.00 75.40 H new ATOM 666 N LEU A 49 -1.026 -4.186 -1.990 1.00 44.33 N ATOM 667 CA LEU A 49 -1.832 -3.034 -1.812 1.00 61.53 C ATOM 668 C LEU A 49 -2.018 -2.332 -3.132 1.00 13.14 C ATOM 669 O LEU A 49 -1.076 -2.206 -3.919 1.00 24.33 O ATOM 670 CB LEU A 49 -1.302 -2.125 -0.663 1.00 44.23 C ATOM 671 CG LEU A 49 0.192 -1.721 -0.664 1.00 2.43 C ATOM 672 CD1 LEU A 49 0.508 -0.667 -1.706 1.00 72.51 C ATOM 673 CD2 LEU A 49 0.614 -1.251 0.714 1.00 65.53 C ATOM 0 H LEU A 49 -0.091 -3.997 -2.352 1.00 44.33 H new ATOM 0 HA LEU A 49 -2.825 -3.333 -1.478 1.00 61.53 H new ATOM 0 HB2 LEU A 49 -1.892 -1.209 -0.668 1.00 44.23 H new ATOM 0 HB3 LEU A 49 -1.507 -2.631 0.280 1.00 44.23 H new ATOM 0 HG LEU A 49 0.764 -2.610 -0.929 1.00 2.43 H new ATOM 0 HD11 LEU A 49 1.569 -0.420 -1.664 1.00 72.51 H new ATOM 0 HD12 LEU A 49 0.264 -1.050 -2.697 1.00 72.51 H new ATOM 0 HD13 LEU A 49 -0.081 0.228 -1.508 1.00 72.51 H new ATOM 0 HD21 LEU A 49 1.667 -0.971 0.696 1.00 65.53 H new ATOM 0 HD22 LEU A 49 0.014 -0.389 1.004 1.00 65.53 H new ATOM 0 HD23 LEU A 49 0.465 -2.055 1.434 1.00 65.53 H new ATOM 685 N VAL A 50 -3.219 -1.954 -3.407 1.00 63.31 N ATOM 686 CA VAL A 50 -3.537 -1.306 -4.645 1.00 1.31 C ATOM 687 C VAL A 50 -4.017 0.109 -4.385 1.00 3.21 C ATOM 688 O VAL A 50 -4.841 0.355 -3.489 1.00 13.40 O ATOM 689 CB VAL A 50 -4.576 -2.123 -5.485 1.00 11.13 C ATOM 690 CG1 VAL A 50 -5.860 -2.359 -4.711 1.00 61.40 C ATOM 691 CG2 VAL A 50 -4.867 -1.453 -6.827 1.00 33.54 C ATOM 0 H VAL A 50 -4.015 -2.083 -2.782 1.00 63.31 H new ATOM 0 HA VAL A 50 -2.627 -1.257 -5.244 1.00 1.31 H new ATOM 0 HB VAL A 50 -4.126 -3.095 -5.688 1.00 11.13 H new ATOM 0 HG11 VAL A 50 -6.556 -2.929 -5.326 1.00 61.40 H new ATOM 0 HG12 VAL A 50 -5.639 -2.917 -3.801 1.00 61.40 H new ATOM 0 HG13 VAL A 50 -6.308 -1.401 -4.449 1.00 61.40 H new ATOM 0 HG21 VAL A 50 -5.592 -2.049 -7.382 1.00 33.54 H new ATOM 0 HG22 VAL A 50 -5.272 -0.456 -6.656 1.00 33.54 H new ATOM 0 HG23 VAL A 50 -3.945 -1.376 -7.403 1.00 33.54 H new ATOM 701 N VAL A 51 -3.483 1.027 -5.125 1.00 71.42 N ATOM 702 CA VAL A 51 -3.829 2.410 -4.978 1.00 14.41 C ATOM 703 C VAL A 51 -5.104 2.669 -5.773 1.00 12.10 C ATOM 704 O VAL A 51 -5.131 2.491 -6.988 1.00 34.21 O ATOM 705 CB VAL A 51 -2.680 3.310 -5.494 1.00 20.51 C ATOM 706 CG1 VAL A 51 -2.939 4.774 -5.177 1.00 51.05 C ATOM 707 CG2 VAL A 51 -1.343 2.859 -4.916 1.00 62.22 C ATOM 0 H VAL A 51 -2.792 0.841 -5.852 1.00 71.42 H new ATOM 0 HA VAL A 51 -3.991 2.645 -3.926 1.00 14.41 H new ATOM 0 HB VAL A 51 -2.638 3.209 -6.578 1.00 20.51 H new ATOM 0 HG11 VAL A 51 -2.114 5.379 -5.553 1.00 51.05 H new ATOM 0 HG12 VAL A 51 -3.867 5.091 -5.653 1.00 51.05 H new ATOM 0 HG13 VAL A 51 -3.022 4.903 -4.098 1.00 51.05 H new ATOM 0 HG21 VAL A 51 -0.548 3.504 -5.291 1.00 62.22 H new ATOM 0 HG22 VAL A 51 -1.378 2.920 -3.828 1.00 62.22 H new ATOM 0 HG23 VAL A 51 -1.146 1.830 -5.215 1.00 62.22 H new ATOM 717 N LYS A 52 -6.140 3.073 -5.082 1.00 70.10 N ATOM 718 CA LYS A 52 -7.450 3.301 -5.684 1.00 52.35 C ATOM 719 C LYS A 52 -7.603 4.757 -6.077 1.00 15.43 C ATOM 720 O LYS A 52 -8.282 5.095 -7.049 1.00 52.41 O ATOM 721 CB LYS A 52 -8.557 2.943 -4.685 1.00 54.14 C ATOM 722 CG LYS A 52 -8.624 1.479 -4.275 1.00 1.12 C ATOM 723 CD LYS A 52 -9.072 0.579 -5.416 1.00 74.54 C ATOM 724 CE LYS A 52 -9.229 -0.867 -4.946 1.00 72.34 C ATOM 725 NZ LYS A 52 -9.760 -1.759 -6.002 1.00 62.03 N ATOM 0 H LYS A 52 -6.109 3.257 -4.079 1.00 70.10 H new ATOM 0 HA LYS A 52 -7.532 2.672 -6.570 1.00 52.35 H new ATOM 0 HB2 LYS A 52 -8.422 3.547 -3.788 1.00 54.14 H new ATOM 0 HB3 LYS A 52 -9.517 3.225 -5.117 1.00 54.14 H new ATOM 0 HG2 LYS A 52 -7.643 1.157 -3.925 1.00 1.12 H new ATOM 0 HG3 LYS A 52 -9.313 1.370 -3.437 1.00 1.12 H new ATOM 0 HD2 LYS A 52 -10.019 0.939 -5.817 1.00 74.54 H new ATOM 0 HD3 LYS A 52 -8.345 0.624 -6.227 1.00 74.54 H new ATOM 0 HE2 LYS A 52 -8.262 -1.243 -4.612 1.00 72.34 H new ATOM 0 HE3 LYS A 52 -9.896 -0.894 -4.085 1.00 72.34 H new ATOM 0 HZ1 LYS A 52 -9.846 -2.726 -5.629 1.00 62.03 H new ATOM 0 HZ2 LYS A 52 -10.696 -1.420 -6.305 1.00 62.03 H new ATOM 0 HZ3 LYS A 52 -9.112 -1.758 -6.815 1.00 62.03 H new ATOM 739 N ARG A 53 -6.975 5.600 -5.324 1.00 74.11 N ATOM 740 CA ARG A 53 -7.052 7.022 -5.518 1.00 40.44 C ATOM 741 C ARG A 53 -5.681 7.583 -5.345 1.00 24.52 C ATOM 742 O ARG A 53 -4.971 7.167 -4.440 1.00 63.44 O ATOM 743 CB ARG A 53 -8.016 7.644 -4.492 1.00 14.34 C ATOM 744 CG ARG A 53 -8.012 9.164 -4.430 1.00 54.03 C ATOM 745 CD ARG A 53 -8.912 9.667 -3.315 1.00 4.45 C ATOM 746 NE ARG A 53 -8.695 11.088 -3.049 1.00 22.12 N ATOM 747 CZ ARG A 53 -9.353 11.824 -2.140 1.00 72.45 C ATOM 748 NH1 ARG A 53 -10.417 11.322 -1.495 1.00 45.14 N ATOM 749 NH2 ARG A 53 -8.961 13.070 -1.909 1.00 71.52 N ATOM 0 H ARG A 53 -6.382 5.321 -4.542 1.00 74.11 H new ATOM 0 HA ARG A 53 -7.429 7.249 -6.515 1.00 40.44 H new ATOM 0 HB2 ARG A 53 -9.028 7.309 -4.720 1.00 14.34 H new ATOM 0 HB3 ARG A 53 -7.767 7.256 -3.504 1.00 14.34 H new ATOM 0 HG2 ARG A 53 -6.995 9.522 -4.270 1.00 54.03 H new ATOM 0 HG3 ARG A 53 -8.347 9.571 -5.384 1.00 54.03 H new ATOM 0 HD2 ARG A 53 -9.955 9.502 -3.586 1.00 4.45 H new ATOM 0 HD3 ARG A 53 -8.724 9.093 -2.408 1.00 4.45 H new ATOM 0 HE ARG A 53 -7.981 11.561 -3.603 1.00 22.12 H new ATOM 0 HH11 ARG A 53 -10.733 10.373 -1.694 1.00 45.14 H new ATOM 0 HH12 ARG A 53 -10.910 11.890 -0.806 1.00 45.14 H new ATOM 0 HH21 ARG A 53 -8.168 13.458 -2.420 1.00 71.52 H new ATOM 0 HH22 ARG A 53 -9.453 13.640 -1.221 1.00 71.52 H new ATOM 763 N GLY A 54 -5.305 8.477 -6.206 1.00 5.55 N ATOM 764 CA GLY A 54 -4.023 9.103 -6.128 1.00 44.24 C ATOM 765 C GLY A 54 -3.454 9.289 -7.501 1.00 1.13 C ATOM 766 O GLY A 54 -4.075 8.871 -8.472 1.00 22.42 O ATOM 0 H GLY A 54 -5.881 8.794 -6.986 1.00 5.55 H new ATOM 0 HA2 GLY A 54 -4.111 10.068 -5.629 1.00 44.24 H new ATOM 0 HA3 GLY A 54 -3.349 8.494 -5.526 1.00 44.24 H new ATOM 770 N PRO A 55 -2.287 9.915 -7.638 1.00 63.12 N ATOM 771 CA PRO A 55 -1.654 10.115 -8.947 1.00 72.23 C ATOM 772 C PRO A 55 -1.156 8.792 -9.521 1.00 52.21 C ATOM 773 O PRO A 55 -1.172 8.561 -10.721 1.00 60.31 O ATOM 774 CB PRO A 55 -0.470 11.041 -8.635 1.00 23.04 C ATOM 775 CG PRO A 55 -0.766 11.598 -7.284 1.00 70.23 C ATOM 776 CD PRO A 55 -1.500 10.524 -6.557 1.00 72.30 C ATOM 0 HA PRO A 55 -2.340 10.527 -9.687 1.00 72.23 H new ATOM 0 HB2 PRO A 55 0.472 10.493 -8.639 1.00 23.04 H new ATOM 0 HB3 PRO A 55 -0.381 11.833 -9.378 1.00 23.04 H new ATOM 0 HG2 PRO A 55 0.152 11.867 -6.762 1.00 70.23 H new ATOM 0 HG3 PRO A 55 -1.368 12.503 -7.357 1.00 70.23 H new ATOM 0 HD2 PRO A 55 -0.822 9.809 -6.091 1.00 72.30 H new ATOM 0 HD3 PRO A 55 -2.133 10.925 -5.766 1.00 72.30 H new ATOM 784 N ASN A 56 -0.745 7.931 -8.638 1.00 71.53 N ATOM 785 CA ASN A 56 -0.231 6.626 -8.987 1.00 62.21 C ATOM 786 C ASN A 56 -1.312 5.553 -8.799 1.00 52.03 C ATOM 787 O ASN A 56 -1.012 4.372 -8.610 1.00 43.24 O ATOM 788 CB ASN A 56 1.028 6.329 -8.152 1.00 0.45 C ATOM 789 CG ASN A 56 0.795 6.407 -6.659 1.00 54.43 C ATOM 790 OD1 ASN A 56 0.887 7.482 -6.053 1.00 5.04 O ATOM 791 ND2 ASN A 56 0.520 5.297 -6.054 1.00 41.44 N ATOM 0 H ASN A 56 -0.755 8.113 -7.634 1.00 71.53 H new ATOM 0 HA ASN A 56 0.050 6.613 -10.040 1.00 62.21 H new ATOM 0 HB2 ASN A 56 1.394 5.333 -8.403 1.00 0.45 H new ATOM 0 HB3 ASN A 56 1.811 7.035 -8.427 1.00 0.45 H new ATOM 0 HD21 ASN A 56 0.371 5.289 -5.045 1.00 41.44 H new ATOM 0 HD22 ASN A 56 0.452 4.429 -6.586 1.00 41.44 H new ATOM 798 N ALA A 57 -2.576 5.980 -8.841 1.00 31.43 N ATOM 799 CA ALA A 57 -3.714 5.078 -8.703 1.00 64.12 C ATOM 800 C ALA A 57 -3.744 4.073 -9.841 1.00 13.30 C ATOM 801 O ALA A 57 -3.397 4.398 -10.984 1.00 44.41 O ATOM 802 CB ALA A 57 -5.014 5.850 -8.661 1.00 60.11 C ATOM 0 H ALA A 57 -2.836 6.958 -8.971 1.00 31.43 H new ATOM 0 HA ALA A 57 -3.600 4.540 -7.762 1.00 64.12 H new ATOM 0 HB1 ALA A 57 -5.847 5.155 -8.558 1.00 60.11 H new ATOM 0 HB2 ALA A 57 -5.004 6.533 -7.812 1.00 60.11 H new ATOM 0 HB3 ALA A 57 -5.129 6.419 -9.583 1.00 60.11 H new ATOM 808 N GLY A 58 -4.140 2.871 -9.533 1.00 41.30 N ATOM 809 CA GLY A 58 -4.171 1.816 -10.511 1.00 40.44 C ATOM 810 C GLY A 58 -3.002 0.882 -10.330 1.00 13.30 C ATOM 811 O GLY A 58 -3.006 -0.253 -10.825 1.00 32.23 O ATOM 0 H GLY A 58 -4.450 2.593 -8.602 1.00 41.30 H new ATOM 0 HA2 GLY A 58 -5.104 1.259 -10.422 1.00 40.44 H new ATOM 0 HA3 GLY A 58 -4.149 2.243 -11.514 1.00 40.44 H new ATOM 815 N ALA A 59 -1.999 1.353 -9.624 1.00 32.52 N ATOM 816 CA ALA A 59 -0.816 0.572 -9.370 1.00 42.13 C ATOM 817 C ALA A 59 -1.006 -0.284 -8.137 1.00 2.21 C ATOM 818 O ALA A 59 -1.717 0.108 -7.193 1.00 73.35 O ATOM 819 CB ALA A 59 0.394 1.479 -9.195 1.00 71.31 C ATOM 0 H ALA A 59 -1.983 2.286 -9.212 1.00 32.52 H new ATOM 0 HA ALA A 59 -0.643 -0.079 -10.227 1.00 42.13 H new ATOM 0 HB1 ALA A 59 1.279 0.872 -9.004 1.00 71.31 H new ATOM 0 HB2 ALA A 59 0.544 2.064 -10.102 1.00 71.31 H new ATOM 0 HB3 ALA A 59 0.226 2.151 -8.353 1.00 71.31 H new ATOM 825 N ARG A 60 -0.396 -1.436 -8.145 1.00 3.35 N ATOM 826 CA ARG A 60 -0.440 -2.336 -7.028 1.00 12.15 C ATOM 827 C ARG A 60 0.987 -2.645 -6.621 1.00 61.53 C ATOM 828 O ARG A 60 1.862 -2.794 -7.475 1.00 30.23 O ATOM 829 CB ARG A 60 -1.197 -3.644 -7.368 1.00 11.44 C ATOM 830 CG ARG A 60 -0.543 -4.475 -8.467 1.00 24.24 C ATOM 831 CD ARG A 60 -1.196 -5.833 -8.649 1.00 41.34 C ATOM 832 NE ARG A 60 -2.584 -5.763 -9.127 1.00 74.53 N ATOM 833 CZ ARG A 60 -3.080 -6.526 -10.118 1.00 41.31 C ATOM 834 NH1 ARG A 60 -2.281 -7.352 -10.794 1.00 11.41 N ATOM 835 NH2 ARG A 60 -4.364 -6.453 -10.433 1.00 31.20 N ATOM 0 H ARG A 60 0.151 -1.779 -8.935 1.00 3.35 H new ATOM 0 HA ARG A 60 -0.983 -1.863 -6.209 1.00 12.15 H new ATOM 0 HB2 ARG A 60 -1.275 -4.251 -6.466 1.00 11.44 H new ATOM 0 HB3 ARG A 60 -2.213 -3.394 -7.673 1.00 11.44 H new ATOM 0 HG2 ARG A 60 -0.590 -3.926 -9.407 1.00 24.24 H new ATOM 0 HG3 ARG A 60 0.512 -4.614 -8.231 1.00 24.24 H new ATOM 0 HD2 ARG A 60 -0.607 -6.418 -9.356 1.00 41.34 H new ATOM 0 HD3 ARG A 60 -1.175 -6.366 -7.699 1.00 41.34 H new ATOM 0 HE ARG A 60 -3.211 -5.094 -8.679 1.00 74.53 H new ATOM 0 HH11 ARG A 60 -1.290 -7.407 -10.561 1.00 11.41 H new ATOM 0 HH12 ARG A 60 -2.661 -7.929 -11.545 1.00 11.41 H new ATOM 0 HH21 ARG A 60 -4.979 -5.818 -9.924 1.00 31.20 H new ATOM 0 HH22 ARG A 60 -4.738 -7.032 -11.185 1.00 31.20 H new ATOM 849 N PHE A 61 1.232 -2.695 -5.356 1.00 0.13 N ATOM 850 CA PHE A 61 2.545 -2.999 -4.854 1.00 2.03 C ATOM 851 C PHE A 61 2.438 -4.220 -3.977 1.00 60.14 C ATOM 852 O PHE A 61 1.519 -4.314 -3.156 1.00 40.41 O ATOM 853 CB PHE A 61 3.115 -1.814 -4.083 1.00 73.41 C ATOM 854 CG PHE A 61 3.200 -0.539 -4.894 1.00 2.03 C ATOM 855 CD1 PHE A 61 4.218 -0.352 -5.815 1.00 24.52 C ATOM 856 CD2 PHE A 61 2.264 0.470 -4.727 1.00 31.50 C ATOM 857 CE1 PHE A 61 4.301 0.813 -6.549 1.00 73.43 C ATOM 858 CE2 PHE A 61 2.342 1.635 -5.461 1.00 63.45 C ATOM 859 CZ PHE A 61 3.360 1.807 -6.373 1.00 4.04 C ATOM 0 H PHE A 61 0.532 -2.527 -4.633 1.00 0.13 H new ATOM 0 HA PHE A 61 3.227 -3.199 -5.680 1.00 2.03 H new ATOM 0 HB2 PHE A 61 2.496 -1.633 -3.204 1.00 73.41 H new ATOM 0 HB3 PHE A 61 4.111 -2.072 -3.724 1.00 73.41 H new ATOM 0 HD1 PHE A 61 4.955 -1.128 -5.960 1.00 24.52 H new ATOM 0 HD2 PHE A 61 1.464 0.342 -4.013 1.00 31.50 H new ATOM 0 HE1 PHE A 61 5.102 0.947 -7.261 1.00 73.43 H new ATOM 0 HE2 PHE A 61 1.605 2.412 -5.321 1.00 63.45 H new ATOM 0 HZ PHE A 61 3.422 2.718 -6.949 1.00 4.04 H new ATOM 869 N LEU A 62 3.338 -5.145 -4.145 1.00 25.42 N ATOM 870 CA LEU A 62 3.249 -6.410 -3.465 1.00 10.31 C ATOM 871 C LEU A 62 4.244 -6.472 -2.307 1.00 63.13 C ATOM 872 O LEU A 62 5.439 -6.195 -2.463 1.00 23.23 O ATOM 873 CB LEU A 62 3.422 -7.561 -4.499 1.00 12.15 C ATOM 874 CG LEU A 62 3.153 -9.016 -4.043 1.00 51.25 C ATOM 875 CD1 LEU A 62 2.897 -9.892 -5.258 1.00 42.54 C ATOM 876 CD2 LEU A 62 4.337 -9.585 -3.282 1.00 62.22 C ATOM 0 H LEU A 62 4.151 -5.047 -4.753 1.00 25.42 H new ATOM 0 HA LEU A 62 2.265 -6.529 -3.012 1.00 10.31 H new ATOM 0 HB2 LEU A 62 2.762 -7.351 -5.341 1.00 12.15 H new ATOM 0 HB3 LEU A 62 4.444 -7.516 -4.876 1.00 12.15 H new ATOM 0 HG LEU A 62 2.283 -9.003 -3.386 1.00 51.25 H new ATOM 0 HD11 LEU A 62 2.708 -10.916 -4.935 1.00 42.54 H new ATOM 0 HD12 LEU A 62 2.030 -9.517 -5.801 1.00 42.54 H new ATOM 0 HD13 LEU A 62 3.770 -9.873 -5.911 1.00 42.54 H new ATOM 0 HD21 LEU A 62 4.116 -10.608 -2.976 1.00 62.22 H new ATOM 0 HD22 LEU A 62 5.218 -9.581 -3.924 1.00 62.22 H new ATOM 0 HD23 LEU A 62 4.529 -8.976 -2.399 1.00 62.22 H new ATOM 888 N LEU A 63 3.749 -6.823 -1.159 1.00 35.14 N ATOM 889 CA LEU A 63 4.542 -6.901 0.027 1.00 30.10 C ATOM 890 C LEU A 63 4.848 -8.355 0.346 1.00 62.03 C ATOM 891 O LEU A 63 3.951 -9.128 0.703 1.00 14.33 O ATOM 892 CB LEU A 63 3.821 -6.225 1.205 1.00 23.41 C ATOM 893 CG LEU A 63 3.424 -4.749 1.015 1.00 62.10 C ATOM 894 CD1 LEU A 63 2.762 -4.211 2.266 1.00 64.12 C ATOM 895 CD2 LEU A 63 4.624 -3.892 0.649 1.00 51.32 C ATOM 0 H LEU A 63 2.768 -7.067 -1.019 1.00 35.14 H new ATOM 0 HA LEU A 63 5.481 -6.373 -0.140 1.00 30.10 H new ATOM 0 HB2 LEU A 63 2.918 -6.795 1.424 1.00 23.41 H new ATOM 0 HB3 LEU A 63 4.463 -6.295 2.083 1.00 23.41 H new ATOM 0 HG LEU A 63 2.713 -4.704 0.190 1.00 62.10 H new ATOM 0 HD11 LEU A 63 2.489 -3.167 2.113 1.00 64.12 H new ATOM 0 HD12 LEU A 63 1.866 -4.793 2.482 1.00 64.12 H new ATOM 0 HD13 LEU A 63 3.454 -4.285 3.105 1.00 64.12 H new ATOM 0 HD21 LEU A 63 4.307 -2.857 0.523 1.00 51.32 H new ATOM 0 HD22 LEU A 63 5.368 -3.949 1.444 1.00 51.32 H new ATOM 0 HD23 LEU A 63 5.059 -4.254 -0.282 1.00 51.32 H new ATOM 907 N ASP A 64 6.093 -8.737 0.128 1.00 43.41 N ATOM 908 CA ASP A 64 6.573 -10.089 0.448 1.00 10.34 C ATOM 909 C ASP A 64 8.037 -9.978 0.877 1.00 3.51 C ATOM 910 O ASP A 64 8.788 -10.955 0.950 1.00 60.03 O ATOM 911 CB ASP A 64 6.421 -11.005 -0.783 1.00 41.13 C ATOM 912 CG ASP A 64 6.702 -12.465 -0.492 1.00 33.32 C ATOM 913 OD1 ASP A 64 5.965 -13.076 0.309 1.00 35.04 O ATOM 914 OD2 ASP A 64 7.628 -13.043 -1.096 1.00 22.33 O ATOM 0 H ASP A 64 6.806 -8.129 -0.274 1.00 43.41 H new ATOM 0 HA ASP A 64 5.988 -10.527 1.257 1.00 10.34 H new ATOM 0 HB2 ASP A 64 5.408 -10.910 -1.173 1.00 41.13 H new ATOM 0 HB3 ASP A 64 7.098 -10.663 -1.566 1.00 41.13 H new ATOM 919 N GLN A 65 8.411 -8.769 1.206 1.00 21.24 N ATOM 920 CA GLN A 65 9.762 -8.440 1.591 1.00 45.24 C ATOM 921 C GLN A 65 9.771 -7.925 3.004 1.00 12.30 C ATOM 922 O GLN A 65 8.800 -7.318 3.426 1.00 3.33 O ATOM 923 CB GLN A 65 10.432 -7.411 0.639 1.00 72.35 C ATOM 924 CG GLN A 65 9.658 -6.119 0.339 1.00 3.24 C ATOM 925 CD GLN A 65 8.444 -6.314 -0.561 1.00 62.43 C ATOM 926 OE1 GLN A 65 8.400 -7.217 -1.385 1.00 74.43 O ATOM 927 NE2 GLN A 65 7.470 -5.464 -0.427 1.00 61.52 N ATOM 0 H GLN A 65 7.776 -7.971 1.215 1.00 21.24 H new ATOM 0 HA GLN A 65 10.350 -9.355 1.520 1.00 45.24 H new ATOM 0 HB2 GLN A 65 11.396 -7.135 1.066 1.00 72.35 H new ATOM 0 HB3 GLN A 65 10.634 -7.910 -0.308 1.00 72.35 H new ATOM 0 HG2 GLN A 65 9.331 -5.677 1.280 1.00 3.24 H new ATOM 0 HG3 GLN A 65 10.334 -5.404 -0.131 1.00 3.24 H new ATOM 0 HE21 GLN A 65 7.534 -4.721 0.269 1.00 61.52 H new ATOM 0 HE22 GLN A 65 6.642 -5.540 -1.017 1.00 61.52 H new ATOM 936 N PRO A 66 10.873 -8.142 3.746 1.00 33.21 N ATOM 937 CA PRO A 66 10.983 -7.745 5.155 1.00 43.03 C ATOM 938 C PRO A 66 10.708 -6.262 5.419 1.00 12.05 C ATOM 939 O PRO A 66 10.218 -5.894 6.493 1.00 60.43 O ATOM 940 CB PRO A 66 12.434 -8.065 5.512 1.00 72.02 C ATOM 941 CG PRO A 66 12.831 -9.130 4.561 1.00 10.24 C ATOM 942 CD PRO A 66 12.104 -8.828 3.286 1.00 2.01 C ATOM 0 HA PRO A 66 10.236 -8.270 5.750 1.00 43.03 H new ATOM 0 HB2 PRO A 66 13.070 -7.186 5.409 1.00 72.02 H new ATOM 0 HB3 PRO A 66 12.522 -8.403 6.544 1.00 72.02 H new ATOM 0 HG2 PRO A 66 13.910 -9.133 4.405 1.00 10.24 H new ATOM 0 HG3 PRO A 66 12.561 -10.115 4.942 1.00 10.24 H new ATOM 0 HD2 PRO A 66 12.696 -8.193 2.627 1.00 2.01 H new ATOM 0 HD3 PRO A 66 11.874 -9.737 2.730 1.00 2.01 H new ATOM 950 N THR A 67 11.008 -5.404 4.472 1.00 13.22 N ATOM 951 CA THR A 67 10.845 -3.984 4.712 1.00 54.23 C ATOM 952 C THR A 67 10.505 -3.244 3.419 1.00 43.10 C ATOM 953 O THR A 67 11.089 -3.504 2.370 1.00 22.32 O ATOM 954 CB THR A 67 12.136 -3.384 5.360 1.00 32.41 C ATOM 955 OG1 THR A 67 12.470 -4.135 6.550 1.00 31.00 O ATOM 956 CG2 THR A 67 11.932 -1.919 5.749 1.00 63.03 C ATOM 0 H THR A 67 11.359 -5.653 3.547 1.00 13.22 H new ATOM 0 HA THR A 67 10.014 -3.854 5.406 1.00 54.23 H new ATOM 0 HB THR A 67 12.941 -3.445 4.627 1.00 32.41 H new ATOM 0 HG1 THR A 67 13.280 -3.761 6.956 1.00 31.00 H new ATOM 0 HG21 THR A 67 12.847 -1.531 6.197 1.00 63.03 H new ATOM 0 HG22 THR A 67 11.687 -1.337 4.860 1.00 63.03 H new ATOM 0 HG23 THR A 67 11.116 -1.844 6.468 1.00 63.03 H new ATOM 964 N THR A 68 9.498 -2.417 3.477 1.00 73.22 N ATOM 965 CA THR A 68 9.113 -1.582 2.380 1.00 13.33 C ATOM 966 C THR A 68 8.866 -0.154 2.891 1.00 62.11 C ATOM 967 O THR A 68 7.958 0.073 3.687 1.00 22.44 O ATOM 968 CB THR A 68 7.840 -2.148 1.733 1.00 21.04 C ATOM 969 OG1 THR A 68 8.086 -3.520 1.406 1.00 53.33 O ATOM 970 CG2 THR A 68 7.484 -1.393 0.467 1.00 75.11 C ATOM 0 H THR A 68 8.913 -2.305 4.305 1.00 73.22 H new ATOM 0 HA THR A 68 9.907 -1.557 1.633 1.00 13.33 H new ATOM 0 HB THR A 68 7.008 -2.048 2.430 1.00 21.04 H new ATOM 0 HG1 THR A 68 8.838 -3.577 0.780 1.00 53.33 H new ATOM 0 HG21 THR A 68 6.579 -1.817 0.033 1.00 75.11 H new ATOM 0 HG22 THR A 68 7.315 -0.343 0.705 1.00 75.11 H new ATOM 0 HG23 THR A 68 8.302 -1.475 -0.248 1.00 75.11 H new ATOM 978 N THR A 69 9.679 0.776 2.474 1.00 62.14 N ATOM 979 CA THR A 69 9.504 2.153 2.872 1.00 12.10 C ATOM 980 C THR A 69 8.562 2.841 1.868 1.00 20.00 C ATOM 981 O THR A 69 8.727 2.675 0.654 1.00 4.50 O ATOM 982 CB THR A 69 10.876 2.857 2.910 1.00 53.54 C ATOM 983 OG1 THR A 69 11.780 2.060 3.707 1.00 40.45 O ATOM 984 CG2 THR A 69 10.766 4.248 3.526 1.00 61.25 C ATOM 0 H THR A 69 10.473 0.609 1.856 1.00 62.14 H new ATOM 0 HA THR A 69 9.065 2.208 3.868 1.00 12.10 H new ATOM 0 HB THR A 69 11.244 2.962 1.890 1.00 53.54 H new ATOM 0 HG1 THR A 69 12.658 2.495 3.739 1.00 40.45 H new ATOM 0 HG21 THR A 69 11.749 4.719 3.539 1.00 61.25 H new ATOM 0 HG22 THR A 69 10.081 4.855 2.934 1.00 61.25 H new ATOM 0 HG23 THR A 69 10.390 4.166 4.546 1.00 61.25 H new ATOM 992 N ALA A 70 7.574 3.564 2.357 1.00 43.41 N ATOM 993 CA ALA A 70 6.612 4.214 1.497 1.00 52.22 C ATOM 994 C ALA A 70 6.641 5.715 1.678 1.00 4.41 C ATOM 995 O ALA A 70 6.791 6.221 2.807 1.00 35.42 O ATOM 996 CB ALA A 70 5.221 3.687 1.775 1.00 11.04 C ATOM 0 H ALA A 70 7.418 3.715 3.354 1.00 43.41 H new ATOM 0 HA ALA A 70 6.881 3.991 0.465 1.00 52.22 H new ATOM 0 HB1 ALA A 70 4.506 4.185 1.120 1.00 11.04 H new ATOM 0 HB2 ALA A 70 5.195 2.613 1.590 1.00 11.04 H new ATOM 0 HB3 ALA A 70 4.959 3.883 2.815 1.00 11.04 H new ATOM 1002 N GLY A 71 6.513 6.401 0.583 1.00 5.43 N ATOM 1003 CA GLY A 71 6.511 7.830 0.544 1.00 63.53 C ATOM 1004 C GLY A 71 6.874 8.247 -0.842 1.00 53.30 C ATOM 1005 O GLY A 71 6.742 7.429 -1.774 1.00 55.31 O ATOM 0 H GLY A 71 6.404 5.968 -0.334 1.00 5.43 H new ATOM 0 HA2 GLY A 71 5.529 8.219 0.815 1.00 63.53 H new ATOM 0 HA3 GLY A 71 7.224 8.233 1.264 1.00 63.53 H new ATOM 1009 N ARG A 72 7.311 9.464 -1.025 1.00 52.33 N ATOM 1010 CA ARG A 72 7.754 9.861 -2.326 1.00 15.44 C ATOM 1011 C ARG A 72 9.200 10.268 -2.284 1.00 73.42 C ATOM 1012 O ARG A 72 9.547 11.261 -1.629 1.00 13.33 O ATOM 1013 CB ARG A 72 6.925 11.019 -2.891 1.00 23.13 C ATOM 1014 CG ARG A 72 7.357 11.404 -4.301 1.00 63.04 C ATOM 1015 CD ARG A 72 6.531 12.523 -4.893 1.00 12.51 C ATOM 1016 NE ARG A 72 6.676 13.787 -4.174 1.00 75.34 N ATOM 1017 CZ ARG A 72 6.412 14.979 -4.724 1.00 71.12 C ATOM 1018 NH1 ARG A 72 5.776 15.042 -5.901 1.00 71.10 N ATOM 1019 NH2 ARG A 72 6.694 16.092 -4.060 1.00 2.10 N ATOM 0 H ARG A 72 7.368 10.182 -0.303 1.00 52.33 H new ATOM 0 HA ARG A 72 7.626 8.999 -2.980 1.00 15.44 H new ATOM 0 HB2 ARG A 72 5.872 10.739 -2.900 1.00 23.13 H new ATOM 0 HB3 ARG A 72 7.019 11.885 -2.235 1.00 23.13 H new ATOM 0 HG2 ARG A 72 8.405 11.705 -4.284 1.00 63.04 H new ATOM 0 HG3 ARG A 72 7.287 10.529 -4.947 1.00 63.04 H new ATOM 0 HD2 ARG A 72 6.821 12.669 -5.934 1.00 12.51 H new ATOM 0 HD3 ARG A 72 5.481 12.230 -4.893 1.00 12.51 H new ATOM 0 HE ARG A 72 6.994 13.760 -3.205 1.00 75.34 H new ATOM 0 HH11 ARG A 72 5.495 14.184 -6.375 1.00 71.10 H new ATOM 0 HH12 ARG A 72 5.573 15.948 -6.323 1.00 71.10 H new ATOM 0 HH21 ARG A 72 7.112 16.040 -3.131 1.00 2.10 H new ATOM 0 HH22 ARG A 72 6.493 17.000 -4.478 1.00 2.10 H new ATOM 1033 N HIS A 73 10.003 9.524 -3.024 1.00 30.02 N ATOM 1034 CA HIS A 73 11.417 9.756 -3.272 1.00 43.20 C ATOM 1035 C HIS A 73 11.935 8.406 -3.761 1.00 73.35 C ATOM 1036 O HIS A 73 11.274 7.405 -3.519 1.00 24.14 O ATOM 1037 CB HIS A 73 12.186 10.178 -1.975 1.00 63.40 C ATOM 1038 CG HIS A 73 13.248 11.210 -2.238 1.00 43.13 C ATOM 1039 ND1 HIS A 73 14.512 11.211 -1.687 1.00 4.42 N ATOM 1040 CD2 HIS A 73 13.198 12.301 -3.039 1.00 42.31 C ATOM 1041 CE1 HIS A 73 15.170 12.266 -2.168 1.00 41.30 C ATOM 1042 NE2 HIS A 73 14.415 12.962 -2.994 1.00 42.42 N ATOM 0 H HIS A 73 9.664 8.687 -3.499 1.00 30.02 H new ATOM 0 HA HIS A 73 11.566 10.568 -3.984 1.00 43.20 H new ATOM 0 HB2 HIS A 73 11.475 10.571 -1.248 1.00 63.40 H new ATOM 0 HB3 HIS A 73 12.645 9.297 -1.527 1.00 63.40 H new ATOM 0 HD1 HIS A 73 14.879 10.525 -1.027 1.00 4.42 H new ATOM 0 HD2 HIS A 73 12.342 12.608 -3.622 1.00 42.31 H new ATOM 0 HE1 HIS A 73 16.189 12.518 -1.914 1.00 41.30 H new ATOM 1050 N PRO A 74 13.071 8.324 -4.479 1.00 25.32 N ATOM 1051 CA PRO A 74 13.643 7.021 -4.898 1.00 0.35 C ATOM 1052 C PRO A 74 14.090 6.168 -3.697 1.00 21.50 C ATOM 1053 O PRO A 74 14.422 4.985 -3.831 1.00 21.53 O ATOM 1054 CB PRO A 74 14.861 7.416 -5.742 1.00 0.01 C ATOM 1055 CG PRO A 74 15.159 8.825 -5.362 1.00 74.14 C ATOM 1056 CD PRO A 74 13.848 9.448 -5.023 1.00 40.22 C ATOM 0 HA PRO A 74 12.913 6.413 -5.433 1.00 0.35 H new ATOM 0 HB2 PRO A 74 15.710 6.765 -5.536 1.00 0.01 H new ATOM 0 HB3 PRO A 74 14.646 7.333 -6.807 1.00 0.01 H new ATOM 0 HG2 PRO A 74 15.840 8.864 -4.512 1.00 74.14 H new ATOM 0 HG3 PRO A 74 15.642 9.356 -6.182 1.00 74.14 H new ATOM 0 HD2 PRO A 74 13.960 10.250 -4.293 1.00 40.22 H new ATOM 0 HD3 PRO A 74 13.369 9.881 -5.901 1.00 40.22 H new ATOM 1064 N GLU A 75 14.093 6.782 -2.531 1.00 22.14 N ATOM 1065 CA GLU A 75 14.479 6.128 -1.304 1.00 35.45 C ATOM 1066 C GLU A 75 13.307 5.336 -0.739 1.00 14.00 C ATOM 1067 O GLU A 75 13.458 4.553 0.202 1.00 11.04 O ATOM 1068 CB GLU A 75 14.972 7.161 -0.312 1.00 32.41 C ATOM 1069 CG GLU A 75 16.097 8.005 -0.871 1.00 31.42 C ATOM 1070 CD GLU A 75 16.598 9.018 0.099 1.00 23.20 C ATOM 1071 OE1 GLU A 75 15.962 10.060 0.258 1.00 35.40 O ATOM 1072 OE2 GLU A 75 17.672 8.799 0.696 1.00 32.24 O ATOM 0 H GLU A 75 13.824 7.759 -2.411 1.00 22.14 H new ATOM 0 HA GLU A 75 15.289 5.427 -1.504 1.00 35.45 H new ATOM 0 HB2 GLU A 75 14.144 7.809 -0.024 1.00 32.41 H new ATOM 0 HB3 GLU A 75 15.313 6.658 0.593 1.00 32.41 H new ATOM 0 HG2 GLU A 75 16.920 7.355 -1.167 1.00 31.42 H new ATOM 0 HG3 GLU A 75 15.751 8.512 -1.772 1.00 31.42 H new ATOM 1079 N SER A 76 12.149 5.557 -1.300 1.00 74.24 N ATOM 1080 CA SER A 76 10.994 4.804 -0.966 1.00 73.44 C ATOM 1081 C SER A 76 11.003 3.561 -1.876 1.00 64.13 C ATOM 1082 O SER A 76 11.452 3.634 -3.033 1.00 73.03 O ATOM 1083 CB SER A 76 9.762 5.675 -1.211 1.00 12.23 C ATOM 1084 OG SER A 76 9.932 6.965 -0.598 1.00 44.54 O ATOM 0 H SER A 76 11.990 6.274 -2.008 1.00 74.24 H new ATOM 0 HA SER A 76 10.979 4.493 0.079 1.00 73.44 H new ATOM 0 HB2 SER A 76 9.599 5.793 -2.282 1.00 12.23 H new ATOM 0 HB3 SER A 76 8.876 5.186 -0.805 1.00 12.23 H new ATOM 0 HG SER A 76 9.890 6.872 0.377 1.00 44.54 H new ATOM 1090 N ASP A 77 10.566 2.431 -1.365 1.00 21.35 N ATOM 1091 CA ASP A 77 10.600 1.195 -2.142 1.00 2.24 C ATOM 1092 C ASP A 77 9.481 1.188 -3.137 1.00 42.43 C ATOM 1093 O ASP A 77 9.645 0.802 -4.302 1.00 62.01 O ATOM 1094 CB ASP A 77 10.490 -0.030 -1.252 1.00 35.41 C ATOM 1095 CG ASP A 77 10.599 -1.311 -2.050 1.00 74.32 C ATOM 1096 OD1 ASP A 77 11.741 -1.761 -2.304 1.00 64.32 O ATOM 1097 OD2 ASP A 77 9.571 -1.878 -2.444 1.00 60.10 O ATOM 0 H ASP A 77 10.185 2.334 -0.424 1.00 21.35 H new ATOM 0 HA ASP A 77 11.559 1.155 -2.658 1.00 2.24 H new ATOM 0 HB2 ASP A 77 11.276 -0.003 -0.497 1.00 35.41 H new ATOM 0 HB3 ASP A 77 9.538 -0.011 -0.722 1.00 35.41 H new ATOM 1102 N ILE A 78 8.346 1.609 -2.682 1.00 43.33 N ATOM 1103 CA ILE A 78 7.203 1.712 -3.513 1.00 53.42 C ATOM 1104 C ILE A 78 6.910 3.178 -3.695 1.00 44.33 C ATOM 1105 O ILE A 78 6.963 3.947 -2.731 1.00 15.21 O ATOM 1106 CB ILE A 78 5.993 0.851 -2.979 1.00 24.12 C ATOM 1107 CG1 ILE A 78 5.513 1.230 -1.561 1.00 1.55 C ATOM 1108 CG2 ILE A 78 6.359 -0.619 -3.007 1.00 31.12 C ATOM 1109 CD1 ILE A 78 4.536 2.377 -1.510 1.00 53.33 C ATOM 0 H ILE A 78 8.190 1.892 -1.715 1.00 43.33 H new ATOM 0 HA ILE A 78 7.392 1.278 -4.495 1.00 53.42 H new ATOM 0 HB ILE A 78 5.160 1.065 -3.649 1.00 24.12 H new ATOM 0 HG12 ILE A 78 5.050 0.356 -1.104 1.00 1.55 H new ATOM 0 HG13 ILE A 78 6.382 1.484 -0.954 1.00 1.55 H new ATOM 0 HG21 ILE A 78 5.521 -1.210 -2.637 1.00 31.12 H new ATOM 0 HG22 ILE A 78 6.590 -0.917 -4.030 1.00 31.12 H new ATOM 0 HG23 ILE A 78 7.230 -0.789 -2.374 1.00 31.12 H new ATOM 0 HD11 ILE A 78 4.256 2.571 -0.475 1.00 53.33 H new ATOM 0 HD12 ILE A 78 4.999 3.268 -1.933 1.00 53.33 H new ATOM 0 HD13 ILE A 78 3.646 2.122 -2.085 1.00 53.33 H new ATOM 1121 N PHE A 79 6.685 3.583 -4.910 1.00 11.25 N ATOM 1122 CA PHE A 79 6.567 4.983 -5.195 1.00 14.21 C ATOM 1123 C PHE A 79 5.126 5.445 -5.170 1.00 54.14 C ATOM 1124 O PHE A 79 4.288 4.985 -5.955 1.00 5.23 O ATOM 1125 CB PHE A 79 7.229 5.322 -6.541 1.00 33.05 C ATOM 1126 CG PHE A 79 7.356 6.802 -6.815 1.00 61.04 C ATOM 1127 CD1 PHE A 79 8.461 7.505 -6.358 1.00 42.23 C ATOM 1128 CD2 PHE A 79 6.380 7.486 -7.528 1.00 11.53 C ATOM 1129 CE1 PHE A 79 8.593 8.855 -6.604 1.00 44.43 C ATOM 1130 CE2 PHE A 79 6.507 8.838 -7.775 1.00 21.32 C ATOM 1131 CZ PHE A 79 7.613 9.523 -7.313 1.00 22.14 C ATOM 0 H PHE A 79 6.580 2.967 -5.717 1.00 11.25 H new ATOM 0 HA PHE A 79 7.092 5.522 -4.406 1.00 14.21 H new ATOM 0 HB2 PHE A 79 8.222 4.873 -6.568 1.00 33.05 H new ATOM 0 HB3 PHE A 79 6.650 4.864 -7.343 1.00 33.05 H new ATOM 0 HD1 PHE A 79 9.229 6.988 -5.802 1.00 42.23 H new ATOM 0 HD2 PHE A 79 5.513 6.955 -7.893 1.00 11.53 H new ATOM 0 HE1 PHE A 79 9.460 9.389 -6.244 1.00 44.43 H new ATOM 0 HE2 PHE A 79 5.741 9.360 -8.330 1.00 21.32 H new ATOM 0 HZ PHE A 79 7.712 10.581 -7.506 1.00 22.14 H new ATOM 1141 N LEU A 80 4.853 6.326 -4.259 1.00 54.21 N ATOM 1142 CA LEU A 80 3.585 6.990 -4.154 1.00 51.12 C ATOM 1143 C LEU A 80 3.883 8.436 -4.396 1.00 31.01 C ATOM 1144 O LEU A 80 4.924 8.912 -3.960 1.00 10.55 O ATOM 1145 CB LEU A 80 3.005 6.841 -2.738 1.00 10.15 C ATOM 1146 CG LEU A 80 2.801 5.420 -2.210 1.00 34.21 C ATOM 1147 CD1 LEU A 80 2.291 5.461 -0.779 1.00 4.51 C ATOM 1148 CD2 LEU A 80 1.834 4.644 -3.087 1.00 75.24 C ATOM 0 H LEU A 80 5.523 6.613 -3.546 1.00 54.21 H new ATOM 0 HA LEU A 80 2.863 6.573 -4.856 1.00 51.12 H new ATOM 0 HB2 LEU A 80 3.664 7.367 -2.047 1.00 10.15 H new ATOM 0 HB3 LEU A 80 2.043 7.352 -2.712 1.00 10.15 H new ATOM 0 HG LEU A 80 3.764 4.909 -2.232 1.00 34.21 H new ATOM 0 HD11 LEU A 80 2.150 4.444 -0.414 1.00 4.51 H new ATOM 0 HD12 LEU A 80 3.017 5.975 -0.149 1.00 4.51 H new ATOM 0 HD13 LEU A 80 1.341 5.994 -0.747 1.00 4.51 H new ATOM 0 HD21 LEU A 80 1.708 3.638 -2.688 1.00 75.24 H new ATOM 0 HD22 LEU A 80 0.869 5.151 -3.103 1.00 75.24 H new ATOM 0 HD23 LEU A 80 2.229 4.585 -4.101 1.00 75.24 H new ATOM 1160 N ASP A 81 3.050 9.131 -5.104 1.00 45.44 N ATOM 1161 CA ASP A 81 3.331 10.537 -5.310 1.00 53.43 C ATOM 1162 C ASP A 81 2.666 11.337 -4.226 1.00 10.35 C ATOM 1163 O ASP A 81 1.446 11.350 -4.115 1.00 51.45 O ATOM 1164 CB ASP A 81 2.906 11.016 -6.714 1.00 44.10 C ATOM 1165 CG ASP A 81 3.082 12.526 -6.926 1.00 64.21 C ATOM 1166 OD1 ASP A 81 4.234 13.003 -7.076 1.00 55.22 O ATOM 1167 OD2 ASP A 81 2.059 13.256 -6.991 1.00 41.12 O ATOM 0 H ASP A 81 2.198 8.776 -5.539 1.00 45.44 H new ATOM 0 HA ASP A 81 4.409 10.688 -5.255 1.00 53.43 H new ATOM 0 HB2 ASP A 81 3.490 10.482 -7.463 1.00 44.10 H new ATOM 0 HB3 ASP A 81 1.861 10.754 -6.878 1.00 44.10 H new ATOM 1172 N ASP A 82 3.473 11.988 -3.434 1.00 14.25 N ATOM 1173 CA ASP A 82 3.014 12.795 -2.320 1.00 31.31 C ATOM 1174 C ASP A 82 2.925 14.244 -2.756 1.00 21.13 C ATOM 1175 O ASP A 82 3.440 14.606 -3.816 1.00 74.43 O ATOM 1176 CB ASP A 82 3.967 12.627 -1.101 1.00 2.44 C ATOM 1177 CG ASP A 82 3.616 13.533 0.074 1.00 5.53 C ATOM 1178 OD1 ASP A 82 2.430 13.637 0.407 1.00 15.35 O ATOM 1179 OD2 ASP A 82 4.520 14.225 0.593 1.00 73.22 O ATOM 0 H ASP A 82 4.487 11.977 -3.541 1.00 14.25 H new ATOM 0 HA ASP A 82 2.023 12.463 -2.010 1.00 31.31 H new ATOM 0 HB2 ASP A 82 3.941 11.589 -0.770 1.00 2.44 H new ATOM 0 HB3 ASP A 82 4.989 12.835 -1.417 1.00 2.44 H new ATOM 1184 N VAL A 83 2.287 15.056 -1.964 1.00 11.53 N ATOM 1185 CA VAL A 83 2.107 16.450 -2.263 1.00 70.12 C ATOM 1186 C VAL A 83 3.433 17.205 -2.063 1.00 44.44 C ATOM 1187 O VAL A 83 3.728 18.171 -2.771 1.00 21.43 O ATOM 1188 CB VAL A 83 0.985 17.069 -1.369 1.00 71.24 C ATOM 1189 CG1 VAL A 83 0.750 18.541 -1.692 1.00 60.51 C ATOM 1190 CG2 VAL A 83 -0.315 16.282 -1.518 1.00 61.21 C ATOM 0 H VAL A 83 1.871 14.766 -1.079 1.00 11.53 H new ATOM 0 HA VAL A 83 1.799 16.545 -3.304 1.00 70.12 H new ATOM 0 HB VAL A 83 1.322 17.006 -0.334 1.00 71.24 H new ATOM 0 HG11 VAL A 83 -0.037 18.933 -1.049 1.00 60.51 H new ATOM 0 HG12 VAL A 83 1.669 19.102 -1.524 1.00 60.51 H new ATOM 0 HG13 VAL A 83 0.450 18.641 -2.735 1.00 60.51 H new ATOM 0 HG21 VAL A 83 -1.085 16.728 -0.888 1.00 61.21 H new ATOM 0 HG22 VAL A 83 -0.638 16.307 -2.559 1.00 61.21 H new ATOM 0 HG23 VAL A 83 -0.151 15.248 -1.214 1.00 61.21 H new ATOM 1200 N THR A 84 4.245 16.737 -1.146 1.00 30.33 N ATOM 1201 CA THR A 84 5.477 17.400 -0.833 1.00 21.31 C ATOM 1202 C THR A 84 6.601 16.340 -0.664 1.00 5.14 C ATOM 1203 O THR A 84 6.582 15.280 -1.324 1.00 63.53 O ATOM 1204 CB THR A 84 5.280 18.288 0.451 1.00 61.41 C ATOM 1205 OG1 THR A 84 6.479 19.042 0.781 1.00 40.43 O ATOM 1206 CG2 THR A 84 4.849 17.445 1.643 1.00 51.35 C ATOM 0 H THR A 84 4.068 15.892 -0.602 1.00 30.33 H new ATOM 0 HA THR A 84 5.777 18.065 -1.643 1.00 21.31 H new ATOM 0 HB THR A 84 4.488 19.001 0.221 1.00 61.41 H new ATOM 0 HG1 THR A 84 6.271 19.697 1.480 1.00 40.43 H new ATOM 0 HG21 THR A 84 4.721 18.086 2.515 1.00 51.35 H new ATOM 0 HG22 THR A 84 3.905 16.949 1.416 1.00 51.35 H new ATOM 0 HG23 THR A 84 5.612 16.695 1.853 1.00 51.35 H new ATOM 1214 N VAL A 85 7.600 16.645 0.116 1.00 74.04 N ATOM 1215 CA VAL A 85 8.658 15.718 0.356 1.00 73.41 C ATOM 1216 C VAL A 85 8.370 14.919 1.609 1.00 32.44 C ATOM 1217 O VAL A 85 8.559 15.394 2.740 1.00 64.00 O ATOM 1218 CB VAL A 85 10.038 16.417 0.489 1.00 23.23 C ATOM 1219 CG1 VAL A 85 11.154 15.399 0.715 1.00 3.41 C ATOM 1220 CG2 VAL A 85 10.330 17.249 -0.741 1.00 53.45 C ATOM 0 H VAL A 85 7.699 17.538 0.598 1.00 74.04 H new ATOM 0 HA VAL A 85 8.708 15.055 -0.508 1.00 73.41 H new ATOM 0 HB VAL A 85 9.998 17.074 1.358 1.00 23.23 H new ATOM 0 HG11 VAL A 85 12.108 15.919 0.804 1.00 3.41 H new ATOM 0 HG12 VAL A 85 10.958 14.841 1.631 1.00 3.41 H new ATOM 0 HG13 VAL A 85 11.194 14.710 -0.128 1.00 3.41 H new ATOM 0 HG21 VAL A 85 11.301 17.732 -0.631 1.00 53.45 H new ATOM 0 HG22 VAL A 85 10.342 16.606 -1.621 1.00 53.45 H new ATOM 0 HG23 VAL A 85 9.558 18.009 -0.858 1.00 53.45 H new ATOM 1230 N SER A 86 7.862 13.756 1.412 1.00 4.33 N ATOM 1231 CA SER A 86 7.683 12.823 2.462 1.00 12.23 C ATOM 1232 C SER A 86 8.404 11.555 2.065 1.00 64.53 C ATOM 1233 O SER A 86 7.842 10.687 1.410 1.00 51.23 O ATOM 1234 CB SER A 86 6.196 12.570 2.743 1.00 1.25 C ATOM 1235 OG SER A 86 5.526 13.789 3.050 1.00 64.24 O ATOM 0 H SER A 86 7.554 13.421 0.499 1.00 4.33 H new ATOM 0 HA SER A 86 8.097 13.213 3.392 1.00 12.23 H new ATOM 0 HB2 SER A 86 5.731 12.103 1.875 1.00 1.25 H new ATOM 0 HB3 SER A 86 6.092 11.873 3.574 1.00 1.25 H new ATOM 0 HG SER A 86 5.051 14.110 2.255 1.00 64.24 H new ATOM 1241 N ARG A 87 9.698 11.532 2.352 1.00 51.03 N ATOM 1242 CA ARG A 87 10.546 10.382 2.039 1.00 65.24 C ATOM 1243 C ARG A 87 10.095 9.140 2.781 1.00 52.42 C ATOM 1244 O ARG A 87 10.012 8.049 2.206 1.00 70.23 O ATOM 1245 CB ARG A 87 12.037 10.696 2.259 1.00 61.33 C ATOM 1246 CG ARG A 87 12.336 11.624 3.431 1.00 14.25 C ATOM 1247 CD ARG A 87 13.823 11.812 3.594 1.00 72.51 C ATOM 1248 NE ARG A 87 14.181 13.027 4.353 1.00 64.14 N ATOM 1249 CZ ARG A 87 15.341 13.157 5.018 1.00 64.23 C ATOM 1250 NH1 ARG A 87 15.871 12.105 5.630 1.00 43.42 N ATOM 1251 NH2 ARG A 87 15.874 14.354 5.195 1.00 53.34 N ATOM 0 H ARG A 87 10.190 12.302 2.805 1.00 51.03 H new ATOM 0 HA ARG A 87 10.432 10.168 0.976 1.00 65.24 H new ATOM 0 HB2 ARG A 87 12.571 9.758 2.413 1.00 61.33 H new ATOM 0 HB3 ARG A 87 12.436 11.145 1.349 1.00 61.33 H new ATOM 0 HG2 ARG A 87 11.858 12.590 3.268 1.00 14.25 H new ATOM 0 HG3 ARG A 87 11.914 11.210 4.347 1.00 14.25 H new ATOM 0 HD2 ARG A 87 14.238 10.941 4.100 1.00 72.51 H new ATOM 0 HD3 ARG A 87 14.286 11.859 2.608 1.00 72.51 H new ATOM 0 HE ARG A 87 13.518 13.802 4.373 1.00 64.14 H new ATOM 0 HH11 ARG A 87 15.398 11.202 5.594 1.00 43.42 H new ATOM 0 HH12 ARG A 87 16.752 12.199 6.136 1.00 43.42 H new ATOM 0 HH21 ARG A 87 15.404 15.181 4.826 1.00 53.34 H new ATOM 0 HH22 ARG A 87 16.755 14.450 5.700 1.00 53.34 H new ATOM 1265 N ARG A 88 9.801 9.297 4.044 1.00 42.44 N ATOM 1266 CA ARG A 88 9.205 8.230 4.792 1.00 53.44 C ATOM 1267 C ARG A 88 7.860 8.698 5.279 1.00 32.00 C ATOM 1268 O ARG A 88 7.783 9.629 6.063 1.00 2.23 O ATOM 1269 CB ARG A 88 10.021 7.806 6.023 1.00 51.12 C ATOM 1270 CG ARG A 88 11.413 7.245 5.805 1.00 51.11 C ATOM 1271 CD ARG A 88 11.900 6.621 7.116 1.00 21.15 C ATOM 1272 NE ARG A 88 13.306 6.212 7.087 1.00 13.43 N ATOM 1273 CZ ARG A 88 13.873 5.336 7.939 1.00 12.32 C ATOM 1274 NH1 ARG A 88 13.118 4.514 8.677 1.00 14.24 N ATOM 1275 NH2 ARG A 88 15.205 5.237 8.006 1.00 42.40 N ATOM 0 H ARG A 88 9.965 10.153 4.573 1.00 42.44 H new ATOM 0 HA ARG A 88 9.146 7.369 4.126 1.00 53.44 H new ATOM 0 HB2 ARG A 88 10.111 8.673 6.677 1.00 51.12 H new ATOM 0 HB3 ARG A 88 9.442 7.058 6.564 1.00 51.12 H new ATOM 0 HG2 ARG A 88 11.399 6.497 5.012 1.00 51.11 H new ATOM 0 HG3 ARG A 88 12.093 8.035 5.486 1.00 51.11 H new ATOM 0 HD2 ARG A 88 11.756 7.338 7.925 1.00 21.15 H new ATOM 0 HD3 ARG A 88 11.283 5.752 7.346 1.00 21.15 H new ATOM 0 HE ARG A 88 13.901 6.622 6.367 1.00 13.43 H new ATOM 0 HH11 ARG A 88 12.102 4.546 8.598 1.00 14.24 H new ATOM 0 HH12 ARG A 88 13.559 3.855 9.319 1.00 14.24 H new ATOM 0 HH21 ARG A 88 15.791 5.824 7.412 1.00 42.40 H new ATOM 0 HH22 ARG A 88 15.635 4.574 8.651 1.00 42.40 H new ATOM 1289 N HIS A 89 6.814 8.154 4.765 1.00 65.30 N ATOM 1290 CA HIS A 89 5.523 8.444 5.333 1.00 54.22 C ATOM 1291 C HIS A 89 5.142 7.278 6.224 1.00 70.13 C ATOM 1292 O HIS A 89 4.855 7.436 7.399 1.00 72.24 O ATOM 1293 CB HIS A 89 4.460 8.725 4.258 1.00 20.20 C ATOM 1294 CG HIS A 89 3.126 9.147 4.828 1.00 35.44 C ATOM 1295 ND1 HIS A 89 1.953 8.652 4.340 1.00 51.10 N ATOM 1296 CD2 HIS A 89 2.849 10.025 5.831 1.00 12.33 C ATOM 1297 CE1 HIS A 89 0.997 9.226 5.044 1.00 12.51 C ATOM 1298 NE2 HIS A 89 1.484 10.061 5.955 1.00 65.21 N ATOM 0 H HIS A 89 6.813 7.517 3.968 1.00 65.30 H new ATOM 0 HA HIS A 89 5.577 9.360 5.921 1.00 54.22 H new ATOM 0 HB2 HIS A 89 4.826 9.507 3.592 1.00 20.20 H new ATOM 0 HB3 HIS A 89 4.321 7.829 3.652 1.00 20.20 H new ATOM 0 HD2 HIS A 89 3.565 10.584 6.415 1.00 12.33 H new ATOM 0 HE1 HIS A 89 -0.057 9.039 4.897 1.00 12.51 H new ATOM 0 HE2 HIS A 89 0.947 10.620 6.618 1.00 65.21 H new ATOM 1306 N ALA A 90 5.237 6.109 5.682 1.00 44.12 N ATOM 1307 CA ALA A 90 4.931 4.921 6.409 1.00 42.33 C ATOM 1308 C ALA A 90 5.890 3.853 5.988 1.00 2.41 C ATOM 1309 O ALA A 90 6.383 3.868 4.856 1.00 74.03 O ATOM 1310 CB ALA A 90 3.497 4.481 6.134 1.00 23.21 C ATOM 0 H ALA A 90 5.530 5.950 4.718 1.00 44.12 H new ATOM 0 HA ALA A 90 5.024 5.108 7.479 1.00 42.33 H new ATOM 0 HB1 ALA A 90 3.281 3.573 6.697 1.00 23.21 H new ATOM 0 HB2 ALA A 90 2.809 5.270 6.439 1.00 23.21 H new ATOM 0 HB3 ALA A 90 3.374 4.285 5.069 1.00 23.21 H new ATOM 1316 N GLU A 91 6.209 2.975 6.866 1.00 11.31 N ATOM 1317 CA GLU A 91 7.030 1.868 6.512 1.00 0.12 C ATOM 1318 C GLU A 91 6.331 0.579 6.849 1.00 31.44 C ATOM 1319 O GLU A 91 5.712 0.439 7.909 1.00 60.01 O ATOM 1320 CB GLU A 91 8.469 1.961 7.077 1.00 21.20 C ATOM 1321 CG GLU A 91 8.588 2.154 8.581 1.00 54.40 C ATOM 1322 CD GLU A 91 10.037 2.238 9.025 1.00 21.13 C ATOM 1323 OE1 GLU A 91 10.633 3.342 8.992 1.00 2.30 O ATOM 1324 OE2 GLU A 91 10.617 1.200 9.404 1.00 64.53 O ATOM 0 H GLU A 91 5.914 2.998 7.842 1.00 11.31 H new ATOM 0 HA GLU A 91 7.175 1.892 5.432 1.00 0.12 H new ATOM 0 HB2 GLU A 91 9.004 1.051 6.805 1.00 21.20 H new ATOM 0 HB3 GLU A 91 8.978 2.789 6.584 1.00 21.20 H new ATOM 0 HG2 GLU A 91 8.065 3.064 8.873 1.00 54.40 H new ATOM 0 HG3 GLU A 91 8.098 1.326 9.094 1.00 54.40 H new ATOM 1331 N PHE A 92 6.380 -0.330 5.932 1.00 12.00 N ATOM 1332 CA PHE A 92 5.722 -1.591 6.065 1.00 24.24 C ATOM 1333 C PHE A 92 6.764 -2.623 6.352 1.00 44.11 C ATOM 1334 O PHE A 92 7.756 -2.744 5.613 1.00 74.42 O ATOM 1335 CB PHE A 92 5.003 -1.963 4.757 1.00 41.52 C ATOM 1336 CG PHE A 92 3.943 -0.993 4.315 1.00 25.21 C ATOM 1337 CD1 PHE A 92 4.264 0.112 3.538 1.00 2.04 C ATOM 1338 CD2 PHE A 92 2.630 -1.194 4.669 1.00 42.22 C ATOM 1339 CE1 PHE A 92 3.284 0.995 3.132 1.00 64.51 C ATOM 1340 CE2 PHE A 92 1.646 -0.315 4.267 1.00 24.34 C ATOM 1341 CZ PHE A 92 1.974 0.783 3.498 1.00 62.03 C ATOM 0 H PHE A 92 6.886 -0.217 5.054 1.00 12.00 H new ATOM 0 HA PHE A 92 4.985 -1.538 6.867 1.00 24.24 H new ATOM 0 HB2 PHE A 92 5.746 -2.052 3.964 1.00 41.52 H new ATOM 0 HB3 PHE A 92 4.547 -2.946 4.878 1.00 41.52 H new ATOM 0 HD1 PHE A 92 5.290 0.282 3.249 1.00 2.04 H new ATOM 0 HD2 PHE A 92 2.365 -2.052 5.270 1.00 42.22 H new ATOM 0 HE1 PHE A 92 3.545 1.851 2.528 1.00 64.51 H new ATOM 0 HE2 PHE A 92 0.619 -0.486 4.554 1.00 24.34 H new ATOM 0 HZ PHE A 92 1.205 1.474 3.184 1.00 62.03 H new ATOM 1351 N ARG A 93 6.588 -3.324 7.414 1.00 0.21 N ATOM 1352 CA ARG A 93 7.511 -4.351 7.790 1.00 14.51 C ATOM 1353 C ARG A 93 6.803 -5.674 7.726 1.00 54.32 C ATOM 1354 O ARG A 93 5.702 -5.826 8.267 1.00 65.43 O ATOM 1355 CB ARG A 93 8.067 -4.092 9.184 1.00 44.43 C ATOM 1356 CG ARG A 93 8.800 -2.769 9.304 1.00 54.53 C ATOM 1357 CD ARG A 93 9.284 -2.529 10.713 1.00 62.12 C ATOM 1358 NE ARG A 93 10.012 -1.262 10.824 1.00 24.54 N ATOM 1359 CZ ARG A 93 10.769 -0.905 11.854 1.00 35.14 C ATOM 1360 NH1 ARG A 93 10.874 -1.690 12.926 1.00 60.22 N ATOM 1361 NH2 ARG A 93 11.390 0.247 11.810 1.00 61.52 N ATOM 0 H ARG A 93 5.801 -3.207 8.052 1.00 0.21 H new ATOM 0 HA ARG A 93 8.357 -4.359 7.103 1.00 14.51 H new ATOM 0 HB2 ARG A 93 7.248 -4.112 9.903 1.00 44.43 H new ATOM 0 HB3 ARG A 93 8.746 -4.901 9.452 1.00 44.43 H new ATOM 0 HG2 ARG A 93 9.649 -2.759 8.620 1.00 54.53 H new ATOM 0 HG3 ARG A 93 8.138 -1.957 9.002 1.00 54.53 H new ATOM 0 HD2 ARG A 93 8.433 -2.522 11.394 1.00 62.12 H new ATOM 0 HD3 ARG A 93 9.932 -3.350 11.021 1.00 62.12 H new ATOM 0 HE ARG A 93 9.931 -0.603 10.049 1.00 24.54 H new ATOM 0 HH11 ARG A 93 10.369 -2.576 12.961 1.00 60.22 H new ATOM 0 HH12 ARG A 93 11.459 -1.405 13.712 1.00 60.22 H new ATOM 0 HH21 ARG A 93 11.287 0.851 10.995 1.00 61.52 H new ATOM 0 HH22 ARG A 93 11.977 0.540 12.591 1.00 61.52 H new ATOM 1375 N ILE A 94 7.385 -6.598 7.026 1.00 74.25 N ATOM 1376 CA ILE A 94 6.801 -7.896 6.857 1.00 54.34 C ATOM 1377 C ILE A 94 7.786 -8.905 7.390 1.00 61.31 C ATOM 1378 O ILE A 94 8.873 -9.067 6.840 1.00 23.14 O ATOM 1379 CB ILE A 94 6.478 -8.243 5.348 1.00 13.40 C ATOM 1380 CG1 ILE A 94 5.497 -7.235 4.685 1.00 51.14 C ATOM 1381 CG2 ILE A 94 5.919 -9.659 5.220 1.00 71.32 C ATOM 1382 CD1 ILE A 94 6.075 -5.873 4.325 1.00 43.10 C ATOM 0 H ILE A 94 8.281 -6.475 6.554 1.00 74.25 H new ATOM 0 HA ILE A 94 5.851 -7.915 7.392 1.00 54.34 H new ATOM 0 HB ILE A 94 7.427 -8.172 4.817 1.00 13.40 H new ATOM 0 HG12 ILE A 94 5.100 -7.690 3.777 1.00 51.14 H new ATOM 0 HG13 ILE A 94 4.655 -7.082 5.360 1.00 51.14 H new ATOM 0 HG21 ILE A 94 5.705 -9.873 4.173 1.00 71.32 H new ATOM 0 HG22 ILE A 94 6.651 -10.374 5.594 1.00 71.32 H new ATOM 0 HG23 ILE A 94 5.001 -9.742 5.802 1.00 71.32 H new ATOM 0 HD11 ILE A 94 5.299 -5.257 3.870 1.00 43.10 H new ATOM 0 HD12 ILE A 94 6.444 -5.384 5.227 1.00 43.10 H new ATOM 0 HD13 ILE A 94 6.896 -6.001 3.620 1.00 43.10 H new ATOM 1394 N ASN A 95 7.439 -9.557 8.449 1.00 35.11 N ATOM 1395 CA ASN A 95 8.316 -10.530 9.037 1.00 35.12 C ATOM 1396 C ASN A 95 7.541 -11.749 9.411 1.00 60.25 C ATOM 1397 O ASN A 95 6.459 -11.651 9.985 1.00 21.43 O ATOM 1398 CB ASN A 95 9.096 -9.970 10.266 1.00 62.33 C ATOM 1399 CG ASN A 95 8.212 -9.550 11.443 1.00 55.10 C ATOM 1400 OD1 ASN A 95 7.738 -8.417 11.494 1.00 44.21 O ATOM 1401 ND2 ASN A 95 8.037 -10.422 12.421 1.00 63.40 N ATOM 0 H ASN A 95 6.549 -9.437 8.933 1.00 35.11 H new ATOM 0 HA ASN A 95 9.065 -10.791 8.289 1.00 35.12 H new ATOM 0 HB2 ASN A 95 9.800 -10.728 10.609 1.00 62.33 H new ATOM 0 HB3 ASN A 95 9.685 -9.110 9.946 1.00 62.33 H new ATOM 0 HD21 ASN A 95 7.497 -10.162 13.246 1.00 63.40 H new ATOM 0 HD22 ASN A 95 8.442 -11.355 12.351 1.00 63.40 H new ATOM 1408 N GLU A 96 8.064 -12.895 9.006 1.00 64.14 N ATOM 1409 CA GLU A 96 7.519 -14.213 9.348 1.00 32.11 C ATOM 1410 C GLU A 96 6.041 -14.343 8.942 1.00 20.03 C ATOM 1411 O GLU A 96 5.239 -15.002 9.615 1.00 34.12 O ATOM 1412 CB GLU A 96 7.709 -14.427 10.846 1.00 11.34 C ATOM 1413 CG GLU A 96 9.157 -14.254 11.260 1.00 31.14 C ATOM 1414 CD GLU A 96 9.368 -14.344 12.732 1.00 21.41 C ATOM 1415 OE1 GLU A 96 9.234 -13.314 13.423 1.00 50.33 O ATOM 1416 OE2 GLU A 96 9.687 -15.444 13.230 1.00 63.31 O ATOM 0 H GLU A 96 8.896 -12.944 8.418 1.00 64.14 H new ATOM 0 HA GLU A 96 8.051 -14.985 8.792 1.00 32.11 H new ATOM 0 HB2 GLU A 96 7.087 -13.721 11.396 1.00 11.34 H new ATOM 0 HB3 GLU A 96 7.371 -15.427 11.116 1.00 11.34 H new ATOM 0 HG2 GLU A 96 9.761 -15.015 10.767 1.00 31.14 H new ATOM 0 HG3 GLU A 96 9.514 -13.286 10.908 1.00 31.14 H new ATOM 1423 N GLY A 97 5.714 -13.749 7.807 1.00 65.40 N ATOM 1424 CA GLY A 97 4.370 -13.825 7.273 1.00 53.13 C ATOM 1425 C GLY A 97 3.408 -12.838 7.913 1.00 15.21 C ATOM 1426 O GLY A 97 2.215 -12.862 7.622 1.00 71.14 O ATOM 0 H GLY A 97 6.365 -13.208 7.238 1.00 65.40 H new ATOM 0 HA2 GLY A 97 4.403 -13.643 6.199 1.00 53.13 H new ATOM 0 HA3 GLY A 97 3.988 -14.836 7.414 1.00 53.13 H new ATOM 1430 N GLU A 98 3.906 -11.996 8.793 1.00 52.14 N ATOM 1431 CA GLU A 98 3.078 -11.011 9.445 1.00 64.43 C ATOM 1432 C GLU A 98 3.422 -9.630 8.919 1.00 73.25 C ATOM 1433 O GLU A 98 4.595 -9.313 8.698 1.00 61.43 O ATOM 1434 CB GLU A 98 3.226 -11.091 10.965 1.00 61.15 C ATOM 1435 CG GLU A 98 2.970 -12.492 11.502 1.00 5.32 C ATOM 1436 CD GLU A 98 2.842 -12.547 12.995 1.00 15.41 C ATOM 1437 OE1 GLU A 98 3.867 -12.471 13.701 1.00 60.41 O ATOM 1438 OE2 GLU A 98 1.692 -12.701 13.494 1.00 52.01 O ATOM 0 H GLU A 98 4.887 -11.976 9.073 1.00 52.14 H new ATOM 0 HA GLU A 98 2.032 -11.215 9.217 1.00 64.43 H new ATOM 0 HB2 GLU A 98 4.231 -10.775 11.246 1.00 61.15 H new ATOM 0 HB3 GLU A 98 2.530 -10.394 11.432 1.00 61.15 H new ATOM 0 HG2 GLU A 98 2.057 -12.883 11.053 1.00 5.32 H new ATOM 0 HG3 GLU A 98 3.785 -13.146 11.191 1.00 5.32 H new ATOM 1445 N PHE A 99 2.403 -8.833 8.705 1.00 73.31 N ATOM 1446 CA PHE A 99 2.538 -7.531 8.077 1.00 43.55 C ATOM 1447 C PHE A 99 2.172 -6.431 9.066 1.00 34.12 C ATOM 1448 O PHE A 99 1.054 -6.417 9.593 1.00 73.54 O ATOM 1449 CB PHE A 99 1.571 -7.439 6.863 1.00 11.21 C ATOM 1450 CG PHE A 99 1.794 -8.456 5.754 1.00 63.05 C ATOM 1451 CD1 PHE A 99 1.547 -9.811 5.955 1.00 24.15 C ATOM 1452 CD2 PHE A 99 2.250 -8.053 4.516 1.00 25.33 C ATOM 1453 CE1 PHE A 99 1.753 -10.728 4.947 1.00 41.40 C ATOM 1454 CE2 PHE A 99 2.456 -8.970 3.503 1.00 42.22 C ATOM 1455 CZ PHE A 99 2.209 -10.307 3.720 1.00 43.12 C ATOM 0 H PHE A 99 1.445 -9.068 8.963 1.00 73.31 H new ATOM 0 HA PHE A 99 3.571 -7.406 7.752 1.00 43.55 H new ATOM 0 HB2 PHE A 99 0.550 -7.547 7.228 1.00 11.21 H new ATOM 0 HB3 PHE A 99 1.652 -6.440 6.434 1.00 11.21 H new ATOM 0 HD1 PHE A 99 1.188 -10.149 6.916 1.00 24.15 H new ATOM 0 HD2 PHE A 99 2.449 -7.007 4.336 1.00 25.33 H new ATOM 0 HE1 PHE A 99 1.557 -11.776 5.121 1.00 41.40 H new ATOM 0 HE2 PHE A 99 2.812 -8.637 2.539 1.00 42.22 H new ATOM 0 HZ PHE A 99 2.373 -11.023 2.928 1.00 43.12 H new ATOM 1465 N GLU A 100 3.082 -5.527 9.321 1.00 63.22 N ATOM 1466 CA GLU A 100 2.799 -4.400 10.190 1.00 62.40 C ATOM 1467 C GLU A 100 3.072 -3.095 9.448 1.00 25.42 C ATOM 1468 O GLU A 100 3.969 -3.022 8.586 1.00 25.45 O ATOM 1469 CB GLU A 100 3.630 -4.451 11.485 1.00 41.34 C ATOM 1470 CG GLU A 100 5.128 -4.329 11.267 1.00 2.01 C ATOM 1471 CD GLU A 100 5.902 -4.237 12.551 1.00 70.23 C ATOM 1472 OE1 GLU A 100 5.947 -3.151 13.148 1.00 22.44 O ATOM 1473 OE2 GLU A 100 6.489 -5.248 12.984 1.00 1.15 O ATOM 0 H GLU A 100 4.029 -5.544 8.942 1.00 63.22 H new ATOM 0 HA GLU A 100 1.747 -4.452 10.471 1.00 62.40 H new ATOM 0 HB2 GLU A 100 3.303 -3.648 12.145 1.00 41.34 H new ATOM 0 HB3 GLU A 100 3.424 -5.390 11.999 1.00 41.34 H new ATOM 0 HG2 GLU A 100 5.478 -5.191 10.699 1.00 2.01 H new ATOM 0 HG3 GLU A 100 5.331 -3.445 10.663 1.00 2.01 H new ATOM 1480 N VAL A 101 2.292 -2.091 9.744 1.00 3.43 N ATOM 1481 CA VAL A 101 2.471 -0.780 9.166 1.00 51.42 C ATOM 1482 C VAL A 101 2.868 0.163 10.276 1.00 41.34 C ATOM 1483 O VAL A 101 2.166 0.258 11.293 1.00 24.41 O ATOM 1484 CB VAL A 101 1.152 -0.241 8.539 1.00 71.40 C ATOM 1485 CG1 VAL A 101 1.375 1.100 7.843 1.00 33.11 C ATOM 1486 CG2 VAL A 101 0.550 -1.246 7.587 1.00 53.31 C ATOM 0 H VAL A 101 1.510 -2.156 10.395 1.00 3.43 H new ATOM 0 HA VAL A 101 3.227 -0.847 8.384 1.00 51.42 H new ATOM 0 HB VAL A 101 0.444 -0.082 9.353 1.00 71.40 H new ATOM 0 HG11 VAL A 101 0.435 1.449 7.416 1.00 33.11 H new ATOM 0 HG12 VAL A 101 1.738 1.830 8.567 1.00 33.11 H new ATOM 0 HG13 VAL A 101 2.112 0.980 7.049 1.00 33.11 H new ATOM 0 HG21 VAL A 101 -0.370 -0.842 7.165 1.00 53.31 H new ATOM 0 HG22 VAL A 101 1.257 -1.455 6.784 1.00 53.31 H new ATOM 0 HG23 VAL A 101 0.328 -2.168 8.124 1.00 53.31 H new ATOM 1496 N VAL A 102 3.977 0.824 10.116 1.00 15.50 N ATOM 1497 CA VAL A 102 4.423 1.785 11.094 1.00 22.10 C ATOM 1498 C VAL A 102 4.466 3.163 10.444 1.00 65.41 C ATOM 1499 O VAL A 102 5.102 3.348 9.392 1.00 61.21 O ATOM 1500 CB VAL A 102 5.836 1.438 11.651 1.00 24.14 C ATOM 1501 CG1 VAL A 102 6.255 2.422 12.739 1.00 21.13 C ATOM 1502 CG2 VAL A 102 5.883 0.011 12.181 1.00 11.34 C ATOM 0 H VAL A 102 4.596 0.717 9.313 1.00 15.50 H new ATOM 0 HA VAL A 102 3.723 1.768 11.930 1.00 22.10 H new ATOM 0 HB VAL A 102 6.542 1.519 10.825 1.00 24.14 H new ATOM 0 HG11 VAL A 102 7.245 2.155 13.109 1.00 21.13 H new ATOM 0 HG12 VAL A 102 6.281 3.431 12.327 1.00 21.13 H new ATOM 0 HG13 VAL A 102 5.538 2.384 13.559 1.00 21.13 H new ATOM 0 HG21 VAL A 102 6.881 -0.203 12.563 1.00 11.34 H new ATOM 0 HG22 VAL A 102 5.155 -0.103 12.984 1.00 11.34 H new ATOM 0 HG23 VAL A 102 5.646 -0.684 11.376 1.00 11.34 H new ATOM 1512 N ASP A 103 3.780 4.099 11.037 1.00 42.44 N ATOM 1513 CA ASP A 103 3.743 5.467 10.558 1.00 40.24 C ATOM 1514 C ASP A 103 4.970 6.170 11.050 1.00 24.31 C ATOM 1515 O ASP A 103 5.224 6.233 12.260 1.00 34.02 O ATOM 1516 CB ASP A 103 2.491 6.192 11.085 1.00 31.41 C ATOM 1517 CG ASP A 103 2.379 7.655 10.639 1.00 2.33 C ATOM 1518 OD1 ASP A 103 3.013 8.044 9.649 1.00 64.12 O ATOM 1519 OD2 ASP A 103 1.598 8.420 11.261 1.00 52.40 O ATOM 0 H ASP A 103 3.222 3.940 11.876 1.00 42.44 H new ATOM 0 HA ASP A 103 3.708 5.470 9.469 1.00 40.24 H new ATOM 0 HB2 ASP A 103 1.605 5.653 10.751 1.00 31.41 H new ATOM 0 HB3 ASP A 103 2.495 6.155 12.174 1.00 31.41 H new ATOM 1524 N VAL A 104 5.731 6.675 10.144 1.00 24.44 N ATOM 1525 CA VAL A 104 6.943 7.360 10.480 1.00 61.03 C ATOM 1526 C VAL A 104 6.878 8.806 10.057 1.00 24.24 C ATOM 1527 O VAL A 104 7.682 9.625 10.478 1.00 62.44 O ATOM 1528 CB VAL A 104 8.206 6.653 9.928 1.00 2.52 C ATOM 1529 CG1 VAL A 104 8.476 5.383 10.719 1.00 60.03 C ATOM 1530 CG2 VAL A 104 8.028 6.305 8.462 1.00 5.30 C ATOM 0 H VAL A 104 5.536 6.628 9.144 1.00 24.44 H new ATOM 0 HA VAL A 104 7.035 7.330 11.566 1.00 61.03 H new ATOM 0 HB VAL A 104 9.051 7.334 10.028 1.00 2.52 H new ATOM 0 HG11 VAL A 104 9.365 4.891 10.325 1.00 60.03 H new ATOM 0 HG12 VAL A 104 8.635 5.634 11.768 1.00 60.03 H new ATOM 0 HG13 VAL A 104 7.622 4.712 10.632 1.00 60.03 H new ATOM 0 HG21 VAL A 104 8.926 5.809 8.094 1.00 5.30 H new ATOM 0 HG22 VAL A 104 7.173 5.639 8.347 1.00 5.30 H new ATOM 0 HG23 VAL A 104 7.857 7.217 7.890 1.00 5.30 H new ATOM 1540 N GLY A 105 5.878 9.122 9.279 1.00 21.53 N ATOM 1541 CA GLY A 105 5.658 10.457 8.834 1.00 51.23 C ATOM 1542 C GLY A 105 4.463 10.996 9.538 1.00 1.43 C ATOM 1543 O GLY A 105 3.593 11.641 8.935 1.00 51.12 O ATOM 0 H GLY A 105 5.192 8.449 8.938 1.00 21.53 H new ATOM 0 HA2 GLY A 105 6.531 11.075 9.042 1.00 51.23 H new ATOM 0 HA3 GLY A 105 5.503 10.477 7.755 1.00 51.23 H new ATOM 1547 N SER A 106 4.456 10.780 10.840 1.00 33.31 N ATOM 1548 CA SER A 106 3.355 11.095 11.722 1.00 43.14 C ATOM 1549 C SER A 106 3.079 12.599 11.838 1.00 51.04 C ATOM 1550 O SER A 106 2.138 13.022 12.511 1.00 65.41 O ATOM 1551 CB SER A 106 3.618 10.451 13.079 1.00 33.21 C ATOM 1552 OG SER A 106 4.942 10.741 13.526 1.00 71.34 O ATOM 0 H SER A 106 5.249 10.364 11.328 1.00 33.31 H new ATOM 0 HA SER A 106 2.442 10.683 11.292 1.00 43.14 H new ATOM 0 HB2 SER A 106 2.894 10.817 13.807 1.00 33.21 H new ATOM 0 HB3 SER A 106 3.481 9.372 13.008 1.00 33.21 H new ATOM 0 HG SER A 106 5.092 10.321 14.399 1.00 71.34 H new ATOM 1558 N LEU A 107 3.903 13.399 11.186 1.00 40.45 N ATOM 1559 CA LEU A 107 3.675 14.820 11.109 1.00 12.14 C ATOM 1560 C LEU A 107 2.540 15.090 10.123 1.00 40.01 C ATOM 1561 O LEU A 107 1.842 16.099 10.225 1.00 13.20 O ATOM 1562 CB LEU A 107 4.949 15.561 10.697 1.00 2.41 C ATOM 1563 CG LEU A 107 6.141 15.437 11.654 1.00 24.21 C ATOM 1564 CD1 LEU A 107 7.327 16.214 11.123 1.00 31.32 C ATOM 1565 CD2 LEU A 107 5.775 15.926 13.049 1.00 1.22 C ATOM 0 H LEU A 107 4.741 13.080 10.700 1.00 40.45 H new ATOM 0 HA LEU A 107 3.392 15.192 12.094 1.00 12.14 H new ATOM 0 HB2 LEU A 107 5.256 15.196 9.717 1.00 2.41 H new ATOM 0 HB3 LEU A 107 4.709 16.618 10.583 1.00 2.41 H new ATOM 0 HG LEU A 107 6.411 14.383 11.722 1.00 24.21 H new ATOM 0 HD11 LEU A 107 8.165 16.116 11.813 1.00 31.32 H new ATOM 0 HD12 LEU A 107 7.613 15.820 10.148 1.00 31.32 H new ATOM 0 HD13 LEU A 107 7.059 17.266 11.025 1.00 31.32 H new ATOM 0 HD21 LEU A 107 6.638 15.827 13.707 1.00 1.22 H new ATOM 0 HD22 LEU A 107 5.474 16.972 13.000 1.00 1.22 H new ATOM 0 HD23 LEU A 107 4.951 15.329 13.439 1.00 1.22 H new ATOM 1577 N ASN A 108 2.363 14.177 9.163 1.00 13.40 N ATOM 1578 CA ASN A 108 1.235 14.265 8.240 1.00 0.41 C ATOM 1579 C ASN A 108 0.216 13.217 8.617 1.00 43.35 C ATOM 1580 O ASN A 108 -0.979 13.375 8.355 1.00 71.24 O ATOM 1581 CB ASN A 108 1.682 14.031 6.784 1.00 31.50 C ATOM 1582 CG ASN A 108 2.550 15.140 6.237 1.00 13.41 C ATOM 1583 OD1 ASN A 108 2.411 16.295 6.618 1.00 21.03 O ATOM 1584 ND2 ASN A 108 3.444 14.807 5.334 1.00 23.23 N ATOM 0 H ASN A 108 2.980 13.379 9.008 1.00 13.40 H new ATOM 0 HA ASN A 108 0.807 15.265 8.310 1.00 0.41 H new ATOM 0 HB2 ASN A 108 2.229 13.090 6.726 1.00 31.50 H new ATOM 0 HB3 ASN A 108 0.799 13.926 6.153 1.00 31.50 H new ATOM 0 HD21 ASN A 108 4.049 15.521 4.928 1.00 23.23 H new ATOM 0 HD22 ASN A 108 3.533 13.835 5.039 1.00 23.23 H new ATOM 1591 N GLY A 109 0.691 12.197 9.329 1.00 62.33 N ATOM 1592 CA GLY A 109 -0.163 11.153 9.837 1.00 42.33 C ATOM 1593 C GLY A 109 -0.550 10.110 8.800 1.00 10.23 C ATOM 1594 O GLY A 109 -1.098 10.437 7.750 1.00 32.51 O ATOM 0 H GLY A 109 1.677 12.081 9.563 1.00 62.33 H new ATOM 0 HA2 GLY A 109 0.341 10.656 10.666 1.00 42.33 H new ATOM 0 HA3 GLY A 109 -1.070 11.604 10.240 1.00 42.33 H new ATOM 1598 N THR A 110 -0.186 8.886 9.041 1.00 12.54 N ATOM 1599 CA THR A 110 -0.676 7.791 8.238 1.00 21.24 C ATOM 1600 C THR A 110 -2.017 7.317 8.842 1.00 52.13 C ATOM 1601 O THR A 110 -2.172 7.262 10.089 1.00 3.44 O ATOM 1602 CB THR A 110 0.355 6.634 8.169 1.00 0.30 C ATOM 1603 OG1 THR A 110 1.577 7.122 7.595 1.00 33.12 O ATOM 1604 CG2 THR A 110 -0.161 5.470 7.324 1.00 22.12 C ATOM 0 H THR A 110 0.451 8.614 9.789 1.00 12.54 H new ATOM 0 HA THR A 110 -0.831 8.125 7.212 1.00 21.24 H new ATOM 0 HB THR A 110 0.524 6.272 9.183 1.00 0.30 H new ATOM 0 HG1 THR A 110 1.995 7.761 8.210 1.00 33.12 H new ATOM 0 HG21 THR A 110 0.588 4.679 7.299 1.00 22.12 H new ATOM 0 HG22 THR A 110 -1.082 5.084 7.760 1.00 22.12 H new ATOM 0 HG23 THR A 110 -0.358 5.816 6.309 1.00 22.12 H new ATOM 1612 N TYR A 111 -2.991 7.026 7.993 1.00 33.15 N ATOM 1613 CA TYR A 111 -4.296 6.638 8.464 1.00 30.34 C ATOM 1614 C TYR A 111 -4.625 5.246 7.981 1.00 70.31 C ATOM 1615 O TYR A 111 -4.504 4.945 6.795 1.00 62.22 O ATOM 1616 CB TYR A 111 -5.364 7.632 7.975 1.00 13.34 C ATOM 1617 CG TYR A 111 -5.110 9.066 8.387 1.00 75.43 C ATOM 1618 CD1 TYR A 111 -5.530 9.542 9.614 1.00 4.24 C ATOM 1619 CD2 TYR A 111 -4.428 9.937 7.547 1.00 2.01 C ATOM 1620 CE1 TYR A 111 -5.283 10.845 9.996 1.00 24.33 C ATOM 1621 CE2 TYR A 111 -4.173 11.239 7.923 1.00 61.50 C ATOM 1622 CZ TYR A 111 -4.602 11.686 9.150 1.00 44.43 C ATOM 1623 OH TYR A 111 -4.347 12.981 9.536 1.00 55.24 O ATOM 0 H TYR A 111 -2.895 7.053 6.978 1.00 33.15 H new ATOM 0 HA TYR A 111 -4.289 6.646 9.554 1.00 30.34 H new ATOM 0 HB2 TYR A 111 -5.420 7.582 6.888 1.00 13.34 H new ATOM 0 HB3 TYR A 111 -6.336 7.322 8.359 1.00 13.34 H new ATOM 0 HD1 TYR A 111 -6.061 8.883 10.286 1.00 4.24 H new ATOM 0 HD2 TYR A 111 -4.091 9.588 6.582 1.00 2.01 H new ATOM 0 HE1 TYR A 111 -5.624 11.202 10.957 1.00 24.33 H new ATOM 0 HE2 TYR A 111 -3.640 11.903 7.258 1.00 61.50 H new ATOM 0 HH TYR A 111 -3.856 13.444 8.825 1.00 55.24 H new ATOM 1633 N VAL A 112 -5.028 4.407 8.886 1.00 53.04 N ATOM 1634 CA VAL A 112 -5.411 3.050 8.572 1.00 24.13 C ATOM 1635 C VAL A 112 -6.888 2.937 8.881 1.00 33.23 C ATOM 1636 O VAL A 112 -7.304 3.217 9.997 1.00 53.43 O ATOM 1637 CB VAL A 112 -4.616 2.009 9.420 1.00 70.51 C ATOM 1638 CG1 VAL A 112 -5.035 0.584 9.071 1.00 72.13 C ATOM 1639 CG2 VAL A 112 -3.111 2.178 9.231 1.00 53.04 C ATOM 0 H VAL A 112 -5.104 4.641 9.876 1.00 53.04 H new ATOM 0 HA VAL A 112 -5.193 2.836 7.526 1.00 24.13 H new ATOM 0 HB VAL A 112 -4.852 2.192 10.468 1.00 70.51 H new ATOM 0 HG11 VAL A 112 -4.466 -0.121 9.676 1.00 72.13 H new ATOM 0 HG12 VAL A 112 -6.099 0.458 9.272 1.00 72.13 H new ATOM 0 HG13 VAL A 112 -4.840 0.396 8.015 1.00 72.13 H new ATOM 0 HG21 VAL A 112 -2.583 1.439 9.834 1.00 53.04 H new ATOM 0 HG22 VAL A 112 -2.858 2.036 8.180 1.00 53.04 H new ATOM 0 HG23 VAL A 112 -2.815 3.179 9.544 1.00 53.04 H new ATOM 1649 N ASN A 113 -7.666 2.600 7.872 1.00 31.21 N ATOM 1650 CA ASN A 113 -9.134 2.513 7.942 1.00 64.30 C ATOM 1651 C ASN A 113 -9.730 3.817 8.407 1.00 74.33 C ATOM 1652 O ASN A 113 -10.754 3.842 9.103 1.00 33.41 O ATOM 1653 CB ASN A 113 -9.603 1.332 8.818 1.00 64.14 C ATOM 1654 CG ASN A 113 -9.388 0.000 8.139 1.00 43.11 C ATOM 1655 OD1 ASN A 113 -9.433 -0.091 6.915 1.00 14.41 O ATOM 1656 ND2 ASN A 113 -9.166 -1.034 8.906 1.00 41.35 N ATOM 0 H ASN A 113 -7.297 2.370 6.949 1.00 31.21 H new ATOM 0 HA ASN A 113 -9.497 2.319 6.933 1.00 64.30 H new ATOM 0 HB2 ASN A 113 -9.063 1.347 9.765 1.00 64.14 H new ATOM 0 HB3 ASN A 113 -10.661 1.453 9.052 1.00 64.14 H new ATOM 0 HD21 ASN A 113 -9.023 -1.955 8.492 1.00 41.35 H new ATOM 0 HD22 ASN A 113 -9.136 -0.920 9.919 1.00 41.35 H new ATOM 1663 N ARG A 114 -9.108 4.913 7.925 1.00 41.10 N ATOM 1664 CA ARG A 114 -9.525 6.290 8.212 1.00 5.00 C ATOM 1665 C ARG A 114 -9.350 6.665 9.679 1.00 53.41 C ATOM 1666 O ARG A 114 -9.938 7.635 10.166 1.00 74.34 O ATOM 1667 CB ARG A 114 -10.941 6.540 7.699 1.00 11.10 C ATOM 1668 CG ARG A 114 -10.994 6.629 6.188 1.00 70.12 C ATOM 1669 CD ARG A 114 -12.392 6.431 5.651 1.00 31.44 C ATOM 1670 NE ARG A 114 -12.865 5.046 5.850 1.00 63.52 N ATOM 1671 CZ ARG A 114 -12.694 4.044 4.959 1.00 72.41 C ATOM 1672 NH1 ARG A 114 -12.046 4.275 3.826 1.00 71.44 N ATOM 1673 NH2 ARG A 114 -13.188 2.827 5.190 1.00 31.23 N ATOM 0 H ARG A 114 -8.291 4.859 7.317 1.00 41.10 H new ATOM 0 HA ARG A 114 -8.857 6.958 7.668 1.00 5.00 H new ATOM 0 HB2 ARG A 114 -11.595 5.737 8.037 1.00 11.10 H new ATOM 0 HB3 ARG A 114 -11.324 7.465 8.130 1.00 11.10 H new ATOM 0 HG2 ARG A 114 -10.619 7.602 5.870 1.00 70.12 H new ATOM 0 HG3 ARG A 114 -10.332 5.877 5.758 1.00 70.12 H new ATOM 0 HD2 ARG A 114 -13.073 7.122 6.147 1.00 31.44 H new ATOM 0 HD3 ARG A 114 -12.411 6.672 4.588 1.00 31.44 H new ATOM 0 HE ARG A 114 -13.354 4.831 6.719 1.00 63.52 H new ATOM 0 HH11 ARG A 114 -11.679 5.206 3.629 1.00 71.44 H new ATOM 0 HH12 ARG A 114 -11.915 3.522 3.151 1.00 71.44 H new ATOM 0 HH21 ARG A 114 -13.704 2.641 6.050 1.00 31.23 H new ATOM 0 HH22 ARG A 114 -13.050 2.082 4.507 1.00 31.23 H new ATOM 1687 N GLU A 115 -8.519 5.917 10.368 1.00 42.25 N ATOM 1688 CA GLU A 115 -8.185 6.211 11.728 1.00 64.11 C ATOM 1689 C GLU A 115 -6.703 6.522 11.796 1.00 2.24 C ATOM 1690 O GLU A 115 -5.892 5.811 11.176 1.00 3.22 O ATOM 1691 CB GLU A 115 -8.486 5.023 12.638 1.00 40.54 C ATOM 1692 CG GLU A 115 -9.900 4.506 12.536 1.00 61.15 C ATOM 1693 CD GLU A 115 -10.209 3.481 13.585 1.00 35.21 C ATOM 1694 OE1 GLU A 115 -9.736 2.322 13.480 1.00 11.55 O ATOM 1695 OE2 GLU A 115 -10.943 3.808 14.545 1.00 73.43 O ATOM 0 H GLU A 115 -8.059 5.087 9.993 1.00 42.25 H new ATOM 0 HA GLU A 115 -8.781 7.059 12.065 1.00 64.11 H new ATOM 0 HB2 GLU A 115 -7.797 4.213 12.398 1.00 40.54 H new ATOM 0 HB3 GLU A 115 -8.291 5.312 13.671 1.00 40.54 H new ATOM 0 HG2 GLU A 115 -10.597 5.339 12.629 1.00 61.15 H new ATOM 0 HG3 GLU A 115 -10.055 4.070 11.549 1.00 61.15 H new ATOM 1702 N PRO A 116 -6.316 7.601 12.480 1.00 12.43 N ATOM 1703 CA PRO A 116 -4.908 7.914 12.677 1.00 61.44 C ATOM 1704 C PRO A 116 -4.279 6.865 13.580 1.00 63.35 C ATOM 1705 O PRO A 116 -4.760 6.616 14.690 1.00 64.35 O ATOM 1706 CB PRO A 116 -4.924 9.289 13.363 1.00 41.13 C ATOM 1707 CG PRO A 116 -6.285 9.416 13.959 1.00 61.03 C ATOM 1708 CD PRO A 116 -7.208 8.599 13.101 1.00 64.43 C ATOM 0 HA PRO A 116 -4.332 7.924 11.752 1.00 61.44 H new ATOM 0 HB2 PRO A 116 -4.151 9.355 14.129 1.00 41.13 H new ATOM 0 HB3 PRO A 116 -4.732 10.088 12.647 1.00 41.13 H new ATOM 0 HG2 PRO A 116 -6.292 9.056 14.988 1.00 61.03 H new ATOM 0 HG3 PRO A 116 -6.601 10.459 13.984 1.00 61.03 H new ATOM 0 HD2 PRO A 116 -7.990 8.124 13.694 1.00 64.43 H new ATOM 0 HD3 PRO A 116 -7.706 9.213 12.351 1.00 64.43 H new ATOM 1716 N ARG A 117 -3.244 6.232 13.109 1.00 41.31 N ATOM 1717 CA ARG A 117 -2.636 5.180 13.861 1.00 50.35 C ATOM 1718 C ARG A 117 -1.142 5.225 13.615 1.00 42.13 C ATOM 1719 O ARG A 117 -0.718 5.456 12.490 1.00 33.23 O ATOM 1720 CB ARG A 117 -3.221 3.833 13.410 1.00 72.11 C ATOM 1721 CG ARG A 117 -3.014 2.694 14.390 1.00 75.50 C ATOM 1722 CD ARG A 117 -3.818 2.904 15.674 1.00 53.23 C ATOM 1723 NE ARG A 117 -5.273 2.934 15.422 1.00 34.20 N ATOM 1724 CZ ARG A 117 -6.180 3.568 16.186 1.00 32.54 C ATOM 1725 NH1 ARG A 117 -5.807 4.239 17.270 1.00 52.42 N ATOM 1726 NH2 ARG A 117 -7.466 3.513 15.861 1.00 12.41 N ATOM 0 H ARG A 117 -2.806 6.427 12.209 1.00 41.31 H new ATOM 0 HA ARG A 117 -2.831 5.300 14.927 1.00 50.35 H new ATOM 0 HB2 ARG A 117 -4.290 3.956 13.237 1.00 72.11 H new ATOM 0 HB3 ARG A 117 -2.773 3.559 12.455 1.00 72.11 H new ATOM 0 HG2 ARG A 117 -3.310 1.754 13.924 1.00 75.50 H new ATOM 0 HG3 ARG A 117 -1.955 2.610 14.633 1.00 75.50 H new ATOM 0 HD2 ARG A 117 -3.589 2.105 16.379 1.00 53.23 H new ATOM 0 HD3 ARG A 117 -3.513 3.839 16.143 1.00 53.23 H new ATOM 0 HE ARG A 117 -5.618 2.434 14.603 1.00 34.20 H new ATOM 0 HH11 ARG A 117 -4.822 4.278 17.532 1.00 52.42 H new ATOM 0 HH12 ARG A 117 -6.506 4.715 17.840 1.00 52.42 H new ATOM 0 HH21 ARG A 117 -7.762 2.992 15.036 1.00 12.41 H new ATOM 0 HH22 ARG A 117 -8.158 3.992 16.437 1.00 12.41 H new ATOM 1740 N ASN A 118 -0.363 5.031 14.654 1.00 50.12 N ATOM 1741 CA ASN A 118 1.096 5.090 14.544 1.00 25.12 C ATOM 1742 C ASN A 118 1.647 3.749 14.132 1.00 4.54 C ATOM 1743 O ASN A 118 2.598 3.665 13.387 1.00 33.51 O ATOM 1744 CB ASN A 118 1.745 5.497 15.868 1.00 60.55 C ATOM 1745 CG ASN A 118 1.340 6.867 16.368 1.00 12.42 C ATOM 1746 OD1 ASN A 118 1.058 7.787 15.594 1.00 75.24 O ATOM 1747 ND2 ASN A 118 1.310 7.015 17.660 1.00 23.25 N ATOM 0 H ASN A 118 -0.707 4.830 15.593 1.00 50.12 H new ATOM 0 HA ASN A 118 1.330 5.841 13.789 1.00 25.12 H new ATOM 0 HB2 ASN A 118 1.490 4.757 16.626 1.00 60.55 H new ATOM 0 HB3 ASN A 118 2.828 5.472 15.750 1.00 60.55 H new ATOM 0 HD21 ASN A 118 1.047 7.914 18.064 1.00 23.25 H new ATOM 0 HD22 ASN A 118 1.549 6.232 18.269 1.00 23.25 H new ATOM 1754 N ALA A 119 1.063 2.705 14.640 1.00 64.12 N ATOM 1755 CA ALA A 119 1.466 1.365 14.302 1.00 4.53 C ATOM 1756 C ALA A 119 0.239 0.502 14.273 1.00 53.21 C ATOM 1757 O ALA A 119 -0.623 0.620 15.153 1.00 72.12 O ATOM 1758 CB ALA A 119 2.472 0.829 15.317 1.00 14.40 C ATOM 0 H ALA A 119 0.290 2.755 15.304 1.00 64.12 H new ATOM 0 HA ALA A 119 1.952 1.360 13.326 1.00 4.53 H new ATOM 0 HB1 ALA A 119 2.762 -0.185 15.041 1.00 14.40 H new ATOM 0 HB2 ALA A 119 3.354 1.469 15.327 1.00 14.40 H new ATOM 0 HB3 ALA A 119 2.019 0.820 16.308 1.00 14.40 H new ATOM 1764 N GLN A 120 0.130 -0.331 13.285 1.00 55.01 N ATOM 1765 CA GLN A 120 -1.028 -1.183 13.157 1.00 51.23 C ATOM 1766 C GLN A 120 -0.601 -2.476 12.481 1.00 14.41 C ATOM 1767 O GLN A 120 0.265 -2.461 11.606 1.00 62.41 O ATOM 1768 CB GLN A 120 -2.104 -0.460 12.302 1.00 30.43 C ATOM 1769 CG GLN A 120 -3.564 -0.652 12.761 1.00 4.01 C ATOM 1770 CD GLN A 120 -4.027 -2.086 12.775 1.00 2.25 C ATOM 1771 OE1 GLN A 120 -3.893 -2.784 13.785 1.00 63.23 O ATOM 1772 NE2 GLN A 120 -4.577 -2.538 11.686 1.00 15.41 N ATOM 0 H GLN A 120 0.827 -0.445 12.549 1.00 55.01 H new ATOM 0 HA GLN A 120 -1.450 -1.405 14.137 1.00 51.23 H new ATOM 0 HB2 GLN A 120 -1.881 0.607 12.298 1.00 30.43 H new ATOM 0 HB3 GLN A 120 -2.018 -0.808 11.273 1.00 30.43 H new ATOM 0 HG2 GLN A 120 -3.675 -0.237 13.763 1.00 4.01 H new ATOM 0 HG3 GLN A 120 -4.217 -0.078 12.104 1.00 4.01 H new ATOM 0 HE21 GLN A 120 -4.670 -1.931 10.872 1.00 15.41 H new ATOM 0 HE22 GLN A 120 -4.915 -3.500 11.647 1.00 15.41 H new ATOM 1781 N VAL A 121 -1.173 -3.574 12.896 1.00 24.54 N ATOM 1782 CA VAL A 121 -0.907 -4.853 12.278 1.00 3.52 C ATOM 1783 C VAL A 121 -1.901 -4.969 11.149 1.00 44.04 C ATOM 1784 O VAL A 121 -3.104 -4.879 11.380 1.00 42.41 O ATOM 1785 CB VAL A 121 -1.082 -6.020 13.284 1.00 64.34 C ATOM 1786 CG1 VAL A 121 -0.805 -7.357 12.619 1.00 61.10 C ATOM 1787 CG2 VAL A 121 -0.163 -5.827 14.484 1.00 25.03 C ATOM 0 H VAL A 121 -1.836 -3.612 13.670 1.00 24.54 H new ATOM 0 HA VAL A 121 0.122 -4.913 11.925 1.00 3.52 H new ATOM 0 HB VAL A 121 -2.116 -6.019 13.628 1.00 64.34 H new ATOM 0 HG11 VAL A 121 -0.935 -8.159 13.346 1.00 61.10 H new ATOM 0 HG12 VAL A 121 -1.499 -7.502 11.791 1.00 61.10 H new ATOM 0 HG13 VAL A 121 0.218 -7.371 12.242 1.00 61.10 H new ATOM 0 HG21 VAL A 121 -0.297 -6.654 15.182 1.00 25.03 H new ATOM 0 HG22 VAL A 121 0.874 -5.800 14.148 1.00 25.03 H new ATOM 0 HG23 VAL A 121 -0.407 -4.889 14.982 1.00 25.03 H new ATOM 1797 N MET A 122 -1.436 -5.219 9.971 1.00 33.44 N ATOM 1798 CA MET A 122 -2.247 -5.020 8.831 1.00 32.44 C ATOM 1799 C MET A 122 -3.085 -6.227 8.472 1.00 13.13 C ATOM 1800 O MET A 122 -2.594 -7.360 8.385 1.00 54.15 O ATOM 1801 CB MET A 122 -1.366 -4.626 7.675 1.00 50.31 C ATOM 1802 CG MET A 122 -2.097 -3.804 6.691 1.00 33.33 C ATOM 1803 SD MET A 122 -2.760 -2.344 7.482 1.00 51.11 S ATOM 1804 CE MET A 122 -3.583 -1.652 6.110 1.00 73.54 C ATOM 0 H MET A 122 -0.495 -5.562 9.779 1.00 33.44 H new ATOM 0 HA MET A 122 -2.956 -4.226 9.064 1.00 32.44 H new ATOM 0 HB2 MET A 122 -0.505 -4.070 8.046 1.00 50.31 H new ATOM 0 HB3 MET A 122 -0.982 -5.522 7.188 1.00 50.31 H new ATOM 0 HG2 MET A 122 -1.430 -3.516 5.879 1.00 33.33 H new ATOM 0 HG3 MET A 122 -2.905 -4.386 6.248 1.00 33.33 H new ATOM 0 HE1 MET A 122 -4.385 -1.001 6.457 1.00 73.54 H new ATOM 0 HE2 MET A 122 -2.876 -1.072 5.516 1.00 73.54 H new ATOM 0 HE3 MET A 122 -4.003 -2.450 5.497 1.00 73.54 H new ATOM 1814 N GLN A 123 -4.352 -5.956 8.269 1.00 33.51 N ATOM 1815 CA GLN A 123 -5.348 -6.902 7.931 1.00 55.25 C ATOM 1816 C GLN A 123 -5.751 -6.719 6.467 1.00 52.01 C ATOM 1817 O GLN A 123 -5.785 -5.601 5.960 1.00 21.12 O ATOM 1818 CB GLN A 123 -6.530 -6.648 8.866 1.00 20.03 C ATOM 1819 CG GLN A 123 -7.840 -7.237 8.440 1.00 21.43 C ATOM 1820 CD GLN A 123 -8.961 -6.875 9.385 1.00 63.33 C ATOM 1821 OE1 GLN A 123 -9.258 -7.603 10.327 1.00 65.12 O ATOM 1822 NE2 GLN A 123 -9.536 -5.713 9.202 1.00 2.53 N ATOM 0 H GLN A 123 -4.721 -5.008 8.344 1.00 33.51 H new ATOM 0 HA GLN A 123 -4.991 -7.926 8.045 1.00 55.25 H new ATOM 0 HB2 GLN A 123 -6.280 -7.042 9.851 1.00 20.03 H new ATOM 0 HB3 GLN A 123 -6.657 -5.571 8.976 1.00 20.03 H new ATOM 0 HG2 GLN A 123 -8.085 -6.887 7.437 1.00 21.43 H new ATOM 0 HG3 GLN A 123 -7.748 -8.322 8.386 1.00 21.43 H new ATOM 0 HE21 GLN A 123 -9.267 -5.130 8.409 1.00 2.53 H new ATOM 0 HE22 GLN A 123 -10.253 -5.390 9.852 1.00 2.53 H new ATOM 1831 N THR A 124 -5.995 -7.812 5.786 1.00 3.12 N ATOM 1832 CA THR A 124 -6.481 -7.761 4.429 1.00 73.55 C ATOM 1833 C THR A 124 -7.899 -7.178 4.427 1.00 14.24 C ATOM 1834 O THR A 124 -8.730 -7.548 5.249 1.00 75.41 O ATOM 1835 CB THR A 124 -6.414 -9.170 3.738 1.00 2.34 C ATOM 1836 OG1 THR A 124 -7.104 -9.187 2.475 1.00 31.45 O ATOM 1837 CG2 THR A 124 -6.953 -10.265 4.632 1.00 61.42 C ATOM 0 H THR A 124 -5.864 -8.755 6.153 1.00 3.12 H new ATOM 0 HA THR A 124 -5.837 -7.109 3.839 1.00 73.55 H new ATOM 0 HB THR A 124 -5.357 -9.364 3.554 1.00 2.34 H new ATOM 0 HG1 THR A 124 -7.317 -10.112 2.231 1.00 31.45 H new ATOM 0 HG21 THR A 124 -6.888 -11.222 4.115 1.00 61.42 H new ATOM 0 HG22 THR A 124 -6.366 -10.308 5.549 1.00 61.42 H new ATOM 0 HG23 THR A 124 -7.994 -10.055 4.877 1.00 61.42 H new ATOM 1845 N GLY A 125 -8.144 -6.252 3.538 1.00 62.43 N ATOM 1846 CA GLY A 125 -9.421 -5.593 3.477 1.00 23.41 C ATOM 1847 C GLY A 125 -9.375 -4.232 4.143 1.00 34.01 C ATOM 1848 O GLY A 125 -10.377 -3.481 4.127 1.00 43.11 O ATOM 0 H GLY A 125 -7.470 -5.935 2.841 1.00 62.43 H new ATOM 0 HA2 GLY A 125 -9.724 -5.480 2.436 1.00 23.41 H new ATOM 0 HA3 GLY A 125 -10.175 -6.212 3.963 1.00 23.41 H new ATOM 1852 N ASP A 126 -8.221 -3.903 4.706 1.00 61.30 N ATOM 1853 CA ASP A 126 -8.009 -2.604 5.328 1.00 2.31 C ATOM 1854 C ASP A 126 -7.654 -1.571 4.283 1.00 21.24 C ATOM 1855 O ASP A 126 -7.063 -1.887 3.233 1.00 24.35 O ATOM 1856 CB ASP A 126 -6.902 -2.625 6.397 1.00 53.54 C ATOM 1857 CG ASP A 126 -7.270 -3.302 7.699 1.00 25.24 C ATOM 1858 OD1 ASP A 126 -8.477 -3.519 7.963 1.00 4.31 O ATOM 1859 OD2 ASP A 126 -6.355 -3.573 8.522 1.00 5.01 O ATOM 0 H ASP A 126 -7.412 -4.523 4.745 1.00 61.30 H new ATOM 0 HA ASP A 126 -8.947 -2.346 5.820 1.00 2.31 H new ATOM 0 HB2 ASP A 126 -6.028 -3.126 5.981 1.00 53.54 H new ATOM 0 HB3 ASP A 126 -6.608 -1.598 6.612 1.00 53.54 H new ATOM 1864 N GLU A 127 -7.997 -0.350 4.564 1.00 74.21 N ATOM 1865 CA GLU A 127 -7.735 0.752 3.678 1.00 54.30 C ATOM 1866 C GLU A 127 -6.711 1.673 4.299 1.00 31.13 C ATOM 1867 O GLU A 127 -6.835 2.062 5.443 1.00 34.24 O ATOM 1868 CB GLU A 127 -9.020 1.522 3.415 1.00 75.53 C ATOM 1869 CG GLU A 127 -10.094 0.702 2.737 1.00 5.24 C ATOM 1870 CD GLU A 127 -11.379 1.453 2.600 1.00 12.04 C ATOM 1871 OE1 GLU A 127 -11.430 2.441 1.855 1.00 50.02 O ATOM 1872 OE2 GLU A 127 -12.365 1.109 3.271 1.00 52.34 O ATOM 0 H GLU A 127 -8.473 -0.084 5.426 1.00 74.21 H new ATOM 0 HA GLU A 127 -7.349 0.366 2.734 1.00 54.30 H new ATOM 0 HB2 GLU A 127 -9.407 1.899 4.362 1.00 75.53 H new ATOM 0 HB3 GLU A 127 -8.793 2.389 2.795 1.00 75.53 H new ATOM 0 HG2 GLU A 127 -9.747 0.397 1.750 1.00 5.24 H new ATOM 0 HG3 GLU A 127 -10.268 -0.209 3.309 1.00 5.24 H new ATOM 1879 N ILE A 128 -5.731 2.026 3.553 1.00 21.21 N ATOM 1880 CA ILE A 128 -4.688 2.899 4.013 1.00 52.43 C ATOM 1881 C ILE A 128 -4.902 4.223 3.328 1.00 45.05 C ATOM 1882 O ILE A 128 -5.135 4.273 2.116 1.00 4.44 O ATOM 1883 CB ILE A 128 -3.288 2.385 3.584 1.00 24.30 C ATOM 1884 CG1 ILE A 128 -3.145 0.891 3.857 1.00 62.22 C ATOM 1885 CG2 ILE A 128 -2.196 3.158 4.326 1.00 73.44 C ATOM 1886 CD1 ILE A 128 -1.865 0.287 3.316 1.00 62.21 C ATOM 0 H ILE A 128 -5.618 1.718 2.587 1.00 21.21 H new ATOM 0 HA ILE A 128 -4.723 2.961 5.101 1.00 52.43 H new ATOM 0 HB ILE A 128 -3.180 2.548 2.512 1.00 24.30 H new ATOM 0 HG12 ILE A 128 -3.188 0.723 4.933 1.00 62.22 H new ATOM 0 HG13 ILE A 128 -3.995 0.369 3.418 1.00 62.22 H new ATOM 0 HG21 ILE A 128 -1.217 2.790 4.018 1.00 73.44 H new ATOM 0 HG22 ILE A 128 -2.276 4.219 4.089 1.00 73.44 H new ATOM 0 HG23 ILE A 128 -2.316 3.016 5.400 1.00 73.44 H new ATOM 0 HD11 ILE A 128 -1.838 -0.777 3.550 1.00 62.21 H new ATOM 0 HD12 ILE A 128 -1.828 0.422 2.235 1.00 62.21 H new ATOM 0 HD13 ILE A 128 -1.008 0.781 3.773 1.00 62.21 H new ATOM 1898 N GLN A 129 -4.876 5.259 4.070 1.00 72.01 N ATOM 1899 CA GLN A 129 -4.985 6.557 3.519 1.00 32.33 C ATOM 1900 C GLN A 129 -3.671 7.263 3.713 1.00 4.31 C ATOM 1901 O GLN A 129 -3.195 7.441 4.846 1.00 25.13 O ATOM 1902 CB GLN A 129 -6.173 7.312 4.118 1.00 73.14 C ATOM 1903 CG GLN A 129 -6.287 8.766 3.695 1.00 22.32 C ATOM 1904 CD GLN A 129 -7.620 9.353 4.075 1.00 32.14 C ATOM 1905 OE1 GLN A 129 -8.557 9.277 3.170 1.00 21.41 O flip ATOM 1906 NE2 GLN A 129 -7.806 9.875 5.163 1.00 4.22 N flip ATOM 0 H GLN A 129 -4.778 5.235 5.085 1.00 72.01 H new ATOM 0 HA GLN A 129 -5.189 6.504 2.450 1.00 32.33 H new ATOM 0 HB2 GLN A 129 -7.091 6.795 3.839 1.00 73.14 H new ATOM 0 HB3 GLN A 129 -6.101 7.270 5.205 1.00 73.14 H new ATOM 0 HG2 GLN A 129 -5.489 9.344 4.160 1.00 22.32 H new ATOM 0 HG3 GLN A 129 -6.149 8.843 2.616 1.00 22.32 H new ATOM 0 HE21 GLN A 129 -7.049 9.916 5.845 1.00 4.22 H new ATOM 0 HE22 GLN A 129 -8.719 10.270 5.390 1.00 4.22 H new ATOM 1915 N ILE A 130 -3.072 7.610 2.614 1.00 72.45 N ATOM 1916 CA ILE A 130 -1.780 8.233 2.595 1.00 22.31 C ATOM 1917 C ILE A 130 -1.959 9.671 2.186 1.00 43.23 C ATOM 1918 O ILE A 130 -2.247 9.969 1.015 1.00 12.02 O ATOM 1919 CB ILE A 130 -0.813 7.503 1.598 1.00 25.43 C ATOM 1920 CG1 ILE A 130 -0.550 6.043 2.037 1.00 53.50 C ATOM 1921 CG2 ILE A 130 0.505 8.263 1.414 1.00 25.52 C ATOM 1922 CD1 ILE A 130 0.146 5.895 3.376 1.00 25.52 C ATOM 0 H ILE A 130 -3.474 7.466 1.688 1.00 72.45 H new ATOM 0 HA ILE A 130 -1.332 8.171 3.587 1.00 22.31 H new ATOM 0 HB ILE A 130 -1.314 7.482 0.630 1.00 25.43 H new ATOM 0 HG12 ILE A 130 -1.502 5.514 2.078 1.00 53.50 H new ATOM 0 HG13 ILE A 130 0.054 5.553 1.274 1.00 53.50 H new ATOM 0 HG21 ILE A 130 1.143 7.721 0.716 1.00 25.52 H new ATOM 0 HG22 ILE A 130 0.299 9.258 1.020 1.00 25.52 H new ATOM 0 HG23 ILE A 130 1.012 8.351 2.375 1.00 25.52 H new ATOM 0 HD11 ILE A 130 0.287 4.837 3.598 1.00 25.52 H new ATOM 0 HD12 ILE A 130 1.116 6.390 3.338 1.00 25.52 H new ATOM 0 HD13 ILE A 130 -0.464 6.351 4.156 1.00 25.52 H new ATOM 1934 N GLY A 131 -1.868 10.549 3.162 1.00 20.53 N ATOM 1935 CA GLY A 131 -2.028 11.955 2.922 1.00 63.05 C ATOM 1936 C GLY A 131 -3.472 12.304 2.665 1.00 13.42 C ATOM 1937 O GLY A 131 -4.190 12.698 3.560 1.00 24.13 O ATOM 0 H GLY A 131 -1.682 10.304 4.135 1.00 20.53 H new ATOM 0 HA2 GLY A 131 -1.663 12.517 3.782 1.00 63.05 H new ATOM 0 HA3 GLY A 131 -1.422 12.252 2.066 1.00 63.05 H new ATOM 1941 N LYS A 132 -3.877 12.136 1.435 1.00 42.35 N ATOM 1942 CA LYS A 132 -5.239 12.372 1.013 1.00 15.23 C ATOM 1943 C LYS A 132 -5.732 11.217 0.144 1.00 72.32 C ATOM 1944 O LYS A 132 -6.931 11.086 -0.107 1.00 65.34 O ATOM 1945 CB LYS A 132 -5.348 13.681 0.206 1.00 15.13 C ATOM 1946 CG LYS A 132 -4.409 13.746 -1.008 1.00 73.31 C ATOM 1947 CD LYS A 132 -4.777 14.873 -1.970 1.00 64.24 C ATOM 1948 CE LYS A 132 -4.756 16.246 -1.316 1.00 44.32 C ATOM 1949 NZ LYS A 132 -5.209 17.296 -2.247 1.00 61.12 N ATOM 0 H LYS A 132 -3.262 11.826 0.682 1.00 42.35 H new ATOM 0 HA LYS A 132 -5.854 12.451 1.910 1.00 15.23 H new ATOM 0 HB2 LYS A 132 -6.376 13.801 -0.136 1.00 15.13 H new ATOM 0 HB3 LYS A 132 -5.132 14.522 0.865 1.00 15.13 H new ATOM 0 HG2 LYS A 132 -3.384 13.886 -0.664 1.00 73.31 H new ATOM 0 HG3 LYS A 132 -4.440 12.795 -1.539 1.00 73.31 H new ATOM 0 HD2 LYS A 132 -4.083 14.867 -2.810 1.00 64.24 H new ATOM 0 HD3 LYS A 132 -5.771 14.686 -2.376 1.00 64.24 H new ATOM 0 HE2 LYS A 132 -5.396 16.240 -0.434 1.00 44.32 H new ATOM 0 HE3 LYS A 132 -3.746 16.472 -0.975 1.00 44.32 H new ATOM 0 HZ1 LYS A 132 -4.443 17.985 -2.393 1.00 61.12 H new ATOM 0 HZ2 LYS A 132 -5.465 16.865 -3.158 1.00 61.12 H new ATOM 0 HZ3 LYS A 132 -6.038 17.780 -1.848 1.00 61.12 H new ATOM 1963 N PHE A 133 -4.820 10.363 -0.298 1.00 13.31 N ATOM 1964 CA PHE A 133 -5.194 9.359 -1.248 1.00 14.35 C ATOM 1965 C PHE A 133 -5.460 7.983 -0.637 1.00 12.44 C ATOM 1966 O PHE A 133 -5.155 7.741 0.532 1.00 51.41 O ATOM 1967 CB PHE A 133 -4.319 9.367 -2.515 1.00 0.32 C ATOM 1968 CG PHE A 133 -2.829 9.255 -2.344 1.00 2.41 C ATOM 1969 CD1 PHE A 133 -2.055 10.390 -2.166 1.00 64.10 C ATOM 1970 CD2 PHE A 133 -2.201 8.027 -2.410 1.00 61.21 C ATOM 1971 CE1 PHE A 133 -0.685 10.299 -2.048 1.00 21.35 C ATOM 1972 CE2 PHE A 133 -0.828 7.929 -2.302 1.00 32.45 C ATOM 1973 CZ PHE A 133 -0.069 9.066 -2.119 1.00 0.23 C ATOM 0 H PHE A 133 -3.840 10.354 -0.014 1.00 13.31 H new ATOM 0 HA PHE A 133 -6.180 9.650 -1.609 1.00 14.35 H new ATOM 0 HB2 PHE A 133 -4.645 8.544 -3.151 1.00 0.32 H new ATOM 0 HB3 PHE A 133 -4.525 10.290 -3.057 1.00 0.32 H new ATOM 0 HD1 PHE A 133 -2.531 11.358 -2.119 1.00 64.10 H new ATOM 0 HD2 PHE A 133 -2.791 7.133 -2.548 1.00 61.21 H new ATOM 0 HE1 PHE A 133 -0.094 11.191 -1.900 1.00 21.35 H new ATOM 0 HE2 PHE A 133 -0.349 6.963 -2.361 1.00 32.45 H new ATOM 0 HZ PHE A 133 1.005 8.992 -2.031 1.00 0.23 H new ATOM 1983 N ARG A 134 -5.996 7.087 -1.446 1.00 11.24 N ATOM 1984 CA ARG A 134 -6.604 5.850 -0.954 1.00 34.32 C ATOM 1985 C ARG A 134 -5.879 4.621 -1.493 1.00 41.44 C ATOM 1986 O ARG A 134 -5.722 4.466 -2.714 1.00 14.05 O ATOM 1987 CB ARG A 134 -8.032 5.816 -1.485 1.00 40.42 C ATOM 1988 CG ARG A 134 -8.987 4.833 -0.846 1.00 34.21 C ATOM 1989 CD ARG A 134 -9.423 5.306 0.521 1.00 41.12 C ATOM 1990 NE ARG A 134 -10.750 4.790 0.839 1.00 10.23 N ATOM 1991 CZ ARG A 134 -11.874 5.524 0.812 1.00 52.22 C ATOM 1992 NH1 ARG A 134 -11.814 6.844 0.627 1.00 11.13 N ATOM 1993 NH2 ARG A 134 -13.051 4.934 0.990 1.00 42.12 N ATOM 0 H ARG A 134 -6.025 7.190 -2.460 1.00 11.24 H new ATOM 0 HA ARG A 134 -6.555 5.832 0.135 1.00 34.32 H new ATOM 0 HB2 ARG A 134 -8.455 6.815 -1.379 1.00 40.42 H new ATOM 0 HB3 ARG A 134 -7.990 5.600 -2.552 1.00 40.42 H new ATOM 0 HG2 ARG A 134 -9.861 4.703 -1.485 1.00 34.21 H new ATOM 0 HG3 ARG A 134 -8.507 3.858 -0.761 1.00 34.21 H new ATOM 0 HD2 ARG A 134 -8.707 4.974 1.273 1.00 41.12 H new ATOM 0 HD3 ARG A 134 -9.433 6.396 0.550 1.00 41.12 H new ATOM 0 HE ARG A 134 -10.829 3.807 1.099 1.00 10.23 H new ATOM 0 HH11 ARG A 134 -10.910 7.301 0.505 1.00 11.13 H new ATOM 0 HH12 ARG A 134 -12.672 7.396 0.608 1.00 11.13 H new ATOM 0 HH21 ARG A 134 -13.098 3.927 1.146 1.00 42.12 H new ATOM 0 HH22 ARG A 134 -13.907 5.488 0.970 1.00 42.12 H new ATOM 2007 N LEU A 135 -5.462 3.761 -0.601 1.00 20.14 N ATOM 2008 CA LEU A 135 -4.824 2.507 -0.945 1.00 24.51 C ATOM 2009 C LEU A 135 -5.565 1.389 -0.229 1.00 72.01 C ATOM 2010 O LEU A 135 -5.999 1.567 0.894 1.00 43.11 O ATOM 2011 CB LEU A 135 -3.327 2.470 -0.527 1.00 44.20 C ATOM 2012 CG LEU A 135 -2.349 3.473 -1.183 1.00 53.12 C ATOM 2013 CD1 LEU A 135 -2.580 4.901 -0.716 1.00 33.12 C ATOM 2014 CD2 LEU A 135 -0.916 3.061 -0.922 1.00 11.33 C ATOM 0 H LEU A 135 -5.556 3.910 0.404 1.00 20.14 H new ATOM 0 HA LEU A 135 -4.863 2.389 -2.028 1.00 24.51 H new ATOM 0 HB2 LEU A 135 -3.281 2.620 0.552 1.00 44.20 H new ATOM 0 HB3 LEU A 135 -2.953 1.466 -0.725 1.00 44.20 H new ATOM 0 HG LEU A 135 -2.542 3.451 -2.256 1.00 53.12 H new ATOM 0 HD11 LEU A 135 -1.867 5.564 -1.207 1.00 33.12 H new ATOM 0 HD12 LEU A 135 -3.595 5.207 -0.970 1.00 33.12 H new ATOM 0 HD13 LEU A 135 -2.444 4.957 0.364 1.00 33.12 H new ATOM 0 HD21 LEU A 135 -0.241 3.777 -1.390 1.00 11.33 H new ATOM 0 HD22 LEU A 135 -0.734 3.039 0.152 1.00 11.33 H new ATOM 0 HD23 LEU A 135 -0.741 2.070 -1.340 1.00 11.33 H new ATOM 2026 N VAL A 136 -5.760 0.283 -0.876 1.00 43.42 N ATOM 2027 CA VAL A 136 -6.430 -0.848 -0.250 1.00 4.31 C ATOM 2028 C VAL A 136 -5.457 -2.004 -0.135 1.00 32.14 C ATOM 2029 O VAL A 136 -4.816 -2.376 -1.120 1.00 45.31 O ATOM 2030 CB VAL A 136 -7.703 -1.295 -1.042 1.00 72.14 C ATOM 2031 CG1 VAL A 136 -8.363 -2.513 -0.398 1.00 61.34 C ATOM 2032 CG2 VAL A 136 -8.705 -0.154 -1.124 1.00 54.23 C ATOM 0 H VAL A 136 -5.469 0.124 -1.841 1.00 43.42 H new ATOM 0 HA VAL A 136 -6.762 -0.535 0.740 1.00 4.31 H new ATOM 0 HB VAL A 136 -7.384 -1.570 -2.047 1.00 72.14 H new ATOM 0 HG11 VAL A 136 -9.244 -2.796 -0.974 1.00 61.34 H new ATOM 0 HG12 VAL A 136 -7.657 -3.343 -0.382 1.00 61.34 H new ATOM 0 HG13 VAL A 136 -8.659 -2.269 0.622 1.00 61.34 H new ATOM 0 HG21 VAL A 136 -9.585 -0.481 -1.678 1.00 54.23 H new ATOM 0 HG22 VAL A 136 -9.000 0.144 -0.118 1.00 54.23 H new ATOM 0 HG23 VAL A 136 -8.249 0.694 -1.635 1.00 54.23 H new ATOM 2042 N PHE A 137 -5.328 -2.538 1.056 1.00 74.10 N ATOM 2043 CA PHE A 137 -4.442 -3.648 1.318 1.00 34.35 C ATOM 2044 C PHE A 137 -5.247 -4.932 1.314 1.00 4.13 C ATOM 2045 O PHE A 137 -6.195 -5.078 2.079 1.00 53.31 O ATOM 2046 CB PHE A 137 -3.741 -3.452 2.675 1.00 34.23 C ATOM 2047 CG PHE A 137 -2.862 -4.601 3.113 1.00 14.53 C ATOM 2048 CD1 PHE A 137 -1.548 -4.694 2.693 1.00 21.32 C ATOM 2049 CD2 PHE A 137 -3.358 -5.582 3.958 1.00 41.24 C ATOM 2050 CE1 PHE A 137 -0.753 -5.745 3.108 1.00 75.45 C ATOM 2051 CE2 PHE A 137 -2.568 -6.627 4.375 1.00 45.11 C ATOM 2052 CZ PHE A 137 -1.266 -6.710 3.951 1.00 50.32 C ATOM 0 H PHE A 137 -5.838 -2.212 1.877 1.00 74.10 H new ATOM 0 HA PHE A 137 -3.677 -3.702 0.544 1.00 34.35 H new ATOM 0 HB2 PHE A 137 -3.134 -2.548 2.626 1.00 34.23 H new ATOM 0 HB3 PHE A 137 -4.501 -3.284 3.438 1.00 34.23 H new ATOM 0 HD1 PHE A 137 -1.140 -3.940 2.036 1.00 21.32 H new ATOM 0 HD2 PHE A 137 -4.383 -5.524 4.294 1.00 41.24 H new ATOM 0 HE1 PHE A 137 0.271 -5.812 2.772 1.00 75.45 H new ATOM 0 HE2 PHE A 137 -2.971 -7.381 5.035 1.00 45.11 H new ATOM 0 HZ PHE A 137 -0.643 -7.530 4.277 1.00 50.32 H new ATOM 2062 N LEU A 138 -4.896 -5.839 0.459 1.00 41.31 N ATOM 2063 CA LEU A 138 -5.598 -7.090 0.350 1.00 72.43 C ATOM 2064 C LEU A 138 -4.628 -8.224 0.125 1.00 24.10 C ATOM 2065 O LEU A 138 -3.472 -8.006 -0.258 1.00 24.22 O ATOM 2066 CB LEU A 138 -6.704 -7.080 -0.749 1.00 30.41 C ATOM 2067 CG LEU A 138 -6.282 -6.863 -2.224 1.00 25.10 C ATOM 2068 CD1 LEU A 138 -7.447 -7.188 -3.141 1.00 72.33 C ATOM 2069 CD2 LEU A 138 -5.846 -5.425 -2.476 1.00 43.42 C ATOM 0 H LEU A 138 -4.113 -5.738 -0.187 1.00 41.31 H new ATOM 0 HA LEU A 138 -6.112 -7.242 1.299 1.00 72.43 H new ATOM 0 HB2 LEU A 138 -7.235 -8.030 -0.693 1.00 30.41 H new ATOM 0 HB3 LEU A 138 -7.420 -6.299 -0.491 1.00 30.41 H new ATOM 0 HG LEU A 138 -5.439 -7.523 -2.428 1.00 25.10 H new ATOM 0 HD11 LEU A 138 -7.148 -7.035 -4.178 1.00 72.33 H new ATOM 0 HD12 LEU A 138 -7.743 -8.227 -2.999 1.00 72.33 H new ATOM 0 HD13 LEU A 138 -8.288 -6.536 -2.906 1.00 72.33 H new ATOM 0 HD21 LEU A 138 -5.557 -5.310 -3.521 1.00 43.42 H new ATOM 0 HD22 LEU A 138 -6.672 -4.750 -2.251 1.00 43.42 H new ATOM 0 HD23 LEU A 138 -4.997 -5.185 -1.836 1.00 43.42 H new ATOM 2081 N ALA A 139 -5.066 -9.419 0.394 1.00 74.45 N ATOM 2082 CA ALA A 139 -4.254 -10.570 0.149 1.00 15.44 C ATOM 2083 C ALA A 139 -4.222 -10.794 -1.341 1.00 3.34 C ATOM 2084 O ALA A 139 -5.270 -10.839 -2.001 1.00 13.23 O ATOM 2085 CB ALA A 139 -4.811 -11.782 0.858 1.00 13.41 C ATOM 0 H ALA A 139 -5.986 -9.620 0.785 1.00 74.45 H new ATOM 0 HA ALA A 139 -3.246 -10.409 0.532 1.00 15.44 H new ATOM 0 HB1 ALA A 139 -4.176 -12.645 0.657 1.00 13.41 H new ATOM 0 HB2 ALA A 139 -4.839 -11.595 1.931 1.00 13.41 H new ATOM 0 HB3 ALA A 139 -5.820 -11.982 0.498 1.00 13.41 H new ATOM 2091 N GLY A 140 -3.033 -10.898 -1.866 1.00 70.35 N ATOM 2092 CA GLY A 140 -2.862 -10.952 -3.280 1.00 34.34 C ATOM 2093 C GLY A 140 -3.009 -12.334 -3.840 1.00 3.44 C ATOM 2094 O GLY A 140 -4.046 -12.980 -3.653 1.00 3.05 O ATOM 0 H GLY A 140 -2.168 -10.947 -1.328 1.00 70.35 H new ATOM 0 HA2 GLY A 140 -3.592 -10.296 -3.753 1.00 34.34 H new ATOM 0 HA3 GLY A 140 -1.875 -10.567 -3.535 1.00 34.34 H new ATOM 2098 N PRO A 141 -1.996 -12.831 -4.523 1.00 53.30 N ATOM 2099 CA PRO A 141 -2.066 -14.117 -5.169 1.00 3.41 C ATOM 2100 C PRO A 141 -2.054 -15.305 -4.207 1.00 1.14 C ATOM 2101 O PRO A 141 -1.631 -15.210 -3.043 1.00 61.10 O ATOM 2102 CB PRO A 141 -0.829 -14.149 -6.061 1.00 30.52 C ATOM 2103 CG PRO A 141 0.138 -13.234 -5.403 1.00 74.42 C ATOM 2104 CD PRO A 141 -0.684 -12.177 -4.725 1.00 65.32 C ATOM 0 HA PRO A 141 -3.009 -14.220 -5.705 1.00 3.41 H new ATOM 0 HB2 PRO A 141 -0.426 -15.158 -6.142 1.00 30.52 H new ATOM 0 HB3 PRO A 141 -1.062 -13.817 -7.073 1.00 30.52 H new ATOM 0 HG2 PRO A 141 0.754 -13.771 -4.682 1.00 74.42 H new ATOM 0 HG3 PRO A 141 0.815 -12.792 -6.134 1.00 74.42 H new ATOM 0 HD2 PRO A 141 -0.240 -11.870 -3.778 1.00 65.32 H new ATOM 0 HD3 PRO A 141 -0.773 -11.282 -5.341 1.00 65.32 H new ATOM 2112 N ALA A 142 -2.562 -16.387 -4.708 1.00 43.42 N ATOM 2113 CA ALA A 142 -2.511 -17.689 -4.074 1.00 60.21 C ATOM 2114 C ALA A 142 -1.782 -18.589 -5.058 1.00 32.11 C ATOM 2115 O ALA A 142 -1.864 -19.814 -5.030 1.00 45.45 O ATOM 2116 CB ALA A 142 -3.926 -18.197 -3.818 1.00 71.23 C ATOM 0 H ALA A 142 -3.046 -16.399 -5.606 1.00 43.42 H new ATOM 0 HA ALA A 142 -2.003 -17.661 -3.110 1.00 60.21 H new ATOM 0 HB1 ALA A 142 -3.880 -19.176 -3.341 1.00 71.23 H new ATOM 0 HB2 ALA A 142 -4.450 -17.499 -3.165 1.00 71.23 H new ATOM 0 HB3 ALA A 142 -4.460 -18.279 -4.765 1.00 71.23 H new ATOM 2122 N GLU A 143 -1.051 -17.916 -5.919 1.00 52.53 N ATOM 2123 CA GLU A 143 -0.321 -18.488 -7.007 1.00 14.25 C ATOM 2124 C GLU A 143 1.034 -18.951 -6.499 1.00 12.12 C ATOM 2125 O GLU A 143 1.191 -20.152 -6.202 1.00 38.96 O ATOM 2126 CB GLU A 143 -0.135 -17.408 -8.073 1.00 75.21 C ATOM 2127 CG GLU A 143 0.493 -17.880 -9.361 1.00 63.34 C ATOM 2128 CD GLU A 143 0.926 -16.733 -10.215 1.00 22.42 C ATOM 2129 OE1 GLU A 143 0.090 -16.145 -10.936 1.00 74.02 O ATOM 2130 OE2 GLU A 143 2.122 -16.381 -10.183 1.00 44.43 O ATOM 2131 OXT GLU A 143 1.944 -18.103 -6.347 1.00 38.96 O ATOM 0 H GLU A 143 -0.951 -16.902 -5.868 1.00 52.53 H new ATOM 0 HA GLU A 143 -0.855 -19.339 -7.430 1.00 14.25 H new ATOM 0 HB2 GLU A 143 -1.108 -16.972 -8.300 1.00 75.21 H new ATOM 0 HB3 GLU A 143 0.482 -16.611 -7.657 1.00 75.21 H new ATOM 0 HG2 GLU A 143 1.352 -18.512 -9.137 1.00 63.34 H new ATOM 0 HG3 GLU A 143 -0.220 -18.494 -9.910 1.00 63.34 H new