USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 675 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 57 THR OG1 : rot 175:sc= -1.85! USER MOD Set 1.2: A 59 THR OG1 : rot -85:sc= 0.214 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -150:sc= -0.272 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.292 X(o=-0.29,f=0.0017) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.018) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 51 MET CE :methyl 135:sc= -0.866 (180deg=-3.26!) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 160:sc= -0.779 USER MOD Single : A 68 ASN : amide:sc=-0.00239 K(o=-0.0024,f=-1.2) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00581 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 75 THR OG1 : rot 43:sc= 0.0265 USER MOD Single : A 77 ASN : amide:sc= -0.311 X(o=-0.31,f=0.1) USER MOD Single : A 78 SER OG : rot 90:sc= -2.2! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -0.657 X(o=-0.66,f=-0.18) USER MOD Single : A 105 HIS : no HD1:sc= 0.0136 K(o=0.014,f=-0.49) USER MOD Single : A 107 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 16.850 -25.053 -23.843 1.00 35.12 N ATOM 257 CA ALA A 17 17.224 -23.663 -24.072 1.00 60.21 C ATOM 258 C ALA A 17 16.033 -22.848 -24.563 1.00 51.44 C ATOM 259 O ALA A 17 15.231 -23.323 -25.368 1.00 22.55 O ATOM 260 CB ALA A 17 18.369 -23.583 -25.071 1.00 21.02 C ATOM 0 HA ALA A 17 17.554 -23.240 -23.123 1.00 60.21 H new ATOM 0 HB1 ALA A 17 18.638 -22.539 -25.233 1.00 21.02 H new ATOM 0 HB2 ALA A 17 19.231 -24.124 -24.681 1.00 21.02 H new ATOM 0 HB3 ALA A 17 18.059 -24.029 -26.016 1.00 21.02 H new ATOM 266 N PHE A 18 15.922 -21.617 -24.075 1.00 4.25 N ATOM 267 CA PHE A 18 14.827 -20.736 -24.462 1.00 42.45 C ATOM 268 C PHE A 18 15.306 -19.674 -25.449 1.00 22.43 C ATOM 269 O PHE A 18 16.501 -19.393 -25.544 1.00 43.44 O ATOM 270 CB PHE A 18 14.223 -20.064 -23.228 1.00 34.45 C ATOM 271 CG PHE A 18 13.770 -21.038 -22.177 1.00 72.13 C ATOM 272 CD1 PHE A 18 14.593 -21.359 -21.110 1.00 63.55 C ATOM 273 CD2 PHE A 18 12.521 -21.632 -22.257 1.00 73.54 C ATOM 274 CE1 PHE A 18 14.180 -22.255 -20.142 1.00 55.21 C ATOM 275 CE2 PHE A 18 12.101 -22.528 -21.292 1.00 24.11 C ATOM 276 CZ PHE A 18 12.932 -22.841 -20.234 1.00 2.43 C ATOM 0 H PHE A 18 16.578 -21.207 -23.410 1.00 4.25 H new ATOM 0 HA PHE A 18 14.062 -21.342 -24.948 1.00 42.45 H new ATOM 0 HB2 PHE A 18 14.961 -19.390 -22.793 1.00 34.45 H new ATOM 0 HB3 PHE A 18 13.375 -19.453 -23.536 1.00 34.45 H new ATOM 0 HD1 PHE A 18 15.569 -20.904 -21.034 1.00 63.55 H new ATOM 0 HD2 PHE A 18 11.868 -21.392 -23.083 1.00 73.54 H new ATOM 0 HE1 PHE A 18 14.832 -22.497 -19.315 1.00 55.21 H new ATOM 0 HE2 PHE A 18 11.124 -22.983 -21.365 1.00 24.11 H new ATOM 0 HZ PHE A 18 12.607 -23.543 -19.480 1.00 2.43 H new ATOM 286 N THR A 19 14.365 -19.088 -26.182 1.00 33.30 N ATOM 287 CA THR A 19 14.689 -18.061 -27.163 1.00 43.31 C ATOM 288 C THR A 19 13.537 -17.076 -27.330 1.00 23.32 C ATOM 289 O THR A 19 12.371 -17.470 -27.363 1.00 1.21 O ATOM 290 CB THR A 19 15.024 -18.678 -28.534 1.00 21.51 C ATOM 291 OG1 THR A 19 14.067 -19.692 -28.861 1.00 64.51 O ATOM 292 CG2 THR A 19 16.423 -19.276 -28.531 1.00 20.10 C ATOM 0 H THR A 19 13.371 -19.308 -26.114 1.00 33.30 H new ATOM 0 HA THR A 19 15.565 -17.532 -26.787 1.00 43.31 H new ATOM 0 HB THR A 19 14.986 -17.887 -29.283 1.00 21.51 H new ATOM 0 HG1 THR A 19 14.285 -20.078 -29.735 1.00 64.51 H new ATOM 0 HG21 THR A 19 16.637 -19.706 -29.510 1.00 20.10 H new ATOM 0 HG22 THR A 19 17.152 -18.496 -28.310 1.00 20.10 H new ATOM 0 HG23 THR A 19 16.484 -20.055 -27.771 1.00 20.10 H new ATOM 300 N PHE A 20 13.871 -15.794 -27.435 1.00 62.43 N ATOM 301 CA PHE A 20 12.864 -14.753 -27.600 1.00 33.04 C ATOM 302 C PHE A 20 12.214 -14.837 -28.978 1.00 20.53 C ATOM 303 O PHE A 20 12.880 -15.113 -29.976 1.00 25.21 O ATOM 304 CB PHE A 20 13.491 -13.371 -27.403 1.00 30.41 C ATOM 305 CG PHE A 20 13.822 -13.062 -25.971 1.00 12.41 C ATOM 306 CD1 PHE A 20 12.844 -13.125 -24.991 1.00 24.11 C ATOM 307 CD2 PHE A 20 15.110 -12.706 -25.605 1.00 21.41 C ATOM 308 CE1 PHE A 20 13.146 -12.841 -23.672 1.00 75.11 C ATOM 309 CE2 PHE A 20 15.417 -12.422 -24.288 1.00 2.32 C ATOM 310 CZ PHE A 20 14.434 -12.488 -23.320 1.00 55.14 C ATOM 0 H PHE A 20 14.831 -15.451 -27.409 1.00 62.43 H new ATOM 0 HA PHE A 20 12.093 -14.906 -26.845 1.00 33.04 H new ATOM 0 HB2 PHE A 20 14.400 -13.305 -28.000 1.00 30.41 H new ATOM 0 HB3 PHE A 20 12.806 -12.613 -27.781 1.00 30.41 H new ATOM 0 HD1 PHE A 20 11.835 -13.399 -25.261 1.00 24.11 H new ATOM 0 HD2 PHE A 20 15.883 -12.650 -26.357 1.00 21.41 H new ATOM 0 HE1 PHE A 20 12.375 -12.895 -22.917 1.00 75.11 H new ATOM 0 HE2 PHE A 20 16.426 -12.148 -24.016 1.00 2.32 H new ATOM 0 HZ PHE A 20 14.672 -12.264 -22.291 1.00 55.14 H new ATOM 320 N THR A 21 10.907 -14.599 -29.025 1.00 10.41 N ATOM 321 CA THR A 21 10.166 -14.649 -30.279 1.00 34.14 C ATOM 322 C THR A 21 9.522 -13.303 -30.591 1.00 60.25 C ATOM 323 O THR A 21 9.587 -12.820 -31.722 1.00 53.10 O ATOM 324 CB THR A 21 9.071 -15.732 -30.241 1.00 20.33 C ATOM 325 OG1 THR A 21 8.135 -15.447 -29.195 1.00 41.43 O ATOM 326 CG2 THR A 21 9.680 -17.109 -30.021 1.00 75.12 C ATOM 0 H THR A 21 10.340 -14.370 -28.209 1.00 10.41 H new ATOM 0 HA THR A 21 10.884 -14.895 -31.061 1.00 34.14 H new ATOM 0 HB THR A 21 8.555 -15.729 -31.201 1.00 20.33 H new ATOM 0 HG1 THR A 21 7.760 -16.286 -28.854 1.00 41.43 H new ATOM 0 HG21 THR A 21 8.888 -17.858 -29.998 1.00 75.12 H new ATOM 0 HG22 THR A 21 10.370 -17.336 -30.834 1.00 75.12 H new ATOM 0 HG23 THR A 21 10.219 -17.121 -29.074 1.00 75.12 H new ATOM 334 N LYS A 22 8.901 -12.701 -29.583 1.00 2.21 N ATOM 335 CA LYS A 22 8.249 -11.407 -29.748 1.00 60.33 C ATOM 336 C LYS A 22 9.015 -10.314 -29.010 1.00 54.33 C ATOM 337 O LYS A 22 8.982 -10.242 -27.781 1.00 50.24 O ATOM 338 CB LYS A 22 6.808 -11.470 -29.236 1.00 62.24 C ATOM 339 CG LYS A 22 6.092 -10.131 -29.269 1.00 21.13 C ATOM 340 CD LYS A 22 4.583 -10.304 -29.221 1.00 63.31 C ATOM 341 CE LYS A 22 3.999 -10.487 -30.613 1.00 60.05 C ATOM 342 NZ LYS A 22 3.850 -9.189 -31.327 1.00 53.42 N ATOM 0 H LYS A 22 8.835 -13.089 -28.642 1.00 2.21 H new ATOM 0 HA LYS A 22 8.240 -11.165 -30.811 1.00 60.33 H new ATOM 0 HB2 LYS A 22 6.249 -12.187 -29.837 1.00 62.24 H new ATOM 0 HB3 LYS A 22 6.811 -11.846 -28.213 1.00 62.24 H new ATOM 0 HG2 LYS A 22 6.416 -9.523 -28.424 1.00 21.13 H new ATOM 0 HG3 LYS A 22 6.369 -9.592 -30.175 1.00 21.13 H new ATOM 0 HD2 LYS A 22 4.334 -11.168 -28.604 1.00 63.31 H new ATOM 0 HD3 LYS A 22 4.131 -9.433 -28.747 1.00 63.31 H new ATOM 0 HE2 LYS A 22 4.643 -11.149 -31.193 1.00 60.05 H new ATOM 0 HE3 LYS A 22 3.027 -10.974 -30.538 1.00 60.05 H new ATOM 0 HZ1 LYS A 22 3.449 -9.357 -32.272 1.00 53.42 H new ATOM 0 HZ2 LYS A 22 3.216 -8.567 -30.787 1.00 53.42 H new ATOM 0 HZ3 LYS A 22 4.781 -8.736 -31.422 1.00 53.42 H new ATOM 356 N ILE A 23 9.701 -9.464 -29.767 1.00 72.33 N ATOM 357 CA ILE A 23 10.472 -8.373 -29.184 1.00 73.32 C ATOM 358 C ILE A 23 9.596 -7.493 -28.299 1.00 53.35 C ATOM 359 O ILE A 23 8.493 -7.094 -28.675 1.00 43.23 O ATOM 360 CB ILE A 23 11.124 -7.500 -30.273 1.00 20.45 C ATOM 361 CG1 ILE A 23 11.999 -8.359 -31.189 1.00 11.52 C ATOM 362 CG2 ILE A 23 11.945 -6.388 -29.638 1.00 14.42 C ATOM 363 CD1 ILE A 23 12.582 -7.594 -32.357 1.00 22.34 C ATOM 0 H ILE A 23 9.738 -9.510 -30.785 1.00 72.33 H new ATOM 0 HA ILE A 23 11.255 -8.828 -28.578 1.00 73.32 H new ATOM 0 HB ILE A 23 10.337 -7.046 -30.875 1.00 20.45 H new ATOM 0 HG12 ILE A 23 12.812 -8.788 -30.604 1.00 11.52 H new ATOM 0 HG13 ILE A 23 11.406 -9.191 -31.569 1.00 11.52 H new ATOM 0 HG21 ILE A 23 12.400 -5.780 -30.420 1.00 14.42 H new ATOM 0 HG22 ILE A 23 11.297 -5.764 -29.023 1.00 14.42 H new ATOM 0 HG23 ILE A 23 12.727 -6.823 -29.016 1.00 14.42 H new ATOM 0 HD11 ILE A 23 13.191 -8.265 -32.964 1.00 22.34 H new ATOM 0 HD12 ILE A 23 11.774 -7.187 -32.965 1.00 22.34 H new ATOM 0 HD13 ILE A 23 13.202 -6.778 -31.985 1.00 22.34 H new ATOM 375 N PRO A 24 10.097 -7.180 -27.095 1.00 53.43 N ATOM 376 CA PRO A 24 9.377 -6.341 -26.132 1.00 71.11 C ATOM 377 C PRO A 24 9.288 -4.887 -26.582 1.00 42.11 C ATOM 378 O PRO A 24 10.252 -4.330 -27.107 1.00 11.23 O ATOM 379 CB PRO A 24 10.221 -6.457 -24.861 1.00 2.24 C ATOM 380 CG PRO A 24 11.591 -6.786 -25.344 1.00 44.43 C ATOM 381 CD PRO A 24 11.405 -7.619 -26.582 1.00 32.54 C ATOM 0 HA PRO A 24 8.343 -6.662 -26.005 1.00 71.11 H new ATOM 0 HB2 PRO A 24 10.214 -5.526 -24.295 1.00 2.24 H new ATOM 0 HB3 PRO A 24 9.837 -7.234 -24.200 1.00 2.24 H new ATOM 0 HG2 PRO A 24 12.155 -5.880 -25.565 1.00 44.43 H new ATOM 0 HG3 PRO A 24 12.151 -7.333 -24.586 1.00 44.43 H new ATOM 0 HD2 PRO A 24 12.200 -7.445 -27.307 1.00 32.54 H new ATOM 0 HD3 PRO A 24 11.410 -8.685 -26.354 1.00 32.54 H new ATOM 389 N ALA A 25 8.126 -4.277 -26.373 1.00 32.40 N ATOM 390 CA ALA A 25 7.913 -2.887 -26.754 1.00 51.24 C ATOM 391 C ALA A 25 6.709 -2.297 -26.029 1.00 15.32 C ATOM 392 O ALA A 25 5.591 -2.797 -26.155 1.00 2.54 O ATOM 393 CB ALA A 25 7.731 -2.775 -28.261 1.00 12.31 C ATOM 0 H ALA A 25 7.317 -4.724 -25.941 1.00 32.40 H new ATOM 0 HA ALA A 25 8.795 -2.317 -26.462 1.00 51.24 H new ATOM 0 HB1 ALA A 25 7.573 -1.731 -28.532 1.00 12.31 H new ATOM 0 HB2 ALA A 25 8.623 -3.149 -28.764 1.00 12.31 H new ATOM 0 HB3 ALA A 25 6.867 -3.364 -28.568 1.00 12.31 H new ATOM 399 N GLU A 26 6.945 -1.232 -25.269 1.00 55.41 N ATOM 400 CA GLU A 26 5.878 -0.575 -24.522 1.00 71.51 C ATOM 401 C GLU A 26 4.902 0.122 -25.466 1.00 21.23 C ATOM 402 O GLU A 26 5.285 0.591 -26.538 1.00 52.21 O ATOM 403 CB GLU A 26 6.464 0.438 -23.537 1.00 32.02 C ATOM 404 CG GLU A 26 5.644 0.596 -22.267 1.00 44.20 C ATOM 405 CD GLU A 26 5.998 1.854 -21.498 1.00 14.42 C ATOM 406 OE1 GLU A 26 5.621 2.954 -21.955 1.00 34.20 O ATOM 407 OE2 GLU A 26 6.651 1.740 -20.440 1.00 35.03 O ATOM 0 H GLU A 26 7.865 -0.806 -25.154 1.00 55.41 H new ATOM 0 HA GLU A 26 5.335 -1.339 -23.966 1.00 71.51 H new ATOM 0 HB2 GLU A 26 7.475 0.130 -23.271 1.00 32.02 H new ATOM 0 HB3 GLU A 26 6.545 1.407 -24.030 1.00 32.02 H new ATOM 0 HG2 GLU A 26 4.585 0.617 -22.523 1.00 44.20 H new ATOM 0 HG3 GLU A 26 5.800 -0.273 -21.627 1.00 44.20 H new ATOM 414 N THR A 27 3.638 0.185 -25.059 1.00 51.42 N ATOM 415 CA THR A 27 2.606 0.823 -25.868 1.00 22.43 C ATOM 416 C THR A 27 1.981 2.002 -25.131 1.00 72.34 C ATOM 417 O THR A 27 2.451 2.401 -24.065 1.00 53.01 O ATOM 418 CB THR A 27 1.497 -0.175 -26.251 1.00 62.15 C ATOM 419 OG1 THR A 27 0.709 -0.499 -25.100 1.00 44.53 O ATOM 420 CG2 THR A 27 2.092 -1.446 -26.838 1.00 62.24 C ATOM 0 H THR A 27 3.304 -0.198 -24.174 1.00 51.42 H new ATOM 0 HA THR A 27 3.091 1.182 -26.776 1.00 22.43 H new ATOM 0 HB THR A 27 0.863 0.293 -27.004 1.00 62.15 H new ATOM 0 HG1 THR A 27 0.005 -1.133 -25.353 1.00 44.53 H new ATOM 0 HG21 THR A 27 1.290 -2.136 -27.101 1.00 62.24 H new ATOM 0 HG22 THR A 27 2.666 -1.200 -27.731 1.00 62.24 H new ATOM 0 HG23 THR A 27 2.747 -1.914 -26.103 1.00 62.24 H new ATOM 428 N LEU A 28 0.918 2.555 -25.705 1.00 44.35 N ATOM 429 CA LEU A 28 0.227 3.689 -25.102 1.00 54.22 C ATOM 430 C LEU A 28 -0.176 3.379 -23.664 1.00 4.21 C ATOM 431 O LEU A 28 -0.181 4.262 -22.806 1.00 1.25 O ATOM 432 CB LEU A 28 -1.012 4.052 -25.923 1.00 71.34 C ATOM 433 CG LEU A 28 -0.759 4.457 -27.376 1.00 14.31 C ATOM 434 CD1 LEU A 28 -2.065 4.829 -28.061 1.00 51.21 C ATOM 435 CD2 LEU A 28 0.228 5.613 -27.443 1.00 3.02 C ATOM 0 H LEU A 28 0.516 2.237 -26.587 1.00 44.35 H new ATOM 0 HA LEU A 28 0.912 4.537 -25.094 1.00 54.22 H new ATOM 0 HB2 LEU A 28 -1.690 3.198 -25.917 1.00 71.34 H new ATOM 0 HB3 LEU A 28 -1.528 4.872 -25.423 1.00 71.34 H new ATOM 0 HG LEU A 28 -0.327 3.605 -27.901 1.00 14.31 H new ATOM 0 HD11 LEU A 28 -1.866 5.114 -29.094 1.00 51.21 H new ATOM 0 HD12 LEU A 28 -2.741 3.974 -28.045 1.00 51.21 H new ATOM 0 HD13 LEU A 28 -2.526 5.666 -27.536 1.00 51.21 H new ATOM 0 HD21 LEU A 28 0.396 5.888 -28.484 1.00 3.02 H new ATOM 0 HD22 LEU A 28 -0.177 6.469 -26.903 1.00 3.02 H new ATOM 0 HD23 LEU A 28 1.173 5.312 -26.990 1.00 3.02 H new ATOM 447 N HIS A 29 -0.510 2.119 -23.407 1.00 31.41 N ATOM 448 CA HIS A 29 -0.910 1.691 -22.071 1.00 73.01 C ATOM 449 C HIS A 29 0.278 1.716 -21.114 1.00 34.10 C ATOM 450 O HIS A 29 0.114 1.919 -19.912 1.00 25.44 O ATOM 451 CB HIS A 29 -1.511 0.286 -22.121 1.00 24.40 C ATOM 452 CG HIS A 29 -2.322 -0.063 -20.911 1.00 43.40 C ATOM 453 ND1 HIS A 29 -3.673 -0.331 -20.963 1.00 32.33 N ATOM 454 CD2 HIS A 29 -1.964 -0.187 -19.611 1.00 73.14 C ATOM 455 CE1 HIS A 29 -4.112 -0.604 -19.747 1.00 74.21 C ATOM 456 NE2 HIS A 29 -3.095 -0.524 -18.909 1.00 1.03 N ATOM 0 H HIS A 29 -0.512 1.376 -24.106 1.00 31.41 H new ATOM 0 HA HIS A 29 -1.664 2.387 -21.704 1.00 73.01 H new ATOM 0 HB2 HIS A 29 -2.140 0.200 -23.007 1.00 24.40 H new ATOM 0 HB3 HIS A 29 -0.706 -0.441 -22.230 1.00 24.40 H new ATOM 0 HD2 HIS A 29 -0.974 -0.047 -19.203 1.00 73.14 H new ATOM 0 HE1 HIS A 29 -5.130 -0.851 -19.483 1.00 74.21 H new ATOM 0 HE2 HIS A 29 -3.142 -0.686 -17.903 1.00 1.03 H new ATOM 464 N GLY A 30 1.473 1.507 -21.657 1.00 4.53 N ATOM 465 CA GLY A 30 2.671 1.510 -20.837 1.00 32.43 C ATOM 466 C GLY A 30 3.024 0.128 -20.323 1.00 63.12 C ATOM 467 O GLY A 30 3.552 -0.017 -19.220 1.00 35.32 O ATOM 0 H GLY A 30 1.633 1.336 -22.650 1.00 4.53 H new ATOM 0 HA2 GLY A 30 3.505 1.902 -21.419 1.00 32.43 H new ATOM 0 HA3 GLY A 30 2.528 2.183 -19.992 1.00 32.43 H new ATOM 471 N THR A 31 2.732 -0.892 -21.124 1.00 63.23 N ATOM 472 CA THR A 31 3.019 -2.269 -20.743 1.00 72.44 C ATOM 473 C THR A 31 3.817 -2.985 -21.827 1.00 51.04 C ATOM 474 O THR A 31 3.624 -2.740 -23.018 1.00 42.23 O ATOM 475 CB THR A 31 1.724 -3.058 -20.470 1.00 50.23 C ATOM 476 OG1 THR A 31 0.887 -3.043 -21.632 1.00 51.40 O ATOM 477 CG2 THR A 31 0.970 -2.468 -19.288 1.00 42.52 C ATOM 0 H THR A 31 2.297 -0.790 -22.041 1.00 63.23 H new ATOM 0 HA THR A 31 3.610 -2.227 -19.828 1.00 72.44 H new ATOM 0 HB THR A 31 1.995 -4.086 -20.231 1.00 50.23 H new ATOM 0 HG1 THR A 31 0.067 -3.548 -21.451 1.00 51.40 H new ATOM 0 HG21 THR A 31 0.059 -3.041 -19.114 1.00 42.52 H new ATOM 0 HG22 THR A 31 1.599 -2.508 -18.399 1.00 42.52 H new ATOM 0 HG23 THR A 31 0.710 -1.431 -19.503 1.00 42.52 H new ATOM 485 N VAL A 32 4.714 -3.872 -21.407 1.00 52.35 N ATOM 486 CA VAL A 32 5.538 -4.627 -22.343 1.00 45.33 C ATOM 487 C VAL A 32 5.296 -6.125 -22.204 1.00 23.43 C ATOM 488 O VAL A 32 5.204 -6.651 -21.094 1.00 3.44 O ATOM 489 CB VAL A 32 7.036 -4.338 -22.131 1.00 4.23 C ATOM 490 CG1 VAL A 32 7.509 -4.914 -20.805 1.00 33.52 C ATOM 491 CG2 VAL A 32 7.855 -4.895 -23.286 1.00 1.34 C ATOM 0 H VAL A 32 4.888 -4.085 -20.425 1.00 52.35 H new ATOM 0 HA VAL A 32 5.252 -4.308 -23.345 1.00 45.33 H new ATOM 0 HB VAL A 32 7.179 -3.258 -22.102 1.00 4.23 H new ATOM 0 HG11 VAL A 32 8.570 -4.700 -20.673 1.00 33.52 H new ATOM 0 HG12 VAL A 32 6.943 -4.463 -19.990 1.00 33.52 H new ATOM 0 HG13 VAL A 32 7.353 -5.993 -20.801 1.00 33.52 H new ATOM 0 HG21 VAL A 32 8.911 -4.682 -23.119 1.00 1.34 H new ATOM 0 HG22 VAL A 32 7.708 -5.973 -23.349 1.00 1.34 H new ATOM 0 HG23 VAL A 32 7.533 -4.430 -24.218 1.00 1.34 H new ATOM 501 N THR A 33 5.194 -6.811 -23.338 1.00 62.02 N ATOM 502 CA THR A 33 4.963 -8.250 -23.343 1.00 42.04 C ATOM 503 C THR A 33 6.226 -9.008 -23.735 1.00 23.20 C ATOM 504 O THR A 33 7.020 -8.534 -24.548 1.00 23.23 O ATOM 505 CB THR A 33 3.827 -8.633 -24.311 1.00 24.22 C ATOM 506 OG1 THR A 33 4.280 -8.526 -25.665 1.00 43.30 O ATOM 507 CG2 THR A 33 2.615 -7.738 -24.104 1.00 20.04 C ATOM 0 H THR A 33 5.268 -6.393 -24.265 1.00 62.02 H new ATOM 0 HA THR A 33 4.676 -8.528 -22.329 1.00 42.04 H new ATOM 0 HB THR A 33 3.537 -9.664 -24.106 1.00 24.22 H new ATOM 0 HG1 THR A 33 3.553 -8.773 -26.274 1.00 43.30 H new ATOM 0 HG21 THR A 33 1.826 -8.027 -24.798 1.00 20.04 H new ATOM 0 HG22 THR A 33 2.255 -7.844 -23.081 1.00 20.04 H new ATOM 0 HG23 THR A 33 2.894 -6.700 -24.284 1.00 20.04 H new ATOM 515 N VAL A 34 6.407 -10.189 -23.152 1.00 73.33 N ATOM 516 CA VAL A 34 7.574 -11.014 -23.441 1.00 72.12 C ATOM 517 C VAL A 34 7.165 -12.436 -23.808 1.00 35.23 C ATOM 518 O VAL A 34 6.427 -13.089 -23.070 1.00 61.34 O ATOM 519 CB VAL A 34 8.538 -11.062 -22.241 1.00 61.22 C ATOM 520 CG1 VAL A 34 7.832 -11.608 -21.010 1.00 34.22 C ATOM 521 CG2 VAL A 34 9.764 -11.898 -22.577 1.00 3.42 C ATOM 0 H VAL A 34 5.760 -10.596 -22.477 1.00 73.33 H new ATOM 0 HA VAL A 34 8.083 -10.556 -24.289 1.00 72.12 H new ATOM 0 HB VAL A 34 8.867 -10.047 -22.021 1.00 61.22 H new ATOM 0 HG11 VAL A 34 8.529 -11.634 -20.172 1.00 34.22 H new ATOM 0 HG12 VAL A 34 6.988 -10.965 -20.760 1.00 34.22 H new ATOM 0 HG13 VAL A 34 7.472 -12.616 -21.214 1.00 34.22 H new ATOM 0 HG21 VAL A 34 10.435 -11.922 -21.718 1.00 3.42 H new ATOM 0 HG22 VAL A 34 9.455 -12.914 -22.824 1.00 3.42 H new ATOM 0 HG23 VAL A 34 10.282 -11.459 -23.430 1.00 3.42 H new ATOM 531 N GLU A 35 7.649 -12.909 -24.952 1.00 21.54 N ATOM 532 CA GLU A 35 7.333 -14.255 -25.416 1.00 30.24 C ATOM 533 C GLU A 35 8.606 -15.029 -25.748 1.00 54.25 C ATOM 534 O GLU A 35 9.542 -14.484 -26.333 1.00 1.32 O ATOM 535 CB GLU A 35 6.424 -14.194 -26.645 1.00 32.42 C ATOM 536 CG GLU A 35 5.540 -15.419 -26.809 1.00 71.43 C ATOM 537 CD GLU A 35 4.214 -15.098 -27.471 1.00 42.53 C ATOM 538 OE1 GLU A 35 3.312 -15.961 -27.442 1.00 63.02 O ATOM 539 OE2 GLU A 35 4.079 -13.983 -28.018 1.00 75.33 O ATOM 0 H GLU A 35 8.261 -12.381 -25.574 1.00 21.54 H new ATOM 0 HA GLU A 35 6.811 -14.776 -24.613 1.00 30.24 H new ATOM 0 HB2 GLU A 35 5.793 -13.308 -26.576 1.00 32.42 H new ATOM 0 HB3 GLU A 35 7.040 -14.079 -27.537 1.00 32.42 H new ATOM 0 HG2 GLU A 35 6.067 -16.166 -27.403 1.00 71.43 H new ATOM 0 HG3 GLU A 35 5.355 -15.863 -25.831 1.00 71.43 H new ATOM 546 N VAL A 36 8.632 -16.303 -25.372 1.00 20.35 N ATOM 547 CA VAL A 36 9.789 -17.153 -25.629 1.00 55.13 C ATOM 548 C VAL A 36 9.360 -18.526 -26.136 1.00 1.44 C ATOM 549 O VAL A 36 8.194 -18.902 -26.025 1.00 13.13 O ATOM 550 CB VAL A 36 10.648 -17.330 -24.363 1.00 60.15 C ATOM 551 CG1 VAL A 36 11.399 -16.046 -24.044 1.00 33.45 C ATOM 552 CG2 VAL A 36 9.783 -17.758 -23.188 1.00 74.40 C ATOM 0 H VAL A 36 7.865 -16.770 -24.888 1.00 20.35 H new ATOM 0 HA VAL A 36 10.384 -16.656 -26.395 1.00 55.13 H new ATOM 0 HB VAL A 36 11.381 -18.115 -24.549 1.00 60.15 H new ATOM 0 HG11 VAL A 36 12.001 -16.190 -23.146 1.00 33.45 H new ATOM 0 HG12 VAL A 36 12.050 -15.788 -24.880 1.00 33.45 H new ATOM 0 HG13 VAL A 36 10.686 -15.239 -23.877 1.00 33.45 H new ATOM 0 HG21 VAL A 36 10.406 -17.878 -22.302 1.00 74.40 H new ATOM 0 HG22 VAL A 36 9.025 -16.998 -22.998 1.00 74.40 H new ATOM 0 HG23 VAL A 36 9.296 -18.705 -23.420 1.00 74.40 H new ATOM 562 N GLN A 37 10.312 -19.269 -26.691 1.00 53.21 N ATOM 563 CA GLN A 37 10.032 -20.600 -27.216 1.00 31.24 C ATOM 564 C GLN A 37 10.437 -21.676 -26.214 1.00 25.31 C ATOM 565 O GLN A 37 11.607 -21.785 -25.844 1.00 32.11 O ATOM 566 CB GLN A 37 10.768 -20.815 -28.539 1.00 62.11 C ATOM 567 CG GLN A 37 10.045 -21.753 -29.492 1.00 63.31 C ATOM 568 CD GLN A 37 10.428 -21.522 -30.941 1.00 14.13 C ATOM 569 OE1 GLN A 37 10.849 -22.445 -31.639 1.00 1.34 O ATOM 570 NE2 GLN A 37 10.282 -20.285 -31.401 1.00 70.04 N ATOM 0 H GLN A 37 11.283 -18.972 -26.789 1.00 53.21 H new ATOM 0 HA GLN A 37 8.959 -20.676 -27.390 1.00 31.24 H new ATOM 0 HB2 GLN A 37 10.908 -19.851 -29.028 1.00 62.11 H new ATOM 0 HB3 GLN A 37 11.761 -21.215 -28.332 1.00 62.11 H new ATOM 0 HG2 GLN A 37 10.270 -22.785 -29.221 1.00 63.31 H new ATOM 0 HG3 GLN A 37 8.969 -21.621 -29.379 1.00 63.31 H new ATOM 0 HE21 GLN A 37 9.929 -19.551 -30.787 1.00 70.04 H new ATOM 0 HE22 GLN A 37 10.522 -20.069 -32.368 1.00 70.04 H new ATOM 579 N TYR A 38 9.465 -22.469 -25.778 1.00 54.14 N ATOM 580 CA TYR A 38 9.720 -23.535 -24.817 1.00 71.01 C ATOM 581 C TYR A 38 10.050 -24.843 -25.529 1.00 65.13 C ATOM 582 O TYR A 38 9.324 -25.277 -26.423 1.00 43.10 O ATOM 583 CB TYR A 38 8.507 -23.730 -23.906 1.00 11.12 C ATOM 584 CG TYR A 38 8.859 -24.254 -22.532 1.00 65.32 C ATOM 585 CD1 TYR A 38 9.450 -25.502 -22.374 1.00 74.31 C ATOM 586 CD2 TYR A 38 8.602 -23.503 -21.393 1.00 12.54 C ATOM 587 CE1 TYR A 38 9.773 -25.986 -21.121 1.00 51.00 C ATOM 588 CE2 TYR A 38 8.923 -23.977 -20.136 1.00 20.52 C ATOM 589 CZ TYR A 38 9.508 -25.220 -20.005 1.00 42.32 C ATOM 590 OH TYR A 38 9.828 -25.697 -18.755 1.00 4.12 O ATOM 0 H TYR A 38 8.492 -22.394 -26.075 1.00 54.14 H new ATOM 0 HA TYR A 38 10.579 -23.245 -24.211 1.00 71.01 H new ATOM 0 HB2 TYR A 38 7.986 -22.778 -23.800 1.00 11.12 H new ATOM 0 HB3 TYR A 38 7.813 -24.422 -24.383 1.00 11.12 H new ATOM 0 HD1 TYR A 38 9.660 -26.104 -23.246 1.00 74.31 H new ATOM 0 HD2 TYR A 38 8.143 -22.530 -21.492 1.00 12.54 H new ATOM 0 HE1 TYR A 38 10.230 -26.959 -21.016 1.00 51.00 H new ATOM 0 HE2 TYR A 38 8.717 -23.378 -19.261 1.00 20.52 H new ATOM 0 HH TYR A 38 9.577 -25.034 -18.078 1.00 4.12 H new ATOM 600 N ALA A 39 11.152 -25.467 -25.125 1.00 62.04 N ATOM 601 CA ALA A 39 11.578 -26.727 -25.721 1.00 64.20 C ATOM 602 C ALA A 39 12.064 -27.702 -24.654 1.00 23.30 C ATOM 603 O ALA A 39 12.219 -27.337 -23.489 1.00 55.14 O ATOM 604 CB ALA A 39 12.671 -26.481 -26.751 1.00 20.41 C ATOM 0 H ALA A 39 11.766 -25.120 -24.388 1.00 62.04 H new ATOM 0 HA ALA A 39 10.718 -27.174 -26.220 1.00 64.20 H new ATOM 0 HB1 ALA A 39 12.980 -27.431 -27.188 1.00 20.41 H new ATOM 0 HB2 ALA A 39 12.291 -25.827 -27.536 1.00 20.41 H new ATOM 0 HB3 ALA A 39 13.527 -26.009 -26.268 1.00 20.41 H new ATOM 675 N LYS A 46 5.975 -24.137 -15.876 1.00 43.14 N ATOM 676 CA LYS A 46 5.908 -22.681 -15.897 1.00 0.43 C ATOM 677 C LYS A 46 7.259 -22.079 -16.270 1.00 1.44 C ATOM 678 O LYS A 46 8.241 -22.236 -15.544 1.00 44.34 O ATOM 679 CB LYS A 46 5.461 -22.151 -14.532 1.00 60.12 C ATOM 680 CG LYS A 46 4.880 -20.749 -14.584 1.00 43.45 C ATOM 681 CD LYS A 46 5.951 -19.693 -14.365 1.00 61.12 C ATOM 682 CE LYS A 46 6.228 -19.479 -12.885 1.00 14.30 C ATOM 683 NZ LYS A 46 7.064 -18.270 -12.646 1.00 62.13 N ATOM 0 HA LYS A 46 5.178 -22.387 -16.651 1.00 0.43 H new ATOM 0 HB2 LYS A 46 4.716 -22.829 -14.115 1.00 60.12 H new ATOM 0 HB3 LYS A 46 6.313 -22.157 -13.853 1.00 60.12 H new ATOM 0 HG2 LYS A 46 4.401 -20.588 -15.550 1.00 43.45 H new ATOM 0 HG3 LYS A 46 4.106 -20.647 -13.824 1.00 43.45 H new ATOM 0 HD2 LYS A 46 6.870 -19.995 -14.868 1.00 61.12 H new ATOM 0 HD3 LYS A 46 5.634 -18.753 -14.817 1.00 61.12 H new ATOM 0 HE2 LYS A 46 5.284 -19.379 -12.350 1.00 14.30 H new ATOM 0 HE3 LYS A 46 6.733 -20.356 -12.480 1.00 14.30 H new ATOM 0 HZ1 LYS A 46 7.230 -18.159 -11.625 1.00 62.13 H new ATOM 0 HZ2 LYS A 46 7.975 -18.376 -13.136 1.00 62.13 H new ATOM 0 HZ3 LYS A 46 6.571 -17.430 -13.010 1.00 62.13 H new ATOM 697 N VAL A 47 7.301 -21.388 -17.404 1.00 41.44 N ATOM 698 CA VAL A 47 8.531 -20.760 -17.872 1.00 0.41 C ATOM 699 C VAL A 47 8.910 -19.573 -16.994 1.00 3.44 C ATOM 700 O VAL A 47 8.083 -18.722 -16.665 1.00 72.21 O ATOM 701 CB VAL A 47 8.399 -20.283 -19.331 1.00 34.24 C ATOM 702 CG1 VAL A 47 7.240 -19.308 -19.471 1.00 0.42 C ATOM 703 CG2 VAL A 47 9.699 -19.651 -19.804 1.00 73.34 C ATOM 0 H VAL A 47 6.497 -21.249 -18.016 1.00 41.44 H new ATOM 0 HA VAL A 47 9.314 -21.516 -17.814 1.00 0.41 H new ATOM 0 HB VAL A 47 8.192 -21.148 -19.961 1.00 34.24 H new ATOM 0 HG11 VAL A 47 7.162 -18.982 -20.508 1.00 0.42 H new ATOM 0 HG12 VAL A 47 6.313 -19.799 -19.175 1.00 0.42 H new ATOM 0 HG13 VAL A 47 7.413 -18.443 -18.831 1.00 0.42 H new ATOM 0 HG21 VAL A 47 9.588 -19.320 -20.836 1.00 73.34 H new ATOM 0 HG22 VAL A 47 9.939 -18.796 -19.172 1.00 73.34 H new ATOM 0 HG23 VAL A 47 10.503 -20.384 -19.743 1.00 73.34 H new ATOM 713 N PRO A 48 10.192 -19.511 -16.603 1.00 41.03 N ATOM 714 CA PRO A 48 10.711 -18.431 -15.759 1.00 23.34 C ATOM 715 C PRO A 48 10.769 -17.097 -16.494 1.00 10.30 C ATOM 716 O PRO A 48 11.046 -17.049 -17.692 1.00 55.11 O ATOM 717 CB PRO A 48 12.122 -18.907 -15.402 1.00 40.14 C ATOM 718 CG PRO A 48 12.505 -19.822 -16.514 1.00 2.12 C ATOM 719 CD PRO A 48 11.233 -20.490 -16.957 1.00 63.31 C ATOM 0 HA PRO A 48 10.075 -18.250 -14.892 1.00 23.34 H new ATOM 0 HB2 PRO A 48 12.814 -18.069 -15.322 1.00 40.14 H new ATOM 0 HB3 PRO A 48 12.135 -19.423 -14.442 1.00 40.14 H new ATOM 0 HG2 PRO A 48 12.962 -19.269 -17.335 1.00 2.12 H new ATOM 0 HG3 PRO A 48 13.236 -20.558 -16.180 1.00 2.12 H new ATOM 0 HD2 PRO A 48 11.241 -20.699 -18.027 1.00 63.31 H new ATOM 0 HD3 PRO A 48 11.080 -21.441 -16.447 1.00 63.31 H new ATOM 727 N ALA A 49 10.506 -16.015 -15.768 1.00 45.33 N ATOM 728 CA ALA A 49 10.532 -14.679 -16.352 1.00 34.15 C ATOM 729 C ALA A 49 10.757 -13.617 -15.281 1.00 52.31 C ATOM 730 O ALA A 49 10.021 -13.549 -14.297 1.00 30.40 O ATOM 731 CB ALA A 49 9.237 -14.407 -17.104 1.00 21.24 C ATOM 0 H ALA A 49 10.273 -16.037 -14.775 1.00 45.33 H new ATOM 0 HA ALA A 49 11.364 -14.632 -17.054 1.00 34.15 H new ATOM 0 HB1 ALA A 49 9.270 -13.406 -17.535 1.00 21.24 H new ATOM 0 HB2 ALA A 49 9.118 -15.141 -17.901 1.00 21.24 H new ATOM 0 HB3 ALA A 49 8.395 -14.478 -16.416 1.00 21.24 H new ATOM 737 N GLN A 50 11.778 -12.790 -15.480 1.00 42.11 N ATOM 738 CA GLN A 50 12.100 -11.731 -14.530 1.00 72.34 C ATOM 739 C GLN A 50 13.167 -10.800 -15.095 1.00 3.44 C ATOM 740 O GLN A 50 14.039 -11.225 -15.852 1.00 73.31 O ATOM 741 CB GLN A 50 12.578 -12.332 -13.207 1.00 53.03 C ATOM 742 CG GLN A 50 12.510 -11.362 -12.039 1.00 14.11 C ATOM 743 CD GLN A 50 13.426 -11.757 -10.898 1.00 20.41 C ATOM 744 OE1 GLN A 50 13.073 -12.592 -10.064 1.00 4.33 O ATOM 745 NE2 GLN A 50 14.611 -11.159 -10.855 1.00 72.22 N ATOM 0 H GLN A 50 12.396 -12.833 -16.290 1.00 42.11 H new ATOM 0 HA GLN A 50 11.195 -11.150 -14.351 1.00 72.34 H new ATOM 0 HB2 GLN A 50 11.973 -13.209 -12.976 1.00 53.03 H new ATOM 0 HB3 GLN A 50 13.606 -12.676 -13.324 1.00 53.03 H new ATOM 0 HG2 GLN A 50 12.777 -10.363 -12.385 1.00 14.11 H new ATOM 0 HG3 GLN A 50 11.484 -11.309 -11.675 1.00 14.11 H new ATOM 0 HE21 GLN A 50 14.862 -10.473 -11.567 1.00 72.22 H new ATOM 0 HE22 GLN A 50 15.270 -11.386 -10.110 1.00 72.22 H new ATOM 754 N MET A 51 13.092 -9.527 -14.720 1.00 44.44 N ATOM 755 CA MET A 51 14.054 -8.535 -15.189 1.00 13.04 C ATOM 756 C MET A 51 14.696 -7.804 -14.014 1.00 44.12 C ATOM 757 O MET A 51 14.164 -7.804 -12.905 1.00 11.32 O ATOM 758 CB MET A 51 13.370 -7.530 -16.118 1.00 4.12 C ATOM 759 CG MET A 51 12.183 -6.824 -15.482 1.00 63.43 C ATOM 760 SD MET A 51 10.916 -6.377 -16.684 1.00 43.35 S ATOM 761 CE MET A 51 9.445 -6.996 -15.872 1.00 70.13 C ATOM 0 H MET A 51 12.376 -9.158 -14.094 1.00 44.44 H new ATOM 0 HA MET A 51 14.836 -9.056 -15.742 1.00 13.04 H new ATOM 0 HB2 MET A 51 14.100 -6.784 -16.433 1.00 4.12 H new ATOM 0 HB3 MET A 51 13.035 -8.048 -17.017 1.00 4.12 H new ATOM 0 HG2 MET A 51 11.745 -7.471 -14.722 1.00 63.43 H new ATOM 0 HG3 MET A 51 12.530 -5.924 -14.974 1.00 63.43 H new ATOM 0 HE1 MET A 51 8.654 -6.249 -15.933 1.00 70.13 H new ATOM 0 HE2 MET A 51 9.117 -7.913 -16.362 1.00 70.13 H new ATOM 0 HE3 MET A 51 9.667 -7.204 -14.825 1.00 70.13 H new ATOM 771 N ALA A 52 15.844 -7.183 -14.266 1.00 51.41 N ATOM 772 CA ALA A 52 16.558 -6.447 -13.230 1.00 31.02 C ATOM 773 C ALA A 52 17.538 -5.451 -13.840 1.00 22.00 C ATOM 774 O ALA A 52 17.739 -5.427 -15.054 1.00 41.23 O ATOM 775 CB ALA A 52 17.288 -7.411 -12.306 1.00 50.13 C ATOM 0 H ALA A 52 16.299 -7.175 -15.179 1.00 51.41 H new ATOM 0 HA ALA A 52 15.827 -5.886 -12.648 1.00 31.02 H new ATOM 0 HB1 ALA A 52 17.817 -6.848 -11.537 1.00 50.13 H new ATOM 0 HB2 ALA A 52 16.567 -8.080 -11.835 1.00 50.13 H new ATOM 0 HB3 ALA A 52 18.003 -7.997 -12.883 1.00 50.13 H new ATOM 781 N VAL A 53 18.146 -4.629 -12.990 1.00 20.51 N ATOM 782 CA VAL A 53 19.106 -3.631 -13.446 1.00 32.03 C ATOM 783 C VAL A 53 20.521 -3.987 -13.004 1.00 71.20 C ATOM 784 O VAL A 53 21.487 -3.748 -13.728 1.00 41.24 O ATOM 785 CB VAL A 53 18.752 -2.229 -12.915 1.00 71.02 C ATOM 786 CG1 VAL A 53 17.519 -1.686 -13.622 1.00 3.00 C ATOM 787 CG2 VAL A 53 18.539 -2.268 -11.409 1.00 45.54 C ATOM 0 H VAL A 53 17.991 -4.635 -11.982 1.00 20.51 H new ATOM 0 HA VAL A 53 19.060 -3.622 -14.535 1.00 32.03 H new ATOM 0 HB VAL A 53 19.586 -1.559 -13.124 1.00 71.02 H new ATOM 0 HG11 VAL A 53 17.284 -0.695 -13.234 1.00 3.00 H new ATOM 0 HG12 VAL A 53 17.713 -1.620 -14.693 1.00 3.00 H new ATOM 0 HG13 VAL A 53 16.675 -2.354 -13.447 1.00 3.00 H new ATOM 0 HG21 VAL A 53 18.290 -1.269 -11.051 1.00 45.54 H new ATOM 0 HG22 VAL A 53 17.723 -2.952 -11.175 1.00 45.54 H new ATOM 0 HG23 VAL A 53 19.451 -2.611 -10.921 1.00 45.54 H new ATOM 797 N ASP A 54 20.636 -4.561 -11.811 1.00 55.14 N ATOM 798 CA ASP A 54 21.933 -4.953 -11.273 1.00 71.32 C ATOM 799 C ASP A 54 22.123 -6.464 -11.361 1.00 62.32 C ATOM 800 O ASP A 54 21.155 -7.216 -11.473 1.00 23.01 O ATOM 801 CB ASP A 54 22.066 -4.494 -9.821 1.00 4.35 C ATOM 802 CG ASP A 54 22.319 -3.003 -9.706 1.00 32.22 C ATOM 803 OD1 ASP A 54 22.662 -2.378 -10.731 1.00 71.45 O ATOM 804 OD2 ASP A 54 22.172 -2.461 -8.590 1.00 65.35 O ATOM 0 H ASP A 54 19.846 -4.765 -11.198 1.00 55.14 H new ATOM 0 HA ASP A 54 22.707 -4.472 -11.870 1.00 71.32 H new ATOM 0 HB2 ASP A 54 21.156 -4.748 -9.278 1.00 4.35 H new ATOM 0 HB3 ASP A 54 22.883 -5.036 -9.345 1.00 4.35 H new ATOM 809 N MET A 55 23.377 -6.902 -11.311 1.00 42.51 N ATOM 810 CA MET A 55 23.694 -8.323 -11.385 1.00 30.14 C ATOM 811 C MET A 55 24.074 -8.867 -10.011 1.00 71.21 C ATOM 812 O MET A 55 23.749 -10.005 -9.674 1.00 20.14 O ATOM 813 CB MET A 55 24.836 -8.563 -12.375 1.00 15.44 C ATOM 814 CG MET A 55 24.597 -7.937 -13.740 1.00 23.54 C ATOM 815 SD MET A 55 23.207 -8.683 -14.612 1.00 33.40 S ATOM 816 CE MET A 55 22.827 -7.401 -15.803 1.00 11.40 C ATOM 0 H MET A 55 24.190 -6.293 -11.220 1.00 42.51 H new ATOM 0 HA MET A 55 22.805 -8.850 -11.733 1.00 30.14 H new ATOM 0 HB2 MET A 55 25.759 -8.162 -11.957 1.00 15.44 H new ATOM 0 HB3 MET A 55 24.981 -9.636 -12.497 1.00 15.44 H new ATOM 0 HG2 MET A 55 24.414 -6.869 -13.619 1.00 23.54 H new ATOM 0 HG3 MET A 55 25.498 -8.039 -14.345 1.00 23.54 H new ATOM 0 HE1 MET A 55 21.985 -7.715 -16.420 1.00 11.40 H new ATOM 0 HE2 MET A 55 22.569 -6.481 -15.278 1.00 11.40 H new ATOM 0 HE3 MET A 55 23.696 -7.225 -16.438 1.00 11.40 H new ATOM 826 N GLN A 56 24.763 -8.047 -9.225 1.00 23.03 N ATOM 827 CA GLN A 56 25.187 -8.448 -7.888 1.00 42.33 C ATOM 828 C GLN A 56 24.009 -8.981 -7.080 1.00 54.33 C ATOM 829 O GLN A 56 24.153 -9.918 -6.295 1.00 61.41 O ATOM 830 CB GLN A 56 25.829 -7.266 -7.158 1.00 73.52 C ATOM 831 CG GLN A 56 24.962 -6.018 -7.142 1.00 51.33 C ATOM 832 CD GLN A 56 25.706 -4.797 -6.638 1.00 21.23 C ATOM 833 OE1 GLN A 56 25.563 -4.403 -5.480 1.00 22.42 O ATOM 834 NE2 GLN A 56 26.507 -4.191 -7.506 1.00 52.33 N ATOM 0 H GLN A 56 25.040 -7.102 -9.490 1.00 23.03 H new ATOM 0 HA GLN A 56 25.923 -9.245 -7.991 1.00 42.33 H new ATOM 0 HB2 GLN A 56 26.048 -7.559 -6.131 1.00 73.52 H new ATOM 0 HB3 GLN A 56 26.782 -7.031 -7.633 1.00 73.52 H new ATOM 0 HG2 GLN A 56 24.593 -5.824 -8.149 1.00 51.33 H new ATOM 0 HG3 GLN A 56 24.090 -6.194 -6.511 1.00 51.33 H new ATOM 0 HE21 GLN A 56 26.596 -4.552 -8.456 1.00 52.33 H new ATOM 0 HE22 GLN A 56 27.034 -3.365 -7.223 1.00 52.33 H new ATOM 843 N THR A 57 22.841 -8.377 -7.277 1.00 53.34 N ATOM 844 CA THR A 57 21.637 -8.789 -6.566 1.00 63.12 C ATOM 845 C THR A 57 20.637 -9.443 -7.512 1.00 55.11 C ATOM 846 O THR A 57 19.979 -10.422 -7.157 1.00 21.12 O ATOM 847 CB THR A 57 20.961 -7.595 -5.867 1.00 10.11 C ATOM 848 OG1 THR A 57 19.674 -7.981 -5.373 1.00 74.31 O ATOM 849 CG2 THR A 57 20.812 -6.421 -6.823 1.00 73.43 C ATOM 0 H THR A 57 22.703 -7.600 -7.924 1.00 53.34 H new ATOM 0 HA THR A 57 21.947 -9.513 -5.812 1.00 63.12 H new ATOM 0 HB THR A 57 21.592 -7.286 -5.033 1.00 10.11 H new ATOM 0 HG1 THR A 57 19.285 -7.242 -4.860 1.00 74.31 H new ATOM 0 HG21 THR A 57 20.332 -5.590 -6.306 1.00 73.43 H new ATOM 0 HG22 THR A 57 21.796 -6.110 -7.174 1.00 73.43 H new ATOM 0 HG23 THR A 57 20.201 -6.720 -7.675 1.00 73.43 H new ATOM 857 N LEU A 58 20.526 -8.897 -8.718 1.00 14.31 N ATOM 858 CA LEU A 58 19.604 -9.428 -9.717 1.00 3.24 C ATOM 859 C LEU A 58 18.197 -9.562 -9.143 1.00 4.02 C ATOM 860 O LEU A 58 17.504 -10.548 -9.393 1.00 72.33 O ATOM 861 CB LEU A 58 20.094 -10.787 -10.219 1.00 41.14 C ATOM 862 CG LEU A 58 19.761 -11.125 -11.673 1.00 50.30 C ATOM 863 CD1 LEU A 58 20.899 -10.709 -12.592 1.00 23.31 C ATOM 864 CD2 LEU A 58 19.468 -12.611 -11.822 1.00 2.43 C ATOM 0 H LEU A 58 21.063 -8.087 -9.028 1.00 14.31 H new ATOM 0 HA LEU A 58 19.570 -8.729 -10.553 1.00 3.24 H new ATOM 0 HB2 LEU A 58 21.176 -10.829 -10.096 1.00 41.14 H new ATOM 0 HB3 LEU A 58 19.670 -11.562 -9.580 1.00 41.14 H new ATOM 0 HG LEU A 58 18.868 -10.569 -11.960 1.00 50.30 H new ATOM 0 HD11 LEU A 58 20.644 -10.957 -13.622 1.00 23.31 H new ATOM 0 HD12 LEU A 58 21.061 -9.634 -12.507 1.00 23.31 H new ATOM 0 HD13 LEU A 58 21.809 -11.237 -12.306 1.00 23.31 H new ATOM 0 HD21 LEU A 58 19.233 -12.833 -12.863 1.00 2.43 H new ATOM 0 HD22 LEU A 58 20.342 -13.187 -11.516 1.00 2.43 H new ATOM 0 HD23 LEU A 58 18.619 -12.879 -11.193 1.00 2.43 H new ATOM 876 N THR A 59 17.780 -8.562 -8.372 1.00 60.04 N ATOM 877 CA THR A 59 16.456 -8.567 -7.764 1.00 32.40 C ATOM 878 C THR A 59 15.384 -8.183 -8.777 1.00 74.32 C ATOM 879 O THR A 59 15.636 -7.458 -9.739 1.00 41.15 O ATOM 880 CB THR A 59 16.384 -7.601 -6.566 1.00 71.34 C ATOM 881 OG1 THR A 59 17.290 -6.510 -6.762 1.00 25.30 O ATOM 882 CG2 THR A 59 16.721 -8.321 -5.269 1.00 60.24 C ATOM 0 H THR A 59 18.341 -7.738 -8.154 1.00 60.04 H new ATOM 0 HA THR A 59 16.273 -9.583 -7.414 1.00 32.40 H new ATOM 0 HB THR A 59 15.366 -7.219 -6.496 1.00 71.34 H new ATOM 0 HG1 THR A 59 18.185 -6.770 -6.459 1.00 25.30 H new ATOM 0 HG21 THR A 59 16.664 -7.619 -4.437 1.00 60.24 H new ATOM 0 HG22 THR A 59 16.011 -9.132 -5.108 1.00 60.24 H new ATOM 0 HG23 THR A 59 17.730 -8.729 -5.331 1.00 60.24 H new ATOM 890 N PRO A 60 14.157 -8.679 -8.558 1.00 73.24 N ATOM 891 CA PRO A 60 13.021 -8.399 -9.442 1.00 34.34 C ATOM 892 C PRO A 60 12.558 -6.949 -9.349 1.00 32.32 C ATOM 893 O PRO A 60 12.946 -6.220 -8.436 1.00 33.43 O ATOM 894 CB PRO A 60 11.930 -9.343 -8.927 1.00 5.51 C ATOM 895 CG PRO A 60 12.282 -9.585 -7.500 1.00 1.03 C ATOM 896 CD PRO A 60 13.784 -9.551 -7.432 1.00 11.13 C ATOM 0 HA PRO A 60 13.274 -8.550 -10.491 1.00 34.34 H new ATOM 0 HB2 PRO A 60 10.941 -8.894 -9.020 1.00 5.51 H new ATOM 0 HB3 PRO A 60 11.912 -10.274 -9.494 1.00 5.51 H new ATOM 0 HG2 PRO A 60 11.845 -8.822 -6.856 1.00 1.03 H new ATOM 0 HG3 PRO A 60 11.898 -10.547 -7.161 1.00 1.03 H new ATOM 0 HD2 PRO A 60 14.134 -9.151 -6.481 1.00 11.13 H new ATOM 0 HD3 PRO A 60 14.214 -10.547 -7.536 1.00 11.13 H new ATOM 904 N VAL A 61 11.726 -6.537 -10.300 1.00 14.43 N ATOM 905 CA VAL A 61 11.208 -5.174 -10.324 1.00 13.13 C ATOM 906 C VAL A 61 9.822 -5.124 -10.956 1.00 54.24 C ATOM 907 O VAL A 61 9.400 -6.064 -11.629 1.00 3.11 O ATOM 908 CB VAL A 61 12.147 -4.230 -11.097 1.00 4.20 C ATOM 909 CG1 VAL A 61 13.401 -3.942 -10.286 1.00 25.14 C ATOM 910 CG2 VAL A 61 12.503 -4.825 -12.451 1.00 44.20 C ATOM 0 H VAL A 61 11.396 -7.127 -11.064 1.00 14.43 H new ATOM 0 HA VAL A 61 11.144 -4.842 -9.288 1.00 13.13 H new ATOM 0 HB VAL A 61 11.628 -3.287 -11.265 1.00 4.20 H new ATOM 0 HG11 VAL A 61 14.052 -3.273 -10.849 1.00 25.14 H new ATOM 0 HG12 VAL A 61 13.124 -3.471 -9.343 1.00 25.14 H new ATOM 0 HG13 VAL A 61 13.926 -4.876 -10.084 1.00 25.14 H new ATOM 0 HG21 VAL A 61 13.167 -4.145 -12.984 1.00 44.20 H new ATOM 0 HG22 VAL A 61 13.003 -5.783 -12.307 1.00 44.20 H new ATOM 0 HG23 VAL A 61 11.594 -4.975 -13.033 1.00 44.20 H new ATOM 920 N GLY A 62 9.116 -4.018 -10.736 1.00 71.54 N ATOM 921 CA GLY A 62 7.784 -3.865 -11.293 1.00 24.43 C ATOM 922 C GLY A 62 6.765 -4.755 -10.609 1.00 53.31 C ATOM 923 O GLY A 62 7.060 -5.380 -9.591 1.00 22.03 O ATOM 0 H GLY A 62 9.443 -3.226 -10.182 1.00 71.54 H new ATOM 0 HA2 GLY A 62 7.473 -2.824 -11.202 1.00 24.43 H new ATOM 0 HA3 GLY A 62 7.809 -4.098 -12.357 1.00 24.43 H new ATOM 927 N ARG A 63 5.561 -4.810 -11.169 1.00 34.31 N ATOM 928 CA ARG A 63 4.493 -5.628 -10.605 1.00 40.41 C ATOM 929 C ARG A 63 3.977 -6.631 -11.632 1.00 33.30 C ATOM 930 O ARG A 63 3.867 -6.321 -12.819 1.00 3.21 O ATOM 931 CB ARG A 63 3.345 -4.741 -10.121 1.00 15.23 C ATOM 932 CG ARG A 63 3.606 -4.088 -8.773 1.00 74.11 C ATOM 933 CD ARG A 63 3.481 -5.090 -7.636 1.00 13.44 C ATOM 934 NE ARG A 63 2.087 -5.412 -7.341 1.00 22.30 N ATOM 935 CZ ARG A 63 1.260 -4.588 -6.707 1.00 62.41 C ATOM 936 NH1 ARG A 63 1.684 -3.399 -6.304 1.00 4.31 N ATOM 937 NH2 ARG A 63 0.006 -4.954 -6.476 1.00 13.21 N ATOM 0 H ARG A 63 5.300 -4.298 -12.012 1.00 34.31 H new ATOM 0 HA ARG A 63 4.900 -6.179 -9.757 1.00 40.41 H new ATOM 0 HB2 ARG A 63 3.161 -3.963 -10.862 1.00 15.23 H new ATOM 0 HB3 ARG A 63 2.437 -5.340 -10.055 1.00 15.23 H new ATOM 0 HG2 ARG A 63 4.605 -3.651 -8.766 1.00 74.11 H new ATOM 0 HG3 ARG A 63 2.900 -3.272 -8.620 1.00 74.11 H new ATOM 0 HD2 ARG A 63 4.017 -6.003 -7.897 1.00 13.44 H new ATOM 0 HD3 ARG A 63 3.957 -4.686 -6.742 1.00 13.44 H new ATOM 0 HE ARG A 63 1.729 -6.320 -7.638 1.00 22.30 H new ATOM 0 HH11 ARG A 63 2.647 -3.114 -6.480 1.00 4.31 H new ATOM 0 HH12 ARG A 63 1.047 -2.768 -5.817 1.00 4.31 H new ATOM 0 HH21 ARG A 63 -0.324 -5.868 -6.785 1.00 13.21 H new ATOM 0 HH22 ARG A 63 -0.629 -4.321 -5.989 1.00 13.21 H new ATOM 951 N LEU A 64 3.661 -7.835 -11.168 1.00 22.23 N ATOM 952 CA LEU A 64 3.157 -8.886 -12.045 1.00 53.45 C ATOM 953 C LEU A 64 1.805 -8.499 -12.636 1.00 52.14 C ATOM 954 O LEU A 64 0.910 -8.049 -11.921 1.00 14.32 O ATOM 955 CB LEU A 64 3.033 -10.203 -11.278 1.00 14.01 C ATOM 956 CG LEU A 64 4.303 -11.048 -11.185 1.00 64.35 C ATOM 957 CD1 LEU A 64 4.717 -11.543 -12.563 1.00 1.41 C ATOM 958 CD2 LEU A 64 5.429 -10.251 -10.543 1.00 11.22 C ATOM 0 H LEU A 64 3.745 -8.108 -10.189 1.00 22.23 H new ATOM 0 HA LEU A 64 3.867 -9.015 -12.862 1.00 53.45 H new ATOM 0 HB2 LEU A 64 2.694 -9.980 -10.266 1.00 14.01 H new ATOM 0 HB3 LEU A 64 2.255 -10.803 -11.750 1.00 14.01 H new ATOM 0 HG LEU A 64 4.094 -11.914 -10.557 1.00 64.35 H new ATOM 0 HD11 LEU A 64 5.623 -12.143 -12.477 1.00 1.41 H new ATOM 0 HD12 LEU A 64 3.918 -12.151 -12.986 1.00 1.41 H new ATOM 0 HD13 LEU A 64 4.907 -10.690 -13.214 1.00 1.41 H new ATOM 0 HD21 LEU A 64 6.325 -10.869 -10.485 1.00 11.22 H new ATOM 0 HD22 LEU A 64 5.637 -9.366 -11.144 1.00 11.22 H new ATOM 0 HD23 LEU A 64 5.133 -9.947 -9.539 1.00 11.22 H new ATOM 970 N ILE A 65 1.664 -8.679 -13.945 1.00 74.42 N ATOM 971 CA ILE A 65 0.420 -8.351 -14.631 1.00 43.24 C ATOM 972 C ILE A 65 -0.393 -9.606 -14.926 1.00 73.43 C ATOM 973 O ILE A 65 -1.601 -9.648 -14.688 1.00 23.24 O ATOM 974 CB ILE A 65 0.686 -7.603 -15.952 1.00 24.45 C ATOM 975 CG1 ILE A 65 1.513 -6.342 -15.691 1.00 60.43 C ATOM 976 CG2 ILE A 65 -0.627 -7.251 -16.635 1.00 25.14 C ATOM 977 CD1 ILE A 65 0.826 -5.346 -14.784 1.00 54.25 C ATOM 0 H ILE A 65 2.395 -9.050 -14.552 1.00 74.42 H new ATOM 0 HA ILE A 65 -0.147 -7.703 -13.963 1.00 43.24 H new ATOM 0 HB ILE A 65 1.253 -8.256 -16.615 1.00 24.45 H new ATOM 0 HG12 ILE A 65 2.466 -6.628 -15.247 1.00 60.43 H new ATOM 0 HG13 ILE A 65 1.736 -5.860 -16.643 1.00 60.43 H new ATOM 0 HG21 ILE A 65 -0.423 -6.723 -17.566 1.00 25.14 H new ATOM 0 HG22 ILE A 65 -1.182 -8.164 -16.850 1.00 25.14 H new ATOM 0 HG23 ILE A 65 -1.219 -6.613 -15.979 1.00 25.14 H new ATOM 0 HD11 ILE A 65 1.470 -4.478 -14.643 1.00 54.25 H new ATOM 0 HD12 ILE A 65 -0.115 -5.031 -15.236 1.00 54.25 H new ATOM 0 HD13 ILE A 65 0.627 -5.810 -13.818 1.00 54.25 H new ATOM 989 N THR A 66 0.277 -10.631 -15.446 1.00 15.34 N ATOM 990 CA THR A 66 -0.383 -11.889 -15.771 1.00 21.01 C ATOM 991 C THR A 66 -0.810 -12.628 -14.508 1.00 71.41 C ATOM 992 O THR A 66 -0.506 -12.201 -13.395 1.00 35.23 O ATOM 993 CB THR A 66 0.534 -12.805 -16.603 1.00 60.11 C ATOM 994 OG1 THR A 66 -0.210 -13.924 -17.097 1.00 61.44 O ATOM 995 CG2 THR A 66 1.707 -13.298 -15.770 1.00 3.24 C ATOM 0 H THR A 66 1.276 -10.614 -15.651 1.00 15.34 H new ATOM 0 HA THR A 66 -1.266 -11.640 -16.359 1.00 21.01 H new ATOM 0 HB THR A 66 0.922 -12.228 -17.442 1.00 60.11 H new ATOM 0 HG1 THR A 66 0.260 -14.318 -17.861 1.00 61.44 H new ATOM 0 HG21 THR A 66 2.340 -13.943 -16.379 1.00 3.24 H new ATOM 0 HG22 THR A 66 2.288 -12.445 -15.419 1.00 3.24 H new ATOM 0 HG23 THR A 66 1.334 -13.860 -14.913 1.00 3.24 H new ATOM 1003 N ALA A 67 -1.516 -13.740 -14.689 1.00 23.01 N ATOM 1004 CA ALA A 67 -1.981 -14.541 -13.564 1.00 13.15 C ATOM 1005 C ALA A 67 -1.057 -15.728 -13.315 1.00 72.21 C ATOM 1006 O ALA A 67 -0.497 -15.874 -12.230 1.00 33.25 O ATOM 1007 CB ALA A 67 -3.404 -15.020 -13.809 1.00 54.44 C ATOM 0 H ALA A 67 -1.778 -14.106 -15.604 1.00 23.01 H new ATOM 0 HA ALA A 67 -1.969 -13.912 -12.674 1.00 13.15 H new ATOM 0 HB1 ALA A 67 -3.738 -15.617 -12.960 1.00 54.44 H new ATOM 0 HB2 ALA A 67 -4.062 -14.159 -13.929 1.00 54.44 H new ATOM 0 HB3 ALA A 67 -3.433 -15.627 -14.714 1.00 54.44 H new ATOM 1013 N ASN A 68 -0.903 -16.574 -14.328 1.00 71.33 N ATOM 1014 CA ASN A 68 -0.047 -17.750 -14.219 1.00 32.22 C ATOM 1015 C ASN A 68 0.098 -18.445 -15.569 1.00 43.23 C ATOM 1016 O ASN A 68 -0.475 -19.506 -15.814 1.00 74.34 O ATOM 1017 CB ASN A 68 -0.617 -18.727 -13.189 1.00 34.42 C ATOM 1018 CG ASN A 68 0.387 -19.787 -12.779 1.00 62.24 C ATOM 1019 OD1 ASN A 68 1.596 -19.558 -12.812 1.00 3.33 O ATOM 1020 ND2 ASN A 68 -0.111 -20.956 -12.392 1.00 4.32 N ATOM 0 H ASN A 68 -1.360 -16.467 -15.234 1.00 71.33 H new ATOM 0 HA ASN A 68 0.939 -17.421 -13.892 1.00 32.22 H new ATOM 0 HB2 ASN A 68 -0.938 -18.174 -12.306 1.00 34.42 H new ATOM 0 HB3 ASN A 68 -1.503 -19.210 -13.602 1.00 34.42 H new ATOM 0 HD21 ASN A 68 0.516 -21.708 -12.106 1.00 4.32 H new ATOM 0 HD22 ASN A 68 -1.120 -21.102 -12.380 1.00 4.32 H new ATOM 1027 N PRO A 69 0.885 -17.833 -16.468 1.00 35.35 N ATOM 1028 CA PRO A 69 1.125 -18.375 -17.808 1.00 74.13 C ATOM 1029 C PRO A 69 1.976 -19.640 -17.779 1.00 12.14 C ATOM 1030 O PRO A 69 3.093 -19.637 -17.260 1.00 55.34 O ATOM 1031 CB PRO A 69 1.872 -17.244 -18.519 1.00 70.23 C ATOM 1032 CG PRO A 69 2.527 -16.476 -17.424 1.00 11.40 C ATOM 1033 CD PRO A 69 1.600 -16.566 -16.243 1.00 62.02 C ATOM 0 HA PRO A 69 0.198 -18.668 -18.301 1.00 74.13 H new ATOM 0 HB2 PRO A 69 2.607 -17.636 -19.222 1.00 70.23 H new ATOM 0 HB3 PRO A 69 1.188 -16.615 -19.089 1.00 70.23 H new ATOM 0 HG2 PRO A 69 3.505 -16.894 -17.185 1.00 11.40 H new ATOM 0 HG3 PRO A 69 2.687 -15.438 -17.717 1.00 11.40 H new ATOM 0 HD2 PRO A 69 2.149 -16.576 -15.301 1.00 62.02 H new ATOM 0 HD3 PRO A 69 0.915 -15.719 -16.204 1.00 62.02 H new ATOM 1041 N VAL A 70 1.441 -20.721 -18.338 1.00 44.22 N ATOM 1042 CA VAL A 70 2.153 -21.993 -18.378 1.00 4.52 C ATOM 1043 C VAL A 70 1.938 -22.701 -19.710 1.00 63.43 C ATOM 1044 O VAL A 70 0.837 -22.688 -20.261 1.00 60.31 O ATOM 1045 CB VAL A 70 1.704 -22.923 -17.235 1.00 44.04 C ATOM 1046 CG1 VAL A 70 1.906 -22.249 -15.887 1.00 1.21 C ATOM 1047 CG2 VAL A 70 0.252 -23.334 -17.423 1.00 52.13 C ATOM 0 H VAL A 70 0.517 -20.741 -18.769 1.00 44.22 H new ATOM 0 HA VAL A 70 3.213 -21.767 -18.257 1.00 4.52 H new ATOM 0 HB VAL A 70 2.319 -23.823 -17.259 1.00 44.04 H new ATOM 0 HG11 VAL A 70 1.583 -22.921 -15.092 1.00 1.21 H new ATOM 0 HG12 VAL A 70 2.961 -22.010 -15.754 1.00 1.21 H new ATOM 0 HG13 VAL A 70 1.319 -21.332 -15.847 1.00 1.21 H new ATOM 0 HG21 VAL A 70 -0.049 -23.991 -16.607 1.00 52.13 H new ATOM 0 HG22 VAL A 70 -0.380 -22.446 -17.426 1.00 52.13 H new ATOM 0 HG23 VAL A 70 0.143 -23.860 -18.371 1.00 52.13 H new ATOM 1057 N ILE A 71 2.997 -23.320 -20.223 1.00 12.23 N ATOM 1058 CA ILE A 71 2.923 -24.036 -21.490 1.00 61.10 C ATOM 1059 C ILE A 71 2.076 -25.297 -21.360 1.00 71.42 C ATOM 1060 O ILE A 71 2.460 -26.250 -20.681 1.00 31.12 O ATOM 1061 CB ILE A 71 4.324 -24.422 -22.001 1.00 32.43 C ATOM 1062 CG1 ILE A 71 5.214 -23.182 -22.101 1.00 51.11 C ATOM 1063 CG2 ILE A 71 4.222 -25.119 -23.350 1.00 3.25 C ATOM 1064 CD1 ILE A 71 4.651 -22.106 -23.004 1.00 25.14 C ATOM 0 H ILE A 71 3.916 -23.340 -19.780 1.00 12.23 H new ATOM 0 HA ILE A 71 2.457 -23.361 -22.208 1.00 61.10 H new ATOM 0 HB ILE A 71 4.776 -25.114 -21.290 1.00 32.43 H new ATOM 0 HG12 ILE A 71 5.360 -22.768 -21.103 1.00 51.11 H new ATOM 0 HG13 ILE A 71 6.196 -23.478 -22.470 1.00 51.11 H new ATOM 0 HG21 ILE A 71 5.220 -25.386 -23.698 1.00 3.25 H new ATOM 0 HG22 ILE A 71 3.620 -26.022 -23.248 1.00 3.25 H new ATOM 0 HG23 ILE A 71 3.753 -24.449 -24.071 1.00 3.25 H new ATOM 0 HD11 ILE A 71 5.334 -21.257 -23.028 1.00 25.14 H new ATOM 0 HD12 ILE A 71 4.531 -22.503 -24.012 1.00 25.14 H new ATOM 0 HD13 ILE A 71 3.682 -21.782 -22.624 1.00 25.14 H new ATOM 1076 N THR A 72 0.921 -25.298 -22.018 1.00 35.11 N ATOM 1077 CA THR A 72 0.019 -26.442 -21.977 1.00 35.10 C ATOM 1078 C THR A 72 -0.013 -27.166 -23.318 1.00 42.12 C ATOM 1079 O THR A 72 -0.121 -28.390 -23.370 1.00 23.50 O ATOM 1080 CB THR A 72 -1.414 -26.015 -21.603 1.00 64.23 C ATOM 1081 OG1 THR A 72 -1.671 -24.691 -22.085 1.00 35.54 O ATOM 1082 CG2 THR A 72 -1.616 -26.061 -20.096 1.00 40.23 C ATOM 0 H THR A 72 0.588 -24.519 -22.586 1.00 35.11 H new ATOM 0 HA THR A 72 0.401 -27.118 -21.211 1.00 35.10 H new ATOM 0 HB THR A 72 -2.111 -26.712 -22.068 1.00 64.23 H new ATOM 0 HG1 THR A 72 -2.584 -24.427 -21.845 1.00 35.54 H new ATOM 0 HG21 THR A 72 -2.634 -25.756 -19.856 1.00 40.23 H new ATOM 0 HG22 THR A 72 -1.447 -27.076 -19.737 1.00 40.23 H new ATOM 0 HG23 THR A 72 -0.911 -25.384 -19.614 1.00 40.23 H new ATOM 1090 N GLU A 73 0.083 -26.400 -24.401 1.00 31.50 N ATOM 1091 CA GLU A 73 0.065 -26.971 -25.743 1.00 1.12 C ATOM 1092 C GLU A 73 1.105 -28.080 -25.876 1.00 53.04 C ATOM 1093 O GLU A 73 2.221 -27.963 -25.371 1.00 31.44 O ATOM 1094 CB GLU A 73 0.327 -25.883 -26.787 1.00 34.31 C ATOM 1095 CG GLU A 73 -0.900 -25.050 -27.119 1.00 31.35 C ATOM 1096 CD GLU A 73 -0.631 -24.020 -28.198 1.00 53.10 C ATOM 1097 OE1 GLU A 73 0.556 -23.754 -28.481 1.00 12.12 O ATOM 1098 OE2 GLU A 73 -1.607 -23.480 -28.760 1.00 1.34 O ATOM 0 H GLU A 73 0.174 -25.384 -24.375 1.00 31.50 H new ATOM 0 HA GLU A 73 -0.922 -27.400 -25.915 1.00 1.12 H new ATOM 0 HB2 GLU A 73 1.115 -25.224 -26.423 1.00 34.31 H new ATOM 0 HB3 GLU A 73 0.697 -26.349 -27.700 1.00 34.31 H new ATOM 0 HG2 GLU A 73 -1.705 -25.709 -27.444 1.00 31.35 H new ATOM 0 HG3 GLU A 73 -1.246 -24.544 -26.217 1.00 31.35 H new ATOM 1105 N SER A 74 0.729 -29.156 -26.561 1.00 10.24 N ATOM 1106 CA SER A 74 1.626 -30.288 -26.757 1.00 62.35 C ATOM 1107 C SER A 74 2.571 -30.036 -27.929 1.00 10.24 C ATOM 1108 O SER A 74 3.743 -30.411 -27.889 1.00 3.23 O ATOM 1109 CB SER A 74 0.822 -31.567 -27.003 1.00 1.43 C ATOM 1110 OG SER A 74 -0.186 -31.356 -27.976 1.00 62.13 O ATOM 0 H SER A 74 -0.190 -29.267 -26.989 1.00 10.24 H new ATOM 0 HA SER A 74 2.221 -30.409 -25.852 1.00 62.35 H new ATOM 0 HB2 SER A 74 1.490 -32.362 -27.333 1.00 1.43 H new ATOM 0 HB3 SER A 74 0.367 -31.900 -26.070 1.00 1.43 H new ATOM 0 HG SER A 74 -0.684 -32.188 -28.117 1.00 62.13 H new ATOM 1116 N THR A 75 2.052 -29.397 -28.972 1.00 52.25 N ATOM 1117 CA THR A 75 2.847 -29.093 -30.156 1.00 30.45 C ATOM 1118 C THR A 75 4.133 -28.365 -29.782 1.00 12.12 C ATOM 1119 O THR A 75 4.100 -27.340 -29.102 1.00 44.31 O ATOM 1120 CB THR A 75 2.056 -28.233 -31.159 1.00 12.24 C ATOM 1121 OG1 THR A 75 1.373 -27.180 -30.469 1.00 41.21 O ATOM 1122 CG2 THR A 75 1.050 -29.080 -31.924 1.00 23.34 C ATOM 0 H THR A 75 1.084 -29.080 -29.021 1.00 52.25 H new ATOM 0 HA THR A 75 3.095 -30.046 -30.623 1.00 30.45 H new ATOM 0 HB THR A 75 2.761 -27.804 -31.871 1.00 12.24 H new ATOM 0 HG1 THR A 75 1.971 -26.784 -29.801 1.00 41.21 H new ATOM 0 HG21 THR A 75 0.504 -28.450 -32.626 1.00 23.34 H new ATOM 0 HG22 THR A 75 1.575 -29.863 -32.471 1.00 23.34 H new ATOM 0 HG23 THR A 75 0.350 -29.534 -31.223 1.00 23.34 H new ATOM 1130 N GLU A 76 5.263 -28.901 -30.231 1.00 43.12 N ATOM 1131 CA GLU A 76 6.560 -28.300 -29.942 1.00 63.35 C ATOM 1132 C GLU A 76 6.591 -26.838 -30.377 1.00 3.35 C ATOM 1133 O GLU A 76 5.736 -26.387 -31.138 1.00 25.11 O ATOM 1134 CB GLU A 76 7.675 -29.076 -30.647 1.00 71.52 C ATOM 1135 CG GLU A 76 7.455 -29.235 -32.142 1.00 73.32 C ATOM 1136 CD GLU A 76 8.755 -29.336 -32.916 1.00 31.31 C ATOM 1137 OE1 GLU A 76 8.781 -28.908 -34.089 1.00 23.21 O ATOM 1138 OE2 GLU A 76 9.745 -29.843 -32.349 1.00 63.32 O ATOM 0 H GLU A 76 5.307 -29.749 -30.796 1.00 43.12 H new ATOM 0 HA GLU A 76 6.720 -28.345 -28.865 1.00 63.35 H new ATOM 0 HB2 GLU A 76 8.623 -28.565 -30.480 1.00 71.52 H new ATOM 0 HB3 GLU A 76 7.761 -30.064 -30.194 1.00 71.52 H new ATOM 0 HG2 GLU A 76 6.858 -30.128 -32.324 1.00 73.32 H new ATOM 0 HG3 GLU A 76 6.881 -28.386 -32.513 1.00 73.32 H new ATOM 1145 N ASN A 77 7.583 -26.102 -29.885 1.00 40.33 N ATOM 1146 CA ASN A 77 7.724 -24.689 -30.219 1.00 63.02 C ATOM 1147 C ASN A 77 6.522 -23.890 -29.725 1.00 20.31 C ATOM 1148 O ASN A 77 6.060 -22.966 -30.394 1.00 61.21 O ATOM 1149 CB ASN A 77 7.880 -24.514 -31.731 1.00 63.01 C ATOM 1150 CG ASN A 77 8.686 -25.633 -32.363 1.00 34.24 C ATOM 1151 OD1 ASN A 77 8.247 -26.261 -33.326 1.00 71.23 O ATOM 1152 ND2 ASN A 77 9.871 -25.888 -31.820 1.00 52.24 N ATOM 0 H ASN A 77 8.300 -26.460 -29.254 1.00 40.33 H new ATOM 0 HA ASN A 77 8.618 -24.312 -29.722 1.00 63.02 H new ATOM 0 HB2 ASN A 77 6.894 -24.475 -32.193 1.00 63.01 H new ATOM 0 HB3 ASN A 77 8.366 -23.560 -31.935 1.00 63.01 H new ATOM 0 HD21 ASN A 77 10.457 -26.630 -32.201 1.00 52.24 H new ATOM 0 HD22 ASN A 77 10.195 -25.341 -31.022 1.00 52.24 H new ATOM 1159 N SER A 78 6.020 -24.253 -28.549 1.00 25.23 N ATOM 1160 CA SER A 78 4.869 -23.574 -27.966 1.00 5.51 C ATOM 1161 C SER A 78 5.307 -22.340 -27.182 1.00 33.25 C ATOM 1162 O SER A 78 6.246 -22.395 -26.388 1.00 22.24 O ATOM 1163 CB SER A 78 4.097 -24.526 -27.051 1.00 61.24 C ATOM 1164 OG SER A 78 3.453 -23.819 -26.005 1.00 63.25 O ATOM 0 H SER A 78 6.393 -25.014 -27.981 1.00 25.23 H new ATOM 0 HA SER A 78 4.216 -23.255 -28.779 1.00 5.51 H new ATOM 0 HB2 SER A 78 3.356 -25.074 -27.633 1.00 61.24 H new ATOM 0 HB3 SER A 78 4.780 -25.263 -26.629 1.00 61.24 H new ATOM 0 HG SER A 78 2.554 -23.555 -26.294 1.00 63.25 H new ATOM 1170 N LYS A 79 4.618 -21.227 -27.410 1.00 2.12 N ATOM 1171 CA LYS A 79 4.933 -19.978 -26.726 1.00 33.45 C ATOM 1172 C LYS A 79 3.667 -19.322 -26.183 1.00 4.14 C ATOM 1173 O LYS A 79 2.560 -19.624 -26.627 1.00 65.42 O ATOM 1174 CB LYS A 79 5.650 -19.018 -27.677 1.00 22.21 C ATOM 1175 CG LYS A 79 4.853 -18.692 -28.928 1.00 13.03 C ATOM 1176 CD LYS A 79 5.763 -18.376 -30.103 1.00 13.44 C ATOM 1177 CE LYS A 79 5.008 -18.429 -31.422 1.00 63.12 C ATOM 1178 NZ LYS A 79 4.024 -17.318 -31.544 1.00 21.21 N ATOM 0 H LYS A 79 3.837 -21.164 -28.064 1.00 2.12 H new ATOM 0 HA LYS A 79 5.591 -20.207 -25.888 1.00 33.45 H new ATOM 0 HB2 LYS A 79 5.872 -18.092 -27.146 1.00 22.21 H new ATOM 0 HB3 LYS A 79 6.605 -19.455 -27.969 1.00 22.21 H new ATOM 0 HG2 LYS A 79 4.210 -19.535 -29.181 1.00 13.03 H new ATOM 0 HG3 LYS A 79 4.200 -17.841 -28.733 1.00 13.03 H new ATOM 0 HD2 LYS A 79 6.198 -17.385 -29.971 1.00 13.44 H new ATOM 0 HD3 LYS A 79 6.589 -19.087 -30.126 1.00 13.44 H new ATOM 0 HE2 LYS A 79 5.717 -18.378 -32.248 1.00 63.12 H new ATOM 0 HE3 LYS A 79 4.489 -19.384 -31.505 1.00 63.12 H new ATOM 0 HZ1 LYS A 79 3.531 -17.390 -32.457 1.00 21.21 H new ATOM 0 HZ2 LYS A 79 3.332 -17.381 -30.770 1.00 21.21 H new ATOM 0 HZ3 LYS A 79 4.521 -16.406 -31.490 1.00 21.21 H new ATOM 1192 N MET A 80 3.840 -18.421 -25.220 1.00 75.44 N ATOM 1193 CA MET A 80 2.711 -17.720 -24.620 1.00 33.45 C ATOM 1194 C MET A 80 3.064 -16.264 -24.335 1.00 41.15 C ATOM 1195 O MET A 80 4.150 -15.965 -23.841 1.00 4.52 O ATOM 1196 CB MET A 80 2.282 -18.415 -23.326 1.00 12.03 C ATOM 1197 CG MET A 80 1.238 -19.500 -23.536 1.00 25.33 C ATOM 1198 SD MET A 80 -0.392 -18.832 -23.917 1.00 12.12 S ATOM 1199 CE MET A 80 -0.790 -19.740 -25.409 1.00 11.15 C ATOM 0 H MET A 80 4.750 -18.160 -24.840 1.00 75.44 H new ATOM 0 HA MET A 80 1.883 -17.743 -25.329 1.00 33.45 H new ATOM 0 HB2 MET A 80 3.159 -18.854 -22.851 1.00 12.03 H new ATOM 0 HB3 MET A 80 1.886 -17.669 -22.637 1.00 12.03 H new ATOM 0 HG2 MET A 80 1.557 -20.153 -24.348 1.00 25.33 H new ATOM 0 HG3 MET A 80 1.173 -20.115 -22.638 1.00 25.33 H new ATOM 0 HE1 MET A 80 -1.773 -19.436 -25.768 1.00 11.15 H new ATOM 0 HE2 MET A 80 -0.043 -19.529 -26.174 1.00 11.15 H new ATOM 0 HE3 MET A 80 -0.797 -20.809 -25.194 1.00 11.15 H new ATOM 1209 N MET A 81 2.140 -15.363 -24.652 1.00 51.11 N ATOM 1210 CA MET A 81 2.355 -13.938 -24.429 1.00 52.35 C ATOM 1211 C MET A 81 2.159 -13.582 -22.959 1.00 41.42 C ATOM 1212 O MET A 81 1.199 -14.022 -22.326 1.00 12.22 O ATOM 1213 CB MET A 81 1.401 -13.115 -25.297 1.00 54.30 C ATOM 1214 CG MET A 81 1.943 -11.743 -25.663 1.00 51.34 C ATOM 1215 SD MET A 81 0.637 -10.527 -25.923 1.00 43.52 S ATOM 1216 CE MET A 81 -0.001 -11.049 -27.513 1.00 62.11 C ATOM 0 H MET A 81 1.236 -15.594 -25.064 1.00 51.11 H new ATOM 0 HA MET A 81 3.382 -13.703 -24.707 1.00 52.35 H new ATOM 0 HB2 MET A 81 1.187 -13.668 -26.212 1.00 54.30 H new ATOM 0 HB3 MET A 81 0.455 -12.994 -24.769 1.00 54.30 H new ATOM 0 HG2 MET A 81 2.605 -11.395 -24.870 1.00 51.34 H new ATOM 0 HG3 MET A 81 2.544 -11.824 -26.569 1.00 51.34 H new ATOM 0 HE1 MET A 81 -0.818 -10.392 -27.811 1.00 62.11 H new ATOM 0 HE2 MET A 81 0.794 -11.001 -28.258 1.00 62.11 H new ATOM 0 HE3 MET A 81 -0.368 -12.073 -27.440 1.00 62.11 H new ATOM 1226 N LEU A 82 3.075 -12.783 -22.422 1.00 34.03 N ATOM 1227 CA LEU A 82 3.002 -12.367 -21.025 1.00 52.45 C ATOM 1228 C LEU A 82 2.854 -10.852 -20.916 1.00 32.52 C ATOM 1229 O LEU A 82 3.024 -10.130 -21.898 1.00 31.45 O ATOM 1230 CB LEU A 82 4.251 -12.824 -20.271 1.00 30.45 C ATOM 1231 CG LEU A 82 4.210 -14.244 -19.703 1.00 13.53 C ATOM 1232 CD1 LEU A 82 4.477 -15.265 -20.798 1.00 0.45 C ATOM 1233 CD2 LEU A 82 5.217 -14.395 -18.572 1.00 72.00 C ATOM 0 H LEU A 82 3.876 -12.411 -22.932 1.00 34.03 H new ATOM 0 HA LEU A 82 2.124 -12.833 -20.577 1.00 52.45 H new ATOM 0 HB2 LEU A 82 5.105 -12.748 -20.944 1.00 30.45 H new ATOM 0 HB3 LEU A 82 4.429 -12.130 -19.449 1.00 30.45 H new ATOM 0 HG LEU A 82 3.213 -14.426 -19.301 1.00 13.53 H new ATOM 0 HD11 LEU A 82 4.444 -16.269 -20.375 1.00 0.45 H new ATOM 0 HD12 LEU A 82 3.717 -15.173 -21.574 1.00 0.45 H new ATOM 0 HD13 LEU A 82 5.461 -15.086 -21.230 1.00 0.45 H new ATOM 0 HD21 LEU A 82 5.174 -15.411 -18.180 1.00 72.00 H new ATOM 0 HD22 LEU A 82 6.220 -14.193 -18.948 1.00 72.00 H new ATOM 0 HD23 LEU A 82 4.979 -13.689 -17.776 1.00 72.00 H new ATOM 1245 N GLU A 83 2.538 -10.379 -19.714 1.00 71.33 N ATOM 1246 CA GLU A 83 2.368 -8.951 -19.477 1.00 51.42 C ATOM 1247 C GLU A 83 3.293 -8.470 -18.363 1.00 64.11 C ATOM 1248 O GLU A 83 3.281 -9.008 -17.255 1.00 43.00 O ATOM 1249 CB GLU A 83 0.914 -8.640 -19.116 1.00 74.54 C ATOM 1250 CG GLU A 83 -0.071 -8.961 -20.228 1.00 71.42 C ATOM 1251 CD GLU A 83 0.144 -8.108 -21.463 1.00 3.43 C ATOM 1252 OE1 GLU A 83 0.410 -6.897 -21.307 1.00 64.31 O ATOM 1253 OE2 GLU A 83 0.047 -8.649 -22.584 1.00 13.04 O ATOM 0 H GLU A 83 2.395 -10.964 -18.891 1.00 71.33 H new ATOM 0 HA GLU A 83 2.628 -8.424 -20.395 1.00 51.42 H new ATOM 0 HB2 GLU A 83 0.641 -9.206 -18.225 1.00 74.54 H new ATOM 0 HB3 GLU A 83 0.830 -7.584 -18.861 1.00 74.54 H new ATOM 0 HG2 GLU A 83 0.021 -10.013 -20.497 1.00 71.42 H new ATOM 0 HG3 GLU A 83 -1.087 -8.814 -19.862 1.00 71.42 H new ATOM 1260 N LEU A 84 4.095 -7.455 -18.665 1.00 41.20 N ATOM 1261 CA LEU A 84 5.028 -6.901 -17.690 1.00 41.41 C ATOM 1262 C LEU A 84 4.900 -5.383 -17.616 1.00 1.53 C ATOM 1263 O LEU A 84 4.551 -4.730 -18.600 1.00 24.02 O ATOM 1264 CB LEU A 84 6.464 -7.286 -18.052 1.00 55.45 C ATOM 1265 CG LEU A 84 6.660 -8.696 -18.610 1.00 52.34 C ATOM 1266 CD1 LEU A 84 8.079 -8.873 -19.127 1.00 3.25 C ATOM 1267 CD2 LEU A 84 6.343 -9.738 -17.548 1.00 75.43 C ATOM 0 H LEU A 84 4.118 -6.999 -19.577 1.00 41.20 H new ATOM 0 HA LEU A 84 4.783 -7.316 -16.713 1.00 41.41 H new ATOM 0 HB2 LEU A 84 6.837 -6.571 -18.786 1.00 55.45 H new ATOM 0 HB3 LEU A 84 7.083 -7.180 -17.161 1.00 55.45 H new ATOM 0 HG LEU A 84 5.972 -8.835 -19.444 1.00 52.34 H new ATOM 0 HD11 LEU A 84 8.200 -9.882 -19.520 1.00 3.25 H new ATOM 0 HD12 LEU A 84 8.270 -8.150 -19.920 1.00 3.25 H new ATOM 0 HD13 LEU A 84 8.786 -8.714 -18.312 1.00 3.25 H new ATOM 0 HD21 LEU A 84 6.488 -10.736 -17.962 1.00 75.43 H new ATOM 0 HD22 LEU A 84 7.006 -9.600 -16.694 1.00 75.43 H new ATOM 0 HD23 LEU A 84 5.308 -9.626 -17.226 1.00 75.43 H new ATOM 1279 N ASP A 85 5.186 -4.827 -16.444 1.00 2.34 N ATOM 1280 CA ASP A 85 5.106 -3.385 -16.241 1.00 54.21 C ATOM 1281 C ASP A 85 6.193 -2.909 -15.282 1.00 73.14 C ATOM 1282 O ASP A 85 5.926 -2.532 -14.141 1.00 44.20 O ATOM 1283 CB ASP A 85 3.727 -3.000 -15.700 1.00 65.53 C ATOM 1284 CG ASP A 85 3.329 -1.588 -16.081 1.00 63.14 C ATOM 1285 OD1 ASP A 85 4.226 -0.793 -16.432 1.00 41.42 O ATOM 1286 OD2 ASP A 85 2.121 -1.278 -16.030 1.00 32.54 O ATOM 0 H ASP A 85 5.475 -5.353 -15.620 1.00 2.34 H new ATOM 0 HA ASP A 85 5.259 -2.899 -17.205 1.00 54.21 H new ATOM 0 HB2 ASP A 85 2.983 -3.699 -16.081 1.00 65.53 H new ATOM 0 HB3 ASP A 85 3.727 -3.094 -14.614 1.00 65.53 H new ATOM 1291 N PRO A 86 7.448 -2.928 -15.754 1.00 50.45 N ATOM 1292 CA PRO A 86 8.601 -2.501 -14.955 1.00 74.24 C ATOM 1293 C PRO A 86 8.611 -0.996 -14.710 1.00 31.32 C ATOM 1294 O PRO A 86 7.866 -0.237 -15.329 1.00 54.21 O ATOM 1295 CB PRO A 86 9.799 -2.911 -15.815 1.00 2.01 C ATOM 1296 CG PRO A 86 9.275 -2.934 -17.209 1.00 43.43 C ATOM 1297 CD PRO A 86 7.839 -3.366 -17.105 1.00 12.31 C ATOM 0 HA PRO A 86 8.598 -2.950 -13.962 1.00 74.24 H new ATOM 0 HB2 PRO A 86 10.621 -2.202 -15.713 1.00 2.01 H new ATOM 0 HB3 PRO A 86 10.182 -3.888 -15.520 1.00 2.01 H new ATOM 0 HG2 PRO A 86 9.354 -1.950 -17.672 1.00 43.43 H new ATOM 0 HG3 PRO A 86 9.846 -3.625 -17.829 1.00 43.43 H new ATOM 0 HD2 PRO A 86 7.222 -2.899 -17.873 1.00 12.31 H new ATOM 0 HD3 PRO A 86 7.734 -4.444 -17.224 1.00 12.31 H new ATOM 1305 N PRO A 87 9.475 -0.553 -13.785 1.00 43.31 N ATOM 1306 CA PRO A 87 9.604 0.866 -13.438 1.00 22.32 C ATOM 1307 C PRO A 87 10.235 1.682 -14.561 1.00 13.44 C ATOM 1308 O PRO A 87 10.706 1.130 -15.555 1.00 20.33 O ATOM 1309 CB PRO A 87 10.519 0.849 -12.210 1.00 73.44 C ATOM 1310 CG PRO A 87 11.307 -0.409 -12.342 1.00 54.25 C ATOM 1311 CD PRO A 87 10.394 -1.401 -13.008 1.00 32.53 C ATOM 0 HA PRO A 87 8.635 1.332 -13.258 1.00 22.32 H new ATOM 0 HB2 PRO A 87 11.170 1.723 -12.189 1.00 73.44 H new ATOM 0 HB3 PRO A 87 9.941 0.859 -11.286 1.00 73.44 H new ATOM 0 HG2 PRO A 87 12.206 -0.246 -12.936 1.00 54.25 H new ATOM 0 HG3 PRO A 87 11.631 -0.771 -11.366 1.00 54.25 H new ATOM 0 HD2 PRO A 87 10.946 -2.087 -13.650 1.00 32.53 H new ATOM 0 HD3 PRO A 87 9.859 -2.008 -12.277 1.00 32.53 H new ATOM 1319 N PHE A 88 10.241 3.001 -14.395 1.00 55.05 N ATOM 1320 CA PHE A 88 10.812 3.894 -15.396 1.00 42.34 C ATOM 1321 C PHE A 88 12.328 3.733 -15.467 1.00 72.22 C ATOM 1322 O PHE A 88 13.014 3.754 -14.446 1.00 72.12 O ATOM 1323 CB PHE A 88 10.457 5.348 -15.076 1.00 22.32 C ATOM 1324 CG PHE A 88 11.086 5.853 -13.808 1.00 74.35 C ATOM 1325 CD1 PHE A 88 10.459 5.667 -12.587 1.00 31.21 C ATOM 1326 CD2 PHE A 88 12.303 6.514 -13.839 1.00 31.11 C ATOM 1327 CE1 PHE A 88 11.035 6.130 -11.419 1.00 34.13 C ATOM 1328 CE2 PHE A 88 12.884 6.979 -12.674 1.00 74.21 C ATOM 1329 CZ PHE A 88 12.248 6.788 -11.463 1.00 21.33 C ATOM 0 H PHE A 88 9.857 3.474 -13.577 1.00 55.05 H new ATOM 0 HA PHE A 88 10.390 3.629 -16.365 1.00 42.34 H new ATOM 0 HB2 PHE A 88 10.771 5.981 -15.906 1.00 22.32 H new ATOM 0 HB3 PHE A 88 9.374 5.440 -14.997 1.00 22.32 H new ATOM 0 HD1 PHE A 88 9.509 5.154 -12.547 1.00 31.21 H new ATOM 0 HD2 PHE A 88 12.803 6.668 -14.784 1.00 31.11 H new ATOM 0 HE1 PHE A 88 10.537 5.977 -10.473 1.00 34.13 H new ATOM 0 HE2 PHE A 88 13.834 7.491 -12.711 1.00 74.21 H new ATOM 0 HZ PHE A 88 12.699 7.153 -10.552 1.00 21.33 H new ATOM 1339 N GLY A 89 12.844 3.571 -16.682 1.00 32.20 N ATOM 1340 CA GLY A 89 14.274 3.408 -16.865 1.00 22.03 C ATOM 1341 C GLY A 89 14.616 2.210 -17.728 1.00 72.21 C ATOM 1342 O GLY A 89 13.726 1.541 -18.254 1.00 32.14 O ATOM 0 H GLY A 89 12.297 3.550 -17.543 1.00 32.20 H new ATOM 0 HA2 GLY A 89 14.684 4.309 -17.321 1.00 22.03 H new ATOM 0 HA3 GLY A 89 14.751 3.298 -15.891 1.00 22.03 H new ATOM 1346 N ASP A 90 15.908 1.939 -17.877 1.00 33.25 N ATOM 1347 CA ASP A 90 16.365 0.814 -18.684 1.00 42.24 C ATOM 1348 C ASP A 90 16.650 -0.403 -17.810 1.00 4.32 C ATOM 1349 O ASP A 90 17.307 -0.295 -16.774 1.00 65.15 O ATOM 1350 CB ASP A 90 17.620 1.199 -19.469 1.00 3.40 C ATOM 1351 CG ASP A 90 18.783 1.555 -18.563 1.00 52.12 C ATOM 1352 OD1 ASP A 90 19.409 0.627 -18.009 1.00 1.30 O ATOM 1353 OD2 ASP A 90 19.067 2.761 -18.409 1.00 50.13 O ATOM 0 H ASP A 90 16.657 2.483 -17.449 1.00 33.25 H new ATOM 0 HA ASP A 90 15.571 0.556 -19.385 1.00 42.24 H new ATOM 0 HB2 ASP A 90 17.908 0.371 -20.117 1.00 3.40 H new ATOM 0 HB3 ASP A 90 17.395 2.047 -20.116 1.00 3.40 H new ATOM 1358 N SER A 91 16.151 -1.559 -18.233 1.00 70.50 N ATOM 1359 CA SER A 91 16.348 -2.796 -17.486 1.00 64.32 C ATOM 1360 C SER A 91 16.886 -3.899 -18.393 1.00 42.33 C ATOM 1361 O SER A 91 17.013 -3.715 -19.604 1.00 72.22 O ATOM 1362 CB SER A 91 15.034 -3.244 -16.844 1.00 61.51 C ATOM 1363 OG SER A 91 14.688 -2.409 -15.753 1.00 43.53 O ATOM 0 H SER A 91 15.607 -1.666 -19.089 1.00 70.50 H new ATOM 0 HA SER A 91 17.081 -2.605 -16.702 1.00 64.32 H new ATOM 0 HB2 SER A 91 14.237 -3.225 -17.588 1.00 61.51 H new ATOM 0 HB3 SER A 91 15.126 -4.275 -16.502 1.00 61.51 H new ATOM 0 HG SER A 91 13.844 -2.716 -15.361 1.00 43.53 H new ATOM 1369 N TYR A 92 17.201 -5.044 -17.799 1.00 3.02 N ATOM 1370 CA TYR A 92 17.730 -6.176 -18.551 1.00 52.41 C ATOM 1371 C TYR A 92 16.803 -7.383 -18.442 1.00 4.11 C ATOM 1372 O TYR A 92 16.744 -8.042 -17.403 1.00 44.14 O ATOM 1373 CB TYR A 92 19.126 -6.543 -18.046 1.00 42.03 C ATOM 1374 CG TYR A 92 20.231 -5.715 -18.664 1.00 35.03 C ATOM 1375 CD1 TYR A 92 20.811 -4.664 -17.965 1.00 11.35 C ATOM 1376 CD2 TYR A 92 20.693 -5.983 -19.946 1.00 71.11 C ATOM 1377 CE1 TYR A 92 21.820 -3.904 -18.525 1.00 14.13 C ATOM 1378 CE2 TYR A 92 21.702 -5.230 -20.514 1.00 1.34 C ATOM 1379 CZ TYR A 92 22.262 -4.191 -19.799 1.00 61.11 C ATOM 1380 OH TYR A 92 23.267 -3.437 -20.361 1.00 74.35 O ATOM 0 H TYR A 92 17.099 -5.213 -16.798 1.00 3.02 H new ATOM 0 HA TYR A 92 17.796 -5.885 -19.599 1.00 52.41 H new ATOM 0 HB2 TYR A 92 19.155 -6.422 -16.963 1.00 42.03 H new ATOM 0 HB3 TYR A 92 19.313 -7.596 -18.254 1.00 42.03 H new ATOM 0 HD1 TYR A 92 20.467 -4.437 -16.967 1.00 11.35 H new ATOM 0 HD2 TYR A 92 20.256 -6.794 -20.509 1.00 71.11 H new ATOM 0 HE1 TYR A 92 22.260 -3.090 -17.968 1.00 14.13 H new ATOM 0 HE2 TYR A 92 22.051 -5.453 -21.512 1.00 1.34 H new ATOM 0 HH TYR A 92 23.461 -3.770 -21.262 1.00 74.35 H new ATOM 1390 N ILE A 93 16.082 -7.666 -19.521 1.00 64.53 N ATOM 1391 CA ILE A 93 15.161 -8.796 -19.549 1.00 2.30 C ATOM 1392 C ILE A 93 15.915 -10.117 -19.652 1.00 33.52 C ATOM 1393 O ILE A 93 16.758 -10.297 -20.530 1.00 43.12 O ATOM 1394 CB ILE A 93 14.174 -8.688 -20.726 1.00 14.12 C ATOM 1395 CG1 ILE A 93 13.377 -7.385 -20.634 1.00 1.33 C ATOM 1396 CG2 ILE A 93 13.237 -9.887 -20.743 1.00 65.12 C ATOM 1397 CD1 ILE A 93 12.708 -6.992 -21.933 1.00 24.24 C ATOM 0 H ILE A 93 16.117 -7.129 -20.387 1.00 64.53 H new ATOM 0 HA ILE A 93 14.602 -8.771 -18.613 1.00 2.30 H new ATOM 0 HB ILE A 93 14.741 -8.681 -21.657 1.00 14.12 H new ATOM 0 HG12 ILE A 93 12.617 -7.488 -19.860 1.00 1.33 H new ATOM 0 HG13 ILE A 93 14.044 -6.582 -20.321 1.00 1.33 H new ATOM 0 HG21 ILE A 93 12.545 -9.796 -21.580 1.00 65.12 H new ATOM 0 HG22 ILE A 93 13.819 -10.802 -20.851 1.00 65.12 H new ATOM 0 HG23 ILE A 93 12.674 -9.922 -19.810 1.00 65.12 H new ATOM 0 HD11 ILE A 93 12.161 -6.059 -21.793 1.00 24.24 H new ATOM 0 HD12 ILE A 93 13.465 -6.857 -22.706 1.00 24.24 H new ATOM 0 HD13 ILE A 93 12.015 -7.776 -22.237 1.00 24.24 H new ATOM 1409 N VAL A 94 15.603 -11.042 -18.749 1.00 1.23 N ATOM 1410 CA VAL A 94 16.248 -12.349 -18.739 1.00 61.43 C ATOM 1411 C VAL A 94 15.228 -13.464 -18.531 1.00 45.44 C ATOM 1412 O VAL A 94 14.303 -13.330 -17.731 1.00 13.24 O ATOM 1413 CB VAL A 94 17.321 -12.438 -17.638 1.00 31.13 C ATOM 1414 CG1 VAL A 94 18.079 -13.753 -17.735 1.00 63.04 C ATOM 1415 CG2 VAL A 94 18.274 -11.256 -17.726 1.00 52.32 C ATOM 0 H VAL A 94 14.907 -10.910 -18.015 1.00 1.23 H new ATOM 0 HA VAL A 94 16.725 -12.473 -19.711 1.00 61.43 H new ATOM 0 HB VAL A 94 16.825 -12.404 -16.668 1.00 31.13 H new ATOM 0 HG11 VAL A 94 18.833 -13.797 -16.949 1.00 63.04 H new ATOM 0 HG12 VAL A 94 17.383 -14.584 -17.618 1.00 63.04 H new ATOM 0 HG13 VAL A 94 18.565 -13.822 -18.708 1.00 63.04 H new ATOM 0 HG21 VAL A 94 19.026 -11.335 -16.940 1.00 52.32 H new ATOM 0 HG22 VAL A 94 18.765 -11.256 -18.699 1.00 52.32 H new ATOM 0 HG23 VAL A 94 17.716 -10.328 -17.601 1.00 52.32 H new ATOM 1425 N ILE A 95 15.405 -14.563 -19.257 1.00 40.50 N ATOM 1426 CA ILE A 95 14.500 -15.700 -19.153 1.00 34.04 C ATOM 1427 C ILE A 95 15.239 -16.951 -18.690 1.00 2.31 C ATOM 1428 O ILE A 95 16.174 -17.410 -19.345 1.00 73.00 O ATOM 1429 CB ILE A 95 13.808 -15.994 -20.497 1.00 33.13 C ATOM 1430 CG1 ILE A 95 13.105 -14.739 -21.019 1.00 30.32 C ATOM 1431 CG2 ILE A 95 12.816 -17.138 -20.343 1.00 43.20 C ATOM 1432 CD1 ILE A 95 12.044 -14.207 -20.081 1.00 50.34 C ATOM 0 H ILE A 95 16.167 -14.690 -19.923 1.00 40.50 H new ATOM 0 HA ILE A 95 13.743 -15.434 -18.415 1.00 34.04 H new ATOM 0 HB ILE A 95 14.566 -16.291 -21.222 1.00 33.13 H new ATOM 0 HG12 ILE A 95 13.849 -13.961 -21.192 1.00 30.32 H new ATOM 0 HG13 ILE A 95 12.648 -14.963 -21.983 1.00 30.32 H new ATOM 0 HG21 ILE A 95 12.335 -17.334 -21.301 1.00 43.20 H new ATOM 0 HG22 ILE A 95 13.342 -18.033 -20.011 1.00 43.20 H new ATOM 0 HG23 ILE A 95 12.060 -16.867 -19.606 1.00 43.20 H new ATOM 0 HD11 ILE A 95 11.588 -13.317 -20.515 1.00 50.34 H new ATOM 0 HD12 ILE A 95 11.280 -14.969 -19.927 1.00 50.34 H new ATOM 0 HD13 ILE A 95 12.499 -13.951 -19.124 1.00 50.34 H new ATOM 1444 N GLY A 96 14.812 -17.499 -17.556 1.00 45.21 N ATOM 1445 CA GLY A 96 15.444 -18.693 -17.026 1.00 34.20 C ATOM 1446 C GLY A 96 16.925 -18.501 -16.768 1.00 51.44 C ATOM 1447 O GLY A 96 17.447 -17.394 -16.902 1.00 10.32 O ATOM 0 H GLY A 96 14.040 -17.138 -16.995 1.00 45.21 H new ATOM 0 HA2 GLY A 96 14.951 -18.979 -16.097 1.00 34.20 H new ATOM 0 HA3 GLY A 96 15.304 -19.516 -17.727 1.00 34.20 H new ATOM 1451 N VAL A 97 17.605 -19.581 -16.396 1.00 53.34 N ATOM 1452 CA VAL A 97 19.035 -19.526 -16.118 1.00 51.34 C ATOM 1453 C VAL A 97 19.782 -20.627 -16.862 1.00 41.12 C ATOM 1454 O VAL A 97 19.202 -21.650 -17.224 1.00 42.33 O ATOM 1455 CB VAL A 97 19.319 -19.656 -14.610 1.00 71.12 C ATOM 1456 CG1 VAL A 97 18.759 -18.460 -13.856 1.00 5.41 C ATOM 1457 CG2 VAL A 97 18.741 -20.955 -14.070 1.00 34.31 C ATOM 0 H VAL A 97 17.188 -20.505 -16.280 1.00 53.34 H new ATOM 0 HA VAL A 97 19.388 -18.554 -16.464 1.00 51.34 H new ATOM 0 HB VAL A 97 20.399 -19.675 -14.461 1.00 71.12 H new ATOM 0 HG11 VAL A 97 18.969 -18.570 -12.792 1.00 5.41 H new ATOM 0 HG12 VAL A 97 19.225 -17.546 -14.226 1.00 5.41 H new ATOM 0 HG13 VAL A 97 17.681 -18.406 -14.009 1.00 5.41 H new ATOM 0 HG21 VAL A 97 18.951 -21.031 -13.003 1.00 34.31 H new ATOM 0 HG22 VAL A 97 17.663 -20.968 -14.230 1.00 34.31 H new ATOM 0 HG23 VAL A 97 19.195 -21.799 -14.590 1.00 34.31 H new ATOM 1467 N GLY A 98 21.075 -20.410 -17.087 1.00 34.23 N ATOM 1468 CA GLY A 98 21.881 -21.393 -17.786 1.00 70.34 C ATOM 1469 C GLY A 98 23.066 -20.771 -18.498 1.00 53.22 C ATOM 1470 O GLY A 98 23.372 -19.596 -18.296 1.00 31.44 O ATOM 0 H GLY A 98 21.578 -19.571 -16.797 1.00 34.23 H new ATOM 0 HA2 GLY A 98 22.238 -22.137 -17.075 1.00 70.34 H new ATOM 0 HA3 GLY A 98 21.260 -21.918 -18.512 1.00 70.34 H new ATOM 1474 N GLU A 99 23.734 -21.560 -19.333 1.00 23.31 N ATOM 1475 CA GLU A 99 24.894 -21.079 -20.075 1.00 55.02 C ATOM 1476 C GLU A 99 24.462 -20.339 -21.338 1.00 10.21 C ATOM 1477 O GLU A 99 25.079 -19.350 -21.734 1.00 4.13 O ATOM 1478 CB GLU A 99 25.812 -22.246 -20.444 1.00 33.24 C ATOM 1479 CG GLU A 99 26.296 -23.042 -19.243 1.00 75.43 C ATOM 1480 CD GLU A 99 27.596 -22.509 -18.675 1.00 41.40 C ATOM 1481 OE1 GLU A 99 28.625 -22.583 -19.379 1.00 41.10 O ATOM 1482 OE2 GLU A 99 27.585 -22.017 -17.527 1.00 64.32 O ATOM 0 H GLU A 99 23.492 -22.535 -19.513 1.00 23.31 H new ATOM 0 HA GLU A 99 25.440 -20.385 -19.436 1.00 55.02 H new ATOM 0 HB2 GLU A 99 25.282 -22.914 -21.123 1.00 33.24 H new ATOM 0 HB3 GLU A 99 26.676 -21.861 -20.986 1.00 33.24 H new ATOM 0 HG2 GLU A 99 25.530 -23.024 -18.467 1.00 75.43 H new ATOM 0 HG3 GLU A 99 26.431 -24.084 -19.533 1.00 75.43 H new ATOM 1489 N LYS A 100 23.398 -20.825 -21.967 1.00 74.31 N ATOM 1490 CA LYS A 100 22.880 -20.210 -23.184 1.00 31.44 C ATOM 1491 C LYS A 100 21.742 -19.246 -22.864 1.00 42.11 C ATOM 1492 O LYS A 100 20.796 -19.106 -23.640 1.00 24.12 O ATOM 1493 CB LYS A 100 22.392 -21.287 -24.156 1.00 42.20 C ATOM 1494 CG LYS A 100 23.470 -22.279 -24.555 1.00 63.43 C ATOM 1495 CD LYS A 100 23.535 -23.451 -23.590 1.00 75.21 C ATOM 1496 CE LYS A 100 24.167 -24.673 -24.238 1.00 70.23 C ATOM 1497 NZ LYS A 100 23.167 -25.484 -24.986 1.00 71.25 N ATOM 0 H LYS A 100 22.877 -21.644 -21.654 1.00 74.31 H new ATOM 0 HA LYS A 100 23.689 -19.648 -23.650 1.00 31.44 H new ATOM 0 HB2 LYS A 100 21.563 -21.828 -23.700 1.00 42.20 H new ATOM 0 HB3 LYS A 100 22.003 -20.806 -25.053 1.00 42.20 H new ATOM 0 HG2 LYS A 100 23.273 -22.646 -25.562 1.00 63.43 H new ATOM 0 HG3 LYS A 100 24.436 -21.776 -24.583 1.00 63.43 H new ATOM 0 HD2 LYS A 100 24.110 -23.167 -22.709 1.00 75.21 H new ATOM 0 HD3 LYS A 100 22.530 -23.698 -23.248 1.00 75.21 H new ATOM 0 HE2 LYS A 100 24.958 -24.356 -24.917 1.00 70.23 H new ATOM 0 HE3 LYS A 100 24.634 -25.290 -23.471 1.00 70.23 H new ATOM 0 HZ1 LYS A 100 23.637 -26.308 -25.413 1.00 71.25 H new ATOM 0 HZ2 LYS A 100 22.425 -25.809 -24.333 1.00 71.25 H new ATOM 0 HZ3 LYS A 100 22.739 -24.903 -25.735 1.00 71.25 H new ATOM 1511 N LYS A 101 21.841 -18.581 -21.718 1.00 34.22 N ATOM 1512 CA LYS A 101 20.822 -17.627 -21.296 1.00 41.34 C ATOM 1513 C LYS A 101 20.542 -16.608 -22.397 1.00 61.40 C ATOM 1514 O LYS A 101 21.339 -16.445 -23.322 1.00 32.53 O ATOM 1515 CB LYS A 101 21.265 -16.906 -20.021 1.00 63.21 C ATOM 1516 CG LYS A 101 20.853 -17.620 -18.745 1.00 41.50 C ATOM 1517 CD LYS A 101 21.532 -17.018 -17.526 1.00 12.01 C ATOM 1518 CE LYS A 101 21.020 -15.615 -17.238 1.00 54.03 C ATOM 1519 NZ LYS A 101 21.249 -15.221 -15.821 1.00 12.52 N ATOM 0 H LYS A 101 22.617 -18.685 -21.064 1.00 34.22 H new ATOM 0 HA LYS A 101 19.905 -18.180 -21.093 1.00 41.34 H new ATOM 0 HB2 LYS A 101 22.350 -16.798 -20.033 1.00 63.21 H new ATOM 0 HB3 LYS A 101 20.844 -15.901 -20.017 1.00 63.21 H new ATOM 0 HG2 LYS A 101 19.771 -17.561 -18.627 1.00 41.50 H new ATOM 0 HG3 LYS A 101 21.108 -18.677 -18.820 1.00 41.50 H new ATOM 0 HD2 LYS A 101 21.357 -17.655 -16.659 1.00 12.01 H new ATOM 0 HD3 LYS A 101 22.610 -16.987 -17.687 1.00 12.01 H new ATOM 0 HE2 LYS A 101 21.518 -14.904 -17.898 1.00 54.03 H new ATOM 0 HE3 LYS A 101 19.954 -15.564 -17.461 1.00 54.03 H new ATOM 0 HZ1 LYS A 101 20.886 -14.259 -15.665 1.00 12.52 H new ATOM 0 HZ2 LYS A 101 20.753 -15.884 -15.192 1.00 12.52 H new ATOM 0 HZ3 LYS A 101 22.268 -15.244 -15.615 1.00 12.52 H new ATOM 1533 N ILE A 102 19.407 -15.925 -22.290 1.00 65.31 N ATOM 1534 CA ILE A 102 19.025 -14.922 -23.276 1.00 13.14 C ATOM 1535 C ILE A 102 18.805 -13.563 -22.620 1.00 10.14 C ATOM 1536 O ILE A 102 18.339 -13.477 -21.483 1.00 24.33 O ATOM 1537 CB ILE A 102 17.743 -15.330 -24.026 1.00 65.14 C ATOM 1538 CG1 ILE A 102 16.549 -15.344 -23.071 1.00 32.54 C ATOM 1539 CG2 ILE A 102 17.923 -16.693 -24.679 1.00 3.23 C ATOM 1540 CD1 ILE A 102 15.242 -15.707 -23.742 1.00 25.15 C ATOM 0 H ILE A 102 18.737 -16.048 -21.531 1.00 65.31 H new ATOM 0 HA ILE A 102 19.847 -14.851 -23.989 1.00 13.14 H new ATOM 0 HB ILE A 102 17.548 -14.596 -24.808 1.00 65.14 H new ATOM 0 HG12 ILE A 102 16.745 -16.054 -22.268 1.00 32.54 H new ATOM 0 HG13 ILE A 102 16.451 -14.361 -22.611 1.00 32.54 H new ATOM 0 HG21 ILE A 102 17.009 -16.968 -25.205 1.00 3.23 H new ATOM 0 HG22 ILE A 102 18.751 -16.651 -25.387 1.00 3.23 H new ATOM 0 HG23 ILE A 102 18.139 -17.438 -23.913 1.00 3.23 H new ATOM 0 HD11 ILE A 102 14.439 -15.697 -23.005 1.00 25.15 H new ATOM 0 HD12 ILE A 102 15.023 -14.983 -24.527 1.00 25.15 H new ATOM 0 HD13 ILE A 102 15.321 -16.703 -24.179 1.00 25.15 H new ATOM 1552 N THR A 103 19.142 -12.500 -23.345 1.00 34.55 N ATOM 1553 CA THR A 103 18.981 -11.145 -22.834 1.00 53.12 C ATOM 1554 C THR A 103 18.515 -10.196 -23.932 1.00 42.43 C ATOM 1555 O THR A 103 18.631 -10.500 -25.120 1.00 43.50 O ATOM 1556 CB THR A 103 20.295 -10.611 -22.233 1.00 34.30 C ATOM 1557 OG1 THR A 103 21.400 -10.984 -23.063 1.00 62.12 O ATOM 1558 CG2 THR A 103 20.505 -11.152 -20.827 1.00 1.24 C ATOM 0 H THR A 103 19.528 -12.552 -24.288 1.00 34.55 H new ATOM 0 HA THR A 103 18.224 -11.190 -22.051 1.00 53.12 H new ATOM 0 HB THR A 103 20.231 -9.524 -22.182 1.00 34.30 H new ATOM 0 HG1 THR A 103 22.231 -10.639 -22.675 1.00 62.12 H new ATOM 0 HG21 THR A 103 21.439 -10.762 -20.423 1.00 1.24 H new ATOM 0 HG22 THR A 103 19.676 -10.842 -20.190 1.00 1.24 H new ATOM 0 HG23 THR A 103 20.551 -12.241 -20.859 1.00 1.24 H new ATOM 1566 N HIS A 104 17.988 -9.044 -23.529 1.00 2.15 N ATOM 1567 CA HIS A 104 17.506 -8.049 -24.480 1.00 12.24 C ATOM 1568 C HIS A 104 17.483 -6.660 -23.848 1.00 72.11 C ATOM 1569 O HIS A 104 16.800 -6.433 -22.849 1.00 0.42 O ATOM 1570 CB HIS A 104 16.107 -8.420 -24.974 1.00 24.54 C ATOM 1571 CG HIS A 104 15.584 -7.503 -26.036 1.00 31.34 C ATOM 1572 ND1 HIS A 104 15.878 -7.657 -27.374 1.00 54.41 N ATOM 1573 CD2 HIS A 104 14.780 -6.418 -25.950 1.00 52.23 C ATOM 1574 CE1 HIS A 104 15.278 -6.704 -28.066 1.00 61.20 C ATOM 1575 NE2 HIS A 104 14.605 -5.939 -27.226 1.00 30.35 N ATOM 0 H HIS A 104 17.884 -8.777 -22.550 1.00 2.15 H new ATOM 0 HA HIS A 104 18.190 -8.032 -25.328 1.00 12.24 H new ATOM 0 HB2 HIS A 104 16.126 -9.438 -25.362 1.00 24.54 H new ATOM 0 HB3 HIS A 104 15.419 -8.414 -24.129 1.00 24.54 H new ATOM 0 HD2 HIS A 104 14.355 -6.005 -25.047 1.00 52.23 H new ATOM 0 HE1 HIS A 104 15.329 -6.573 -29.137 1.00 61.20 H new ATOM 0 HE2 HIS A 104 14.046 -5.125 -27.483 1.00 30.35 H new ATOM 1583 N HIS A 105 18.234 -5.735 -24.437 1.00 52.21 N ATOM 1584 CA HIS A 105 18.299 -4.368 -23.932 1.00 22.01 C ATOM 1585 C HIS A 105 16.913 -3.730 -23.910 1.00 64.01 C ATOM 1586 O HIS A 105 16.137 -3.878 -24.853 1.00 74.35 O ATOM 1587 CB HIS A 105 19.246 -3.529 -24.791 1.00 21.34 C ATOM 1588 CG HIS A 105 18.847 -3.464 -26.233 1.00 4.32 C ATOM 1589 ND1 HIS A 105 19.240 -4.401 -27.165 1.00 53.45 N ATOM 1590 CD2 HIS A 105 18.085 -2.567 -26.901 1.00 11.44 C ATOM 1591 CE1 HIS A 105 18.737 -4.082 -28.345 1.00 4.41 C ATOM 1592 NE2 HIS A 105 18.032 -2.973 -28.211 1.00 41.23 N ATOM 0 H HIS A 105 18.806 -5.907 -25.264 1.00 52.21 H new ATOM 0 HA HIS A 105 18.680 -4.402 -22.911 1.00 22.01 H new ATOM 0 HB2 HIS A 105 19.288 -2.517 -24.388 1.00 21.34 H new ATOM 0 HB3 HIS A 105 20.252 -3.943 -24.719 1.00 21.34 H new ATOM 0 HD2 HIS A 105 17.607 -1.694 -26.481 1.00 11.44 H new ATOM 0 HE1 HIS A 105 18.878 -4.634 -29.262 1.00 4.41 H new ATOM 0 HE2 HIS A 105 17.530 -2.496 -28.960 1.00 41.23 H new ATOM 1600 N TRP A 106 16.611 -3.022 -22.828 1.00 51.54 N ATOM 1601 CA TRP A 106 15.318 -2.363 -22.683 1.00 53.24 C ATOM 1602 C TRP A 106 15.487 -0.939 -22.166 1.00 1.24 C ATOM 1603 O TRP A 106 16.165 -0.709 -21.163 1.00 52.35 O ATOM 1604 CB TRP A 106 14.420 -3.160 -21.736 1.00 13.22 C ATOM 1605 CG TRP A 106 13.128 -2.468 -21.420 1.00 21.55 C ATOM 1606 CD1 TRP A 106 12.595 -2.255 -20.181 1.00 34.24 C ATOM 1607 CD2 TRP A 106 12.207 -1.902 -22.358 1.00 41.01 C ATOM 1608 NE1 TRP A 106 11.397 -1.590 -20.292 1.00 63.24 N ATOM 1609 CE2 TRP A 106 11.138 -1.361 -21.618 1.00 33.13 C ATOM 1610 CE3 TRP A 106 12.183 -1.797 -23.751 1.00 73.13 C ATOM 1611 CZ2 TRP A 106 10.057 -0.727 -22.226 1.00 24.23 C ATOM 1612 CZ3 TRP A 106 11.110 -1.168 -24.353 1.00 54.02 C ATOM 1613 CH2 TRP A 106 10.059 -0.639 -23.591 1.00 44.12 C ATOM 0 H TRP A 106 17.243 -2.889 -22.039 1.00 51.54 H new ATOM 0 HA TRP A 106 14.849 -2.319 -23.666 1.00 53.24 H new ATOM 0 HB2 TRP A 106 14.204 -4.131 -22.182 1.00 13.22 H new ATOM 0 HB3 TRP A 106 14.959 -3.349 -20.808 1.00 13.22 H new ATOM 0 HD1 TRP A 106 13.048 -2.564 -19.250 1.00 34.24 H new ATOM 0 HE1 TRP A 106 10.798 -1.312 -19.514 1.00 63.24 H new ATOM 0 HE3 TRP A 106 12.989 -2.200 -24.347 1.00 73.13 H new ATOM 0 HZ2 TRP A 106 9.246 -0.319 -21.641 1.00 24.23 H new ATOM 0 HZ3 TRP A 106 11.081 -1.082 -25.429 1.00 54.02 H new ATOM 0 HH2 TRP A 106 9.235 -0.152 -24.091 1.00 44.12 H new ATOM 1624 N HIS A 107 14.867 0.014 -22.854 1.00 43.52 N ATOM 1625 CA HIS A 107 14.950 1.417 -22.462 1.00 54.04 C ATOM 1626 C HIS A 107 13.633 2.137 -22.741 1.00 25.03 C ATOM 1627 O HIS A 107 12.965 1.865 -23.738 1.00 71.00 O ATOM 1628 CB HIS A 107 16.091 2.110 -23.207 1.00 11.30 C ATOM 1629 CG HIS A 107 15.889 2.171 -24.690 1.00 22.22 C ATOM 1630 ND1 HIS A 107 16.010 3.335 -25.419 1.00 15.12 N ATOM 1631 CD2 HIS A 107 15.575 1.202 -25.581 1.00 22.51 C ATOM 1632 CE1 HIS A 107 15.777 3.080 -26.694 1.00 34.32 C ATOM 1633 NE2 HIS A 107 15.511 1.792 -26.819 1.00 70.10 N ATOM 0 H HIS A 107 14.302 -0.159 -23.685 1.00 43.52 H new ATOM 0 HA HIS A 107 15.148 1.459 -21.391 1.00 54.04 H new ATOM 0 HB2 HIS A 107 16.202 3.124 -22.822 1.00 11.30 H new ATOM 0 HB3 HIS A 107 17.023 1.585 -22.997 1.00 11.30 H new ATOM 0 HD2 HIS A 107 15.406 0.159 -25.359 1.00 22.51 H new ATOM 0 HE1 HIS A 107 15.800 3.801 -27.497 1.00 34.32 H new ATOM 0 HE2 HIS A 107 15.293 1.314 -27.693 1.00 70.10 H new ATOM 1641 N ARG A 108 13.268 3.055 -21.852 1.00 54.34 N ATOM 1642 CA ARG A 108 12.031 3.813 -22.002 1.00 30.11 C ATOM 1643 C ARG A 108 12.259 5.065 -22.844 1.00 12.03 C ATOM 1644 O ARG A 108 13.369 5.594 -22.899 1.00 52.32 O ATOM 1645 CB ARG A 108 11.477 4.201 -20.630 1.00 11.50 C ATOM 1646 CG ARG A 108 12.410 5.092 -19.826 1.00 64.21 C ATOM 1647 CD ARG A 108 11.637 6.011 -18.893 1.00 64.21 C ATOM 1648 NE ARG A 108 12.351 7.259 -18.639 1.00 44.20 N ATOM 1649 CZ ARG A 108 11.793 8.322 -18.071 1.00 5.40 C ATOM 1650 NH1 ARG A 108 10.521 8.289 -17.699 1.00 62.44 N ATOM 1651 NH2 ARG A 108 12.509 9.422 -17.873 1.00 53.40 N ATOM 0 H ARG A 108 13.810 3.292 -21.021 1.00 54.34 H new ATOM 0 HA ARG A 108 11.306 3.180 -22.513 1.00 30.11 H new ATOM 0 HB2 ARG A 108 10.525 4.714 -20.764 1.00 11.50 H new ATOM 0 HB3 ARG A 108 11.273 3.294 -20.060 1.00 11.50 H new ATOM 0 HG2 ARG A 108 13.094 4.474 -19.245 1.00 64.21 H new ATOM 0 HG3 ARG A 108 13.019 5.689 -20.505 1.00 64.21 H new ATOM 0 HD2 ARG A 108 10.663 6.233 -19.328 1.00 64.21 H new ATOM 0 HD3 ARG A 108 11.455 5.499 -17.948 1.00 64.21 H new ATOM 0 HE ARG A 108 13.332 7.318 -18.913 1.00 44.20 H new ATOM 0 HH11 ARG A 108 9.968 7.445 -17.849 1.00 62.44 H new ATOM 0 HH12 ARG A 108 10.096 9.107 -17.263 1.00 62.44 H new ATOM 0 HH21 ARG A 108 13.488 9.451 -18.157 1.00 53.40 H new ATOM 0 HH22 ARG A 108 12.080 10.238 -17.437 1.00 53.40 H new