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 106 SER OG : rot -57:sc= 1.29 USER MOD Set 1.2: A 118 ASN : amide:sc= 0 X(o=1.3,f=1.2) USER MOD Set 2.1: A 89 HIS : no HE2:sc= 0.301 K(o=1.3,f=-5.6!) USER MOD Set 2.2: A 110 THR OG1 : rot -73:sc= 0.964 USER MOD Set 3.1: A 65 GLN : amide:sc= 2.14 K(o=2.1,f=-11!) USER MOD Set 3.2: A 68 THR OG1 : rot 120:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 1.06 (180deg=0.905) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 72:sc= 1.26 USER MOD Single : A 30 THR OG1 : rot 67:sc= 1.06 USER MOD Single : A 32 THR OG1 : rot 106:sc= 0.198 USER MOD Single : A 36 SER OG : rot 46:sc= 1.21 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.532 K(o=-0.53,f=-2.3) USER MOD Single : A 46 SER OG : rot 114:sc= -0.161 USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.0543 (180deg=-0.37) USER MOD Single : A 56 ASN : amide:sc= -2.21! C(o=-2.2!,f=-4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 76 SER OG : rot -150:sc= 0 USER MOD Single : A 84 THR OG1 : rot 149:sc= 0.437 USER MOD Single : A 86 SER OG : rot -135:sc= 1.12 USER MOD Single : A 95 ASN : amide:sc= -0.563 K(o=-0.56,f=-1.9) USER MOD Single : A 108 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.9!) USER MOD Single : A 111 TYR OH : rot 30:sc= 0.629 USER MOD Single : A 113 ASN : amide:sc= 0.9 K(o=0.9,f=-1.3!) USER MOD Single : A 120 GLN : amide:sc= 0.116 K(o=0.12,f=-0.7) USER MOD Single : A 122 MET CE :methyl -174:sc= -2.01 (180deg=-2.13) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 124 THR OG1 : rot 162:sc= -0.306 USER MOD Single : A 129 GLN : amide:sc= -0.054 K(o=-0.054,f=-1.6) USER MOD Single : A 132 LYS NZ :NH3+ 176:sc= 0.842 (180deg=0.835) USER MOD ----------------------------------------------------------------- ATOM 214 N SER A 16 6.399 19.952 6.858 1.00 34.21 N ATOM 215 CA SER A 16 5.752 20.729 7.862 1.00 54.12 C ATOM 216 C SER A 16 4.368 20.091 8.042 1.00 22.30 C ATOM 217 O SER A 16 3.844 19.483 7.092 1.00 35.33 O ATOM 218 CB SER A 16 5.645 22.189 7.381 1.00 54.13 C ATOM 219 OG SER A 16 5.164 23.055 8.392 1.00 74.01 O ATOM 0 HA SER A 16 6.295 20.743 8.807 1.00 54.12 H new ATOM 0 HB2 SER A 16 6.625 22.532 7.048 1.00 54.13 H new ATOM 0 HB3 SER A 16 4.980 22.237 6.518 1.00 54.13 H new ATOM 0 HG SER A 16 5.114 23.969 8.043 1.00 74.01 H new ATOM 225 N VAL A 17 3.780 20.210 9.205 1.00 52.12 N ATOM 226 CA VAL A 17 2.534 19.521 9.476 1.00 72.33 C ATOM 227 C VAL A 17 1.390 20.313 8.898 1.00 31.53 C ATOM 228 O VAL A 17 1.121 21.454 9.303 1.00 73.02 O ATOM 229 CB VAL A 17 2.298 19.315 10.992 1.00 63.51 C ATOM 230 CG1 VAL A 17 1.040 18.493 11.232 1.00 51.33 C ATOM 231 CG2 VAL A 17 3.491 18.654 11.642 1.00 62.22 C ATOM 0 H VAL A 17 4.137 20.772 9.978 1.00 52.12 H new ATOM 0 HA VAL A 17 2.593 18.536 9.012 1.00 72.33 H new ATOM 0 HB VAL A 17 2.164 20.296 11.447 1.00 63.51 H new ATOM 0 HG11 VAL A 17 0.892 18.359 12.304 1.00 51.33 H new ATOM 0 HG12 VAL A 17 0.180 19.012 10.809 1.00 51.33 H new ATOM 0 HG13 VAL A 17 1.146 17.518 10.756 1.00 51.33 H new ATOM 0 HG21 VAL A 17 3.298 18.521 12.707 1.00 62.22 H new ATOM 0 HG22 VAL A 17 3.664 17.682 11.181 1.00 62.22 H new ATOM 0 HG23 VAL A 17 4.372 19.281 11.508 1.00 62.22 H new ATOM 241 N PHE A 18 0.733 19.724 7.946 1.00 30.31 N ATOM 242 CA PHE A 18 -0.322 20.381 7.238 1.00 12.44 C ATOM 243 C PHE A 18 -1.608 19.631 7.402 1.00 54.42 C ATOM 244 O PHE A 18 -1.619 18.398 7.432 1.00 61.34 O ATOM 245 CB PHE A 18 0.025 20.525 5.735 1.00 75.34 C ATOM 246 CG PHE A 18 0.175 19.221 4.965 1.00 23.24 C ATOM 247 CD1 PHE A 18 1.340 18.475 5.036 1.00 51.11 C ATOM 248 CD2 PHE A 18 -0.852 18.764 4.159 1.00 24.31 C ATOM 249 CE1 PHE A 18 1.473 17.304 4.323 1.00 23.43 C ATOM 250 CE2 PHE A 18 -0.726 17.590 3.445 1.00 52.24 C ATOM 251 CZ PHE A 18 0.439 16.860 3.526 1.00 4.50 C ATOM 0 H PHE A 18 0.915 18.769 7.637 1.00 30.31 H new ATOM 0 HA PHE A 18 -0.441 21.379 7.659 1.00 12.44 H new ATOM 0 HB2 PHE A 18 -0.753 21.121 5.257 1.00 75.34 H new ATOM 0 HB3 PHE A 18 0.955 21.086 5.648 1.00 75.34 H new ATOM 0 HD1 PHE A 18 2.154 18.816 5.658 1.00 51.11 H new ATOM 0 HD2 PHE A 18 -1.766 19.335 4.087 1.00 24.31 H new ATOM 0 HE1 PHE A 18 2.388 16.733 4.388 1.00 23.43 H new ATOM 0 HE2 PHE A 18 -1.539 17.244 2.824 1.00 52.24 H new ATOM 0 HZ PHE A 18 0.543 15.942 2.967 1.00 4.50 H new ATOM 261 N ARG A 19 -2.675 20.349 7.570 1.00 11.34 N ATOM 262 CA ARG A 19 -3.975 19.755 7.584 1.00 23.35 C ATOM 263 C ARG A 19 -4.690 20.254 6.367 1.00 3.15 C ATOM 264 O ARG A 19 -5.255 21.339 6.362 1.00 22.44 O ATOM 265 CB ARG A 19 -4.774 20.063 8.864 1.00 72.32 C ATOM 266 CG ARG A 19 -4.066 19.685 10.166 1.00 62.12 C ATOM 267 CD ARG A 19 -3.458 18.281 10.109 1.00 43.42 C ATOM 268 NE ARG A 19 -4.428 17.222 9.771 1.00 12.30 N ATOM 269 CZ ARG A 19 -4.171 16.201 8.929 1.00 35.33 C ATOM 270 NH1 ARG A 19 -3.086 16.233 8.147 1.00 12.24 N ATOM 271 NH2 ARG A 19 -5.015 15.181 8.828 1.00 31.32 N ATOM 0 H ARG A 19 -2.669 21.361 7.701 1.00 11.34 H new ATOM 0 HA ARG A 19 -3.876 18.670 7.574 1.00 23.35 H new ATOM 0 HB2 ARG A 19 -5.002 21.129 8.886 1.00 72.32 H new ATOM 0 HB3 ARG A 19 -5.726 19.535 8.818 1.00 72.32 H new ATOM 0 HG2 ARG A 19 -3.280 20.411 10.374 1.00 62.12 H new ATOM 0 HG3 ARG A 19 -4.775 19.738 10.992 1.00 62.12 H new ATOM 0 HD2 ARG A 19 -2.655 18.273 9.372 1.00 43.42 H new ATOM 0 HD3 ARG A 19 -3.007 18.052 11.074 1.00 43.42 H new ATOM 0 HE ARG A 19 -5.352 17.265 10.202 1.00 12.30 H new ATOM 0 HH11 ARG A 19 -2.452 17.031 8.187 1.00 12.24 H new ATOM 0 HH12 ARG A 19 -2.893 15.460 7.511 1.00 12.24 H new ATOM 0 HH21 ARG A 19 -5.866 15.166 9.390 1.00 31.32 H new ATOM 0 HH22 ARG A 19 -4.812 14.413 8.188 1.00 31.32 H new ATOM 285 N ALA A 20 -4.578 19.499 5.314 1.00 13.34 N ATOM 286 CA ALA A 20 -5.117 19.880 4.034 1.00 14.01 C ATOM 287 C ALA A 20 -6.615 19.658 3.959 1.00 72.02 C ATOM 288 O ALA A 20 -7.258 19.236 4.923 1.00 2.40 O ATOM 289 CB ALA A 20 -4.425 19.085 2.938 1.00 51.31 C ATOM 0 H ALA A 20 -4.107 18.594 5.315 1.00 13.34 H new ATOM 0 HA ALA A 20 -4.936 20.946 3.899 1.00 14.01 H new ATOM 0 HB1 ALA A 20 -4.832 19.372 1.968 1.00 51.31 H new ATOM 0 HB2 ALA A 20 -3.355 19.292 2.958 1.00 51.31 H new ATOM 0 HB3 ALA A 20 -4.592 18.020 3.100 1.00 51.31 H new ATOM 295 N ASP A 21 -7.135 19.871 2.768 1.00 25.42 N ATOM 296 CA ASP A 21 -8.549 19.696 2.394 1.00 5.44 C ATOM 297 C ASP A 21 -8.988 18.222 2.500 1.00 23.24 C ATOM 298 O ASP A 21 -10.152 17.881 2.271 1.00 21.21 O ATOM 299 CB ASP A 21 -8.732 20.176 0.951 1.00 71.30 C ATOM 300 CG ASP A 21 -7.890 19.379 -0.038 1.00 55.52 C ATOM 301 OD1 ASP A 21 -6.652 19.644 -0.165 1.00 33.20 O ATOM 302 OD2 ASP A 21 -8.430 18.487 -0.706 1.00 62.44 O ATOM 0 H ASP A 21 -6.564 20.188 1.984 1.00 25.42 H new ATOM 0 HA ASP A 21 -9.165 20.277 3.081 1.00 5.44 H new ATOM 0 HB2 ASP A 21 -9.784 20.097 0.675 1.00 71.30 H new ATOM 0 HB3 ASP A 21 -8.464 21.230 0.885 1.00 71.30 H new ATOM 307 N LEU A 22 -8.053 17.374 2.886 1.00 31.30 N ATOM 308 CA LEU A 22 -8.250 15.944 3.053 1.00 62.40 C ATOM 309 C LEU A 22 -9.258 15.651 4.168 1.00 11.41 C ATOM 310 O LEU A 22 -9.821 14.567 4.243 1.00 11.52 O ATOM 311 CB LEU A 22 -6.875 15.277 3.331 1.00 5.40 C ATOM 312 CG LEU A 22 -6.099 15.707 4.613 1.00 64.21 C ATOM 313 CD1 LEU A 22 -6.612 14.996 5.858 1.00 24.13 C ATOM 314 CD2 LEU A 22 -4.605 15.488 4.453 1.00 45.11 C ATOM 0 H LEU A 22 -7.101 17.672 3.100 1.00 31.30 H new ATOM 0 HA LEU A 22 -8.669 15.524 2.138 1.00 62.40 H new ATOM 0 HB2 LEU A 22 -7.031 14.199 3.381 1.00 5.40 H new ATOM 0 HB3 LEU A 22 -6.232 15.467 2.472 1.00 5.40 H new ATOM 0 HG LEU A 22 -6.279 16.774 4.745 1.00 64.21 H new ATOM 0 HD11 LEU A 22 -6.042 15.326 6.727 1.00 24.13 H new ATOM 0 HD12 LEU A 22 -7.666 15.233 6.004 1.00 24.13 H new ATOM 0 HD13 LEU A 22 -6.495 13.919 5.736 1.00 24.13 H new ATOM 0 HD21 LEU A 22 -4.092 15.798 5.364 1.00 45.11 H new ATOM 0 HD22 LEU A 22 -4.410 14.432 4.268 1.00 45.11 H new ATOM 0 HD23 LEU A 22 -4.239 16.077 3.612 1.00 45.11 H new ATOM 326 N LEU A 23 -9.495 16.652 5.011 1.00 72.34 N ATOM 327 CA LEU A 23 -10.408 16.557 6.141 1.00 10.31 C ATOM 328 C LEU A 23 -11.867 16.405 5.681 1.00 24.33 C ATOM 329 O LEU A 23 -12.763 16.158 6.483 1.00 24.14 O ATOM 330 CB LEU A 23 -10.269 17.808 7.012 1.00 60.05 C ATOM 331 CG LEU A 23 -8.883 18.091 7.609 1.00 20.32 C ATOM 332 CD1 LEU A 23 -8.893 19.419 8.346 1.00 14.02 C ATOM 333 CD2 LEU A 23 -8.458 16.975 8.551 1.00 3.22 C ATOM 0 H LEU A 23 -9.050 17.566 4.925 1.00 72.34 H new ATOM 0 HA LEU A 23 -10.146 15.668 6.715 1.00 10.31 H new ATOM 0 HB2 LEU A 23 -10.563 18.671 6.415 1.00 60.05 H new ATOM 0 HB3 LEU A 23 -10.982 17.730 7.833 1.00 60.05 H new ATOM 0 HG LEU A 23 -8.164 18.141 6.792 1.00 20.32 H new ATOM 0 HD11 LEU A 23 -7.905 19.610 8.765 1.00 14.02 H new ATOM 0 HD12 LEU A 23 -9.153 20.218 7.652 1.00 14.02 H new ATOM 0 HD13 LEU A 23 -9.628 19.383 9.150 1.00 14.02 H new ATOM 0 HD21 LEU A 23 -7.473 17.200 8.960 1.00 3.22 H new ATOM 0 HD22 LEU A 23 -9.179 16.891 9.365 1.00 3.22 H new ATOM 0 HD23 LEU A 23 -8.417 16.033 8.004 1.00 3.22 H new ATOM 345 N LYS A 24 -12.104 16.564 4.396 1.00 33.13 N ATOM 346 CA LYS A 24 -13.438 16.445 3.859 1.00 52.30 C ATOM 347 C LYS A 24 -13.752 14.993 3.464 1.00 0.43 C ATOM 348 O LYS A 24 -14.907 14.580 3.484 1.00 44.43 O ATOM 349 CB LYS A 24 -13.630 17.411 2.681 1.00 24.42 C ATOM 350 CG LYS A 24 -15.047 17.453 2.140 1.00 23.20 C ATOM 351 CD LYS A 24 -15.208 18.515 1.073 1.00 63.23 C ATOM 352 CE LYS A 24 -16.634 18.551 0.543 1.00 33.23 C ATOM 353 NZ LYS A 24 -17.624 18.821 1.613 1.00 32.23 N ATOM 0 H LYS A 24 -11.386 16.777 3.704 1.00 33.13 H new ATOM 0 HA LYS A 24 -14.149 16.723 4.637 1.00 52.30 H new ATOM 0 HB2 LYS A 24 -13.343 18.414 2.997 1.00 24.42 H new ATOM 0 HB3 LYS A 24 -12.953 17.125 1.876 1.00 24.42 H new ATOM 0 HG2 LYS A 24 -15.307 16.479 1.726 1.00 23.20 H new ATOM 0 HG3 LYS A 24 -15.742 17.649 2.956 1.00 23.20 H new ATOM 0 HD2 LYS A 24 -14.945 19.490 1.484 1.00 63.23 H new ATOM 0 HD3 LYS A 24 -14.517 18.318 0.253 1.00 63.23 H new ATOM 0 HE2 LYS A 24 -16.714 19.319 -0.226 1.00 33.23 H new ATOM 0 HE3 LYS A 24 -16.867 17.598 0.067 1.00 33.23 H new ATOM 0 HZ1 LYS A 24 -18.558 18.987 1.188 1.00 32.23 H new ATOM 0 HZ2 LYS A 24 -17.676 18.003 2.253 1.00 32.23 H new ATOM 0 HZ3 LYS A 24 -17.333 19.663 2.150 1.00 32.23 H new ATOM 367 N GLU A 25 -12.705 14.199 3.208 1.00 64.01 N ATOM 368 CA GLU A 25 -12.863 12.798 2.759 1.00 62.40 C ATOM 369 C GLU A 25 -13.636 11.940 3.775 1.00 74.02 C ATOM 370 O GLU A 25 -14.245 10.922 3.412 1.00 65.32 O ATOM 371 CB GLU A 25 -11.500 12.159 2.450 1.00 14.31 C ATOM 372 CG GLU A 25 -10.808 12.707 1.201 1.00 13.52 C ATOM 373 CD GLU A 25 -11.527 12.338 -0.088 1.00 21.41 C ATOM 374 OE1 GLU A 25 -11.259 11.239 -0.647 1.00 44.32 O ATOM 375 OE2 GLU A 25 -12.351 13.136 -0.591 1.00 62.53 O ATOM 0 H GLU A 25 -11.734 14.498 3.303 1.00 64.01 H new ATOM 0 HA GLU A 25 -13.453 12.830 1.843 1.00 62.40 H new ATOM 0 HB2 GLU A 25 -10.843 12.305 3.307 1.00 14.31 H new ATOM 0 HB3 GLU A 25 -11.636 11.084 2.332 1.00 14.31 H new ATOM 0 HG2 GLU A 25 -10.742 13.792 1.276 1.00 13.52 H new ATOM 0 HG3 GLU A 25 -9.787 12.328 1.162 1.00 13.52 H new ATOM 382 N MET A 26 -13.631 12.355 5.035 1.00 32.22 N ATOM 383 CA MET A 26 -14.341 11.635 6.082 1.00 24.54 C ATOM 384 C MET A 26 -15.854 11.589 5.851 1.00 31.12 C ATOM 385 O MET A 26 -16.484 10.596 6.192 1.00 1.30 O ATOM 386 CB MET A 26 -14.014 12.155 7.501 1.00 2.20 C ATOM 387 CG MET A 26 -14.401 13.599 7.787 1.00 34.43 C ATOM 388 SD MET A 26 -13.971 14.100 9.473 1.00 51.20 S ATOM 389 CE MET A 26 -14.561 15.789 9.490 1.00 54.45 C ATOM 0 H MET A 26 -13.141 13.190 5.357 1.00 32.22 H new ATOM 0 HA MET A 26 -13.972 10.611 6.021 1.00 24.54 H new ATOM 0 HB2 MET A 26 -14.516 11.514 8.226 1.00 2.20 H new ATOM 0 HB3 MET A 26 -12.942 12.047 7.668 1.00 2.20 H new ATOM 0 HG2 MET A 26 -13.900 14.256 7.076 1.00 34.43 H new ATOM 0 HG3 MET A 26 -15.473 13.723 7.635 1.00 34.43 H new ATOM 0 HE1 MET A 26 -14.366 16.233 10.466 1.00 54.45 H new ATOM 0 HE2 MET A 26 -14.044 16.363 8.721 1.00 54.45 H new ATOM 0 HE3 MET A 26 -15.633 15.802 9.293 1.00 54.45 H new ATOM 399 N GLU A 27 -16.437 12.612 5.207 1.00 72.02 N ATOM 400 CA GLU A 27 -17.884 12.607 5.005 1.00 20.44 C ATOM 401 C GLU A 27 -18.270 11.653 3.882 1.00 45.23 C ATOM 402 O GLU A 27 -19.368 11.104 3.865 1.00 41.43 O ATOM 403 CB GLU A 27 -18.468 14.014 4.790 1.00 72.12 C ATOM 404 CG GLU A 27 -18.052 14.728 3.514 1.00 21.41 C ATOM 405 CD GLU A 27 -18.697 16.089 3.392 1.00 21.20 C ATOM 406 OE1 GLU A 27 -19.892 16.171 3.035 1.00 52.12 O ATOM 407 OE2 GLU A 27 -18.029 17.117 3.677 1.00 51.01 O ATOM 0 H GLU A 27 -15.946 13.423 4.831 1.00 72.02 H new ATOM 0 HA GLU A 27 -18.331 12.242 5.930 1.00 20.44 H new ATOM 0 HB2 GLU A 27 -19.555 13.938 4.801 1.00 72.12 H new ATOM 0 HB3 GLU A 27 -18.183 14.636 5.639 1.00 72.12 H new ATOM 0 HG2 GLU A 27 -16.968 14.838 3.497 1.00 21.41 H new ATOM 0 HG3 GLU A 27 -18.325 14.119 2.652 1.00 21.41 H new ATOM 414 N SER A 28 -17.344 11.432 2.975 1.00 13.31 N ATOM 415 CA SER A 28 -17.534 10.486 1.903 1.00 0.41 C ATOM 416 C SER A 28 -17.275 9.074 2.432 1.00 72.54 C ATOM 417 O SER A 28 -17.834 8.083 1.940 1.00 23.03 O ATOM 418 CB SER A 28 -16.586 10.829 0.757 1.00 74.41 C ATOM 419 OG SER A 28 -16.815 12.167 0.317 1.00 0.31 O ATOM 0 H SER A 28 -16.440 11.904 2.962 1.00 13.31 H new ATOM 0 HA SER A 28 -18.556 10.533 1.528 1.00 0.41 H new ATOM 0 HB2 SER A 28 -15.552 10.717 1.084 1.00 74.41 H new ATOM 0 HB3 SER A 28 -16.736 10.135 -0.070 1.00 74.41 H new ATOM 0 HG SER A 28 -16.202 12.379 -0.417 1.00 0.31 H new ATOM 425 N SER A 29 -16.456 9.004 3.471 1.00 14.43 N ATOM 426 CA SER A 29 -16.126 7.754 4.107 1.00 33.21 C ATOM 427 C SER A 29 -17.275 7.294 5.013 1.00 63.03 C ATOM 428 O SER A 29 -17.420 6.105 5.290 1.00 15.41 O ATOM 429 CB SER A 29 -14.820 7.889 4.891 1.00 53.52 C ATOM 430 OG SER A 29 -13.761 8.328 4.040 1.00 43.23 O ATOM 0 H SER A 29 -16.006 9.817 3.891 1.00 14.43 H new ATOM 0 HA SER A 29 -15.982 6.993 3.340 1.00 33.21 H new ATOM 0 HB2 SER A 29 -14.953 8.597 5.709 1.00 53.52 H new ATOM 0 HB3 SER A 29 -14.559 6.930 5.339 1.00 53.52 H new ATOM 0 HG SER A 29 -13.899 9.269 3.805 1.00 43.23 H new ATOM 436 N THR A 30 -18.068 8.233 5.490 1.00 34.24 N ATOM 437 CA THR A 30 -19.246 7.903 6.249 1.00 42.14 C ATOM 438 C THR A 30 -20.307 7.389 5.288 1.00 71.42 C ATOM 439 O THR A 30 -20.843 8.132 4.464 1.00 3.22 O ATOM 440 CB THR A 30 -19.738 9.115 7.068 1.00 61.25 C ATOM 441 OG1 THR A 30 -18.668 9.528 7.943 1.00 42.43 O ATOM 442 CG2 THR A 30 -20.955 8.746 7.913 1.00 71.42 C ATOM 0 H THR A 30 -17.912 9.233 5.362 1.00 34.24 H new ATOM 0 HA THR A 30 -19.017 7.122 6.974 1.00 42.14 H new ATOM 0 HB THR A 30 -20.023 9.917 6.387 1.00 61.25 H new ATOM 0 HG1 THR A 30 -17.928 9.884 7.409 1.00 42.43 H new ATOM 0 HG21 THR A 30 -21.282 9.617 8.480 1.00 71.42 H new ATOM 0 HG22 THR A 30 -21.763 8.413 7.261 1.00 71.42 H new ATOM 0 HG23 THR A 30 -20.690 7.943 8.601 1.00 71.42 H new ATOM 450 N GLY A 31 -20.548 6.114 5.370 1.00 61.00 N ATOM 451 CA GLY A 31 -21.410 5.443 4.452 1.00 50.41 C ATOM 452 C GLY A 31 -20.632 4.369 3.732 1.00 43.42 C ATOM 453 O GLY A 31 -21.183 3.592 2.967 1.00 32.11 O ATOM 0 H GLY A 31 -20.146 5.507 6.085 1.00 61.00 H new ATOM 0 HA2 GLY A 31 -22.254 5.003 4.983 1.00 50.41 H new ATOM 0 HA3 GLY A 31 -21.820 6.154 3.735 1.00 50.41 H new ATOM 457 N THR A 32 -19.336 4.327 3.991 1.00 62.45 N ATOM 458 CA THR A 32 -18.465 3.354 3.401 1.00 45.41 C ATOM 459 C THR A 32 -17.941 2.430 4.493 1.00 3.02 C ATOM 460 O THR A 32 -17.332 2.891 5.452 1.00 12.24 O ATOM 461 CB THR A 32 -17.260 4.052 2.732 1.00 42.43 C ATOM 462 OG1 THR A 32 -17.735 5.093 1.863 1.00 73.15 O ATOM 463 CG2 THR A 32 -16.436 3.057 1.918 1.00 4.50 C ATOM 0 H THR A 32 -18.866 4.976 4.622 1.00 62.45 H new ATOM 0 HA THR A 32 -19.021 2.790 2.652 1.00 45.41 H new ATOM 0 HB THR A 32 -16.627 4.472 3.514 1.00 42.43 H new ATOM 0 HG1 THR A 32 -17.573 5.966 2.279 1.00 73.15 H new ATOM 0 HG21 THR A 32 -15.594 3.573 1.457 1.00 4.50 H new ATOM 0 HG22 THR A 32 -16.064 2.270 2.574 1.00 4.50 H new ATOM 0 HG23 THR A 32 -17.061 2.617 1.141 1.00 4.50 H new ATOM 471 N ALA A 33 -18.187 1.157 4.359 1.00 11.45 N ATOM 472 CA ALA A 33 -17.685 0.188 5.299 1.00 43.23 C ATOM 473 C ALA A 33 -16.693 -0.703 4.579 1.00 73.31 C ATOM 474 O ALA A 33 -17.080 -1.396 3.639 1.00 73.23 O ATOM 475 CB ALA A 33 -18.831 -0.643 5.868 1.00 24.31 C ATOM 0 H ALA A 33 -18.739 0.760 3.599 1.00 11.45 H new ATOM 0 HA ALA A 33 -17.195 0.695 6.130 1.00 43.23 H new ATOM 0 HB1 ALA A 33 -18.436 -1.371 6.577 1.00 24.31 H new ATOM 0 HB2 ALA A 33 -19.538 0.012 6.377 1.00 24.31 H new ATOM 0 HB3 ALA A 33 -19.339 -1.165 5.057 1.00 24.31 H new ATOM 481 N PRO A 34 -15.398 -0.664 4.955 1.00 44.54 N ATOM 482 CA PRO A 34 -14.369 -1.497 4.310 1.00 72.53 C ATOM 483 C PRO A 34 -14.715 -2.981 4.420 1.00 73.21 C ATOM 484 O PRO A 34 -15.253 -3.433 5.452 1.00 15.54 O ATOM 485 CB PRO A 34 -13.101 -1.193 5.120 1.00 53.11 C ATOM 486 CG PRO A 34 -13.354 0.135 5.739 1.00 41.44 C ATOM 487 CD PRO A 34 -14.829 0.188 6.015 1.00 51.11 C ATOM 0 HA PRO A 34 -14.267 -1.284 3.246 1.00 72.53 H new ATOM 0 HB2 PRO A 34 -12.924 -1.956 5.878 1.00 53.11 H new ATOM 0 HB3 PRO A 34 -12.219 -1.169 4.480 1.00 53.11 H new ATOM 0 HG2 PRO A 34 -12.780 0.253 6.658 1.00 41.44 H new ATOM 0 HG3 PRO A 34 -13.053 0.941 5.070 1.00 41.44 H new ATOM 0 HD2 PRO A 34 -15.067 -0.192 7.009 1.00 51.11 H new ATOM 0 HD3 PRO A 34 -15.213 1.207 5.963 1.00 51.11 H new ATOM 495 N ALA A 35 -14.435 -3.727 3.381 1.00 31.33 N ATOM 496 CA ALA A 35 -14.741 -5.137 3.352 1.00 52.34 C ATOM 497 C ALA A 35 -13.517 -5.944 3.715 1.00 62.52 C ATOM 498 O ALA A 35 -12.462 -5.788 3.106 1.00 60.05 O ATOM 499 CB ALA A 35 -15.249 -5.535 1.975 1.00 71.12 C ATOM 0 H ALA A 35 -13.990 -3.376 2.533 1.00 31.33 H new ATOM 0 HA ALA A 35 -15.522 -5.342 4.084 1.00 52.34 H new ATOM 0 HB1 ALA A 35 -15.477 -6.601 1.965 1.00 71.12 H new ATOM 0 HB2 ALA A 35 -16.151 -4.969 1.742 1.00 71.12 H new ATOM 0 HB3 ALA A 35 -14.484 -5.321 1.229 1.00 71.12 H new ATOM 505 N SER A 36 -13.664 -6.796 4.691 1.00 34.34 N ATOM 506 CA SER A 36 -12.598 -7.627 5.154 1.00 35.44 C ATOM 507 C SER A 36 -13.161 -9.026 5.399 1.00 62.11 C ATOM 508 O SER A 36 -13.607 -9.347 6.494 1.00 50.12 O ATOM 509 CB SER A 36 -11.990 -7.018 6.446 1.00 62.41 C ATOM 510 OG SER A 36 -10.854 -7.738 6.900 1.00 54.12 O ATOM 0 H SER A 36 -14.542 -6.931 5.192 1.00 34.34 H new ATOM 0 HA SER A 36 -11.799 -7.691 4.415 1.00 35.44 H new ATOM 0 HB2 SER A 36 -11.709 -5.982 6.259 1.00 62.41 H new ATOM 0 HB3 SER A 36 -12.747 -7.006 7.230 1.00 62.41 H new ATOM 0 HG SER A 36 -10.257 -7.917 6.144 1.00 54.12 H new ATOM 516 N THR A 37 -13.219 -9.818 4.365 1.00 72.20 N ATOM 517 CA THR A 37 -13.810 -11.128 4.472 1.00 43.20 C ATOM 518 C THR A 37 -12.729 -12.213 4.575 1.00 41.34 C ATOM 519 O THR A 37 -12.866 -13.185 5.325 1.00 34.12 O ATOM 520 CB THR A 37 -14.738 -11.375 3.264 1.00 41.22 C ATOM 521 OG1 THR A 37 -15.605 -10.226 3.114 1.00 32.45 O ATOM 522 CG2 THR A 37 -15.596 -12.619 3.478 1.00 12.24 C ATOM 0 H THR A 37 -12.865 -9.582 3.438 1.00 72.20 H new ATOM 0 HA THR A 37 -14.403 -11.177 5.385 1.00 43.20 H new ATOM 0 HB THR A 37 -14.129 -11.526 2.373 1.00 41.22 H new ATOM 0 HG1 THR A 37 -16.202 -10.364 2.349 1.00 32.45 H new ATOM 0 HG21 THR A 37 -16.240 -12.770 2.612 1.00 12.24 H new ATOM 0 HG22 THR A 37 -14.951 -13.488 3.606 1.00 12.24 H new ATOM 0 HG23 THR A 37 -16.210 -12.489 4.369 1.00 12.24 H new ATOM 530 N GLY A 38 -11.648 -12.015 3.871 1.00 61.34 N ATOM 531 CA GLY A 38 -10.580 -12.985 3.860 1.00 24.41 C ATOM 532 C GLY A 38 -9.317 -12.437 4.457 1.00 4.02 C ATOM 533 O GLY A 38 -8.310 -12.313 3.786 1.00 24.45 O ATOM 0 H GLY A 38 -11.481 -11.190 3.295 1.00 61.34 H new ATOM 0 HA2 GLY A 38 -10.889 -13.871 4.415 1.00 24.41 H new ATOM 0 HA3 GLY A 38 -10.389 -13.302 2.835 1.00 24.41 H new ATOM 537 N ALA A 39 -9.373 -12.085 5.711 1.00 24.51 N ATOM 538 CA ALA A 39 -8.232 -11.521 6.399 1.00 31.15 C ATOM 539 C ALA A 39 -7.397 -12.602 7.056 1.00 43.42 C ATOM 540 O ALA A 39 -6.191 -12.458 7.204 1.00 61.42 O ATOM 541 CB ALA A 39 -8.702 -10.527 7.440 1.00 22.52 C ATOM 0 H ALA A 39 -10.208 -12.178 6.290 1.00 24.51 H new ATOM 0 HA ALA A 39 -7.608 -11.013 5.664 1.00 31.15 H new ATOM 0 HB1 ALA A 39 -7.839 -10.105 7.956 1.00 22.52 H new ATOM 0 HB2 ALA A 39 -9.261 -9.728 6.954 1.00 22.52 H new ATOM 0 HB3 ALA A 39 -9.344 -11.032 8.161 1.00 22.52 H new ATOM 547 N GLU A 40 -8.039 -13.686 7.422 1.00 32.45 N ATOM 548 CA GLU A 40 -7.377 -14.760 8.154 1.00 3.22 C ATOM 549 C GLU A 40 -6.825 -15.839 7.227 1.00 42.13 C ATOM 550 O GLU A 40 -6.150 -16.755 7.682 1.00 41.33 O ATOM 551 CB GLU A 40 -8.374 -15.436 9.099 1.00 42.23 C ATOM 552 CG GLU A 40 -9.544 -16.090 8.362 1.00 41.31 C ATOM 553 CD GLU A 40 -10.318 -17.045 9.219 1.00 71.11 C ATOM 554 OE1 GLU A 40 -9.876 -18.188 9.388 1.00 1.24 O ATOM 555 OE2 GLU A 40 -11.394 -16.687 9.722 1.00 72.42 O ATOM 0 H GLU A 40 -9.026 -13.856 7.227 1.00 32.45 H new ATOM 0 HA GLU A 40 -6.552 -14.302 8.700 1.00 3.22 H new ATOM 0 HB2 GLU A 40 -7.854 -16.192 9.687 1.00 42.23 H new ATOM 0 HB3 GLU A 40 -8.761 -14.697 9.800 1.00 42.23 H new ATOM 0 HG2 GLU A 40 -10.215 -15.313 7.996 1.00 41.31 H new ATOM 0 HG3 GLU A 40 -9.165 -16.620 7.489 1.00 41.31 H new ATOM 562 N ASN A 41 -7.095 -15.733 5.950 1.00 1.20 N ATOM 563 CA ASN A 41 -6.814 -16.844 5.053 1.00 10.20 C ATOM 564 C ASN A 41 -5.368 -16.924 4.647 1.00 73.03 C ATOM 565 O ASN A 41 -4.793 -18.012 4.672 1.00 60.15 O ATOM 566 CB ASN A 41 -7.713 -16.793 3.820 1.00 1.33 C ATOM 567 CG ASN A 41 -9.181 -16.941 4.151 1.00 43.51 C ATOM 568 OD1 ASN A 41 -9.872 -15.961 4.416 1.00 32.33 O ATOM 569 ND2 ASN A 41 -9.672 -18.149 4.143 1.00 14.14 N ATOM 0 H ASN A 41 -7.501 -14.909 5.507 1.00 1.20 H new ATOM 0 HA ASN A 41 -7.033 -17.751 5.616 1.00 10.20 H new ATOM 0 HB2 ASN A 41 -7.557 -15.846 3.302 1.00 1.33 H new ATOM 0 HB3 ASN A 41 -7.420 -17.585 3.131 1.00 1.33 H new ATOM 0 HD21 ASN A 41 -10.657 -18.301 4.361 1.00 14.14 H new ATOM 0 HD22 ASN A 41 -9.071 -18.942 3.919 1.00 14.14 H new ATOM 576 N LEU A 42 -4.779 -15.770 4.313 1.00 63.53 N ATOM 577 CA LEU A 42 -3.358 -15.655 3.932 1.00 22.24 C ATOM 578 C LEU A 42 -2.916 -16.804 2.978 1.00 4.12 C ATOM 579 O LEU A 42 -2.094 -17.635 3.362 1.00 13.02 O ATOM 580 CB LEU A 42 -2.477 -15.646 5.200 1.00 3.40 C ATOM 581 CG LEU A 42 -2.732 -14.520 6.216 1.00 4.11 C ATOM 582 CD1 LEU A 42 -1.848 -14.704 7.439 1.00 11.52 C ATOM 583 CD2 LEU A 42 -2.482 -13.156 5.593 1.00 13.30 C ATOM 0 H LEU A 42 -5.276 -14.879 4.298 1.00 63.53 H new ATOM 0 HA LEU A 42 -3.232 -14.717 3.391 1.00 22.24 H new ATOM 0 HB2 LEU A 42 -2.608 -16.600 5.711 1.00 3.40 H new ATOM 0 HB3 LEU A 42 -1.434 -15.592 4.888 1.00 3.40 H new ATOM 0 HG LEU A 42 -3.777 -14.570 6.521 1.00 4.11 H new ATOM 0 HD11 LEU A 42 -2.039 -13.900 8.150 1.00 11.52 H new ATOM 0 HD12 LEU A 42 -2.070 -15.663 7.907 1.00 11.52 H new ATOM 0 HD13 LEU A 42 -0.801 -14.681 7.138 1.00 11.52 H new ATOM 0 HD21 LEU A 42 -2.670 -12.378 6.333 1.00 13.30 H new ATOM 0 HD22 LEU A 42 -1.447 -13.094 5.256 1.00 13.30 H new ATOM 0 HD23 LEU A 42 -3.150 -13.016 4.743 1.00 13.30 H new ATOM 595 N PRO A 43 -3.469 -16.866 1.728 1.00 34.14 N ATOM 596 CA PRO A 43 -3.237 -17.986 0.787 1.00 31.14 C ATOM 597 C PRO A 43 -1.769 -18.321 0.575 1.00 63.34 C ATOM 598 O PRO A 43 -1.283 -19.331 1.056 1.00 4.15 O ATOM 599 CB PRO A 43 -3.884 -17.528 -0.531 1.00 34.12 C ATOM 600 CG PRO A 43 -4.220 -16.091 -0.336 1.00 63.52 C ATOM 601 CD PRO A 43 -4.370 -15.869 1.140 1.00 11.22 C ATOM 0 HA PRO A 43 -3.665 -18.906 1.185 1.00 31.14 H new ATOM 0 HB2 PRO A 43 -3.200 -17.660 -1.370 1.00 34.12 H new ATOM 0 HB3 PRO A 43 -4.777 -18.112 -0.753 1.00 34.12 H new ATOM 0 HG2 PRO A 43 -3.436 -15.453 -0.744 1.00 63.52 H new ATOM 0 HG3 PRO A 43 -5.142 -15.837 -0.859 1.00 63.52 H new ATOM 0 HD2 PRO A 43 -4.088 -14.855 1.424 1.00 11.22 H new ATOM 0 HD3 PRO A 43 -5.400 -16.016 1.466 1.00 11.22 H new ATOM 609 N ALA A 44 -1.060 -17.462 -0.096 1.00 60.30 N ATOM 610 CA ALA A 44 0.332 -17.711 -0.359 1.00 61.15 C ATOM 611 C ALA A 44 1.207 -16.994 0.658 1.00 24.41 C ATOM 612 O ALA A 44 2.421 -16.972 0.535 1.00 3.43 O ATOM 613 CB ALA A 44 0.672 -17.290 -1.780 1.00 51.41 C ATOM 0 H ALA A 44 -1.419 -16.584 -0.472 1.00 60.30 H new ATOM 0 HA ALA A 44 0.528 -18.779 -0.263 1.00 61.15 H new ATOM 0 HB1 ALA A 44 1.728 -17.481 -1.973 1.00 51.41 H new ATOM 0 HB2 ALA A 44 0.065 -17.860 -2.483 1.00 51.41 H new ATOM 0 HB3 ALA A 44 0.467 -16.227 -1.903 1.00 51.41 H new ATOM 619 N GLY A 45 0.566 -16.419 1.680 1.00 14.11 N ATOM 620 CA GLY A 45 1.280 -15.670 2.714 1.00 41.41 C ATOM 621 C GLY A 45 1.812 -14.351 2.187 1.00 54.51 C ATOM 622 O GLY A 45 2.673 -13.718 2.797 1.00 32.13 O ATOM 0 H GLY A 45 -0.445 -16.459 1.812 1.00 14.11 H new ATOM 0 HA2 GLY A 45 0.612 -15.483 3.554 1.00 41.41 H new ATOM 0 HA3 GLY A 45 2.107 -16.271 3.092 1.00 41.41 H new ATOM 626 N SER A 46 1.285 -13.950 1.068 1.00 71.24 N ATOM 627 CA SER A 46 1.690 -12.780 0.376 1.00 4.51 C ATOM 628 C SER A 46 0.572 -11.758 0.336 1.00 11.24 C ATOM 629 O SER A 46 -0.629 -12.107 0.390 1.00 32.33 O ATOM 630 CB SER A 46 2.073 -13.203 -1.024 1.00 24.14 C ATOM 631 OG SER A 46 1.167 -14.211 -1.466 1.00 63.42 O ATOM 0 H SER A 46 0.532 -14.455 0.601 1.00 71.24 H new ATOM 0 HA SER A 46 2.532 -12.310 0.884 1.00 4.51 H new ATOM 0 HB2 SER A 46 2.042 -12.347 -1.698 1.00 24.14 H new ATOM 0 HB3 SER A 46 3.095 -13.583 -1.037 1.00 24.14 H new ATOM 0 HG SER A 46 0.636 -13.868 -2.215 1.00 63.42 H new ATOM 637 N ALA A 47 0.950 -10.522 0.223 1.00 74.24 N ATOM 638 CA ALA A 47 0.019 -9.442 0.202 1.00 23.44 C ATOM 639 C ALA A 47 0.496 -8.373 -0.734 1.00 71.22 C ATOM 640 O ALA A 47 1.702 -8.285 -1.040 1.00 3.43 O ATOM 641 CB ALA A 47 -0.153 -8.871 1.598 1.00 12.12 C ATOM 0 H ALA A 47 1.925 -10.234 0.142 1.00 74.24 H new ATOM 0 HA ALA A 47 -0.944 -9.815 -0.146 1.00 23.44 H new ATOM 0 HB1 ALA A 47 -0.866 -8.047 1.569 1.00 12.12 H new ATOM 0 HB2 ALA A 47 -0.524 -9.648 2.266 1.00 12.12 H new ATOM 0 HB3 ALA A 47 0.807 -8.507 1.963 1.00 12.12 H new ATOM 647 N LEU A 48 -0.426 -7.594 -1.210 1.00 31.31 N ATOM 648 CA LEU A 48 -0.119 -6.479 -2.041 1.00 44.31 C ATOM 649 C LEU A 48 -0.951 -5.297 -1.612 1.00 30.05 C ATOM 650 O LEU A 48 -1.967 -5.458 -0.917 1.00 72.43 O ATOM 651 CB LEU A 48 -0.272 -6.806 -3.579 1.00 21.53 C ATOM 652 CG LEU A 48 -1.664 -7.184 -4.172 1.00 44.45 C ATOM 653 CD1 LEU A 48 -2.616 -5.998 -4.230 1.00 1.43 C ATOM 654 CD2 LEU A 48 -1.494 -7.767 -5.563 1.00 51.10 C ATOM 0 H LEU A 48 -1.422 -7.719 -1.029 1.00 31.31 H new ATOM 0 HA LEU A 48 0.934 -6.228 -1.912 1.00 44.31 H new ATOM 0 HB2 LEU A 48 0.088 -5.937 -4.130 1.00 21.53 H new ATOM 0 HB3 LEU A 48 0.407 -7.629 -3.802 1.00 21.53 H new ATOM 0 HG LEU A 48 -2.104 -7.925 -3.505 1.00 44.45 H new ATOM 0 HD11 LEU A 48 -3.570 -6.317 -4.651 1.00 1.43 H new ATOM 0 HD12 LEU A 48 -2.775 -5.610 -3.224 1.00 1.43 H new ATOM 0 HD13 LEU A 48 -2.186 -5.217 -4.857 1.00 1.43 H new ATOM 0 HD21 LEU A 48 -2.471 -8.028 -5.970 1.00 51.10 H new ATOM 0 HD22 LEU A 48 -1.016 -7.031 -6.210 1.00 51.10 H new ATOM 0 HD23 LEU A 48 -0.872 -8.661 -5.509 1.00 51.10 H new ATOM 666 N LEU A 49 -0.534 -4.143 -1.987 1.00 24.11 N ATOM 667 CA LEU A 49 -1.286 -2.963 -1.716 1.00 72.35 C ATOM 668 C LEU A 49 -1.605 -2.298 -3.019 1.00 52.40 C ATOM 669 O LEU A 49 -0.731 -2.163 -3.893 1.00 75.00 O ATOM 670 CB LEU A 49 -0.584 -1.980 -0.742 1.00 33.11 C ATOM 671 CG LEU A 49 0.772 -1.369 -1.159 1.00 54.42 C ATOM 672 CD1 LEU A 49 1.097 -0.192 -0.265 1.00 41.15 C ATOM 673 CD2 LEU A 49 1.893 -2.388 -1.047 1.00 33.15 C ATOM 0 H LEU A 49 0.338 -3.985 -2.491 1.00 24.11 H new ATOM 0 HA LEU A 49 -2.199 -3.260 -1.201 1.00 72.35 H new ATOM 0 HB2 LEU A 49 -1.272 -1.157 -0.549 1.00 33.11 H new ATOM 0 HB3 LEU A 49 -0.436 -2.501 0.204 1.00 33.11 H new ATOM 0 HG LEU A 49 0.689 -1.048 -2.197 1.00 54.42 H new ATOM 0 HD11 LEU A 49 2.054 0.237 -0.562 1.00 41.15 H new ATOM 0 HD12 LEU A 49 0.316 0.563 -0.359 1.00 41.15 H new ATOM 0 HD13 LEU A 49 1.155 -0.527 0.771 1.00 41.15 H new ATOM 0 HD21 LEU A 49 2.834 -1.928 -1.347 1.00 33.15 H new ATOM 0 HD22 LEU A 49 1.970 -2.732 -0.016 1.00 33.15 H new ATOM 0 HD23 LEU A 49 1.680 -3.236 -1.698 1.00 33.15 H new ATOM 685 N VAL A 50 -2.832 -1.941 -3.184 1.00 5.22 N ATOM 686 CA VAL A 50 -3.266 -1.306 -4.378 1.00 72.13 C ATOM 687 C VAL A 50 -3.680 0.115 -4.067 1.00 72.14 C ATOM 688 O VAL A 50 -4.411 0.374 -3.094 1.00 34.44 O ATOM 689 CB VAL A 50 -4.409 -2.106 -5.100 1.00 40.44 C ATOM 690 CG1 VAL A 50 -5.641 -2.281 -4.215 1.00 12.32 C ATOM 691 CG2 VAL A 50 -4.782 -1.461 -6.434 1.00 74.31 C ATOM 0 H VAL A 50 -3.566 -2.083 -2.490 1.00 5.22 H new ATOM 0 HA VAL A 50 -2.433 -1.286 -5.081 1.00 72.13 H new ATOM 0 HB VAL A 50 -4.015 -3.102 -5.303 1.00 40.44 H new ATOM 0 HG11 VAL A 50 -6.403 -2.840 -4.758 1.00 12.32 H new ATOM 0 HG12 VAL A 50 -5.366 -2.826 -3.312 1.00 12.32 H new ATOM 0 HG13 VAL A 50 -6.035 -1.302 -3.942 1.00 12.32 H new ATOM 0 HG21 VAL A 50 -5.575 -2.039 -6.908 1.00 74.31 H new ATOM 0 HG22 VAL A 50 -5.129 -0.442 -6.261 1.00 74.31 H new ATOM 0 HG23 VAL A 50 -3.908 -1.441 -7.086 1.00 74.31 H new ATOM 701 N VAL A 51 -3.170 1.032 -4.824 1.00 34.53 N ATOM 702 CA VAL A 51 -3.515 2.409 -4.647 1.00 13.12 C ATOM 703 C VAL A 51 -4.847 2.607 -5.321 1.00 24.24 C ATOM 704 O VAL A 51 -4.976 2.406 -6.524 1.00 65.13 O ATOM 705 CB VAL A 51 -2.438 3.331 -5.258 1.00 44.34 C ATOM 706 CG1 VAL A 51 -2.706 4.790 -4.915 1.00 61.21 C ATOM 707 CG2 VAL A 51 -1.052 2.907 -4.781 1.00 70.42 C ATOM 0 H VAL A 51 -2.507 0.852 -5.578 1.00 34.53 H new ATOM 0 HA VAL A 51 -3.574 2.665 -3.589 1.00 13.12 H new ATOM 0 HB VAL A 51 -2.478 3.234 -6.343 1.00 44.34 H new ATOM 0 HG11 VAL A 51 -1.932 5.416 -5.358 1.00 61.21 H new ATOM 0 HG12 VAL A 51 -3.679 5.083 -5.308 1.00 61.21 H new ATOM 0 HG13 VAL A 51 -2.699 4.916 -3.832 1.00 61.21 H new ATOM 0 HG21 VAL A 51 -0.300 3.564 -5.218 1.00 70.42 H new ATOM 0 HG22 VAL A 51 -1.005 2.974 -3.694 1.00 70.42 H new ATOM 0 HG23 VAL A 51 -0.860 1.879 -5.090 1.00 70.42 H new ATOM 717 N LYS A 52 -5.823 2.978 -4.550 1.00 64.23 N ATOM 718 CA LYS A 52 -7.178 3.044 -5.023 1.00 42.42 C ATOM 719 C LYS A 52 -7.483 4.446 -5.499 1.00 15.13 C ATOM 720 O LYS A 52 -8.252 4.664 -6.436 1.00 14.33 O ATOM 721 CB LYS A 52 -8.112 2.646 -3.880 1.00 42.45 C ATOM 722 CG LYS A 52 -9.532 2.323 -4.291 1.00 10.41 C ATOM 723 CD LYS A 52 -9.574 1.100 -5.198 1.00 11.13 C ATOM 724 CE LYS A 52 -10.995 0.700 -5.523 1.00 31.22 C ATOM 725 NZ LYS A 52 -11.754 0.314 -4.314 1.00 1.43 N ATOM 0 H LYS A 52 -5.705 3.245 -3.573 1.00 64.23 H new ATOM 0 HA LYS A 52 -7.321 2.361 -5.861 1.00 42.42 H new ATOM 0 HB2 LYS A 52 -7.691 1.777 -3.374 1.00 42.45 H new ATOM 0 HB3 LYS A 52 -8.137 3.458 -3.153 1.00 42.45 H new ATOM 0 HG2 LYS A 52 -10.139 2.143 -3.404 1.00 10.41 H new ATOM 0 HG3 LYS A 52 -9.968 3.178 -4.807 1.00 10.41 H new ATOM 0 HD2 LYS A 52 -9.034 1.312 -6.121 1.00 11.13 H new ATOM 0 HD3 LYS A 52 -9.063 0.268 -4.713 1.00 11.13 H new ATOM 0 HE2 LYS A 52 -11.500 1.529 -6.019 1.00 31.22 H new ATOM 0 HE3 LYS A 52 -10.985 -0.133 -6.226 1.00 31.22 H new ATOM 0 HZ1 LYS A 52 -12.604 -0.217 -4.592 1.00 1.43 H new ATOM 0 HZ2 LYS A 52 -11.157 -0.282 -3.705 1.00 1.43 H new ATOM 0 HZ3 LYS A 52 -12.035 1.169 -3.793 1.00 1.43 H new ATOM 739 N ARG A 53 -6.865 5.396 -4.874 1.00 44.25 N ATOM 740 CA ARG A 53 -7.085 6.759 -5.232 1.00 75.30 C ATOM 741 C ARG A 53 -5.767 7.471 -5.143 1.00 1.41 C ATOM 742 O ARG A 53 -4.929 7.077 -4.343 1.00 42.50 O ATOM 743 CB ARG A 53 -8.109 7.403 -4.289 1.00 75.42 C ATOM 744 CG ARG A 53 -8.851 8.589 -4.889 1.00 31.13 C ATOM 745 CD ARG A 53 -9.975 8.150 -5.851 1.00 32.23 C ATOM 746 NE ARG A 53 -9.534 7.231 -6.929 1.00 23.40 N ATOM 747 CZ ARG A 53 -9.713 7.442 -8.240 1.00 34.12 C ATOM 748 NH1 ARG A 53 -10.439 8.478 -8.654 1.00 43.33 N ATOM 749 NH2 ARG A 53 -9.208 6.585 -9.132 1.00 60.42 N ATOM 0 H ARG A 53 -6.203 5.252 -4.112 1.00 44.25 H new ATOM 0 HA ARG A 53 -7.484 6.826 -6.244 1.00 75.30 H new ATOM 0 HB2 ARG A 53 -8.836 6.648 -3.990 1.00 75.42 H new ATOM 0 HB3 ARG A 53 -7.597 7.729 -3.384 1.00 75.42 H new ATOM 0 HG2 ARG A 53 -9.277 9.192 -4.087 1.00 31.13 H new ATOM 0 HG3 ARG A 53 -8.145 9.224 -5.424 1.00 31.13 H new ATOM 0 HD2 ARG A 53 -10.761 7.663 -5.274 1.00 32.23 H new ATOM 0 HD3 ARG A 53 -10.416 9.038 -6.305 1.00 32.23 H new ATOM 0 HE ARG A 53 -9.058 6.373 -6.651 1.00 23.40 H new ATOM 0 HH11 ARG A 53 -10.859 9.111 -7.973 1.00 43.33 H new ATOM 0 HH12 ARG A 53 -10.575 8.639 -9.652 1.00 43.33 H new ATOM 0 HH21 ARG A 53 -8.685 5.768 -8.815 1.00 60.42 H new ATOM 0 HH22 ARG A 53 -9.345 6.747 -10.130 1.00 60.42 H new ATOM 763 N GLY A 54 -5.563 8.459 -5.975 1.00 70.45 N ATOM 764 CA GLY A 54 -4.337 9.204 -5.963 1.00 73.24 C ATOM 765 C GLY A 54 -3.775 9.341 -7.347 1.00 41.40 C ATOM 766 O GLY A 54 -4.375 8.839 -8.297 1.00 2.30 O ATOM 0 H GLY A 54 -6.239 8.766 -6.675 1.00 70.45 H new ATOM 0 HA2 GLY A 54 -4.513 10.193 -5.539 1.00 73.24 H new ATOM 0 HA3 GLY A 54 -3.611 8.706 -5.320 1.00 73.24 H new ATOM 770 N PRO A 55 -2.630 10.003 -7.517 1.00 73.31 N ATOM 771 CA PRO A 55 -2.010 10.161 -8.836 1.00 61.54 C ATOM 772 C PRO A 55 -1.509 8.816 -9.370 1.00 44.12 C ATOM 773 O PRO A 55 -1.632 8.507 -10.546 1.00 61.33 O ATOM 774 CB PRO A 55 -0.824 11.102 -8.565 1.00 74.43 C ATOM 775 CG PRO A 55 -1.125 11.732 -7.246 1.00 13.32 C ATOM 776 CD PRO A 55 -1.857 10.690 -6.462 1.00 40.24 C ATOM 0 HA PRO A 55 -2.704 10.546 -9.583 1.00 61.54 H new ATOM 0 HB2 PRO A 55 0.117 10.553 -8.534 1.00 74.43 H new ATOM 0 HB3 PRO A 55 -0.729 11.853 -9.349 1.00 74.43 H new ATOM 0 HG2 PRO A 55 -0.209 12.034 -6.738 1.00 13.32 H new ATOM 0 HG3 PRO A 55 -1.732 12.629 -7.369 1.00 13.32 H new ATOM 0 HD2 PRO A 55 -1.176 10.012 -5.948 1.00 40.24 H new ATOM 0 HD3 PRO A 55 -2.503 11.129 -5.702 1.00 40.24 H new ATOM 784 N ASN A 56 -0.983 8.017 -8.475 1.00 71.31 N ATOM 785 CA ASN A 56 -0.438 6.703 -8.792 1.00 1.32 C ATOM 786 C ASN A 56 -1.476 5.590 -8.536 1.00 53.41 C ATOM 787 O ASN A 56 -1.130 4.419 -8.362 1.00 11.11 O ATOM 788 CB ASN A 56 0.865 6.491 -7.991 1.00 40.21 C ATOM 789 CG ASN A 56 0.689 6.658 -6.490 1.00 25.44 C ATOM 790 OD1 ASN A 56 0.732 7.777 -5.968 1.00 22.34 O ATOM 791 ND2 ASN A 56 0.542 5.581 -5.793 1.00 0.02 N ATOM 0 H ASN A 56 -0.916 8.258 -7.486 1.00 71.31 H new ATOM 0 HA ASN A 56 -0.199 6.652 -9.854 1.00 1.32 H new ATOM 0 HB2 ASN A 56 1.249 5.491 -8.195 1.00 40.21 H new ATOM 0 HB3 ASN A 56 1.617 7.198 -8.341 1.00 40.21 H new ATOM 0 HD21 ASN A 56 0.457 5.638 -4.778 1.00 0.02 H new ATOM 0 HD22 ASN A 56 0.511 4.673 -6.257 1.00 0.02 H new ATOM 798 N ALA A 57 -2.750 5.974 -8.544 1.00 34.44 N ATOM 799 CA ALA A 57 -3.867 5.057 -8.320 1.00 61.22 C ATOM 800 C ALA A 57 -4.014 4.081 -9.462 1.00 63.30 C ATOM 801 O ALA A 57 -3.775 4.427 -10.624 1.00 52.41 O ATOM 802 CB ALA A 57 -5.160 5.814 -8.146 1.00 74.03 C ATOM 0 H ALA A 57 -3.040 6.938 -8.707 1.00 34.44 H new ATOM 0 HA ALA A 57 -3.648 4.503 -7.407 1.00 61.22 H new ATOM 0 HB1 ALA A 57 -5.975 5.109 -7.981 1.00 74.03 H new ATOM 0 HB2 ALA A 57 -5.078 6.482 -7.288 1.00 74.03 H new ATOM 0 HB3 ALA A 57 -5.363 6.399 -9.043 1.00 74.03 H new ATOM 808 N GLY A 58 -4.388 2.875 -9.130 1.00 15.11 N ATOM 809 CA GLY A 58 -4.564 1.843 -10.108 1.00 63.15 C ATOM 810 C GLY A 58 -3.434 0.862 -10.067 1.00 55.24 C ATOM 811 O GLY A 58 -3.573 -0.282 -10.491 1.00 50.41 O ATOM 0 H GLY A 58 -4.579 2.583 -8.172 1.00 15.11 H new ATOM 0 HA2 GLY A 58 -5.506 1.325 -9.929 1.00 63.15 H new ATOM 0 HA3 GLY A 58 -4.628 2.287 -11.102 1.00 63.15 H new ATOM 815 N ALA A 59 -2.314 1.304 -9.542 1.00 70.24 N ATOM 816 CA ALA A 59 -1.139 0.473 -9.463 1.00 30.22 C ATOM 817 C ALA A 59 -1.164 -0.374 -8.205 1.00 50.43 C ATOM 818 O ALA A 59 -1.625 0.081 -7.138 1.00 63.51 O ATOM 819 CB ALA A 59 0.120 1.328 -9.501 1.00 62.14 C ATOM 0 H ALA A 59 -2.194 2.243 -9.161 1.00 70.24 H new ATOM 0 HA ALA A 59 -1.134 -0.194 -10.325 1.00 30.22 H new ATOM 0 HB1 ALA A 59 0.998 0.685 -9.440 1.00 62.14 H new ATOM 0 HB2 ALA A 59 0.148 1.894 -10.432 1.00 62.14 H new ATOM 0 HB3 ALA A 59 0.117 2.018 -8.657 1.00 62.14 H new ATOM 825 N ARG A 60 -0.706 -1.600 -8.325 1.00 62.21 N ATOM 826 CA ARG A 60 -0.605 -2.480 -7.199 1.00 1.52 C ATOM 827 C ARG A 60 0.832 -2.902 -6.991 1.00 50.14 C ATOM 828 O ARG A 60 1.559 -3.154 -7.953 1.00 22.24 O ATOM 829 CB ARG A 60 -1.605 -3.679 -7.263 1.00 61.44 C ATOM 830 CG ARG A 60 -1.616 -4.575 -8.529 1.00 31.53 C ATOM 831 CD ARG A 60 -0.354 -5.421 -8.704 1.00 72.12 C ATOM 832 NE ARG A 60 -0.519 -6.444 -9.745 1.00 44.15 N ATOM 833 CZ ARG A 60 0.335 -7.449 -9.989 1.00 33.05 C ATOM 834 NH1 ARG A 60 1.570 -7.418 -9.482 1.00 51.01 N ATOM 835 NH2 ARG A 60 -0.026 -8.436 -10.806 1.00 30.20 N ATOM 0 H ARG A 60 -0.396 -2.008 -9.207 1.00 62.21 H new ATOM 0 HA ARG A 60 -0.913 -1.925 -6.313 1.00 1.52 H new ATOM 0 HB2 ARG A 60 -1.405 -4.322 -6.405 1.00 61.44 H new ATOM 0 HB3 ARG A 60 -2.610 -3.278 -7.134 1.00 61.44 H new ATOM 0 HG2 ARG A 60 -2.481 -5.237 -8.486 1.00 31.53 H new ATOM 0 HG3 ARG A 60 -1.742 -3.943 -9.408 1.00 31.53 H new ATOM 0 HD2 ARG A 60 0.484 -4.773 -8.961 1.00 72.12 H new ATOM 0 HD3 ARG A 60 -0.106 -5.903 -7.758 1.00 72.12 H new ATOM 0 HE ARG A 60 -1.352 -6.385 -10.331 1.00 44.15 H new ATOM 0 HH11 ARG A 60 1.866 -6.629 -8.908 1.00 51.01 H new ATOM 0 HH12 ARG A 60 2.217 -8.184 -9.669 1.00 51.01 H new ATOM 0 HH21 ARG A 60 -0.948 -8.425 -11.243 1.00 30.20 H new ATOM 0 HH22 ARG A 60 0.619 -9.203 -10.995 1.00 30.20 H new ATOM 849 N PHE A 61 1.250 -2.942 -5.762 1.00 54.20 N ATOM 850 CA PHE A 61 2.616 -3.288 -5.436 1.00 21.13 C ATOM 851 C PHE A 61 2.628 -4.491 -4.520 1.00 64.03 C ATOM 852 O PHE A 61 1.857 -4.542 -3.567 1.00 63.21 O ATOM 853 CB PHE A 61 3.311 -2.111 -4.745 1.00 50.11 C ATOM 854 CG PHE A 61 3.374 -0.840 -5.557 1.00 31.21 C ATOM 855 CD1 PHE A 61 4.432 -0.607 -6.420 1.00 34.15 C ATOM 856 CD2 PHE A 61 2.378 0.121 -5.450 1.00 4.30 C ATOM 857 CE1 PHE A 61 4.498 0.558 -7.159 1.00 14.41 C ATOM 858 CE2 PHE A 61 2.440 1.288 -6.186 1.00 64.24 C ATOM 859 CZ PHE A 61 3.499 1.506 -7.043 1.00 61.10 C ATOM 0 H PHE A 61 0.662 -2.738 -4.954 1.00 54.20 H new ATOM 0 HA PHE A 61 3.150 -3.523 -6.357 1.00 21.13 H new ATOM 0 HB2 PHE A 61 2.793 -1.901 -3.809 1.00 50.11 H new ATOM 0 HB3 PHE A 61 4.327 -2.410 -4.486 1.00 50.11 H new ATOM 0 HD1 PHE A 61 5.215 -1.345 -6.516 1.00 34.15 H new ATOM 0 HD2 PHE A 61 1.545 -0.046 -4.783 1.00 4.30 H new ATOM 0 HE1 PHE A 61 5.330 0.728 -7.827 1.00 14.41 H new ATOM 0 HE2 PHE A 61 1.660 2.029 -6.091 1.00 64.24 H new ATOM 0 HZ PHE A 61 3.547 2.416 -7.622 1.00 61.10 H new ATOM 869 N LEU A 62 3.475 -5.452 -4.808 1.00 42.11 N ATOM 870 CA LEU A 62 3.565 -6.656 -3.993 1.00 10.24 C ATOM 871 C LEU A 62 4.702 -6.535 -2.986 1.00 55.43 C ATOM 872 O LEU A 62 5.735 -5.901 -3.272 1.00 1.30 O ATOM 873 CB LEU A 62 3.702 -7.971 -4.827 1.00 4.55 C ATOM 874 CG LEU A 62 5.009 -8.229 -5.637 1.00 60.40 C ATOM 875 CD1 LEU A 62 5.053 -9.677 -6.094 1.00 1.02 C ATOM 876 CD2 LEU A 62 5.116 -7.326 -6.864 1.00 4.45 C ATOM 0 H LEU A 62 4.116 -5.429 -5.601 1.00 42.11 H new ATOM 0 HA LEU A 62 2.616 -6.736 -3.462 1.00 10.24 H new ATOM 0 HB2 LEU A 62 3.571 -8.808 -4.142 1.00 4.55 H new ATOM 0 HB3 LEU A 62 2.870 -8.001 -5.530 1.00 4.55 H new ATOM 0 HG LEU A 62 5.846 -8.007 -4.975 1.00 60.40 H new ATOM 0 HD11 LEU A 62 5.968 -9.852 -6.660 1.00 1.02 H new ATOM 0 HD12 LEU A 62 5.032 -10.334 -5.224 1.00 1.02 H new ATOM 0 HD13 LEU A 62 4.190 -9.885 -6.726 1.00 1.02 H new ATOM 0 HD21 LEU A 62 6.043 -7.543 -7.396 1.00 4.45 H new ATOM 0 HD22 LEU A 62 4.268 -7.507 -7.524 1.00 4.45 H new ATOM 0 HD23 LEU A 62 5.114 -6.282 -6.549 1.00 4.45 H new ATOM 888 N LEU A 63 4.500 -7.088 -1.815 1.00 62.22 N ATOM 889 CA LEU A 63 5.488 -7.040 -0.757 1.00 43.21 C ATOM 890 C LEU A 63 6.170 -8.397 -0.636 1.00 13.31 C ATOM 891 O LEU A 63 5.522 -9.394 -0.284 1.00 14.45 O ATOM 892 CB LEU A 63 4.815 -6.690 0.576 1.00 73.12 C ATOM 893 CG LEU A 63 3.985 -5.407 0.605 1.00 62.34 C ATOM 894 CD1 LEU A 63 3.378 -5.207 1.977 1.00 1.54 C ATOM 895 CD2 LEU A 63 4.834 -4.214 0.227 1.00 12.14 C ATOM 0 H LEU A 63 3.645 -7.586 -1.565 1.00 62.22 H new ATOM 0 HA LEU A 63 6.228 -6.276 -0.997 1.00 43.21 H new ATOM 0 HB2 LEU A 63 4.169 -7.521 0.860 1.00 73.12 H new ATOM 0 HB3 LEU A 63 5.589 -6.613 1.339 1.00 73.12 H new ATOM 0 HG LEU A 63 3.180 -5.500 -0.124 1.00 62.34 H new ATOM 0 HD11 LEU A 63 2.789 -4.290 1.984 1.00 1.54 H new ATOM 0 HD12 LEU A 63 2.734 -6.053 2.217 1.00 1.54 H new ATOM 0 HD13 LEU A 63 4.173 -5.134 2.719 1.00 1.54 H new ATOM 0 HD21 LEU A 63 4.225 -3.311 0.254 1.00 12.14 H new ATOM 0 HD22 LEU A 63 5.659 -4.116 0.933 1.00 12.14 H new ATOM 0 HD23 LEU A 63 5.231 -4.354 -0.778 1.00 12.14 H new ATOM 907 N ASP A 64 7.449 -8.451 -0.953 1.00 34.24 N ATOM 908 CA ASP A 64 8.195 -9.711 -0.868 1.00 55.12 C ATOM 909 C ASP A 64 9.480 -9.547 -0.062 1.00 53.14 C ATOM 910 O ASP A 64 10.192 -10.522 0.206 1.00 62.44 O ATOM 911 CB ASP A 64 8.510 -10.303 -2.264 1.00 44.21 C ATOM 912 CG ASP A 64 9.525 -9.513 -3.071 1.00 42.24 C ATOM 913 OD1 ASP A 64 9.144 -8.566 -3.775 1.00 14.15 O ATOM 914 OD2 ASP A 64 10.724 -9.855 -3.048 1.00 75.55 O ATOM 0 H ASP A 64 7.997 -7.651 -1.270 1.00 34.24 H new ATOM 0 HA ASP A 64 7.547 -10.416 -0.348 1.00 55.12 H new ATOM 0 HB2 ASP A 64 8.879 -11.321 -2.138 1.00 44.21 H new ATOM 0 HB3 ASP A 64 7.583 -10.368 -2.834 1.00 44.21 H new ATOM 919 N GLN A 65 9.751 -8.347 0.362 1.00 3.30 N ATOM 920 CA GLN A 65 10.941 -8.049 1.117 1.00 11.53 C ATOM 921 C GLN A 65 10.569 -7.783 2.552 1.00 42.41 C ATOM 922 O GLN A 65 9.528 -7.193 2.808 1.00 63.23 O ATOM 923 CB GLN A 65 11.760 -6.853 0.536 1.00 21.21 C ATOM 924 CG GLN A 65 11.101 -5.453 0.513 1.00 32.11 C ATOM 925 CD GLN A 65 9.996 -5.220 -0.529 1.00 41.11 C ATOM 926 OE1 GLN A 65 9.238 -6.114 -0.917 1.00 13.42 O ATOM 927 NE2 GLN A 65 9.935 -4.034 -1.029 1.00 4.12 N ATOM 0 H GLN A 65 9.151 -7.540 0.194 1.00 3.30 H new ATOM 0 HA GLN A 65 11.591 -8.921 1.050 1.00 11.53 H new ATOM 0 HB2 GLN A 65 12.685 -6.775 1.107 1.00 21.21 H new ATOM 0 HB3 GLN A 65 12.037 -7.106 -0.487 1.00 21.21 H new ATOM 0 HG2 GLN A 65 10.682 -5.259 1.500 1.00 32.11 H new ATOM 0 HG3 GLN A 65 11.884 -4.713 0.348 1.00 32.11 H new ATOM 0 HE21 GLN A 65 10.569 -3.307 -0.697 1.00 4.12 H new ATOM 0 HE22 GLN A 65 9.253 -3.822 -1.757 1.00 4.12 H new ATOM 936 N PRO A 66 11.417 -8.220 3.512 1.00 2.54 N ATOM 937 CA PRO A 66 11.156 -8.075 4.950 1.00 23.31 C ATOM 938 C PRO A 66 10.828 -6.642 5.393 1.00 53.54 C ATOM 939 O PRO A 66 10.163 -6.440 6.419 1.00 60.20 O ATOM 940 CB PRO A 66 12.452 -8.558 5.626 1.00 14.11 C ATOM 941 CG PRO A 66 13.458 -8.707 4.532 1.00 64.24 C ATOM 942 CD PRO A 66 12.686 -8.928 3.267 1.00 73.52 C ATOM 0 HA PRO A 66 10.270 -8.647 5.226 1.00 23.31 H new ATOM 0 HB2 PRO A 66 12.792 -7.841 6.374 1.00 14.11 H new ATOM 0 HB3 PRO A 66 12.293 -9.505 6.141 1.00 14.11 H new ATOM 0 HG2 PRO A 66 14.081 -7.816 4.455 1.00 64.24 H new ATOM 0 HG3 PRO A 66 14.125 -9.546 4.731 1.00 64.24 H new ATOM 0 HD2 PRO A 66 13.210 -8.524 2.401 1.00 73.52 H new ATOM 0 HD3 PRO A 66 12.524 -9.989 3.076 1.00 73.52 H new ATOM 950 N THR A 67 11.281 -5.652 4.656 1.00 41.13 N ATOM 951 CA THR A 67 10.989 -4.289 5.015 1.00 31.14 C ATOM 952 C THR A 67 10.762 -3.450 3.762 1.00 43.42 C ATOM 953 O THR A 67 11.610 -3.377 2.882 1.00 2.34 O ATOM 954 CB THR A 67 12.117 -3.695 5.895 1.00 74.20 C ATOM 955 OG1 THR A 67 12.301 -4.552 7.046 1.00 21.33 O ATOM 956 CG2 THR A 67 11.754 -2.294 6.381 1.00 2.13 C ATOM 0 H THR A 67 11.846 -5.766 3.815 1.00 41.13 H new ATOM 0 HA THR A 67 10.072 -4.273 5.605 1.00 31.14 H new ATOM 0 HB THR A 67 13.029 -3.632 5.301 1.00 74.20 H new ATOM 0 HG1 THR A 67 13.014 -4.190 7.613 1.00 21.33 H new ATOM 0 HG21 THR A 67 12.563 -1.901 6.996 1.00 2.13 H new ATOM 0 HG22 THR A 67 11.600 -1.640 5.523 1.00 2.13 H new ATOM 0 HG23 THR A 67 10.839 -2.339 6.971 1.00 2.13 H new ATOM 964 N THR A 68 9.609 -2.859 3.688 1.00 13.22 N ATOM 965 CA THR A 68 9.213 -2.067 2.570 1.00 4.30 C ATOM 966 C THR A 68 8.967 -0.612 3.022 1.00 23.44 C ATOM 967 O THR A 68 8.264 -0.371 4.000 1.00 33.21 O ATOM 968 CB THR A 68 7.911 -2.652 2.017 1.00 24.14 C ATOM 969 OG1 THR A 68 8.072 -4.062 1.804 1.00 43.25 O ATOM 970 CG2 THR A 68 7.524 -1.989 0.724 1.00 24.44 C ATOM 0 H THR A 68 8.903 -2.917 4.422 1.00 13.22 H new ATOM 0 HA THR A 68 9.993 -2.073 1.808 1.00 4.30 H new ATOM 0 HB THR A 68 7.119 -2.473 2.744 1.00 24.14 H new ATOM 0 HG1 THR A 68 7.422 -4.552 2.349 1.00 43.25 H new ATOM 0 HG21 THR A 68 6.596 -2.425 0.355 1.00 24.44 H new ATOM 0 HG22 THR A 68 7.382 -0.921 0.891 1.00 24.44 H new ATOM 0 HG23 THR A 68 8.313 -2.140 -0.013 1.00 24.44 H new ATOM 978 N THR A 69 9.557 0.323 2.343 1.00 0.34 N ATOM 979 CA THR A 69 9.391 1.715 2.635 1.00 21.14 C ATOM 980 C THR A 69 8.388 2.332 1.641 1.00 65.25 C ATOM 981 O THR A 69 8.425 2.035 0.441 1.00 23.33 O ATOM 982 CB THR A 69 10.759 2.427 2.510 1.00 21.12 C ATOM 983 OG1 THR A 69 11.715 1.754 3.347 1.00 4.10 O ATOM 984 CG2 THR A 69 10.673 3.887 2.925 1.00 61.32 C ATOM 0 H THR A 69 10.179 0.138 1.556 1.00 0.34 H new ATOM 0 HA THR A 69 9.010 1.837 3.649 1.00 21.14 H new ATOM 0 HB THR A 69 11.067 2.391 1.465 1.00 21.12 H new ATOM 0 HG1 THR A 69 12.585 2.198 3.272 1.00 4.10 H new ATOM 0 HG21 THR A 69 11.653 4.353 2.823 1.00 61.32 H new ATOM 0 HG22 THR A 69 9.957 4.405 2.287 1.00 61.32 H new ATOM 0 HG23 THR A 69 10.347 3.952 3.963 1.00 61.32 H new ATOM 992 N ALA A 70 7.480 3.131 2.134 1.00 11.41 N ATOM 993 CA ALA A 70 6.535 3.817 1.291 1.00 43.52 C ATOM 994 C ALA A 70 6.716 5.310 1.459 1.00 21.25 C ATOM 995 O ALA A 70 6.870 5.805 2.594 1.00 65.02 O ATOM 996 CB ALA A 70 5.112 3.409 1.642 1.00 31.14 C ATOM 0 H ALA A 70 7.374 3.325 3.130 1.00 11.41 H new ATOM 0 HA ALA A 70 6.714 3.545 0.251 1.00 43.52 H new ATOM 0 HB1 ALA A 70 4.412 3.937 0.995 1.00 31.14 H new ATOM 0 HB2 ALA A 70 4.996 2.334 1.501 1.00 31.14 H new ATOM 0 HB3 ALA A 70 4.907 3.663 2.682 1.00 31.14 H new ATOM 1002 N GLY A 71 6.719 6.013 0.364 1.00 73.23 N ATOM 1003 CA GLY A 71 6.892 7.430 0.381 1.00 75.14 C ATOM 1004 C GLY A 71 6.883 7.962 -1.015 1.00 11.11 C ATOM 1005 O GLY A 71 6.488 7.249 -1.946 1.00 62.30 O ATOM 0 H GLY A 71 6.601 5.615 -0.568 1.00 73.23 H new ATOM 0 HA2 GLY A 71 6.095 7.895 0.961 1.00 75.14 H new ATOM 0 HA3 GLY A 71 7.832 7.684 0.870 1.00 75.14 H new ATOM 1009 N ARG A 72 7.314 9.172 -1.188 1.00 63.35 N ATOM 1010 CA ARG A 72 7.325 9.772 -2.488 1.00 22.32 C ATOM 1011 C ARG A 72 8.667 9.515 -3.153 1.00 10.23 C ATOM 1012 O ARG A 72 9.668 9.404 -2.465 1.00 74.35 O ATOM 1013 CB ARG A 72 7.031 11.274 -2.398 1.00 1.51 C ATOM 1014 CG ARG A 72 6.898 11.943 -3.751 1.00 52.23 C ATOM 1015 CD ARG A 72 6.545 13.398 -3.630 1.00 70.11 C ATOM 1016 NE ARG A 72 6.365 14.004 -4.944 1.00 73.14 N ATOM 1017 CZ ARG A 72 5.963 15.262 -5.168 1.00 62.34 C ATOM 1018 NH1 ARG A 72 5.586 16.041 -4.155 1.00 21.20 N ATOM 1019 NH2 ARG A 72 5.899 15.719 -6.413 1.00 34.41 N ATOM 0 H ARG A 72 7.666 9.769 -0.440 1.00 63.35 H new ATOM 0 HA ARG A 72 6.540 9.322 -3.096 1.00 22.32 H new ATOM 0 HB2 ARG A 72 6.110 11.423 -1.835 1.00 1.51 H new ATOM 0 HB3 ARG A 72 7.829 11.760 -1.837 1.00 1.51 H new ATOM 0 HG2 ARG A 72 7.835 11.842 -4.298 1.00 52.23 H new ATOM 0 HG3 ARG A 72 6.132 11.432 -4.334 1.00 52.23 H new ATOM 0 HD2 ARG A 72 5.630 13.507 -3.047 1.00 70.11 H new ATOM 0 HD3 ARG A 72 7.332 13.923 -3.088 1.00 70.11 H new ATOM 0 HE ARG A 72 6.561 13.423 -5.759 1.00 73.14 H new ATOM 0 HH11 ARG A 72 5.602 15.681 -3.201 1.00 21.20 H new ATOM 0 HH12 ARG A 72 5.281 16.998 -4.334 1.00 21.20 H new ATOM 0 HH21 ARG A 72 6.155 15.113 -7.192 1.00 34.41 H new ATOM 0 HH22 ARG A 72 5.594 16.676 -6.590 1.00 34.41 H new ATOM 1033 N HIS A 73 8.665 9.412 -4.489 1.00 61.11 N ATOM 1034 CA HIS A 73 9.877 9.171 -5.319 1.00 50.15 C ATOM 1035 C HIS A 73 10.268 7.678 -5.285 1.00 63.35 C ATOM 1036 O HIS A 73 9.849 6.943 -4.393 1.00 53.22 O ATOM 1037 CB HIS A 73 11.099 10.063 -4.903 1.00 14.22 C ATOM 1038 CG HIS A 73 10.849 11.545 -4.891 1.00 62.30 C ATOM 1039 ND1 HIS A 73 11.234 12.374 -3.858 1.00 54.12 N ATOM 1040 CD2 HIS A 73 10.279 12.346 -5.819 1.00 21.02 C ATOM 1041 CE1 HIS A 73 10.892 13.621 -4.178 1.00 4.32 C ATOM 1042 NE2 HIS A 73 10.305 13.663 -5.362 1.00 33.53 N ATOM 0 H HIS A 73 7.812 9.494 -5.043 1.00 61.11 H new ATOM 0 HA HIS A 73 9.614 9.456 -6.338 1.00 50.15 H new ATOM 0 HB2 HIS A 73 11.425 9.760 -3.908 1.00 14.22 H new ATOM 0 HB3 HIS A 73 11.924 9.858 -5.585 1.00 14.22 H new ATOM 0 HD2 HIS A 73 9.869 12.018 -6.763 1.00 21.02 H new ATOM 0 HE1 HIS A 73 11.071 14.484 -3.553 1.00 4.32 H new ATOM 0 HE2 HIS A 73 9.946 14.488 -5.842 1.00 33.53 H new ATOM 1050 N PRO A 74 11.087 7.192 -6.258 1.00 55.12 N ATOM 1051 CA PRO A 74 11.535 5.780 -6.300 1.00 42.51 C ATOM 1052 C PRO A 74 12.572 5.440 -5.210 1.00 11.13 C ATOM 1053 O PRO A 74 13.203 4.382 -5.243 1.00 14.40 O ATOM 1054 CB PRO A 74 12.166 5.632 -7.699 1.00 42.20 C ATOM 1055 CG PRO A 74 11.757 6.856 -8.446 1.00 44.33 C ATOM 1056 CD PRO A 74 11.610 7.932 -7.416 1.00 74.31 C ATOM 0 HA PRO A 74 10.703 5.100 -6.116 1.00 42.51 H new ATOM 0 HB2 PRO A 74 13.251 5.555 -7.635 1.00 42.20 H new ATOM 0 HB3 PRO A 74 11.811 4.730 -8.197 1.00 42.20 H new ATOM 0 HG2 PRO A 74 12.505 7.127 -9.191 1.00 44.33 H new ATOM 0 HG3 PRO A 74 10.820 6.694 -8.979 1.00 44.33 H new ATOM 0 HD2 PRO A 74 12.562 8.414 -7.194 1.00 74.31 H new ATOM 0 HD3 PRO A 74 10.925 8.715 -7.741 1.00 74.31 H new ATOM 1064 N GLU A 75 12.721 6.334 -4.239 1.00 61.31 N ATOM 1065 CA GLU A 75 13.626 6.125 -3.114 1.00 24.34 C ATOM 1066 C GLU A 75 12.933 5.293 -2.051 1.00 34.41 C ATOM 1067 O GLU A 75 13.515 4.929 -1.035 1.00 13.34 O ATOM 1068 CB GLU A 75 14.108 7.457 -2.533 1.00 51.31 C ATOM 1069 CG GLU A 75 14.907 8.291 -3.516 1.00 10.34 C ATOM 1070 CD GLU A 75 16.078 7.524 -4.082 1.00 75.54 C ATOM 1071 OE1 GLU A 75 17.107 7.373 -3.377 1.00 13.40 O ATOM 1072 OE2 GLU A 75 15.981 7.033 -5.214 1.00 53.20 O ATOM 0 H GLU A 75 12.220 7.222 -4.209 1.00 61.31 H new ATOM 0 HA GLU A 75 14.505 5.589 -3.470 1.00 24.34 H new ATOM 0 HB2 GLU A 75 13.245 8.032 -2.198 1.00 51.31 H new ATOM 0 HB3 GLU A 75 14.721 7.260 -1.653 1.00 51.31 H new ATOM 0 HG2 GLU A 75 14.258 8.615 -4.329 1.00 10.34 H new ATOM 0 HG3 GLU A 75 15.268 9.191 -3.019 1.00 10.34 H new ATOM 1079 N SER A 76 11.680 5.037 -2.286 1.00 65.35 N ATOM 1080 CA SER A 76 10.901 4.173 -1.476 1.00 4.12 C ATOM 1081 C SER A 76 10.455 2.999 -2.343 1.00 40.41 C ATOM 1082 O SER A 76 10.316 3.150 -3.570 1.00 70.25 O ATOM 1083 CB SER A 76 9.712 4.939 -0.915 1.00 5.23 C ATOM 1084 OG SER A 76 10.167 6.061 -0.169 1.00 40.51 O ATOM 0 H SER A 76 11.166 5.439 -3.070 1.00 65.35 H new ATOM 0 HA SER A 76 11.476 3.796 -0.630 1.00 4.12 H new ATOM 0 HB2 SER A 76 9.065 5.270 -1.728 1.00 5.23 H new ATOM 0 HB3 SER A 76 9.115 4.286 -0.278 1.00 5.23 H new ATOM 0 HG SER A 76 9.526 6.261 0.545 1.00 40.51 H new ATOM 1090 N ASP A 77 10.300 1.836 -1.729 1.00 34.14 N ATOM 1091 CA ASP A 77 9.869 0.603 -2.404 1.00 40.34 C ATOM 1092 C ASP A 77 8.535 0.839 -3.075 1.00 13.45 C ATOM 1093 O ASP A 77 8.315 0.456 -4.229 1.00 2.24 O ATOM 1094 CB ASP A 77 9.680 -0.527 -1.392 1.00 11.50 C ATOM 1095 CG ASP A 77 10.878 -0.803 -0.516 1.00 21.12 C ATOM 1096 OD1 ASP A 77 11.211 0.059 0.326 1.00 2.45 O ATOM 1097 OD2 ASP A 77 11.473 -1.877 -0.630 1.00 15.54 O ATOM 0 H ASP A 77 10.471 1.711 -0.731 1.00 34.14 H new ATOM 0 HA ASP A 77 10.634 0.329 -3.131 1.00 40.34 H new ATOM 0 HB2 ASP A 77 8.830 -0.285 -0.754 1.00 11.50 H new ATOM 0 HB3 ASP A 77 9.425 -1.439 -1.931 1.00 11.50 H new ATOM 1102 N ILE A 78 7.647 1.475 -2.352 1.00 23.41 N ATOM 1103 CA ILE A 78 6.339 1.800 -2.861 1.00 3.42 C ATOM 1104 C ILE A 78 6.350 3.257 -3.287 1.00 32.40 C ATOM 1105 O ILE A 78 6.696 4.132 -2.488 1.00 40.44 O ATOM 1106 CB ILE A 78 5.233 1.605 -1.783 1.00 71.42 C ATOM 1107 CG1 ILE A 78 5.342 0.223 -1.118 1.00 33.54 C ATOM 1108 CG2 ILE A 78 3.842 1.793 -2.395 1.00 32.02 C ATOM 1109 CD1 ILE A 78 5.254 -0.943 -2.077 1.00 51.53 C ATOM 0 H ILE A 78 7.811 1.782 -1.393 1.00 23.41 H new ATOM 0 HA ILE A 78 6.116 1.136 -3.696 1.00 3.42 H new ATOM 0 HB ILE A 78 5.381 2.363 -1.014 1.00 71.42 H new ATOM 0 HG12 ILE A 78 6.289 0.165 -0.582 1.00 33.54 H new ATOM 0 HG13 ILE A 78 4.549 0.127 -0.376 1.00 33.54 H new ATOM 0 HG21 ILE A 78 3.084 1.652 -1.625 1.00 32.02 H new ATOM 0 HG22 ILE A 78 3.759 2.799 -2.807 1.00 32.02 H new ATOM 0 HG23 ILE A 78 3.692 1.062 -3.189 1.00 32.02 H new ATOM 0 HD11 ILE A 78 5.340 -1.877 -1.523 1.00 51.53 H new ATOM 0 HD12 ILE A 78 4.296 -0.916 -2.596 1.00 51.53 H new ATOM 0 HD13 ILE A 78 6.063 -0.877 -2.805 1.00 51.53 H new ATOM 1121 N PHE A 79 5.999 3.505 -4.523 1.00 75.42 N ATOM 1122 CA PHE A 79 5.973 4.846 -5.049 1.00 31.14 C ATOM 1123 C PHE A 79 4.621 5.504 -4.814 1.00 25.53 C ATOM 1124 O PHE A 79 3.574 4.961 -5.180 1.00 50.31 O ATOM 1125 CB PHE A 79 6.322 4.862 -6.550 1.00 13.22 C ATOM 1126 CG PHE A 79 6.172 6.224 -7.185 1.00 75.23 C ATOM 1127 CD1 PHE A 79 7.110 7.211 -6.965 1.00 55.02 C ATOM 1128 CD2 PHE A 79 5.073 6.516 -7.981 1.00 64.32 C ATOM 1129 CE1 PHE A 79 6.959 8.462 -7.526 1.00 44.42 C ATOM 1130 CE2 PHE A 79 4.916 7.764 -8.542 1.00 43.12 C ATOM 1131 CZ PHE A 79 5.861 8.740 -8.316 1.00 43.30 C ATOM 0 H PHE A 79 5.724 2.785 -5.192 1.00 75.42 H new ATOM 0 HA PHE A 79 6.730 5.420 -4.515 1.00 31.14 H new ATOM 0 HB2 PHE A 79 7.348 4.519 -6.681 1.00 13.22 H new ATOM 0 HB3 PHE A 79 5.680 4.153 -7.073 1.00 13.22 H new ATOM 0 HD1 PHE A 79 7.971 7.002 -6.347 1.00 55.02 H new ATOM 0 HD2 PHE A 79 4.330 5.753 -8.163 1.00 64.32 H new ATOM 0 HE1 PHE A 79 7.701 9.226 -7.347 1.00 44.42 H new ATOM 0 HE2 PHE A 79 4.054 7.977 -9.157 1.00 43.12 H new ATOM 0 HZ PHE A 79 5.744 9.720 -8.755 1.00 43.30 H new ATOM 1141 N LEU A 80 4.660 6.637 -4.174 1.00 44.35 N ATOM 1142 CA LEU A 80 3.509 7.476 -3.949 1.00 70.15 C ATOM 1143 C LEU A 80 3.841 8.860 -4.458 1.00 60.44 C ATOM 1144 O LEU A 80 4.990 9.302 -4.351 1.00 34.42 O ATOM 1145 CB LEU A 80 3.136 7.592 -2.448 1.00 30.32 C ATOM 1146 CG LEU A 80 2.616 6.346 -1.699 1.00 10.31 C ATOM 1147 CD1 LEU A 80 3.689 5.300 -1.498 1.00 74.05 C ATOM 1148 CD2 LEU A 80 2.044 6.757 -0.366 1.00 41.03 C ATOM 0 H LEU A 80 5.520 7.018 -3.780 1.00 44.35 H new ATOM 0 HA LEU A 80 2.660 7.030 -4.468 1.00 70.15 H new ATOM 0 HB2 LEU A 80 4.019 7.948 -1.918 1.00 30.32 H new ATOM 0 HB3 LEU A 80 2.376 8.368 -2.359 1.00 30.32 H new ATOM 0 HG LEU A 80 1.840 5.895 -2.318 1.00 10.31 H new ATOM 0 HD11 LEU A 80 3.269 4.446 -0.967 1.00 74.05 H new ATOM 0 HD12 LEU A 80 4.066 4.975 -2.468 1.00 74.05 H new ATOM 0 HD13 LEU A 80 4.506 5.724 -0.915 1.00 74.05 H new ATOM 0 HD21 LEU A 80 1.678 5.875 0.160 1.00 41.03 H new ATOM 0 HD22 LEU A 80 2.819 7.239 0.230 1.00 41.03 H new ATOM 0 HD23 LEU A 80 1.221 7.454 -0.523 1.00 41.03 H new ATOM 1160 N ASP A 81 2.897 9.513 -5.064 1.00 64.45 N ATOM 1161 CA ASP A 81 3.115 10.886 -5.456 1.00 54.23 C ATOM 1162 C ASP A 81 2.298 11.727 -4.520 1.00 31.52 C ATOM 1163 O ASP A 81 1.075 11.614 -4.482 1.00 4.13 O ATOM 1164 CB ASP A 81 2.753 11.144 -6.919 1.00 44.44 C ATOM 1165 CG ASP A 81 3.154 12.539 -7.370 1.00 50.25 C ATOM 1166 OD1 ASP A 81 4.379 12.794 -7.534 1.00 45.42 O ATOM 1167 OD2 ASP A 81 2.261 13.402 -7.584 1.00 5.21 O ATOM 0 H ASP A 81 1.980 9.132 -5.298 1.00 64.45 H new ATOM 0 HA ASP A 81 4.173 11.137 -5.386 1.00 54.23 H new ATOM 0 HB2 ASP A 81 3.246 10.404 -7.550 1.00 44.44 H new ATOM 0 HB3 ASP A 81 1.679 11.014 -7.055 1.00 44.44 H new ATOM 1172 N ASP A 82 2.968 12.545 -3.769 1.00 62.25 N ATOM 1173 CA ASP A 82 2.365 13.245 -2.646 1.00 54.02 C ATOM 1174 C ASP A 82 2.147 14.709 -3.015 1.00 52.21 C ATOM 1175 O ASP A 82 2.590 15.160 -4.073 1.00 73.11 O ATOM 1176 CB ASP A 82 3.334 13.119 -1.441 1.00 73.55 C ATOM 1177 CG ASP A 82 2.770 13.476 -0.065 1.00 54.03 C ATOM 1178 OD1 ASP A 82 2.421 14.655 0.183 1.00 2.15 O ATOM 1179 OD2 ASP A 82 2.755 12.595 0.797 1.00 52.24 O ATOM 0 H ASP A 82 3.956 12.756 -3.908 1.00 62.25 H new ATOM 0 HA ASP A 82 1.396 12.816 -2.389 1.00 54.02 H new ATOM 0 HB2 ASP A 82 3.698 12.092 -1.403 1.00 73.55 H new ATOM 0 HB3 ASP A 82 4.197 13.757 -1.631 1.00 73.55 H new ATOM 1184 N VAL A 83 1.486 15.432 -2.150 1.00 34.52 N ATOM 1185 CA VAL A 83 1.224 16.853 -2.322 1.00 14.11 C ATOM 1186 C VAL A 83 2.469 17.611 -1.846 1.00 20.43 C ATOM 1187 O VAL A 83 2.756 18.745 -2.258 1.00 52.44 O ATOM 1188 CB VAL A 83 -0.007 17.286 -1.457 1.00 11.44 C ATOM 1189 CG1 VAL A 83 -0.349 18.758 -1.653 1.00 2.21 C ATOM 1190 CG2 VAL A 83 -1.219 16.410 -1.751 1.00 22.32 C ATOM 0 H VAL A 83 1.103 15.050 -1.285 1.00 34.52 H new ATOM 0 HA VAL A 83 1.005 17.072 -3.367 1.00 14.11 H new ATOM 0 HB VAL A 83 0.272 17.149 -0.412 1.00 11.44 H new ATOM 0 HG11 VAL A 83 -1.209 19.017 -1.035 1.00 2.21 H new ATOM 0 HG12 VAL A 83 0.504 19.371 -1.363 1.00 2.21 H new ATOM 0 HG13 VAL A 83 -0.588 18.940 -2.701 1.00 2.21 H new ATOM 0 HG21 VAL A 83 -2.059 16.733 -1.136 1.00 22.32 H new ATOM 0 HG22 VAL A 83 -1.485 16.498 -2.804 1.00 22.32 H new ATOM 0 HG23 VAL A 83 -0.981 15.371 -1.523 1.00 22.32 H new ATOM 1200 N THR A 84 3.193 16.962 -0.980 1.00 74.21 N ATOM 1201 CA THR A 84 4.401 17.468 -0.414 1.00 0.11 C ATOM 1202 C THR A 84 5.485 16.408 -0.707 1.00 22.15 C ATOM 1203 O THR A 84 5.232 15.479 -1.469 1.00 25.03 O ATOM 1204 CB THR A 84 4.184 17.627 1.109 1.00 5.30 C ATOM 1205 OG1 THR A 84 2.844 18.092 1.334 1.00 4.04 O ATOM 1206 CG2 THR A 84 5.127 18.655 1.683 1.00 62.15 C ATOM 0 H THR A 84 2.946 16.033 -0.639 1.00 74.21 H new ATOM 0 HA THR A 84 4.694 18.434 -0.824 1.00 0.11 H new ATOM 0 HB THR A 84 4.363 16.664 1.587 1.00 5.30 H new ATOM 0 HG1 THR A 84 2.516 17.743 2.189 1.00 4.04 H new ATOM 0 HG21 THR A 84 4.955 18.748 2.755 1.00 62.15 H new ATOM 0 HG22 THR A 84 6.156 18.343 1.507 1.00 62.15 H new ATOM 0 HG23 THR A 84 4.952 19.618 1.202 1.00 62.15 H new ATOM 1214 N VAL A 85 6.673 16.543 -0.198 1.00 44.20 N ATOM 1215 CA VAL A 85 7.641 15.498 -0.376 1.00 61.05 C ATOM 1216 C VAL A 85 7.768 14.680 0.897 1.00 31.44 C ATOM 1217 O VAL A 85 8.385 15.109 1.876 1.00 55.05 O ATOM 1218 CB VAL A 85 9.029 16.015 -0.848 1.00 53.32 C ATOM 1219 CG1 VAL A 85 10.027 14.863 -0.967 1.00 1.02 C ATOM 1220 CG2 VAL A 85 8.902 16.726 -2.190 1.00 72.13 C ATOM 0 H VAL A 85 6.994 17.351 0.335 1.00 44.20 H new ATOM 0 HA VAL A 85 7.272 14.861 -1.180 1.00 61.05 H new ATOM 0 HB VAL A 85 9.397 16.720 -0.103 1.00 53.32 H new ATOM 0 HG11 VAL A 85 10.991 15.249 -1.299 1.00 1.02 H new ATOM 0 HG12 VAL A 85 10.144 14.381 0.004 1.00 1.02 H new ATOM 0 HG13 VAL A 85 9.659 14.136 -1.691 1.00 1.02 H new ATOM 0 HG21 VAL A 85 9.882 17.082 -2.507 1.00 72.13 H new ATOM 0 HG22 VAL A 85 8.510 16.032 -2.934 1.00 72.13 H new ATOM 0 HG23 VAL A 85 8.223 17.573 -2.090 1.00 72.13 H new ATOM 1230 N SER A 86 7.109 13.551 0.907 1.00 73.35 N ATOM 1231 CA SER A 86 7.200 12.624 1.982 1.00 21.11 C ATOM 1232 C SER A 86 8.437 11.727 1.795 1.00 54.02 C ATOM 1233 O SER A 86 8.482 10.877 0.899 1.00 41.11 O ATOM 1234 CB SER A 86 5.887 11.843 2.070 1.00 45.45 C ATOM 1235 OG SER A 86 5.358 11.622 0.766 1.00 30.42 O ATOM 0 H SER A 86 6.488 13.254 0.154 1.00 73.35 H new ATOM 0 HA SER A 86 7.338 13.137 2.934 1.00 21.11 H new ATOM 0 HB2 SER A 86 6.056 10.888 2.569 1.00 45.45 H new ATOM 0 HB3 SER A 86 5.167 12.395 2.674 1.00 45.45 H new ATOM 0 HG SER A 86 4.397 11.815 0.766 1.00 30.42 H new ATOM 1241 N ARG A 87 9.462 11.968 2.630 1.00 73.41 N ATOM 1242 CA ARG A 87 10.745 11.253 2.543 1.00 43.10 C ATOM 1243 C ARG A 87 10.565 9.774 2.837 1.00 72.24 C ATOM 1244 O ARG A 87 11.236 8.918 2.268 1.00 74.51 O ATOM 1245 CB ARG A 87 11.847 11.894 3.459 1.00 12.01 C ATOM 1246 CG ARG A 87 11.852 11.594 4.998 1.00 72.31 C ATOM 1247 CD ARG A 87 10.585 12.011 5.728 1.00 32.43 C ATOM 1248 NE ARG A 87 10.764 12.126 7.194 1.00 51.21 N ATOM 1249 CZ ARG A 87 9.882 11.729 8.141 1.00 72.21 C ATOM 1250 NH1 ARG A 87 8.821 10.980 7.817 1.00 24.01 N ATOM 1251 NH2 ARG A 87 10.092 12.058 9.419 1.00 1.34 N ATOM 0 H ARG A 87 9.425 12.659 3.379 1.00 73.41 H new ATOM 0 HA ARG A 87 11.099 11.351 1.517 1.00 43.10 H new ATOM 0 HB2 ARG A 87 12.816 11.588 3.065 1.00 12.01 H new ATOM 0 HB3 ARG A 87 11.781 12.975 3.339 1.00 12.01 H new ATOM 0 HG2 ARG A 87 12.006 10.525 5.146 1.00 72.31 H new ATOM 0 HG3 ARG A 87 12.702 12.104 5.452 1.00 72.31 H new ATOM 0 HD2 ARG A 87 10.246 12.969 5.334 1.00 32.43 H new ATOM 0 HD3 ARG A 87 9.799 11.285 5.521 1.00 32.43 H new ATOM 0 HE ARG A 87 11.635 12.544 7.521 1.00 51.21 H new ATOM 0 HH11 ARG A 87 8.670 10.702 6.847 1.00 24.01 H new ATOM 0 HH12 ARG A 87 8.164 10.687 8.540 1.00 24.01 H new ATOM 0 HH21 ARG A 87 10.913 12.605 9.676 1.00 1.34 H new ATOM 0 HH22 ARG A 87 9.431 11.762 10.137 1.00 1.34 H new ATOM 1265 N ARG A 88 9.627 9.521 3.691 1.00 10.32 N ATOM 1266 CA ARG A 88 9.230 8.231 4.130 1.00 34.14 C ATOM 1267 C ARG A 88 7.957 8.461 4.878 1.00 43.12 C ATOM 1268 O ARG A 88 7.928 9.281 5.805 1.00 4.44 O ATOM 1269 CB ARG A 88 10.299 7.593 5.043 1.00 54.32 C ATOM 1270 CG ARG A 88 9.883 6.260 5.661 1.00 42.44 C ATOM 1271 CD ARG A 88 11.009 5.623 6.470 1.00 74.55 C ATOM 1272 NE ARG A 88 11.562 6.541 7.477 1.00 65.21 N ATOM 1273 CZ ARG A 88 11.799 6.249 8.770 1.00 44.55 C ATOM 1274 NH1 ARG A 88 11.366 5.108 9.312 1.00 45.22 N ATOM 1275 NH2 ARG A 88 12.441 7.128 9.527 1.00 64.50 N ATOM 0 H ARG A 88 9.083 10.265 4.128 1.00 10.32 H new ATOM 0 HA ARG A 88 9.102 7.540 3.297 1.00 34.14 H new ATOM 0 HB2 ARG A 88 11.211 7.443 4.465 1.00 54.32 H new ATOM 0 HB3 ARG A 88 10.540 8.292 5.844 1.00 54.32 H new ATOM 0 HG2 ARG A 88 9.018 6.415 6.305 1.00 42.44 H new ATOM 0 HG3 ARG A 88 9.574 5.576 4.871 1.00 42.44 H new ATOM 0 HD2 ARG A 88 10.635 4.727 6.965 1.00 74.55 H new ATOM 0 HD3 ARG A 88 11.804 5.306 5.795 1.00 74.55 H new ATOM 0 HE ARG A 88 11.787 7.486 7.167 1.00 65.21 H new ATOM 0 HH11 ARG A 88 10.845 4.439 8.745 1.00 45.22 H new ATOM 0 HH12 ARG A 88 11.556 4.905 10.293 1.00 45.22 H new ATOM 0 HH21 ARG A 88 12.750 8.015 9.129 1.00 64.50 H new ATOM 0 HH22 ARG A 88 12.626 6.918 10.508 1.00 64.50 H new ATOM 1289 N HIS A 89 6.911 7.860 4.432 1.00 74.23 N ATOM 1290 CA HIS A 89 5.632 8.021 5.061 1.00 30.43 C ATOM 1291 C HIS A 89 5.348 6.835 5.965 1.00 51.31 C ATOM 1292 O HIS A 89 5.088 6.997 7.142 1.00 50.53 O ATOM 1293 CB HIS A 89 4.527 8.201 3.996 1.00 31.01 C ATOM 1294 CG HIS A 89 3.136 8.210 4.555 1.00 21.14 C ATOM 1295 ND1 HIS A 89 2.383 7.071 4.554 1.00 0.32 N ATOM 1296 CD2 HIS A 89 2.432 9.205 5.154 1.00 52.13 C ATOM 1297 CE1 HIS A 89 1.264 7.383 5.148 1.00 34.03 C ATOM 1298 NE2 HIS A 89 1.244 8.660 5.525 1.00 1.22 N ATOM 0 H HIS A 89 6.909 7.241 3.621 1.00 74.23 H new ATOM 0 HA HIS A 89 5.644 8.920 5.677 1.00 30.43 H new ATOM 0 HB2 HIS A 89 4.699 9.136 3.463 1.00 31.01 H new ATOM 0 HB3 HIS A 89 4.608 7.397 3.264 1.00 31.01 H new ATOM 0 HD1 HIS A 89 2.642 6.163 4.168 1.00 0.32 H new ATOM 0 HD2 HIS A 89 2.752 10.225 5.305 1.00 52.13 H new ATOM 0 HE1 HIS A 89 0.453 6.690 5.314 1.00 34.03 H new ATOM 1306 N ALA A 90 5.468 5.658 5.439 1.00 35.35 N ATOM 1307 CA ALA A 90 5.172 4.489 6.209 1.00 72.52 C ATOM 1308 C ALA A 90 6.114 3.384 5.851 1.00 71.30 C ATOM 1309 O ALA A 90 6.738 3.404 4.780 1.00 32.54 O ATOM 1310 CB ALA A 90 3.727 4.052 5.985 1.00 35.52 C ATOM 0 H ALA A 90 5.768 5.479 4.481 1.00 35.35 H new ATOM 0 HA ALA A 90 5.298 4.727 7.265 1.00 72.52 H new ATOM 0 HB1 ALA A 90 3.520 3.162 6.579 1.00 35.52 H new ATOM 0 HB2 ALA A 90 3.053 4.854 6.287 1.00 35.52 H new ATOM 0 HB3 ALA A 90 3.574 3.828 4.929 1.00 35.52 H new ATOM 1316 N GLU A 91 6.257 2.463 6.740 1.00 11.24 N ATOM 1317 CA GLU A 91 7.057 1.306 6.506 1.00 75.30 C ATOM 1318 C GLU A 91 6.245 0.057 6.770 1.00 73.44 C ATOM 1319 O GLU A 91 5.546 -0.046 7.778 1.00 2.45 O ATOM 1320 CB GLU A 91 8.349 1.338 7.333 1.00 24.13 C ATOM 1321 CG GLU A 91 8.151 1.487 8.829 1.00 23.21 C ATOM 1322 CD GLU A 91 9.455 1.596 9.549 1.00 51.33 C ATOM 1323 OE1 GLU A 91 10.028 2.700 9.599 1.00 33.54 O ATOM 1324 OE2 GLU A 91 9.968 0.582 10.058 1.00 40.52 O ATOM 0 H GLU A 91 5.818 2.490 7.660 1.00 11.24 H new ATOM 0 HA GLU A 91 7.362 1.298 5.460 1.00 75.30 H new ATOM 0 HB2 GLU A 91 8.905 0.419 7.145 1.00 24.13 H new ATOM 0 HB3 GLU A 91 8.968 2.163 6.980 1.00 24.13 H new ATOM 0 HG2 GLU A 91 7.549 2.373 9.030 1.00 23.21 H new ATOM 0 HG3 GLU A 91 7.595 0.630 9.210 1.00 23.21 H new ATOM 1331 N PHE A 92 6.309 -0.851 5.854 1.00 13.23 N ATOM 1332 CA PHE A 92 5.604 -2.099 5.941 1.00 45.00 C ATOM 1333 C PHE A 92 6.627 -3.152 6.266 1.00 54.42 C ATOM 1334 O PHE A 92 7.554 -3.391 5.490 1.00 73.25 O ATOM 1335 CB PHE A 92 4.914 -2.450 4.595 1.00 2.24 C ATOM 1336 CG PHE A 92 3.855 -1.477 4.106 1.00 0.32 C ATOM 1337 CD1 PHE A 92 4.173 -0.164 3.776 1.00 13.22 C ATOM 1338 CD2 PHE A 92 2.544 -1.894 3.954 1.00 51.23 C ATOM 1339 CE1 PHE A 92 3.207 0.705 3.317 1.00 54.12 C ATOM 1340 CE2 PHE A 92 1.572 -1.024 3.495 1.00 12.14 C ATOM 1341 CZ PHE A 92 1.905 0.278 3.178 1.00 25.03 C ATOM 0 H PHE A 92 6.863 -0.750 5.004 1.00 13.23 H new ATOM 0 HA PHE A 92 4.826 -2.038 6.702 1.00 45.00 H new ATOM 0 HB2 PHE A 92 5.684 -2.532 3.827 1.00 2.24 H new ATOM 0 HB3 PHE A 92 4.455 -3.434 4.692 1.00 2.24 H new ATOM 0 HD1 PHE A 92 5.192 0.180 3.881 1.00 13.22 H new ATOM 0 HD2 PHE A 92 2.277 -2.912 4.197 1.00 51.23 H new ATOM 0 HE1 PHE A 92 3.471 1.722 3.066 1.00 54.12 H new ATOM 0 HE2 PHE A 92 0.553 -1.363 3.384 1.00 12.14 H new ATOM 0 HZ PHE A 92 1.147 0.960 2.822 1.00 25.03 H new ATOM 1351 N ARG A 93 6.523 -3.712 7.416 1.00 5.00 N ATOM 1352 CA ARG A 93 7.453 -4.725 7.831 1.00 12.14 C ATOM 1353 C ARG A 93 6.780 -6.068 7.726 1.00 13.54 C ATOM 1354 O ARG A 93 5.634 -6.229 8.163 1.00 4.04 O ATOM 1355 CB ARG A 93 7.874 -4.500 9.275 1.00 61.50 C ATOM 1356 CG ARG A 93 8.374 -3.103 9.576 1.00 63.15 C ATOM 1357 CD ARG A 93 8.616 -2.942 11.054 1.00 50.31 C ATOM 1358 NE ARG A 93 8.999 -1.582 11.411 1.00 54.55 N ATOM 1359 CZ ARG A 93 8.841 -1.041 12.612 1.00 63.10 C ATOM 1360 NH1 ARG A 93 8.111 -1.662 13.551 1.00 34.45 N ATOM 1361 NH2 ARG A 93 9.336 0.167 12.842 1.00 71.31 N ATOM 0 H ARG A 93 5.799 -3.491 8.100 1.00 5.00 H new ATOM 0 HA ARG A 93 8.336 -4.683 7.193 1.00 12.14 H new ATOM 0 HB2 ARG A 93 7.026 -4.716 9.925 1.00 61.50 H new ATOM 0 HB3 ARG A 93 8.658 -5.214 9.526 1.00 61.50 H new ATOM 0 HG2 ARG A 93 9.296 -2.913 9.027 1.00 63.15 H new ATOM 0 HG3 ARG A 93 7.644 -2.367 9.238 1.00 63.15 H new ATOM 0 HD2 ARG A 93 7.713 -3.217 11.599 1.00 50.31 H new ATOM 0 HD3 ARG A 93 9.400 -3.631 11.368 1.00 50.31 H new ATOM 0 HE ARG A 93 9.420 -1.003 10.684 1.00 54.55 H new ATOM 0 HH11 ARG A 93 7.671 -2.559 13.345 1.00 34.45 H new ATOM 0 HH12 ARG A 93 7.996 -1.237 14.471 1.00 34.45 H new ATOM 0 HH21 ARG A 93 9.829 0.666 12.101 1.00 71.31 H new ATOM 0 HH22 ARG A 93 9.224 0.598 13.760 1.00 71.31 H new ATOM 1375 N ILE A 94 7.460 -7.012 7.155 1.00 62.13 N ATOM 1376 CA ILE A 94 6.948 -8.350 7.061 1.00 60.12 C ATOM 1377 C ILE A 94 7.693 -9.155 8.094 1.00 0.34 C ATOM 1378 O ILE A 94 8.916 -9.332 7.992 1.00 21.10 O ATOM 1379 CB ILE A 94 7.201 -8.983 5.662 1.00 14.10 C ATOM 1380 CG1 ILE A 94 6.609 -8.114 4.543 1.00 33.41 C ATOM 1381 CG2 ILE A 94 6.628 -10.401 5.593 1.00 23.12 C ATOM 1382 CD1 ILE A 94 6.797 -8.691 3.152 1.00 35.13 C ATOM 0 H ILE A 94 8.383 -6.882 6.741 1.00 62.13 H new ATOM 0 HA ILE A 94 5.869 -8.340 7.218 1.00 60.12 H new ATOM 0 HB ILE A 94 8.280 -9.037 5.516 1.00 14.10 H new ATOM 0 HG12 ILE A 94 5.544 -7.977 4.728 1.00 33.41 H new ATOM 0 HG13 ILE A 94 7.069 -7.126 4.581 1.00 33.41 H new ATOM 0 HG21 ILE A 94 6.817 -10.822 4.606 1.00 23.12 H new ATOM 0 HG22 ILE A 94 7.105 -11.023 6.350 1.00 23.12 H new ATOM 0 HG23 ILE A 94 5.554 -10.368 5.774 1.00 23.12 H new ATOM 0 HD11 ILE A 94 6.352 -8.020 2.417 1.00 35.13 H new ATOM 0 HD12 ILE A 94 7.861 -8.802 2.945 1.00 35.13 H new ATOM 0 HD13 ILE A 94 6.312 -9.666 3.094 1.00 35.13 H new ATOM 1394 N ASN A 95 6.997 -9.606 9.086 1.00 51.33 N ATOM 1395 CA ASN A 95 7.610 -10.343 10.159 1.00 70.31 C ATOM 1396 C ASN A 95 6.782 -11.556 10.469 1.00 13.13 C ATOM 1397 O ASN A 95 5.604 -11.434 10.802 1.00 32.44 O ATOM 1398 CB ASN A 95 7.737 -9.463 11.411 1.00 3.31 C ATOM 1399 CG ASN A 95 8.433 -10.165 12.570 1.00 42.43 C ATOM 1400 OD1 ASN A 95 9.309 -11.003 12.370 1.00 4.43 O ATOM 1401 ND2 ASN A 95 8.052 -9.832 13.778 1.00 70.12 N ATOM 0 H ASN A 95 5.990 -9.478 9.182 1.00 51.33 H new ATOM 0 HA ASN A 95 8.609 -10.652 9.851 1.00 70.31 H new ATOM 0 HB2 ASN A 95 8.291 -8.559 11.157 1.00 3.31 H new ATOM 0 HB3 ASN A 95 6.743 -9.149 11.729 1.00 3.31 H new ATOM 0 HD21 ASN A 95 8.486 -10.273 14.589 1.00 70.12 H new ATOM 0 HD22 ASN A 95 7.321 -9.132 13.908 1.00 70.12 H new ATOM 1408 N GLU A 96 7.389 -12.723 10.300 1.00 0.40 N ATOM 1409 CA GLU A 96 6.770 -14.024 10.587 1.00 12.35 C ATOM 1410 C GLU A 96 5.426 -14.200 9.852 1.00 41.13 C ATOM 1411 O GLU A 96 4.482 -14.786 10.385 1.00 70.30 O ATOM 1412 CB GLU A 96 6.597 -14.207 12.104 1.00 53.31 C ATOM 1413 CG GLU A 96 7.884 -14.019 12.904 1.00 1.44 C ATOM 1414 CD GLU A 96 9.023 -14.875 12.410 1.00 25.12 C ATOM 1415 OE1 GLU A 96 9.765 -14.441 11.504 1.00 51.44 O ATOM 1416 OE2 GLU A 96 9.216 -15.987 12.912 1.00 62.30 O ATOM 0 H GLU A 96 8.345 -12.801 9.953 1.00 0.40 H new ATOM 0 HA GLU A 96 7.439 -14.799 10.213 1.00 12.35 H new ATOM 0 HB2 GLU A 96 5.852 -13.497 12.462 1.00 53.31 H new ATOM 0 HB3 GLU A 96 6.204 -15.205 12.297 1.00 53.31 H new ATOM 0 HG2 GLU A 96 8.181 -12.971 12.861 1.00 1.44 H new ATOM 0 HG3 GLU A 96 7.690 -14.253 13.951 1.00 1.44 H new ATOM 1423 N GLY A 97 5.365 -13.708 8.623 1.00 61.53 N ATOM 1424 CA GLY A 97 4.164 -13.839 7.813 1.00 52.35 C ATOM 1425 C GLY A 97 3.142 -12.736 8.051 1.00 34.41 C ATOM 1426 O GLY A 97 2.143 -12.655 7.343 1.00 25.34 O ATOM 0 H GLY A 97 6.132 -13.215 8.166 1.00 61.53 H new ATOM 0 HA2 GLY A 97 4.445 -13.841 6.760 1.00 52.35 H new ATOM 0 HA3 GLY A 97 3.700 -14.803 8.020 1.00 52.35 H new ATOM 1430 N GLU A 98 3.386 -11.899 9.030 1.00 21.40 N ATOM 1431 CA GLU A 98 2.491 -10.821 9.354 1.00 25.52 C ATOM 1432 C GLU A 98 3.053 -9.526 8.819 1.00 43.32 C ATOM 1433 O GLU A 98 4.272 -9.366 8.714 1.00 15.53 O ATOM 1434 CB GLU A 98 2.320 -10.733 10.856 1.00 35.33 C ATOM 1435 CG GLU A 98 1.852 -12.031 11.461 1.00 41.05 C ATOM 1436 CD GLU A 98 1.718 -11.959 12.946 1.00 52.24 C ATOM 1437 OE1 GLU A 98 2.716 -12.184 13.646 1.00 5.31 O ATOM 1438 OE2 GLU A 98 0.604 -11.700 13.461 1.00 44.53 O ATOM 0 H GLU A 98 4.213 -11.948 9.624 1.00 21.40 H new ATOM 0 HA GLU A 98 1.518 -11.005 8.899 1.00 25.52 H new ATOM 0 HB2 GLU A 98 3.268 -10.445 11.310 1.00 35.33 H new ATOM 0 HB3 GLU A 98 1.603 -9.947 11.091 1.00 35.33 H new ATOM 0 HG2 GLU A 98 0.890 -12.304 11.026 1.00 41.05 H new ATOM 0 HG3 GLU A 98 2.555 -12.822 11.202 1.00 41.05 H new ATOM 1445 N PHE A 99 2.183 -8.617 8.477 1.00 35.31 N ATOM 1446 CA PHE A 99 2.590 -7.360 7.912 1.00 72.13 C ATOM 1447 C PHE A 99 2.191 -6.238 8.869 1.00 51.53 C ATOM 1448 O PHE A 99 0.994 -6.023 9.127 1.00 25.45 O ATOM 1449 CB PHE A 99 1.878 -7.144 6.557 1.00 23.12 C ATOM 1450 CG PHE A 99 2.082 -8.250 5.539 1.00 23.55 C ATOM 1451 CD1 PHE A 99 1.317 -9.411 5.584 1.00 24.10 C ATOM 1452 CD2 PHE A 99 3.028 -8.124 4.542 1.00 71.31 C ATOM 1453 CE1 PHE A 99 1.498 -10.419 4.659 1.00 43.14 C ATOM 1454 CE2 PHE A 99 3.213 -9.131 3.609 1.00 32.15 C ATOM 1455 CZ PHE A 99 2.450 -10.278 3.670 1.00 11.31 C ATOM 0 H PHE A 99 1.174 -8.726 8.582 1.00 35.31 H new ATOM 0 HA PHE A 99 3.669 -7.359 7.758 1.00 72.13 H new ATOM 0 HB2 PHE A 99 0.809 -7.032 6.740 1.00 23.12 H new ATOM 0 HB3 PHE A 99 2.228 -6.206 6.126 1.00 23.12 H new ATOM 0 HD1 PHE A 99 0.570 -9.525 6.355 1.00 24.10 H new ATOM 0 HD2 PHE A 99 3.631 -7.230 4.489 1.00 71.31 H new ATOM 0 HE1 PHE A 99 0.897 -11.315 4.709 1.00 43.14 H new ATOM 0 HE2 PHE A 99 3.956 -9.018 2.833 1.00 32.15 H new ATOM 0 HZ PHE A 99 2.597 -11.065 2.945 1.00 11.31 H new ATOM 1465 N GLU A 100 3.162 -5.534 9.384 1.00 53.04 N ATOM 1466 CA GLU A 100 2.906 -4.426 10.278 1.00 20.25 C ATOM 1467 C GLU A 100 3.297 -3.134 9.594 1.00 2.22 C ATOM 1468 O GLU A 100 4.394 -3.018 9.044 1.00 40.34 O ATOM 1469 CB GLU A 100 3.640 -4.584 11.636 1.00 21.12 C ATOM 1470 CG GLU A 100 5.154 -4.721 11.527 1.00 34.44 C ATOM 1471 CD GLU A 100 5.860 -4.761 12.862 1.00 12.31 C ATOM 1472 OE1 GLU A 100 5.980 -5.852 13.453 1.00 4.43 O ATOM 1473 OE2 GLU A 100 6.327 -3.703 13.340 1.00 61.40 O ATOM 0 H GLU A 100 4.150 -5.707 9.200 1.00 53.04 H new ATOM 0 HA GLU A 100 1.840 -4.410 10.507 1.00 20.25 H new ATOM 0 HB2 GLU A 100 3.411 -3.721 12.261 1.00 21.12 H new ATOM 0 HB3 GLU A 100 3.245 -5.462 12.148 1.00 21.12 H new ATOM 0 HG2 GLU A 100 5.388 -5.631 10.975 1.00 34.44 H new ATOM 0 HG3 GLU A 100 5.544 -3.886 10.945 1.00 34.44 H new ATOM 1480 N VAL A 101 2.399 -2.203 9.562 1.00 24.14 N ATOM 1481 CA VAL A 101 2.669 -0.944 8.941 1.00 13.14 C ATOM 1482 C VAL A 101 2.877 0.101 10.007 1.00 11.44 C ATOM 1483 O VAL A 101 2.030 0.280 10.891 1.00 74.22 O ATOM 1484 CB VAL A 101 1.511 -0.525 8.013 1.00 62.15 C ATOM 1485 CG1 VAL A 101 1.832 0.769 7.269 1.00 1.13 C ATOM 1486 CG2 VAL A 101 1.203 -1.640 7.040 1.00 3.10 C ATOM 0 H VAL A 101 1.465 -2.291 9.962 1.00 24.14 H new ATOM 0 HA VAL A 101 3.570 -1.039 8.335 1.00 13.14 H new ATOM 0 HB VAL A 101 0.631 -0.337 8.628 1.00 62.15 H new ATOM 0 HG11 VAL A 101 0.995 1.035 6.624 1.00 1.13 H new ATOM 0 HG12 VAL A 101 2.004 1.569 7.989 1.00 1.13 H new ATOM 0 HG13 VAL A 101 2.727 0.628 6.662 1.00 1.13 H new ATOM 0 HG21 VAL A 101 0.384 -1.338 6.387 1.00 3.10 H new ATOM 0 HG22 VAL A 101 2.087 -1.852 6.438 1.00 3.10 H new ATOM 0 HG23 VAL A 101 0.916 -2.535 7.592 1.00 3.10 H new ATOM 1496 N VAL A 102 4.002 0.751 9.950 1.00 73.31 N ATOM 1497 CA VAL A 102 4.310 1.807 10.877 1.00 61.35 C ATOM 1498 C VAL A 102 4.415 3.129 10.130 1.00 43.44 C ATOM 1499 O VAL A 102 5.185 3.260 9.174 1.00 24.42 O ATOM 1500 CB VAL A 102 5.624 1.524 11.663 1.00 72.05 C ATOM 1501 CG1 VAL A 102 5.944 2.654 12.642 1.00 60.52 C ATOM 1502 CG2 VAL A 102 5.518 0.202 12.408 1.00 63.34 C ATOM 0 H VAL A 102 4.732 0.567 9.262 1.00 73.31 H new ATOM 0 HA VAL A 102 3.502 1.862 11.606 1.00 61.35 H new ATOM 0 HB VAL A 102 6.438 1.464 10.940 1.00 72.05 H new ATOM 0 HG11 VAL A 102 6.867 2.424 13.174 1.00 60.52 H new ATOM 0 HG12 VAL A 102 6.064 3.588 12.093 1.00 60.52 H new ATOM 0 HG13 VAL A 102 5.129 2.757 13.358 1.00 60.52 H new ATOM 0 HG21 VAL A 102 6.443 0.016 12.953 1.00 63.34 H new ATOM 0 HG22 VAL A 102 4.686 0.246 13.110 1.00 63.34 H new ATOM 0 HG23 VAL A 102 5.349 -0.605 11.695 1.00 63.34 H new ATOM 1512 N ASP A 103 3.621 4.065 10.549 1.00 33.40 N ATOM 1513 CA ASP A 103 3.575 5.394 9.988 1.00 63.31 C ATOM 1514 C ASP A 103 4.569 6.307 10.658 1.00 60.41 C ATOM 1515 O ASP A 103 4.657 6.365 11.896 1.00 64.52 O ATOM 1516 CB ASP A 103 2.161 5.989 10.110 1.00 60.42 C ATOM 1517 CG ASP A 103 2.124 7.496 9.905 1.00 72.03 C ATOM 1518 OD1 ASP A 103 2.413 7.965 8.804 1.00 3.31 O ATOM 1519 OD2 ASP A 103 1.774 8.235 10.856 1.00 41.43 O ATOM 0 H ASP A 103 2.963 3.928 11.316 1.00 33.40 H new ATOM 0 HA ASP A 103 3.838 5.311 8.933 1.00 63.31 H new ATOM 0 HB2 ASP A 103 1.509 5.513 9.377 1.00 60.42 H new ATOM 0 HB3 ASP A 103 1.758 5.753 11.095 1.00 60.42 H new ATOM 1524 N VAL A 104 5.316 6.996 9.844 1.00 24.31 N ATOM 1525 CA VAL A 104 6.266 7.983 10.276 1.00 24.34 C ATOM 1526 C VAL A 104 6.019 9.271 9.483 1.00 2.21 C ATOM 1527 O VAL A 104 6.825 10.215 9.512 1.00 21.11 O ATOM 1528 CB VAL A 104 7.749 7.517 10.106 1.00 0.21 C ATOM 1529 CG1 VAL A 104 8.061 6.330 11.008 1.00 53.13 C ATOM 1530 CG2 VAL A 104 8.057 7.167 8.660 1.00 53.24 C ATOM 0 H VAL A 104 5.280 6.884 8.831 1.00 24.31 H new ATOM 0 HA VAL A 104 6.121 8.150 11.343 1.00 24.34 H new ATOM 0 HB VAL A 104 8.384 8.353 10.401 1.00 0.21 H new ATOM 0 HG11 VAL A 104 9.099 6.029 10.867 1.00 53.13 H new ATOM 0 HG12 VAL A 104 7.903 6.613 12.049 1.00 53.13 H new ATOM 0 HG13 VAL A 104 7.404 5.498 10.754 1.00 53.13 H new ATOM 0 HG21 VAL A 104 9.096 6.847 8.576 1.00 53.24 H new ATOM 0 HG22 VAL A 104 7.401 6.360 8.333 1.00 53.24 H new ATOM 0 HG23 VAL A 104 7.895 8.043 8.031 1.00 53.24 H new ATOM 1540 N GLY A 105 4.888 9.313 8.806 1.00 13.11 N ATOM 1541 CA GLY A 105 4.505 10.444 8.014 1.00 2.20 C ATOM 1542 C GLY A 105 3.304 11.108 8.616 1.00 74.51 C ATOM 1543 O GLY A 105 2.462 11.670 7.915 1.00 32.12 O ATOM 0 H GLY A 105 4.210 8.551 8.796 1.00 13.11 H new ATOM 0 HA2 GLY A 105 5.331 11.153 7.954 1.00 2.20 H new ATOM 0 HA3 GLY A 105 4.283 10.127 6.995 1.00 2.20 H new ATOM 1547 N SER A 106 3.257 11.082 9.937 1.00 71.31 N ATOM 1548 CA SER A 106 2.177 11.643 10.738 1.00 33.55 C ATOM 1549 C SER A 106 2.053 13.172 10.524 1.00 22.24 C ATOM 1550 O SER A 106 1.063 13.786 10.907 1.00 75.22 O ATOM 1551 CB SER A 106 2.487 11.339 12.190 1.00 41.12 C ATOM 1552 OG SER A 106 2.991 10.005 12.309 1.00 53.01 O ATOM 0 H SER A 106 3.992 10.657 10.502 1.00 71.31 H new ATOM 0 HA SER A 106 1.226 11.202 10.441 1.00 33.55 H new ATOM 0 HB2 SER A 106 3.220 12.050 12.571 1.00 41.12 H new ATOM 0 HB3 SER A 106 1.588 11.453 12.795 1.00 41.12 H new ATOM 0 HG SER A 106 2.336 9.374 11.944 1.00 53.01 H new ATOM 1558 N LEU A 107 3.062 13.746 9.870 1.00 25.24 N ATOM 1559 CA LEU A 107 3.122 15.162 9.547 1.00 54.21 C ATOM 1560 C LEU A 107 2.092 15.467 8.449 1.00 40.24 C ATOM 1561 O LEU A 107 1.592 16.595 8.323 1.00 43.30 O ATOM 1562 CB LEU A 107 4.541 15.560 9.027 1.00 33.51 C ATOM 1563 CG LEU A 107 5.793 15.264 9.916 1.00 51.13 C ATOM 1564 CD1 LEU A 107 5.617 15.749 11.336 1.00 61.42 C ATOM 1565 CD2 LEU A 107 6.227 13.795 9.879 1.00 20.24 C ATOM 0 H LEU A 107 3.876 13.224 9.545 1.00 25.24 H new ATOM 0 HA LEU A 107 2.907 15.732 10.451 1.00 54.21 H new ATOM 0 HB2 LEU A 107 4.692 15.058 8.071 1.00 33.51 H new ATOM 0 HB3 LEU A 107 4.528 16.631 8.826 1.00 33.51 H new ATOM 0 HG LEU A 107 6.605 15.839 9.471 1.00 51.13 H new ATOM 0 HD11 LEU A 107 6.513 15.520 11.912 1.00 61.42 H new ATOM 0 HD12 LEU A 107 5.452 16.826 11.335 1.00 61.42 H new ATOM 0 HD13 LEU A 107 4.759 15.251 11.787 1.00 61.42 H new ATOM 0 HD21 LEU A 107 7.100 13.657 10.517 1.00 20.24 H new ATOM 0 HD22 LEU A 107 5.413 13.166 10.238 1.00 20.24 H new ATOM 0 HD23 LEU A 107 6.477 13.515 8.856 1.00 20.24 H new ATOM 1577 N ASN A 108 1.785 14.443 7.666 1.00 1.05 N ATOM 1578 CA ASN A 108 0.828 14.545 6.579 1.00 70.41 C ATOM 1579 C ASN A 108 -0.561 14.196 7.099 1.00 75.00 C ATOM 1580 O ASN A 108 -1.585 14.569 6.509 1.00 11.42 O ATOM 1581 CB ASN A 108 1.217 13.613 5.396 1.00 62.22 C ATOM 1582 CG ASN A 108 2.566 13.959 4.732 1.00 1.21 C ATOM 1583 OD1 ASN A 108 3.501 14.451 5.377 1.00 22.50 O ATOM 1584 ND2 ASN A 108 2.674 13.709 3.448 1.00 65.12 N ATOM 0 H ASN A 108 2.196 13.515 7.769 1.00 1.05 H new ATOM 0 HA ASN A 108 0.831 15.568 6.204 1.00 70.41 H new ATOM 0 HB2 ASN A 108 1.256 12.585 5.756 1.00 62.22 H new ATOM 0 HB3 ASN A 108 0.432 13.657 4.641 1.00 62.22 H new ATOM 0 HD21 ASN A 108 3.544 13.921 2.959 1.00 65.12 H new ATOM 0 HD22 ASN A 108 1.888 13.303 2.940 1.00 65.12 H new ATOM 1591 N GLY A 109 -0.595 13.525 8.235 1.00 72.25 N ATOM 1592 CA GLY A 109 -1.847 13.160 8.863 1.00 25.25 C ATOM 1593 C GLY A 109 -2.417 11.873 8.318 1.00 13.14 C ATOM 1594 O GLY A 109 -3.468 11.876 7.689 1.00 60.44 O ATOM 0 H GLY A 109 0.236 13.221 8.743 1.00 72.25 H new ATOM 0 HA2 GLY A 109 -1.694 13.059 9.937 1.00 25.25 H new ATOM 0 HA3 GLY A 109 -2.570 13.963 8.718 1.00 25.25 H new ATOM 1598 N THR A 110 -1.689 10.807 8.506 1.00 55.50 N ATOM 1599 CA THR A 110 -2.091 9.473 8.120 1.00 20.14 C ATOM 1600 C THR A 110 -3.334 8.981 8.901 1.00 24.21 C ATOM 1601 O THR A 110 -3.431 9.153 10.129 1.00 33.25 O ATOM 1602 CB THR A 110 -0.926 8.555 8.443 1.00 54.42 C ATOM 1603 OG1 THR A 110 0.267 9.191 7.967 1.00 51.53 O ATOM 1604 CG2 THR A 110 -1.092 7.194 7.777 1.00 53.21 C ATOM 0 H THR A 110 -0.769 10.839 8.946 1.00 55.50 H new ATOM 0 HA THR A 110 -2.352 9.473 7.062 1.00 20.14 H new ATOM 0 HB THR A 110 -0.878 8.385 9.519 1.00 54.42 H new ATOM 0 HG1 THR A 110 0.291 9.151 6.988 1.00 51.53 H new ATOM 0 HG21 THR A 110 -0.242 6.560 8.028 1.00 53.21 H new ATOM 0 HG22 THR A 110 -2.011 6.726 8.131 1.00 53.21 H new ATOM 0 HG23 THR A 110 -1.143 7.322 6.696 1.00 53.21 H new ATOM 1612 N TYR A 111 -4.277 8.379 8.193 1.00 44.51 N ATOM 1613 CA TYR A 111 -5.424 7.770 8.825 1.00 72.42 C ATOM 1614 C TYR A 111 -5.511 6.338 8.352 1.00 14.31 C ATOM 1615 O TYR A 111 -5.518 6.081 7.154 1.00 2.41 O ATOM 1616 CB TYR A 111 -6.745 8.496 8.477 1.00 25.31 C ATOM 1617 CG TYR A 111 -6.841 9.939 8.933 1.00 41.54 C ATOM 1618 CD1 TYR A 111 -7.298 10.262 10.204 1.00 30.25 C ATOM 1619 CD2 TYR A 111 -6.481 10.975 8.087 1.00 2.21 C ATOM 1620 CE1 TYR A 111 -7.390 11.581 10.618 1.00 32.23 C ATOM 1621 CE2 TYR A 111 -6.568 12.290 8.492 1.00 40.11 C ATOM 1622 CZ TYR A 111 -7.020 12.591 9.756 1.00 11.33 C ATOM 1623 OH TYR A 111 -7.104 13.916 10.157 1.00 10.45 O ATOM 0 H TYR A 111 -4.265 8.302 7.176 1.00 44.51 H new ATOM 0 HA TYR A 111 -5.294 7.833 9.905 1.00 72.42 H new ATOM 0 HB2 TYR A 111 -6.881 8.466 7.396 1.00 25.31 H new ATOM 0 HB3 TYR A 111 -7.572 7.939 8.918 1.00 25.31 H new ATOM 0 HD1 TYR A 111 -7.587 9.472 10.881 1.00 30.25 H new ATOM 0 HD2 TYR A 111 -6.126 10.749 7.092 1.00 2.21 H new ATOM 0 HE1 TYR A 111 -7.749 11.816 11.609 1.00 32.23 H new ATOM 0 HE2 TYR A 111 -6.282 13.083 7.817 1.00 40.11 H new ATOM 0 HH TYR A 111 -6.969 13.974 11.126 1.00 10.45 H new ATOM 1633 N VAL A 112 -5.577 5.424 9.258 1.00 0.12 N ATOM 1634 CA VAL A 112 -5.707 4.037 8.916 1.00 33.44 C ATOM 1635 C VAL A 112 -7.114 3.634 9.265 1.00 25.00 C ATOM 1636 O VAL A 112 -7.514 3.736 10.425 1.00 72.12 O ATOM 1637 CB VAL A 112 -4.688 3.142 9.683 1.00 25.54 C ATOM 1638 CG1 VAL A 112 -4.808 1.683 9.249 1.00 61.30 C ATOM 1639 CG2 VAL A 112 -3.261 3.641 9.474 1.00 52.21 C ATOM 0 H VAL A 112 -5.543 5.611 10.260 1.00 0.12 H new ATOM 0 HA VAL A 112 -5.497 3.900 7.855 1.00 33.44 H new ATOM 0 HB VAL A 112 -4.923 3.205 10.745 1.00 25.54 H new ATOM 0 HG11 VAL A 112 -4.086 1.079 9.799 1.00 61.30 H new ATOM 0 HG12 VAL A 112 -5.816 1.323 9.457 1.00 61.30 H new ATOM 0 HG13 VAL A 112 -4.608 1.604 8.180 1.00 61.30 H new ATOM 0 HG21 VAL A 112 -2.568 3.000 10.019 1.00 52.21 H new ATOM 0 HG22 VAL A 112 -3.019 3.616 8.412 1.00 52.21 H new ATOM 0 HG23 VAL A 112 -3.176 4.663 9.842 1.00 52.21 H new ATOM 1649 N ASN A 113 -7.869 3.241 8.250 1.00 4.25 N ATOM 1650 CA ASN A 113 -9.281 2.861 8.373 1.00 11.21 C ATOM 1651 C ASN A 113 -10.067 3.959 9.118 1.00 1.54 C ATOM 1652 O ASN A 113 -10.725 3.716 10.136 1.00 51.34 O ATOM 1653 CB ASN A 113 -9.421 1.480 9.029 1.00 74.34 C ATOM 1654 CG ASN A 113 -10.806 0.851 8.869 1.00 13.40 C ATOM 1655 OD1 ASN A 113 -11.830 1.523 8.810 1.00 52.04 O ATOM 1656 ND2 ASN A 113 -10.823 -0.439 8.749 1.00 13.25 N ATOM 0 H ASN A 113 -7.516 3.174 7.295 1.00 4.25 H new ATOM 0 HA ASN A 113 -9.716 2.775 7.377 1.00 11.21 H new ATOM 0 HB2 ASN A 113 -8.677 0.809 8.600 1.00 74.34 H new ATOM 0 HB3 ASN A 113 -9.195 1.570 10.092 1.00 74.34 H new ATOM 0 HD21 ASN A 113 -11.707 -0.926 8.600 1.00 13.25 H new ATOM 0 HD22 ASN A 113 -9.952 -0.968 8.803 1.00 13.25 H new ATOM 1663 N ARG A 114 -9.872 5.192 8.638 1.00 62.55 N ATOM 1664 CA ARG A 114 -10.528 6.420 9.143 1.00 42.42 C ATOM 1665 C ARG A 114 -10.037 6.856 10.527 1.00 72.03 C ATOM 1666 O ARG A 114 -10.577 7.808 11.090 1.00 61.22 O ATOM 1667 CB ARG A 114 -12.053 6.260 9.235 1.00 1.43 C ATOM 1668 CG ARG A 114 -12.829 6.124 7.942 1.00 43.45 C ATOM 1669 CD ARG A 114 -14.311 5.909 8.257 1.00 15.00 C ATOM 1670 NE ARG A 114 -14.788 6.869 9.277 1.00 70.44 N ATOM 1671 CZ ARG A 114 -15.941 7.547 9.262 1.00 31.13 C ATOM 1672 NH1 ARG A 114 -16.842 7.336 8.316 1.00 71.03 N ATOM 1673 NH2 ARG A 114 -16.209 8.401 10.240 1.00 54.35 N ATOM 0 H ARG A 114 -9.235 5.377 7.863 1.00 62.55 H new ATOM 0 HA ARG A 114 -10.259 7.182 8.412 1.00 42.42 H new ATOM 0 HB2 ARG A 114 -12.261 5.380 9.844 1.00 1.43 H new ATOM 0 HB3 ARG A 114 -12.448 7.121 9.773 1.00 1.43 H new ATOM 0 HG2 ARG A 114 -12.702 7.019 7.333 1.00 43.45 H new ATOM 0 HG3 ARG A 114 -12.444 5.286 7.361 1.00 43.45 H new ATOM 0 HD2 ARG A 114 -14.899 6.021 7.346 1.00 15.00 H new ATOM 0 HD3 ARG A 114 -14.465 4.890 8.613 1.00 15.00 H new ATOM 0 HE ARG A 114 -14.173 7.031 10.075 1.00 70.44 H new ATOM 0 HH11 ARG A 114 -16.662 6.648 7.585 1.00 71.03 H new ATOM 0 HH12 ARG A 114 -17.716 7.861 8.318 1.00 71.03 H new ATOM 0 HH21 ARG A 114 -15.538 8.537 10.996 1.00 54.35 H new ATOM 0 HH22 ARG A 114 -17.086 8.922 10.236 1.00 54.35 H new ATOM 1687 N GLU A 115 -9.015 6.238 11.061 1.00 12.41 N ATOM 1688 CA GLU A 115 -8.571 6.612 12.380 1.00 50.33 C ATOM 1689 C GLU A 115 -7.081 6.896 12.398 1.00 31.14 C ATOM 1690 O GLU A 115 -6.314 6.186 11.753 1.00 1.22 O ATOM 1691 CB GLU A 115 -8.932 5.521 13.405 1.00 2.24 C ATOM 1692 CG GLU A 115 -10.429 5.238 13.492 1.00 15.21 C ATOM 1693 CD GLU A 115 -10.796 4.309 14.609 1.00 31.23 C ATOM 1694 OE1 GLU A 115 -10.973 4.777 15.743 1.00 44.14 O ATOM 1695 OE2 GLU A 115 -10.962 3.101 14.377 1.00 14.51 O ATOM 0 H GLU A 115 -8.484 5.490 10.615 1.00 12.41 H new ATOM 0 HA GLU A 115 -9.088 7.530 12.660 1.00 50.33 H new ATOM 0 HB2 GLU A 115 -8.411 4.600 13.142 1.00 2.24 H new ATOM 0 HB3 GLU A 115 -8.570 5.823 14.388 1.00 2.24 H new ATOM 0 HG2 GLU A 115 -10.962 6.180 13.623 1.00 15.21 H new ATOM 0 HG3 GLU A 115 -10.766 4.810 12.548 1.00 15.21 H new ATOM 1702 N PRO A 116 -6.648 7.966 13.100 1.00 53.34 N ATOM 1703 CA PRO A 116 -5.229 8.272 13.251 1.00 10.53 C ATOM 1704 C PRO A 116 -4.548 7.105 13.943 1.00 12.12 C ATOM 1705 O PRO A 116 -4.979 6.666 15.017 1.00 2.23 O ATOM 1706 CB PRO A 116 -5.202 9.507 14.165 1.00 4.24 C ATOM 1707 CG PRO A 116 -6.574 10.079 14.104 1.00 21.34 C ATOM 1708 CD PRO A 116 -7.505 8.941 13.790 1.00 63.14 C ATOM 0 HA PRO A 116 -4.722 8.447 12.302 1.00 10.53 H new ATOM 0 HB2 PRO A 116 -4.936 9.233 15.186 1.00 4.24 H new ATOM 0 HB3 PRO A 116 -4.460 10.230 13.825 1.00 4.24 H new ATOM 0 HG2 PRO A 116 -6.841 10.546 15.052 1.00 21.34 H new ATOM 0 HG3 PRO A 116 -6.637 10.852 13.339 1.00 21.34 H new ATOM 0 HD2 PRO A 116 -7.941 8.520 14.696 1.00 63.14 H new ATOM 0 HD3 PRO A 116 -8.332 9.264 13.158 1.00 63.14 H new ATOM 1716 N ARG A 117 -3.545 6.571 13.320 1.00 30.01 N ATOM 1717 CA ARG A 117 -2.888 5.406 13.822 1.00 44.01 C ATOM 1718 C ARG A 117 -1.461 5.441 13.363 1.00 54.02 C ATOM 1719 O ARG A 117 -1.188 5.852 12.234 1.00 41.25 O ATOM 1720 CB ARG A 117 -3.610 4.156 13.282 1.00 31.53 C ATOM 1721 CG ARG A 117 -3.090 2.816 13.783 1.00 64.54 C ATOM 1722 CD ARG A 117 -3.207 2.679 15.296 1.00 33.55 C ATOM 1723 NE ARG A 117 -4.579 2.895 15.784 1.00 34.35 N ATOM 1724 CZ ARG A 117 -5.328 1.979 16.422 1.00 61.44 C ATOM 1725 NH1 ARG A 117 -4.908 0.727 16.537 1.00 52.14 N ATOM 1726 NH2 ARG A 117 -6.507 2.324 16.917 1.00 12.25 N ATOM 0 H ARG A 117 -3.158 6.931 12.448 1.00 30.01 H new ATOM 0 HA ARG A 117 -2.913 5.376 14.911 1.00 44.01 H new ATOM 0 HB2 ARG A 117 -4.667 4.232 13.539 1.00 31.53 H new ATOM 0 HB3 ARG A 117 -3.545 4.165 12.194 1.00 31.53 H new ATOM 0 HG2 ARG A 117 -3.646 2.011 13.303 1.00 64.54 H new ATOM 0 HG3 ARG A 117 -2.047 2.701 13.490 1.00 64.54 H new ATOM 0 HD2 ARG A 117 -2.873 1.685 15.593 1.00 33.55 H new ATOM 0 HD3 ARG A 117 -2.539 3.396 15.774 1.00 33.55 H new ATOM 0 HE ARG A 117 -4.994 3.813 15.625 1.00 34.35 H new ATOM 0 HH11 ARG A 117 -4.010 0.452 16.140 1.00 52.14 H new ATOM 0 HH12 ARG A 117 -5.483 0.039 17.023 1.00 52.14 H new ATOM 0 HH21 ARG A 117 -6.843 3.281 16.813 1.00 12.25 H new ATOM 0 HH22 ARG A 117 -7.079 1.632 17.402 1.00 12.25 H new ATOM 1740 N ASN A 118 -0.556 5.085 14.234 1.00 54.13 N ATOM 1741 CA ASN A 118 0.843 5.071 13.880 1.00 64.11 C ATOM 1742 C ASN A 118 1.269 3.685 13.442 1.00 2.32 C ATOM 1743 O ASN A 118 1.789 3.516 12.375 1.00 32.24 O ATOM 1744 CB ASN A 118 1.737 5.583 15.021 1.00 24.21 C ATOM 1745 CG ASN A 118 1.377 6.995 15.470 1.00 12.30 C ATOM 1746 OD1 ASN A 118 0.587 7.179 16.397 1.00 32.24 O ATOM 1747 ND2 ASN A 118 1.935 7.999 14.823 1.00 52.01 N ATOM 0 H ASN A 118 -0.758 4.801 15.192 1.00 54.13 H new ATOM 0 HA ASN A 118 0.971 5.757 13.043 1.00 64.11 H new ATOM 0 HB2 ASN A 118 1.656 4.905 15.871 1.00 24.21 H new ATOM 0 HB3 ASN A 118 2.777 5.565 14.697 1.00 24.21 H new ATOM 0 HD21 ASN A 118 1.716 8.960 15.086 1.00 52.01 H new ATOM 0 HD22 ASN A 118 2.586 7.815 14.059 1.00 52.01 H new ATOM 1754 N ALA A 119 1.016 2.689 14.247 1.00 54.42 N ATOM 1755 CA ALA A 119 1.388 1.338 13.887 1.00 64.30 C ATOM 1756 C ALA A 119 0.154 0.477 13.861 1.00 51.54 C ATOM 1757 O ALA A 119 -0.704 0.598 14.737 1.00 14.51 O ATOM 1758 CB ALA A 119 2.408 0.789 14.865 1.00 50.03 C ATOM 0 H ALA A 119 0.556 2.781 15.153 1.00 54.42 H new ATOM 0 HA ALA A 119 1.844 1.339 12.897 1.00 64.30 H new ATOM 0 HB1 ALA A 119 2.676 -0.228 14.579 1.00 50.03 H new ATOM 0 HB2 ALA A 119 3.299 1.417 14.852 1.00 50.03 H new ATOM 0 HB3 ALA A 119 1.983 0.783 15.869 1.00 50.03 H new ATOM 1764 N GLN A 120 0.031 -0.354 12.858 1.00 72.24 N ATOM 1765 CA GLN A 120 -1.138 -1.198 12.716 1.00 75.24 C ATOM 1766 C GLN A 120 -0.728 -2.470 11.959 1.00 51.25 C ATOM 1767 O GLN A 120 0.070 -2.407 11.027 1.00 20.34 O ATOM 1768 CB GLN A 120 -2.217 -0.425 11.912 1.00 74.31 C ATOM 1769 CG GLN A 120 -3.687 -0.696 12.296 1.00 64.53 C ATOM 1770 CD GLN A 120 -4.111 -2.142 12.186 1.00 2.24 C ATOM 1771 OE1 GLN A 120 -4.014 -2.901 13.144 1.00 64.33 O ATOM 1772 NE2 GLN A 120 -4.566 -2.539 11.034 1.00 15.02 N ATOM 0 H GLN A 120 0.727 -0.468 12.122 1.00 72.24 H new ATOM 0 HA GLN A 120 -1.542 -1.468 13.692 1.00 75.24 H new ATOM 0 HB2 GLN A 120 -2.026 0.642 12.024 1.00 74.31 H new ATOM 0 HB3 GLN A 120 -2.091 -0.663 10.856 1.00 74.31 H new ATOM 0 HG2 GLN A 120 -3.849 -0.361 13.321 1.00 64.53 H new ATOM 0 HG3 GLN A 120 -4.332 -0.093 11.658 1.00 64.53 H new ATOM 0 HE21 GLN A 120 -4.633 -1.881 10.258 1.00 15.02 H new ATOM 0 HE22 GLN A 120 -4.855 -3.509 10.907 1.00 15.02 H new ATOM 1781 N VAL A 121 -1.253 -3.600 12.366 1.00 42.03 N ATOM 1782 CA VAL A 121 -0.997 -4.852 11.682 1.00 22.23 C ATOM 1783 C VAL A 121 -2.167 -5.040 10.759 1.00 15.23 C ATOM 1784 O VAL A 121 -3.308 -5.207 11.214 1.00 13.20 O ATOM 1785 CB VAL A 121 -0.884 -6.056 12.656 1.00 11.32 C ATOM 1786 CG1 VAL A 121 -0.558 -7.337 11.893 1.00 5.40 C ATOM 1787 CG2 VAL A 121 0.171 -5.792 13.724 1.00 42.14 C ATOM 0 H VAL A 121 -1.867 -3.682 13.176 1.00 42.03 H new ATOM 0 HA VAL A 121 -0.042 -4.812 11.158 1.00 22.23 H new ATOM 0 HB VAL A 121 -1.848 -6.182 13.149 1.00 11.32 H new ATOM 0 HG11 VAL A 121 -0.483 -8.169 12.594 1.00 5.40 H new ATOM 0 HG12 VAL A 121 -1.348 -7.541 11.170 1.00 5.40 H new ATOM 0 HG13 VAL A 121 0.390 -7.217 11.369 1.00 5.40 H new ATOM 0 HG21 VAL A 121 0.232 -6.649 14.395 1.00 42.14 H new ATOM 0 HG22 VAL A 121 1.139 -5.634 13.248 1.00 42.14 H new ATOM 0 HG23 VAL A 121 -0.103 -4.904 14.294 1.00 42.14 H new ATOM 1797 N MET A 122 -1.916 -5.008 9.492 1.00 24.22 N ATOM 1798 CA MET A 122 -2.999 -4.886 8.566 1.00 74.33 C ATOM 1799 C MET A 122 -3.569 -6.189 8.107 1.00 23.44 C ATOM 1800 O MET A 122 -2.872 -7.188 7.954 1.00 43.35 O ATOM 1801 CB MET A 122 -2.650 -3.977 7.406 1.00 62.22 C ATOM 1802 CG MET A 122 -2.285 -2.570 7.847 1.00 4.32 C ATOM 1803 SD MET A 122 -2.117 -1.427 6.480 1.00 44.33 S ATOM 1804 CE MET A 122 -3.805 -1.359 5.931 1.00 54.41 C ATOM 0 H MET A 122 -0.986 -5.063 9.076 1.00 24.22 H new ATOM 0 HA MET A 122 -3.803 -4.413 9.130 1.00 74.33 H new ATOM 0 HB2 MET A 122 -1.815 -4.407 6.852 1.00 62.22 H new ATOM 0 HB3 MET A 122 -3.496 -3.930 6.721 1.00 62.22 H new ATOM 0 HG2 MET A 122 -3.049 -2.200 8.530 1.00 4.32 H new ATOM 0 HG3 MET A 122 -1.348 -2.602 8.404 1.00 4.32 H new ATOM 0 HE1 MET A 122 -3.866 -0.772 5.015 1.00 54.41 H new ATOM 0 HE2 MET A 122 -4.166 -2.369 5.739 1.00 54.41 H new ATOM 0 HE3 MET A 122 -4.420 -0.894 6.702 1.00 54.41 H new ATOM 1814 N GLN A 123 -4.852 -6.149 7.904 1.00 44.04 N ATOM 1815 CA GLN A 123 -5.648 -7.263 7.491 1.00 14.42 C ATOM 1816 C GLN A 123 -6.135 -7.014 6.083 1.00 14.01 C ATOM 1817 O GLN A 123 -6.138 -5.864 5.627 1.00 63.12 O ATOM 1818 CB GLN A 123 -6.848 -7.430 8.422 1.00 22.43 C ATOM 1819 CG GLN A 123 -6.498 -7.694 9.881 1.00 31.21 C ATOM 1820 CD GLN A 123 -7.730 -7.951 10.725 1.00 15.54 C ATOM 1821 OE1 GLN A 123 -8.726 -8.486 10.244 1.00 25.32 O ATOM 1822 NE2 GLN A 123 -7.685 -7.568 11.966 1.00 63.43 N ATOM 0 H GLN A 123 -5.397 -5.296 8.028 1.00 44.04 H new ATOM 0 HA GLN A 123 -5.048 -8.172 7.528 1.00 14.42 H new ATOM 0 HB2 GLN A 123 -7.459 -6.529 8.368 1.00 22.43 H new ATOM 0 HB3 GLN A 123 -7.461 -8.254 8.056 1.00 22.43 H new ATOM 0 HG2 GLN A 123 -5.831 -8.553 9.943 1.00 31.21 H new ATOM 0 HG3 GLN A 123 -5.955 -6.839 10.284 1.00 31.21 H new ATOM 0 HE21 GLN A 123 -6.842 -7.127 12.333 1.00 63.43 H new ATOM 0 HE22 GLN A 123 -8.493 -7.709 12.573 1.00 63.43 H new ATOM 1831 N THR A 124 -6.490 -8.067 5.385 1.00 42.24 N ATOM 1832 CA THR A 124 -7.023 -7.965 4.048 1.00 33.40 C ATOM 1833 C THR A 124 -8.283 -7.092 4.056 1.00 74.40 C ATOM 1834 O THR A 124 -9.245 -7.398 4.768 1.00 0.51 O ATOM 1835 CB THR A 124 -7.420 -9.367 3.572 1.00 62.12 C ATOM 1836 OG1 THR A 124 -6.320 -10.255 3.778 1.00 51.22 O ATOM 1837 CG2 THR A 124 -7.801 -9.371 2.101 1.00 13.14 C ATOM 0 H THR A 124 -6.417 -9.024 5.731 1.00 42.24 H new ATOM 0 HA THR A 124 -6.272 -7.526 3.392 1.00 33.40 H new ATOM 0 HB THR A 124 -8.289 -9.691 4.145 1.00 62.12 H new ATOM 0 HG1 THR A 124 -6.640 -11.181 3.761 1.00 51.22 H new ATOM 0 HG21 THR A 124 -8.076 -10.382 1.799 1.00 13.14 H new ATOM 0 HG22 THR A 124 -8.647 -8.702 1.942 1.00 13.14 H new ATOM 0 HG23 THR A 124 -6.954 -9.033 1.505 1.00 13.14 H new ATOM 1845 N GLY A 125 -8.262 -6.010 3.297 1.00 34.22 N ATOM 1846 CA GLY A 125 -9.415 -5.151 3.228 1.00 1.03 C ATOM 1847 C GLY A 125 -9.286 -3.931 4.106 1.00 34.02 C ATOM 1848 O GLY A 125 -10.227 -3.146 4.231 1.00 62.12 O ATOM 0 H GLY A 125 -7.468 -5.714 2.730 1.00 34.22 H new ATOM 0 HA2 GLY A 125 -9.567 -4.836 2.196 1.00 1.03 H new ATOM 0 HA3 GLY A 125 -10.300 -5.714 3.523 1.00 1.03 H new ATOM 1852 N ASP A 126 -8.159 -3.798 4.775 1.00 74.13 N ATOM 1853 CA ASP A 126 -7.928 -2.634 5.609 1.00 33.34 C ATOM 1854 C ASP A 126 -7.308 -1.538 4.740 1.00 25.01 C ATOM 1855 O ASP A 126 -6.492 -1.833 3.849 1.00 64.45 O ATOM 1856 CB ASP A 126 -7.057 -2.992 6.821 1.00 73.34 C ATOM 1857 CG ASP A 126 -7.124 -1.954 7.914 1.00 2.42 C ATOM 1858 OD1 ASP A 126 -8.264 -1.504 8.241 1.00 61.35 O ATOM 1859 OD2 ASP A 126 -6.080 -1.641 8.530 1.00 65.22 O ATOM 0 H ASP A 126 -7.395 -4.474 4.759 1.00 74.13 H new ATOM 0 HA ASP A 126 -8.869 -2.265 6.018 1.00 33.34 H new ATOM 0 HB2 ASP A 126 -7.376 -3.955 7.220 1.00 73.34 H new ATOM 0 HB3 ASP A 126 -6.022 -3.107 6.498 1.00 73.34 H new ATOM 1864 N GLU A 127 -7.701 -0.296 4.966 1.00 42.44 N ATOM 1865 CA GLU A 127 -7.336 0.789 4.054 1.00 2.23 C ATOM 1866 C GLU A 127 -6.616 1.936 4.754 1.00 72.22 C ATOM 1867 O GLU A 127 -6.918 2.274 5.899 1.00 62.32 O ATOM 1868 CB GLU A 127 -8.585 1.320 3.359 1.00 23.21 C ATOM 1869 CG GLU A 127 -9.351 0.266 2.578 1.00 63.22 C ATOM 1870 CD GLU A 127 -10.563 0.833 1.911 1.00 31.12 C ATOM 1871 OE1 GLU A 127 -10.448 1.372 0.803 1.00 60.43 O ATOM 1872 OE2 GLU A 127 -11.661 0.792 2.488 1.00 74.24 O ATOM 0 H GLU A 127 -8.268 -0.009 5.764 1.00 42.44 H new ATOM 0 HA GLU A 127 -6.642 0.371 3.325 1.00 2.23 H new ATOM 0 HB2 GLU A 127 -9.247 1.756 4.107 1.00 23.21 H new ATOM 0 HB3 GLU A 127 -8.297 2.123 2.680 1.00 23.21 H new ATOM 0 HG2 GLU A 127 -8.696 -0.175 1.826 1.00 63.22 H new ATOM 0 HG3 GLU A 127 -9.650 -0.538 3.251 1.00 63.22 H new ATOM 1879 N ILE A 128 -5.691 2.546 4.050 1.00 11.23 N ATOM 1880 CA ILE A 128 -4.910 3.662 4.562 1.00 41.12 C ATOM 1881 C ILE A 128 -5.220 4.904 3.737 1.00 53.42 C ATOM 1882 O ILE A 128 -5.259 4.844 2.504 1.00 64.33 O ATOM 1883 CB ILE A 128 -3.374 3.405 4.474 1.00 51.32 C ATOM 1884 CG1 ILE A 128 -3.010 2.040 5.055 1.00 61.22 C ATOM 1885 CG2 ILE A 128 -2.620 4.499 5.236 1.00 74.34 C ATOM 1886 CD1 ILE A 128 -1.538 1.684 4.916 1.00 52.22 C ATOM 0 H ILE A 128 -5.452 2.283 3.094 1.00 11.23 H new ATOM 0 HA ILE A 128 -5.180 3.790 5.610 1.00 41.12 H new ATOM 0 HB ILE A 128 -3.088 3.421 3.422 1.00 51.32 H new ATOM 0 HG12 ILE A 128 -3.280 2.022 6.111 1.00 61.22 H new ATOM 0 HG13 ILE A 128 -3.607 1.274 4.560 1.00 61.22 H new ATOM 0 HG21 ILE A 128 -1.548 4.314 5.171 1.00 74.34 H new ATOM 0 HG22 ILE A 128 -2.848 5.471 4.798 1.00 74.34 H new ATOM 0 HG23 ILE A 128 -2.927 4.491 6.282 1.00 74.34 H new ATOM 0 HD11 ILE A 128 -1.359 0.701 5.352 1.00 52.22 H new ATOM 0 HD12 ILE A 128 -1.266 1.668 3.861 1.00 52.22 H new ATOM 0 HD13 ILE A 128 -0.933 2.427 5.436 1.00 52.22 H new ATOM 1898 N GLN A 129 -5.467 5.996 4.405 1.00 73.01 N ATOM 1899 CA GLN A 129 -5.695 7.261 3.756 1.00 62.35 C ATOM 1900 C GLN A 129 -4.410 8.055 3.934 1.00 63.34 C ATOM 1901 O GLN A 129 -4.042 8.427 5.066 1.00 53.23 O ATOM 1902 CB GLN A 129 -6.842 8.015 4.442 1.00 40.31 C ATOM 1903 CG GLN A 129 -7.320 9.268 3.708 1.00 12.21 C ATOM 1904 CD GLN A 129 -8.206 8.952 2.515 1.00 61.23 C ATOM 1905 OE1 GLN A 129 -7.747 8.772 1.394 1.00 43.00 O ATOM 1906 NE2 GLN A 129 -9.488 8.906 2.758 1.00 21.45 N ATOM 0 H GLN A 129 -5.517 6.036 5.423 1.00 73.01 H new ATOM 0 HA GLN A 129 -5.959 7.122 2.708 1.00 62.35 H new ATOM 0 HB2 GLN A 129 -7.686 7.335 4.557 1.00 40.31 H new ATOM 0 HB3 GLN A 129 -6.522 8.299 5.445 1.00 40.31 H new ATOM 0 HG2 GLN A 129 -7.868 9.903 4.403 1.00 12.21 H new ATOM 0 HG3 GLN A 129 -6.454 9.838 3.371 1.00 12.21 H new ATOM 0 HE21 GLN A 129 -9.833 9.061 3.705 1.00 21.45 H new ATOM 0 HE22 GLN A 129 -10.144 8.715 2.001 1.00 21.45 H new ATOM 1915 N ILE A 130 -3.715 8.250 2.857 1.00 32.00 N ATOM 1916 CA ILE A 130 -2.446 8.926 2.859 1.00 60.44 C ATOM 1917 C ILE A 130 -2.618 10.267 2.192 1.00 23.33 C ATOM 1918 O ILE A 130 -2.779 10.355 0.970 1.00 10.42 O ATOM 1919 CB ILE A 130 -1.366 8.094 2.115 1.00 25.44 C ATOM 1920 CG1 ILE A 130 -1.249 6.706 2.775 1.00 32.05 C ATOM 1921 CG2 ILE A 130 -0.021 8.827 2.118 1.00 74.04 C ATOM 1922 CD1 ILE A 130 -0.211 5.783 2.173 1.00 44.54 C ATOM 0 H ILE A 130 -4.015 7.940 1.933 1.00 32.00 H new ATOM 0 HA ILE A 130 -2.110 9.056 3.888 1.00 60.44 H new ATOM 0 HB ILE A 130 -1.662 7.964 1.074 1.00 25.44 H new ATOM 0 HG12 ILE A 130 -1.018 6.844 3.831 1.00 32.05 H new ATOM 0 HG13 ILE A 130 -2.221 6.215 2.722 1.00 32.05 H new ATOM 0 HG21 ILE A 130 0.722 8.227 1.592 1.00 74.04 H new ATOM 0 HG22 ILE A 130 -0.130 9.790 1.618 1.00 74.04 H new ATOM 0 HG23 ILE A 130 0.304 8.987 3.146 1.00 74.04 H new ATOM 0 HD11 ILE A 130 -0.211 4.835 2.711 1.00 44.54 H new ATOM 0 HD12 ILE A 130 -0.447 5.605 1.124 1.00 44.54 H new ATOM 0 HD13 ILE A 130 0.774 6.244 2.250 1.00 44.54 H new ATOM 1934 N GLY A 131 -2.630 11.306 2.993 1.00 4.11 N ATOM 1935 CA GLY A 131 -2.869 12.614 2.479 1.00 71.40 C ATOM 1936 C GLY A 131 -4.303 12.712 2.036 1.00 73.32 C ATOM 1937 O GLY A 131 -5.202 12.700 2.854 1.00 22.34 O ATOM 0 H GLY A 131 -2.476 11.261 4.000 1.00 4.11 H new ATOM 0 HA2 GLY A 131 -2.659 13.363 3.243 1.00 71.40 H new ATOM 0 HA3 GLY A 131 -2.202 12.817 1.642 1.00 71.40 H new ATOM 1941 N LYS A 132 -4.514 12.745 0.750 1.00 63.31 N ATOM 1942 CA LYS A 132 -5.852 12.784 0.213 1.00 55.04 C ATOM 1943 C LYS A 132 -6.096 11.574 -0.668 1.00 32.24 C ATOM 1944 O LYS A 132 -7.118 11.484 -1.345 1.00 20.53 O ATOM 1945 CB LYS A 132 -6.121 14.090 -0.565 1.00 34.22 C ATOM 1946 CG LYS A 132 -5.161 14.370 -1.730 1.00 53.14 C ATOM 1947 CD LYS A 132 -5.585 15.607 -2.543 1.00 32.01 C ATOM 1948 CE LYS A 132 -5.683 16.857 -1.674 1.00 23.52 C ATOM 1949 NZ LYS A 132 -6.082 18.061 -2.443 1.00 63.05 N ATOM 0 H LYS A 132 -3.774 12.746 0.048 1.00 63.31 H new ATOM 0 HA LYS A 132 -6.549 12.759 1.051 1.00 55.04 H new ATOM 0 HB2 LYS A 132 -7.139 14.058 -0.954 1.00 34.22 H new ATOM 0 HB3 LYS A 132 -6.072 14.926 0.133 1.00 34.22 H new ATOM 0 HG2 LYS A 132 -4.154 14.519 -1.342 1.00 53.14 H new ATOM 0 HG3 LYS A 132 -5.124 13.500 -2.386 1.00 53.14 H new ATOM 0 HD2 LYS A 132 -4.866 15.778 -3.344 1.00 32.01 H new ATOM 0 HD3 LYS A 132 -6.549 15.417 -3.015 1.00 32.01 H new ATOM 0 HE2 LYS A 132 -6.406 16.684 -0.877 1.00 23.52 H new ATOM 0 HE3 LYS A 132 -4.720 17.039 -1.197 1.00 23.52 H new ATOM 0 HZ1 LYS A 132 -6.199 18.865 -1.793 1.00 63.05 H new ATOM 0 HZ2 LYS A 132 -5.346 18.286 -3.143 1.00 63.05 H new ATOM 0 HZ3 LYS A 132 -6.981 17.878 -2.933 1.00 63.05 H new ATOM 1963 N PHE A 133 -5.172 10.636 -0.650 1.00 40.34 N ATOM 1964 CA PHE A 133 -5.305 9.487 -1.482 1.00 35.21 C ATOM 1965 C PHE A 133 -5.346 8.186 -0.690 1.00 63.31 C ATOM 1966 O PHE A 133 -4.688 8.039 0.325 1.00 64.34 O ATOM 1967 CB PHE A 133 -4.319 9.497 -2.652 1.00 55.13 C ATOM 1968 CG PHE A 133 -2.846 9.580 -2.358 1.00 63.11 C ATOM 1969 CD1 PHE A 133 -2.234 10.803 -2.128 1.00 43.20 C ATOM 1970 CD2 PHE A 133 -2.064 8.443 -2.375 1.00 22.35 C ATOM 1971 CE1 PHE A 133 -0.873 10.881 -1.920 1.00 5.11 C ATOM 1972 CE2 PHE A 133 -0.705 8.513 -2.160 1.00 64.34 C ATOM 1973 CZ PHE A 133 -0.108 9.733 -1.934 1.00 64.14 C ATOM 0 H PHE A 133 -4.333 10.657 -0.070 1.00 40.34 H new ATOM 0 HA PHE A 133 -6.287 9.544 -1.951 1.00 35.21 H new ATOM 0 HB2 PHE A 133 -4.489 8.591 -3.234 1.00 55.13 H new ATOM 0 HB3 PHE A 133 -4.576 10.341 -3.293 1.00 55.13 H new ATOM 0 HD1 PHE A 133 -2.830 11.704 -2.112 1.00 43.20 H new ATOM 0 HD2 PHE A 133 -2.524 7.484 -2.560 1.00 22.35 H new ATOM 0 HE1 PHE A 133 -0.407 11.839 -1.746 1.00 5.11 H new ATOM 0 HE2 PHE A 133 -0.109 7.612 -2.169 1.00 64.34 H new ATOM 0 HZ PHE A 133 0.958 9.791 -1.768 1.00 64.14 H new ATOM 1983 N ARG A 134 -6.103 7.245 -1.194 1.00 65.41 N ATOM 1984 CA ARG A 134 -6.475 6.057 -0.452 1.00 52.41 C ATOM 1985 C ARG A 134 -5.838 4.806 -1.046 1.00 44.11 C ATOM 1986 O ARG A 134 -5.863 4.595 -2.267 1.00 1.44 O ATOM 1987 CB ARG A 134 -8.002 5.967 -0.494 1.00 51.31 C ATOM 1988 CG ARG A 134 -8.656 4.848 0.288 1.00 74.14 C ATOM 1989 CD ARG A 134 -10.167 5.002 0.184 1.00 33.25 C ATOM 1990 NE ARG A 134 -10.917 3.989 0.923 1.00 53.42 N ATOM 1991 CZ ARG A 134 -12.123 4.192 1.477 1.00 63.12 C ATOM 1992 NH1 ARG A 134 -12.696 5.386 1.405 1.00 64.10 N ATOM 1993 NH2 ARG A 134 -12.745 3.203 2.106 1.00 12.55 N ATOM 0 H ARG A 134 -6.484 7.278 -2.139 1.00 65.41 H new ATOM 0 HA ARG A 134 -6.117 6.123 0.576 1.00 52.41 H new ATOM 0 HB2 ARG A 134 -8.405 6.912 -0.130 1.00 51.31 H new ATOM 0 HB3 ARG A 134 -8.305 5.871 -1.537 1.00 51.31 H new ATOM 0 HG2 ARG A 134 -8.346 3.880 -0.106 1.00 74.14 H new ATOM 0 HG3 ARG A 134 -8.343 4.882 1.332 1.00 74.14 H new ATOM 0 HD2 ARG A 134 -10.448 5.989 0.552 1.00 33.25 H new ATOM 0 HD3 ARG A 134 -10.455 4.959 -0.866 1.00 33.25 H new ATOM 0 HE ARG A 134 -10.496 3.066 1.025 1.00 53.42 H new ATOM 0 HH11 ARG A 134 -12.220 6.152 0.928 1.00 64.10 H new ATOM 0 HH12 ARG A 134 -13.612 5.538 1.827 1.00 64.10 H new ATOM 0 HH21 ARG A 134 -12.307 2.284 2.170 1.00 12.55 H new ATOM 0 HH22 ARG A 134 -13.661 3.362 2.525 1.00 12.55 H new ATOM 2007 N LEU A 135 -5.255 4.001 -0.192 1.00 61.44 N ATOM 2008 CA LEU A 135 -4.613 2.757 -0.580 1.00 63.34 C ATOM 2009 C LEU A 135 -5.268 1.603 0.160 1.00 52.50 C ATOM 2010 O LEU A 135 -5.594 1.728 1.342 1.00 60.14 O ATOM 2011 CB LEU A 135 -3.087 2.760 -0.287 1.00 52.35 C ATOM 2012 CG LEU A 135 -2.177 3.708 -1.112 1.00 34.31 C ATOM 2013 CD1 LEU A 135 -2.417 5.175 -0.795 1.00 24.52 C ATOM 2014 CD2 LEU A 135 -0.716 3.348 -0.907 1.00 22.55 C ATOM 0 H LEU A 135 -5.209 4.190 0.809 1.00 61.44 H new ATOM 0 HA LEU A 135 -4.738 2.644 -1.657 1.00 63.34 H new ATOM 0 HB2 LEU A 135 -2.952 3.005 0.767 1.00 52.35 H new ATOM 0 HB3 LEU A 135 -2.720 1.743 -0.427 1.00 52.35 H new ATOM 0 HG LEU A 135 -2.438 3.568 -2.161 1.00 34.31 H new ATOM 0 HD11 LEU A 135 -1.753 5.792 -1.401 1.00 24.52 H new ATOM 0 HD12 LEU A 135 -3.453 5.430 -1.017 1.00 24.52 H new ATOM 0 HD13 LEU A 135 -2.217 5.356 0.261 1.00 24.52 H new ATOM 0 HD21 LEU A 135 -0.090 4.022 -1.492 1.00 22.55 H new ATOM 0 HD22 LEU A 135 -0.463 3.442 0.149 1.00 22.55 H new ATOM 0 HD23 LEU A 135 -0.545 2.321 -1.231 1.00 22.55 H new ATOM 2026 N VAL A 136 -5.459 0.506 -0.524 1.00 43.31 N ATOM 2027 CA VAL A 136 -6.095 -0.667 0.049 1.00 54.33 C ATOM 2028 C VAL A 136 -5.062 -1.771 0.166 1.00 54.21 C ATOM 2029 O VAL A 136 -4.335 -2.055 -0.796 1.00 72.14 O ATOM 2030 CB VAL A 136 -7.257 -1.177 -0.853 1.00 30.21 C ATOM 2031 CG1 VAL A 136 -7.991 -2.356 -0.212 1.00 3.35 C ATOM 2032 CG2 VAL A 136 -8.225 -0.056 -1.182 1.00 13.43 C ATOM 0 H VAL A 136 -5.179 0.393 -1.498 1.00 43.31 H new ATOM 0 HA VAL A 136 -6.500 -0.397 1.024 1.00 54.33 H new ATOM 0 HB VAL A 136 -6.814 -1.529 -1.785 1.00 30.21 H new ATOM 0 HG11 VAL A 136 -8.795 -2.685 -0.870 1.00 3.35 H new ATOM 0 HG12 VAL A 136 -7.292 -3.177 -0.054 1.00 3.35 H new ATOM 0 HG13 VAL A 136 -8.409 -2.047 0.746 1.00 3.35 H new ATOM 0 HG21 VAL A 136 -9.026 -0.441 -1.813 1.00 13.43 H new ATOM 0 HG22 VAL A 136 -8.649 0.341 -0.260 1.00 13.43 H new ATOM 0 HG23 VAL A 136 -7.697 0.738 -1.710 1.00 13.43 H new ATOM 2042 N PHE A 137 -4.975 -2.368 1.322 1.00 41.01 N ATOM 2043 CA PHE A 137 -4.045 -3.436 1.556 1.00 64.25 C ATOM 2044 C PHE A 137 -4.795 -4.755 1.566 1.00 51.00 C ATOM 2045 O PHE A 137 -5.816 -4.899 2.261 1.00 54.25 O ATOM 2046 CB PHE A 137 -3.331 -3.212 2.894 1.00 65.02 C ATOM 2047 CG PHE A 137 -2.323 -4.266 3.261 1.00 75.51 C ATOM 2048 CD1 PHE A 137 -1.021 -4.179 2.807 1.00 53.13 C ATOM 2049 CD2 PHE A 137 -2.680 -5.339 4.070 1.00 1.53 C ATOM 2050 CE1 PHE A 137 -0.093 -5.138 3.148 1.00 41.25 C ATOM 2051 CE2 PHE A 137 -1.755 -6.300 4.410 1.00 24.41 C ATOM 2052 CZ PHE A 137 -0.460 -6.198 3.950 1.00 54.22 C ATOM 0 H PHE A 137 -5.549 -2.127 2.130 1.00 41.01 H new ATOM 0 HA PHE A 137 -3.297 -3.459 0.764 1.00 64.25 H new ATOM 0 HB2 PHE A 137 -2.828 -2.245 2.863 1.00 65.02 H new ATOM 0 HB3 PHE A 137 -4.080 -3.157 3.684 1.00 65.02 H new ATOM 0 HD1 PHE A 137 -0.728 -3.351 2.179 1.00 53.13 H new ATOM 0 HD2 PHE A 137 -3.693 -5.419 4.435 1.00 1.53 H new ATOM 0 HE1 PHE A 137 0.922 -5.060 2.787 1.00 41.25 H new ATOM 0 HE2 PHE A 137 -2.043 -7.132 5.036 1.00 24.41 H new ATOM 0 HZ PHE A 137 0.268 -6.949 4.218 1.00 54.22 H new ATOM 2062 N LEU A 138 -4.337 -5.706 0.796 1.00 71.31 N ATOM 2063 CA LEU A 138 -4.965 -6.985 0.794 1.00 35.53 C ATOM 2064 C LEU A 138 -3.983 -8.126 0.723 1.00 42.00 C ATOM 2065 O LEU A 138 -3.002 -8.094 -0.034 1.00 45.44 O ATOM 2066 CB LEU A 138 -6.171 -7.124 -0.210 1.00 71.44 C ATOM 2067 CG LEU A 138 -5.987 -6.899 -1.732 1.00 75.43 C ATOM 2068 CD1 LEU A 138 -5.505 -5.501 -2.084 1.00 34.40 C ATOM 2069 CD2 LEU A 138 -5.138 -7.980 -2.393 1.00 4.23 C ATOM 0 H LEU A 138 -3.537 -5.614 0.169 1.00 71.31 H new ATOM 0 HA LEU A 138 -5.434 -7.060 1.775 1.00 35.53 H new ATOM 0 HB2 LEU A 138 -6.573 -8.129 -0.085 1.00 71.44 H new ATOM 0 HB3 LEU A 138 -6.942 -6.428 0.122 1.00 71.44 H new ATOM 0 HG LEU A 138 -6.989 -6.986 -2.153 1.00 75.43 H new ATOM 0 HD11 LEU A 138 -5.398 -5.414 -3.165 1.00 34.40 H new ATOM 0 HD12 LEU A 138 -6.229 -4.767 -1.731 1.00 34.40 H new ATOM 0 HD13 LEU A 138 -4.541 -5.318 -1.608 1.00 34.40 H new ATOM 0 HD21 LEU A 138 -5.044 -7.769 -3.458 1.00 4.23 H new ATOM 0 HD22 LEU A 138 -4.148 -7.994 -1.938 1.00 4.23 H new ATOM 0 HD23 LEU A 138 -5.614 -8.951 -2.256 1.00 4.23 H new ATOM 2081 N ALA A 139 -4.226 -9.107 1.533 1.00 3.12 N ATOM 2082 CA ALA A 139 -3.436 -10.295 1.552 1.00 63.10 C ATOM 2083 C ALA A 139 -4.189 -11.310 0.763 1.00 14.21 C ATOM 2084 O ALA A 139 -5.359 -11.580 1.054 1.00 22.10 O ATOM 2085 CB ALA A 139 -3.198 -10.768 2.973 1.00 31.21 C ATOM 0 H ALA A 139 -4.990 -9.104 2.209 1.00 3.12 H new ATOM 0 HA ALA A 139 -2.450 -10.120 1.121 1.00 63.10 H new ATOM 0 HB1 ALA A 139 -2.593 -11.675 2.958 1.00 31.21 H new ATOM 0 HB2 ALA A 139 -2.675 -9.992 3.532 1.00 31.21 H new ATOM 0 HB3 ALA A 139 -4.155 -10.977 3.452 1.00 31.21 H new ATOM 2091 N GLY A 140 -3.564 -11.867 -0.219 1.00 3.42 N ATOM 2092 CA GLY A 140 -4.300 -12.708 -1.115 1.00 10.52 C ATOM 2093 C GLY A 140 -3.612 -13.063 -2.441 1.00 13.35 C ATOM 2094 O GLY A 140 -3.853 -14.160 -2.933 1.00 13.51 O ATOM 0 H GLY A 140 -2.570 -11.763 -0.423 1.00 3.42 H new ATOM 0 HA2 GLY A 140 -4.538 -13.636 -0.595 1.00 10.52 H new ATOM 0 HA3 GLY A 140 -5.247 -12.219 -1.342 1.00 10.52 H new ATOM 2098 N PRO A 141 -2.769 -12.176 -3.088 1.00 62.20 N ATOM 2099 CA PRO A 141 -2.143 -12.505 -4.381 1.00 13.32 C ATOM 2100 C PRO A 141 -1.368 -13.814 -4.396 1.00 33.31 C ATOM 2101 O PRO A 141 -0.654 -14.164 -3.448 1.00 62.32 O ATOM 2102 CB PRO A 141 -1.173 -11.346 -4.629 1.00 43.11 C ATOM 2103 CG PRO A 141 -1.088 -10.642 -3.323 1.00 2.20 C ATOM 2104 CD PRO A 141 -2.436 -10.792 -2.717 1.00 35.22 C ATOM 0 HA PRO A 141 -2.915 -12.634 -5.140 1.00 13.32 H new ATOM 0 HB2 PRO A 141 -0.196 -11.708 -4.948 1.00 43.11 H new ATOM 0 HB3 PRO A 141 -1.539 -10.684 -5.413 1.00 43.11 H new ATOM 0 HG2 PRO A 141 -0.319 -11.081 -2.688 1.00 2.20 H new ATOM 0 HG3 PRO A 141 -0.830 -9.591 -3.457 1.00 2.20 H new ATOM 0 HD2 PRO A 141 -2.419 -10.649 -1.637 1.00 35.22 H new ATOM 0 HD3 PRO A 141 -3.150 -10.075 -3.122 1.00 35.22 H new ATOM 2112 N ALA A 142 -1.489 -14.473 -5.503 1.00 73.43 N ATOM 2113 CA ALA A 142 -0.887 -15.736 -5.795 1.00 52.11 C ATOM 2114 C ALA A 142 -0.772 -15.770 -7.290 1.00 51.32 C ATOM 2115 O ALA A 142 -1.713 -16.131 -8.003 1.00 54.20 O ATOM 2116 CB ALA A 142 -1.743 -16.896 -5.281 1.00 12.44 C ATOM 0 H ALA A 142 -2.048 -14.120 -6.280 1.00 73.43 H new ATOM 0 HA ALA A 142 0.081 -15.846 -5.306 1.00 52.11 H new ATOM 0 HB1 ALA A 142 -1.256 -17.841 -5.520 1.00 12.44 H new ATOM 0 HB2 ALA A 142 -1.860 -16.811 -4.201 1.00 12.44 H new ATOM 0 HB3 ALA A 142 -2.724 -16.863 -5.756 1.00 12.44 H new ATOM 2122 N GLU A 143 0.312 -15.277 -7.756 1.00 11.01 N ATOM 2123 CA GLU A 143 0.523 -15.088 -9.151 1.00 30.35 C ATOM 2124 C GLU A 143 1.903 -15.598 -9.495 1.00 34.33 C ATOM 2125 O GLU A 143 2.884 -14.854 -9.316 1.00 38.82 O ATOM 2126 CB GLU A 143 0.379 -13.590 -9.446 1.00 73.03 C ATOM 2127 CG GLU A 143 0.412 -13.192 -10.903 1.00 52.10 C ATOM 2128 CD GLU A 143 0.199 -11.714 -11.066 1.00 42.02 C ATOM 2129 OE1 GLU A 143 1.192 -10.945 -11.015 1.00 24.13 O ATOM 2130 OE2 GLU A 143 -0.968 -11.279 -11.217 1.00 23.14 O ATOM 2131 OXT GLU A 143 2.027 -16.768 -9.886 1.00 38.82 O ATOM 0 H GLU A 143 1.097 -14.986 -7.173 1.00 11.01 H new ATOM 0 HA GLU A 143 -0.201 -15.634 -9.755 1.00 30.35 H new ATOM 0 HB2 GLU A 143 -0.562 -13.245 -9.018 1.00 73.03 H new ATOM 0 HB3 GLU A 143 1.178 -13.060 -8.928 1.00 73.03 H new ATOM 0 HG2 GLU A 143 1.371 -13.474 -11.338 1.00 52.10 H new ATOM 0 HG3 GLU A 143 -0.359 -13.736 -11.449 1.00 52.10 H new