USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 45 THR OG1 : rot -77:sc= 1.25 USER MOD Set 1.2: A 60 SER OG : rot 177:sc= 1.01 USER MOD Set 2.1: A 22 SER OG : rot -110:sc= -0.125 USER MOD Set 2.2: A 49 LYS NZ :NH3+ -171:sc= 0.00473 (180deg=-0.126) USER MOD Set 2.3: A 56 MET CE :methyl 161:sc= -0.199 (180deg=-0.675) USER MOD Set 3.1: A 32 ASN : amide:sc= 0.0718 X(o=0.077,f=0.2) USER MOD Set 3.2: A 36 SER OG : rot 180:sc= 0.00511 USER MOD Single : A 20 LYS NZ :NH3+ -175:sc=-0.000744 (180deg=-0.051) USER MOD Single : A 31 GLN : amide:sc= 0.874 K(o=0.87,f=-0.49) USER MOD Single : A 38 SER OG : rot 140:sc= 0.0814 USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.0656 (180deg=-0.401) USER MOD Single : A 46 TYR OH : rot 50:sc= -0.0397 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.793 K(o=-0.79,f=-2.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= 2.34 (180deg=0.873) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.465 K(o=-0.47,f=-1.1) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.48 F(o=-2.7!,f=-1.5) USER MOD Single : A 99 TYR OH : rot 150:sc= 1.02 USER MOD Single : A 101 LYS NZ :NH3+ -160:sc= -0.354 (180deg=-1.71!) USER MOD Single : A 108 THR OG1 : rot -48:sc= 0.23 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -13.397 -0.839 -3.590 1.00 75.31 N ATOM 282 CA LEU A 19 -12.369 -1.060 -2.564 1.00 43.33 C ATOM 283 C LEU A 19 -12.635 -0.245 -1.288 1.00 44.21 C ATOM 284 O LEU A 19 -13.185 0.855 -1.334 1.00 15.42 O ATOM 285 CB LEU A 19 -10.981 -0.718 -3.123 1.00 60.11 C ATOM 286 CG LEU A 19 -10.586 -1.475 -4.403 1.00 32.22 C ATOM 287 CD1 LEU A 19 -9.172 -1.107 -4.835 1.00 21.13 C ATOM 288 CD2 LEU A 19 -10.713 -2.983 -4.200 1.00 45.32 C ATOM 0 HA LEU A 19 -12.406 -2.115 -2.292 1.00 43.33 H new ATOM 0 HB2 LEU A 19 -10.942 0.352 -3.326 1.00 60.11 H new ATOM 0 HB3 LEU A 19 -10.236 -0.923 -2.354 1.00 60.11 H new ATOM 0 HG LEU A 19 -11.271 -1.179 -5.197 1.00 32.22 H new ATOM 0 HD11 LEU A 19 -8.915 -1.654 -5.742 1.00 21.13 H new ATOM 0 HD12 LEU A 19 -9.118 -0.036 -5.030 1.00 21.13 H new ATOM 0 HD13 LEU A 19 -8.470 -1.367 -4.043 1.00 21.13 H new ATOM 0 HD21 LEU A 19 -10.429 -3.499 -5.117 1.00 45.32 H new ATOM 0 HD22 LEU A 19 -10.057 -3.297 -3.389 1.00 45.32 H new ATOM 0 HD23 LEU A 19 -11.744 -3.231 -3.949 1.00 45.32 H new ATOM 300 N LYS A 20 -12.242 -0.804 -0.146 1.00 43.44 N ATOM 301 CA LYS A 20 -12.403 -0.136 1.150 1.00 45.12 C ATOM 302 C LYS A 20 -11.060 -0.009 1.888 1.00 51.32 C ATOM 303 O LYS A 20 -10.396 -1.014 2.162 1.00 22.54 O ATOM 304 CB LYS A 20 -13.396 -0.913 2.026 1.00 55.31 C ATOM 305 CG LYS A 20 -14.804 -1.006 1.445 1.00 43.34 C ATOM 306 CD LYS A 20 -15.400 0.374 1.193 1.00 51.41 C ATOM 307 CE LYS A 20 -16.859 0.296 0.772 1.00 33.42 C ATOM 308 NZ LYS A 20 -17.049 -0.510 -0.462 1.00 41.21 N ATOM 0 H LYS A 20 -11.806 -1.724 -0.089 1.00 43.44 H new ATOM 0 HA LYS A 20 -12.787 0.866 0.960 1.00 45.12 H new ATOM 0 HB2 LYS A 20 -13.013 -1.921 2.183 1.00 55.31 H new ATOM 0 HB3 LYS A 20 -13.450 -0.436 3.005 1.00 55.31 H new ATOM 0 HG2 LYS A 20 -14.776 -1.567 0.511 1.00 43.34 H new ATOM 0 HG3 LYS A 20 -15.445 -1.560 2.131 1.00 43.34 H new ATOM 0 HD2 LYS A 20 -15.315 0.976 2.098 1.00 51.41 H new ATOM 0 HD3 LYS A 20 -14.826 0.881 0.418 1.00 51.41 H new ATOM 0 HE2 LYS A 20 -17.445 -0.139 1.581 1.00 33.42 H new ATOM 0 HE3 LYS A 20 -17.241 1.303 0.608 1.00 33.42 H new ATOM 0 HZ1 LYS A 20 -18.045 -0.464 -0.757 1.00 41.21 H new ATOM 0 HZ2 LYS A 20 -16.446 -0.132 -1.220 1.00 41.21 H new ATOM 0 HZ3 LYS A 20 -16.789 -1.499 -0.274 1.00 41.21 H new ATOM 322 N PHE A 21 -10.670 1.226 2.211 1.00 11.24 N ATOM 323 CA PHE A 21 -9.451 1.478 2.989 1.00 74.20 C ATOM 324 C PHE A 21 -9.603 0.940 4.421 1.00 63.31 C ATOM 325 O PHE A 21 -10.266 1.550 5.255 1.00 10.42 O ATOM 326 CB PHE A 21 -9.138 2.983 3.017 1.00 54.42 C ATOM 327 CG PHE A 21 -7.885 3.328 3.788 1.00 25.22 C ATOM 328 CD1 PHE A 21 -6.635 3.186 3.202 1.00 23.25 C ATOM 329 CD2 PHE A 21 -7.959 3.788 5.096 1.00 53.43 C ATOM 330 CE1 PHE A 21 -5.487 3.496 3.905 1.00 51.12 C ATOM 331 CE2 PHE A 21 -6.813 4.099 5.801 1.00 3.25 C ATOM 332 CZ PHE A 21 -5.576 3.952 5.206 1.00 40.33 C ATOM 0 H PHE A 21 -11.180 2.069 1.946 1.00 11.24 H new ATOM 0 HA PHE A 21 -8.623 0.956 2.510 1.00 74.20 H new ATOM 0 HB2 PHE A 21 -9.035 3.343 1.993 1.00 54.42 H new ATOM 0 HB3 PHE A 21 -9.983 3.513 3.458 1.00 54.42 H new ATOM 0 HD1 PHE A 21 -6.559 2.829 2.185 1.00 23.25 H new ATOM 0 HD2 PHE A 21 -8.924 3.904 5.567 1.00 53.43 H new ATOM 0 HE1 PHE A 21 -4.520 3.382 3.438 1.00 51.12 H new ATOM 0 HE2 PHE A 21 -6.884 4.457 6.817 1.00 3.25 H new ATOM 0 HZ PHE A 21 -4.679 4.193 5.757 1.00 40.33 H new ATOM 342 N SER A 22 -9.004 -0.217 4.692 1.00 34.52 N ATOM 343 CA SER A 22 -9.161 -0.881 5.996 1.00 51.44 C ATOM 344 C SER A 22 -8.092 -0.429 7.004 1.00 23.03 C ATOM 345 O SER A 22 -8.415 0.155 8.041 1.00 60.21 O ATOM 346 CB SER A 22 -9.101 -2.407 5.815 1.00 33.14 C ATOM 347 OG SER A 22 -9.428 -3.099 7.010 1.00 12.53 O ATOM 0 H SER A 22 -8.407 -0.717 4.034 1.00 34.52 H new ATOM 0 HA SER A 22 -10.133 -0.595 6.398 1.00 51.44 H new ATOM 0 HB2 SER A 22 -9.789 -2.705 5.024 1.00 33.14 H new ATOM 0 HB3 SER A 22 -8.100 -2.694 5.492 1.00 33.14 H new ATOM 0 HG SER A 22 -8.624 -3.530 7.369 1.00 12.53 H new ATOM 353 N ALA A 23 -6.824 -0.719 6.711 1.00 62.03 N ATOM 354 CA ALA A 23 -5.715 -0.323 7.595 1.00 1.23 C ATOM 355 C ALA A 23 -4.361 -0.316 6.865 1.00 42.12 C ATOM 356 O ALA A 23 -4.285 -0.580 5.666 1.00 62.11 O ATOM 357 CB ALA A 23 -5.649 -1.246 8.808 1.00 60.13 C ATOM 0 H ALA A 23 -6.535 -1.224 5.873 1.00 62.03 H new ATOM 0 HA ALA A 23 -5.915 0.697 7.923 1.00 1.23 H new ATOM 0 HB1 ALA A 23 -4.825 -0.941 9.453 1.00 60.13 H new ATOM 0 HB2 ALA A 23 -6.585 -1.185 9.363 1.00 60.13 H new ATOM 0 HB3 ALA A 23 -5.490 -2.272 8.476 1.00 60.13 H new ATOM 363 N LEU A 24 -3.294 0.002 7.599 1.00 1.13 N ATOM 364 CA LEU A 24 -1.928 -0.061 7.062 1.00 44.34 C ATOM 365 C LEU A 24 -1.315 -1.457 7.282 1.00 41.11 C ATOM 366 O LEU A 24 -1.140 -1.900 8.418 1.00 43.31 O ATOM 367 CB LEU A 24 -1.053 1.014 7.731 1.00 20.32 C ATOM 368 CG LEU A 24 0.422 1.048 7.289 1.00 62.15 C ATOM 369 CD1 LEU A 24 0.547 1.373 5.802 1.00 25.34 C ATOM 370 CD2 LEU A 24 1.212 2.051 8.129 1.00 61.24 C ATOM 0 H LEU A 24 -3.347 0.307 8.571 1.00 1.13 H new ATOM 0 HA LEU A 24 -1.970 0.127 5.989 1.00 44.34 H new ATOM 0 HB2 LEU A 24 -1.495 1.990 7.532 1.00 20.32 H new ATOM 0 HB3 LEU A 24 -1.086 0.863 8.810 1.00 20.32 H new ATOM 0 HG LEU A 24 0.843 0.055 7.450 1.00 62.15 H new ATOM 0 HD11 LEU A 24 1.600 1.390 5.520 1.00 25.34 H new ATOM 0 HD12 LEU A 24 0.027 0.613 5.219 1.00 25.34 H new ATOM 0 HD13 LEU A 24 0.103 2.349 5.604 1.00 25.34 H new ATOM 0 HD21 LEU A 24 2.252 2.061 7.802 1.00 61.24 H new ATOM 0 HD22 LEU A 24 0.784 3.046 8.006 1.00 61.24 H new ATOM 0 HD23 LEU A 24 1.165 1.763 9.179 1.00 61.24 H new ATOM 382 N ARG A 25 -0.987 -2.139 6.189 1.00 61.52 N ATOM 383 CA ARG A 25 -0.423 -3.496 6.243 1.00 62.24 C ATOM 384 C ARG A 25 1.051 -3.484 6.689 1.00 75.41 C ATOM 385 O ARG A 25 1.396 -4.005 7.750 1.00 13.33 O ATOM 386 CB ARG A 25 -0.553 -4.144 4.858 1.00 5.22 C ATOM 387 CG ARG A 25 0.136 -5.501 4.702 1.00 11.22 C ATOM 388 CD ARG A 25 -0.598 -6.629 5.422 1.00 2.23 C ATOM 389 NE ARG A 25 -0.260 -7.930 4.834 1.00 72.34 N ATOM 390 CZ ARG A 25 -1.109 -8.907 4.676 1.00 20.43 C ATOM 391 NH1 ARG A 25 -2.286 -8.849 5.213 1.00 30.01 N ATOM 392 NH2 ARG A 25 -0.766 -9.956 3.998 1.00 65.21 N ATOM 0 H ARG A 25 -1.101 -1.775 5.243 1.00 61.52 H new ATOM 0 HA ARG A 25 -0.979 -4.074 6.981 1.00 62.24 H new ATOM 0 HB2 ARG A 25 -1.612 -4.265 4.630 1.00 5.22 H new ATOM 0 HB3 ARG A 25 -0.143 -3.460 4.115 1.00 5.22 H new ATOM 0 HG2 ARG A 25 0.213 -5.743 3.642 1.00 11.22 H new ATOM 0 HG3 ARG A 25 1.153 -5.432 5.088 1.00 11.22 H new ATOM 0 HD2 ARG A 25 -0.334 -6.623 6.480 1.00 2.23 H new ATOM 0 HD3 ARG A 25 -1.674 -6.466 5.361 1.00 2.23 H new ATOM 0 HE ARG A 25 0.702 -8.080 4.529 1.00 72.34 H new ATOM 0 HH11 ARG A 25 -2.555 -8.034 5.765 1.00 30.01 H new ATOM 0 HH12 ARG A 25 -2.944 -9.618 5.084 1.00 30.01 H new ATOM 0 HH21 ARG A 25 0.166 -10.017 3.589 1.00 65.21 H new ATOM 0 HH22 ARG A 25 -1.428 -10.722 3.873 1.00 65.21 H new ATOM 406 N ARG A 26 1.911 -2.879 5.872 1.00 62.34 N ATOM 407 CA ARG A 26 3.354 -2.846 6.141 1.00 2.12 C ATOM 408 C ARG A 26 4.060 -1.790 5.276 1.00 50.44 C ATOM 409 O ARG A 26 3.774 -1.658 4.084 1.00 34.40 O ATOM 410 CB ARG A 26 3.985 -4.230 5.880 1.00 34.31 C ATOM 411 CG ARG A 26 5.514 -4.237 5.950 1.00 25.10 C ATOM 412 CD ARG A 26 6.110 -5.581 5.542 1.00 75.22 C ATOM 413 NE ARG A 26 5.843 -6.629 6.525 1.00 54.53 N ATOM 414 CZ ARG A 26 5.290 -7.781 6.247 1.00 3.51 C ATOM 415 NH1 ARG A 26 4.881 -8.043 5.046 1.00 32.35 N ATOM 416 NH2 ARG A 26 5.149 -8.675 7.172 1.00 4.41 N ATOM 0 H ARG A 26 1.635 -2.402 5.014 1.00 62.34 H new ATOM 0 HA ARG A 26 3.485 -2.580 7.190 1.00 2.12 H new ATOM 0 HB2 ARG A 26 3.594 -4.940 6.609 1.00 34.31 H new ATOM 0 HB3 ARG A 26 3.674 -4.580 4.896 1.00 34.31 H new ATOM 0 HG2 ARG A 26 5.908 -3.456 5.300 1.00 25.10 H new ATOM 0 HG3 ARG A 26 5.829 -3.996 6.965 1.00 25.10 H new ATOM 0 HD2 ARG A 26 5.701 -5.879 4.577 1.00 75.22 H new ATOM 0 HD3 ARG A 26 7.187 -5.474 5.412 1.00 75.22 H new ATOM 0 HE ARG A 26 6.106 -6.450 7.494 1.00 54.53 H new ATOM 0 HH11 ARG A 26 4.989 -7.348 4.307 1.00 32.35 H new ATOM 0 HH12 ARG A 26 4.451 -8.944 4.839 1.00 32.35 H new ATOM 0 HH21 ARG A 26 5.470 -8.482 8.121 1.00 4.41 H new ATOM 0 HH22 ARG A 26 4.717 -9.573 6.952 1.00 4.41 H new ATOM 430 N GLU A 27 4.972 -1.035 5.878 1.00 42.42 N ATOM 431 CA GLU A 27 5.814 -0.098 5.129 1.00 31.11 C ATOM 432 C GLU A 27 7.182 -0.730 4.837 1.00 62.34 C ATOM 433 O GLU A 27 8.046 -0.800 5.715 1.00 1.51 O ATOM 434 CB GLU A 27 5.985 1.212 5.911 1.00 23.42 C ATOM 435 CG GLU A 27 4.661 1.899 6.235 1.00 74.43 C ATOM 436 CD GLU A 27 4.842 3.237 6.935 1.00 41.13 C ATOM 437 OE1 GLU A 27 5.005 3.253 8.173 1.00 70.14 O ATOM 438 OE2 GLU A 27 4.813 4.278 6.252 1.00 22.13 O ATOM 0 H GLU A 27 5.150 -1.050 6.882 1.00 42.42 H new ATOM 0 HA GLU A 27 5.325 0.128 4.181 1.00 31.11 H new ATOM 0 HB2 GLU A 27 6.516 1.006 6.840 1.00 23.42 H new ATOM 0 HB3 GLU A 27 6.608 1.894 5.332 1.00 23.42 H new ATOM 0 HG2 GLU A 27 4.101 2.051 5.312 1.00 74.43 H new ATOM 0 HG3 GLU A 27 4.062 1.243 6.867 1.00 74.43 H new ATOM 445 N VAL A 28 7.368 -1.209 3.609 1.00 14.24 N ATOM 446 CA VAL A 28 8.618 -1.873 3.224 1.00 42.52 C ATOM 447 C VAL A 28 9.771 -0.862 3.091 1.00 1.24 C ATOM 448 O VAL A 28 9.906 -0.164 2.085 1.00 64.14 O ATOM 449 CB VAL A 28 8.460 -2.698 1.915 1.00 50.42 C ATOM 450 CG1 VAL A 28 7.547 -3.900 2.152 1.00 14.22 C ATOM 451 CG2 VAL A 28 7.921 -1.836 0.772 1.00 51.44 C ATOM 0 H VAL A 28 6.674 -1.152 2.864 1.00 14.24 H new ATOM 0 HA VAL A 28 8.864 -2.570 4.025 1.00 42.52 H new ATOM 0 HB VAL A 28 9.448 -3.056 1.624 1.00 50.42 H new ATOM 0 HG11 VAL A 28 7.446 -4.468 1.227 1.00 14.22 H new ATOM 0 HG12 VAL A 28 7.978 -4.538 2.924 1.00 14.22 H new ATOM 0 HG13 VAL A 28 6.565 -3.553 2.474 1.00 14.22 H new ATOM 0 HG21 VAL A 28 7.823 -2.444 -0.127 1.00 51.44 H new ATOM 0 HG22 VAL A 28 6.945 -1.435 1.047 1.00 51.44 H new ATOM 0 HG23 VAL A 28 8.610 -1.013 0.580 1.00 51.44 H new ATOM 461 N ARG A 29 10.587 -0.772 4.136 1.00 44.21 N ATOM 462 CA ARG A 29 11.684 0.197 4.181 1.00 41.21 C ATOM 463 C ARG A 29 12.975 -0.384 3.593 1.00 2.24 C ATOM 464 O ARG A 29 13.172 -1.601 3.566 1.00 63.45 O ATOM 465 CB ARG A 29 11.911 0.662 5.625 1.00 24.22 C ATOM 466 CG ARG A 29 10.640 1.174 6.289 1.00 33.11 C ATOM 467 CD ARG A 29 10.892 1.724 7.687 1.00 70.31 C ATOM 468 NE ARG A 29 9.636 2.040 8.370 1.00 22.02 N ATOM 469 CZ ARG A 29 9.083 3.227 8.394 1.00 22.10 C ATOM 470 NH1 ARG A 29 9.670 4.246 7.844 1.00 43.51 N ATOM 471 NH2 ARG A 29 7.942 3.401 8.976 1.00 35.54 N ATOM 0 H ARG A 29 10.512 -1.359 4.967 1.00 44.21 H new ATOM 0 HA ARG A 29 11.404 1.054 3.569 1.00 41.21 H new ATOM 0 HB2 ARG A 29 12.312 -0.166 6.209 1.00 24.22 H new ATOM 0 HB3 ARG A 29 12.663 1.451 5.633 1.00 24.22 H new ATOM 0 HG2 ARG A 29 10.199 1.955 5.669 1.00 33.11 H new ATOM 0 HG3 ARG A 29 9.913 0.364 6.346 1.00 33.11 H new ATOM 0 HD2 ARG A 29 11.452 0.994 8.271 1.00 70.31 H new ATOM 0 HD3 ARG A 29 11.508 2.621 7.621 1.00 70.31 H new ATOM 0 HE ARG A 29 9.159 1.284 8.861 1.00 22.02 H new ATOM 0 HH11 ARG A 29 10.573 4.128 7.386 1.00 43.51 H new ATOM 0 HH12 ARG A 29 9.228 5.165 7.870 1.00 43.51 H new ATOM 0 HH21 ARG A 29 7.470 2.613 9.418 1.00 35.54 H new ATOM 0 HH22 ARG A 29 7.514 4.327 8.993 1.00 35.54 H new ATOM 485 N ILE A 30 13.852 0.500 3.125 1.00 24.34 N ATOM 486 CA ILE A 30 15.108 0.091 2.497 1.00 53.43 C ATOM 487 C ILE A 30 16.068 -0.531 3.524 1.00 55.40 C ATOM 488 O ILE A 30 16.633 0.164 4.368 1.00 41.53 O ATOM 489 CB ILE A 30 15.793 1.298 1.808 1.00 3.31 C ATOM 490 CG1 ILE A 30 14.815 1.975 0.827 1.00 35.54 C ATOM 491 CG2 ILE A 30 17.069 0.858 1.087 1.00 71.34 C ATOM 492 CD1 ILE A 30 15.365 3.216 0.154 1.00 53.11 C ATOM 0 H ILE A 30 13.716 1.510 3.169 1.00 24.34 H new ATOM 0 HA ILE A 30 14.869 -0.662 1.746 1.00 53.43 H new ATOM 0 HB ILE A 30 16.073 2.022 2.573 1.00 3.31 H new ATOM 0 HG12 ILE A 30 14.532 1.255 0.059 1.00 35.54 H new ATOM 0 HG13 ILE A 30 13.905 2.241 1.365 1.00 35.54 H new ATOM 0 HG21 ILE A 30 17.534 1.721 0.610 1.00 71.34 H new ATOM 0 HG22 ILE A 30 17.763 0.424 1.807 1.00 71.34 H new ATOM 0 HG23 ILE A 30 16.821 0.115 0.329 1.00 71.34 H new ATOM 0 HD11 ILE A 30 14.613 3.629 -0.519 1.00 53.11 H new ATOM 0 HD12 ILE A 30 15.621 3.957 0.911 1.00 53.11 H new ATOM 0 HD13 ILE A 30 16.258 2.956 -0.415 1.00 53.11 H new ATOM 504 N GLN A 31 16.228 -1.850 3.462 1.00 71.21 N ATOM 505 CA GLN A 31 17.133 -2.560 4.369 1.00 11.32 C ATOM 506 C GLN A 31 18.570 -2.557 3.824 1.00 53.42 C ATOM 507 O GLN A 31 18.820 -2.991 2.694 1.00 73.11 O ATOM 508 CB GLN A 31 16.642 -4.001 4.584 1.00 25.45 C ATOM 509 CG GLN A 31 17.502 -4.811 5.551 1.00 21.14 C ATOM 510 CD GLN A 31 16.981 -6.225 5.762 1.00 42.11 C ATOM 511 OE1 GLN A 31 16.366 -6.814 4.880 1.00 31.43 O ATOM 512 NE2 GLN A 31 17.224 -6.781 6.931 1.00 54.34 N ATOM 0 H GLN A 31 15.744 -2.451 2.795 1.00 71.21 H new ATOM 0 HA GLN A 31 17.135 -2.042 5.328 1.00 11.32 H new ATOM 0 HB2 GLN A 31 15.619 -3.973 4.959 1.00 25.45 H new ATOM 0 HB3 GLN A 31 16.615 -4.512 3.622 1.00 25.45 H new ATOM 0 HG2 GLN A 31 18.522 -4.858 5.171 1.00 21.14 H new ATOM 0 HG3 GLN A 31 17.543 -4.297 6.511 1.00 21.14 H new ATOM 0 HE21 GLN A 31 17.739 -6.264 7.644 1.00 54.34 H new ATOM 0 HE22 GLN A 31 16.898 -7.728 7.123 1.00 54.34 H new ATOM 521 N ASN A 32 19.507 -2.055 4.630 1.00 20.11 N ATOM 522 CA ASN A 32 20.924 -1.993 4.248 1.00 65.00 C ATOM 523 C ASN A 32 21.538 -3.395 4.112 1.00 72.44 C ATOM 524 O ASN A 32 21.056 -4.357 4.713 1.00 20.03 O ATOM 525 CB ASN A 32 21.723 -1.195 5.290 1.00 21.41 C ATOM 526 CG ASN A 32 21.159 0.193 5.518 1.00 74.22 C ATOM 527 OD1 ASN A 32 21.474 1.131 4.793 1.00 21.55 O ATOM 528 ND2 ASN A 32 20.345 0.344 6.544 1.00 73.00 N ATOM 0 H ASN A 32 19.311 -1.682 5.559 1.00 20.11 H new ATOM 0 HA ASN A 32 20.975 -1.497 3.279 1.00 65.00 H new ATOM 0 HB2 ASN A 32 21.729 -1.740 6.234 1.00 21.41 H new ATOM 0 HB3 ASN A 32 22.760 -1.113 4.963 1.00 21.41 H new ATOM 0 HD21 ASN A 32 19.956 1.263 6.756 1.00 73.00 H new ATOM 0 HD22 ASN A 32 20.104 -0.458 7.126 1.00 73.00 H new ATOM 535 N GLU A 33 22.621 -3.493 3.344 1.00 23.22 N ATOM 536 CA GLU A 33 23.342 -4.761 3.164 1.00 11.11 C ATOM 537 C GLU A 33 23.915 -5.264 4.501 1.00 21.03 C ATOM 538 O GLU A 33 24.117 -6.463 4.695 1.00 73.25 O ATOM 539 CB GLU A 33 24.470 -4.581 2.136 1.00 11.33 C ATOM 540 CG GLU A 33 23.981 -4.078 0.781 1.00 41.44 C ATOM 541 CD GLU A 33 25.112 -3.850 -0.208 1.00 1.11 C ATOM 542 OE1 GLU A 33 25.724 -2.760 -0.177 1.00 53.24 O ATOM 543 OE2 GLU A 33 25.397 -4.757 -1.019 1.00 75.40 O ATOM 0 H GLU A 33 23.024 -2.708 2.832 1.00 23.22 H new ATOM 0 HA GLU A 33 22.638 -5.507 2.796 1.00 11.11 H new ATOM 0 HB2 GLU A 33 25.204 -3.879 2.532 1.00 11.33 H new ATOM 0 HB3 GLU A 33 24.982 -5.534 1.998 1.00 11.33 H new ATOM 0 HG2 GLU A 33 23.279 -4.800 0.363 1.00 41.44 H new ATOM 0 HG3 GLU A 33 23.434 -3.146 0.921 1.00 41.44 H new ATOM 550 N ASP A 34 24.162 -4.329 5.421 1.00 71.45 N ATOM 551 CA ASP A 34 24.621 -4.660 6.778 1.00 74.40 C ATOM 552 C ASP A 34 23.561 -5.471 7.555 1.00 20.13 C ATOM 553 O ASP A 34 23.855 -6.078 8.590 1.00 15.04 O ATOM 554 CB ASP A 34 24.941 -3.373 7.548 1.00 43.21 C ATOM 555 CG ASP A 34 25.929 -2.479 6.816 1.00 53.51 C ATOM 556 OD1 ASP A 34 27.142 -2.774 6.846 1.00 1.11 O ATOM 557 OD2 ASP A 34 25.498 -1.478 6.208 1.00 31.54 O ATOM 0 H ASP A 34 24.052 -3.329 5.252 1.00 71.45 H new ATOM 0 HA ASP A 34 25.518 -5.272 6.685 1.00 74.40 H new ATOM 0 HB2 ASP A 34 24.018 -2.820 7.722 1.00 43.21 H new ATOM 0 HB3 ASP A 34 25.347 -3.631 8.526 1.00 43.21 H new ATOM 562 N GLY A 35 22.325 -5.466 7.053 1.00 31.13 N ATOM 563 CA GLY A 35 21.225 -6.167 7.716 1.00 2.23 C ATOM 564 C GLY A 35 20.258 -5.220 8.422 1.00 42.45 C ATOM 565 O GLY A 35 19.123 -5.592 8.728 1.00 44.21 O ATOM 0 H GLY A 35 22.061 -4.986 6.192 1.00 31.13 H new ATOM 0 HA2 GLY A 35 20.678 -6.754 6.978 1.00 2.23 H new ATOM 0 HA3 GLY A 35 21.634 -6.869 8.443 1.00 2.23 H new ATOM 569 N SER A 36 20.705 -3.995 8.677 1.00 32.02 N ATOM 570 CA SER A 36 19.887 -2.992 9.376 1.00 22.21 C ATOM 571 C SER A 36 18.840 -2.363 8.450 1.00 45.11 C ATOM 572 O SER A 36 18.995 -2.351 7.231 1.00 70.43 O ATOM 573 CB SER A 36 20.777 -1.884 9.942 1.00 21.13 C ATOM 574 OG SER A 36 21.462 -1.204 8.903 1.00 13.42 O ATOM 0 H SER A 36 21.633 -3.665 8.411 1.00 32.02 H new ATOM 0 HA SER A 36 19.369 -3.508 10.184 1.00 22.21 H new ATOM 0 HB2 SER A 36 20.169 -1.176 10.506 1.00 21.13 H new ATOM 0 HB3 SER A 36 21.498 -2.312 10.639 1.00 21.13 H new ATOM 0 HG SER A 36 22.023 -0.499 9.288 1.00 13.42 H new ATOM 580 N VAL A 37 17.781 -1.818 9.038 1.00 34.02 N ATOM 581 CA VAL A 37 16.707 -1.188 8.268 1.00 71.43 C ATOM 582 C VAL A 37 16.819 0.344 8.305 1.00 55.12 C ATOM 583 O VAL A 37 17.055 0.933 9.360 1.00 64.02 O ATOM 584 CB VAL A 37 15.319 -1.615 8.810 1.00 70.43 C ATOM 585 CG1 VAL A 37 14.191 -1.054 7.943 1.00 73.54 C ATOM 586 CG2 VAL A 37 15.232 -3.138 8.910 1.00 71.54 C ATOM 0 H VAL A 37 17.640 -1.798 10.048 1.00 34.02 H new ATOM 0 HA VAL A 37 16.809 -1.522 7.236 1.00 71.43 H new ATOM 0 HB VAL A 37 15.200 -1.199 9.810 1.00 70.43 H new ATOM 0 HG11 VAL A 37 13.230 -1.370 8.348 1.00 73.54 H new ATOM 0 HG12 VAL A 37 14.243 0.035 7.939 1.00 73.54 H new ATOM 0 HG13 VAL A 37 14.296 -1.426 6.924 1.00 73.54 H new ATOM 0 HG21 VAL A 37 14.252 -3.422 9.292 1.00 71.54 H new ATOM 0 HG22 VAL A 37 15.378 -3.576 7.923 1.00 71.54 H new ATOM 0 HG23 VAL A 37 16.005 -3.503 9.587 1.00 71.54 H new ATOM 596 N SER A 38 16.662 0.981 7.147 1.00 62.12 N ATOM 597 CA SER A 38 16.719 2.449 7.058 1.00 23.30 C ATOM 598 C SER A 38 15.333 3.082 7.233 1.00 33.32 C ATOM 599 O SER A 38 14.310 2.444 6.976 1.00 20.24 O ATOM 600 CB SER A 38 17.305 2.877 5.705 1.00 22.12 C ATOM 601 OG SER A 38 17.266 4.289 5.544 1.00 33.40 O ATOM 0 H SER A 38 16.495 0.511 6.257 1.00 62.12 H new ATOM 0 HA SER A 38 17.361 2.799 7.867 1.00 23.30 H new ATOM 0 HB2 SER A 38 18.335 2.529 5.627 1.00 22.12 H new ATOM 0 HB3 SER A 38 16.746 2.402 4.899 1.00 22.12 H new ATOM 0 HG SER A 38 18.094 4.593 5.117 1.00 33.40 H new ATOM 607 N ASP A 39 15.307 4.342 7.674 1.00 75.24 N ATOM 608 CA ASP A 39 14.058 5.106 7.776 1.00 70.44 C ATOM 609 C ASP A 39 13.391 5.241 6.400 1.00 14.32 C ATOM 610 O ASP A 39 12.163 5.308 6.289 1.00 43.44 O ATOM 611 CB ASP A 39 14.338 6.499 8.356 1.00 3.14 C ATOM 612 CG ASP A 39 14.970 6.442 9.737 1.00 72.35 C ATOM 613 OD1 ASP A 39 16.190 6.173 9.827 1.00 13.41 O ATOM 614 OD2 ASP A 39 14.258 6.665 10.738 1.00 71.22 O ATOM 0 H ASP A 39 16.137 4.857 7.967 1.00 75.24 H new ATOM 0 HA ASP A 39 13.381 4.569 8.440 1.00 70.44 H new ATOM 0 HB2 ASP A 39 14.998 7.043 7.681 1.00 3.14 H new ATOM 0 HB3 ASP A 39 13.405 7.060 8.411 1.00 3.14 H new ATOM 619 N GLU A 40 14.225 5.267 5.357 1.00 72.20 N ATOM 620 CA GLU A 40 13.766 5.396 3.968 1.00 15.24 C ATOM 621 C GLU A 40 12.822 4.250 3.570 1.00 42.14 C ATOM 622 O GLU A 40 13.065 3.088 3.900 1.00 42.43 O ATOM 623 CB GLU A 40 14.978 5.417 3.027 1.00 54.54 C ATOM 624 CG GLU A 40 15.975 6.533 3.328 1.00 53.42 C ATOM 625 CD GLU A 40 17.270 6.389 2.545 1.00 0.05 C ATOM 626 OE1 GLU A 40 18.155 5.629 2.994 1.00 22.23 O ATOM 627 OE2 GLU A 40 17.412 7.028 1.481 1.00 71.14 O ATOM 0 H GLU A 40 15.238 5.199 5.450 1.00 72.20 H new ATOM 0 HA GLU A 40 13.210 6.330 3.884 1.00 15.24 H new ATOM 0 HB2 GLU A 40 15.491 4.458 3.090 1.00 54.54 H new ATOM 0 HB3 GLU A 40 14.627 5.524 2.001 1.00 54.54 H new ATOM 0 HG2 GLU A 40 15.519 7.495 3.094 1.00 53.42 H new ATOM 0 HG3 GLU A 40 16.199 6.537 4.395 1.00 53.42 H new ATOM 634 N ILE A 41 11.761 4.577 2.837 1.00 35.22 N ATOM 635 CA ILE A 41 10.740 3.592 2.466 1.00 32.12 C ATOM 636 C ILE A 41 10.678 3.372 0.945 1.00 62.52 C ATOM 637 O ILE A 41 10.759 4.321 0.164 1.00 11.44 O ATOM 638 CB ILE A 41 9.334 4.030 2.965 1.00 23.40 C ATOM 639 CG1 ILE A 41 9.366 4.338 4.471 1.00 71.25 C ATOM 640 CG2 ILE A 41 8.289 2.954 2.661 1.00 61.54 C ATOM 641 CD1 ILE A 41 8.045 4.827 5.025 1.00 73.41 C ATOM 0 H ILE A 41 11.583 5.518 2.486 1.00 35.22 H new ATOM 0 HA ILE A 41 11.027 2.656 2.945 1.00 32.12 H new ATOM 0 HB ILE A 41 9.053 4.939 2.432 1.00 23.40 H new ATOM 0 HG12 ILE A 41 9.664 3.438 5.010 1.00 71.25 H new ATOM 0 HG13 ILE A 41 10.130 5.092 4.662 1.00 71.25 H new ATOM 0 HG21 ILE A 41 7.313 3.283 3.019 1.00 61.54 H new ATOM 0 HG22 ILE A 41 8.243 2.786 1.585 1.00 61.54 H new ATOM 0 HG23 ILE A 41 8.566 2.026 3.162 1.00 61.54 H new ATOM 0 HD11 ILE A 41 8.148 5.023 6.092 1.00 73.41 H new ATOM 0 HD12 ILE A 41 7.754 5.745 4.514 1.00 73.41 H new ATOM 0 HD13 ILE A 41 7.281 4.066 4.868 1.00 73.41 H new ATOM 653 N LYS A 42 10.540 2.113 0.530 1.00 33.14 N ATOM 654 CA LYS A 42 10.292 1.783 -0.878 1.00 2.05 C ATOM 655 C LYS A 42 8.854 2.157 -1.265 1.00 60.22 C ATOM 656 O LYS A 42 8.619 2.946 -2.186 1.00 31.21 O ATOM 657 CB LYS A 42 10.525 0.281 -1.123 1.00 64.44 C ATOM 658 CG LYS A 42 11.987 -0.156 -1.036 1.00 72.13 C ATOM 659 CD LYS A 42 12.812 0.383 -2.203 1.00 23.31 C ATOM 660 CE LYS A 42 14.235 -0.163 -2.191 1.00 31.42 C ATOM 661 NZ LYS A 42 14.273 -1.651 -2.252 1.00 73.44 N ATOM 0 H LYS A 42 10.595 1.303 1.147 1.00 33.14 H new ATOM 0 HA LYS A 42 10.986 2.354 -1.495 1.00 2.05 H new ATOM 0 HB2 LYS A 42 9.945 -0.287 -0.396 1.00 64.44 H new ATOM 0 HB3 LYS A 42 10.140 0.023 -2.109 1.00 64.44 H new ATOM 0 HG2 LYS A 42 12.415 0.193 -0.097 1.00 72.13 H new ATOM 0 HG3 LYS A 42 12.041 -1.245 -1.025 1.00 72.13 H new ATOM 0 HD2 LYS A 42 12.329 0.117 -3.143 1.00 23.31 H new ATOM 0 HD3 LYS A 42 12.840 1.472 -2.156 1.00 23.31 H new ATOM 0 HE2 LYS A 42 14.786 0.247 -3.038 1.00 31.42 H new ATOM 0 HE3 LYS A 42 14.743 0.174 -1.287 1.00 31.42 H new ATOM 0 HZ1 LYS A 42 15.234 -1.964 -2.496 1.00 73.44 H new ATOM 0 HZ2 LYS A 42 14.005 -2.043 -1.327 1.00 73.44 H new ATOM 0 HZ3 LYS A 42 13.606 -1.986 -2.976 1.00 73.44 H new ATOM 675 N GLU A 43 7.898 1.590 -0.533 1.00 35.33 N ATOM 676 CA GLU A 43 6.478 1.856 -0.759 1.00 23.12 C ATOM 677 C GLU A 43 5.622 1.410 0.438 1.00 42.33 C ATOM 678 O GLU A 43 6.091 0.683 1.318 1.00 0.12 O ATOM 679 CB GLU A 43 6.015 1.175 -2.053 1.00 60.24 C ATOM 680 CG GLU A 43 6.301 -0.316 -2.124 1.00 23.14 C ATOM 681 CD GLU A 43 6.145 -0.855 -3.533 1.00 53.24 C ATOM 682 OE1 GLU A 43 4.998 -1.100 -3.960 1.00 2.51 O ATOM 683 OE2 GLU A 43 7.173 -1.026 -4.228 1.00 11.12 O ATOM 0 H GLU A 43 8.083 0.937 0.229 1.00 35.33 H new ATOM 0 HA GLU A 43 6.346 2.933 -0.864 1.00 23.12 H new ATOM 0 HB2 GLU A 43 4.942 1.331 -2.166 1.00 60.24 H new ATOM 0 HB3 GLU A 43 6.499 1.665 -2.898 1.00 60.24 H new ATOM 0 HG2 GLU A 43 7.314 -0.508 -1.772 1.00 23.14 H new ATOM 0 HG3 GLU A 43 5.625 -0.848 -1.455 1.00 23.14 H new ATOM 690 N ARG A 44 4.368 1.855 0.469 1.00 74.44 N ATOM 691 CA ARG A 44 3.496 1.642 1.631 1.00 25.54 C ATOM 692 C ARG A 44 2.310 0.718 1.286 1.00 62.54 C ATOM 693 O ARG A 44 1.486 1.048 0.432 1.00 64.12 O ATOM 694 CB ARG A 44 2.986 3.003 2.140 1.00 0.04 C ATOM 695 CG ARG A 44 4.042 4.109 2.064 1.00 22.42 C ATOM 696 CD ARG A 44 3.534 5.446 2.599 1.00 63.32 C ATOM 697 NE ARG A 44 3.563 5.500 4.059 1.00 33.52 N ATOM 698 CZ ARG A 44 3.235 6.545 4.767 1.00 32.55 C ATOM 699 NH1 ARG A 44 2.823 7.631 4.196 1.00 14.41 N ATOM 700 NH2 ARG A 44 3.334 6.507 6.053 1.00 33.23 N ATOM 0 H ARG A 44 3.929 2.366 -0.296 1.00 74.44 H new ATOM 0 HA ARG A 44 4.075 1.151 2.413 1.00 25.54 H new ATOM 0 HB2 ARG A 44 2.116 3.300 1.555 1.00 0.04 H new ATOM 0 HB3 ARG A 44 2.654 2.896 3.173 1.00 0.04 H new ATOM 0 HG2 ARG A 44 4.922 3.806 2.632 1.00 22.42 H new ATOM 0 HG3 ARG A 44 4.358 4.233 1.028 1.00 22.42 H new ATOM 0 HD2 ARG A 44 4.144 6.253 2.195 1.00 63.32 H new ATOM 0 HD3 ARG A 44 2.515 5.612 2.251 1.00 63.32 H new ATOM 0 HE ARG A 44 3.860 4.662 4.559 1.00 33.52 H new ATOM 0 HH11 ARG A 44 2.751 7.677 3.180 1.00 14.41 H new ATOM 0 HH12 ARG A 44 2.570 8.441 4.762 1.00 14.41 H new ATOM 0 HH21 ARG A 44 3.668 5.661 6.514 1.00 33.23 H new ATOM 0 HH22 ARG A 44 3.078 7.323 6.609 1.00 33.23 H new ATOM 714 N THR A 45 2.230 -0.433 1.959 1.00 3.14 N ATOM 715 CA THR A 45 1.176 -1.430 1.695 1.00 71.12 C ATOM 716 C THR A 45 -0.040 -1.233 2.614 1.00 70.43 C ATOM 717 O THR A 45 0.107 -1.120 3.833 1.00 44.10 O ATOM 718 CB THR A 45 1.715 -2.871 1.894 1.00 60.35 C ATOM 719 OG1 THR A 45 2.942 -3.046 1.173 1.00 5.31 O ATOM 720 CG2 THR A 45 0.699 -3.908 1.421 1.00 43.01 C ATOM 0 H THR A 45 2.883 -0.703 2.695 1.00 3.14 H new ATOM 0 HA THR A 45 0.866 -1.287 0.660 1.00 71.12 H new ATOM 0 HB THR A 45 1.893 -3.016 2.960 1.00 60.35 H new ATOM 0 HG1 THR A 45 2.747 -3.169 0.220 1.00 5.31 H new ATOM 0 HG21 THR A 45 1.103 -4.909 1.572 1.00 43.01 H new ATOM 0 HG22 THR A 45 -0.224 -3.799 1.991 1.00 43.01 H new ATOM 0 HG23 THR A 45 0.491 -3.757 0.362 1.00 43.01 H new ATOM 728 N TYR A 46 -1.240 -1.215 2.029 1.00 35.23 N ATOM 729 CA TYR A 46 -2.482 -1.017 2.793 1.00 14.24 C ATOM 730 C TYR A 46 -3.447 -2.207 2.638 1.00 14.14 C ATOM 731 O TYR A 46 -3.554 -2.802 1.564 1.00 55.44 O ATOM 732 CB TYR A 46 -3.205 0.259 2.336 1.00 55.24 C ATOM 733 CG TYR A 46 -2.355 1.514 2.369 1.00 51.43 C ATOM 734 CD1 TYR A 46 -2.185 2.240 3.544 1.00 35.43 C ATOM 735 CD2 TYR A 46 -1.727 1.978 1.221 1.00 44.43 C ATOM 736 CE1 TYR A 46 -1.421 3.392 3.568 1.00 71.10 C ATOM 737 CE2 TYR A 46 -0.962 3.122 1.238 1.00 64.13 C ATOM 738 CZ TYR A 46 -0.808 3.826 2.411 1.00 53.01 C ATOM 739 OH TYR A 46 -0.044 4.972 2.423 1.00 64.25 O ATOM 0 H TYR A 46 -1.382 -1.335 1.026 1.00 35.23 H new ATOM 0 HA TYR A 46 -2.193 -0.929 3.840 1.00 14.24 H new ATOM 0 HB2 TYR A 46 -3.569 0.110 1.320 1.00 55.24 H new ATOM 0 HB3 TYR A 46 -4.079 0.412 2.969 1.00 55.24 H new ATOM 0 HD1 TYR A 46 -2.658 1.898 4.453 1.00 35.43 H new ATOM 0 HD2 TYR A 46 -1.841 1.431 0.297 1.00 44.43 H new ATOM 0 HE1 TYR A 46 -1.305 3.948 4.486 1.00 71.10 H new ATOM 0 HE2 TYR A 46 -0.484 3.467 0.333 1.00 64.13 H new ATOM 0 HH TYR A 46 0.595 4.931 3.165 1.00 64.25 H new ATOM 749 N ASP A 47 -4.152 -2.530 3.721 1.00 43.24 N ATOM 750 CA ASP A 47 -5.209 -3.545 3.697 1.00 61.24 C ATOM 751 C ASP A 47 -6.470 -2.993 3.012 1.00 12.14 C ATOM 752 O ASP A 47 -7.154 -2.125 3.565 1.00 51.44 O ATOM 753 CB ASP A 47 -5.567 -3.963 5.130 1.00 54.53 C ATOM 754 CG ASP A 47 -4.404 -4.581 5.882 1.00 4.12 C ATOM 755 OD1 ASP A 47 -3.790 -5.529 5.357 1.00 33.12 O ATOM 756 OD2 ASP A 47 -4.113 -4.132 7.011 1.00 41.22 O ATOM 0 H ASP A 47 -4.010 -2.100 4.635 1.00 43.24 H new ATOM 0 HA ASP A 47 -4.842 -4.407 3.139 1.00 61.24 H new ATOM 0 HB2 ASP A 47 -5.922 -3.090 5.678 1.00 54.53 H new ATOM 0 HB3 ASP A 47 -6.390 -4.676 5.098 1.00 54.53 H new ATOM 761 N LEU A 48 -6.785 -3.477 1.812 1.00 4.33 N ATOM 762 CA LEU A 48 -8.011 -3.054 1.122 1.00 24.02 C ATOM 763 C LEU A 48 -9.031 -4.198 1.018 1.00 21.01 C ATOM 764 O LEU A 48 -8.696 -5.325 0.642 1.00 51.33 O ATOM 765 CB LEU A 48 -7.696 -2.502 -0.278 1.00 22.30 C ATOM 766 CG LEU A 48 -6.798 -1.250 -0.315 1.00 51.21 C ATOM 767 CD1 LEU A 48 -6.737 -0.673 -1.728 1.00 4.13 C ATOM 768 CD2 LEU A 48 -7.287 -0.191 0.672 1.00 51.25 C ATOM 0 H LEU A 48 -6.219 -4.154 1.299 1.00 4.33 H new ATOM 0 HA LEU A 48 -8.454 -2.259 1.722 1.00 24.02 H new ATOM 0 HB2 LEU A 48 -7.215 -3.289 -0.859 1.00 22.30 H new ATOM 0 HB3 LEU A 48 -8.637 -2.267 -0.776 1.00 22.30 H new ATOM 0 HG LEU A 48 -5.793 -1.551 -0.018 1.00 51.21 H new ATOM 0 HD11 LEU A 48 -6.098 0.210 -1.733 1.00 4.13 H new ATOM 0 HD12 LEU A 48 -6.329 -1.420 -2.409 1.00 4.13 H new ATOM 0 HD13 LEU A 48 -7.740 -0.397 -2.052 1.00 4.13 H new ATOM 0 HD21 LEU A 48 -6.634 0.681 0.624 1.00 51.25 H new ATOM 0 HD22 LEU A 48 -8.305 0.103 0.415 1.00 51.25 H new ATOM 0 HD23 LEU A 48 -7.272 -0.600 1.682 1.00 51.25 H new ATOM 780 N LYS A 49 -10.279 -3.900 1.374 1.00 12.04 N ATOM 781 CA LYS A 49 -11.380 -4.865 1.254 1.00 31.13 C ATOM 782 C LYS A 49 -12.147 -4.644 -0.064 1.00 51.12 C ATOM 783 O LYS A 49 -12.423 -3.507 -0.437 1.00 42.11 O ATOM 784 CB LYS A 49 -12.349 -4.714 2.442 1.00 4.33 C ATOM 785 CG LYS A 49 -11.708 -4.852 3.826 1.00 12.30 C ATOM 786 CD LYS A 49 -11.079 -6.227 4.037 1.00 3.31 C ATOM 787 CE LYS A 49 -10.823 -6.522 5.515 1.00 55.24 C ATOM 788 NZ LYS A 49 -9.904 -5.537 6.150 1.00 13.41 N ATOM 0 H LYS A 49 -10.558 -2.994 1.750 1.00 12.04 H new ATOM 0 HA LYS A 49 -10.958 -5.870 1.257 1.00 31.13 H new ATOM 0 HB2 LYS A 49 -12.829 -3.738 2.377 1.00 4.33 H new ATOM 0 HB3 LYS A 49 -13.135 -5.463 2.347 1.00 4.33 H new ATOM 0 HG2 LYS A 49 -10.945 -4.083 3.949 1.00 12.30 H new ATOM 0 HG3 LYS A 49 -12.463 -4.678 4.593 1.00 12.30 H new ATOM 0 HD2 LYS A 49 -11.735 -6.993 3.623 1.00 3.31 H new ATOM 0 HD3 LYS A 49 -10.139 -6.283 3.489 1.00 3.31 H new ATOM 0 HE2 LYS A 49 -11.773 -6.523 6.050 1.00 55.24 H new ATOM 0 HE3 LYS A 49 -10.400 -7.522 5.613 1.00 55.24 H new ATOM 0 HZ1 LYS A 49 -9.645 -5.867 7.102 1.00 13.41 H new ATOM 0 HZ2 LYS A 49 -9.045 -5.440 5.572 1.00 13.41 H new ATOM 0 HZ3 LYS A 49 -10.379 -4.615 6.221 1.00 13.41 H new ATOM 802 N SER A 50 -12.483 -5.724 -0.774 1.00 71.10 N ATOM 803 CA SER A 50 -13.250 -5.612 -2.030 1.00 72.33 C ATOM 804 C SER A 50 -14.503 -6.496 -2.002 1.00 12.10 C ATOM 805 O SER A 50 -14.418 -7.719 -2.139 1.00 11.12 O ATOM 806 CB SER A 50 -12.376 -5.997 -3.236 1.00 64.20 C ATOM 807 OG SER A 50 -13.062 -5.780 -4.463 1.00 44.32 O ATOM 0 H SER A 50 -12.242 -6.679 -0.509 1.00 71.10 H new ATOM 0 HA SER A 50 -13.562 -4.572 -2.128 1.00 72.33 H new ATOM 0 HB2 SER A 50 -11.457 -5.412 -3.223 1.00 64.20 H new ATOM 0 HB3 SER A 50 -12.088 -7.045 -3.159 1.00 64.20 H new ATOM 0 HG SER A 50 -12.482 -6.032 -5.211 1.00 44.32 H new ATOM 866 N ARG A 55 -12.835 -10.947 -1.344 1.00 74.42 N ATOM 867 CA ARG A 55 -11.549 -11.205 -0.677 1.00 2.54 C ATOM 868 C ARG A 55 -10.794 -9.914 -0.318 1.00 21.02 C ATOM 869 O ARG A 55 -11.190 -8.808 -0.695 1.00 61.52 O ATOM 870 CB ARG A 55 -10.654 -12.093 -1.556 1.00 10.30 C ATOM 871 CG ARG A 55 -11.151 -13.530 -1.705 1.00 35.11 C ATOM 872 CD ARG A 55 -10.123 -14.414 -2.408 1.00 41.31 C ATOM 873 NE ARG A 55 -8.833 -14.417 -1.711 1.00 33.22 N ATOM 874 CZ ARG A 55 -7.796 -15.129 -2.068 1.00 75.40 C ATOM 875 NH1 ARG A 55 -7.856 -15.928 -3.088 1.00 52.41 N ATOM 876 NH2 ARG A 55 -6.697 -15.046 -1.394 1.00 50.04 N ATOM 0 HA ARG A 55 -11.784 -11.719 0.255 1.00 2.54 H new ATOM 0 HB2 ARG A 55 -10.575 -11.643 -2.546 1.00 10.30 H new ATOM 0 HB3 ARG A 55 -9.650 -12.110 -1.132 1.00 10.30 H new ATOM 0 HG2 ARG A 55 -11.373 -13.942 -0.721 1.00 35.11 H new ATOM 0 HG3 ARG A 55 -12.083 -13.536 -2.270 1.00 35.11 H new ATOM 0 HD2 ARG A 55 -10.504 -15.433 -2.470 1.00 41.31 H new ATOM 0 HD3 ARG A 55 -9.982 -14.063 -3.430 1.00 41.31 H new ATOM 0 HE ARG A 55 -8.738 -13.821 -0.889 1.00 33.22 H new ATOM 0 HH11 ARG A 55 -8.720 -16.007 -3.624 1.00 52.41 H new ATOM 0 HH12 ARG A 55 -7.039 -16.477 -3.354 1.00 52.41 H new ATOM 0 HH21 ARG A 55 -6.640 -14.426 -0.586 1.00 50.04 H new ATOM 0 HH22 ARG A 55 -5.886 -15.600 -1.670 1.00 50.04 H new ATOM 890 N MET A 56 -9.700 -10.083 0.424 1.00 4.04 N ATOM 891 CA MET A 56 -8.807 -8.979 0.781 1.00 53.04 C ATOM 892 C MET A 56 -7.661 -8.857 -0.234 1.00 72.24 C ATOM 893 O MET A 56 -7.082 -9.867 -0.648 1.00 13.32 O ATOM 894 CB MET A 56 -8.209 -9.210 2.176 1.00 23.23 C ATOM 895 CG MET A 56 -9.238 -9.389 3.282 1.00 2.13 C ATOM 896 SD MET A 56 -8.477 -9.787 4.869 1.00 63.25 S ATOM 897 CE MET A 56 -7.374 -8.391 5.099 1.00 64.43 C ATOM 0 H MET A 56 -9.407 -10.987 0.794 1.00 4.04 H new ATOM 0 HA MET A 56 -9.393 -8.060 0.777 1.00 53.04 H new ATOM 0 HB2 MET A 56 -7.573 -10.094 2.143 1.00 23.23 H new ATOM 0 HB3 MET A 56 -7.568 -8.365 2.427 1.00 23.23 H new ATOM 0 HG2 MET A 56 -9.824 -8.475 3.382 1.00 2.13 H new ATOM 0 HG3 MET A 56 -9.931 -10.183 3.005 1.00 2.13 H new ATOM 0 HE1 MET A 56 -7.098 -8.315 6.151 1.00 64.43 H new ATOM 0 HE2 MET A 56 -6.476 -8.534 4.497 1.00 64.43 H new ATOM 0 HE3 MET A 56 -7.877 -7.475 4.789 1.00 64.43 H new ATOM 907 N ILE A 57 -7.334 -7.628 -0.626 1.00 41.44 N ATOM 908 CA ILE A 57 -6.186 -7.377 -1.508 1.00 41.45 C ATOM 909 C ILE A 57 -5.177 -6.427 -0.846 1.00 51.05 C ATOM 910 O ILE A 57 -5.558 -5.451 -0.192 1.00 51.21 O ATOM 911 CB ILE A 57 -6.620 -6.788 -2.881 1.00 34.53 C ATOM 912 CG1 ILE A 57 -7.350 -5.448 -2.700 1.00 3.31 C ATOM 913 CG2 ILE A 57 -7.500 -7.784 -3.637 1.00 70.40 C ATOM 914 CD1 ILE A 57 -7.715 -4.768 -4.006 1.00 64.41 C ATOM 0 H ILE A 57 -7.844 -6.789 -0.350 1.00 41.44 H new ATOM 0 HA ILE A 57 -5.714 -8.344 -1.682 1.00 41.45 H new ATOM 0 HB ILE A 57 -5.722 -6.604 -3.470 1.00 34.53 H new ATOM 0 HG12 ILE A 57 -8.259 -5.615 -2.122 1.00 3.31 H new ATOM 0 HG13 ILE A 57 -6.720 -4.778 -2.116 1.00 3.31 H new ATOM 0 HG21 ILE A 57 -7.794 -7.355 -4.595 1.00 70.40 H new ATOM 0 HG22 ILE A 57 -6.943 -8.705 -3.807 1.00 70.40 H new ATOM 0 HG23 ILE A 57 -8.391 -8.002 -3.048 1.00 70.40 H new ATOM 0 HD11 ILE A 57 -8.227 -3.829 -3.797 1.00 64.41 H new ATOM 0 HD12 ILE A 57 -6.809 -4.568 -4.578 1.00 64.41 H new ATOM 0 HD13 ILE A 57 -8.372 -5.418 -4.584 1.00 64.41 H new ATOM 926 N GLN A 58 -3.890 -6.725 -1.002 1.00 51.35 N ATOM 927 CA GLN A 58 -2.829 -5.884 -0.433 1.00 72.23 C ATOM 928 C GLN A 58 -2.261 -4.919 -1.477 1.00 65.31 C ATOM 929 O GLN A 58 -1.524 -5.325 -2.371 1.00 23.01 O ATOM 930 CB GLN A 58 -1.705 -6.758 0.132 1.00 13.43 C ATOM 931 CG GLN A 58 -2.137 -7.632 1.297 1.00 43.15 C ATOM 932 CD GLN A 58 -2.716 -6.827 2.446 1.00 21.12 C ATOM 933 OE1 GLN A 58 -2.363 -5.671 2.655 1.00 61.22 O ATOM 934 NE2 GLN A 58 -3.595 -7.436 3.213 1.00 13.11 N ATOM 0 H GLN A 58 -3.552 -7.539 -1.515 1.00 51.35 H new ATOM 0 HA GLN A 58 -3.268 -5.295 0.372 1.00 72.23 H new ATOM 0 HB2 GLN A 58 -1.317 -7.394 -0.663 1.00 13.43 H new ATOM 0 HB3 GLN A 58 -0.885 -6.116 0.455 1.00 13.43 H new ATOM 0 HG2 GLN A 58 -2.880 -8.351 0.951 1.00 43.15 H new ATOM 0 HG3 GLN A 58 -1.281 -8.205 1.654 1.00 43.15 H new ATOM 0 HE21 GLN A 58 -3.867 -8.398 3.012 1.00 13.11 H new ATOM 0 HE22 GLN A 58 -4.004 -6.946 4.009 1.00 13.11 H new ATOM 943 N VAL A 59 -2.600 -3.640 -1.364 1.00 2.50 N ATOM 944 CA VAL A 59 -2.167 -2.644 -2.350 1.00 4.43 C ATOM 945 C VAL A 59 -1.043 -1.746 -1.820 1.00 34.13 C ATOM 946 O VAL A 59 -1.153 -1.155 -0.747 1.00 10.05 O ATOM 947 CB VAL A 59 -3.352 -1.769 -2.819 1.00 51.25 C ATOM 948 CG1 VAL A 59 -2.882 -0.683 -3.784 1.00 74.24 C ATOM 949 CG2 VAL A 59 -4.423 -2.643 -3.463 1.00 35.11 C ATOM 0 H VAL A 59 -3.170 -3.265 -0.606 1.00 2.50 H new ATOM 0 HA VAL A 59 -1.777 -3.206 -3.199 1.00 4.43 H new ATOM 0 HB VAL A 59 -3.783 -1.273 -1.949 1.00 51.25 H new ATOM 0 HG11 VAL A 59 -3.735 -0.082 -4.099 1.00 74.24 H new ATOM 0 HG12 VAL A 59 -2.152 -0.045 -3.286 1.00 74.24 H new ATOM 0 HG13 VAL A 59 -2.423 -1.146 -4.657 1.00 74.24 H new ATOM 0 HG21 VAL A 59 -5.254 -2.018 -3.790 1.00 35.11 H new ATOM 0 HG22 VAL A 59 -4.000 -3.163 -4.322 1.00 35.11 H new ATOM 0 HG23 VAL A 59 -4.782 -3.373 -2.737 1.00 35.11 H new ATOM 959 N SER A 60 0.033 -1.633 -2.595 1.00 64.40 N ATOM 960 CA SER A 60 1.202 -0.827 -2.204 1.00 41.24 C ATOM 961 C SER A 60 1.385 0.389 -3.124 1.00 23.01 C ATOM 962 O SER A 60 1.333 0.257 -4.346 1.00 30.35 O ATOM 963 CB SER A 60 2.474 -1.684 -2.253 1.00 24.23 C ATOM 964 OG SER A 60 2.361 -2.837 -1.434 1.00 50.34 O ATOM 0 H SER A 60 0.126 -2.089 -3.503 1.00 64.40 H new ATOM 0 HA SER A 60 1.027 -0.471 -1.189 1.00 41.24 H new ATOM 0 HB2 SER A 60 2.670 -1.986 -3.282 1.00 24.23 H new ATOM 0 HB3 SER A 60 3.327 -1.088 -1.928 1.00 24.23 H new ATOM 0 HG SER A 60 3.168 -3.385 -1.527 1.00 50.34 H new ATOM 970 N ILE A 61 1.598 1.569 -2.536 1.00 54.23 N ATOM 971 CA ILE A 61 1.892 2.785 -3.316 1.00 53.54 C ATOM 972 C ILE A 61 3.346 3.240 -3.104 1.00 1.40 C ATOM 973 O ILE A 61 3.841 3.251 -1.973 1.00 1.30 O ATOM 974 CB ILE A 61 0.939 3.958 -2.955 1.00 65.04 C ATOM 975 CG1 ILE A 61 1.087 4.346 -1.472 1.00 62.32 C ATOM 976 CG2 ILE A 61 -0.506 3.587 -3.277 1.00 33.53 C ATOM 977 CD1 ILE A 61 0.218 5.513 -1.043 1.00 62.10 C ATOM 0 H ILE A 61 1.574 1.713 -1.527 1.00 54.23 H new ATOM 0 HA ILE A 61 1.738 2.522 -4.363 1.00 53.54 H new ATOM 0 HB ILE A 61 1.214 4.823 -3.558 1.00 65.04 H new ATOM 0 HG12 ILE A 61 0.843 3.481 -0.856 1.00 62.32 H new ATOM 0 HG13 ILE A 61 2.130 4.593 -1.275 1.00 62.32 H new ATOM 0 HG21 ILE A 61 -1.161 4.419 -3.019 1.00 33.53 H new ATOM 0 HG22 ILE A 61 -0.597 3.370 -4.341 1.00 33.53 H new ATOM 0 HG23 ILE A 61 -0.793 2.707 -2.701 1.00 33.53 H new ATOM 0 HD11 ILE A 61 0.383 5.720 0.014 1.00 62.10 H new ATOM 0 HD12 ILE A 61 0.476 6.394 -1.630 1.00 62.10 H new ATOM 0 HD13 ILE A 61 -0.831 5.264 -1.204 1.00 62.10 H new ATOM 989 N PRO A 62 4.052 3.626 -4.184 1.00 72.12 N ATOM 990 CA PRO A 62 5.470 4.028 -4.109 1.00 44.34 C ATOM 991 C PRO A 62 5.706 5.273 -3.231 1.00 14.34 C ATOM 992 O PRO A 62 4.799 6.076 -3.006 1.00 53.51 O ATOM 993 CB PRO A 62 5.836 4.322 -5.571 1.00 2.20 C ATOM 994 CG PRO A 62 4.531 4.596 -6.243 1.00 11.11 C ATOM 995 CD PRO A 62 3.528 3.714 -5.558 1.00 1.24 C ATOM 0 HA PRO A 62 6.079 3.251 -3.646 1.00 44.34 H new ATOM 0 HB2 PRO A 62 6.507 5.178 -5.646 1.00 2.20 H new ATOM 0 HB3 PRO A 62 6.347 3.475 -6.029 1.00 2.20 H new ATOM 0 HG2 PRO A 62 4.256 5.647 -6.151 1.00 11.11 H new ATOM 0 HG3 PRO A 62 4.585 4.373 -7.309 1.00 11.11 H new ATOM 0 HD2 PRO A 62 2.527 4.146 -5.582 1.00 1.24 H new ATOM 0 HD3 PRO A 62 3.464 2.733 -6.029 1.00 1.24 H new ATOM 1003 N ALA A 63 6.944 5.436 -2.753 1.00 31.24 N ATOM 1004 CA ALA A 63 7.316 6.580 -1.898 1.00 64.34 C ATOM 1005 C ALA A 63 7.010 7.943 -2.555 1.00 11.35 C ATOM 1006 O ALA A 63 6.963 8.971 -1.876 1.00 72.34 O ATOM 1007 CB ALA A 63 8.793 6.495 -1.529 1.00 51.12 C ATOM 0 H ALA A 63 7.711 4.791 -2.942 1.00 31.24 H new ATOM 0 HA ALA A 63 6.704 6.519 -0.998 1.00 64.34 H new ATOM 0 HB1 ALA A 63 9.060 7.343 -0.898 1.00 51.12 H new ATOM 0 HB2 ALA A 63 8.980 5.567 -0.988 1.00 51.12 H new ATOM 0 HB3 ALA A 63 9.396 6.514 -2.437 1.00 51.12 H new ATOM 1013 N SER A 64 6.795 7.941 -3.872 1.00 22.11 N ATOM 1014 CA SER A 64 6.455 9.169 -4.613 1.00 15.11 C ATOM 1015 C SER A 64 5.053 9.692 -4.257 1.00 14.31 C ATOM 1016 O SER A 64 4.677 10.798 -4.644 1.00 31.42 O ATOM 1017 CB SER A 64 6.522 8.916 -6.127 1.00 2.12 C ATOM 1018 OG SER A 64 7.775 8.373 -6.515 1.00 45.21 O ATOM 0 H SER A 64 6.849 7.104 -4.453 1.00 22.11 H new ATOM 0 HA SER A 64 7.186 9.924 -4.325 1.00 15.11 H new ATOM 0 HB2 SER A 64 5.724 8.233 -6.417 1.00 2.12 H new ATOM 0 HB3 SER A 64 6.350 9.851 -6.660 1.00 2.12 H new ATOM 0 HG SER A 64 7.781 8.224 -7.484 1.00 45.21 H new ATOM 1024 N VAL A 65 4.279 8.890 -3.528 1.00 63.24 N ATOM 1025 CA VAL A 65 2.894 9.236 -3.195 1.00 53.13 C ATOM 1026 C VAL A 65 2.723 9.593 -1.703 1.00 60.53 C ATOM 1027 O VAL A 65 3.174 8.856 -0.819 1.00 11.41 O ATOM 1028 CB VAL A 65 1.945 8.063 -3.547 1.00 1.34 C ATOM 1029 CG1 VAL A 65 0.489 8.437 -3.295 1.00 32.44 C ATOM 1030 CG2 VAL A 65 2.147 7.612 -4.993 1.00 4.22 C ATOM 0 H VAL A 65 4.587 7.992 -3.154 1.00 63.24 H new ATOM 0 HA VAL A 65 2.638 10.115 -3.786 1.00 53.13 H new ATOM 0 HB VAL A 65 2.194 7.227 -2.893 1.00 1.34 H new ATOM 0 HG11 VAL A 65 -0.153 7.594 -3.551 1.00 32.44 H new ATOM 0 HG12 VAL A 65 0.355 8.689 -2.243 1.00 32.44 H new ATOM 0 HG13 VAL A 65 0.222 9.296 -3.910 1.00 32.44 H new ATOM 0 HG21 VAL A 65 1.469 6.788 -5.215 1.00 4.22 H new ATOM 0 HG22 VAL A 65 1.939 8.444 -5.666 1.00 4.22 H new ATOM 0 HG23 VAL A 65 3.177 7.282 -5.131 1.00 4.22 H new ATOM 1040 N PRO A 66 2.081 10.745 -1.400 1.00 31.03 N ATOM 1041 CA PRO A 66 1.747 11.133 -0.014 1.00 4.11 C ATOM 1042 C PRO A 66 0.736 10.180 0.653 1.00 70.25 C ATOM 1043 O PRO A 66 0.018 9.438 -0.025 1.00 33.34 O ATOM 1044 CB PRO A 66 1.139 12.540 -0.167 1.00 31.22 C ATOM 1045 CG PRO A 66 1.589 13.013 -1.507 1.00 11.51 C ATOM 1046 CD PRO A 66 1.669 11.781 -2.367 1.00 33.04 C ATOM 0 HA PRO A 66 2.626 11.098 0.630 1.00 4.11 H new ATOM 0 HB2 PRO A 66 0.051 12.508 -0.105 1.00 31.22 H new ATOM 0 HB3 PRO A 66 1.484 13.207 0.623 1.00 31.22 H new ATOM 0 HG2 PRO A 66 0.887 13.736 -1.923 1.00 11.51 H new ATOM 0 HG3 PRO A 66 2.557 13.509 -1.442 1.00 11.51 H new ATOM 0 HD2 PRO A 66 0.711 11.546 -2.830 1.00 33.04 H new ATOM 0 HD3 PRO A 66 2.393 11.895 -3.173 1.00 33.04 H new ATOM 1054 N LEU A 67 0.669 10.225 1.983 1.00 63.02 N ATOM 1055 CA LEU A 67 -0.211 9.337 2.756 1.00 0.22 C ATOM 1056 C LEU A 67 -1.699 9.654 2.527 1.00 31.01 C ATOM 1057 O LEU A 67 -2.110 10.815 2.536 1.00 3.34 O ATOM 1058 CB LEU A 67 0.113 9.449 4.254 1.00 22.24 C ATOM 1059 CG LEU A 67 -0.739 8.566 5.183 1.00 74.35 C ATOM 1060 CD1 LEU A 67 -0.543 7.086 4.866 1.00 72.14 C ATOM 1061 CD2 LEU A 67 -0.416 8.855 6.647 1.00 40.14 C ATOM 0 H LEU A 67 1.216 10.870 2.554 1.00 63.02 H new ATOM 0 HA LEU A 67 -0.029 8.319 2.410 1.00 0.22 H new ATOM 0 HB2 LEU A 67 1.163 9.194 4.401 1.00 22.24 H new ATOM 0 HB3 LEU A 67 -0.008 10.489 4.558 1.00 22.24 H new ATOM 0 HG LEU A 67 -1.787 8.809 5.010 1.00 74.35 H new ATOM 0 HD11 LEU A 67 -1.157 6.486 5.538 1.00 72.14 H new ATOM 0 HD12 LEU A 67 -0.838 6.893 3.835 1.00 72.14 H new ATOM 0 HD13 LEU A 67 0.506 6.821 4.999 1.00 72.14 H new ATOM 0 HD21 LEU A 67 -1.029 8.220 7.287 1.00 40.14 H new ATOM 0 HD22 LEU A 67 0.638 8.649 6.835 1.00 40.14 H new ATOM 0 HD23 LEU A 67 -0.626 9.902 6.866 1.00 40.14 H new ATOM 1073 N LYS A 68 -2.499 8.610 2.316 1.00 61.14 N ATOM 1074 CA LYS A 68 -3.953 8.761 2.207 1.00 24.24 C ATOM 1075 C LYS A 68 -4.608 8.779 3.589 1.00 21.30 C ATOM 1076 O LYS A 68 -4.680 7.753 4.270 1.00 54.40 O ATOM 1077 CB LYS A 68 -4.578 7.624 1.385 1.00 75.33 C ATOM 1078 CG LYS A 68 -4.403 7.733 -0.130 1.00 45.14 C ATOM 1079 CD LYS A 68 -2.940 7.719 -0.561 1.00 20.22 C ATOM 1080 CE LYS A 68 -2.808 7.689 -2.079 1.00 13.44 C ATOM 1081 NZ LYS A 68 -3.498 8.835 -2.732 1.00 20.41 N ATOM 0 H LYS A 68 -2.167 7.651 2.217 1.00 61.14 H new ATOM 0 HA LYS A 68 -4.132 9.710 1.702 1.00 24.24 H new ATOM 0 HB2 LYS A 68 -4.146 6.680 1.716 1.00 75.33 H new ATOM 0 HB3 LYS A 68 -5.644 7.582 1.608 1.00 75.33 H new ATOM 0 HG2 LYS A 68 -4.926 6.907 -0.611 1.00 45.14 H new ATOM 0 HG3 LYS A 68 -4.871 8.653 -0.479 1.00 45.14 H new ATOM 0 HD2 LYS A 68 -2.435 8.601 -0.168 1.00 20.22 H new ATOM 0 HD3 LYS A 68 -2.441 6.849 -0.134 1.00 20.22 H new ATOM 0 HE2 LYS A 68 -1.752 7.702 -2.349 1.00 13.44 H new ATOM 0 HE3 LYS A 68 -3.222 6.755 -2.459 1.00 13.44 H new ATOM 0 HZ1 LYS A 68 -3.058 9.025 -3.655 1.00 20.41 H new ATOM 0 HZ2 LYS A 68 -4.503 8.603 -2.868 1.00 20.41 H new ATOM 0 HZ3 LYS A 68 -3.416 9.679 -2.129 1.00 20.41 H new ATOM 1095 N GLU A 69 -5.086 9.942 3.996 1.00 30.14 N ATOM 1096 CA GLU A 69 -5.805 10.071 5.260 1.00 24.40 C ATOM 1097 C GLU A 69 -7.292 9.745 5.079 1.00 23.54 C ATOM 1098 O GLU A 69 -8.129 10.641 4.960 1.00 35.01 O ATOM 1099 CB GLU A 69 -5.641 11.484 5.816 1.00 54.20 C ATOM 1100 CG GLU A 69 -4.214 11.819 6.245 1.00 34.04 C ATOM 1101 CD GLU A 69 -4.122 13.147 6.983 1.00 65.42 C ATOM 1102 OE1 GLU A 69 -4.397 13.174 8.204 1.00 63.40 O ATOM 1103 OE2 GLU A 69 -3.786 14.168 6.348 1.00 62.20 O ATOM 0 H GLU A 69 -4.991 10.812 3.473 1.00 30.14 H new ATOM 0 HA GLU A 69 -5.382 9.358 5.968 1.00 24.40 H new ATOM 0 HB2 GLU A 69 -5.960 12.201 5.059 1.00 54.20 H new ATOM 0 HB3 GLU A 69 -6.305 11.607 6.671 1.00 54.20 H new ATOM 0 HG2 GLU A 69 -3.835 11.024 6.887 1.00 34.04 H new ATOM 0 HG3 GLU A 69 -3.572 11.851 5.365 1.00 34.04 H new ATOM 1110 N PHE A 70 -7.610 8.457 5.020 1.00 34.15 N ATOM 1111 CA PHE A 70 -8.999 8.008 4.870 1.00 51.22 C ATOM 1112 C PHE A 70 -9.486 7.283 6.129 1.00 35.41 C ATOM 1113 O PHE A 70 -8.699 6.666 6.850 1.00 62.42 O ATOM 1114 CB PHE A 70 -9.143 7.084 3.650 1.00 44.15 C ATOM 1115 CG PHE A 70 -8.904 7.768 2.326 1.00 63.31 C ATOM 1116 CD1 PHE A 70 -9.468 9.008 2.058 1.00 4.20 C ATOM 1117 CD2 PHE A 70 -8.124 7.168 1.348 1.00 53.02 C ATOM 1118 CE1 PHE A 70 -9.255 9.636 0.846 1.00 11.01 C ATOM 1119 CE2 PHE A 70 -7.910 7.793 0.133 1.00 34.40 C ATOM 1120 CZ PHE A 70 -8.476 9.025 -0.118 1.00 33.22 C ATOM 0 H PHE A 70 -6.928 7.701 5.073 1.00 34.15 H new ATOM 0 HA PHE A 70 -9.616 8.894 4.720 1.00 51.22 H new ATOM 0 HB2 PHE A 70 -8.442 6.256 3.750 1.00 44.15 H new ATOM 0 HB3 PHE A 70 -10.145 6.655 3.649 1.00 44.15 H new ATOM 0 HD1 PHE A 70 -10.081 9.488 2.807 1.00 4.20 H new ATOM 0 HD2 PHE A 70 -7.679 6.202 1.538 1.00 53.02 H new ATOM 0 HE1 PHE A 70 -9.696 10.602 0.652 1.00 11.01 H new ATOM 0 HE2 PHE A 70 -7.299 7.316 -0.619 1.00 34.40 H new ATOM 0 HZ PHE A 70 -8.311 9.512 -1.068 1.00 33.22 H new ATOM 1130 N ASP A 71 -10.789 7.361 6.383 1.00 24.15 N ATOM 1131 CA ASP A 71 -11.395 6.711 7.548 1.00 63.11 C ATOM 1132 C ASP A 71 -11.566 5.196 7.331 1.00 25.31 C ATOM 1133 O ASP A 71 -11.375 4.680 6.225 1.00 1.34 O ATOM 1134 CB ASP A 71 -12.747 7.366 7.867 1.00 61.31 C ATOM 1135 CG ASP A 71 -13.711 7.324 6.694 1.00 40.43 C ATOM 1136 OD1 ASP A 71 -13.473 8.037 5.696 1.00 62.24 O ATOM 1137 OD2 ASP A 71 -14.723 6.593 6.770 1.00 54.32 O ATOM 0 H ASP A 71 -11.451 7.870 5.797 1.00 24.15 H new ATOM 0 HA ASP A 71 -10.723 6.843 8.396 1.00 63.11 H new ATOM 0 HB2 ASP A 71 -13.198 6.861 8.721 1.00 61.31 H new ATOM 0 HB3 ASP A 71 -12.583 8.403 8.160 1.00 61.31 H new ATOM 1142 N TYR A 72 -11.938 4.486 8.396 1.00 23.24 N ATOM 1143 CA TYR A 72 -12.070 3.027 8.352 1.00 35.12 C ATOM 1144 C TYR A 72 -13.102 2.574 7.300 1.00 31.52 C ATOM 1145 O TYR A 72 -14.261 2.995 7.320 1.00 21.44 O ATOM 1146 CB TYR A 72 -12.451 2.496 9.740 1.00 22.03 C ATOM 1147 CG TYR A 72 -12.517 0.982 9.822 1.00 34.14 C ATOM 1148 CD1 TYR A 72 -11.434 0.200 9.435 1.00 30.34 C ATOM 1149 CD2 TYR A 72 -13.662 0.337 10.278 1.00 13.22 C ATOM 1150 CE1 TYR A 72 -11.489 -1.179 9.503 1.00 23.34 C ATOM 1151 CE2 TYR A 72 -13.723 -1.041 10.348 1.00 34.14 C ATOM 1152 CZ TYR A 72 -12.635 -1.793 9.958 1.00 13.12 C ATOM 1153 OH TYR A 72 -12.697 -3.166 10.022 1.00 4.32 O ATOM 0 H TYR A 72 -12.154 4.898 9.304 1.00 23.24 H new ATOM 0 HA TYR A 72 -11.106 2.613 8.058 1.00 35.12 H new ATOM 0 HB2 TYR A 72 -11.726 2.858 10.469 1.00 22.03 H new ATOM 0 HB3 TYR A 72 -13.420 2.908 10.023 1.00 22.03 H new ATOM 0 HD1 TYR A 72 -10.535 0.679 9.075 1.00 30.34 H new ATOM 0 HD2 TYR A 72 -14.517 0.923 10.582 1.00 13.22 H new ATOM 0 HE1 TYR A 72 -10.638 -1.772 9.201 1.00 23.34 H new ATOM 0 HE2 TYR A 72 -14.618 -1.527 10.706 1.00 34.14 H new ATOM 0 HH TYR A 72 -13.574 -3.438 10.365 1.00 4.32 H new ATOM 1163 N ASN A 73 -12.656 1.712 6.385 1.00 14.43 N ATOM 1164 CA ASN A 73 -13.496 1.185 5.298 1.00 65.43 C ATOM 1165 C ASN A 73 -13.968 2.293 4.341 1.00 60.42 C ATOM 1166 O ASN A 73 -15.079 2.238 3.814 1.00 11.01 O ATOM 1167 CB ASN A 73 -14.695 0.411 5.866 1.00 12.20 C ATOM 1168 CG ASN A 73 -14.277 -0.863 6.576 1.00 3.13 C ATOM 1169 OD1 ASN A 73 -13.266 -1.471 6.240 1.00 13.45 O ATOM 1170 ND2 ASN A 73 -15.050 -1.284 7.553 1.00 32.33 N ATOM 0 H ASN A 73 -11.700 1.356 6.373 1.00 14.43 H new ATOM 0 HA ASN A 73 -12.879 0.499 4.717 1.00 65.43 H new ATOM 0 HB2 ASN A 73 -15.240 1.049 6.562 1.00 12.20 H new ATOM 0 HB3 ASN A 73 -15.381 0.164 5.056 1.00 12.20 H new ATOM 0 HD21 ASN A 73 -14.816 -2.140 8.056 1.00 32.33 H new ATOM 0 HD22 ASN A 73 -15.884 -0.755 7.808 1.00 32.33 H new ATOM 1177 N ALA A 74 -13.113 3.287 4.109 1.00 13.42 N ATOM 1178 CA ALA A 74 -13.427 4.378 3.175 1.00 14.24 C ATOM 1179 C ALA A 74 -13.539 3.874 1.723 1.00 12.41 C ATOM 1180 O ALA A 74 -12.729 3.061 1.271 1.00 52.10 O ATOM 1181 CB ALA A 74 -12.375 5.477 3.277 1.00 15.24 C ATOM 0 H ALA A 74 -12.197 3.364 4.552 1.00 13.42 H new ATOM 0 HA ALA A 74 -14.398 4.785 3.456 1.00 14.24 H new ATOM 0 HB1 ALA A 74 -12.618 6.279 2.581 1.00 15.24 H new ATOM 0 HB2 ALA A 74 -12.358 5.871 4.293 1.00 15.24 H new ATOM 0 HB3 ALA A 74 -11.396 5.067 3.030 1.00 15.24 H new ATOM 1187 N ARG A 75 -14.550 4.364 1.005 1.00 30.22 N ATOM 1188 CA ARG A 75 -14.786 3.970 -0.393 1.00 30.14 C ATOM 1189 C ARG A 75 -13.677 4.482 -1.334 1.00 62.14 C ATOM 1190 O ARG A 75 -13.708 5.628 -1.785 1.00 12.25 O ATOM 1191 CB ARG A 75 -16.155 4.490 -0.860 1.00 42.21 C ATOM 1192 CG ARG A 75 -17.339 3.868 -0.123 1.00 74.43 C ATOM 1193 CD ARG A 75 -18.665 4.483 -0.559 1.00 22.34 C ATOM 1194 NE ARG A 75 -18.832 4.442 -2.012 1.00 42.44 N ATOM 1195 CZ ARG A 75 -19.371 5.399 -2.713 1.00 73.33 C ATOM 1196 NH1 ARG A 75 -19.878 6.441 -2.141 1.00 20.43 N ATOM 1197 NH2 ARG A 75 -19.421 5.305 -3.999 1.00 23.11 N ATOM 0 H ARG A 75 -15.224 5.038 1.367 1.00 30.22 H new ATOM 0 HA ARG A 75 -14.773 2.881 -0.435 1.00 30.14 H new ATOM 0 HB2 ARG A 75 -16.186 5.572 -0.728 1.00 42.21 H new ATOM 0 HB3 ARG A 75 -16.261 4.296 -1.927 1.00 42.21 H new ATOM 0 HG2 ARG A 75 -17.358 2.794 -0.308 1.00 74.43 H new ATOM 0 HG3 ARG A 75 -17.211 4.004 0.951 1.00 74.43 H new ATOM 0 HD2 ARG A 75 -19.487 3.948 -0.084 1.00 22.34 H new ATOM 0 HD3 ARG A 75 -18.716 5.516 -0.216 1.00 22.34 H new ATOM 0 HE ARG A 75 -18.506 3.612 -2.507 1.00 42.44 H new ATOM 0 HH11 ARG A 75 -19.860 6.524 -1.125 1.00 20.43 H new ATOM 0 HH12 ARG A 75 -20.296 7.180 -2.706 1.00 20.43 H new ATOM 0 HH21 ARG A 75 -19.039 4.482 -4.465 1.00 23.11 H new ATOM 0 HH22 ARG A 75 -19.843 6.053 -4.549 1.00 23.11 H new ATOM 1211 N VAL A 76 -12.703 3.620 -1.635 1.00 42.35 N ATOM 1212 CA VAL A 76 -11.567 3.996 -2.486 1.00 10.32 C ATOM 1213 C VAL A 76 -11.440 3.098 -3.732 1.00 42.24 C ATOM 1214 O VAL A 76 -12.209 2.152 -3.922 1.00 2.51 O ATOM 1215 CB VAL A 76 -10.234 3.937 -1.692 1.00 11.33 C ATOM 1216 CG1 VAL A 76 -10.262 4.907 -0.509 1.00 5.32 C ATOM 1217 CG2 VAL A 76 -9.947 2.512 -1.222 1.00 21.13 C ATOM 0 H VAL A 76 -12.676 2.656 -1.303 1.00 42.35 H new ATOM 0 HA VAL A 76 -11.762 5.017 -2.815 1.00 10.32 H new ATOM 0 HB VAL A 76 -9.427 4.242 -2.359 1.00 11.33 H new ATOM 0 HG11 VAL A 76 -9.318 4.848 0.032 1.00 5.32 H new ATOM 0 HG12 VAL A 76 -10.408 5.923 -0.875 1.00 5.32 H new ATOM 0 HG13 VAL A 76 -11.081 4.642 0.160 1.00 5.32 H new ATOM 0 HG21 VAL A 76 -9.009 2.494 -0.668 1.00 21.13 H new ATOM 0 HG22 VAL A 76 -10.756 2.172 -0.576 1.00 21.13 H new ATOM 0 HG23 VAL A 76 -9.871 1.852 -2.086 1.00 21.13 H new ATOM 1227 N GLU A 77 -10.468 3.422 -4.583 1.00 61.33 N ATOM 1228 CA GLU A 77 -10.138 2.614 -5.763 1.00 71.23 C ATOM 1229 C GLU A 77 -8.707 2.923 -6.244 1.00 12.54 C ATOM 1230 O GLU A 77 -8.013 3.762 -5.664 1.00 42.50 O ATOM 1231 CB GLU A 77 -11.145 2.840 -6.904 1.00 4.42 C ATOM 1232 CG GLU A 77 -11.161 4.261 -7.461 1.00 64.11 C ATOM 1233 CD GLU A 77 -11.951 4.366 -8.758 1.00 44.14 C ATOM 1234 OE1 GLU A 77 -13.197 4.322 -8.710 1.00 44.40 O ATOM 1235 OE2 GLU A 77 -11.326 4.455 -9.836 1.00 54.51 O ATOM 0 H GLU A 77 -9.885 4.252 -4.477 1.00 61.33 H new ATOM 0 HA GLU A 77 -10.196 1.565 -5.471 1.00 71.23 H new ATOM 0 HB2 GLU A 77 -10.918 2.148 -7.715 1.00 4.42 H new ATOM 0 HB3 GLU A 77 -12.144 2.593 -6.545 1.00 4.42 H new ATOM 0 HG2 GLU A 77 -11.593 4.934 -6.720 1.00 64.11 H new ATOM 0 HG3 GLU A 77 -10.137 4.592 -7.634 1.00 64.11 H new ATOM 1242 N LEU A 78 -8.270 2.251 -7.308 1.00 24.11 N ATOM 1243 CA LEU A 78 -6.879 2.359 -7.774 1.00 3.14 C ATOM 1244 C LEU A 78 -6.772 2.993 -9.166 1.00 71.12 C ATOM 1245 O LEU A 78 -7.665 2.853 -10.000 1.00 25.34 O ATOM 1246 CB LEU A 78 -6.226 0.973 -7.789 1.00 73.30 C ATOM 1247 CG LEU A 78 -6.194 0.262 -6.432 1.00 64.43 C ATOM 1248 CD1 LEU A 78 -5.537 -1.110 -6.549 1.00 40.13 C ATOM 1249 CD2 LEU A 78 -5.476 1.125 -5.400 1.00 64.11 C ATOM 0 H LEU A 78 -8.853 1.627 -7.865 1.00 24.11 H new ATOM 0 HA LEU A 78 -6.357 3.014 -7.077 1.00 3.14 H new ATOM 0 HB2 LEU A 78 -6.760 0.343 -8.501 1.00 73.30 H new ATOM 0 HB3 LEU A 78 -5.204 1.072 -8.155 1.00 73.30 H new ATOM 0 HG LEU A 78 -7.221 0.110 -6.099 1.00 64.43 H new ATOM 0 HD11 LEU A 78 -5.527 -1.593 -5.572 1.00 40.13 H new ATOM 0 HD12 LEU A 78 -6.100 -1.724 -7.252 1.00 40.13 H new ATOM 0 HD13 LEU A 78 -4.514 -0.994 -6.907 1.00 40.13 H new ATOM 0 HD21 LEU A 78 -5.461 0.608 -4.441 1.00 64.11 H new ATOM 0 HD22 LEU A 78 -4.453 1.310 -5.729 1.00 64.11 H new ATOM 0 HD23 LEU A 78 -6.000 2.075 -5.292 1.00 64.11 H new ATOM 1261 N ILE A 79 -5.662 3.690 -9.404 1.00 53.14 N ATOM 1262 CA ILE A 79 -5.375 4.277 -10.718 1.00 61.23 C ATOM 1263 C ILE A 79 -4.742 3.235 -11.666 1.00 4.15 C ATOM 1264 O ILE A 79 -5.392 2.752 -12.590 1.00 50.42 O ATOM 1265 CB ILE A 79 -4.441 5.507 -10.582 1.00 70.20 C ATOM 1266 CG1 ILE A 79 -5.058 6.553 -9.635 1.00 33.54 C ATOM 1267 CG2 ILE A 79 -4.148 6.126 -11.949 1.00 45.33 C ATOM 1268 CD1 ILE A 79 -6.390 7.105 -10.106 1.00 65.31 C ATOM 0 H ILE A 79 -4.942 3.864 -8.703 1.00 53.14 H new ATOM 0 HA ILE A 79 -6.323 4.603 -11.146 1.00 61.23 H new ATOM 0 HB ILE A 79 -3.497 5.169 -10.155 1.00 70.20 H new ATOM 0 HG12 ILE A 79 -5.191 6.103 -8.651 1.00 33.54 H new ATOM 0 HG13 ILE A 79 -4.356 7.379 -9.516 1.00 33.54 H new ATOM 0 HG21 ILE A 79 -3.491 6.987 -11.825 1.00 45.33 H new ATOM 0 HG22 ILE A 79 -3.662 5.387 -12.586 1.00 45.33 H new ATOM 0 HG23 ILE A 79 -5.082 6.446 -12.411 1.00 45.33 H new ATOM 0 HD11 ILE A 79 -6.757 7.835 -9.384 1.00 65.31 H new ATOM 0 HD12 ILE A 79 -6.262 7.586 -11.076 1.00 65.31 H new ATOM 0 HD13 ILE A 79 -7.109 6.291 -10.197 1.00 65.31 H new ATOM 1280 N ASN A 80 -3.472 2.888 -11.429 1.00 25.32 N ATOM 1281 CA ASN A 80 -2.797 1.824 -12.199 1.00 51.31 C ATOM 1282 C ASN A 80 -2.296 0.693 -11.281 1.00 12.24 C ATOM 1283 O ASN A 80 -1.165 0.735 -10.794 1.00 72.35 O ATOM 1284 CB ASN A 80 -1.618 2.386 -13.011 1.00 34.10 C ATOM 1285 CG ASN A 80 -2.057 3.353 -14.095 1.00 24.44 C ATOM 1286 OD1 ASN A 80 -2.047 4.639 -13.799 1.00 35.01 O flip ATOM 1287 ND2 ASN A 80 -2.379 2.949 -15.205 1.00 53.43 N flip ATOM 0 H ASN A 80 -2.889 3.323 -10.714 1.00 25.32 H new ATOM 0 HA ASN A 80 -3.537 1.414 -12.886 1.00 51.31 H new ATOM 0 HB2 ASN A 80 -0.927 2.893 -12.337 1.00 34.10 H new ATOM 0 HB3 ASN A 80 -1.071 1.561 -13.467 1.00 34.10 H new ATOM 0 HD21 ASN A 80 -2.377 1.949 -15.404 1.00 53.43 H new ATOM 0 HD22 ASN A 80 -2.649 3.613 -15.931 1.00 53.43 H new ATOM 1294 N PRO A 81 -3.151 -0.304 -10.988 1.00 54.22 N ATOM 1295 CA PRO A 81 -2.764 -1.484 -10.194 1.00 43.14 C ATOM 1296 C PRO A 81 -2.044 -2.574 -11.018 1.00 53.21 C ATOM 1297 O PRO A 81 -2.460 -2.898 -12.130 1.00 44.13 O ATOM 1298 CB PRO A 81 -4.118 -1.992 -9.691 1.00 74.35 C ATOM 1299 CG PRO A 81 -5.078 -1.643 -10.781 1.00 34.44 C ATOM 1300 CD PRO A 81 -4.575 -0.356 -11.392 1.00 40.53 C ATOM 0 HA PRO A 81 -2.048 -1.235 -9.411 1.00 43.14 H new ATOM 0 HB2 PRO A 81 -4.096 -3.067 -9.510 1.00 74.35 H new ATOM 0 HB3 PRO A 81 -4.396 -1.516 -8.750 1.00 74.35 H new ATOM 0 HG2 PRO A 81 -5.124 -2.436 -11.527 1.00 34.44 H new ATOM 0 HG3 PRO A 81 -6.086 -1.518 -10.386 1.00 34.44 H new ATOM 0 HD2 PRO A 81 -4.683 -0.360 -12.477 1.00 40.53 H new ATOM 0 HD3 PRO A 81 -5.128 0.506 -11.019 1.00 40.53 H new ATOM 1308 N ILE A 82 -0.960 -3.137 -10.471 1.00 3.02 N ATOM 1309 CA ILE A 82 -0.289 -4.290 -11.097 1.00 14.21 C ATOM 1310 C ILE A 82 -0.088 -5.438 -10.090 1.00 31.01 C ATOM 1311 O ILE A 82 0.319 -5.217 -8.946 1.00 63.13 O ATOM 1312 CB ILE A 82 1.088 -3.913 -11.726 1.00 71.04 C ATOM 1313 CG1 ILE A 82 2.100 -3.484 -10.644 1.00 53.32 C ATOM 1314 CG2 ILE A 82 0.918 -2.809 -12.771 1.00 35.24 C ATOM 1315 CD1 ILE A 82 3.492 -3.203 -11.176 1.00 52.01 C ATOM 0 H ILE A 82 -0.529 -2.818 -9.603 1.00 3.02 H new ATOM 0 HA ILE A 82 -0.950 -4.621 -11.898 1.00 14.21 H new ATOM 0 HB ILE A 82 1.483 -4.801 -12.220 1.00 71.04 H new ATOM 0 HG12 ILE A 82 1.726 -2.590 -10.146 1.00 53.32 H new ATOM 0 HG13 ILE A 82 2.162 -4.267 -9.889 1.00 53.32 H new ATOM 0 HG21 ILE A 82 1.889 -2.560 -13.198 1.00 35.24 H new ATOM 0 HG22 ILE A 82 0.252 -3.155 -13.561 1.00 35.24 H new ATOM 0 HG23 ILE A 82 0.491 -1.924 -12.299 1.00 35.24 H new ATOM 0 HD11 ILE A 82 4.143 -2.908 -10.353 1.00 52.01 H new ATOM 0 HD12 ILE A 82 3.889 -4.101 -11.649 1.00 52.01 H new ATOM 0 HD13 ILE A 82 3.446 -2.398 -11.909 1.00 52.01 H new ATOM 1327 N ALA A 83 -0.397 -6.662 -10.516 1.00 41.23 N ATOM 1328 CA ALA A 83 -0.150 -7.851 -9.694 1.00 61.11 C ATOM 1329 C ALA A 83 1.333 -8.240 -9.761 1.00 2.41 C ATOM 1330 O ALA A 83 1.825 -8.667 -10.811 1.00 12.24 O ATOM 1331 CB ALA A 83 -1.030 -9.011 -10.156 1.00 52.11 C ATOM 0 H ALA A 83 -0.818 -6.859 -11.424 1.00 41.23 H new ATOM 0 HA ALA A 83 -0.403 -7.620 -8.659 1.00 61.11 H new ATOM 0 HB1 ALA A 83 -0.834 -9.886 -9.536 1.00 52.11 H new ATOM 0 HB2 ALA A 83 -2.079 -8.730 -10.066 1.00 52.11 H new ATOM 0 HB3 ALA A 83 -0.805 -9.246 -11.196 1.00 52.11 H new ATOM 1337 N ASP A 84 2.045 -8.090 -8.646 1.00 20.22 N ATOM 1338 CA ASP A 84 3.502 -8.270 -8.644 1.00 33.41 C ATOM 1339 C ASP A 84 3.912 -9.629 -8.044 1.00 61.13 C ATOM 1340 O ASP A 84 3.201 -10.200 -7.218 1.00 63.04 O ATOM 1341 CB ASP A 84 4.159 -7.122 -7.866 1.00 74.33 C ATOM 1342 CG ASP A 84 5.586 -6.849 -8.313 1.00 4.10 C ATOM 1343 OD1 ASP A 84 6.346 -7.812 -8.521 1.00 22.41 O ATOM 1344 OD2 ASP A 84 5.949 -5.665 -8.471 1.00 25.31 O ATOM 0 H ASP A 84 1.646 -7.847 -7.739 1.00 20.22 H new ATOM 0 HA ASP A 84 3.847 -8.257 -9.678 1.00 33.41 H new ATOM 0 HB2 ASP A 84 3.564 -6.217 -7.991 1.00 74.33 H new ATOM 0 HB3 ASP A 84 4.156 -7.361 -6.803 1.00 74.33 H new ATOM 1522 N TRP A 98 -2.766 -12.046 -2.281 1.00 11.24 N ATOM 1523 CA TRP A 98 -1.893 -11.444 -3.301 1.00 13.34 C ATOM 1524 C TRP A 98 -1.663 -9.930 -3.122 1.00 45.22 C ATOM 1525 O TRP A 98 -2.537 -9.193 -2.653 1.00 74.12 O ATOM 1526 CB TRP A 98 -2.449 -11.738 -4.705 1.00 22.24 C ATOM 1527 CG TRP A 98 -3.836 -11.200 -4.972 1.00 22.14 C ATOM 1528 CD1 TRP A 98 -4.883 -11.115 -4.093 1.00 23.21 C ATOM 1529 CD2 TRP A 98 -4.329 -10.706 -6.224 1.00 75.32 C ATOM 1530 NE1 TRP A 98 -5.986 -10.594 -4.721 1.00 40.42 N ATOM 1531 CE2 TRP A 98 -5.673 -10.335 -6.029 1.00 4.35 C ATOM 1532 CE3 TRP A 98 -3.764 -10.540 -7.495 1.00 74.24 C ATOM 1533 CZ2 TRP A 98 -6.457 -9.810 -7.051 1.00 52.25 C ATOM 1534 CZ3 TRP A 98 -4.544 -10.016 -8.507 1.00 55.24 C ATOM 1535 CH2 TRP A 98 -5.878 -9.657 -8.281 1.00 41.03 C ATOM 0 HA TRP A 98 -0.915 -11.908 -3.176 1.00 13.34 H new ATOM 0 HB2 TRP A 98 -1.766 -11.320 -5.444 1.00 22.24 H new ATOM 0 HB3 TRP A 98 -2.460 -12.817 -4.856 1.00 22.24 H new ATOM 0 HD1 TRP A 98 -4.846 -11.415 -3.056 1.00 23.21 H new ATOM 0 HE1 TRP A 98 -6.893 -10.427 -4.284 1.00 40.42 H new ATOM 0 HE3 TRP A 98 -2.737 -10.817 -7.680 1.00 74.24 H new ATOM 0 HZ2 TRP A 98 -7.487 -9.533 -6.880 1.00 52.25 H new ATOM 0 HZ3 TRP A 98 -4.117 -9.881 -9.490 1.00 55.24 H new ATOM 0 HH2 TRP A 98 -6.462 -9.251 -9.094 1.00 41.03 H new ATOM 1546 N TYR A 99 -0.473 -9.483 -3.530 1.00 13.25 N ATOM 1547 CA TYR A 99 -0.065 -8.081 -3.400 1.00 35.23 C ATOM 1548 C TYR A 99 -0.143 -7.333 -4.744 1.00 54.42 C ATOM 1549 O TYR A 99 0.565 -7.653 -5.710 1.00 20.41 O ATOM 1550 CB TYR A 99 1.355 -8.001 -2.820 1.00 43.11 C ATOM 1551 CG TYR A 99 1.435 -8.409 -1.357 1.00 11.21 C ATOM 1552 CD1 TYR A 99 1.321 -9.742 -0.975 1.00 42.42 C ATOM 1553 CD2 TYR A 99 1.608 -7.454 -0.359 1.00 2.13 C ATOM 1554 CE1 TYR A 99 1.380 -10.110 0.356 1.00 73.43 C ATOM 1555 CE2 TYR A 99 1.672 -7.817 0.974 1.00 54.43 C ATOM 1556 CZ TYR A 99 1.553 -9.145 1.328 1.00 63.41 C ATOM 1557 OH TYR A 99 1.609 -9.510 2.657 1.00 14.23 O ATOM 0 H TYR A 99 0.234 -10.081 -3.959 1.00 13.25 H new ATOM 0 HA TYR A 99 -0.761 -7.592 -2.718 1.00 35.23 H new ATOM 0 HB2 TYR A 99 2.015 -8.642 -3.405 1.00 43.11 H new ATOM 0 HB3 TYR A 99 1.726 -6.981 -2.926 1.00 43.11 H new ATOM 0 HD1 TYR A 99 1.184 -10.501 -1.731 1.00 42.42 H new ATOM 0 HD2 TYR A 99 1.694 -6.412 -0.630 1.00 2.13 H new ATOM 0 HE1 TYR A 99 1.291 -11.150 0.635 1.00 73.43 H new ATOM 0 HE2 TYR A 99 1.815 -7.064 1.735 1.00 54.43 H new ATOM 0 HH TYR A 99 2.178 -8.879 3.146 1.00 14.23 H new ATOM 1567 N ILE A 100 -1.017 -6.329 -4.788 1.00 33.53 N ATOM 1568 CA ILE A 100 -1.214 -5.499 -5.977 1.00 15.33 C ATOM 1569 C ILE A 100 -0.580 -4.114 -5.783 1.00 22.31 C ATOM 1570 O ILE A 100 -1.114 -3.265 -5.073 1.00 64.10 O ATOM 1571 CB ILE A 100 -2.721 -5.323 -6.280 1.00 12.03 C ATOM 1572 CG1 ILE A 100 -3.437 -6.684 -6.270 1.00 62.04 C ATOM 1573 CG2 ILE A 100 -2.921 -4.621 -7.624 1.00 53.43 C ATOM 1574 CD1 ILE A 100 -4.939 -6.579 -6.413 1.00 35.54 C ATOM 0 H ILE A 100 -1.609 -6.067 -4.000 1.00 33.53 H new ATOM 0 HA ILE A 100 -0.733 -6.005 -6.814 1.00 15.33 H new ATOM 0 HB ILE A 100 -3.157 -4.700 -5.499 1.00 12.03 H new ATOM 0 HG12 ILE A 100 -3.045 -7.297 -7.081 1.00 62.04 H new ATOM 0 HG13 ILE A 100 -3.204 -7.201 -5.339 1.00 62.04 H new ATOM 0 HG21 ILE A 100 -3.987 -4.506 -7.819 1.00 53.43 H new ATOM 0 HG22 ILE A 100 -2.450 -3.639 -7.595 1.00 53.43 H new ATOM 0 HG23 ILE A 100 -2.469 -5.217 -8.417 1.00 53.43 H new ATOM 0 HD11 ILE A 100 -5.377 -7.577 -6.398 1.00 35.54 H new ATOM 0 HD12 ILE A 100 -5.343 -5.993 -5.587 1.00 35.54 H new ATOM 0 HD13 ILE A 100 -5.181 -6.091 -7.357 1.00 35.54 H new ATOM 1586 N LYS A 101 0.560 -3.888 -6.411 1.00 41.13 N ATOM 1587 CA LYS A 101 1.271 -2.616 -6.276 1.00 61.41 C ATOM 1588 C LYS A 101 0.742 -1.600 -7.303 1.00 51.45 C ATOM 1589 O LYS A 101 0.765 -1.850 -8.506 1.00 44.14 O ATOM 1590 CB LYS A 101 2.778 -2.871 -6.428 1.00 23.34 C ATOM 1591 CG LYS A 101 3.304 -3.883 -5.403 1.00 40.14 C ATOM 1592 CD LYS A 101 4.635 -4.515 -5.814 1.00 73.12 C ATOM 1593 CE LYS A 101 5.845 -3.651 -5.487 1.00 22.15 C ATOM 1594 NZ LYS A 101 5.808 -2.327 -6.164 1.00 42.40 N ATOM 0 H LYS A 101 1.018 -4.565 -7.021 1.00 41.13 H new ATOM 0 HA LYS A 101 1.097 -2.186 -5.290 1.00 61.41 H new ATOM 0 HB2 LYS A 101 2.983 -3.237 -7.434 1.00 23.34 H new ATOM 0 HB3 LYS A 101 3.317 -1.930 -6.315 1.00 23.34 H new ATOM 0 HG2 LYS A 101 3.426 -3.386 -4.440 1.00 40.14 H new ATOM 0 HG3 LYS A 101 2.562 -4.670 -5.264 1.00 40.14 H new ATOM 0 HD2 LYS A 101 4.740 -5.478 -5.314 1.00 73.12 H new ATOM 0 HD3 LYS A 101 4.619 -4.712 -6.886 1.00 73.12 H new ATOM 0 HE2 LYS A 101 5.898 -3.501 -4.409 1.00 22.15 H new ATOM 0 HE3 LYS A 101 6.752 -4.179 -5.780 1.00 22.15 H new ATOM 0 HZ1 LYS A 101 6.767 -1.925 -6.194 1.00 42.40 H new ATOM 0 HZ2 LYS A 101 5.451 -2.443 -7.134 1.00 42.40 H new ATOM 0 HZ3 LYS A 101 5.180 -1.686 -5.638 1.00 42.40 H new ATOM 1608 N ALA A 102 0.249 -0.460 -6.825 1.00 22.32 N ATOM 1609 CA ALA A 102 -0.479 0.481 -7.686 1.00 0.21 C ATOM 1610 C ALA A 102 0.209 1.849 -7.810 1.00 3.44 C ATOM 1611 O ALA A 102 1.060 2.217 -7.004 1.00 61.42 O ATOM 1612 CB ALA A 102 -1.906 0.659 -7.168 1.00 61.11 C ATOM 0 H ALA A 102 0.337 -0.163 -5.853 1.00 22.32 H new ATOM 0 HA ALA A 102 -0.491 0.047 -8.686 1.00 0.21 H new ATOM 0 HB1 ALA A 102 -2.442 1.358 -7.810 1.00 61.11 H new ATOM 0 HB2 ALA A 102 -2.418 -0.303 -7.173 1.00 61.11 H new ATOM 0 HB3 ALA A 102 -1.878 1.050 -6.151 1.00 61.11 H new ATOM 1618 N ASP A 103 -0.176 2.588 -8.848 1.00 72.22 N ATOM 1619 CA ASP A 103 0.298 3.960 -9.063 1.00 64.01 C ATOM 1620 C ASP A 103 -0.162 4.905 -7.933 1.00 54.15 C ATOM 1621 O ASP A 103 0.654 5.572 -7.292 1.00 0.12 O ATOM 1622 CB ASP A 103 -0.218 4.458 -10.421 1.00 72.55 C ATOM 1623 CG ASP A 103 0.146 5.904 -10.711 1.00 50.22 C ATOM 1624 OD1 ASP A 103 1.336 6.264 -10.591 1.00 30.40 O ATOM 1625 OD2 ASP A 103 -0.758 6.686 -11.069 1.00 23.21 O ATOM 0 H ASP A 103 -0.823 2.257 -9.564 1.00 72.22 H new ATOM 0 HA ASP A 103 1.388 3.958 -9.057 1.00 64.01 H new ATOM 0 HB2 ASP A 103 0.187 3.824 -11.210 1.00 72.55 H new ATOM 0 HB3 ASP A 103 -1.302 4.351 -10.451 1.00 72.55 H new ATOM 1630 N ASP A 104 -1.474 4.950 -7.697 1.00 51.24 N ATOM 1631 CA ASP A 104 -2.054 5.840 -6.682 1.00 53.13 C ATOM 1632 C ASP A 104 -3.440 5.342 -6.224 1.00 25.42 C ATOM 1633 O ASP A 104 -4.104 4.575 -6.928 1.00 73.11 O ATOM 1634 CB ASP A 104 -2.158 7.266 -7.244 1.00 61.52 C ATOM 1635 CG ASP A 104 -2.753 8.251 -6.250 1.00 72.52 C ATOM 1636 OD1 ASP A 104 -2.277 8.300 -5.097 1.00 1.11 O ATOM 1637 OD2 ASP A 104 -3.696 8.978 -6.613 1.00 0.21 O ATOM 0 H ASP A 104 -2.159 4.381 -8.194 1.00 51.24 H new ATOM 0 HA ASP A 104 -1.399 5.840 -5.811 1.00 53.13 H new ATOM 0 HB2 ASP A 104 -1.166 7.609 -7.538 1.00 61.52 H new ATOM 0 HB3 ASP A 104 -2.771 7.252 -8.145 1.00 61.52 H new ATOM 1642 N ILE A 105 -3.864 5.792 -5.039 1.00 31.53 N ATOM 1643 CA ILE A 105 -5.166 5.414 -4.470 1.00 63.44 C ATOM 1644 C ILE A 105 -6.082 6.643 -4.313 1.00 34.31 C ATOM 1645 O ILE A 105 -5.735 7.605 -3.619 1.00 0.25 O ATOM 1646 CB ILE A 105 -5.004 4.736 -3.082 1.00 61.21 C ATOM 1647 CG1 ILE A 105 -4.086 3.506 -3.180 1.00 33.22 C ATOM 1648 CG2 ILE A 105 -6.367 4.345 -2.511 1.00 24.34 C ATOM 1649 CD1 ILE A 105 -3.869 2.787 -1.862 1.00 14.22 C ATOM 0 H ILE A 105 -3.321 6.423 -4.450 1.00 31.53 H new ATOM 0 HA ILE A 105 -5.618 4.707 -5.166 1.00 63.44 H new ATOM 0 HB ILE A 105 -4.541 5.454 -2.405 1.00 61.21 H new ATOM 0 HG12 ILE A 105 -4.512 2.805 -3.898 1.00 33.22 H new ATOM 0 HG13 ILE A 105 -3.119 3.818 -3.574 1.00 33.22 H new ATOM 0 HG21 ILE A 105 -6.232 3.872 -1.539 1.00 24.34 H new ATOM 0 HG22 ILE A 105 -6.984 5.237 -2.398 1.00 24.34 H new ATOM 0 HG23 ILE A 105 -6.859 3.647 -3.189 1.00 24.34 H new ATOM 0 HD11 ILE A 105 -3.211 1.932 -2.018 1.00 14.22 H new ATOM 0 HD12 ILE A 105 -3.413 3.470 -1.146 1.00 14.22 H new ATOM 0 HD13 ILE A 105 -4.827 2.441 -1.474 1.00 14.22 H new ATOM 1661 N VAL A 106 -7.249 6.597 -4.952 1.00 74.44 N ATOM 1662 CA VAL A 106 -8.233 7.692 -4.885 1.00 50.32 C ATOM 1663 C VAL A 106 -9.597 7.173 -4.396 1.00 34.05 C ATOM 1664 O VAL A 106 -9.746 5.994 -4.094 1.00 53.12 O ATOM 1665 CB VAL A 106 -8.417 8.376 -6.267 1.00 44.21 C ATOM 1666 CG1 VAL A 106 -7.117 9.034 -6.733 1.00 22.31 C ATOM 1667 CG2 VAL A 106 -8.924 7.372 -7.306 1.00 33.04 C ATOM 0 H VAL A 106 -7.544 5.809 -5.528 1.00 74.44 H new ATOM 0 HA VAL A 106 -7.847 8.425 -4.177 1.00 50.32 H new ATOM 0 HB VAL A 106 -9.167 9.160 -6.157 1.00 44.21 H new ATOM 0 HG11 VAL A 106 -7.275 9.505 -7.703 1.00 22.31 H new ATOM 0 HG12 VAL A 106 -6.811 9.789 -6.009 1.00 22.31 H new ATOM 0 HG13 VAL A 106 -6.337 8.278 -6.820 1.00 22.31 H new ATOM 0 HG21 VAL A 106 -9.046 7.873 -8.267 1.00 33.04 H new ATOM 0 HG22 VAL A 106 -8.204 6.560 -7.409 1.00 33.04 H new ATOM 0 HG23 VAL A 106 -9.883 6.968 -6.983 1.00 33.04 H new ATOM 1677 N LEU A 107 -10.588 8.057 -4.305 1.00 5.24 N ATOM 1678 CA LEU A 107 -11.944 7.657 -3.904 1.00 63.22 C ATOM 1679 C LEU A 107 -12.723 7.056 -5.087 1.00 12.25 C ATOM 1680 O LEU A 107 -12.480 7.408 -6.241 1.00 62.13 O ATOM 1681 CB LEU A 107 -12.700 8.855 -3.320 1.00 41.44 C ATOM 1682 CG LEU A 107 -12.121 9.413 -2.007 1.00 70.51 C ATOM 1683 CD1 LEU A 107 -12.911 10.631 -1.543 1.00 51.35 C ATOM 1684 CD2 LEU A 107 -12.106 8.337 -0.921 1.00 40.14 C ATOM 0 H LEU A 107 -10.483 9.052 -4.502 1.00 5.24 H new ATOM 0 HA LEU A 107 -11.855 6.887 -3.138 1.00 63.22 H new ATOM 0 HB2 LEU A 107 -12.713 9.654 -4.062 1.00 41.44 H new ATOM 0 HB3 LEU A 107 -13.736 8.563 -3.147 1.00 41.44 H new ATOM 0 HG LEU A 107 -11.093 9.723 -2.195 1.00 70.51 H new ATOM 0 HD11 LEU A 107 -12.485 11.009 -0.614 1.00 51.35 H new ATOM 0 HD12 LEU A 107 -12.864 11.408 -2.306 1.00 51.35 H new ATOM 0 HD13 LEU A 107 -13.951 10.349 -1.377 1.00 51.35 H new ATOM 0 HD21 LEU A 107 -11.693 8.753 -0.002 1.00 40.14 H new ATOM 0 HD22 LEU A 107 -13.123 7.991 -0.738 1.00 40.14 H new ATOM 0 HD23 LEU A 107 -11.491 7.499 -1.248 1.00 40.14 H new ATOM 1696 N THR A 108 -13.661 6.153 -4.791 1.00 3.43 N ATOM 1697 CA THR A 108 -14.413 5.445 -5.841 1.00 23.12 C ATOM 1698 C THR A 108 -15.276 6.401 -6.686 1.00 61.22 C ATOM 1699 O THR A 108 -16.096 7.153 -6.157 1.00 73.41 O ATOM 1700 CB THR A 108 -15.326 4.337 -5.254 1.00 31.11 C ATOM 1701 OG1 THR A 108 -14.575 3.470 -4.384 1.00 0.15 O ATOM 1702 CG2 THR A 108 -15.957 3.509 -6.370 1.00 72.43 C ATOM 0 H THR A 108 -13.920 5.893 -3.839 1.00 3.43 H new ATOM 0 HA THR A 108 -13.659 4.988 -6.482 1.00 23.12 H new ATOM 0 HB THR A 108 -16.115 4.824 -4.682 1.00 31.11 H new ATOM 0 HG1 THR A 108 -13.744 3.200 -4.829 1.00 0.15 H new ATOM 0 HG21 THR A 108 -16.593 2.738 -5.936 1.00 72.43 H new ATOM 0 HG22 THR A 108 -16.557 4.157 -7.009 1.00 72.43 H new ATOM 0 HG23 THR A 108 -15.172 3.040 -6.963 1.00 72.43 H new