USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 915 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 31 ASN : amide:sc= -2.08! X(o=-2.8!,f=-3) USER MOD Set 1.2: A 106 TYR OH : rot 24:sc= -0.741! USER MOD Single : A 20 LYS NZ :NH3+ -149:sc= 1.2 (180deg=-0.268) USER MOD Single : A 22 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.08) USER MOD Single : A 23 GLN :FLIP amide:sc= -1.11 F(o=-3.8!,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 176:sc= 1.3 (180deg=1.2) USER MOD Single : A 33 GLN :FLIP amide:sc= -1.03 F(o=-4.1!,f=-1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 30:sc= -0.233 USER MOD Single : A 41 SER OG : rot 142:sc= 0.218 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 95:sc= 1.21 USER MOD Single : A 49 LYS NZ :NH3+ 153:sc= 1.23 (180deg=0.665) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0.0672 (180deg=0.0106) USER MOD Single : A 56 LYS NZ :NH3+ -103:sc= 1.18 (180deg=-0.61) USER MOD Single : A 57 TYR OH : rot -167:sc= 1.03 USER MOD Single : A 58 MET CE :methyl -125:sc= -2.01 (180deg=-3.14!) USER MOD Single : A 63 ASN : amide:sc= 2.22 K(o=2.2,f=-2) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 71 MET CE :methyl 177:sc= -3.68! (180deg=-3.69!) USER MOD Single : A 72 SER OG : rot 72:sc= 1.16 USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= 1.2 (180deg=0.412) USER MOD Single : A 76 MET CE :methyl 174:sc= -1.03 (180deg=-1.17) USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0124) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.0464 (180deg=-0.289) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -147:sc= -0.0589 (180deg=-0.478) USER MOD Single : A 97 SER OG : rot -83:sc= 2.2 USER MOD Single : A 98 SER OG : rot -4:sc= 0.44 USER MOD Single : A 100 SER OG : rot 180:sc= -0.205 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0315 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -160:sc= -1.28 (180deg=-2.58) USER MOD Single : A 113 MET CE :methyl -141:sc= -1.95 (180deg=-2.13) USER MOD Single : A 116 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.883) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 151:sc= 0.0489 (180deg=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl 161:sc= -0.129 (180deg=-0.664) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 245 N LEU A 18 11.163 4.129 -8.688 1.00 54.42 N ATOM 246 CA LEU A 18 11.267 3.292 -9.871 1.00 45.25 C ATOM 247 C LEU A 18 10.672 1.920 -9.554 1.00 75.04 C ATOM 248 O LEU A 18 10.075 1.278 -10.425 1.00 34.13 O ATOM 249 CB LEU A 18 12.751 3.212 -10.337 1.00 42.45 C ATOM 250 CG LEU A 18 13.062 2.698 -11.778 1.00 33.44 C ATOM 251 CD1 LEU A 18 12.732 1.227 -11.974 1.00 0.02 C ATOM 252 CD2 LEU A 18 12.334 3.552 -12.812 1.00 51.12 C ATOM 0 HA LEU A 18 10.703 3.720 -10.700 1.00 45.25 H new ATOM 0 HB2 LEU A 18 13.180 4.209 -10.243 1.00 42.45 H new ATOM 0 HB3 LEU A 18 13.283 2.569 -9.636 1.00 42.45 H new ATOM 0 HG LEU A 18 14.139 2.793 -11.918 1.00 33.44 H new ATOM 0 HD11 LEU A 18 12.971 0.933 -12.996 1.00 0.02 H new ATOM 0 HD12 LEU A 18 13.317 0.627 -11.277 1.00 0.02 H new ATOM 0 HD13 LEU A 18 11.670 1.065 -11.789 1.00 0.02 H new ATOM 0 HD21 LEU A 18 12.559 3.183 -13.813 1.00 51.12 H new ATOM 0 HD22 LEU A 18 11.259 3.496 -12.638 1.00 51.12 H new ATOM 0 HD23 LEU A 18 12.662 4.588 -12.725 1.00 51.12 H new ATOM 264 N LEU A 19 10.822 1.476 -8.294 1.00 13.42 N ATOM 265 CA LEU A 19 10.179 0.238 -7.861 1.00 42.23 C ATOM 266 C LEU A 19 8.697 0.343 -8.064 1.00 10.44 C ATOM 267 O LEU A 19 8.116 -0.489 -8.718 1.00 50.20 O ATOM 268 CB LEU A 19 10.497 -0.132 -6.405 1.00 62.22 C ATOM 269 CG LEU A 19 11.909 -0.640 -6.118 1.00 71.12 C ATOM 270 CD1 LEU A 19 12.070 -0.913 -4.633 1.00 14.02 C ATOM 271 CD2 LEU A 19 12.171 -1.919 -6.904 1.00 31.51 C ATOM 0 H LEU A 19 11.372 1.949 -7.576 1.00 13.42 H new ATOM 0 HA LEU A 19 10.584 -0.566 -8.475 1.00 42.23 H new ATOM 0 HB2 LEU A 19 10.319 0.746 -5.784 1.00 62.22 H new ATOM 0 HB3 LEU A 19 9.789 -0.897 -6.086 1.00 62.22 H new ATOM 0 HG LEU A 19 12.626 0.122 -6.423 1.00 71.12 H new ATOM 0 HD11 LEU A 19 13.079 -1.275 -4.437 1.00 14.02 H new ATOM 0 HD12 LEU A 19 11.899 0.007 -4.073 1.00 14.02 H new ATOM 0 HD13 LEU A 19 11.347 -1.667 -4.321 1.00 14.02 H new ATOM 0 HD21 LEU A 19 13.180 -2.275 -6.694 1.00 31.51 H new ATOM 0 HD22 LEU A 19 11.449 -2.681 -6.610 1.00 31.51 H new ATOM 0 HD23 LEU A 19 12.072 -1.717 -7.971 1.00 31.51 H new ATOM 283 N LYS A 20 8.106 1.407 -7.541 1.00 35.01 N ATOM 284 CA LYS A 20 6.684 1.668 -7.716 1.00 51.11 C ATOM 285 C LYS A 20 6.285 1.577 -9.189 1.00 12.51 C ATOM 286 O LYS A 20 5.367 0.856 -9.529 1.00 14.22 O ATOM 287 CB LYS A 20 6.331 3.044 -7.148 1.00 61.30 C ATOM 288 CG LYS A 20 4.925 3.517 -7.468 1.00 10.51 C ATOM 289 CD LYS A 20 4.668 4.877 -6.865 1.00 4.31 C ATOM 290 CE LYS A 20 3.366 5.471 -7.362 1.00 51.42 C ATOM 291 NZ LYS A 20 3.388 5.700 -8.829 1.00 42.31 N ATOM 0 H LYS A 20 8.594 2.110 -6.987 1.00 35.01 H new ATOM 0 HA LYS A 20 6.125 0.907 -7.172 1.00 51.11 H new ATOM 0 HB2 LYS A 20 6.454 3.018 -6.065 1.00 61.30 H new ATOM 0 HB3 LYS A 20 7.043 3.775 -7.532 1.00 61.30 H new ATOM 0 HG2 LYS A 20 4.788 3.561 -8.548 1.00 10.51 H new ATOM 0 HG3 LYS A 20 4.199 2.801 -7.084 1.00 10.51 H new ATOM 0 HD2 LYS A 20 4.639 4.794 -5.779 1.00 4.31 H new ATOM 0 HD3 LYS A 20 5.492 5.547 -7.112 1.00 4.31 H new ATOM 0 HE2 LYS A 20 2.542 4.803 -7.111 1.00 51.42 H new ATOM 0 HE3 LYS A 20 3.178 6.415 -6.850 1.00 51.42 H new ATOM 0 HZ1 LYS A 20 2.793 6.521 -9.061 1.00 42.31 H new ATOM 0 HZ2 LYS A 20 4.365 5.881 -9.137 1.00 42.31 H new ATOM 0 HZ3 LYS A 20 3.021 4.858 -9.317 1.00 42.31 H new ATOM 305 N ALA A 21 7.027 2.277 -10.044 1.00 40.43 N ATOM 306 CA ALA A 21 6.761 2.319 -11.485 1.00 14.35 C ATOM 307 C ALA A 21 6.704 0.917 -12.109 1.00 44.44 C ATOM 308 O ALA A 21 5.734 0.571 -12.792 1.00 65.32 O ATOM 309 CB ALA A 21 7.808 3.166 -12.189 1.00 11.24 C ATOM 0 H ALA A 21 7.833 2.834 -9.759 1.00 40.43 H new ATOM 0 HA ALA A 21 5.779 2.772 -11.619 1.00 14.35 H new ATOM 0 HB1 ALA A 21 7.599 3.189 -13.258 1.00 11.24 H new ATOM 0 HB2 ALA A 21 7.782 4.181 -11.792 1.00 11.24 H new ATOM 0 HB3 ALA A 21 8.796 2.737 -12.022 1.00 11.24 H new ATOM 315 N GLN A 22 7.725 0.105 -11.853 1.00 40.10 N ATOM 316 CA GLN A 22 7.777 -1.246 -12.426 1.00 44.11 C ATOM 317 C GLN A 22 6.688 -2.128 -11.811 1.00 41.14 C ATOM 318 O GLN A 22 6.132 -3.009 -12.474 1.00 55.52 O ATOM 319 CB GLN A 22 9.166 -1.890 -12.233 1.00 11.24 C ATOM 320 CG GLN A 22 9.544 -2.141 -10.783 1.00 11.15 C ATOM 321 CD GLN A 22 10.920 -2.719 -10.611 1.00 34.33 C ATOM 322 OE1 GLN A 22 11.103 -3.931 -10.608 1.00 43.32 O ATOM 323 NE2 GLN A 22 11.882 -1.868 -10.436 1.00 33.31 N ATOM 0 H GLN A 22 8.520 0.349 -11.262 1.00 40.10 H new ATOM 0 HA GLN A 22 7.598 -1.160 -13.498 1.00 44.11 H new ATOM 0 HB2 GLN A 22 9.192 -2.837 -12.772 1.00 11.24 H new ATOM 0 HB3 GLN A 22 9.919 -1.245 -12.686 1.00 11.24 H new ATOM 0 HG2 GLN A 22 9.482 -1.202 -10.232 1.00 11.15 H new ATOM 0 HG3 GLN A 22 8.816 -2.820 -10.339 1.00 11.15 H new ATOM 0 HE21 GLN A 22 11.686 -0.867 -10.446 1.00 33.31 H new ATOM 0 HE22 GLN A 22 12.835 -2.199 -10.288 1.00 33.31 H new ATOM 332 N GLN A 23 6.361 -1.859 -10.553 1.00 51.15 N ATOM 333 CA GLN A 23 5.360 -2.621 -9.850 1.00 54.51 C ATOM 334 C GLN A 23 3.984 -2.367 -10.387 1.00 34.44 C ATOM 335 O GLN A 23 3.176 -3.270 -10.397 1.00 24.14 O ATOM 336 CB GLN A 23 5.375 -2.351 -8.363 1.00 35.31 C ATOM 337 CG GLN A 23 6.629 -2.789 -7.660 1.00 54.24 C ATOM 338 CD GLN A 23 6.540 -2.518 -6.207 1.00 71.33 C ATOM 339 OE1 GLN A 23 6.026 -3.451 -5.496 1.00 42.25 O flip ATOM 340 NE2 GLN A 23 6.929 -1.465 -5.727 1.00 51.01 N flip ATOM 0 H GLN A 23 6.783 -1.111 -10.003 1.00 51.15 H new ATOM 0 HA GLN A 23 5.615 -3.668 -10.014 1.00 54.51 H new ATOM 0 HB2 GLN A 23 5.237 -1.282 -8.200 1.00 35.31 H new ATOM 0 HB3 GLN A 23 4.523 -2.856 -7.907 1.00 35.31 H new ATOM 0 HG2 GLN A 23 6.791 -3.854 -7.826 1.00 54.24 H new ATOM 0 HG3 GLN A 23 7.488 -2.266 -8.080 1.00 54.24 H new ATOM 0 HE21 GLN A 23 7.332 -0.748 -6.330 1.00 51.01 H new ATOM 0 HE22 GLN A 23 6.851 -1.302 -4.723 1.00 51.01 H new ATOM 349 N GLU A 24 3.725 -1.140 -10.842 1.00 4.02 N ATOM 350 CA GLU A 24 2.407 -0.760 -11.373 1.00 32.34 C ATOM 351 C GLU A 24 1.960 -1.726 -12.468 1.00 72.11 C ATOM 352 O GLU A 24 0.795 -2.108 -12.532 1.00 74.13 O ATOM 353 CB GLU A 24 2.420 0.691 -11.882 1.00 41.13 C ATOM 354 CG GLU A 24 2.825 1.691 -10.808 1.00 11.31 C ATOM 355 CD GLU A 24 2.838 3.123 -11.270 1.00 2.22 C ATOM 356 OE1 GLU A 24 3.476 3.426 -12.288 1.00 2.25 O ATOM 357 OE2 GLU A 24 2.250 3.985 -10.572 1.00 71.40 O ATOM 0 H GLU A 24 4.412 -0.386 -10.855 1.00 4.02 H new ATOM 0 HA GLU A 24 1.683 -0.822 -10.560 1.00 32.34 H new ATOM 0 HB2 GLU A 24 3.109 0.770 -12.723 1.00 41.13 H new ATOM 0 HB3 GLU A 24 1.429 0.949 -12.256 1.00 41.13 H new ATOM 0 HG2 GLU A 24 2.140 1.599 -9.965 1.00 11.31 H new ATOM 0 HG3 GLU A 24 3.818 1.431 -10.441 1.00 11.31 H new ATOM 364 N GLU A 25 2.915 -2.159 -13.282 1.00 53.33 N ATOM 365 CA GLU A 25 2.656 -3.121 -14.340 1.00 72.12 C ATOM 366 C GLU A 25 2.238 -4.474 -13.750 1.00 61.45 C ATOM 367 O GLU A 25 1.283 -5.096 -14.206 1.00 22.21 O ATOM 368 CB GLU A 25 3.907 -3.302 -15.198 1.00 41.22 C ATOM 369 CG GLU A 25 3.756 -4.337 -16.297 1.00 40.12 C ATOM 370 CD GLU A 25 5.010 -4.517 -17.092 1.00 1.13 C ATOM 371 OE1 GLU A 25 5.851 -5.344 -16.704 1.00 4.32 O ATOM 372 OE2 GLU A 25 5.173 -3.831 -18.123 1.00 60.15 O ATOM 0 H GLU A 25 3.886 -1.853 -13.226 1.00 53.33 H new ATOM 0 HA GLU A 25 1.843 -2.741 -14.958 1.00 72.12 H new ATOM 0 HB2 GLU A 25 4.168 -2.344 -15.648 1.00 41.22 H new ATOM 0 HB3 GLU A 25 4.738 -3.589 -14.554 1.00 41.22 H new ATOM 0 HG2 GLU A 25 3.470 -5.292 -15.856 1.00 40.12 H new ATOM 0 HG3 GLU A 25 2.947 -4.039 -16.964 1.00 40.12 H new ATOM 379 N ARG A 26 2.947 -4.902 -12.723 1.00 51.34 N ATOM 380 CA ARG A 26 2.699 -6.193 -12.103 1.00 50.04 C ATOM 381 C ARG A 26 1.453 -6.176 -11.237 1.00 74.40 C ATOM 382 O ARG A 26 0.750 -7.167 -11.152 1.00 42.35 O ATOM 383 CB ARG A 26 3.921 -6.677 -11.329 1.00 2.42 C ATOM 384 CG ARG A 26 5.157 -6.841 -12.203 1.00 61.11 C ATOM 385 CD ARG A 26 4.904 -7.830 -13.334 1.00 61.41 C ATOM 386 NE ARG A 26 6.062 -7.981 -14.212 1.00 0.55 N ATOM 387 CZ ARG A 26 6.069 -8.683 -15.348 1.00 70.43 C ATOM 388 NH1 ARG A 26 4.961 -9.297 -15.764 1.00 62.01 N ATOM 389 NH2 ARG A 26 7.177 -8.766 -16.070 1.00 12.14 N ATOM 0 H ARG A 26 3.706 -4.371 -12.296 1.00 51.34 H new ATOM 0 HA ARG A 26 2.514 -6.909 -12.904 1.00 50.04 H new ATOM 0 HB2 ARG A 26 4.140 -5.970 -10.529 1.00 2.42 H new ATOM 0 HB3 ARG A 26 3.689 -7.631 -10.856 1.00 2.42 H new ATOM 0 HG2 ARG A 26 5.443 -5.875 -12.618 1.00 61.11 H new ATOM 0 HG3 ARG A 26 5.993 -7.186 -11.595 1.00 61.11 H new ATOM 0 HD2 ARG A 26 4.642 -8.800 -12.912 1.00 61.41 H new ATOM 0 HD3 ARG A 26 4.048 -7.496 -13.920 1.00 61.41 H new ATOM 0 HE ARG A 26 6.928 -7.517 -13.937 1.00 0.55 H new ATOM 0 HH11 ARG A 26 4.104 -9.231 -15.214 1.00 62.01 H new ATOM 0 HH12 ARG A 26 4.970 -9.832 -16.632 1.00 62.01 H new ATOM 0 HH21 ARG A 26 8.025 -8.293 -15.758 1.00 12.14 H new ATOM 0 HH22 ARG A 26 7.181 -9.302 -16.938 1.00 12.14 H new ATOM 403 N LEU A 27 1.184 -5.047 -10.613 1.00 3.32 N ATOM 404 CA LEU A 27 -0.029 -4.860 -9.820 1.00 61.05 C ATOM 405 C LEU A 27 -1.241 -4.998 -10.729 1.00 62.21 C ATOM 406 O LEU A 27 -2.230 -5.655 -10.395 1.00 61.21 O ATOM 407 CB LEU A 27 -0.010 -3.467 -9.157 1.00 23.22 C ATOM 408 CG LEU A 27 1.122 -3.210 -8.143 1.00 65.21 C ATOM 409 CD1 LEU A 27 1.089 -1.782 -7.661 1.00 1.32 C ATOM 410 CD2 LEU A 27 0.976 -4.125 -6.973 1.00 34.11 C ATOM 0 H LEU A 27 1.795 -4.230 -10.637 1.00 3.32 H new ATOM 0 HA LEU A 27 -0.079 -5.615 -9.036 1.00 61.05 H new ATOM 0 HB2 LEU A 27 0.057 -2.715 -9.943 1.00 23.22 H new ATOM 0 HB3 LEU A 27 -0.964 -3.316 -8.651 1.00 23.22 H new ATOM 0 HG LEU A 27 2.074 -3.397 -8.640 1.00 65.21 H new ATOM 0 HD11 LEU A 27 1.896 -1.621 -6.946 1.00 1.32 H new ATOM 0 HD12 LEU A 27 1.215 -1.109 -8.509 1.00 1.32 H new ATOM 0 HD13 LEU A 27 0.132 -1.583 -7.179 1.00 1.32 H new ATOM 0 HD21 LEU A 27 1.780 -3.937 -6.261 1.00 34.11 H new ATOM 0 HD22 LEU A 27 0.015 -3.948 -6.490 1.00 34.11 H new ATOM 0 HD23 LEU A 27 1.026 -5.160 -7.312 1.00 34.11 H new ATOM 422 N ASP A 28 -1.107 -4.404 -11.904 1.00 41.34 N ATOM 423 CA ASP A 28 -2.113 -4.450 -12.957 1.00 1.31 C ATOM 424 C ASP A 28 -2.333 -5.910 -13.400 1.00 5.13 C ATOM 425 O ASP A 28 -3.459 -6.337 -13.667 1.00 4.24 O ATOM 426 CB ASP A 28 -1.607 -3.589 -14.124 1.00 43.22 C ATOM 427 CG ASP A 28 -2.554 -3.462 -15.284 1.00 2.34 C ATOM 428 OD1 ASP A 28 -3.483 -2.624 -15.210 1.00 41.32 O ATOM 429 OD2 ASP A 28 -2.357 -4.155 -16.311 1.00 72.04 O ATOM 0 H ASP A 28 -0.279 -3.865 -12.159 1.00 41.34 H new ATOM 0 HA ASP A 28 -3.069 -4.063 -12.603 1.00 1.31 H new ATOM 0 HB2 ASP A 28 -1.383 -2.591 -13.748 1.00 43.22 H new ATOM 0 HB3 ASP A 28 -0.669 -4.011 -14.486 1.00 43.22 H new ATOM 434 N GLU A 29 -1.241 -6.674 -13.408 1.00 13.41 N ATOM 435 CA GLU A 29 -1.260 -8.092 -13.776 1.00 13.11 C ATOM 436 C GLU A 29 -1.992 -8.929 -12.755 1.00 31.14 C ATOM 437 O GLU A 29 -2.805 -9.776 -13.120 1.00 61.41 O ATOM 438 CB GLU A 29 0.161 -8.632 -13.954 1.00 24.44 C ATOM 439 CG GLU A 29 0.882 -8.112 -15.178 1.00 63.04 C ATOM 440 CD GLU A 29 0.235 -8.595 -16.449 1.00 22.04 C ATOM 441 OE1 GLU A 29 0.554 -9.711 -16.887 1.00 3.43 O ATOM 442 OE2 GLU A 29 -0.589 -7.881 -17.029 1.00 73.14 O ATOM 0 H GLU A 29 -0.315 -6.327 -13.159 1.00 13.41 H new ATOM 0 HA GLU A 29 -1.793 -8.163 -14.724 1.00 13.11 H new ATOM 0 HB2 GLU A 29 0.745 -8.379 -13.069 1.00 24.44 H new ATOM 0 HB3 GLU A 29 0.118 -9.720 -14.008 1.00 24.44 H new ATOM 0 HG2 GLU A 29 0.887 -7.022 -15.163 1.00 63.04 H new ATOM 0 HG3 GLU A 29 1.923 -8.436 -15.153 1.00 63.04 H new ATOM 449 N ILE A 30 -1.715 -8.682 -11.480 1.00 42.25 N ATOM 450 CA ILE A 30 -2.304 -9.461 -10.396 1.00 3.12 C ATOM 451 C ILE A 30 -3.829 -9.464 -10.480 1.00 1.24 C ATOM 452 O ILE A 30 -4.458 -10.525 -10.392 1.00 1.41 O ATOM 453 CB ILE A 30 -1.834 -8.977 -8.994 1.00 31.43 C ATOM 454 CG1 ILE A 30 -0.302 -9.032 -8.911 1.00 12.14 C ATOM 455 CG2 ILE A 30 -2.438 -9.864 -7.911 1.00 11.42 C ATOM 456 CD1 ILE A 30 0.280 -8.528 -7.602 1.00 45.21 C ATOM 0 H ILE A 30 -1.083 -7.944 -11.170 1.00 42.25 H new ATOM 0 HA ILE A 30 -1.949 -10.484 -10.521 1.00 3.12 H new ATOM 0 HB ILE A 30 -2.165 -7.950 -8.843 1.00 31.43 H new ATOM 0 HG12 ILE A 30 0.020 -10.062 -9.064 1.00 12.14 H new ATOM 0 HG13 ILE A 30 0.114 -8.444 -9.729 1.00 12.14 H new ATOM 0 HG21 ILE A 30 -2.105 -9.520 -6.932 1.00 11.42 H new ATOM 0 HG22 ILE A 30 -3.526 -9.813 -7.963 1.00 11.42 H new ATOM 0 HG23 ILE A 30 -2.116 -10.894 -8.063 1.00 11.42 H new ATOM 0 HD11 ILE A 30 1.367 -8.604 -7.634 1.00 45.21 H new ATOM 0 HD12 ILE A 30 -0.007 -7.487 -7.453 1.00 45.21 H new ATOM 0 HD13 ILE A 30 -0.102 -9.131 -6.778 1.00 45.21 H new ATOM 468 N ASN A 31 -4.405 -8.296 -10.706 1.00 74.44 N ATOM 469 CA ASN A 31 -5.862 -8.165 -10.825 1.00 21.41 C ATOM 470 C ASN A 31 -6.383 -8.985 -11.942 1.00 61.24 C ATOM 471 O ASN A 31 -7.306 -9.752 -11.775 1.00 63.40 O ATOM 472 CB ASN A 31 -6.274 -6.748 -11.114 1.00 2.03 C ATOM 473 CG ASN A 31 -5.970 -5.804 -10.029 1.00 34.02 C ATOM 474 OD1 ASN A 31 -5.919 -6.166 -8.852 1.00 33.53 O ATOM 475 ND2 ASN A 31 -5.819 -4.587 -10.387 1.00 1.11 N ATOM 0 H ASN A 31 -3.893 -7.420 -10.812 1.00 74.44 H new ATOM 0 HA ASN A 31 -6.267 -8.496 -9.869 1.00 21.41 H new ATOM 0 HB2 ASN A 31 -5.775 -6.414 -12.023 1.00 2.03 H new ATOM 0 HB3 ASN A 31 -7.346 -6.725 -11.312 1.00 2.03 H new ATOM 0 HD21 ASN A 31 -5.648 -3.867 -9.686 1.00 1.11 H new ATOM 0 HD22 ASN A 31 -5.870 -4.336 -11.374 1.00 1.11 H new ATOM 482 N LYS A 32 -5.763 -8.835 -13.078 1.00 64.21 N ATOM 483 CA LYS A 32 -6.175 -9.495 -14.295 1.00 52.31 C ATOM 484 C LYS A 32 -6.109 -11.004 -14.183 1.00 61.54 C ATOM 485 O LYS A 32 -6.872 -11.700 -14.807 1.00 11.33 O ATOM 486 CB LYS A 32 -5.387 -8.946 -15.470 1.00 14.33 C ATOM 487 CG LYS A 32 -5.719 -7.476 -15.713 1.00 64.14 C ATOM 488 CD LYS A 32 -4.864 -6.834 -16.782 1.00 13.33 C ATOM 489 CE LYS A 32 -5.303 -5.390 -16.999 1.00 11.10 C ATOM 490 NZ LYS A 32 -4.429 -4.670 -17.941 1.00 34.30 N ATOM 0 H LYS A 32 -4.942 -8.241 -13.192 1.00 64.21 H new ATOM 0 HA LYS A 32 -7.228 -9.275 -14.472 1.00 52.31 H new ATOM 0 HB2 LYS A 32 -4.319 -9.054 -15.279 1.00 14.33 H new ATOM 0 HB3 LYS A 32 -5.611 -9.526 -16.365 1.00 14.33 H new ATOM 0 HG2 LYS A 32 -6.768 -7.391 -15.998 1.00 64.14 H new ATOM 0 HG3 LYS A 32 -5.596 -6.925 -14.781 1.00 64.14 H new ATOM 0 HD2 LYS A 32 -3.815 -6.864 -16.488 1.00 13.33 H new ATOM 0 HD3 LYS A 32 -4.950 -7.393 -17.714 1.00 13.33 H new ATOM 0 HE2 LYS A 32 -6.326 -5.377 -17.375 1.00 11.10 H new ATOM 0 HE3 LYS A 32 -5.309 -4.868 -16.042 1.00 11.10 H new ATOM 0 HZ1 LYS A 32 -4.808 -3.716 -18.106 1.00 34.30 H new ATOM 0 HZ2 LYS A 32 -3.472 -4.598 -17.541 1.00 34.30 H new ATOM 0 HZ3 LYS A 32 -4.389 -5.188 -18.842 1.00 34.30 H new ATOM 504 N GLN A 33 -5.219 -11.486 -13.353 1.00 60.43 N ATOM 505 CA GLN A 33 -5.089 -12.908 -13.088 1.00 44.33 C ATOM 506 C GLN A 33 -6.257 -13.415 -12.207 1.00 55.55 C ATOM 507 O GLN A 33 -6.773 -14.524 -12.418 1.00 61.21 O ATOM 508 CB GLN A 33 -3.726 -13.180 -12.473 1.00 32.02 C ATOM 509 CG GLN A 33 -2.582 -12.849 -13.442 1.00 73.13 C ATOM 510 CD GLN A 33 -1.220 -12.759 -12.785 1.00 13.03 C ATOM 511 OE1 GLN A 33 -1.195 -12.309 -11.568 1.00 23.30 O flip ATOM 512 NE2 GLN A 33 -0.189 -13.054 -13.401 1.00 71.30 N flip ATOM 0 H GLN A 33 -4.558 -10.906 -12.837 1.00 60.43 H new ATOM 0 HA GLN A 33 -5.152 -13.466 -14.022 1.00 44.33 H new ATOM 0 HB2 GLN A 33 -3.614 -12.589 -11.564 1.00 32.02 H new ATOM 0 HB3 GLN A 33 -3.662 -14.228 -12.181 1.00 32.02 H new ATOM 0 HG2 GLN A 33 -2.548 -13.611 -14.221 1.00 73.13 H new ATOM 0 HG3 GLN A 33 -2.800 -11.901 -13.933 1.00 73.13 H new ATOM 0 HE21 GLN A 33 -0.249 -13.405 -14.357 1.00 71.30 H new ATOM 0 HE22 GLN A 33 0.721 -12.946 -12.953 1.00 71.30 H new ATOM 521 N PHE A 34 -6.677 -12.605 -11.225 1.00 44.23 N ATOM 522 CA PHE A 34 -7.872 -12.929 -10.427 1.00 31.25 C ATOM 523 C PHE A 34 -9.141 -12.729 -11.246 1.00 22.53 C ATOM 524 O PHE A 34 -10.088 -13.504 -11.153 1.00 32.23 O ATOM 525 CB PHE A 34 -7.945 -12.128 -9.114 1.00 73.11 C ATOM 526 CG PHE A 34 -6.962 -12.562 -8.059 1.00 50.51 C ATOM 527 CD1 PHE A 34 -7.292 -13.577 -7.176 1.00 42.22 C ATOM 528 CD2 PHE A 34 -5.728 -11.955 -7.937 1.00 62.24 C ATOM 529 CE1 PHE A 34 -6.408 -13.981 -6.197 1.00 42.22 C ATOM 530 CE2 PHE A 34 -4.836 -12.357 -6.957 1.00 0.54 C ATOM 531 CZ PHE A 34 -5.179 -13.369 -6.086 1.00 33.41 C ATOM 0 H PHE A 34 -6.216 -11.733 -10.965 1.00 44.23 H new ATOM 0 HA PHE A 34 -7.789 -13.981 -10.154 1.00 31.25 H new ATOM 0 HB2 PHE A 34 -7.777 -11.074 -9.337 1.00 73.11 H new ATOM 0 HB3 PHE A 34 -8.953 -12.211 -8.709 1.00 73.11 H new ATOM 0 HD1 PHE A 34 -8.255 -14.059 -7.255 1.00 42.22 H new ATOM 0 HD2 PHE A 34 -5.455 -11.158 -8.613 1.00 62.24 H new ATOM 0 HE1 PHE A 34 -6.679 -14.776 -5.518 1.00 42.22 H new ATOM 0 HE2 PHE A 34 -3.872 -11.878 -6.875 1.00 0.54 H new ATOM 0 HZ PHE A 34 -4.486 -13.681 -5.319 1.00 33.41 H new ATOM 541 N LEU A 35 -9.127 -11.688 -12.069 1.00 1.00 N ATOM 542 CA LEU A 35 -10.236 -11.337 -12.953 1.00 51.10 C ATOM 543 C LEU A 35 -10.394 -12.447 -14.013 1.00 1.14 C ATOM 544 O LEU A 35 -11.460 -12.650 -14.587 1.00 60.41 O ATOM 545 CB LEU A 35 -9.908 -9.958 -13.609 1.00 24.40 C ATOM 546 CG LEU A 35 -10.993 -9.206 -14.440 1.00 12.35 C ATOM 547 CD1 LEU A 35 -10.522 -7.786 -14.709 1.00 45.42 C ATOM 548 CD2 LEU A 35 -11.261 -9.879 -15.783 1.00 52.03 C ATOM 0 H LEU A 35 -8.333 -11.052 -12.144 1.00 1.00 H new ATOM 0 HA LEU A 35 -11.176 -11.254 -12.408 1.00 51.10 H new ATOM 0 HB2 LEU A 35 -9.591 -9.288 -12.810 1.00 24.40 H new ATOM 0 HB3 LEU A 35 -9.047 -10.107 -14.261 1.00 24.40 H new ATOM 0 HG LEU A 35 -11.914 -9.218 -13.858 1.00 12.35 H new ATOM 0 HD11 LEU A 35 -11.277 -7.256 -15.290 1.00 45.42 H new ATOM 0 HD12 LEU A 35 -10.364 -7.270 -13.762 1.00 45.42 H new ATOM 0 HD13 LEU A 35 -9.587 -7.813 -15.268 1.00 45.42 H new ATOM 0 HD21 LEU A 35 -12.023 -9.319 -16.325 1.00 52.03 H new ATOM 0 HD22 LEU A 35 -10.342 -9.901 -16.369 1.00 52.03 H new ATOM 0 HD23 LEU A 35 -11.610 -10.898 -15.616 1.00 52.03 H new ATOM 560 N ASP A 36 -9.314 -13.153 -14.241 1.00 55.41 N ATOM 561 CA ASP A 36 -9.242 -14.246 -15.198 1.00 64.34 C ATOM 562 C ASP A 36 -9.892 -15.514 -14.653 1.00 12.42 C ATOM 563 O ASP A 36 -10.263 -16.405 -15.413 1.00 31.20 O ATOM 564 CB ASP A 36 -7.768 -14.506 -15.553 1.00 23.31 C ATOM 565 CG ASP A 36 -7.527 -15.687 -16.464 1.00 54.02 C ATOM 566 OD1 ASP A 36 -7.772 -15.578 -17.678 1.00 1.45 O ATOM 567 OD2 ASP A 36 -7.016 -16.729 -15.978 1.00 52.24 O ATOM 0 H ASP A 36 -8.433 -12.984 -13.756 1.00 55.41 H new ATOM 0 HA ASP A 36 -9.793 -13.962 -16.094 1.00 64.34 H new ATOM 0 HB2 ASP A 36 -7.361 -13.613 -16.027 1.00 23.31 H new ATOM 0 HB3 ASP A 36 -7.210 -14.659 -14.630 1.00 23.31 H new ATOM 572 N ASP A 37 -10.054 -15.594 -13.350 1.00 33.23 N ATOM 573 CA ASP A 37 -10.611 -16.800 -12.767 1.00 43.43 C ATOM 574 C ASP A 37 -12.118 -16.648 -12.558 1.00 33.31 C ATOM 575 O ASP A 37 -12.567 -15.765 -11.816 1.00 51.44 O ATOM 576 CB ASP A 37 -9.927 -17.158 -11.459 1.00 71.31 C ATOM 577 CG ASP A 37 -10.384 -18.502 -10.937 1.00 0.31 C ATOM 578 OD1 ASP A 37 -11.496 -18.607 -10.387 1.00 50.41 O ATOM 579 OD2 ASP A 37 -9.630 -19.477 -11.074 1.00 30.40 O ATOM 0 H ASP A 37 -9.815 -14.858 -12.685 1.00 33.23 H new ATOM 0 HA ASP A 37 -10.433 -17.616 -13.467 1.00 43.43 H new ATOM 0 HB2 ASP A 37 -8.847 -17.173 -11.606 1.00 71.31 H new ATOM 0 HB3 ASP A 37 -10.137 -16.389 -10.716 1.00 71.31 H new ATOM 584 N PRO A 38 -12.915 -17.524 -13.183 1.00 62.21 N ATOM 585 CA PRO A 38 -14.388 -17.443 -13.171 1.00 2.42 C ATOM 586 C PRO A 38 -15.049 -17.703 -11.806 1.00 5.02 C ATOM 587 O PRO A 38 -16.264 -17.590 -11.682 1.00 51.53 O ATOM 588 CB PRO A 38 -14.805 -18.517 -14.169 1.00 12.51 C ATOM 589 CG PRO A 38 -13.693 -19.494 -14.137 1.00 74.02 C ATOM 590 CD PRO A 38 -12.450 -18.686 -13.971 1.00 33.43 C ATOM 0 HA PRO A 38 -14.710 -16.431 -13.415 1.00 2.42 H new ATOM 0 HB2 PRO A 38 -15.750 -18.980 -13.884 1.00 12.51 H new ATOM 0 HB3 PRO A 38 -14.941 -18.101 -15.167 1.00 12.51 H new ATOM 0 HG2 PRO A 38 -13.815 -20.199 -13.314 1.00 74.02 H new ATOM 0 HG3 PRO A 38 -13.660 -20.079 -15.056 1.00 74.02 H new ATOM 0 HD2 PRO A 38 -11.672 -19.243 -13.449 1.00 33.43 H new ATOM 0 HD3 PRO A 38 -12.034 -18.382 -14.932 1.00 33.43 H new ATOM 598 N LYS A 39 -14.273 -18.052 -10.786 1.00 25.44 N ATOM 599 CA LYS A 39 -14.855 -18.273 -9.464 1.00 14.03 C ATOM 600 C LYS A 39 -15.039 -16.902 -8.813 1.00 2.44 C ATOM 601 O LYS A 39 -15.879 -16.700 -7.937 1.00 42.41 O ATOM 602 CB LYS A 39 -13.928 -19.205 -8.640 1.00 52.51 C ATOM 603 CG LYS A 39 -14.560 -19.923 -7.417 1.00 35.31 C ATOM 604 CD LYS A 39 -14.811 -19.042 -6.190 1.00 61.25 C ATOM 605 CE LYS A 39 -13.511 -18.605 -5.522 1.00 63.12 C ATOM 606 NZ LYS A 39 -13.756 -17.894 -4.241 1.00 60.40 N ATOM 0 H LYS A 39 -13.263 -18.186 -10.843 1.00 25.44 H new ATOM 0 HA LYS A 39 -15.824 -18.768 -9.522 1.00 14.03 H new ATOM 0 HB2 LYS A 39 -13.529 -19.966 -9.311 1.00 52.51 H new ATOM 0 HB3 LYS A 39 -13.082 -18.616 -8.287 1.00 52.51 H new ATOM 0 HG2 LYS A 39 -15.508 -20.363 -7.726 1.00 35.31 H new ATOM 0 HG3 LYS A 39 -13.908 -20.746 -7.124 1.00 35.31 H new ATOM 0 HD2 LYS A 39 -15.379 -18.161 -6.487 1.00 61.25 H new ATOM 0 HD3 LYS A 39 -15.422 -19.588 -5.471 1.00 61.25 H new ATOM 0 HE2 LYS A 39 -12.886 -19.479 -5.338 1.00 63.12 H new ATOM 0 HE3 LYS A 39 -12.957 -17.954 -6.198 1.00 63.12 H new ATOM 0 HZ1 LYS A 39 -12.847 -17.614 -3.820 1.00 60.40 H new ATOM 0 HZ2 LYS A 39 -14.331 -17.046 -4.419 1.00 60.40 H new ATOM 0 HZ3 LYS A 39 -14.262 -18.524 -3.586 1.00 60.40 H new ATOM 620 N TYR A 40 -14.252 -15.960 -9.290 1.00 24.54 N ATOM 621 CA TYR A 40 -14.307 -14.592 -8.825 1.00 13.31 C ATOM 622 C TYR A 40 -14.973 -13.754 -9.881 1.00 14.34 C ATOM 623 O TYR A 40 -15.817 -12.894 -9.592 1.00 21.21 O ATOM 624 CB TYR A 40 -12.894 -14.056 -8.622 1.00 44.44 C ATOM 625 CG TYR A 40 -12.054 -14.898 -7.722 1.00 70.00 C ATOM 626 CD1 TYR A 40 -11.338 -15.959 -8.234 1.00 71.20 C ATOM 627 CD2 TYR A 40 -11.978 -14.645 -6.374 1.00 21.52 C ATOM 628 CE1 TYR A 40 -10.572 -16.750 -7.436 1.00 74.50 C ATOM 629 CE2 TYR A 40 -11.207 -15.430 -5.558 1.00 23.24 C ATOM 630 CZ TYR A 40 -10.505 -16.485 -6.098 1.00 4.24 C ATOM 631 OH TYR A 40 -9.748 -17.276 -5.303 1.00 0.51 O ATOM 0 H TYR A 40 -13.553 -16.124 -10.015 1.00 24.54 H new ATOM 0 HA TYR A 40 -14.858 -14.553 -7.885 1.00 13.31 H new ATOM 0 HB2 TYR A 40 -12.403 -13.976 -9.592 1.00 44.44 H new ATOM 0 HB3 TYR A 40 -12.953 -13.048 -8.211 1.00 44.44 H new ATOM 0 HD1 TYR A 40 -11.387 -16.167 -9.293 1.00 71.20 H new ATOM 0 HD2 TYR A 40 -12.532 -13.819 -5.953 1.00 21.52 H new ATOM 0 HE1 TYR A 40 -10.022 -17.579 -7.856 1.00 74.50 H new ATOM 0 HE2 TYR A 40 -11.150 -15.223 -4.499 1.00 23.24 H new ATOM 0 HH TYR A 40 -8.995 -17.634 -5.819 1.00 0.51 H new ATOM 641 N SER A 41 -14.589 -14.019 -11.112 1.00 23.30 N ATOM 642 CA SER A 41 -15.056 -13.288 -12.248 1.00 33.11 C ATOM 643 C SER A 41 -16.477 -13.710 -12.596 1.00 14.22 C ATOM 644 O SER A 41 -16.705 -14.582 -13.440 1.00 44.43 O ATOM 645 CB SER A 41 -14.097 -13.488 -13.430 1.00 31.21 C ATOM 646 OG SER A 41 -14.391 -12.651 -14.539 1.00 70.03 O ATOM 0 H SER A 41 -13.932 -14.764 -11.344 1.00 23.30 H new ATOM 0 HA SER A 41 -15.077 -12.224 -12.012 1.00 33.11 H new ATOM 0 HB2 SER A 41 -13.077 -13.295 -13.098 1.00 31.21 H new ATOM 0 HB3 SER A 41 -14.137 -14.530 -13.749 1.00 31.21 H new ATOM 0 HG SER A 41 -13.555 -12.349 -14.952 1.00 70.03 H new ATOM 652 N SER A 42 -17.397 -13.169 -11.852 1.00 43.23 N ATOM 653 CA SER A 42 -18.798 -13.381 -12.040 1.00 55.53 C ATOM 654 C SER A 42 -19.574 -12.285 -11.329 1.00 13.45 C ATOM 655 O SER A 42 -20.805 -12.346 -11.208 1.00 13.10 O ATOM 656 CB SER A 42 -19.183 -14.767 -11.498 1.00 52.24 C ATOM 657 OG SER A 42 -18.729 -14.944 -10.151 1.00 31.11 O ATOM 0 H SER A 42 -17.183 -12.548 -11.072 1.00 43.23 H new ATOM 0 HA SER A 42 -19.042 -13.345 -13.102 1.00 55.53 H new ATOM 0 HB2 SER A 42 -20.266 -14.887 -11.538 1.00 52.24 H new ATOM 0 HB3 SER A 42 -18.753 -15.541 -12.134 1.00 52.24 H new ATOM 0 HG SER A 42 -18.989 -15.833 -9.832 1.00 31.11 H new ATOM 663 N ASP A 43 -18.864 -11.274 -10.858 1.00 41.42 N ATOM 664 CA ASP A 43 -19.473 -10.206 -10.137 1.00 30.12 C ATOM 665 C ASP A 43 -19.049 -8.904 -10.776 1.00 35.31 C ATOM 666 O ASP A 43 -17.954 -8.827 -11.301 1.00 74.13 O ATOM 667 CB ASP A 43 -19.014 -10.287 -8.685 1.00 64.44 C ATOM 668 CG ASP A 43 -19.610 -9.235 -7.816 1.00 44.13 C ATOM 669 OD1 ASP A 43 -20.798 -9.339 -7.476 1.00 4.12 O ATOM 670 OD2 ASP A 43 -18.904 -8.313 -7.446 1.00 75.34 O ATOM 0 H ASP A 43 -17.854 -11.184 -10.972 1.00 41.42 H new ATOM 0 HA ASP A 43 -20.561 -10.270 -10.162 1.00 30.12 H new ATOM 0 HB2 ASP A 43 -19.272 -11.267 -8.285 1.00 64.44 H new ATOM 0 HB3 ASP A 43 -17.928 -10.204 -8.650 1.00 64.44 H new ATOM 675 N GLU A 44 -19.915 -7.913 -10.779 1.00 12.43 N ATOM 676 CA GLU A 44 -19.617 -6.621 -11.405 1.00 75.01 C ATOM 677 C GLU A 44 -18.649 -5.818 -10.572 1.00 52.11 C ATOM 678 O GLU A 44 -17.808 -5.073 -11.099 1.00 50.24 O ATOM 679 CB GLU A 44 -20.901 -5.824 -11.621 1.00 3.22 C ATOM 680 CG GLU A 44 -21.847 -6.444 -12.619 1.00 52.25 C ATOM 681 CD GLU A 44 -21.216 -6.538 -13.979 1.00 74.33 C ATOM 682 OE1 GLU A 44 -21.250 -5.534 -14.730 1.00 43.14 O ATOM 683 OE2 GLU A 44 -20.661 -7.601 -14.319 1.00 2.41 O ATOM 0 H GLU A 44 -20.841 -7.968 -10.354 1.00 12.43 H new ATOM 0 HA GLU A 44 -19.153 -6.821 -12.371 1.00 75.01 H new ATOM 0 HB2 GLU A 44 -21.415 -5.717 -10.666 1.00 3.22 H new ATOM 0 HB3 GLU A 44 -20.641 -4.820 -11.957 1.00 3.22 H new ATOM 0 HG2 GLU A 44 -22.137 -7.439 -12.280 1.00 52.25 H new ATOM 0 HG3 GLU A 44 -22.758 -5.849 -12.678 1.00 52.25 H new ATOM 690 N ASP A 45 -18.742 -5.983 -9.287 1.00 52.33 N ATOM 691 CA ASP A 45 -17.895 -5.267 -8.376 1.00 53.32 C ATOM 692 C ASP A 45 -16.510 -5.880 -8.383 1.00 14.21 C ATOM 693 O ASP A 45 -15.536 -5.200 -8.133 1.00 33.33 O ATOM 694 CB ASP A 45 -18.484 -5.273 -6.950 1.00 43.20 C ATOM 695 CG ASP A 45 -19.855 -4.619 -6.859 1.00 73.41 C ATOM 696 OD1 ASP A 45 -20.871 -5.291 -7.120 1.00 31.31 O ATOM 697 OD2 ASP A 45 -19.939 -3.424 -6.506 1.00 72.43 O ATOM 0 H ASP A 45 -19.405 -6.616 -8.839 1.00 52.33 H new ATOM 0 HA ASP A 45 -17.829 -4.229 -8.702 1.00 53.32 H new ATOM 0 HB2 ASP A 45 -18.557 -6.303 -6.599 1.00 43.20 H new ATOM 0 HB3 ASP A 45 -17.798 -4.756 -6.279 1.00 43.20 H new ATOM 702 N LEU A 46 -16.436 -7.168 -8.720 1.00 2.34 N ATOM 703 CA LEU A 46 -15.176 -7.910 -8.741 1.00 1.30 C ATOM 704 C LEU A 46 -14.056 -7.211 -9.575 1.00 70.30 C ATOM 705 O LEU A 46 -13.033 -6.840 -9.007 1.00 60.50 O ATOM 706 CB LEU A 46 -15.412 -9.409 -9.111 1.00 71.21 C ATOM 707 CG LEU A 46 -14.201 -10.394 -9.113 1.00 41.31 C ATOM 708 CD1 LEU A 46 -13.284 -10.203 -10.308 1.00 45.51 C ATOM 709 CD2 LEU A 46 -13.414 -10.291 -7.810 1.00 4.21 C ATOM 0 H LEU A 46 -17.248 -7.726 -8.986 1.00 2.34 H new ATOM 0 HA LEU A 46 -14.779 -7.904 -7.726 1.00 1.30 H new ATOM 0 HB2 LEU A 46 -16.155 -9.804 -8.419 1.00 71.21 H new ATOM 0 HB3 LEU A 46 -15.857 -9.435 -10.106 1.00 71.21 H new ATOM 0 HG LEU A 46 -14.620 -11.397 -9.196 1.00 41.31 H new ATOM 0 HD11 LEU A 46 -12.461 -10.916 -10.253 1.00 45.51 H new ATOM 0 HD12 LEU A 46 -13.846 -10.367 -11.228 1.00 45.51 H new ATOM 0 HD13 LEU A 46 -12.886 -9.188 -10.302 1.00 45.51 H new ATOM 0 HD21 LEU A 46 -12.575 -10.987 -7.835 1.00 4.21 H new ATOM 0 HD22 LEU A 46 -13.039 -9.275 -7.691 1.00 4.21 H new ATOM 0 HD23 LEU A 46 -14.065 -10.538 -6.971 1.00 4.21 H new ATOM 721 N PRO A 47 -14.228 -6.987 -10.919 1.00 2.05 N ATOM 722 CA PRO A 47 -13.196 -6.320 -11.728 1.00 3.12 C ATOM 723 C PRO A 47 -13.016 -4.867 -11.305 1.00 64.13 C ATOM 724 O PRO A 47 -11.936 -4.298 -11.430 1.00 32.31 O ATOM 725 CB PRO A 47 -13.749 -6.393 -13.159 1.00 24.42 C ATOM 726 CG PRO A 47 -15.218 -6.566 -12.991 1.00 14.21 C ATOM 727 CD PRO A 47 -15.392 -7.374 -11.745 1.00 45.21 C ATOM 0 HA PRO A 47 -12.218 -6.789 -11.620 1.00 3.12 H new ATOM 0 HB2 PRO A 47 -13.519 -5.486 -13.719 1.00 24.42 H new ATOM 0 HB3 PRO A 47 -13.313 -7.227 -13.709 1.00 24.42 H new ATOM 0 HG2 PRO A 47 -15.718 -5.601 -12.905 1.00 14.21 H new ATOM 0 HG3 PRO A 47 -15.653 -7.075 -13.851 1.00 14.21 H new ATOM 0 HD2 PRO A 47 -16.333 -7.144 -11.245 1.00 45.21 H new ATOM 0 HD3 PRO A 47 -15.396 -8.443 -11.957 1.00 45.21 H new ATOM 735 N SER A 48 -14.077 -4.304 -10.761 1.00 62.21 N ATOM 736 CA SER A 48 -14.089 -2.927 -10.349 1.00 63.00 C ATOM 737 C SER A 48 -13.171 -2.716 -9.144 1.00 50.14 C ATOM 738 O SER A 48 -12.316 -1.832 -9.159 1.00 73.24 O ATOM 739 CB SER A 48 -15.521 -2.508 -10.025 1.00 51.03 C ATOM 740 OG SER A 48 -16.379 -2.734 -11.152 1.00 63.42 O ATOM 0 H SER A 48 -14.955 -4.796 -10.595 1.00 62.21 H new ATOM 0 HA SER A 48 -13.714 -2.305 -11.162 1.00 63.00 H new ATOM 0 HB2 SER A 48 -15.885 -3.071 -9.165 1.00 51.03 H new ATOM 0 HB3 SER A 48 -15.544 -1.454 -9.749 1.00 51.03 H new ATOM 0 HG SER A 48 -16.819 -3.605 -11.059 1.00 63.42 H new ATOM 746 N LYS A 49 -13.346 -3.552 -8.134 1.00 60.12 N ATOM 747 CA LYS A 49 -12.554 -3.507 -6.909 1.00 64.42 C ATOM 748 C LYS A 49 -11.092 -3.814 -7.204 1.00 50.41 C ATOM 749 O LYS A 49 -10.206 -3.212 -6.651 1.00 23.25 O ATOM 750 CB LYS A 49 -13.129 -4.494 -5.892 1.00 60.01 C ATOM 751 CG LYS A 49 -14.541 -4.133 -5.421 1.00 45.30 C ATOM 752 CD LYS A 49 -15.193 -5.268 -4.636 1.00 4.50 C ATOM 753 CE LYS A 49 -14.424 -5.638 -3.382 1.00 72.23 C ATOM 754 NZ LYS A 49 -15.055 -6.793 -2.699 1.00 2.34 N ATOM 0 H LYS A 49 -14.049 -4.291 -8.139 1.00 60.12 H new ATOM 0 HA LYS A 49 -12.601 -2.503 -6.488 1.00 64.42 H new ATOM 0 HB2 LYS A 49 -13.146 -5.490 -6.334 1.00 60.01 H new ATOM 0 HB3 LYS A 49 -12.467 -4.540 -5.027 1.00 60.01 H new ATOM 0 HG2 LYS A 49 -14.497 -3.240 -4.797 1.00 45.30 H new ATOM 0 HG3 LYS A 49 -15.159 -3.889 -6.285 1.00 45.30 H new ATOM 0 HD2 LYS A 49 -16.207 -4.977 -4.361 1.00 4.50 H new ATOM 0 HD3 LYS A 49 -15.276 -6.146 -5.277 1.00 4.50 H new ATOM 0 HE2 LYS A 49 -13.393 -5.881 -3.640 1.00 72.23 H new ATOM 0 HE3 LYS A 49 -14.390 -4.784 -2.706 1.00 72.23 H new ATOM 0 HZ1 LYS A 49 -14.335 -7.312 -2.157 1.00 2.34 H new ATOM 0 HZ2 LYS A 49 -15.796 -6.452 -2.053 1.00 2.34 H new ATOM 0 HZ3 LYS A 49 -15.478 -7.426 -3.407 1.00 2.34 H new ATOM 768 N LEU A 50 -10.860 -4.757 -8.098 1.00 72.01 N ATOM 769 CA LEU A 50 -9.496 -5.085 -8.526 1.00 51.33 C ATOM 770 C LEU A 50 -8.815 -3.859 -9.158 1.00 11.02 C ATOM 771 O LEU A 50 -7.735 -3.427 -8.724 1.00 64.14 O ATOM 772 CB LEU A 50 -9.553 -6.244 -9.548 1.00 2.41 C ATOM 773 CG LEU A 50 -9.478 -7.704 -9.030 1.00 13.05 C ATOM 774 CD1 LEU A 50 -10.316 -7.928 -7.790 1.00 65.31 C ATOM 775 CD2 LEU A 50 -9.951 -8.639 -10.123 1.00 3.44 C ATOM 0 H LEU A 50 -11.589 -5.312 -8.545 1.00 72.01 H new ATOM 0 HA LEU A 50 -8.912 -5.387 -7.657 1.00 51.33 H new ATOM 0 HB2 LEU A 50 -10.480 -6.141 -10.111 1.00 2.41 H new ATOM 0 HB3 LEU A 50 -8.734 -6.102 -10.253 1.00 2.41 H new ATOM 0 HG LEU A 50 -8.441 -7.903 -8.762 1.00 13.05 H new ATOM 0 HD11 LEU A 50 -10.225 -8.967 -7.472 1.00 65.31 H new ATOM 0 HD12 LEU A 50 -9.967 -7.273 -6.992 1.00 65.31 H new ATOM 0 HD13 LEU A 50 -11.360 -7.706 -8.011 1.00 65.31 H new ATOM 0 HD21 LEU A 50 -9.902 -9.668 -9.768 1.00 3.44 H new ATOM 0 HD22 LEU A 50 -10.980 -8.396 -10.390 1.00 3.44 H new ATOM 0 HD23 LEU A 50 -9.313 -8.527 -10.999 1.00 3.44 H new ATOM 787 N GLU A 51 -9.485 -3.262 -10.116 1.00 63.13 N ATOM 788 CA GLU A 51 -8.942 -2.132 -10.850 1.00 72.14 C ATOM 789 C GLU A 51 -8.857 -0.859 -10.046 1.00 34.50 C ATOM 790 O GLU A 51 -8.042 0.020 -10.351 1.00 41.35 O ATOM 791 CB GLU A 51 -9.650 -1.945 -12.172 1.00 0.12 C ATOM 792 CG GLU A 51 -9.269 -3.010 -13.177 1.00 61.21 C ATOM 793 CD GLU A 51 -7.813 -2.883 -13.578 1.00 14.22 C ATOM 794 OE1 GLU A 51 -6.906 -3.345 -12.828 1.00 43.44 O ATOM 795 OE2 GLU A 51 -7.548 -2.255 -14.628 1.00 4.01 O ATOM 0 H GLU A 51 -10.420 -3.542 -10.412 1.00 63.13 H new ATOM 0 HA GLU A 51 -7.904 -2.383 -11.066 1.00 72.14 H new ATOM 0 HB2 GLU A 51 -10.728 -1.967 -12.012 1.00 0.12 H new ATOM 0 HB3 GLU A 51 -9.408 -0.962 -12.577 1.00 0.12 H new ATOM 0 HG2 GLU A 51 -9.448 -3.997 -12.751 1.00 61.21 H new ATOM 0 HG3 GLU A 51 -9.902 -2.924 -14.060 1.00 61.21 H new ATOM 802 N GLY A 52 -9.686 -0.735 -9.053 1.00 50.12 N ATOM 803 CA GLY A 52 -9.598 0.399 -8.195 1.00 45.52 C ATOM 804 C GLY A 52 -8.469 0.228 -7.227 1.00 52.34 C ATOM 805 O GLY A 52 -7.597 1.094 -7.120 1.00 14.33 O ATOM 0 H GLY A 52 -10.423 -1.401 -8.821 1.00 50.12 H new ATOM 0 HA2 GLY A 52 -9.445 1.301 -8.787 1.00 45.52 H new ATOM 0 HA3 GLY A 52 -10.535 0.528 -7.653 1.00 45.52 H new ATOM 809 N PHE A 53 -8.433 -0.926 -6.602 1.00 70.45 N ATOM 810 CA PHE A 53 -7.457 -1.257 -5.584 1.00 5.54 C ATOM 811 C PHE A 53 -6.019 -1.144 -6.072 1.00 53.30 C ATOM 812 O PHE A 53 -5.155 -0.685 -5.316 1.00 42.21 O ATOM 813 CB PHE A 53 -7.756 -2.648 -5.025 1.00 54.23 C ATOM 814 CG PHE A 53 -6.678 -3.255 -4.196 1.00 43.21 C ATOM 815 CD1 PHE A 53 -6.285 -2.690 -3.000 1.00 72.42 C ATOM 816 CD2 PHE A 53 -6.051 -4.399 -4.631 1.00 72.01 C ATOM 817 CE1 PHE A 53 -5.282 -3.270 -2.259 1.00 50.32 C ATOM 818 CE2 PHE A 53 -5.057 -4.982 -3.900 1.00 54.02 C ATOM 819 CZ PHE A 53 -4.667 -4.421 -2.711 1.00 55.40 C ATOM 0 H PHE A 53 -9.095 -1.679 -6.790 1.00 70.45 H new ATOM 0 HA PHE A 53 -7.548 -0.520 -4.786 1.00 5.54 H new ATOM 0 HB2 PHE A 53 -8.663 -2.591 -4.423 1.00 54.23 H new ATOM 0 HB3 PHE A 53 -7.968 -3.317 -5.859 1.00 54.23 H new ATOM 0 HD1 PHE A 53 -6.766 -1.791 -2.645 1.00 72.42 H new ATOM 0 HD2 PHE A 53 -6.351 -4.844 -5.568 1.00 72.01 H new ATOM 0 HE1 PHE A 53 -4.975 -2.825 -1.324 1.00 50.32 H new ATOM 0 HE2 PHE A 53 -4.579 -5.882 -4.257 1.00 54.02 H new ATOM 0 HZ PHE A 53 -3.880 -4.878 -2.129 1.00 55.40 H new ATOM 829 N LYS A 54 -5.744 -1.515 -7.319 1.00 71.13 N ATOM 830 CA LYS A 54 -4.383 -1.358 -7.832 1.00 61.43 C ATOM 831 C LYS A 54 -3.888 0.085 -7.769 1.00 50.01 C ATOM 832 O LYS A 54 -2.723 0.321 -7.485 1.00 51.14 O ATOM 833 CB LYS A 54 -4.145 -2.050 -9.208 1.00 51.03 C ATOM 834 CG LYS A 54 -5.015 -1.632 -10.404 1.00 55.22 C ATOM 835 CD LYS A 54 -4.590 -0.330 -11.044 1.00 63.11 C ATOM 836 CE LYS A 54 -5.430 -0.036 -12.289 1.00 20.24 C ATOM 837 NZ LYS A 54 -5.337 -1.121 -13.319 1.00 23.02 N ATOM 0 H LYS A 54 -6.417 -1.913 -7.974 1.00 71.13 H new ATOM 0 HA LYS A 54 -3.746 -1.911 -7.142 1.00 61.43 H new ATOM 0 HB2 LYS A 54 -3.103 -1.887 -9.484 1.00 51.03 H new ATOM 0 HB3 LYS A 54 -4.273 -3.123 -9.065 1.00 51.03 H new ATOM 0 HG2 LYS A 54 -4.986 -2.421 -11.155 1.00 55.22 H new ATOM 0 HG3 LYS A 54 -6.050 -1.543 -10.074 1.00 55.22 H new ATOM 0 HD2 LYS A 54 -4.697 0.484 -10.327 1.00 63.11 H new ATOM 0 HD3 LYS A 54 -3.535 -0.380 -11.315 1.00 63.11 H new ATOM 0 HE2 LYS A 54 -6.472 0.094 -11.997 1.00 20.24 H new ATOM 0 HE3 LYS A 54 -5.103 0.906 -12.729 1.00 20.24 H new ATOM 0 HZ1 LYS A 54 -6.001 -0.922 -14.094 1.00 23.02 H new ATOM 0 HZ2 LYS A 54 -4.368 -1.161 -13.695 1.00 23.02 H new ATOM 0 HZ3 LYS A 54 -5.577 -2.034 -12.884 1.00 23.02 H new ATOM 851 N GLU A 55 -4.792 1.046 -7.950 1.00 71.02 N ATOM 852 CA GLU A 55 -4.417 2.452 -7.890 1.00 12.53 C ATOM 853 C GLU A 55 -4.141 2.880 -6.451 1.00 41.45 C ATOM 854 O GLU A 55 -3.236 3.675 -6.190 1.00 54.12 O ATOM 855 CB GLU A 55 -5.491 3.358 -8.496 1.00 11.01 C ATOM 856 CG GLU A 55 -5.796 3.103 -9.960 1.00 72.30 C ATOM 857 CD GLU A 55 -6.774 4.107 -10.515 1.00 23.41 C ATOM 858 OE1 GLU A 55 -6.338 5.163 -11.002 1.00 33.24 O ATOM 859 OE2 GLU A 55 -8.000 3.864 -10.457 1.00 61.24 O ATOM 0 H GLU A 55 -5.780 0.876 -8.138 1.00 71.02 H new ATOM 0 HA GLU A 55 -3.507 2.561 -8.481 1.00 12.53 H new ATOM 0 HB2 GLU A 55 -6.411 3.239 -7.923 1.00 11.01 H new ATOM 0 HB3 GLU A 55 -5.176 4.395 -8.382 1.00 11.01 H new ATOM 0 HG2 GLU A 55 -4.871 3.141 -10.535 1.00 72.30 H new ATOM 0 HG3 GLU A 55 -6.202 2.098 -10.076 1.00 72.30 H new ATOM 866 N LYS A 56 -4.920 2.353 -5.516 1.00 0.14 N ATOM 867 CA LYS A 56 -4.736 2.709 -4.117 1.00 21.10 C ATOM 868 C LYS A 56 -3.528 2.000 -3.498 1.00 1.21 C ATOM 869 O LYS A 56 -2.826 2.584 -2.672 1.00 63.22 O ATOM 870 CB LYS A 56 -5.990 2.463 -3.227 1.00 11.34 C ATOM 871 CG LYS A 56 -7.260 3.293 -3.538 1.00 4.14 C ATOM 872 CD LYS A 56 -7.918 2.863 -4.826 1.00 21.30 C ATOM 873 CE LYS A 56 -9.234 3.584 -5.104 1.00 35.21 C ATOM 874 NZ LYS A 56 -9.066 5.037 -5.280 1.00 71.53 N ATOM 0 H LYS A 56 -5.673 1.689 -5.696 1.00 0.14 H new ATOM 0 HA LYS A 56 -4.559 3.784 -4.135 1.00 21.10 H new ATOM 0 HB2 LYS A 56 -6.252 1.407 -3.299 1.00 11.34 H new ATOM 0 HB3 LYS A 56 -5.710 2.652 -2.191 1.00 11.34 H new ATOM 0 HG2 LYS A 56 -7.970 3.190 -2.717 1.00 4.14 H new ATOM 0 HG3 LYS A 56 -6.996 4.349 -3.601 1.00 4.14 H new ATOM 0 HD2 LYS A 56 -7.232 3.043 -5.654 1.00 21.30 H new ATOM 0 HD3 LYS A 56 -8.101 1.789 -4.791 1.00 21.30 H new ATOM 0 HE2 LYS A 56 -9.690 3.165 -6.001 1.00 35.21 H new ATOM 0 HE3 LYS A 56 -9.924 3.400 -4.280 1.00 35.21 H new ATOM 0 HZ1 LYS A 56 -9.371 5.529 -4.416 1.00 71.53 H new ATOM 0 HZ2 LYS A 56 -8.065 5.251 -5.465 1.00 71.53 H new ATOM 0 HZ3 LYS A 56 -9.643 5.358 -6.083 1.00 71.53 H new ATOM 888 N TYR A 57 -3.277 0.749 -3.911 1.00 45.51 N ATOM 889 CA TYR A 57 -2.211 -0.057 -3.321 1.00 21.15 C ATOM 890 C TYR A 57 -0.849 0.535 -3.628 1.00 3.24 C ATOM 891 O TYR A 57 0.002 0.639 -2.755 1.00 3.43 O ATOM 892 CB TYR A 57 -2.296 -1.503 -3.815 1.00 33.12 C ATOM 893 CG TYR A 57 -1.330 -2.473 -3.139 1.00 13.33 C ATOM 894 CD1 TYR A 57 -1.704 -3.167 -1.998 1.00 12.40 C ATOM 895 CD2 TYR A 57 -0.065 -2.713 -3.656 1.00 44.43 C ATOM 896 CE1 TYR A 57 -0.848 -4.066 -1.393 1.00 33.54 C ATOM 897 CE2 TYR A 57 0.794 -3.617 -3.053 1.00 74.10 C ATOM 898 CZ TYR A 57 0.397 -4.287 -1.926 1.00 12.21 C ATOM 899 OH TYR A 57 1.248 -5.185 -1.325 1.00 24.40 O ATOM 0 H TYR A 57 -3.799 0.279 -4.650 1.00 45.51 H new ATOM 0 HA TYR A 57 -2.342 -0.054 -2.239 1.00 21.15 H new ATOM 0 HB2 TYR A 57 -3.314 -1.863 -3.665 1.00 33.12 H new ATOM 0 HB3 TYR A 57 -2.109 -1.516 -4.889 1.00 33.12 H new ATOM 0 HD1 TYR A 57 -2.684 -3.001 -1.574 1.00 12.40 H new ATOM 0 HD2 TYR A 57 0.255 -2.186 -4.543 1.00 44.43 H new ATOM 0 HE1 TYR A 57 -1.158 -4.594 -0.503 1.00 33.54 H new ATOM 0 HE2 TYR A 57 1.774 -3.793 -3.470 1.00 74.10 H new ATOM 0 HH TYR A 57 2.150 -5.077 -1.693 1.00 24.40 H new ATOM 909 N MET A 58 -0.665 0.951 -4.859 1.00 3.13 N ATOM 910 CA MET A 58 0.597 1.557 -5.296 1.00 34.32 C ATOM 911 C MET A 58 0.802 2.933 -4.666 1.00 64.30 C ATOM 912 O MET A 58 1.889 3.491 -4.721 1.00 4.51 O ATOM 913 CB MET A 58 0.643 1.665 -6.823 1.00 52.42 C ATOM 914 CG MET A 58 -0.509 2.461 -7.391 1.00 13.03 C ATOM 915 SD MET A 58 -0.489 2.624 -9.185 1.00 24.32 S ATOM 916 CE MET A 58 -0.610 0.916 -9.694 1.00 5.52 C ATOM 0 H MET A 58 -1.373 0.885 -5.591 1.00 3.13 H new ATOM 0 HA MET A 58 1.407 0.908 -4.963 1.00 34.32 H new ATOM 0 HB2 MET A 58 1.582 2.131 -7.121 1.00 52.42 H new ATOM 0 HB3 MET A 58 0.633 0.664 -7.254 1.00 52.42 H new ATOM 0 HG2 MET A 58 -1.444 1.988 -7.092 1.00 13.03 H new ATOM 0 HG3 MET A 58 -0.500 3.457 -6.948 1.00 13.03 H new ATOM 0 HE1 MET A 58 0.220 0.675 -10.359 1.00 5.52 H new ATOM 0 HE2 MET A 58 -0.571 0.271 -8.816 1.00 5.52 H new ATOM 0 HE3 MET A 58 -1.553 0.758 -10.218 1.00 5.52 H new ATOM 926 N GLU A 59 -0.243 3.461 -4.065 1.00 55.24 N ATOM 927 CA GLU A 59 -0.186 4.753 -3.448 1.00 62.32 C ATOM 928 C GLU A 59 0.193 4.589 -1.964 1.00 44.24 C ATOM 929 O GLU A 59 0.451 5.559 -1.266 1.00 73.23 O ATOM 930 CB GLU A 59 -1.547 5.426 -3.586 1.00 5.11 C ATOM 931 CG GLU A 59 -1.575 6.896 -3.227 1.00 43.23 C ATOM 932 CD GLU A 59 -0.683 7.713 -4.132 1.00 52.22 C ATOM 933 OE1 GLU A 59 -0.999 7.824 -5.334 1.00 10.14 O ATOM 934 OE2 GLU A 59 0.361 8.225 -3.666 1.00 33.02 O ATOM 0 H GLU A 59 -1.151 3.001 -3.995 1.00 55.24 H new ATOM 0 HA GLU A 59 0.567 5.374 -3.933 1.00 62.32 H new ATOM 0 HB2 GLU A 59 -1.889 5.312 -4.615 1.00 5.11 H new ATOM 0 HB3 GLU A 59 -2.261 4.900 -2.953 1.00 5.11 H new ATOM 0 HG2 GLU A 59 -2.598 7.267 -3.294 1.00 43.23 H new ATOM 0 HG3 GLU A 59 -1.257 7.023 -2.192 1.00 43.23 H new ATOM 941 N PHE A 60 0.254 3.343 -1.501 1.00 14.40 N ATOM 942 CA PHE A 60 0.613 3.055 -0.111 1.00 33.53 C ATOM 943 C PHE A 60 2.130 2.924 0.045 1.00 30.54 C ATOM 944 O PHE A 60 2.604 2.177 0.897 1.00 45.25 O ATOM 945 CB PHE A 60 -0.044 1.760 0.386 1.00 40.24 C ATOM 946 CG PHE A 60 -1.552 1.745 0.445 1.00 51.40 C ATOM 947 CD1 PHE A 60 -2.246 2.784 1.010 1.00 10.20 C ATOM 948 CD2 PHE A 60 -2.263 0.659 -0.030 1.00 43.01 C ATOM 949 CE1 PHE A 60 -3.618 2.760 1.099 1.00 60.41 C ATOM 950 CE2 PHE A 60 -3.640 0.622 0.048 1.00 74.40 C ATOM 951 CZ PHE A 60 -4.321 1.678 0.616 1.00 42.25 C ATOM 0 H PHE A 60 0.060 2.516 -2.066 1.00 14.40 H new ATOM 0 HA PHE A 60 0.250 3.891 0.487 1.00 33.53 H new ATOM 0 HB2 PHE A 60 0.279 0.944 -0.261 1.00 40.24 H new ATOM 0 HB3 PHE A 60 0.338 1.546 1.384 1.00 40.24 H new ATOM 0 HD1 PHE A 60 -1.705 3.637 1.392 1.00 10.20 H new ATOM 0 HD2 PHE A 60 -1.733 -0.173 -0.469 1.00 43.01 H new ATOM 0 HE1 PHE A 60 -4.145 3.589 1.548 1.00 60.41 H new ATOM 0 HE2 PHE A 60 -4.182 -0.230 -0.334 1.00 74.40 H new ATOM 0 HZ PHE A 60 -5.399 1.657 0.682 1.00 42.25 H new ATOM 961 N ASP A 61 2.875 3.659 -0.789 1.00 51.41 N ATOM 962 CA ASP A 61 4.358 3.721 -0.744 1.00 74.41 C ATOM 963 C ASP A 61 5.063 2.493 -1.317 1.00 15.30 C ATOM 964 O ASP A 61 5.938 2.639 -2.183 1.00 32.42 O ATOM 965 CB ASP A 61 4.868 4.097 0.660 1.00 2.33 C ATOM 966 CG ASP A 61 6.360 3.932 0.850 1.00 3.10 C ATOM 967 OD1 ASP A 61 7.159 4.612 0.164 1.00 73.13 O ATOM 968 OD2 ASP A 61 6.756 3.121 1.705 1.00 3.51 O ATOM 0 H ASP A 61 2.470 4.237 -1.525 1.00 51.41 H new ATOM 0 HA ASP A 61 4.634 4.528 -1.423 1.00 74.41 H new ATOM 0 HB2 ASP A 61 4.601 5.134 0.864 1.00 2.33 H new ATOM 0 HB3 ASP A 61 4.350 3.483 1.397 1.00 2.33 H new ATOM 973 N LEU A 62 4.672 1.303 -0.847 1.00 21.33 N ATOM 974 CA LEU A 62 5.233 -0.001 -1.285 1.00 34.31 C ATOM 975 C LEU A 62 6.668 -0.183 -0.773 1.00 53.44 C ATOM 976 O LEU A 62 7.576 0.579 -1.129 1.00 40.22 O ATOM 977 CB LEU A 62 5.213 -0.184 -2.838 1.00 62.02 C ATOM 978 CG LEU A 62 3.853 -0.007 -3.564 1.00 21.20 C ATOM 979 CD1 LEU A 62 4.015 -0.081 -5.072 1.00 70.24 C ATOM 980 CD2 LEU A 62 2.910 -1.073 -3.156 1.00 3.45 C ATOM 0 H LEU A 62 3.944 1.207 -0.139 1.00 21.33 H new ATOM 0 HA LEU A 62 4.586 -0.764 -0.852 1.00 34.31 H new ATOM 0 HB2 LEU A 62 5.919 0.526 -3.269 1.00 62.02 H new ATOM 0 HB3 LEU A 62 5.587 -1.183 -3.064 1.00 62.02 H new ATOM 0 HG LEU A 62 3.468 0.974 -3.286 1.00 21.20 H new ATOM 0 HD11 LEU A 62 3.043 0.047 -5.549 1.00 70.24 H new ATOM 0 HD12 LEU A 62 4.689 0.708 -5.405 1.00 70.24 H new ATOM 0 HD13 LEU A 62 4.429 -1.051 -5.346 1.00 70.24 H new ATOM 0 HD21 LEU A 62 1.960 -0.936 -3.673 1.00 3.45 H new ATOM 0 HD22 LEU A 62 3.327 -2.046 -3.415 1.00 3.45 H new ATOM 0 HD23 LEU A 62 2.747 -1.022 -2.079 1.00 3.45 H new ATOM 992 N ASN A 63 6.867 -1.177 0.064 1.00 12.42 N ATOM 993 CA ASN A 63 8.203 -1.515 0.548 1.00 61.43 C ATOM 994 C ASN A 63 8.989 -2.235 -0.536 1.00 23.34 C ATOM 995 O ASN A 63 8.475 -2.458 -1.640 1.00 21.53 O ATOM 996 CB ASN A 63 8.144 -2.385 1.805 1.00 62.31 C ATOM 997 CG ASN A 63 7.620 -1.671 3.028 1.00 24.24 C ATOM 998 OD1 ASN A 63 7.810 -0.478 3.194 1.00 71.24 O ATOM 999 ND2 ASN A 63 6.963 -2.388 3.879 1.00 2.22 N ATOM 0 H ASN A 63 6.123 -1.772 0.429 1.00 12.42 H new ATOM 0 HA ASN A 63 8.705 -0.582 0.804 1.00 61.43 H new ATOM 0 HB2 ASN A 63 7.512 -3.250 1.605 1.00 62.31 H new ATOM 0 HB3 ASN A 63 9.144 -2.763 2.019 1.00 62.31 H new ATOM 0 HD21 ASN A 63 6.584 -1.958 4.723 1.00 2.22 H new ATOM 0 HD22 ASN A 63 6.824 -3.384 3.707 1.00 2.22 H new ATOM 1006 N GLY A 64 10.205 -2.648 -0.205 1.00 1.42 N ATOM 1007 CA GLY A 64 11.111 -3.277 -1.178 1.00 55.54 C ATOM 1008 C GLY A 64 10.527 -4.504 -1.872 1.00 24.24 C ATOM 1009 O GLY A 64 10.760 -4.726 -3.061 1.00 23.32 O ATOM 0 H GLY A 64 10.596 -2.561 0.733 1.00 1.42 H new ATOM 0 HA2 GLY A 64 11.383 -2.540 -1.934 1.00 55.54 H new ATOM 0 HA3 GLY A 64 12.031 -3.565 -0.668 1.00 55.54 H new ATOM 1013 N ASN A 65 9.758 -5.284 -1.145 1.00 22.25 N ATOM 1014 CA ASN A 65 9.155 -6.490 -1.713 1.00 11.31 C ATOM 1015 C ASN A 65 7.775 -6.202 -2.266 1.00 71.10 C ATOM 1016 O ASN A 65 7.080 -7.107 -2.730 1.00 74.31 O ATOM 1017 CB ASN A 65 9.059 -7.607 -0.670 1.00 64.04 C ATOM 1018 CG ASN A 65 10.406 -8.071 -0.162 1.00 13.10 C ATOM 1019 OD1 ASN A 65 11.406 -8.035 -0.879 1.00 14.14 O ATOM 1020 ND2 ASN A 65 10.446 -8.515 1.062 1.00 0.14 N ATOM 0 H ASN A 65 9.531 -5.115 -0.165 1.00 22.25 H new ATOM 0 HA ASN A 65 9.803 -6.819 -2.525 1.00 11.31 H new ATOM 0 HB2 ASN A 65 8.462 -7.257 0.172 1.00 64.04 H new ATOM 0 HB3 ASN A 65 8.531 -8.456 -1.105 1.00 64.04 H new ATOM 0 HD21 ASN A 65 11.326 -8.848 1.455 1.00 0.14 H new ATOM 0 HD22 ASN A 65 9.597 -8.530 1.627 1.00 0.14 H new ATOM 1027 N GLY A 66 7.391 -4.942 -2.254 1.00 60.20 N ATOM 1028 CA GLY A 66 6.065 -4.574 -2.675 1.00 54.33 C ATOM 1029 C GLY A 66 5.068 -4.943 -1.636 1.00 25.31 C ATOM 1030 O GLY A 66 3.953 -5.368 -1.933 1.00 12.41 O ATOM 0 H GLY A 66 7.979 -4.163 -1.958 1.00 60.20 H new ATOM 0 HA2 GLY A 66 6.022 -3.501 -2.864 1.00 54.33 H new ATOM 0 HA3 GLY A 66 5.823 -5.073 -3.613 1.00 54.33 H new ATOM 1034 N ASP A 67 5.468 -4.762 -0.426 1.00 63.42 N ATOM 1035 CA ASP A 67 4.672 -5.119 0.723 1.00 13.24 C ATOM 1036 C ASP A 67 4.373 -3.877 1.473 1.00 43.44 C ATOM 1037 O ASP A 67 5.022 -2.857 1.247 1.00 51.44 O ATOM 1038 CB ASP A 67 5.394 -6.137 1.626 1.00 55.01 C ATOM 1039 CG ASP A 67 6.700 -5.626 2.213 1.00 62.33 C ATOM 1040 OD1 ASP A 67 6.682 -4.987 3.269 1.00 40.45 O ATOM 1041 OD2 ASP A 67 7.774 -5.891 1.623 1.00 31.05 O ATOM 0 H ASP A 67 6.373 -4.355 -0.190 1.00 63.42 H new ATOM 0 HA ASP A 67 3.751 -5.597 0.390 1.00 13.24 H new ATOM 0 HB2 ASP A 67 4.728 -6.421 2.441 1.00 55.01 H new ATOM 0 HB3 ASP A 67 5.595 -7.040 1.049 1.00 55.01 H new ATOM 1046 N ILE A 68 3.398 -3.916 2.322 1.00 31.51 N ATOM 1047 CA ILE A 68 3.021 -2.734 3.047 1.00 44.15 C ATOM 1048 C ILE A 68 2.878 -3.052 4.516 1.00 52.42 C ATOM 1049 O ILE A 68 2.090 -3.934 4.901 1.00 11.02 O ATOM 1050 CB ILE A 68 1.691 -2.150 2.513 1.00 1.34 C ATOM 1051 CG1 ILE A 68 1.789 -1.923 1.003 1.00 21.41 C ATOM 1052 CG2 ILE A 68 1.387 -0.819 3.210 1.00 31.42 C ATOM 1053 CD1 ILE A 68 0.500 -1.513 0.374 1.00 34.32 C ATOM 0 H ILE A 68 2.846 -4.747 2.534 1.00 31.51 H new ATOM 0 HA ILE A 68 3.805 -1.990 2.907 1.00 44.15 H new ATOM 0 HB ILE A 68 0.888 -2.858 2.720 1.00 1.34 H new ATOM 0 HG12 ILE A 68 2.539 -1.156 0.808 1.00 21.41 H new ATOM 0 HG13 ILE A 68 2.139 -2.840 0.529 1.00 21.41 H new ATOM 0 HG21 ILE A 68 0.449 -0.414 2.829 1.00 31.42 H new ATOM 0 HG22 ILE A 68 1.302 -0.982 4.284 1.00 31.42 H new ATOM 0 HG23 ILE A 68 2.194 -0.113 3.013 1.00 31.42 H new ATOM 0 HD11 ILE A 68 0.647 -1.370 -0.697 1.00 34.32 H new ATOM 0 HD12 ILE A 68 -0.248 -2.289 0.538 1.00 34.32 H new ATOM 0 HD13 ILE A 68 0.158 -0.580 0.821 1.00 34.32 H new ATOM 1065 N ASP A 69 3.652 -2.385 5.323 1.00 22.31 N ATOM 1066 CA ASP A 69 3.561 -2.532 6.758 1.00 74.41 C ATOM 1067 C ASP A 69 2.895 -1.303 7.321 1.00 63.23 C ATOM 1068 O ASP A 69 2.631 -0.349 6.577 1.00 41.43 O ATOM 1069 CB ASP A 69 4.936 -2.730 7.409 1.00 51.21 C ATOM 1070 CG ASP A 69 5.807 -1.521 7.323 1.00 11.50 C ATOM 1071 OD1 ASP A 69 6.480 -1.338 6.303 1.00 64.23 O ATOM 1072 OD2 ASP A 69 5.840 -0.743 8.285 1.00 61.44 O ATOM 0 H ASP A 69 4.364 -1.724 5.012 1.00 22.31 H new ATOM 0 HA ASP A 69 2.975 -3.424 6.979 1.00 74.41 H new ATOM 0 HB2 ASP A 69 4.800 -2.998 8.457 1.00 51.21 H new ATOM 0 HB3 ASP A 69 5.441 -3.568 6.929 1.00 51.21 H new ATOM 1077 N ILE A 70 2.635 -1.298 8.621 1.00 62.21 N ATOM 1078 CA ILE A 70 1.922 -0.181 9.228 1.00 24.14 C ATOM 1079 C ILE A 70 2.649 1.169 9.080 1.00 22.41 C ATOM 1080 O ILE A 70 2.007 2.201 9.000 1.00 33.54 O ATOM 1081 CB ILE A 70 1.578 -0.353 10.707 1.00 62.35 C ATOM 1082 CG1 ILE A 70 2.801 -0.438 11.561 1.00 25.15 C ATOM 1083 CG2 ILE A 70 0.697 -1.552 10.914 1.00 61.54 C ATOM 1084 CD1 ILE A 70 2.512 -0.057 12.967 1.00 23.14 C ATOM 0 H ILE A 70 2.901 -2.041 9.267 1.00 62.21 H new ATOM 0 HA ILE A 70 0.995 -0.178 8.655 1.00 24.14 H new ATOM 0 HB ILE A 70 1.030 0.537 11.017 1.00 62.35 H new ATOM 0 HG12 ILE A 70 3.196 -1.454 11.532 1.00 25.15 H new ATOM 0 HG13 ILE A 70 3.574 0.216 11.157 1.00 25.15 H new ATOM 0 HG21 ILE A 70 0.465 -1.655 11.974 1.00 61.54 H new ATOM 0 HG22 ILE A 70 -0.228 -1.426 10.351 1.00 61.54 H new ATOM 0 HG23 ILE A 70 1.213 -2.447 10.567 1.00 61.54 H new ATOM 0 HD11 ILE A 70 3.424 -0.131 13.559 1.00 23.14 H new ATOM 0 HD12 ILE A 70 2.141 0.968 12.997 1.00 23.14 H new ATOM 0 HD13 ILE A 70 1.758 -0.728 13.378 1.00 23.14 H new ATOM 1096 N MET A 71 3.987 1.156 9.040 1.00 40.31 N ATOM 1097 CA MET A 71 4.760 2.404 8.945 1.00 5.04 C ATOM 1098 C MET A 71 4.598 2.981 7.567 1.00 74.35 C ATOM 1099 O MET A 71 4.293 4.163 7.409 1.00 2.21 O ATOM 1100 CB MET A 71 6.253 2.176 9.230 1.00 50.52 C ATOM 1101 CG MET A 71 6.648 1.637 10.627 1.00 64.53 C ATOM 1102 SD MET A 71 6.439 2.795 12.041 1.00 2.24 S ATOM 1103 CE MET A 71 4.662 2.870 12.283 1.00 31.23 C ATOM 0 H MET A 71 4.553 0.308 9.071 1.00 40.31 H new ATOM 0 HA MET A 71 4.379 3.095 9.697 1.00 5.04 H new ATOM 0 HB2 MET A 71 6.634 1.480 8.483 1.00 50.52 H new ATOM 0 HB3 MET A 71 6.771 3.123 9.078 1.00 50.52 H new ATOM 0 HG2 MET A 71 6.057 0.743 10.828 1.00 64.53 H new ATOM 0 HG3 MET A 71 7.692 1.327 10.591 1.00 64.53 H new ATOM 0 HE1 MET A 71 4.438 3.499 13.145 1.00 31.23 H new ATOM 0 HE2 MET A 71 4.191 3.291 11.395 1.00 31.23 H new ATOM 0 HE3 MET A 71 4.276 1.866 12.457 1.00 31.23 H new ATOM 1113 N SER A 72 4.779 2.128 6.574 1.00 65.53 N ATOM 1114 CA SER A 72 4.640 2.503 5.183 1.00 61.35 C ATOM 1115 C SER A 72 3.214 3.030 4.926 1.00 41.22 C ATOM 1116 O SER A 72 3.028 4.076 4.277 1.00 2.03 O ATOM 1117 CB SER A 72 4.968 1.282 4.287 1.00 73.04 C ATOM 1118 OG SER A 72 4.874 1.577 2.907 1.00 21.52 O ATOM 0 H SER A 72 5.028 1.149 6.714 1.00 65.53 H new ATOM 0 HA SER A 72 5.339 3.302 4.938 1.00 61.35 H new ATOM 0 HB2 SER A 72 5.975 0.932 4.512 1.00 73.04 H new ATOM 0 HB3 SER A 72 4.286 0.466 4.527 1.00 73.04 H new ATOM 0 HG SER A 72 5.629 2.142 2.641 1.00 21.52 H new ATOM 1124 N LEU A 73 2.234 2.331 5.492 1.00 10.31 N ATOM 1125 CA LEU A 73 0.835 2.683 5.353 1.00 63.22 C ATOM 1126 C LEU A 73 0.488 3.972 6.106 1.00 0.33 C ATOM 1127 O LEU A 73 -0.100 4.859 5.513 1.00 45.23 O ATOM 1128 CB LEU A 73 -0.045 1.512 5.835 1.00 13.14 C ATOM 1129 CG LEU A 73 -1.568 1.698 5.746 1.00 31.53 C ATOM 1130 CD1 LEU A 73 -1.998 1.962 4.320 1.00 61.14 C ATOM 1131 CD2 LEU A 73 -2.281 0.470 6.282 1.00 14.45 C ATOM 0 H LEU A 73 2.395 1.501 6.062 1.00 10.31 H new ATOM 0 HA LEU A 73 0.638 2.872 4.298 1.00 63.22 H new ATOM 0 HB2 LEU A 73 0.222 0.628 5.256 1.00 13.14 H new ATOM 0 HB3 LEU A 73 0.210 1.302 6.874 1.00 13.14 H new ATOM 0 HG LEU A 73 -1.839 2.561 6.354 1.00 31.53 H new ATOM 0 HD11 LEU A 73 -3.080 2.090 4.284 1.00 61.14 H new ATOM 0 HD12 LEU A 73 -1.513 2.868 3.955 1.00 61.14 H new ATOM 0 HD13 LEU A 73 -1.711 1.119 3.692 1.00 61.14 H new ATOM 0 HD21 LEU A 73 -3.359 0.616 6.213 1.00 14.45 H new ATOM 0 HD22 LEU A 73 -1.994 -0.402 5.695 1.00 14.45 H new ATOM 0 HD23 LEU A 73 -2.002 0.313 7.324 1.00 14.45 H new ATOM 1143 N LYS A 74 0.866 4.107 7.413 1.00 41.01 N ATOM 1144 CA LYS A 74 0.464 5.323 8.144 1.00 35.04 C ATOM 1145 C LYS A 74 0.938 6.598 7.490 1.00 45.25 C ATOM 1146 O LYS A 74 0.159 7.528 7.378 1.00 75.44 O ATOM 1147 CB LYS A 74 0.876 5.351 9.621 1.00 64.33 C ATOM 1148 CG LYS A 74 2.360 5.440 9.884 1.00 3.15 C ATOM 1149 CD LYS A 74 2.659 5.535 11.370 1.00 41.24 C ATOM 1150 CE LYS A 74 2.089 6.803 12.006 1.00 20.10 C ATOM 1151 NZ LYS A 74 2.640 8.052 11.405 1.00 34.20 N ATOM 0 H LYS A 74 1.413 3.430 7.944 1.00 41.01 H new ATOM 0 HA LYS A 74 -0.624 5.274 8.101 1.00 35.04 H new ATOM 0 HB2 LYS A 74 0.389 6.201 10.099 1.00 64.33 H new ATOM 0 HB3 LYS A 74 0.493 4.452 10.103 1.00 64.33 H new ATOM 0 HG2 LYS A 74 2.857 4.564 9.467 1.00 3.15 H new ATOM 0 HG3 LYS A 74 2.769 6.312 9.373 1.00 3.15 H new ATOM 0 HD2 LYS A 74 2.246 4.662 11.876 1.00 41.24 H new ATOM 0 HD3 LYS A 74 3.738 5.511 11.522 1.00 41.24 H new ATOM 0 HE2 LYS A 74 1.004 6.802 11.898 1.00 20.10 H new ATOM 0 HE3 LYS A 74 2.303 6.795 13.075 1.00 20.10 H new ATOM 0 HZ1 LYS A 74 2.515 8.842 12.070 1.00 34.20 H new ATOM 0 HZ2 LYS A 74 3.653 7.924 11.206 1.00 34.20 H new ATOM 0 HZ3 LYS A 74 2.137 8.263 10.520 1.00 34.20 H new ATOM 1165 N ARG A 75 2.199 6.623 7.016 1.00 12.03 N ATOM 1166 CA ARG A 75 2.798 7.870 6.525 1.00 71.22 C ATOM 1167 C ARG A 75 1.946 8.542 5.486 1.00 4.30 C ATOM 1168 O ARG A 75 1.640 9.711 5.617 1.00 61.01 O ATOM 1169 CB ARG A 75 4.225 7.698 5.998 1.00 2.21 C ATOM 1170 CG ARG A 75 5.212 7.164 7.014 1.00 44.04 C ATOM 1171 CD ARG A 75 6.643 7.242 6.495 1.00 34.14 C ATOM 1172 NE ARG A 75 7.095 8.639 6.360 1.00 61.11 N ATOM 1173 CZ ARG A 75 8.235 9.031 5.784 1.00 62.30 C ATOM 1174 NH1 ARG A 75 9.013 8.150 5.171 1.00 44.14 N ATOM 1175 NH2 ARG A 75 8.588 10.312 5.823 1.00 51.23 N ATOM 0 H ARG A 75 2.810 5.808 6.965 1.00 12.03 H new ATOM 0 HA ARG A 75 2.852 8.514 7.403 1.00 71.22 H new ATOM 0 HB2 ARG A 75 4.203 7.023 5.142 1.00 2.21 H new ATOM 0 HB3 ARG A 75 4.583 8.661 5.635 1.00 2.21 H new ATOM 0 HG2 ARG A 75 5.128 7.734 7.939 1.00 44.04 H new ATOM 0 HG3 ARG A 75 4.966 6.129 7.253 1.00 44.04 H new ATOM 0 HD2 ARG A 75 7.307 6.708 7.175 1.00 34.14 H new ATOM 0 HD3 ARG A 75 6.708 6.743 5.528 1.00 34.14 H new ATOM 0 HE ARG A 75 6.487 9.366 6.737 1.00 61.11 H new ATOM 0 HH11 ARG A 75 8.742 7.167 5.137 1.00 44.14 H new ATOM 0 HH12 ARG A 75 9.882 8.455 4.733 1.00 44.14 H new ATOM 0 HH21 ARG A 75 7.989 10.992 6.292 1.00 51.23 H new ATOM 0 HH22 ARG A 75 9.458 10.615 5.384 1.00 51.23 H new ATOM 1189 N MET A 76 1.567 7.816 4.465 1.00 1.30 N ATOM 1190 CA MET A 76 0.728 8.360 3.443 1.00 73.24 C ATOM 1191 C MET A 76 -0.748 8.458 3.851 1.00 44.42 C ATOM 1192 O MET A 76 -1.419 9.407 3.498 1.00 21.33 O ATOM 1193 CB MET A 76 0.977 7.715 2.053 1.00 45.45 C ATOM 1194 CG MET A 76 1.005 6.181 1.999 1.00 40.43 C ATOM 1195 SD MET A 76 -0.529 5.379 2.488 1.00 71.01 S ATOM 1196 CE MET A 76 -1.674 6.071 1.316 1.00 13.12 C ATOM 0 H MET A 76 1.831 6.841 4.325 1.00 1.30 H new ATOM 0 HA MET A 76 1.033 9.399 3.322 1.00 73.24 H new ATOM 0 HB2 MET A 76 0.202 8.065 1.372 1.00 45.45 H new ATOM 0 HB3 MET A 76 1.928 8.086 1.671 1.00 45.45 H new ATOM 0 HG2 MET A 76 1.252 5.872 0.983 1.00 40.43 H new ATOM 0 HG3 MET A 76 1.807 5.824 2.645 1.00 40.43 H new ATOM 0 HE1 MET A 76 -2.645 5.588 1.427 1.00 13.12 H new ATOM 0 HE2 MET A 76 -1.779 7.141 1.498 1.00 13.12 H new ATOM 0 HE3 MET A 76 -1.301 5.909 0.304 1.00 13.12 H new ATOM 1206 N LEU A 77 -1.220 7.491 4.630 1.00 21.05 N ATOM 1207 CA LEU A 77 -2.630 7.420 5.050 1.00 4.13 C ATOM 1208 C LEU A 77 -2.991 8.609 5.944 1.00 64.13 C ATOM 1209 O LEU A 77 -3.913 9.366 5.642 1.00 75.43 O ATOM 1210 CB LEU A 77 -2.855 6.098 5.799 1.00 30.05 C ATOM 1211 CG LEU A 77 -4.290 5.712 6.139 1.00 10.52 C ATOM 1212 CD1 LEU A 77 -5.101 5.508 4.873 1.00 55.10 C ATOM 1213 CD2 LEU A 77 -4.298 4.449 6.967 1.00 0.31 C ATOM 0 H LEU A 77 -0.643 6.731 4.992 1.00 21.05 H new ATOM 0 HA LEU A 77 -3.273 7.460 4.171 1.00 4.13 H new ATOM 0 HB2 LEU A 77 -2.425 5.296 5.200 1.00 30.05 H new ATOM 0 HB3 LEU A 77 -2.289 6.139 6.730 1.00 30.05 H new ATOM 0 HG LEU A 77 -4.743 6.521 6.713 1.00 10.52 H new ATOM 0 HD11 LEU A 77 -6.123 5.233 5.136 1.00 55.10 H new ATOM 0 HD12 LEU A 77 -5.111 6.432 4.295 1.00 55.10 H new ATOM 0 HD13 LEU A 77 -4.653 4.712 4.278 1.00 55.10 H new ATOM 0 HD21 LEU A 77 -5.326 4.178 7.207 1.00 0.31 H new ATOM 0 HD22 LEU A 77 -3.832 3.641 6.403 1.00 0.31 H new ATOM 0 HD23 LEU A 77 -3.742 4.615 7.890 1.00 0.31 H new ATOM 1225 N GLU A 78 -2.235 8.799 7.007 1.00 32.31 N ATOM 1226 CA GLU A 78 -2.473 9.891 7.919 1.00 34.25 C ATOM 1227 C GLU A 78 -2.100 11.272 7.373 1.00 52.13 C ATOM 1228 O GLU A 78 -2.597 12.303 7.836 1.00 53.35 O ATOM 1229 CB GLU A 78 -2.210 9.583 9.435 1.00 21.32 C ATOM 1230 CG GLU A 78 -0.876 8.925 9.826 1.00 3.52 C ATOM 1231 CD GLU A 78 0.317 9.834 9.790 1.00 3.31 C ATOM 1232 OE1 GLU A 78 0.215 10.976 10.277 1.00 61.12 O ATOM 1233 OE2 GLU A 78 1.398 9.386 9.378 1.00 52.41 O ATOM 0 H GLU A 78 -1.446 8.204 7.258 1.00 32.31 H new ATOM 0 HA GLU A 78 -3.558 9.988 7.962 1.00 34.25 H new ATOM 0 HB2 GLU A 78 -2.291 10.521 9.984 1.00 21.32 H new ATOM 0 HB3 GLU A 78 -3.015 8.938 9.787 1.00 21.32 H new ATOM 0 HG2 GLU A 78 -0.972 8.516 10.832 1.00 3.52 H new ATOM 0 HG3 GLU A 78 -0.693 8.085 9.156 1.00 3.52 H new ATOM 1240 N LYS A 79 -1.188 11.271 6.400 1.00 33.23 N ATOM 1241 CA LYS A 79 -0.824 12.471 5.606 1.00 52.43 C ATOM 1242 C LYS A 79 -2.076 12.996 4.857 1.00 3.32 C ATOM 1243 O LYS A 79 -2.202 14.198 4.560 1.00 4.10 O ATOM 1244 CB LYS A 79 0.223 12.042 4.567 1.00 44.11 C ATOM 1245 CG LYS A 79 0.776 13.116 3.641 1.00 40.43 C ATOM 1246 CD LYS A 79 1.744 12.484 2.635 1.00 63.00 C ATOM 1247 CE LYS A 79 2.327 13.494 1.655 1.00 51.21 C ATOM 1248 NZ LYS A 79 3.162 14.524 2.316 1.00 42.30 N ATOM 0 H LYS A 79 -0.670 10.435 6.129 1.00 33.23 H new ATOM 0 HA LYS A 79 -0.436 13.254 6.258 1.00 52.43 H new ATOM 0 HB2 LYS A 79 1.061 11.593 5.100 1.00 44.11 H new ATOM 0 HB3 LYS A 79 -0.217 11.260 3.949 1.00 44.11 H new ATOM 0 HG2 LYS A 79 -0.040 13.610 3.114 1.00 40.43 H new ATOM 0 HG3 LYS A 79 1.290 13.882 4.223 1.00 40.43 H new ATOM 0 HD2 LYS A 79 2.557 12.000 3.176 1.00 63.00 H new ATOM 0 HD3 LYS A 79 1.223 11.705 2.078 1.00 63.00 H new ATOM 0 HE2 LYS A 79 2.928 12.968 0.913 1.00 51.21 H new ATOM 0 HE3 LYS A 79 1.514 13.983 1.118 1.00 51.21 H new ATOM 0 HZ1 LYS A 79 3.572 15.153 1.596 1.00 42.30 H new ATOM 0 HZ2 LYS A 79 2.574 15.082 2.968 1.00 42.30 H new ATOM 0 HZ3 LYS A 79 3.926 14.062 2.849 1.00 42.30 H new ATOM 1262 N LEU A 80 -2.974 12.079 4.555 1.00 23.11 N ATOM 1263 CA LEU A 80 -4.206 12.359 3.846 1.00 61.20 C ATOM 1264 C LEU A 80 -5.327 12.711 4.831 1.00 4.13 C ATOM 1265 O LEU A 80 -5.070 12.976 6.014 1.00 1.44 O ATOM 1266 CB LEU A 80 -4.572 11.126 3.028 1.00 12.10 C ATOM 1267 CG LEU A 80 -3.565 10.751 1.942 1.00 32.44 C ATOM 1268 CD1 LEU A 80 -3.883 9.398 1.364 1.00 4.10 C ATOM 1269 CD2 LEU A 80 -3.544 11.804 0.843 1.00 44.14 C ATOM 0 H LEU A 80 -2.864 11.095 4.802 1.00 23.11 H new ATOM 0 HA LEU A 80 -4.072 13.216 3.186 1.00 61.20 H new ATOM 0 HB2 LEU A 80 -4.686 10.280 3.705 1.00 12.10 H new ATOM 0 HB3 LEU A 80 -5.543 11.293 2.561 1.00 12.10 H new ATOM 0 HG LEU A 80 -2.576 10.707 2.398 1.00 32.44 H new ATOM 0 HD11 LEU A 80 -3.153 9.151 0.593 1.00 4.10 H new ATOM 0 HD12 LEU A 80 -3.845 8.647 2.153 1.00 4.10 H new ATOM 0 HD13 LEU A 80 -4.881 9.415 0.927 1.00 4.10 H new ATOM 0 HD21 LEU A 80 -2.821 11.518 0.079 1.00 44.14 H new ATOM 0 HD22 LEU A 80 -4.534 11.881 0.394 1.00 44.14 H new ATOM 0 HD23 LEU A 80 -3.262 12.767 1.268 1.00 44.14 H new ATOM 1281 N GLY A 81 -6.558 12.726 4.351 1.00 51.34 N ATOM 1282 CA GLY A 81 -7.700 13.060 5.196 1.00 51.12 C ATOM 1283 C GLY A 81 -8.241 11.861 5.957 1.00 74.04 C ATOM 1284 O GLY A 81 -9.319 11.923 6.555 1.00 65.13 O ATOM 0 H GLY A 81 -6.796 12.512 3.383 1.00 51.34 H new ATOM 0 HA2 GLY A 81 -7.407 13.833 5.906 1.00 51.12 H new ATOM 0 HA3 GLY A 81 -8.493 13.480 4.577 1.00 51.12 H new ATOM 1288 N VAL A 82 -7.491 10.785 5.937 1.00 22.15 N ATOM 1289 CA VAL A 82 -7.853 9.549 6.604 1.00 54.34 C ATOM 1290 C VAL A 82 -6.830 9.167 7.693 1.00 42.23 C ATOM 1291 O VAL A 82 -5.919 8.378 7.464 1.00 74.33 O ATOM 1292 CB VAL A 82 -8.073 8.381 5.593 1.00 23.23 C ATOM 1293 CG1 VAL A 82 -9.419 8.528 4.904 1.00 41.31 C ATOM 1294 CG2 VAL A 82 -6.984 8.411 4.521 1.00 1.12 C ATOM 0 H VAL A 82 -6.596 10.739 5.450 1.00 22.15 H new ATOM 0 HA VAL A 82 -8.807 9.727 7.100 1.00 54.34 H new ATOM 0 HB VAL A 82 -8.038 7.441 6.144 1.00 23.23 H new ATOM 0 HG11 VAL A 82 -9.560 7.707 4.201 1.00 41.31 H new ATOM 0 HG12 VAL A 82 -10.214 8.508 5.650 1.00 41.31 H new ATOM 0 HG13 VAL A 82 -9.451 9.475 4.366 1.00 41.31 H new ATOM 0 HG21 VAL A 82 -7.143 7.593 3.818 1.00 1.12 H new ATOM 0 HG22 VAL A 82 -7.024 9.361 3.988 1.00 1.12 H new ATOM 0 HG23 VAL A 82 -6.007 8.300 4.992 1.00 1.12 H new ATOM 1304 N PRO A 83 -6.959 9.745 8.891 1.00 74.34 N ATOM 1305 CA PRO A 83 -6.004 9.544 9.949 1.00 45.51 C ATOM 1306 C PRO A 83 -6.301 8.332 10.835 1.00 12.12 C ATOM 1307 O PRO A 83 -7.301 8.290 11.568 1.00 54.43 O ATOM 1308 CB PRO A 83 -6.094 10.837 10.759 1.00 34.44 C ATOM 1309 CG PRO A 83 -7.440 11.438 10.435 1.00 31.20 C ATOM 1310 CD PRO A 83 -8.048 10.632 9.312 1.00 40.32 C ATOM 0 HA PRO A 83 -5.014 9.335 9.545 1.00 45.51 H new ATOM 0 HB2 PRO A 83 -6.003 10.636 11.826 1.00 34.44 H new ATOM 0 HB3 PRO A 83 -5.287 11.521 10.494 1.00 34.44 H new ATOM 0 HG2 PRO A 83 -8.087 11.420 11.312 1.00 31.20 H new ATOM 0 HG3 PRO A 83 -7.331 12.482 10.140 1.00 31.20 H new ATOM 0 HD2 PRO A 83 -8.917 10.067 9.650 1.00 40.32 H new ATOM 0 HD3 PRO A 83 -8.382 11.272 8.495 1.00 40.32 H new ATOM 1318 N LYS A 84 -5.445 7.344 10.751 1.00 60.32 N ATOM 1319 CA LYS A 84 -5.543 6.189 11.611 1.00 43.22 C ATOM 1320 C LYS A 84 -4.494 6.243 12.701 1.00 11.22 C ATOM 1321 O LYS A 84 -3.327 6.572 12.443 1.00 4.10 O ATOM 1322 CB LYS A 84 -5.472 4.846 10.845 1.00 12.31 C ATOM 1323 CG LYS A 84 -6.742 4.440 10.074 1.00 41.53 C ATOM 1324 CD LYS A 84 -7.126 5.411 8.968 1.00 43.44 C ATOM 1325 CE LYS A 84 -8.377 4.946 8.238 1.00 54.14 C ATOM 1326 NZ LYS A 84 -9.551 4.892 9.134 1.00 50.13 N ATOM 0 H LYS A 84 -4.667 7.316 10.092 1.00 60.32 H new ATOM 0 HA LYS A 84 -6.533 6.228 12.066 1.00 43.22 H new ATOM 0 HB2 LYS A 84 -4.643 4.897 10.139 1.00 12.31 H new ATOM 0 HB3 LYS A 84 -5.236 4.056 11.558 1.00 12.31 H new ATOM 0 HG2 LYS A 84 -6.592 3.451 9.641 1.00 41.53 H new ATOM 0 HG3 LYS A 84 -7.571 4.358 10.776 1.00 41.53 H new ATOM 0 HD2 LYS A 84 -7.296 6.401 9.392 1.00 43.44 H new ATOM 0 HD3 LYS A 84 -6.302 5.505 8.260 1.00 43.44 H new ATOM 0 HE2 LYS A 84 -8.585 5.621 7.408 1.00 54.14 H new ATOM 0 HE3 LYS A 84 -8.202 3.959 7.810 1.00 54.14 H new ATOM 0 HZ1 LYS A 84 -10.418 4.805 8.566 1.00 50.13 H new ATOM 0 HZ2 LYS A 84 -9.468 4.071 9.766 1.00 50.13 H new ATOM 0 HZ3 LYS A 84 -9.595 5.763 9.701 1.00 50.13 H new ATOM 1340 N THR A 85 -4.916 5.956 13.902 1.00 42.12 N ATOM 1341 CA THR A 85 -4.048 5.927 15.051 1.00 12.11 C ATOM 1342 C THR A 85 -3.285 4.577 15.042 1.00 60.01 C ATOM 1343 O THR A 85 -3.729 3.637 14.389 1.00 71.22 O ATOM 1344 CB THR A 85 -4.898 6.091 16.340 1.00 61.31 C ATOM 1345 OG1 THR A 85 -5.749 7.245 16.189 1.00 54.15 O ATOM 1346 CG2 THR A 85 -4.017 6.327 17.550 1.00 60.32 C ATOM 0 H THR A 85 -5.888 5.732 14.115 1.00 42.12 H new ATOM 0 HA THR A 85 -3.327 6.744 15.022 1.00 12.11 H new ATOM 0 HB THR A 85 -5.476 5.178 16.486 1.00 61.31 H new ATOM 0 HG1 THR A 85 -6.293 7.358 16.996 1.00 54.15 H new ATOM 0 HG21 THR A 85 -4.640 6.438 18.438 1.00 60.32 H new ATOM 0 HG22 THR A 85 -3.345 5.479 17.682 1.00 60.32 H new ATOM 0 HG23 THR A 85 -3.431 7.234 17.402 1.00 60.32 H new ATOM 1354 N HIS A 86 -2.165 4.499 15.762 1.00 40.15 N ATOM 1355 CA HIS A 86 -1.259 3.339 15.741 1.00 43.41 C ATOM 1356 C HIS A 86 -1.972 1.971 15.865 1.00 31.40 C ATOM 1357 O HIS A 86 -1.829 1.128 14.975 1.00 72.41 O ATOM 1358 CB HIS A 86 -0.166 3.480 16.818 1.00 43.33 C ATOM 1359 CG HIS A 86 0.861 2.387 16.788 1.00 52.43 C ATOM 1360 ND1 HIS A 86 0.937 1.389 17.731 1.00 71.11 N ATOM 1361 CD2 HIS A 86 1.864 2.149 15.917 1.00 51.11 C ATOM 1362 CE1 HIS A 86 1.938 0.586 17.437 1.00 1.11 C ATOM 1363 NE2 HIS A 86 2.514 1.026 16.344 1.00 74.22 N ATOM 0 H HIS A 86 -1.854 5.245 16.384 1.00 40.15 H new ATOM 0 HA HIS A 86 -0.801 3.344 14.752 1.00 43.41 H new ATOM 0 HB2 HIS A 86 0.335 4.440 16.690 1.00 43.33 H new ATOM 0 HB3 HIS A 86 -0.638 3.495 17.801 1.00 43.33 H new ATOM 0 HD2 HIS A 86 2.108 2.737 15.045 1.00 51.11 H new ATOM 0 HE1 HIS A 86 2.234 -0.287 18.000 1.00 1.11 H new ATOM 0 HE2 HIS A 86 3.319 0.598 15.886 1.00 74.22 H new ATOM 1372 N LEU A 87 -2.723 1.754 16.938 1.00 4.31 N ATOM 1373 CA LEU A 87 -3.389 0.460 17.132 1.00 65.14 C ATOM 1374 C LEU A 87 -4.495 0.272 16.102 1.00 53.20 C ATOM 1375 O LEU A 87 -4.621 -0.796 15.533 1.00 42.22 O ATOM 1376 CB LEU A 87 -3.888 0.294 18.603 1.00 42.44 C ATOM 1377 CG LEU A 87 -4.506 -1.076 19.033 1.00 13.13 C ATOM 1378 CD1 LEU A 87 -4.600 -1.137 20.541 1.00 0.34 C ATOM 1379 CD2 LEU A 87 -5.909 -1.279 18.460 1.00 30.31 C ATOM 0 H LEU A 87 -2.888 2.438 17.677 1.00 4.31 H new ATOM 0 HA LEU A 87 -2.664 -0.338 16.969 1.00 65.14 H new ATOM 0 HB2 LEU A 87 -3.046 0.499 19.264 1.00 42.44 H new ATOM 0 HB3 LEU A 87 -4.634 1.067 18.789 1.00 42.44 H new ATOM 0 HG LEU A 87 -3.855 -1.860 18.646 1.00 13.13 H new ATOM 0 HD11 LEU A 87 -5.031 -2.092 20.840 1.00 0.34 H new ATOM 0 HD12 LEU A 87 -3.604 -1.037 20.972 1.00 0.34 H new ATOM 0 HD13 LEU A 87 -5.233 -0.325 20.899 1.00 0.34 H new ATOM 0 HD21 LEU A 87 -6.299 -2.244 18.785 1.00 30.31 H new ATOM 0 HD22 LEU A 87 -6.565 -0.484 18.815 1.00 30.31 H new ATOM 0 HD23 LEU A 87 -5.865 -1.254 17.371 1.00 30.31 H new ATOM 1391 N GLU A 88 -5.246 1.341 15.848 1.00 51.31 N ATOM 1392 CA GLU A 88 -6.362 1.369 14.878 1.00 63.41 C ATOM 1393 C GLU A 88 -5.870 0.884 13.498 1.00 0.13 C ATOM 1394 O GLU A 88 -6.498 0.058 12.831 1.00 53.20 O ATOM 1395 CB GLU A 88 -6.816 2.833 14.754 1.00 24.20 C ATOM 1396 CG GLU A 88 -8.011 3.090 13.860 1.00 12.54 C ATOM 1397 CD GLU A 88 -9.287 2.527 14.419 1.00 2.54 C ATOM 1398 OE1 GLU A 88 -9.853 3.146 15.343 1.00 54.43 O ATOM 1399 OE2 GLU A 88 -9.748 1.477 13.950 1.00 71.52 O ATOM 0 H GLU A 88 -5.101 2.236 16.315 1.00 51.31 H new ATOM 0 HA GLU A 88 -7.174 0.723 15.211 1.00 63.41 H new ATOM 0 HB2 GLU A 88 -7.049 3.205 15.752 1.00 24.20 H new ATOM 0 HB3 GLU A 88 -5.977 3.421 14.382 1.00 24.20 H new ATOM 0 HG2 GLU A 88 -8.126 4.164 13.714 1.00 12.54 H new ATOM 0 HG3 GLU A 88 -7.826 2.653 12.879 1.00 12.54 H new ATOM 1406 N LEU A 89 -4.744 1.420 13.114 1.00 12.31 N ATOM 1407 CA LEU A 89 -4.095 1.135 11.858 1.00 31.35 C ATOM 1408 C LEU A 89 -3.563 -0.293 11.801 1.00 5.23 C ATOM 1409 O LEU A 89 -3.844 -1.043 10.857 1.00 24.42 O ATOM 1410 CB LEU A 89 -2.918 2.071 11.759 1.00 12.44 C ATOM 1411 CG LEU A 89 -2.010 1.909 10.575 1.00 23.24 C ATOM 1412 CD1 LEU A 89 -2.710 2.292 9.296 1.00 13.45 C ATOM 1413 CD2 LEU A 89 -0.783 2.720 10.788 1.00 22.32 C ATOM 0 H LEU A 89 -4.233 2.092 13.686 1.00 12.31 H new ATOM 0 HA LEU A 89 -4.813 1.259 11.047 1.00 31.35 H new ATOM 0 HB2 LEU A 89 -3.298 3.093 11.756 1.00 12.44 H new ATOM 0 HB3 LEU A 89 -2.319 1.957 12.662 1.00 12.44 H new ATOM 0 HG LEU A 89 -1.728 0.860 10.478 1.00 23.24 H new ATOM 0 HD11 LEU A 89 -2.028 2.165 8.456 1.00 13.45 H new ATOM 0 HD12 LEU A 89 -3.583 1.655 9.154 1.00 13.45 H new ATOM 0 HD13 LEU A 89 -3.026 3.334 9.352 1.00 13.45 H new ATOM 0 HD21 LEU A 89 -0.119 2.607 9.931 1.00 22.32 H new ATOM 0 HD22 LEU A 89 -1.055 3.769 10.900 1.00 22.32 H new ATOM 0 HD23 LEU A 89 -0.274 2.379 11.689 1.00 22.32 H new ATOM 1425 N LYS A 90 -2.823 -0.666 12.827 1.00 5.44 N ATOM 1426 CA LYS A 90 -2.156 -1.952 12.869 1.00 2.12 C ATOM 1427 C LYS A 90 -3.190 -3.081 12.958 1.00 4.33 C ATOM 1428 O LYS A 90 -2.974 -4.203 12.490 1.00 12.20 O ATOM 1429 CB LYS A 90 -1.238 -2.000 14.065 1.00 14.10 C ATOM 1430 CG LYS A 90 -0.303 -3.171 14.047 1.00 62.20 C ATOM 1431 CD LYS A 90 0.519 -3.210 15.304 1.00 42.12 C ATOM 1432 CE LYS A 90 1.494 -4.370 15.285 1.00 40.35 C ATOM 1433 NZ LYS A 90 2.301 -4.442 16.521 1.00 72.14 N ATOM 0 H LYS A 90 -2.668 -0.088 13.653 1.00 5.44 H new ATOM 0 HA LYS A 90 -1.573 -2.084 11.958 1.00 2.12 H new ATOM 0 HB2 LYS A 90 -0.656 -1.079 14.105 1.00 14.10 H new ATOM 0 HB3 LYS A 90 -1.838 -2.037 14.974 1.00 14.10 H new ATOM 0 HG2 LYS A 90 -0.871 -4.096 13.949 1.00 62.20 H new ATOM 0 HG3 LYS A 90 0.353 -3.106 13.179 1.00 62.20 H new ATOM 0 HD2 LYS A 90 1.066 -2.273 15.413 1.00 42.12 H new ATOM 0 HD3 LYS A 90 -0.138 -3.298 16.169 1.00 42.12 H new ATOM 0 HE2 LYS A 90 0.944 -5.302 15.157 1.00 40.35 H new ATOM 0 HE3 LYS A 90 2.157 -4.271 14.426 1.00 40.35 H new ATOM 0 HZ1 LYS A 90 2.953 -5.250 16.463 1.00 72.14 H new ATOM 0 HZ2 LYS A 90 2.847 -3.564 16.631 1.00 72.14 H new ATOM 0 HZ3 LYS A 90 1.672 -4.563 17.340 1.00 72.14 H new ATOM 1447 N LYS A 91 -4.313 -2.747 13.548 1.00 64.13 N ATOM 1448 CA LYS A 91 -5.458 -3.645 13.722 1.00 65.44 C ATOM 1449 C LYS A 91 -5.972 -4.097 12.359 1.00 2.23 C ATOM 1450 O LYS A 91 -6.404 -5.237 12.191 1.00 53.30 O ATOM 1451 CB LYS A 91 -6.561 -2.870 14.495 1.00 61.11 C ATOM 1452 CG LYS A 91 -7.916 -3.560 14.801 1.00 2.04 C ATOM 1453 CD LYS A 91 -7.816 -4.809 15.695 1.00 55.11 C ATOM 1454 CE LYS A 91 -7.484 -6.067 14.910 1.00 4.31 C ATOM 1455 NZ LYS A 91 -8.569 -6.438 13.973 1.00 24.22 N ATOM 0 H LYS A 91 -4.472 -1.817 13.936 1.00 64.13 H new ATOM 0 HA LYS A 91 -5.169 -4.533 14.283 1.00 65.44 H new ATOM 0 HB2 LYS A 91 -6.133 -2.558 15.447 1.00 61.11 H new ATOM 0 HB3 LYS A 91 -6.778 -1.963 13.930 1.00 61.11 H new ATOM 0 HG2 LYS A 91 -8.575 -2.838 15.282 1.00 2.04 H new ATOM 0 HG3 LYS A 91 -8.386 -3.842 13.858 1.00 2.04 H new ATOM 0 HD2 LYS A 91 -7.051 -4.647 16.454 1.00 55.11 H new ATOM 0 HD3 LYS A 91 -8.761 -4.952 16.220 1.00 55.11 H new ATOM 0 HE2 LYS A 91 -6.560 -5.913 14.352 1.00 4.31 H new ATOM 0 HE3 LYS A 91 -7.305 -6.890 15.602 1.00 4.31 H new ATOM 0 HZ1 LYS A 91 -8.614 -7.473 13.886 1.00 24.22 H new ATOM 0 HZ2 LYS A 91 -9.477 -6.081 14.334 1.00 24.22 H new ATOM 0 HZ3 LYS A 91 -8.380 -6.020 13.040 1.00 24.22 H new ATOM 1469 N LEU A 92 -5.879 -3.227 11.387 1.00 12.45 N ATOM 1470 CA LEU A 92 -6.361 -3.536 10.066 1.00 11.12 C ATOM 1471 C LEU A 92 -5.433 -4.501 9.353 1.00 32.22 C ATOM 1472 O LEU A 92 -5.885 -5.460 8.716 1.00 41.21 O ATOM 1473 CB LEU A 92 -6.536 -2.274 9.248 1.00 3.21 C ATOM 1474 CG LEU A 92 -7.441 -1.212 9.851 1.00 53.54 C ATOM 1475 CD1 LEU A 92 -7.674 -0.099 8.864 1.00 15.54 C ATOM 1476 CD2 LEU A 92 -8.751 -1.819 10.290 1.00 72.20 C ATOM 0 H LEU A 92 -5.473 -2.297 11.486 1.00 12.45 H new ATOM 0 HA LEU A 92 -7.333 -4.018 10.175 1.00 11.12 H new ATOM 0 HB2 LEU A 92 -5.553 -1.834 9.080 1.00 3.21 H new ATOM 0 HB3 LEU A 92 -6.933 -2.550 8.271 1.00 3.21 H new ATOM 0 HG LEU A 92 -6.948 -0.795 10.729 1.00 53.54 H new ATOM 0 HD11 LEU A 92 -8.324 0.653 9.311 1.00 15.54 H new ATOM 0 HD12 LEU A 92 -6.720 0.357 8.598 1.00 15.54 H new ATOM 0 HD13 LEU A 92 -8.147 -0.501 7.968 1.00 15.54 H new ATOM 0 HD21 LEU A 92 -9.386 -1.044 10.719 1.00 72.20 H new ATOM 0 HD22 LEU A 92 -9.252 -2.264 9.430 1.00 72.20 H new ATOM 0 HD23 LEU A 92 -8.563 -2.589 11.038 1.00 72.20 H new ATOM 1488 N ILE A 93 -4.145 -4.264 9.470 1.00 4.31 N ATOM 1489 CA ILE A 93 -3.166 -5.129 8.845 1.00 24.25 C ATOM 1490 C ILE A 93 -3.114 -6.474 9.553 1.00 1.54 C ATOM 1491 O ILE A 93 -2.945 -7.531 8.918 1.00 0.11 O ATOM 1492 CB ILE A 93 -1.761 -4.481 8.792 1.00 65.33 C ATOM 1493 CG1 ILE A 93 -1.814 -3.204 7.943 1.00 1.30 C ATOM 1494 CG2 ILE A 93 -0.726 -5.462 8.253 1.00 74.22 C ATOM 1495 CD1 ILE A 93 -0.472 -2.544 7.731 1.00 64.42 C ATOM 0 H ILE A 93 -3.751 -3.481 9.991 1.00 4.31 H new ATOM 0 HA ILE A 93 -3.483 -5.286 7.814 1.00 24.25 H new ATOM 0 HB ILE A 93 -1.456 -4.215 9.804 1.00 65.33 H new ATOM 0 HG12 ILE A 93 -2.245 -3.445 6.971 1.00 1.30 H new ATOM 0 HG13 ILE A 93 -2.485 -2.491 8.421 1.00 1.30 H new ATOM 0 HG21 ILE A 93 0.252 -4.981 8.226 1.00 74.22 H new ATOM 0 HG22 ILE A 93 -0.682 -6.337 8.901 1.00 74.22 H new ATOM 0 HG23 ILE A 93 -1.006 -5.770 7.246 1.00 74.22 H new ATOM 0 HD11 ILE A 93 -0.599 -1.649 7.121 1.00 64.42 H new ATOM 0 HD12 ILE A 93 -0.046 -2.268 8.696 1.00 64.42 H new ATOM 0 HD13 ILE A 93 0.198 -3.237 7.223 1.00 64.42 H new ATOM 1507 N GLY A 94 -3.292 -6.439 10.858 1.00 45.30 N ATOM 1508 CA GLY A 94 -3.320 -7.656 11.637 1.00 73.00 C ATOM 1509 C GLY A 94 -4.520 -8.493 11.317 1.00 11.40 C ATOM 1510 O GLY A 94 -4.506 -9.709 11.490 1.00 20.21 O ATOM 0 H GLY A 94 -3.419 -5.583 11.398 1.00 45.30 H new ATOM 0 HA2 GLY A 94 -2.414 -8.231 11.446 1.00 73.00 H new ATOM 0 HA3 GLY A 94 -3.322 -7.408 12.698 1.00 73.00 H new ATOM 1514 N GLU A 95 -5.548 -7.848 10.827 1.00 75.31 N ATOM 1515 CA GLU A 95 -6.737 -8.531 10.442 1.00 50.51 C ATOM 1516 C GLU A 95 -6.452 -9.287 9.124 1.00 33.30 C ATOM 1517 O GLU A 95 -6.678 -10.492 9.032 1.00 1.20 O ATOM 1518 CB GLU A 95 -7.872 -7.523 10.265 1.00 11.03 C ATOM 1519 CG GLU A 95 -9.246 -8.141 10.184 1.00 15.24 C ATOM 1520 CD GLU A 95 -9.647 -8.800 11.475 1.00 2.43 C ATOM 1521 OE1 GLU A 95 -9.363 -9.975 11.667 1.00 53.45 O ATOM 1522 OE2 GLU A 95 -10.254 -8.129 12.327 1.00 51.40 O ATOM 0 H GLU A 95 -5.576 -6.838 10.688 1.00 75.31 H new ATOM 0 HA GLU A 95 -7.040 -9.244 11.208 1.00 50.51 H new ATOM 0 HB2 GLU A 95 -7.851 -6.821 11.098 1.00 11.03 H new ATOM 0 HB3 GLU A 95 -7.692 -6.947 9.358 1.00 11.03 H new ATOM 0 HG2 GLU A 95 -9.975 -7.372 9.929 1.00 15.24 H new ATOM 0 HG3 GLU A 95 -9.265 -8.877 9.380 1.00 15.24 H new ATOM 1529 N VAL A 96 -5.901 -8.564 8.126 1.00 42.04 N ATOM 1530 CA VAL A 96 -5.544 -9.164 6.815 1.00 30.35 C ATOM 1531 C VAL A 96 -4.567 -10.316 6.976 1.00 62.52 C ATOM 1532 O VAL A 96 -4.813 -11.427 6.491 1.00 73.23 O ATOM 1533 CB VAL A 96 -4.902 -8.087 5.847 1.00 25.23 C ATOM 1534 CG1 VAL A 96 -4.157 -8.734 4.700 1.00 35.05 C ATOM 1535 CG2 VAL A 96 -5.953 -7.229 5.237 1.00 72.44 C ATOM 0 H VAL A 96 -5.693 -7.568 8.199 1.00 42.04 H new ATOM 0 HA VAL A 96 -6.472 -9.538 6.382 1.00 30.35 H new ATOM 0 HB VAL A 96 -4.218 -7.501 6.462 1.00 25.23 H new ATOM 0 HG11 VAL A 96 -3.732 -7.961 4.060 1.00 35.05 H new ATOM 0 HG12 VAL A 96 -3.356 -9.360 5.093 1.00 35.05 H new ATOM 0 HG13 VAL A 96 -4.845 -9.348 4.119 1.00 35.05 H new ATOM 0 HG21 VAL A 96 -5.487 -6.497 4.577 1.00 72.44 H new ATOM 0 HG22 VAL A 96 -6.642 -7.849 4.663 1.00 72.44 H new ATOM 0 HG23 VAL A 96 -6.501 -6.710 6.024 1.00 72.44 H new ATOM 1545 N SER A 97 -3.515 -10.077 7.719 1.00 62.52 N ATOM 1546 CA SER A 97 -2.479 -11.052 7.863 1.00 73.11 C ATOM 1547 C SER A 97 -2.918 -12.218 8.739 1.00 54.04 C ATOM 1548 O SER A 97 -2.437 -13.335 8.570 1.00 4.11 O ATOM 1549 CB SER A 97 -1.209 -10.396 8.373 1.00 21.22 C ATOM 1550 OG SER A 97 -1.448 -9.678 9.578 1.00 72.13 O ATOM 0 H SER A 97 -3.359 -9.210 8.233 1.00 62.52 H new ATOM 0 HA SER A 97 -2.266 -11.474 6.881 1.00 73.11 H new ATOM 0 HB2 SER A 97 -0.448 -11.157 8.545 1.00 21.22 H new ATOM 0 HB3 SER A 97 -0.817 -9.718 7.615 1.00 21.22 H new ATOM 0 HG SER A 97 -1.805 -8.791 9.365 1.00 72.13 H new ATOM 1556 N SER A 98 -3.831 -11.935 9.684 1.00 74.24 N ATOM 1557 CA SER A 98 -4.412 -12.944 10.570 1.00 22.31 C ATOM 1558 C SER A 98 -3.353 -13.584 11.491 1.00 54.24 C ATOM 1559 O SER A 98 -3.580 -14.657 12.061 1.00 53.13 O ATOM 1560 CB SER A 98 -5.131 -14.020 9.732 1.00 3.20 C ATOM 1561 OG SER A 98 -6.134 -13.434 8.891 1.00 24.41 O ATOM 0 H SER A 98 -4.185 -10.993 9.851 1.00 74.24 H new ATOM 0 HA SER A 98 -5.136 -12.448 11.217 1.00 22.31 H new ATOM 0 HB2 SER A 98 -4.405 -14.554 9.119 1.00 3.20 H new ATOM 0 HB3 SER A 98 -5.590 -14.754 10.394 1.00 3.20 H new ATOM 0 HG SER A 98 -6.195 -12.473 9.075 1.00 24.41 H new ATOM 1567 N GLY A 99 -2.237 -12.896 11.689 1.00 41.23 N ATOM 1568 CA GLY A 99 -1.186 -13.452 12.508 1.00 0.22 C ATOM 1569 C GLY A 99 0.093 -12.649 12.460 1.00 53.31 C ATOM 1570 O GLY A 99 0.834 -12.605 13.436 1.00 30.44 O ATOM 0 H GLY A 99 -2.044 -11.973 11.301 1.00 41.23 H new ATOM 0 HA2 GLY A 99 -1.531 -13.512 13.540 1.00 0.22 H new ATOM 0 HA3 GLY A 99 -0.980 -14.471 12.181 1.00 0.22 H new ATOM 1574 N SER A 100 0.364 -12.028 11.333 1.00 75.41 N ATOM 1575 CA SER A 100 1.566 -11.233 11.185 1.00 54.25 C ATOM 1576 C SER A 100 1.416 -9.907 11.959 1.00 41.42 C ATOM 1577 O SER A 100 2.260 -9.551 12.805 1.00 70.20 O ATOM 1578 CB SER A 100 1.807 -10.973 9.710 1.00 44.34 C ATOM 1579 OG SER A 100 1.673 -12.179 8.954 1.00 64.14 O ATOM 0 H SER A 100 -0.231 -12.057 10.505 1.00 75.41 H new ATOM 0 HA SER A 100 2.421 -11.770 11.595 1.00 54.25 H new ATOM 0 HB2 SER A 100 1.098 -10.230 9.346 1.00 44.34 H new ATOM 0 HB3 SER A 100 2.805 -10.558 9.567 1.00 44.34 H new ATOM 0 HG SER A 100 1.830 -11.990 8.005 1.00 64.14 H new ATOM 1585 N GLY A 101 0.350 -9.177 11.660 1.00 61.42 N ATOM 1586 CA GLY A 101 0.050 -7.963 12.386 1.00 71.33 C ATOM 1587 C GLY A 101 0.679 -6.714 11.821 1.00 43.42 C ATOM 1588 O GLY A 101 0.084 -5.645 11.869 1.00 54.22 O ATOM 0 H GLY A 101 -0.315 -9.408 10.922 1.00 61.42 H new ATOM 0 HA2 GLY A 101 -1.031 -7.829 12.410 1.00 71.33 H new ATOM 0 HA3 GLY A 101 0.379 -8.083 13.418 1.00 71.33 H new ATOM 1592 N GLU A 102 1.858 -6.837 11.269 1.00 42.11 N ATOM 1593 CA GLU A 102 2.598 -5.663 10.870 1.00 52.22 C ATOM 1594 C GLU A 102 2.635 -5.437 9.378 1.00 63.31 C ATOM 1595 O GLU A 102 2.620 -4.303 8.942 1.00 51.23 O ATOM 1596 CB GLU A 102 4.001 -5.709 11.457 1.00 1.40 C ATOM 1597 CG GLU A 102 3.995 -5.696 12.968 1.00 50.31 C ATOM 1598 CD GLU A 102 5.342 -5.910 13.579 1.00 2.12 C ATOM 1599 OE1 GLU A 102 6.137 -4.960 13.637 1.00 74.15 O ATOM 1600 OE2 GLU A 102 5.605 -7.026 14.060 1.00 71.30 O ATOM 0 H GLU A 102 2.324 -7.726 11.086 1.00 42.11 H new ATOM 0 HA GLU A 102 2.061 -4.805 11.274 1.00 52.22 H new ATOM 0 HB2 GLU A 102 4.509 -6.607 11.106 1.00 1.40 H new ATOM 0 HB3 GLU A 102 4.573 -4.856 11.091 1.00 1.40 H new ATOM 0 HG2 GLU A 102 3.598 -4.741 13.312 1.00 50.31 H new ATOM 0 HG3 GLU A 102 3.317 -6.471 13.326 1.00 50.31 H new ATOM 1607 N THR A 103 2.677 -6.489 8.593 1.00 44.32 N ATOM 1608 CA THR A 103 2.809 -6.325 7.158 1.00 2.42 C ATOM 1609 C THR A 103 1.827 -7.231 6.390 1.00 14.13 C ATOM 1610 O THR A 103 1.555 -8.358 6.817 1.00 54.33 O ATOM 1611 CB THR A 103 4.256 -6.666 6.740 1.00 14.35 C ATOM 1612 OG1 THR A 103 5.167 -5.973 7.610 1.00 61.50 O ATOM 1613 CG2 THR A 103 4.518 -6.207 5.328 1.00 2.01 C ATOM 0 H THR A 103 2.623 -7.455 8.915 1.00 44.32 H new ATOM 0 HA THR A 103 2.575 -5.290 6.910 1.00 2.42 H new ATOM 0 HB THR A 103 4.395 -7.745 6.805 1.00 14.35 H new ATOM 0 HG1 THR A 103 6.089 -6.184 7.354 1.00 61.50 H new ATOM 0 HG21 THR A 103 5.542 -6.455 5.049 1.00 2.01 H new ATOM 0 HG22 THR A 103 3.826 -6.705 4.649 1.00 2.01 H new ATOM 0 HG23 THR A 103 4.375 -5.128 5.264 1.00 2.01 H new ATOM 1621 N PHE A 104 1.285 -6.720 5.284 1.00 33.14 N ATOM 1622 CA PHE A 104 0.408 -7.498 4.416 1.00 3.40 C ATOM 1623 C PHE A 104 0.941 -7.477 2.992 1.00 71.22 C ATOM 1624 O PHE A 104 1.932 -6.794 2.697 1.00 62.44 O ATOM 1625 CB PHE A 104 -1.054 -6.981 4.433 1.00 32.50 C ATOM 1626 CG PHE A 104 -1.277 -5.575 3.903 1.00 11.51 C ATOM 1627 CD1 PHE A 104 -1.142 -4.476 4.724 1.00 54.33 C ATOM 1628 CD2 PHE A 104 -1.649 -5.368 2.581 1.00 3.13 C ATOM 1629 CE1 PHE A 104 -1.367 -3.201 4.248 1.00 0.24 C ATOM 1630 CE2 PHE A 104 -1.869 -4.094 2.101 1.00 4.02 C ATOM 1631 CZ PHE A 104 -1.732 -3.010 2.936 1.00 30.43 C ATOM 0 H PHE A 104 1.441 -5.763 4.969 1.00 33.14 H new ATOM 0 HA PHE A 104 0.398 -8.518 4.799 1.00 3.40 H new ATOM 0 HB2 PHE A 104 -1.667 -7.668 3.849 1.00 32.50 H new ATOM 0 HB3 PHE A 104 -1.419 -7.022 5.459 1.00 32.50 H new ATOM 0 HD1 PHE A 104 -0.856 -4.615 5.756 1.00 54.33 H new ATOM 0 HD2 PHE A 104 -1.767 -6.215 1.921 1.00 3.13 H new ATOM 0 HE1 PHE A 104 -1.256 -2.352 4.906 1.00 0.24 H new ATOM 0 HE2 PHE A 104 -2.149 -3.947 1.068 1.00 4.02 H new ATOM 0 HZ PHE A 104 -1.910 -2.012 2.563 1.00 30.43 H new ATOM 1641 N SER A 105 0.295 -8.210 2.118 1.00 31.15 N ATOM 1642 CA SER A 105 0.669 -8.249 0.728 1.00 73.12 C ATOM 1643 C SER A 105 -0.568 -8.078 -0.159 1.00 22.12 C ATOM 1644 O SER A 105 -1.707 -8.267 0.304 1.00 64.44 O ATOM 1645 CB SER A 105 1.395 -9.553 0.412 1.00 10.43 C ATOM 1646 OG SER A 105 2.600 -9.667 1.171 1.00 33.44 O ATOM 0 H SER A 105 -0.506 -8.797 2.352 1.00 31.15 H new ATOM 0 HA SER A 105 1.351 -7.424 0.522 1.00 73.12 H new ATOM 0 HB2 SER A 105 0.743 -10.398 0.630 1.00 10.43 H new ATOM 0 HB3 SER A 105 1.626 -9.595 -0.652 1.00 10.43 H new ATOM 0 HG SER A 105 3.046 -10.512 0.952 1.00 33.44 H new ATOM 1652 N TYR A 106 -0.330 -7.733 -1.417 1.00 51.23 N ATOM 1653 CA TYR A 106 -1.369 -7.464 -2.416 1.00 53.11 C ATOM 1654 C TYR A 106 -2.386 -8.628 -2.542 1.00 54.23 C ATOM 1655 O TYR A 106 -3.594 -8.390 -2.441 1.00 52.52 O ATOM 1656 CB TYR A 106 -0.711 -7.148 -3.780 1.00 3.45 C ATOM 1657 CG TYR A 106 -1.607 -6.527 -4.832 1.00 63.04 C ATOM 1658 CD1 TYR A 106 -2.480 -7.271 -5.596 1.00 12.33 C ATOM 1659 CD2 TYR A 106 -1.533 -5.184 -5.070 1.00 32.32 C ATOM 1660 CE1 TYR A 106 -3.252 -6.669 -6.575 1.00 14.04 C ATOM 1661 CE2 TYR A 106 -2.288 -4.567 -6.027 1.00 3.31 C ATOM 1662 CZ TYR A 106 -3.148 -5.315 -6.785 1.00 23.01 C ATOM 1663 OH TYR A 106 -3.906 -4.713 -7.741 1.00 34.33 O ATOM 0 H TYR A 106 0.615 -7.628 -1.786 1.00 51.23 H new ATOM 0 HA TYR A 106 -1.938 -6.596 -2.081 1.00 53.11 H new ATOM 0 HB2 TYR A 106 0.129 -6.476 -3.606 1.00 3.45 H new ATOM 0 HB3 TYR A 106 -0.300 -8.073 -4.184 1.00 3.45 H new ATOM 0 HD1 TYR A 106 -2.563 -8.335 -5.429 1.00 12.33 H new ATOM 0 HD2 TYR A 106 -0.853 -4.588 -4.480 1.00 32.32 H new ATOM 0 HE1 TYR A 106 -3.932 -7.260 -7.170 1.00 14.04 H new ATOM 0 HE2 TYR A 106 -2.207 -3.501 -6.184 1.00 3.31 H new ATOM 0 HH TYR A 106 -4.705 -5.253 -7.913 1.00 34.33 H new ATOM 1673 N PRO A 107 -1.934 -9.919 -2.745 1.00 60.33 N ATOM 1674 CA PRO A 107 -2.863 -11.036 -2.887 1.00 3.32 C ATOM 1675 C PRO A 107 -3.700 -11.250 -1.634 1.00 52.42 C ATOM 1676 O PRO A 107 -4.866 -11.600 -1.729 1.00 1.23 O ATOM 1677 CB PRO A 107 -1.957 -12.252 -3.137 1.00 23.20 C ATOM 1678 CG PRO A 107 -0.678 -11.674 -3.611 1.00 62.24 C ATOM 1679 CD PRO A 107 -0.528 -10.388 -2.867 1.00 74.10 C ATOM 0 HA PRO A 107 -3.579 -10.860 -3.690 1.00 3.32 H new ATOM 0 HB2 PRO A 107 -1.815 -12.835 -2.227 1.00 23.20 H new ATOM 0 HB3 PRO A 107 -2.389 -12.922 -3.880 1.00 23.20 H new ATOM 0 HG2 PRO A 107 0.156 -12.345 -3.408 1.00 62.24 H new ATOM 0 HG3 PRO A 107 -0.697 -11.506 -4.688 1.00 62.24 H new ATOM 0 HD2 PRO A 107 -0.064 -10.535 -1.892 1.00 74.10 H new ATOM 0 HD3 PRO A 107 0.092 -9.675 -3.411 1.00 74.10 H new ATOM 1687 N ASP A 108 -3.114 -10.982 -0.457 1.00 41.34 N ATOM 1688 CA ASP A 108 -3.816 -11.218 0.818 1.00 2.24 C ATOM 1689 C ASP A 108 -4.937 -10.226 0.946 1.00 74.34 C ATOM 1690 O ASP A 108 -6.055 -10.565 1.357 1.00 42.03 O ATOM 1691 CB ASP A 108 -2.894 -11.044 2.029 1.00 14.31 C ATOM 1692 CG ASP A 108 -3.402 -11.814 3.231 1.00 33.14 C ATOM 1693 OD1 ASP A 108 -4.519 -11.576 3.671 1.00 64.14 O ATOM 1694 OD2 ASP A 108 -2.690 -12.724 3.707 1.00 63.01 O ATOM 0 H ASP A 108 -2.170 -10.607 -0.359 1.00 41.34 H new ATOM 0 HA ASP A 108 -4.181 -12.245 0.806 1.00 2.24 H new ATOM 0 HB2 ASP A 108 -1.890 -11.385 1.775 1.00 14.31 H new ATOM 0 HB3 ASP A 108 -2.817 -9.986 2.280 1.00 14.31 H new ATOM 1699 N PHE A 109 -4.640 -8.996 0.554 1.00 45.13 N ATOM 1700 CA PHE A 109 -5.589 -7.918 0.626 1.00 61.54 C ATOM 1701 C PHE A 109 -6.763 -8.235 -0.308 1.00 2.14 C ATOM 1702 O PHE A 109 -7.918 -8.064 0.070 1.00 44.40 O ATOM 1703 CB PHE A 109 -4.916 -6.600 0.236 1.00 43.20 C ATOM 1704 CG PHE A 109 -5.663 -5.352 0.651 1.00 53.23 C ATOM 1705 CD1 PHE A 109 -6.849 -4.986 0.049 1.00 64.21 C ATOM 1706 CD2 PHE A 109 -5.152 -4.538 1.641 1.00 15.24 C ATOM 1707 CE1 PHE A 109 -7.510 -3.830 0.426 1.00 51.33 C ATOM 1708 CE2 PHE A 109 -5.802 -3.388 2.023 1.00 12.04 C ATOM 1709 CZ PHE A 109 -6.985 -3.034 1.414 1.00 52.23 C ATOM 0 H PHE A 109 -3.731 -8.727 0.178 1.00 45.13 H new ATOM 0 HA PHE A 109 -5.961 -7.812 1.645 1.00 61.54 H new ATOM 0 HB2 PHE A 109 -3.920 -6.573 0.679 1.00 43.20 H new ATOM 0 HB3 PHE A 109 -4.784 -6.583 -0.846 1.00 43.20 H new ATOM 0 HD1 PHE A 109 -7.267 -5.610 -0.727 1.00 64.21 H new ATOM 0 HD2 PHE A 109 -4.225 -4.809 2.124 1.00 15.24 H new ATOM 0 HE1 PHE A 109 -8.437 -3.555 -0.056 1.00 51.33 H new ATOM 0 HE2 PHE A 109 -5.385 -2.764 2.799 1.00 12.04 H new ATOM 0 HZ PHE A 109 -7.499 -2.132 1.713 1.00 52.23 H new ATOM 1719 N LEU A 110 -6.458 -8.742 -1.521 1.00 63.30 N ATOM 1720 CA LEU A 110 -7.500 -9.155 -2.443 1.00 64.34 C ATOM 1721 C LEU A 110 -8.290 -10.290 -1.900 1.00 1.51 C ATOM 1722 O LEU A 110 -9.496 -10.277 -2.015 1.00 42.24 O ATOM 1723 CB LEU A 110 -6.995 -9.438 -3.864 1.00 22.24 C ATOM 1724 CG LEU A 110 -6.670 -8.208 -4.714 1.00 5.15 C ATOM 1725 CD1 LEU A 110 -6.144 -8.618 -6.081 1.00 62.20 C ATOM 1726 CD2 LEU A 110 -7.919 -7.344 -4.877 1.00 45.14 C ATOM 0 H LEU A 110 -5.507 -8.868 -1.868 1.00 63.30 H new ATOM 0 HA LEU A 110 -8.166 -8.297 -2.539 1.00 64.34 H new ATOM 0 HB2 LEU A 110 -6.099 -10.055 -3.794 1.00 22.24 H new ATOM 0 HB3 LEU A 110 -7.748 -10.028 -4.386 1.00 22.24 H new ATOM 0 HG LEU A 110 -5.896 -7.634 -4.205 1.00 5.15 H new ATOM 0 HD11 LEU A 110 -5.920 -7.727 -6.667 1.00 62.20 H new ATOM 0 HD12 LEU A 110 -5.237 -9.210 -5.959 1.00 62.20 H new ATOM 0 HD13 LEU A 110 -6.898 -9.212 -6.598 1.00 62.20 H new ATOM 0 HD21 LEU A 110 -7.680 -6.470 -5.483 1.00 45.14 H new ATOM 0 HD22 LEU A 110 -8.701 -7.924 -5.368 1.00 45.14 H new ATOM 0 HD23 LEU A 110 -8.268 -7.021 -3.896 1.00 45.14 H new ATOM 1738 N ARG A 111 -7.617 -11.261 -1.270 1.00 12.13 N ATOM 1739 CA ARG A 111 -8.310 -12.380 -0.625 1.00 51.21 C ATOM 1740 C ARG A 111 -9.311 -11.843 0.365 1.00 2.02 C ATOM 1741 O ARG A 111 -10.442 -12.273 0.410 1.00 74.42 O ATOM 1742 CB ARG A 111 -7.329 -13.319 0.098 1.00 44.33 C ATOM 1743 CG ARG A 111 -6.345 -14.022 -0.811 1.00 54.41 C ATOM 1744 CD ARG A 111 -7.047 -14.931 -1.785 1.00 54.03 C ATOM 1745 NE ARG A 111 -6.111 -15.558 -2.700 1.00 44.13 N ATOM 1746 CZ ARG A 111 -6.416 -16.536 -3.544 1.00 22.44 C ATOM 1747 NH1 ARG A 111 -7.619 -17.074 -3.522 1.00 32.54 N ATOM 1748 NH2 ARG A 111 -5.505 -16.984 -4.391 1.00 70.22 N ATOM 0 H ARG A 111 -6.600 -11.294 -1.194 1.00 12.13 H new ATOM 0 HA ARG A 111 -8.814 -12.956 -1.401 1.00 51.21 H new ATOM 0 HB2 ARG A 111 -6.773 -12.743 0.837 1.00 44.33 H new ATOM 0 HB3 ARG A 111 -7.900 -14.070 0.643 1.00 44.33 H new ATOM 0 HG2 ARG A 111 -5.761 -13.282 -1.358 1.00 54.41 H new ATOM 0 HG3 ARG A 111 -5.644 -14.602 -0.211 1.00 54.41 H new ATOM 0 HD2 ARG A 111 -7.592 -15.700 -1.238 1.00 54.03 H new ATOM 0 HD3 ARG A 111 -7.783 -14.360 -2.351 1.00 54.03 H new ATOM 0 HE ARG A 111 -5.148 -15.222 -2.694 1.00 44.13 H new ATOM 0 HH11 ARG A 111 -8.315 -16.739 -2.856 1.00 32.54 H new ATOM 0 HH12 ARG A 111 -7.854 -17.826 -4.171 1.00 32.54 H new ATOM 0 HH21 ARG A 111 -4.569 -16.578 -4.395 1.00 70.22 H new ATOM 0 HH22 ARG A 111 -5.738 -17.736 -5.040 1.00 70.22 H new ATOM 1762 N MET A 112 -8.886 -10.875 1.132 1.00 30.44 N ATOM 1763 CA MET A 112 -9.730 -10.229 2.107 1.00 31.53 C ATOM 1764 C MET A 112 -10.903 -9.518 1.405 1.00 2.11 C ATOM 1765 O MET A 112 -12.051 -9.649 1.831 1.00 34.22 O ATOM 1766 CB MET A 112 -8.863 -9.266 2.961 1.00 60.32 C ATOM 1767 CG MET A 112 -9.565 -8.499 4.088 1.00 75.34 C ATOM 1768 SD MET A 112 -10.715 -7.224 3.538 1.00 1.11 S ATOM 1769 CE MET A 112 -9.641 -6.198 2.541 1.00 35.44 C ATOM 0 H MET A 112 -7.935 -10.507 1.099 1.00 30.44 H new ATOM 0 HA MET A 112 -10.173 -10.963 2.780 1.00 31.53 H new ATOM 0 HB2 MET A 112 -8.051 -9.844 3.402 1.00 60.32 H new ATOM 0 HB3 MET A 112 -8.408 -8.538 2.290 1.00 60.32 H new ATOM 0 HG2 MET A 112 -10.106 -9.212 4.710 1.00 75.34 H new ATOM 0 HG3 MET A 112 -8.807 -8.036 4.719 1.00 75.34 H new ATOM 0 HE1 MET A 112 -10.085 -5.209 2.427 1.00 35.44 H new ATOM 0 HE2 MET A 112 -8.671 -6.106 3.029 1.00 35.44 H new ATOM 0 HE3 MET A 112 -9.512 -6.653 1.559 1.00 35.44 H new ATOM 1779 N MET A 113 -10.603 -8.809 0.310 1.00 72.24 N ATOM 1780 CA MET A 113 -11.614 -8.061 -0.456 1.00 15.12 C ATOM 1781 C MET A 113 -12.646 -8.969 -1.093 1.00 73.24 C ATOM 1782 O MET A 113 -13.837 -8.649 -1.088 1.00 62.30 O ATOM 1783 CB MET A 113 -10.980 -7.174 -1.542 1.00 12.44 C ATOM 1784 CG MET A 113 -10.066 -6.090 -1.012 1.00 63.32 C ATOM 1785 SD MET A 113 -9.329 -5.077 -2.309 1.00 52.55 S ATOM 1786 CE MET A 113 -10.767 -4.270 -3.009 1.00 10.50 C ATOM 0 H MET A 113 -9.659 -8.736 -0.070 1.00 72.24 H new ATOM 0 HA MET A 113 -12.115 -7.423 0.272 1.00 15.12 H new ATOM 0 HB2 MET A 113 -10.414 -7.807 -2.226 1.00 12.44 H new ATOM 0 HB3 MET A 113 -11.776 -6.709 -2.124 1.00 12.44 H new ATOM 0 HG2 MET A 113 -10.630 -5.448 -0.336 1.00 63.32 H new ATOM 0 HG3 MET A 113 -9.271 -6.550 -0.425 1.00 63.32 H new ATOM 0 HE1 MET A 113 -10.660 -4.211 -4.092 1.00 10.50 H new ATOM 0 HE2 MET A 113 -11.661 -4.843 -2.764 1.00 10.50 H new ATOM 0 HE3 MET A 113 -10.856 -3.265 -2.598 1.00 10.50 H new ATOM 1796 N LEU A 114 -12.200 -10.078 -1.657 1.00 74.23 N ATOM 1797 CA LEU A 114 -13.085 -11.001 -2.308 1.00 21.40 C ATOM 1798 C LEU A 114 -13.846 -11.868 -1.293 1.00 21.32 C ATOM 1799 O LEU A 114 -15.005 -12.233 -1.518 1.00 25.34 O ATOM 1800 CB LEU A 114 -12.310 -11.804 -3.393 1.00 32.14 C ATOM 1801 CG LEU A 114 -11.039 -12.557 -2.942 1.00 72.41 C ATOM 1802 CD1 LEU A 114 -11.327 -13.872 -2.250 1.00 33.24 C ATOM 1803 CD2 LEU A 114 -10.006 -12.681 -4.061 1.00 63.55 C ATOM 0 H LEU A 114 -11.218 -10.354 -1.672 1.00 74.23 H new ATOM 0 HA LEU A 114 -13.865 -10.451 -2.834 1.00 21.40 H new ATOM 0 HB2 LEU A 114 -12.996 -12.530 -3.830 1.00 32.14 H new ATOM 0 HB3 LEU A 114 -12.029 -11.113 -4.188 1.00 32.14 H new ATOM 0 HG LEU A 114 -10.583 -11.931 -2.175 1.00 72.41 H new ATOM 0 HD11 LEU A 114 -10.388 -14.345 -1.962 1.00 33.24 H new ATOM 0 HD12 LEU A 114 -11.930 -13.691 -1.360 1.00 33.24 H new ATOM 0 HD13 LEU A 114 -11.870 -14.529 -2.929 1.00 33.24 H new ATOM 0 HD21 LEU A 114 -9.132 -13.218 -3.692 1.00 63.55 H new ATOM 0 HD22 LEU A 114 -10.440 -13.227 -4.898 1.00 63.55 H new ATOM 0 HD23 LEU A 114 -9.707 -11.686 -4.392 1.00 63.55 H new ATOM 1815 N GLY A 115 -13.212 -12.152 -0.172 1.00 71.54 N ATOM 1816 CA GLY A 115 -13.840 -12.921 0.870 1.00 12.02 C ATOM 1817 C GLY A 115 -12.841 -13.784 1.601 1.00 23.52 C ATOM 1818 O GLY A 115 -12.449 -14.840 1.094 1.00 44.24 O ATOM 0 H GLY A 115 -12.258 -11.857 0.035 1.00 71.54 H new ATOM 0 HA2 GLY A 115 -14.327 -12.249 1.576 1.00 12.02 H new ATOM 0 HA3 GLY A 115 -14.619 -13.550 0.440 1.00 12.02 H new ATOM 1822 N LYS A 116 -12.414 -13.336 2.785 1.00 23.20 N ATOM 1823 CA LYS A 116 -11.438 -14.080 3.598 1.00 51.30 C ATOM 1824 C LYS A 116 -11.393 -13.519 5.019 1.00 54.21 C ATOM 1825 O LYS A 116 -11.267 -14.269 5.987 1.00 1.14 O ATOM 1826 CB LYS A 116 -10.012 -14.061 2.923 1.00 0.20 C ATOM 1827 CG LYS A 116 -8.906 -14.964 3.550 1.00 11.14 C ATOM 1828 CD LYS A 116 -8.376 -14.483 4.907 1.00 2.52 C ATOM 1829 CE LYS A 116 -7.571 -13.189 4.805 1.00 30.21 C ATOM 1830 NZ LYS A 116 -6.339 -13.367 4.019 1.00 10.20 N ATOM 0 H LYS A 116 -12.727 -12.461 3.205 1.00 23.20 H new ATOM 0 HA LYS A 116 -11.756 -15.121 3.657 1.00 51.30 H new ATOM 0 HB2 LYS A 116 -10.130 -14.350 1.879 1.00 0.20 H new ATOM 0 HB3 LYS A 116 -9.650 -13.033 2.930 1.00 0.20 H new ATOM 0 HG2 LYS A 116 -9.303 -15.972 3.667 1.00 11.14 H new ATOM 0 HG3 LYS A 116 -8.071 -15.030 2.852 1.00 11.14 H new ATOM 0 HD2 LYS A 116 -9.215 -14.331 5.586 1.00 2.52 H new ATOM 0 HD3 LYS A 116 -7.750 -15.261 5.344 1.00 2.52 H new ATOM 0 HE2 LYS A 116 -8.186 -12.415 4.346 1.00 30.21 H new ATOM 0 HE3 LYS A 116 -7.316 -12.841 5.806 1.00 30.21 H new ATOM 0 HZ1 LYS A 116 -5.676 -12.595 4.233 1.00 10.20 H new ATOM 0 HZ2 LYS A 116 -5.900 -14.278 4.263 1.00 10.20 H new ATOM 0 HZ3 LYS A 116 -6.569 -13.355 3.005 1.00 10.20 H new ATOM 1844 N ARG A 117 -11.512 -12.210 5.159 1.00 34.54 N ATOM 1845 CA ARG A 117 -11.413 -11.607 6.475 1.00 62.25 C ATOM 1846 C ARG A 117 -12.263 -10.325 6.484 1.00 23.51 C ATOM 1847 O ARG A 117 -12.426 -9.685 5.444 1.00 74.32 O ATOM 1848 CB ARG A 117 -9.946 -11.273 6.749 1.00 0.13 C ATOM 1849 CG ARG A 117 -9.576 -11.072 8.202 1.00 12.14 C ATOM 1850 CD ARG A 117 -9.589 -12.389 8.987 1.00 32.41 C ATOM 1851 NE ARG A 117 -9.064 -12.203 10.352 1.00 52.10 N ATOM 1852 CZ ARG A 117 -8.525 -13.151 11.128 1.00 24.40 C ATOM 1853 NH1 ARG A 117 -8.529 -14.417 10.748 1.00 11.44 N ATOM 1854 NH2 ARG A 117 -7.997 -12.822 12.305 1.00 44.31 N ATOM 0 H ARG A 117 -11.674 -11.556 4.393 1.00 34.54 H new ATOM 0 HA ARG A 117 -11.775 -12.287 7.246 1.00 62.25 H new ATOM 0 HB2 ARG A 117 -9.329 -12.075 6.344 1.00 0.13 H new ATOM 0 HB3 ARG A 117 -9.691 -10.367 6.200 1.00 0.13 H new ATOM 0 HG2 ARG A 117 -8.585 -10.623 8.265 1.00 12.14 H new ATOM 0 HG3 ARG A 117 -10.273 -10.371 8.660 1.00 12.14 H new ATOM 0 HD2 ARG A 117 -10.607 -12.776 9.036 1.00 32.41 H new ATOM 0 HD3 ARG A 117 -8.990 -13.134 8.463 1.00 32.41 H new ATOM 0 HE ARG A 117 -9.117 -11.262 10.742 1.00 52.10 H new ATOM 0 HH11 ARG A 117 -8.946 -14.680 9.855 1.00 11.44 H new ATOM 0 HH12 ARG A 117 -8.115 -15.131 11.348 1.00 11.44 H new ATOM 0 HH21 ARG A 117 -8.004 -11.850 12.613 1.00 44.31 H new ATOM 0 HH22 ARG A 117 -7.586 -13.542 12.899 1.00 44.31 H new ATOM 1868 N SER A 118 -12.779 -9.955 7.633 1.00 54.21 N ATOM 1869 CA SER A 118 -13.692 -8.816 7.757 1.00 53.24 C ATOM 1870 C SER A 118 -12.946 -7.493 8.080 1.00 60.14 C ATOM 1871 O SER A 118 -13.484 -6.623 8.771 1.00 1.44 O ATOM 1872 CB SER A 118 -14.680 -9.147 8.868 1.00 1.21 C ATOM 1873 OG SER A 118 -15.302 -10.405 8.608 1.00 15.50 O ATOM 0 H SER A 118 -12.585 -10.428 8.515 1.00 54.21 H new ATOM 0 HA SER A 118 -14.200 -8.657 6.806 1.00 53.24 H new ATOM 0 HB2 SER A 118 -14.164 -9.178 9.828 1.00 1.21 H new ATOM 0 HB3 SER A 118 -15.436 -8.365 8.938 1.00 1.21 H new ATOM 0 HG SER A 118 -15.935 -10.612 9.327 1.00 15.50 H new ATOM 1879 N ALA A 119 -11.751 -7.328 7.507 1.00 15.33 N ATOM 1880 CA ALA A 119 -10.904 -6.143 7.742 1.00 32.22 C ATOM 1881 C ALA A 119 -11.625 -4.841 7.423 1.00 53.01 C ATOM 1882 O ALA A 119 -12.112 -4.636 6.311 1.00 63.14 O ATOM 1883 CB ALA A 119 -9.610 -6.247 6.953 1.00 10.35 C ATOM 0 H ALA A 119 -11.339 -8.007 6.867 1.00 15.33 H new ATOM 0 HA ALA A 119 -10.669 -6.124 8.806 1.00 32.22 H new ATOM 0 HB1 ALA A 119 -8.998 -5.364 7.139 1.00 10.35 H new ATOM 0 HB2 ALA A 119 -9.065 -7.138 7.264 1.00 10.35 H new ATOM 0 HB3 ALA A 119 -9.837 -6.313 5.889 1.00 10.35 H new ATOM 1889 N ILE A 120 -11.658 -3.968 8.419 1.00 31.32 N ATOM 1890 CA ILE A 120 -12.330 -2.661 8.360 1.00 30.41 C ATOM 1891 C ILE A 120 -11.816 -1.813 7.176 1.00 71.00 C ATOM 1892 O ILE A 120 -12.552 -1.018 6.608 1.00 63.13 O ATOM 1893 CB ILE A 120 -12.119 -1.904 9.697 1.00 43.04 C ATOM 1894 CG1 ILE A 120 -12.612 -2.771 10.864 1.00 22.52 C ATOM 1895 CG2 ILE A 120 -12.841 -0.560 9.690 1.00 71.14 C ATOM 1896 CD1 ILE A 120 -12.296 -2.214 12.232 1.00 64.15 C ATOM 0 H ILE A 120 -11.209 -4.146 9.317 1.00 31.32 H new ATOM 0 HA ILE A 120 -13.395 -2.832 8.204 1.00 30.41 H new ATOM 0 HB ILE A 120 -11.054 -1.707 9.819 1.00 43.04 H new ATOM 0 HG12 ILE A 120 -13.691 -2.897 10.777 1.00 22.52 H new ATOM 0 HG13 ILE A 120 -12.168 -3.762 10.777 1.00 22.52 H new ATOM 0 HG21 ILE A 120 -12.675 -0.053 10.640 1.00 71.14 H new ATOM 0 HG22 ILE A 120 -12.456 0.056 8.877 1.00 71.14 H new ATOM 0 HG23 ILE A 120 -13.909 -0.722 9.547 1.00 71.14 H new ATOM 0 HD11 ILE A 120 -12.680 -2.889 12.997 1.00 64.15 H new ATOM 0 HD12 ILE A 120 -11.216 -2.115 12.344 1.00 64.15 H new ATOM 0 HD13 ILE A 120 -12.764 -1.236 12.343 1.00 64.15 H new ATOM 1908 N LEU A 121 -10.560 -2.011 6.796 1.00 74.23 N ATOM 1909 CA LEU A 121 -9.995 -1.317 5.643 1.00 30.41 C ATOM 1910 C LEU A 121 -10.754 -1.586 4.332 1.00 43.44 C ATOM 1911 O LEU A 121 -10.732 -0.763 3.437 1.00 50.42 O ATOM 1912 CB LEU A 121 -8.447 -1.480 5.517 1.00 2.34 C ATOM 1913 CG LEU A 121 -7.838 -2.888 5.684 1.00 42.25 C ATOM 1914 CD1 LEU A 121 -8.308 -3.836 4.616 1.00 32.51 C ATOM 1915 CD2 LEU A 121 -6.318 -2.808 5.686 1.00 63.55 C ATOM 0 H LEU A 121 -9.914 -2.644 7.267 1.00 74.23 H new ATOM 0 HA LEU A 121 -10.151 -0.257 5.844 1.00 30.41 H new ATOM 0 HB2 LEU A 121 -8.153 -1.106 4.536 1.00 2.34 H new ATOM 0 HB3 LEU A 121 -7.984 -0.829 6.258 1.00 2.34 H new ATOM 0 HG LEU A 121 -8.180 -3.280 6.642 1.00 42.25 H new ATOM 0 HD11 LEU A 121 -7.854 -4.815 4.773 1.00 32.51 H new ATOM 0 HD12 LEU A 121 -9.393 -3.927 4.663 1.00 32.51 H new ATOM 0 HD13 LEU A 121 -8.018 -3.454 3.637 1.00 32.51 H new ATOM 0 HD21 LEU A 121 -5.901 -3.808 5.805 1.00 63.55 H new ATOM 0 HD22 LEU A 121 -5.975 -2.381 4.744 1.00 63.55 H new ATOM 0 HD23 LEU A 121 -5.988 -2.177 6.511 1.00 63.55 H new ATOM 1927 N LYS A 122 -11.451 -2.729 4.247 1.00 52.51 N ATOM 1928 CA LYS A 122 -12.267 -3.059 3.066 1.00 12.30 C ATOM 1929 C LYS A 122 -13.316 -1.975 2.861 1.00 11.41 C ATOM 1930 O LYS A 122 -13.595 -1.555 1.735 1.00 52.44 O ATOM 1931 CB LYS A 122 -12.998 -4.402 3.273 1.00 53.35 C ATOM 1932 CG LYS A 122 -13.886 -4.815 2.093 1.00 22.03 C ATOM 1933 CD LYS A 122 -14.735 -6.058 2.390 1.00 53.55 C ATOM 1934 CE LYS A 122 -13.891 -7.280 2.696 1.00 71.32 C ATOM 1935 NZ LYS A 122 -14.708 -8.491 2.905 1.00 43.42 N ATOM 0 H LYS A 122 -11.467 -3.439 4.979 1.00 52.51 H new ATOM 0 HA LYS A 122 -11.609 -3.130 2.200 1.00 12.30 H new ATOM 0 HB2 LYS A 122 -12.259 -5.183 3.449 1.00 53.35 H new ATOM 0 HB3 LYS A 122 -13.612 -4.335 4.171 1.00 53.35 H new ATOM 0 HG2 LYS A 122 -14.544 -3.986 1.832 1.00 22.03 H new ATOM 0 HG3 LYS A 122 -13.258 -5.009 1.223 1.00 22.03 H new ATOM 0 HD2 LYS A 122 -15.390 -5.852 3.236 1.00 53.55 H new ATOM 0 HD3 LYS A 122 -15.376 -6.269 1.534 1.00 53.55 H new ATOM 0 HE2 LYS A 122 -13.195 -7.452 1.875 1.00 71.32 H new ATOM 0 HE3 LYS A 122 -13.292 -7.091 3.587 1.00 71.32 H new ATOM 0 HZ1 LYS A 122 -14.161 -9.331 2.627 1.00 43.42 H new ATOM 0 HZ2 LYS A 122 -14.969 -8.565 3.909 1.00 43.42 H new ATOM 0 HZ3 LYS A 122 -15.570 -8.432 2.327 1.00 43.42 H new ATOM 1949 N MET A 123 -13.843 -1.499 3.974 1.00 21.12 N ATOM 1950 CA MET A 123 -14.924 -0.534 3.987 1.00 43.15 C ATOM 1951 C MET A 123 -14.387 0.814 3.533 1.00 75.22 C ATOM 1952 O MET A 123 -15.090 1.610 2.930 1.00 74.25 O ATOM 1953 CB MET A 123 -15.485 -0.398 5.421 1.00 71.23 C ATOM 1954 CG MET A 123 -15.592 -1.720 6.197 1.00 14.15 C ATOM 1955 SD MET A 123 -16.511 -3.020 5.348 1.00 60.20 S ATOM 1956 CE MET A 123 -16.266 -4.380 6.497 1.00 63.13 C ATOM 0 H MET A 123 -13.528 -1.775 4.904 1.00 21.12 H new ATOM 0 HA MET A 123 -15.718 -0.867 3.318 1.00 43.15 H new ATOM 0 HB2 MET A 123 -14.849 0.286 5.982 1.00 71.23 H new ATOM 0 HB3 MET A 123 -16.474 0.057 5.368 1.00 71.23 H new ATOM 0 HG2 MET A 123 -14.587 -2.084 6.409 1.00 14.15 H new ATOM 0 HG3 MET A 123 -16.069 -1.524 7.157 1.00 14.15 H new ATOM 0 HE1 MET A 123 -16.773 -5.269 6.122 1.00 63.13 H new ATOM 0 HE2 MET A 123 -15.200 -4.585 6.596 1.00 63.13 H new ATOM 0 HE3 MET A 123 -16.676 -4.112 7.471 1.00 63.13 H new ATOM 1966 N ILE A 124 -13.117 1.043 3.823 1.00 21.31 N ATOM 1967 CA ILE A 124 -12.447 2.286 3.486 1.00 11.13 C ATOM 1968 C ILE A 124 -12.187 2.351 1.980 1.00 60.03 C ATOM 1969 O ILE A 124 -12.475 3.355 1.328 1.00 4.11 O ATOM 1970 CB ILE A 124 -11.094 2.420 4.257 1.00 61.24 C ATOM 1971 CG1 ILE A 124 -11.308 2.284 5.781 1.00 55.32 C ATOM 1972 CG2 ILE A 124 -10.396 3.743 3.926 1.00 34.13 C ATOM 1973 CD1 ILE A 124 -12.246 3.311 6.387 1.00 41.03 C ATOM 0 H ILE A 124 -12.520 0.368 4.301 1.00 21.31 H new ATOM 0 HA ILE A 124 -13.097 3.110 3.779 1.00 11.13 H new ATOM 0 HB ILE A 124 -10.447 1.606 3.930 1.00 61.24 H new ATOM 0 HG12 ILE A 124 -11.698 1.288 5.991 1.00 55.32 H new ATOM 0 HG13 ILE A 124 -10.341 2.359 6.277 1.00 55.32 H new ATOM 0 HG21 ILE A 124 -9.458 3.807 4.477 1.00 34.13 H new ATOM 0 HG22 ILE A 124 -10.192 3.789 2.856 1.00 34.13 H new ATOM 0 HG23 ILE A 124 -11.041 4.575 4.209 1.00 34.13 H new ATOM 0 HD11 ILE A 124 -12.334 3.136 7.459 1.00 41.03 H new ATOM 0 HD12 ILE A 124 -11.850 4.312 6.214 1.00 41.03 H new ATOM 0 HD13 ILE A 124 -13.229 3.224 5.924 1.00 41.03 H new ATOM 1985 N LEU A 125 -11.654 1.268 1.436 1.00 51.03 N ATOM 1986 CA LEU A 125 -11.352 1.196 0.009 1.00 61.43 C ATOM 1987 C LEU A 125 -12.606 1.213 -0.845 1.00 12.01 C ATOM 1988 O LEU A 125 -12.740 2.063 -1.737 1.00 1.04 O ATOM 1989 CB LEU A 125 -10.446 -0.010 -0.352 1.00 24.53 C ATOM 1990 CG LEU A 125 -8.934 0.095 -0.019 1.00 42.32 C ATOM 1991 CD1 LEU A 125 -8.307 1.245 -0.767 1.00 52.41 C ATOM 1992 CD2 LEU A 125 -8.667 0.236 1.468 1.00 74.14 C ATOM 0 H LEU A 125 -11.420 0.424 1.959 1.00 51.03 H new ATOM 0 HA LEU A 125 -10.786 2.099 -0.220 1.00 61.43 H new ATOM 0 HB2 LEU A 125 -10.841 -0.889 0.157 1.00 24.53 H new ATOM 0 HB3 LEU A 125 -10.541 -0.192 -1.423 1.00 24.53 H new ATOM 0 HG LEU A 125 -8.479 -0.842 -0.340 1.00 42.32 H new ATOM 0 HD11 LEU A 125 -7.247 1.304 -0.522 1.00 52.41 H new ATOM 0 HD12 LEU A 125 -8.423 1.088 -1.839 1.00 52.41 H new ATOM 0 HD13 LEU A 125 -8.798 2.175 -0.481 1.00 52.41 H new ATOM 0 HD21 LEU A 125 -7.593 0.305 1.640 1.00 74.14 H new ATOM 0 HD22 LEU A 125 -9.153 1.138 1.841 1.00 74.14 H new ATOM 0 HD23 LEU A 125 -9.063 -0.633 1.993 1.00 74.14 H new ATOM 2004 N MET A 126 -13.550 0.324 -0.538 1.00 60.30 N ATOM 2005 CA MET A 126 -14.784 0.206 -1.328 1.00 5.22 C ATOM 2006 C MET A 126 -15.624 1.475 -1.287 1.00 3.12 C ATOM 2007 O MET A 126 -16.425 1.724 -2.185 1.00 23.01 O ATOM 2008 CB MET A 126 -15.615 -1.017 -0.924 1.00 40.54 C ATOM 2009 CG MET A 126 -14.940 -2.348 -1.237 1.00 73.21 C ATOM 2010 SD MET A 126 -15.936 -3.794 -0.764 1.00 54.13 S ATOM 2011 CE MET A 126 -17.424 -3.521 -1.732 1.00 33.51 C ATOM 0 H MET A 126 -13.489 -0.324 0.247 1.00 60.30 H new ATOM 0 HA MET A 126 -14.467 0.061 -2.361 1.00 5.22 H new ATOM 0 HB2 MET A 126 -15.822 -0.967 0.145 1.00 40.54 H new ATOM 0 HB3 MET A 126 -16.576 -0.978 -1.437 1.00 40.54 H new ATOM 0 HG2 MET A 126 -14.728 -2.396 -2.305 1.00 73.21 H new ATOM 0 HG3 MET A 126 -13.982 -2.391 -0.719 1.00 73.21 H new ATOM 0 HE1 MET A 126 -17.977 -4.456 -1.821 1.00 33.51 H new ATOM 0 HE2 MET A 126 -18.048 -2.776 -1.238 1.00 33.51 H new ATOM 0 HE3 MET A 126 -17.152 -3.165 -2.726 1.00 33.51 H new ATOM 2021 N TYR A 127 -15.416 2.281 -0.261 1.00 72.03 N ATOM 2022 CA TYR A 127 -16.093 3.557 -0.122 1.00 44.20 C ATOM 2023 C TYR A 127 -15.800 4.474 -1.311 1.00 30.34 C ATOM 2024 O TYR A 127 -16.713 5.083 -1.879 1.00 53.52 O ATOM 2025 CB TYR A 127 -15.686 4.231 1.202 1.00 54.21 C ATOM 2026 CG TYR A 127 -16.176 5.658 1.366 1.00 41.24 C ATOM 2027 CD1 TYR A 127 -17.503 5.940 1.656 1.00 70.32 C ATOM 2028 CD2 TYR A 127 -15.296 6.725 1.214 1.00 23.41 C ATOM 2029 CE1 TYR A 127 -17.938 7.245 1.792 1.00 63.13 C ATOM 2030 CE2 TYR A 127 -15.721 8.024 1.347 1.00 44.13 C ATOM 2031 CZ TYR A 127 -17.039 8.284 1.635 1.00 43.54 C ATOM 2032 OH TYR A 127 -17.467 9.593 1.768 1.00 62.25 O ATOM 0 H TYR A 127 -14.772 2.068 0.500 1.00 72.03 H new ATOM 0 HA TYR A 127 -17.167 3.373 -0.106 1.00 44.20 H new ATOM 0 HB2 TYR A 127 -16.067 3.633 2.030 1.00 54.21 H new ATOM 0 HB3 TYR A 127 -14.599 4.224 1.278 1.00 54.21 H new ATOM 0 HD1 TYR A 127 -18.206 5.129 1.777 1.00 70.32 H new ATOM 0 HD2 TYR A 127 -14.259 6.528 0.987 1.00 23.41 H new ATOM 0 HE1 TYR A 127 -18.973 7.452 2.019 1.00 63.13 H new ATOM 0 HE2 TYR A 127 -15.022 8.838 1.226 1.00 44.13 H new ATOM 0 HH TYR A 127 -16.711 10.200 1.628 1.00 62.25 H new ATOM 2042 N GLU A 128 -14.543 4.552 -1.699 1.00 31.33 N ATOM 2043 CA GLU A 128 -14.148 5.444 -2.776 1.00 23.44 C ATOM 2044 C GLU A 128 -14.217 4.737 -4.135 1.00 33.44 C ATOM 2045 O GLU A 128 -14.293 5.384 -5.188 1.00 41.43 O ATOM 2046 CB GLU A 128 -12.736 6.008 -2.519 1.00 21.20 C ATOM 2047 CG GLU A 128 -12.270 7.011 -3.567 1.00 13.05 C ATOM 2048 CD GLU A 128 -10.898 7.559 -3.299 1.00 21.43 C ATOM 2049 OE1 GLU A 128 -9.906 6.923 -3.704 1.00 13.03 O ATOM 2050 OE2 GLU A 128 -10.793 8.657 -2.711 1.00 3.24 O ATOM 0 H GLU A 128 -13.780 4.013 -1.289 1.00 31.33 H new ATOM 0 HA GLU A 128 -14.851 6.277 -2.801 1.00 23.44 H new ATOM 0 HB2 GLU A 128 -12.720 6.487 -1.540 1.00 21.20 H new ATOM 0 HB3 GLU A 128 -12.027 5.181 -2.481 1.00 21.20 H new ATOM 0 HG2 GLU A 128 -12.277 6.532 -4.546 1.00 13.05 H new ATOM 0 HG3 GLU A 128 -12.981 7.836 -3.611 1.00 13.05 H new