USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 519 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 88 HIS : no HD1:sc= -1.86! K(o=-0.58!,f=0.35) USER MOD Set 1.2: A 92 SER OG : rot 150:sc= 1.27 USER MOD Single : A 12 HIS : no HD1:sc= -1.45 K(o=-1.4,f=-3!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0506 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.267 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc=-0.00394 X(o=-0.0039,f=-0.0011) USER MOD Single : A 77 ASN : amide:sc= -0.719! C(o=-0.72!,f=-5.8!) USER MOD Single : A 78 TYR OH : rot -5:sc= 0.611 USER MOD Single : A 81 SER OG : rot 180:sc= -0.292 USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= -0.0256 (180deg=-0.624) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 94 TYR OH : rot 70:sc= -1.04 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -3.326 17.347 0.959 1.00 0.00 N ATOM 89 CA GLY A 10 -2.605 16.604 1.977 1.00 0.00 C ATOM 90 C GLY A 10 -2.744 15.104 1.808 1.00 0.00 C ATOM 91 O GLY A 10 -2.559 14.576 0.712 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.550 16.874 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.974 16.891 2.962 1.00 0.00 H new ATOM 95 N ALA A 11 -3.072 14.416 2.897 1.00 0.00 N ATOM 96 CA ALA A 11 -3.236 12.967 2.864 1.00 0.00 C ATOM 97 C ALA A 11 -4.562 12.580 2.220 1.00 0.00 C ATOM 98 O ALA A 11 -4.596 11.806 1.262 1.00 0.00 O ATOM 99 CB ALA A 11 -3.141 12.394 4.270 1.00 0.00 C ATOM 0 H ALA A 11 -3.229 14.838 3.812 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.433 12.548 2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.265 11.312 4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.166 12.632 4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.924 12.827 4.893 1.00 0.00 H new ATOM 105 N HIS A 12 -5.653 13.122 2.752 1.00 0.00 N ATOM 106 CA HIS A 12 -6.984 12.831 2.228 1.00 0.00 C ATOM 107 C HIS A 12 -7.020 13.003 0.713 1.00 0.00 C ATOM 108 O HIS A 12 -7.828 12.377 0.025 1.00 0.00 O ATOM 109 CB HIS A 12 -8.022 13.743 2.881 1.00 0.00 C ATOM 110 CG HIS A 12 -7.829 15.195 2.564 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.684 15.890 2.889 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.643 16.081 1.945 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.803 17.142 2.486 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.982 17.284 1.910 1.00 0.00 N ATOM 0 H HIS A 12 -5.642 13.764 3.544 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.222 11.794 2.464 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -9.017 13.438 2.556 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.984 13.607 3.962 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.629 15.880 1.552 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.062 17.918 2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.343 18.147 1.505 1.00 0.00 H new ATOM 122 N LYS A 13 -6.141 13.854 0.197 1.00 0.00 N ATOM 123 CA LYS A 13 -6.071 14.108 -1.237 1.00 0.00 C ATOM 124 C LYS A 13 -5.132 13.119 -1.920 1.00 0.00 C ATOM 125 O LYS A 13 -4.576 13.407 -2.980 1.00 0.00 O ATOM 126 CB LYS A 13 -5.598 15.540 -1.500 1.00 0.00 C ATOM 127 CG LYS A 13 -6.568 16.601 -1.007 1.00 0.00 C ATOM 128 CD LYS A 13 -7.602 16.945 -2.065 1.00 0.00 C ATOM 129 CE LYS A 13 -8.694 15.888 -2.142 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.990 16.461 -2.599 1.00 0.00 N ATOM 0 H LYS A 13 -5.466 14.381 0.751 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.071 13.979 -1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.633 15.689 -1.017 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.442 15.671 -2.571 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.071 16.246 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.016 17.499 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.047 17.914 -1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.114 17.037 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.386 15.097 -2.825 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.825 15.429 -1.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.707 15.709 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.297 17.199 -1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.872 16.876 -3.545 1.00 0.00 H new ATOM 144 N VAL A 14 -4.962 11.952 -1.306 1.00 0.00 N ATOM 145 CA VAL A 14 -4.092 10.919 -1.857 1.00 0.00 C ATOM 146 C VAL A 14 -4.841 9.600 -2.016 1.00 0.00 C ATOM 147 O VAL A 14 -5.482 9.122 -1.082 1.00 0.00 O ATOM 148 CB VAL A 14 -2.857 10.691 -0.966 1.00 0.00 C ATOM 149 CG1 VAL A 14 -2.135 9.415 -1.371 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.921 11.889 -1.039 1.00 0.00 C ATOM 0 H VAL A 14 -5.415 11.698 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.764 11.269 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.189 10.580 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.265 9.270 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.810 8.566 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.812 9.493 -2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.053 11.712 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.594 12.033 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.445 12.781 -0.697 1.00 0.00 H new ATOM 160 N ARG A 15 -4.751 9.015 -3.208 1.00 0.00 N ATOM 161 CA ARG A 15 -5.420 7.752 -3.489 1.00 0.00 C ATOM 162 C ARG A 15 -4.414 6.690 -3.923 1.00 0.00 C ATOM 163 O ARG A 15 -3.518 6.959 -4.724 1.00 0.00 O ATOM 164 CB ARG A 15 -6.477 7.941 -4.578 1.00 0.00 C ATOM 165 CG ARG A 15 -7.514 6.831 -4.622 1.00 0.00 C ATOM 166 CD ARG A 15 -8.653 7.093 -3.650 1.00 0.00 C ATOM 167 NE ARG A 15 -9.686 7.945 -4.234 1.00 0.00 N ATOM 168 CZ ARG A 15 -10.585 7.512 -5.112 1.00 0.00 C ATOM 169 NH1 ARG A 15 -10.579 6.246 -5.502 1.00 0.00 N ATOM 170 NH2 ARG A 15 -11.493 8.348 -5.599 1.00 0.00 N ATOM 0 H ARG A 15 -4.222 9.396 -3.992 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.907 7.416 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.983 8.893 -4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.981 8.001 -5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.911 6.742 -5.633 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.040 5.879 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.095 6.144 -3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.260 7.565 -2.750 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.719 8.925 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.883 5.601 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.270 5.917 -6.176 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.501 9.323 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.183 8.016 -6.273 1.00 0.00 H new ATOM 184 N ALA A 16 -4.568 5.482 -3.390 1.00 0.00 N ATOM 185 CA ALA A 16 -3.674 4.380 -3.722 1.00 0.00 C ATOM 186 C ALA A 16 -4.441 3.224 -4.356 1.00 0.00 C ATOM 187 O ALA A 16 -5.625 3.029 -4.086 1.00 0.00 O ATOM 188 CB ALA A 16 -2.934 3.907 -2.479 1.00 0.00 C ATOM 0 H ALA A 16 -5.304 5.242 -2.726 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.946 4.741 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.270 3.084 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.348 4.730 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.654 3.569 -1.734 1.00 0.00 H new ATOM 222 N GLY A 20 -1.330 -5.454 -6.388 1.00 0.00 N ATOM 223 CA GLY A 20 -0.972 -6.160 -5.171 1.00 0.00 C ATOM 224 C GLY A 20 -1.916 -5.855 -4.025 1.00 0.00 C ATOM 225 O GLY A 20 -2.263 -6.743 -3.244 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.974 -7.233 -5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.044 -5.889 -4.883 1.00 0.00 H new ATOM 229 N LEU A 21 -2.332 -4.599 -3.921 1.00 0.00 N ATOM 230 CA LEU A 21 -3.241 -4.178 -2.861 1.00 0.00 C ATOM 231 C LEU A 21 -4.530 -4.992 -2.894 1.00 0.00 C ATOM 232 O LEU A 21 -5.181 -5.184 -1.867 1.00 0.00 O ATOM 233 CB LEU A 21 -3.560 -2.688 -2.997 1.00 0.00 C ATOM 234 CG LEU A 21 -2.404 -1.726 -2.727 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.790 -0.306 -3.111 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.987 -1.790 -1.265 1.00 0.00 C ATOM 0 H LEU A 21 -2.054 -3.853 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.749 -4.351 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.929 -2.507 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.374 -2.447 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.555 -2.028 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.954 0.365 -2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.039 -0.271 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.654 0.007 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.163 -1.098 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.831 -1.514 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.668 -2.803 -1.022 1.00 0.00 H new ATOM 248 N GLU A 22 -4.892 -5.469 -4.081 1.00 0.00 N ATOM 249 CA GLU A 22 -6.103 -6.264 -4.246 1.00 0.00 C ATOM 250 C GLU A 22 -5.949 -7.634 -3.592 1.00 0.00 C ATOM 251 O GLU A 22 -6.866 -8.126 -2.934 1.00 0.00 O ATOM 252 CB GLU A 22 -6.431 -6.431 -5.732 1.00 0.00 C ATOM 253 CG GLU A 22 -6.572 -5.114 -6.475 1.00 0.00 C ATOM 254 CD GLU A 22 -7.993 -4.586 -6.463 1.00 0.00 C ATOM 255 OE1 GLU A 22 -8.386 -3.967 -5.452 1.00 0.00 O ATOM 256 OE2 GLU A 22 -8.713 -4.793 -7.463 1.00 0.00 O ATOM 0 H GLU A 22 -4.365 -5.319 -4.941 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.922 -5.737 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.647 -7.023 -6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.359 -6.995 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.910 -4.374 -6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.247 -5.247 -7.507 1.00 0.00 H new ATOM 263 N ARG A 23 -4.783 -8.245 -3.777 1.00 0.00 N ATOM 264 CA ARG A 23 -4.509 -9.558 -3.206 1.00 0.00 C ATOM 265 C ARG A 23 -3.060 -9.967 -3.455 1.00 0.00 C ATOM 266 O ARG A 23 -2.521 -9.751 -4.539 1.00 0.00 O ATOM 267 CB ARG A 23 -5.455 -10.603 -3.800 1.00 0.00 C ATOM 268 CG ARG A 23 -5.773 -11.746 -2.851 1.00 0.00 C ATOM 269 CD ARG A 23 -6.268 -12.973 -3.601 1.00 0.00 C ATOM 270 NE ARG A 23 -7.181 -13.777 -2.793 1.00 0.00 N ATOM 271 CZ ARG A 23 -8.017 -14.674 -3.302 1.00 0.00 C ATOM 272 NH1 ARG A 23 -8.057 -14.880 -4.612 1.00 0.00 N ATOM 273 NH2 ARG A 23 -8.817 -15.368 -2.502 1.00 0.00 N ATOM 0 H ARG A 23 -4.013 -7.851 -4.318 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.672 -9.500 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.385 -10.115 -4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.010 -11.009 -4.708 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.882 -12.003 -2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.530 -11.426 -2.135 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.773 -12.660 -4.515 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.416 -13.583 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.176 -13.642 -1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.444 -14.349 -5.231 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.700 -15.570 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.790 -15.213 -1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.459 -16.057 -2.895 1.00 0.00 H new ATOM 287 N GLY A 24 -2.435 -10.559 -2.441 1.00 0.00 N ATOM 288 CA GLY A 24 -1.056 -10.988 -2.570 1.00 0.00 C ATOM 289 C GLY A 24 -0.894 -12.485 -2.390 1.00 0.00 C ATOM 290 O GLY A 24 -1.864 -13.191 -2.114 1.00 0.00 O ATOM 0 H GLY A 24 -2.860 -10.749 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.680 -10.701 -3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.447 -10.468 -1.831 1.00 0.00 H new ATOM 294 N GLU A 25 0.334 -12.970 -2.549 1.00 0.00 N ATOM 295 CA GLU A 25 0.617 -14.393 -2.405 1.00 0.00 C ATOM 296 C GLU A 25 1.867 -14.616 -1.560 1.00 0.00 C ATOM 297 O GLU A 25 2.680 -13.710 -1.384 1.00 0.00 O ATOM 298 CB GLU A 25 0.794 -15.042 -3.779 1.00 0.00 C ATOM 299 CG GLU A 25 -0.518 -15.388 -4.463 1.00 0.00 C ATOM 300 CD GLU A 25 -0.406 -15.389 -5.975 1.00 0.00 C ATOM 301 OE1 GLU A 25 0.673 -15.753 -6.488 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.395 -15.026 -6.645 1.00 0.00 O ATOM 0 H GLU A 25 1.148 -12.399 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.230 -14.856 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.361 -14.367 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.387 -15.950 -3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.851 -16.370 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.281 -14.672 -4.160 1.00 0.00 H new ATOM 309 N ALA A 26 2.013 -15.830 -1.038 1.00 0.00 N ATOM 310 CA ALA A 26 3.164 -16.173 -0.213 1.00 0.00 C ATOM 311 C ALA A 26 4.381 -16.495 -1.074 1.00 0.00 C ATOM 312 O ALA A 26 4.293 -17.270 -2.025 1.00 0.00 O ATOM 313 CB ALA A 26 2.831 -17.349 0.693 1.00 0.00 C ATOM 0 H ALA A 26 1.348 -16.592 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 26 3.407 -15.309 0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.700 -17.595 1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.995 -17.084 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.559 -18.212 0.085 1.00 0.00 H new ATOM 319 N GLY A 27 5.516 -15.892 -0.735 1.00 0.00 N ATOM 320 CA GLY A 27 6.735 -16.127 -1.489 1.00 0.00 C ATOM 321 C GLY A 27 6.733 -15.418 -2.829 1.00 0.00 C ATOM 322 O GLY A 27 7.652 -15.589 -3.630 1.00 0.00 O ATOM 0 H GLY A 27 5.614 -15.245 0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.591 -15.790 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.859 -17.198 -1.648 1.00 0.00 H new ATOM 326 N VAL A 28 5.697 -14.622 -3.074 1.00 0.00 N ATOM 327 CA VAL A 28 5.579 -13.887 -4.328 1.00 0.00 C ATOM 328 C VAL A 28 5.738 -12.387 -4.100 1.00 0.00 C ATOM 329 O VAL A 28 5.046 -11.781 -3.282 1.00 0.00 O ATOM 330 CB VAL A 28 4.223 -14.150 -5.008 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.009 -13.188 -6.166 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.137 -15.594 -5.481 1.00 0.00 C ATOM 0 H VAL A 28 4.928 -14.470 -2.421 1.00 0.00 H new ATOM 0 HA VAL A 28 6.378 -14.241 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 28 3.432 -13.982 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.045 -13.390 -6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.025 -12.163 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.803 -13.320 -6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.172 -15.763 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.936 -15.791 -6.196 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.241 -16.263 -4.627 1.00 0.00 H new ATOM 342 N PRO A 29 6.670 -11.772 -4.844 1.00 0.00 N ATOM 343 CA PRO A 29 6.942 -10.334 -4.742 1.00 0.00 C ATOM 344 C PRO A 29 5.801 -9.489 -5.298 1.00 0.00 C ATOM 345 O PRO A 29 5.508 -9.535 -6.492 1.00 0.00 O ATOM 346 CB PRO A 29 8.205 -10.152 -5.588 1.00 0.00 C ATOM 347 CG PRO A 29 8.176 -11.280 -6.560 1.00 0.00 C ATOM 348 CD PRO A 29 7.532 -12.432 -5.839 1.00 0.00 C ATOM 0 HA PRO A 29 7.056 -10.012 -3.707 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.204 -9.189 -6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.103 -10.184 -4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.609 -11.012 -7.452 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.183 -11.539 -6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.954 -13.059 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.274 -13.075 -5.365 1.00 0.00 H new ATOM 356 N ALA A 30 5.162 -8.718 -4.424 1.00 0.00 N ATOM 357 CA ALA A 30 4.056 -7.860 -4.829 1.00 0.00 C ATOM 358 C ALA A 30 4.507 -6.410 -4.967 1.00 0.00 C ATOM 359 O ALA A 30 5.084 -5.840 -4.042 1.00 0.00 O ATOM 360 CB ALA A 30 2.912 -7.966 -3.830 1.00 0.00 C ATOM 0 H ALA A 30 5.392 -8.670 -3.431 1.00 0.00 H new ATOM 0 HA ALA A 30 3.705 -8.198 -5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.093 -7.320 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.563 -8.998 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.260 -7.656 -2.844 1.00 0.00 H new ATOM 366 N GLU A 31 4.241 -5.820 -6.129 1.00 0.00 N ATOM 367 CA GLU A 31 4.622 -4.437 -6.387 1.00 0.00 C ATOM 368 C GLU A 31 3.397 -3.587 -6.712 1.00 0.00 C ATOM 369 O GLU A 31 2.425 -4.075 -7.288 1.00 0.00 O ATOM 370 CB GLU A 31 5.626 -4.367 -7.539 1.00 0.00 C ATOM 371 CG GLU A 31 7.068 -4.566 -7.104 1.00 0.00 C ATOM 372 CD GLU A 31 8.057 -4.306 -8.224 1.00 0.00 C ATOM 373 OE1 GLU A 31 8.328 -3.121 -8.510 1.00 0.00 O ATOM 374 OE2 GLU A 31 8.558 -5.286 -8.814 1.00 0.00 O ATOM 0 H GLU A 31 3.764 -6.278 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 31 5.088 -4.041 -5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.371 -5.126 -8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.534 -3.399 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.287 -3.900 -6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.196 -5.586 -6.740 1.00 0.00 H new ATOM 381 N PHE A 32 3.453 -2.313 -6.340 1.00 0.00 N ATOM 382 CA PHE A 32 2.348 -1.393 -6.590 1.00 0.00 C ATOM 383 C PHE A 32 2.825 0.055 -6.545 1.00 0.00 C ATOM 384 O PHE A 32 3.616 0.433 -5.682 1.00 0.00 O ATOM 385 CB PHE A 32 1.236 -1.608 -5.561 1.00 0.00 C ATOM 386 CG PHE A 32 1.661 -1.324 -4.149 1.00 0.00 C ATOM 387 CD1 PHE A 32 2.410 -2.248 -3.438 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.314 -0.132 -3.533 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.803 -1.988 -2.138 1.00 0.00 C ATOM 390 CE2 PHE A 32 1.704 0.132 -2.234 1.00 0.00 C ATOM 391 CZ PHE A 32 2.450 -0.796 -1.536 1.00 0.00 C ATOM 0 H PHE A 32 4.252 -1.893 -5.864 1.00 0.00 H new ATOM 0 HA PHE A 32 1.956 -1.597 -7.587 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.391 -0.968 -5.813 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.886 -2.638 -5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.690 -3.181 -3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.732 0.599 -4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.386 -2.716 -1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.425 1.064 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.757 -0.591 -0.521 1.00 0.00 H new ATOM 401 N SER A 33 2.338 0.861 -7.484 1.00 0.00 N ATOM 402 CA SER A 33 2.717 2.267 -7.555 1.00 0.00 C ATOM 403 C SER A 33 1.641 3.152 -6.934 1.00 0.00 C ATOM 404 O SER A 33 0.456 2.819 -6.961 1.00 0.00 O ATOM 405 CB SER A 33 2.955 2.679 -9.009 1.00 0.00 C ATOM 406 OG SER A 33 1.730 2.815 -9.708 1.00 0.00 O ATOM 0 H SER A 33 1.681 0.564 -8.205 1.00 0.00 H new ATOM 0 HA SER A 33 3.640 2.398 -6.991 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.501 3.622 -9.038 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.579 1.935 -9.504 1.00 0.00 H new ATOM 0 HG SER A 33 1.910 3.081 -10.634 1.00 0.00 H new ATOM 412 N ILE A 34 2.063 4.281 -6.374 1.00 0.00 N ATOM 413 CA ILE A 34 1.137 5.215 -5.746 1.00 0.00 C ATOM 414 C ILE A 34 1.182 6.577 -6.430 1.00 0.00 C ATOM 415 O ILE A 34 2.245 7.185 -6.555 1.00 0.00 O ATOM 416 CB ILE A 34 1.447 5.394 -4.248 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.444 4.038 -3.539 1.00 0.00 C ATOM 418 CG2 ILE A 34 0.437 6.335 -3.607 1.00 0.00 C ATOM 419 CD1 ILE A 34 2.094 4.070 -2.172 1.00 0.00 C ATOM 0 H ILE A 34 3.040 4.571 -6.343 1.00 0.00 H new ATOM 0 HA ILE A 34 0.139 4.790 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 34 2.439 5.834 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.415 3.693 -3.435 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.963 3.310 -4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.669 6.452 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.483 7.307 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.566 5.921 -3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.056 3.075 -1.728 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.133 4.384 -2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.561 4.774 -1.532 1.00 0.00 H new ATOM 549 N LEU A 44 6.442 9.339 0.999 1.00 0.00 N ATOM 550 CA LEU A 44 5.538 8.234 1.303 1.00 0.00 C ATOM 551 C LEU A 44 6.206 7.225 2.231 1.00 0.00 C ATOM 552 O LEU A 44 7.354 6.837 2.019 1.00 0.00 O ATOM 553 CB LEU A 44 5.095 7.543 0.012 1.00 0.00 C ATOM 554 CG LEU A 44 3.899 8.168 -0.708 1.00 0.00 C ATOM 555 CD1 LEU A 44 3.817 7.666 -2.141 1.00 0.00 C ATOM 556 CD2 LEU A 44 2.609 7.864 0.041 1.00 0.00 C ATOM 0 HA LEU A 44 4.662 8.640 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.940 7.527 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.853 6.506 0.243 1.00 0.00 H new ATOM 0 HG LEU A 44 4.036 9.249 -0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.960 8.121 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.730 7.934 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.702 6.582 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.768 8.316 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.465 6.785 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.669 8.273 1.049 1.00 0.00 H new ATOM 568 N SER A 45 5.476 6.801 3.259 1.00 0.00 N ATOM 569 CA SER A 45 5.998 5.837 4.221 1.00 0.00 C ATOM 570 C SER A 45 5.141 4.574 4.243 1.00 0.00 C ATOM 571 O SER A 45 3.956 4.621 4.570 1.00 0.00 O ATOM 572 CB SER A 45 6.048 6.457 5.619 1.00 0.00 C ATOM 573 OG SER A 45 7.202 7.264 5.777 1.00 0.00 O ATOM 0 H SER A 45 4.522 7.110 3.447 1.00 0.00 H new ATOM 0 HA SER A 45 7.008 5.565 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.154 7.058 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.046 5.668 6.371 1.00 0.00 H new ATOM 0 HG SER A 45 7.210 7.650 6.678 1.00 0.00 H new ATOM 579 N ILE A 46 5.752 3.448 3.891 1.00 0.00 N ATOM 580 CA ILE A 46 5.047 2.172 3.871 1.00 0.00 C ATOM 581 C ILE A 46 5.681 1.180 4.840 1.00 0.00 C ATOM 582 O ILE A 46 6.899 1.010 4.862 1.00 0.00 O ATOM 583 CB ILE A 46 5.035 1.558 2.459 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.307 2.485 1.483 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.378 0.186 2.484 1.00 0.00 C ATOM 586 CD1 ILE A 46 4.736 2.302 0.044 1.00 0.00 C ATOM 0 H ILE A 46 6.733 3.393 3.616 1.00 0.00 H new ATOM 0 HA ILE A 46 4.021 2.372 4.179 1.00 0.00 H new ATOM 0 HB ILE A 46 6.064 1.440 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.234 2.309 1.559 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.482 3.520 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.377 -0.235 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.934 -0.471 3.152 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.352 0.280 2.839 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.180 2.991 -0.592 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.803 2.506 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.535 1.277 -0.268 1.00 0.00 H new ATOM 598 N ALA A 47 4.845 0.524 5.638 1.00 0.00 N ATOM 599 CA ALA A 47 5.321 -0.456 6.606 1.00 0.00 C ATOM 600 C ALA A 47 4.427 -1.691 6.625 1.00 0.00 C ATOM 601 O ALA A 47 3.247 -1.610 6.968 1.00 0.00 O ATOM 602 CB ALA A 47 5.395 0.166 7.993 1.00 0.00 C ATOM 0 H ALA A 47 3.833 0.654 5.633 1.00 0.00 H new ATOM 0 HA ALA A 47 6.321 -0.770 6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.752 -0.577 8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.082 1.012 7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.404 0.509 8.291 1.00 0.00 H new ATOM 608 N VAL A 48 4.996 -2.833 6.252 1.00 0.00 N ATOM 609 CA VAL A 48 4.250 -4.085 6.227 1.00 0.00 C ATOM 610 C VAL A 48 4.361 -4.819 7.558 1.00 0.00 C ATOM 611 O VAL A 48 5.455 -4.985 8.096 1.00 0.00 O ATOM 612 CB VAL A 48 4.745 -5.011 5.100 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.936 -6.299 5.072 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.675 -4.299 3.757 1.00 0.00 C ATOM 0 H VAL A 48 5.971 -2.917 5.963 1.00 0.00 H new ATOM 0 HA VAL A 48 3.207 -3.827 6.044 1.00 0.00 H new ATOM 0 HB VAL A 48 5.786 -5.268 5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.300 -6.940 4.269 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.042 -6.816 6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.885 -6.065 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.028 -4.967 2.972 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.644 -4.011 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.302 -3.408 3.784 1.00 0.00 H new ATOM 624 N GLU A 49 3.221 -5.258 8.083 1.00 0.00 N ATOM 625 CA GLU A 49 3.193 -5.975 9.353 1.00 0.00 C ATOM 626 C GLU A 49 2.163 -7.101 9.318 1.00 0.00 C ATOM 627 O GLU A 49 0.982 -6.869 9.066 1.00 0.00 O ATOM 628 CB GLU A 49 2.874 -5.013 10.500 1.00 0.00 C ATOM 629 CG GLU A 49 3.892 -3.896 10.657 1.00 0.00 C ATOM 630 CD GLU A 49 3.396 -2.775 11.550 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.163 -2.622 11.678 1.00 0.00 O ATOM 632 OE2 GLU A 49 4.239 -2.052 12.120 1.00 0.00 O ATOM 0 H GLU A 49 2.307 -5.130 7.650 1.00 0.00 H new ATOM 0 HA GLU A 49 4.178 -6.411 9.517 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.890 -4.576 10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.819 -5.577 11.431 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.813 -4.305 11.072 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.136 -3.492 9.675 1.00 0.00 H new ATOM 639 N GLY A 50 2.622 -8.322 9.575 1.00 0.00 N ATOM 640 CA GLY A 50 1.729 -9.466 9.568 1.00 0.00 C ATOM 641 C GLY A 50 2.165 -10.548 10.537 1.00 0.00 C ATOM 642 O GLY A 50 2.943 -10.306 11.460 1.00 0.00 O ATOM 0 H GLY A 50 3.596 -8.539 9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.721 -9.138 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.683 -9.881 8.561 1.00 0.00 H new ATOM 646 N PRO A 51 1.655 -11.771 10.332 1.00 0.00 N ATOM 647 CA PRO A 51 1.982 -12.918 11.185 1.00 0.00 C ATOM 648 C PRO A 51 3.424 -13.381 11.007 1.00 0.00 C ATOM 649 O PRO A 51 3.941 -14.157 11.811 1.00 0.00 O ATOM 650 CB PRO A 51 1.010 -14.001 10.711 1.00 0.00 C ATOM 651 CG PRO A 51 0.689 -13.632 9.303 1.00 0.00 C ATOM 652 CD PRO A 51 0.722 -12.130 9.251 1.00 0.00 C ATOM 0 HA PRO A 51 1.890 -12.677 12.244 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.462 -14.991 10.768 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.112 -14.025 11.329 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.414 -14.062 8.612 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.291 -14.011 9.014 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.070 -11.769 8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.266 -11.701 9.414 1.00 0.00 H new ATOM 660 N SER A 52 4.069 -12.901 9.948 1.00 0.00 N ATOM 661 CA SER A 52 5.451 -13.267 9.663 1.00 0.00 C ATOM 662 C SER A 52 6.231 -12.072 9.125 1.00 0.00 C ATOM 663 O SER A 52 5.648 -11.082 8.685 1.00 0.00 O ATOM 664 CB SER A 52 5.497 -14.417 8.654 1.00 0.00 C ATOM 665 OG SER A 52 6.827 -14.858 8.445 1.00 0.00 O ATOM 0 H SER A 52 3.656 -12.257 9.273 1.00 0.00 H new ATOM 0 HA SER A 52 5.915 -13.590 10.595 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.888 -15.246 9.014 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.065 -14.092 7.707 1.00 0.00 H new ATOM 0 HG SER A 52 6.830 -15.594 7.798 1.00 0.00 H new ATOM 671 N LYS A 53 7.556 -12.171 9.166 1.00 0.00 N ATOM 672 CA LYS A 53 8.418 -11.101 8.682 1.00 0.00 C ATOM 673 C LYS A 53 8.373 -11.010 7.161 1.00 0.00 C ATOM 674 O LYS A 53 8.489 -12.018 6.466 1.00 0.00 O ATOM 675 CB LYS A 53 9.859 -11.331 9.146 1.00 0.00 C ATOM 676 CG LYS A 53 10.801 -10.192 8.792 1.00 0.00 C ATOM 677 CD LYS A 53 12.129 -10.320 9.518 1.00 0.00 C ATOM 678 CE LYS A 53 13.121 -11.156 8.722 1.00 0.00 C ATOM 679 NZ LYS A 53 14.144 -11.787 9.602 1.00 0.00 N ATOM 0 H LYS A 53 8.055 -12.982 9.530 1.00 0.00 H new ATOM 0 HA LYS A 53 8.053 -10.161 9.095 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.865 -11.474 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.233 -12.253 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.973 -10.182 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.335 -9.241 9.049 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.546 -9.328 9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.968 -10.776 10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.586 -11.931 8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.616 -10.526 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.801 -12.348 9.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.672 -11.047 10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.674 -12.408 10.291 1.00 0.00 H new ATOM 693 N ALA A 54 8.202 -9.795 6.649 1.00 0.00 N ATOM 694 CA ALA A 54 8.143 -9.572 5.210 1.00 0.00 C ATOM 695 C ALA A 54 9.269 -8.651 4.752 1.00 0.00 C ATOM 696 O ALA A 54 9.674 -7.743 5.476 1.00 0.00 O ATOM 697 CB ALA A 54 6.792 -8.992 4.820 1.00 0.00 C ATOM 0 H ALA A 54 8.102 -8.949 7.211 1.00 0.00 H new ATOM 0 HA ALA A 54 8.269 -10.534 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.763 -8.831 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.002 -9.687 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.642 -8.042 5.333 1.00 0.00 H new ATOM 703 N GLU A 55 9.770 -8.893 3.544 1.00 0.00 N ATOM 704 CA GLU A 55 10.850 -8.086 2.990 1.00 0.00 C ATOM 705 C GLU A 55 10.304 -6.815 2.344 1.00 0.00 C ATOM 706 O GLU A 55 9.170 -6.788 1.865 1.00 0.00 O ATOM 707 CB GLU A 55 11.645 -8.892 1.962 1.00 0.00 C ATOM 708 CG GLU A 55 13.091 -8.446 1.822 1.00 0.00 C ATOM 709 CD GLU A 55 14.012 -9.574 1.400 1.00 0.00 C ATOM 710 OE1 GLU A 55 13.729 -10.736 1.758 1.00 0.00 O ATOM 711 OE2 GLU A 55 15.014 -9.294 0.710 1.00 0.00 O ATOM 0 H GLU A 55 9.445 -9.641 2.931 1.00 0.00 H new ATOM 0 HA GLU A 55 11.512 -7.802 3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.624 -9.945 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.154 -8.812 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.150 -7.641 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.435 -8.038 2.772 1.00 0.00 H new ATOM 718 N ILE A 56 11.118 -5.765 2.336 1.00 0.00 N ATOM 719 CA ILE A 56 10.717 -4.492 1.750 1.00 0.00 C ATOM 720 C ILE A 56 11.881 -3.832 1.020 1.00 0.00 C ATOM 721 O ILE A 56 12.995 -3.760 1.541 1.00 0.00 O ATOM 722 CB ILE A 56 10.181 -3.523 2.821 1.00 0.00 C ATOM 723 CG1 ILE A 56 9.031 -4.170 3.596 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.726 -2.222 2.176 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.676 -3.438 4.871 1.00 0.00 C ATOM 0 H ILE A 56 12.059 -5.771 2.729 1.00 0.00 H new ATOM 0 HA ILE A 56 9.921 -4.709 1.038 1.00 0.00 H new ATOM 0 HB ILE A 56 10.985 -3.298 3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.151 -4.214 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.300 -5.198 3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.350 -1.547 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.568 -1.756 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.934 -2.430 1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.853 -3.952 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.543 -3.416 5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.375 -2.418 4.633 1.00 0.00 H new ATOM 737 N THR A 57 11.618 -3.350 -0.191 1.00 0.00 N ATOM 738 CA THR A 57 12.643 -2.695 -0.993 1.00 0.00 C ATOM 739 C THR A 57 12.125 -1.390 -1.588 1.00 0.00 C ATOM 740 O THR A 57 11.384 -1.395 -2.570 1.00 0.00 O ATOM 741 CB THR A 57 13.132 -3.607 -2.133 1.00 0.00 C ATOM 742 OG1 THR A 57 13.478 -4.896 -1.615 1.00 0.00 O ATOM 743 CG2 THR A 57 14.336 -2.998 -2.836 1.00 0.00 C ATOM 0 H THR A 57 10.702 -3.401 -0.638 1.00 0.00 H new ATOM 0 HA THR A 57 13.478 -2.481 -0.326 1.00 0.00 H new ATOM 0 HB THR A 57 12.323 -3.711 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.787 -5.470 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.663 -3.661 -3.637 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.061 -2.030 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 57 15.147 -2.867 -2.120 1.00 0.00 H new ATOM 884 N VAL A 68 7.276 0.227 -4.817 1.00 0.00 N ATOM 885 CA VAL A 68 7.503 -0.466 -3.554 1.00 0.00 C ATOM 886 C VAL A 68 7.190 -1.953 -3.680 1.00 0.00 C ATOM 887 O VAL A 68 6.066 -2.337 -4.000 1.00 0.00 O ATOM 888 CB VAL A 68 6.646 0.133 -2.423 1.00 0.00 C ATOM 889 CG1 VAL A 68 7.000 -0.507 -1.089 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.823 1.643 -2.363 1.00 0.00 C ATOM 0 HA VAL A 68 8.557 -0.338 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 68 5.598 -0.079 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.385 -0.071 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.817 -1.580 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.052 -0.328 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.210 2.049 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.871 1.879 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.515 2.083 -3.311 1.00 0.00 H new ATOM 900 N SER A 69 8.194 -2.787 -3.426 1.00 0.00 N ATOM 901 CA SER A 69 8.028 -4.232 -3.513 1.00 0.00 C ATOM 902 C SER A 69 8.124 -4.876 -2.132 1.00 0.00 C ATOM 903 O SER A 69 8.836 -4.386 -1.256 1.00 0.00 O ATOM 904 CB SER A 69 9.085 -4.834 -4.442 1.00 0.00 C ATOM 905 OG SER A 69 10.388 -4.663 -3.909 1.00 0.00 O ATOM 0 H SER A 69 9.131 -2.486 -3.158 1.00 0.00 H new ATOM 0 HA SER A 69 7.038 -4.434 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.884 -5.895 -4.587 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.024 -4.361 -5.422 1.00 0.00 H new ATOM 0 HG SER A 69 11.045 -5.057 -4.519 1.00 0.00 H new ATOM 911 N TYR A 70 7.401 -5.974 -1.948 1.00 0.00 N ATOM 912 CA TYR A 70 7.401 -6.683 -0.674 1.00 0.00 C ATOM 913 C TYR A 70 7.072 -8.160 -0.873 1.00 0.00 C ATOM 914 O TYR A 70 6.278 -8.519 -1.744 1.00 0.00 O ATOM 915 CB TYR A 70 6.392 -6.050 0.287 1.00 0.00 C ATOM 916 CG TYR A 70 4.956 -6.404 -0.023 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.417 -7.620 0.380 1.00 0.00 C ATOM 918 CD2 TYR A 70 4.137 -5.524 -0.719 1.00 0.00 C ATOM 919 CE1 TYR A 70 3.105 -7.948 0.099 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.824 -5.842 -1.004 1.00 0.00 C ATOM 921 CZ TYR A 70 2.312 -7.056 -0.592 1.00 0.00 C ATOM 922 OH TYR A 70 1.004 -7.378 -0.875 1.00 0.00 O ATOM 0 H TYR A 70 6.808 -6.393 -2.664 1.00 0.00 H new ATOM 0 HA TYR A 70 8.400 -6.606 -0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.624 -6.366 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.505 -4.966 0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.035 -8.321 0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.535 -4.574 -1.043 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.702 -8.898 0.419 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.201 -5.145 -1.546 1.00 0.00 H new ATOM 0 HH TYR A 70 0.585 -6.641 -1.366 1.00 0.00 H new ATOM 932 N ILE A 71 7.686 -9.011 -0.059 1.00 0.00 N ATOM 933 CA ILE A 71 7.459 -10.448 -0.143 1.00 0.00 C ATOM 934 C ILE A 71 7.106 -11.030 1.222 1.00 0.00 C ATOM 935 O ILE A 71 7.742 -10.712 2.226 1.00 0.00 O ATOM 936 CB ILE A 71 8.693 -11.183 -0.698 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.847 -10.907 -2.196 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.582 -12.678 -0.437 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.215 -11.259 -2.737 1.00 0.00 C ATOM 0 H ILE A 71 8.345 -8.730 0.667 1.00 0.00 H new ATOM 0 HA ILE A 71 6.622 -10.595 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 71 9.580 -10.810 -0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.093 -11.474 -2.741 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.651 -9.852 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.462 -13.183 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.516 -12.856 0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.688 -13.067 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.252 -11.038 -3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.973 -10.673 -2.218 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.406 -12.321 -2.580 1.00 0.00 H new ATOM 951 N ALA A 72 6.088 -11.885 1.250 1.00 0.00 N ATOM 952 CA ALA A 72 5.654 -12.515 2.490 1.00 0.00 C ATOM 953 C ALA A 72 5.947 -14.012 2.478 1.00 0.00 C ATOM 954 O ALA A 72 5.199 -14.794 1.893 1.00 0.00 O ATOM 955 CB ALA A 72 4.170 -12.268 2.716 1.00 0.00 C ATOM 0 H ALA A 72 5.549 -12.157 0.428 1.00 0.00 H new ATOM 0 HA ALA A 72 6.215 -12.068 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.859 -12.744 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.985 -11.196 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.601 -12.687 1.886 1.00 0.00 H new ATOM 961 N GLN A 73 7.039 -14.401 3.128 1.00 0.00 N ATOM 962 CA GLN A 73 7.430 -15.804 3.191 1.00 0.00 C ATOM 963 C GLN A 73 6.223 -16.694 3.467 1.00 0.00 C ATOM 964 O GLN A 73 5.941 -17.624 2.714 1.00 0.00 O ATOM 965 CB GLN A 73 8.492 -16.012 4.272 1.00 0.00 C ATOM 966 CG GLN A 73 9.829 -15.369 3.944 1.00 0.00 C ATOM 967 CD GLN A 73 10.588 -16.118 2.866 1.00 0.00 C ATOM 968 OE1 GLN A 73 11.284 -17.094 3.146 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.457 -15.664 1.625 1.00 0.00 N ATOM 0 H GLN A 73 7.668 -13.765 3.618 1.00 0.00 H new ATOM 0 HA GLN A 73 7.849 -16.082 2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.124 -15.605 5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.640 -17.081 4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.664 -14.342 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.438 -15.324 4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.869 -14.851 1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.944 -16.128 0.858 1.00 0.00 H new ATOM 978 N GLU A 74 5.514 -16.401 4.554 1.00 0.00 N ATOM 979 CA GLU A 74 4.339 -17.176 4.930 1.00 0.00 C ATOM 980 C GLU A 74 3.058 -16.412 4.610 1.00 0.00 C ATOM 981 O GLU A 74 2.991 -15.188 4.722 1.00 0.00 O ATOM 982 CB GLU A 74 4.382 -17.519 6.421 1.00 0.00 C ATOM 983 CG GLU A 74 5.651 -18.239 6.843 1.00 0.00 C ATOM 984 CD GLU A 74 5.734 -19.648 6.292 1.00 0.00 C ATOM 985 OE1 GLU A 74 4.827 -20.454 6.588 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.705 -19.946 5.564 1.00 0.00 O ATOM 0 H GLU A 74 5.734 -15.633 5.188 1.00 0.00 H new ATOM 0 HA GLU A 74 4.345 -18.100 4.352 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.286 -16.600 7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.522 -18.142 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.517 -17.669 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.699 -18.275 7.931 1.00 0.00 H new ATOM 993 N PRO A 75 2.015 -17.151 4.200 1.00 0.00 N ATOM 994 CA PRO A 75 0.717 -16.564 3.855 1.00 0.00 C ATOM 995 C PRO A 75 -0.019 -16.025 5.076 1.00 0.00 C ATOM 996 O PRO A 75 0.143 -16.533 6.185 1.00 0.00 O ATOM 997 CB PRO A 75 -0.051 -17.738 3.243 1.00 0.00 C ATOM 998 CG PRO A 75 0.572 -18.952 3.842 1.00 0.00 C ATOM 999 CD PRO A 75 2.024 -18.615 4.044 1.00 0.00 C ATOM 0 HA PRO A 75 0.821 -15.709 3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.114 -17.681 3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.035 -17.744 2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.096 -19.209 4.788 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.459 -19.814 3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.433 -19.111 4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.631 -18.925 3.193 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.830 -14.991 4.865 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.579 -14.402 5.959 1.00 0.00 C ATOM 1009 C GLY A 76 -2.088 -13.012 5.630 1.00 0.00 C ATOM 1010 O GLY A 76 -1.863 -12.505 4.531 1.00 0.00 O ATOM 0 H GLY A 76 -0.981 -14.552 3.957 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.423 -15.046 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.945 -14.354 6.845 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.780 -12.396 6.582 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.326 -11.057 6.387 1.00 0.00 C ATOM 1016 C ASN A 77 -2.306 -9.992 6.773 1.00 0.00 C ATOM 1017 O ASN A 77 -2.161 -9.654 7.949 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.603 -10.880 7.209 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.347 -10.967 8.702 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.436 -11.666 9.146 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -5.153 -10.257 9.482 1.00 0.00 N ATOM 0 H ASN A 77 -2.976 -12.802 7.497 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.564 -10.939 5.330 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.051 -9.914 6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.325 -11.644 6.922 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.030 -10.277 10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.895 -9.692 9.069 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.601 -9.466 5.778 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.593 -8.439 6.015 1.00 0.00 C ATOM 1030 C TYR A 78 -1.210 -7.046 5.958 1.00 0.00 C ATOM 1031 O TYR A 78 -1.791 -6.653 4.946 1.00 0.00 O ATOM 1032 CB TYR A 78 0.532 -8.553 4.984 1.00 0.00 C ATOM 1033 CG TYR A 78 1.458 -9.724 5.225 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.079 -11.016 4.884 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.712 -9.537 5.793 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.921 -12.088 5.104 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.562 -10.604 6.015 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.162 -11.878 5.668 1.00 0.00 C ATOM 1039 OH TYR A 78 4.004 -12.944 5.888 1.00 0.00 O ATOM 0 H TYR A 78 -1.709 -9.734 4.800 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.181 -8.593 7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.094 -8.645 3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.115 -7.632 4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.109 -11.185 4.439 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.028 -8.541 6.066 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.609 -13.087 4.836 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.534 -10.441 6.458 1.00 0.00 H new ATOM 0 HH TYR A 78 3.541 -13.778 5.665 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.079 -6.302 7.053 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.625 -4.952 7.129 1.00 0.00 C ATOM 1051 C GLU A 79 -0.547 -3.912 6.834 1.00 0.00 C ATOM 1052 O GLU A 79 0.221 -3.531 7.716 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.229 -4.698 8.512 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.390 -3.720 8.499 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.595 -3.039 9.838 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.619 -2.948 10.612 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.731 -2.599 10.113 1.00 0.00 O ATOM 0 H GLU A 79 -0.600 -6.612 7.899 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.409 -4.862 6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.568 -5.646 8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.452 -4.317 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.214 -2.964 7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.302 -4.248 8.221 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.497 -3.460 5.584 1.00 0.00 N ATOM 1065 CA VAL A 80 0.485 -2.464 5.172 1.00 0.00 C ATOM 1066 C VAL A 80 0.043 -1.060 5.566 1.00 0.00 C ATOM 1067 O VAL A 80 -0.936 -0.533 5.035 1.00 0.00 O ATOM 1068 CB VAL A 80 0.724 -2.508 3.651 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.916 -1.643 3.272 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.926 -3.942 3.185 1.00 0.00 C ATOM 0 H VAL A 80 -1.124 -3.767 4.841 1.00 0.00 H new ATOM 0 HA VAL A 80 1.416 -2.705 5.686 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.158 -2.108 3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.069 -1.687 2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.727 -0.612 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.808 -2.010 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.094 -3.954 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.791 -4.371 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.039 -4.530 3.421 1.00 0.00 H new ATOM 1080 N SER A 81 0.771 -0.455 6.501 1.00 0.00 N ATOM 1081 CA SER A 81 0.451 0.889 6.968 1.00 0.00 C ATOM 1082 C SER A 81 1.133 1.941 6.100 1.00 0.00 C ATOM 1083 O SER A 81 2.356 1.942 5.952 1.00 0.00 O ATOM 1084 CB SER A 81 0.879 1.058 8.427 1.00 0.00 C ATOM 1085 OG SER A 81 -0.014 0.389 9.301 1.00 0.00 O ATOM 0 H SER A 81 1.586 -0.875 6.949 1.00 0.00 H new ATOM 0 HA SER A 81 -0.628 1.027 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.887 0.665 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.914 2.118 8.679 1.00 0.00 H new ATOM 0 HG SER A 81 0.282 0.511 10.227 1.00 0.00 H new ATOM 1091 N ILE A 82 0.335 2.837 5.529 1.00 0.00 N ATOM 1092 CA ILE A 82 0.860 3.896 4.678 1.00 0.00 C ATOM 1093 C ILE A 82 0.661 5.266 5.317 1.00 0.00 C ATOM 1094 O ILE A 82 -0.369 5.528 5.941 1.00 0.00 O ATOM 1095 CB ILE A 82 0.191 3.888 3.290 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.357 2.518 2.629 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.779 4.981 2.412 1.00 0.00 C ATOM 1098 CD1 ILE A 82 -0.199 2.454 1.224 1.00 0.00 C ATOM 0 H ILE A 82 -0.679 2.850 5.641 1.00 0.00 H new ATOM 0 HA ILE A 82 1.926 3.704 4.560 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.874 4.084 3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.416 2.262 2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.139 1.765 3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.296 4.962 1.435 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.614 5.952 2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.849 4.814 2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.047 1.454 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.265 2.679 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.314 3.183 0.596 1.00 0.00 H new ATOM 1110 N LYS A 83 1.650 6.137 5.158 1.00 0.00 N ATOM 1111 CA LYS A 83 1.583 7.482 5.716 1.00 0.00 C ATOM 1112 C LYS A 83 2.127 8.510 4.728 1.00 0.00 C ATOM 1113 O LYS A 83 3.267 8.404 4.272 1.00 0.00 O ATOM 1114 CB LYS A 83 2.370 7.552 7.026 1.00 0.00 C ATOM 1115 CG LYS A 83 1.553 7.171 8.248 1.00 0.00 C ATOM 1116 CD LYS A 83 2.060 7.869 9.499 1.00 0.00 C ATOM 1117 CE LYS A 83 3.283 7.169 10.070 1.00 0.00 C ATOM 1118 NZ LYS A 83 4.536 7.597 9.389 1.00 0.00 N ATOM 0 H LYS A 83 2.509 5.936 4.646 1.00 0.00 H new ATOM 0 HA LYS A 83 0.537 7.714 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.234 6.891 6.957 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.753 8.564 7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.508 7.432 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.593 6.091 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.308 8.904 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.270 7.893 10.249 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.358 7.382 11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.165 6.090 9.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.337 7.507 10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.702 6.996 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.446 8.588 9.087 1.00 0.00 H new ATOM 1132 N PHE A 84 1.307 9.503 4.402 1.00 0.00 N ATOM 1133 CA PHE A 84 1.707 10.550 3.469 1.00 0.00 C ATOM 1134 C PHE A 84 1.989 11.857 4.205 1.00 0.00 C ATOM 1135 O PHE A 84 1.083 12.479 4.756 1.00 0.00 O ATOM 1136 CB PHE A 84 0.617 10.769 2.418 1.00 0.00 C ATOM 1137 CG PHE A 84 0.950 11.844 1.424 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.656 11.545 0.270 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.556 13.155 1.643 1.00 0.00 C ATOM 1140 CE1 PHE A 84 1.964 12.533 -0.646 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.862 14.147 0.730 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.566 13.836 -0.416 1.00 0.00 C ATOM 0 H PHE A 84 0.361 9.605 4.770 1.00 0.00 H new ATOM 0 HA PHE A 84 2.623 10.229 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.444 9.834 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.315 11.027 2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.969 10.528 0.084 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.004 13.404 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.516 12.287 -1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.550 15.165 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.805 14.609 -1.131 1.00 0.00 H new ATOM 1152 N ASN A 85 3.254 12.265 4.209 1.00 0.00 N ATOM 1153 CA ASN A 85 3.657 13.497 4.878 1.00 0.00 C ATOM 1154 C ASN A 85 3.368 13.423 6.374 1.00 0.00 C ATOM 1155 O ASN A 85 3.019 14.425 7.000 1.00 0.00 O ATOM 1156 CB ASN A 85 2.932 14.696 4.265 1.00 0.00 C ATOM 1157 CG ASN A 85 3.615 15.206 3.011 1.00 0.00 C ATOM 1158 OD1 ASN A 85 4.448 14.517 2.420 1.00 0.00 O ATOM 1159 ND2 ASN A 85 3.266 16.419 2.598 1.00 0.00 N ATOM 0 H ASN A 85 4.017 11.761 3.757 1.00 0.00 H new ATOM 0 HA ASN A 85 4.731 13.622 4.739 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.906 14.414 4.028 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.880 15.500 4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.693 16.815 1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.571 16.955 3.118 1.00 0.00 H new ATOM 1166 N ASP A 86 3.514 12.231 6.941 1.00 0.00 N ATOM 1167 CA ASP A 86 3.269 12.027 8.364 1.00 0.00 C ATOM 1168 C ASP A 86 1.774 12.040 8.667 1.00 0.00 C ATOM 1169 O ASP A 86 1.348 12.530 9.713 1.00 0.00 O ATOM 1170 CB ASP A 86 3.980 13.104 9.186 1.00 0.00 C ATOM 1171 CG ASP A 86 5.375 13.399 8.672 1.00 0.00 C ATOM 1172 OD1 ASP A 86 6.241 12.503 8.757 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.601 14.525 8.183 1.00 0.00 O ATOM 0 H ASP A 86 3.801 11.391 6.438 1.00 0.00 H new ATOM 0 HA ASP A 86 3.667 11.050 8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.389 14.019 9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.040 12.783 10.226 1.00 0.00 H new ATOM 1178 N GLU A 87 0.984 11.503 7.743 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.463 11.457 7.911 1.00 0.00 C ATOM 1180 C GLU A 87 -1.021 10.109 7.464 1.00 0.00 C ATOM 1181 O GLU A 87 -0.593 9.551 6.452 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.128 12.584 7.117 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.266 13.879 7.898 1.00 0.00 C ATOM 1184 CD GLU A 87 -2.163 14.886 7.204 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -3.263 14.495 6.762 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.764 16.066 7.103 1.00 0.00 O ATOM 0 H GLU A 87 1.321 11.094 6.871 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.683 11.589 8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.546 12.774 6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.117 12.256 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.668 13.661 8.887 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.279 14.318 8.045 1.00 0.00 H new ATOM 1193 N HIS A 88 -1.977 9.588 8.226 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.594 8.304 7.910 1.00 0.00 C ATOM 1195 C HIS A 88 -3.809 8.493 7.006 1.00 0.00 C ATOM 1196 O HIS A 88 -4.936 8.621 7.485 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.005 7.581 9.192 1.00 0.00 C ATOM 1198 CG HIS A 88 -1.963 6.636 9.707 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -1.944 5.293 9.394 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -0.899 6.847 10.517 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -0.914 4.719 9.990 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.263 5.640 10.678 1.00 0.00 N ATOM 0 H HIS A 88 -2.342 10.035 9.067 1.00 0.00 H new ATOM 0 HA HIS A 88 -1.860 7.697 7.380 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.225 8.321 9.962 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.926 7.028 9.008 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.605 7.789 10.955 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.649 3.674 9.926 1.00 0.00 H new ATOM 0 HE2 HIS A 88 0.575 5.481 11.237 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.571 8.510 5.699 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.647 8.683 4.730 1.00 0.00 C ATOM 1212 C ILE A 89 -5.892 7.907 5.147 1.00 0.00 C ATOM 1213 O ILE A 89 -5.825 6.934 5.898 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.217 8.225 3.324 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.479 6.886 3.403 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.339 9.280 2.669 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.763 6.514 2.124 1.00 0.00 C ATOM 0 H ILE A 89 -2.644 8.406 5.287 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.878 9.748 4.701 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.110 8.092 2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.755 6.927 4.216 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.193 6.101 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.043 8.942 1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.895 10.214 2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.449 9.442 3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.263 5.554 2.253 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.485 6.440 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.024 7.279 1.885 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.056 8.345 4.646 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.340 7.704 4.950 1.00 0.00 C ATOM 1231 C PRO A 90 -8.467 6.328 4.306 1.00 0.00 C ATOM 1232 O PRO A 90 -9.514 5.687 4.394 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.367 8.670 4.356 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.635 9.386 3.273 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.210 9.498 3.743 1.00 0.00 C ATOM 0 HA PRO A 90 -8.467 7.530 6.019 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.231 8.135 3.962 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.738 9.365 5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.694 8.838 2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.066 10.371 3.095 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.508 9.453 2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.031 10.440 4.261 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.395 5.880 3.659 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.390 4.578 3.001 1.00 0.00 C ATOM 1245 C GLU A 91 -6.409 3.628 3.683 1.00 0.00 C ATOM 1246 O GLU A 91 -6.412 2.425 3.422 1.00 0.00 O ATOM 1247 CB GLU A 91 -7.025 4.733 1.523 1.00 0.00 C ATOM 1248 CG GLU A 91 -8.188 5.178 0.653 1.00 0.00 C ATOM 1249 CD GLU A 91 -8.060 4.699 -0.780 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -8.428 3.538 -1.054 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -7.592 5.488 -1.629 1.00 0.00 O ATOM 0 H GLU A 91 -6.520 6.398 3.577 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.391 4.154 3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.216 5.457 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.646 3.782 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.119 4.801 1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.250 6.266 0.664 1.00 0.00 H new ATOM 1258 N SER A 92 -5.571 4.178 4.556 1.00 0.00 N ATOM 1259 CA SER A 92 -4.581 3.381 5.272 1.00 0.00 C ATOM 1260 C SER A 92 -4.931 3.286 6.754 1.00 0.00 C ATOM 1261 O SER A 92 -5.617 4.141 7.313 1.00 0.00 O ATOM 1262 CB SER A 92 -3.188 3.988 5.103 1.00 0.00 C ATOM 1263 OG SER A 92 -2.900 4.904 6.145 1.00 0.00 O ATOM 0 H SER A 92 -5.558 5.172 4.785 1.00 0.00 H new ATOM 0 HA SER A 92 -4.584 2.376 4.850 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.441 3.194 5.096 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.124 4.496 4.141 1.00 0.00 H new ATOM 0 HG SER A 92 -1.936 4.906 6.321 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.447 2.218 7.407 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.629 1.194 6.752 1.00 0.00 C ATOM 1271 C PRO A 93 -4.435 0.350 5.770 1.00 0.00 C ATOM 1272 O PRO A 93 -5.646 0.524 5.635 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.138 0.332 7.919 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.161 0.520 8.985 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.661 1.930 8.835 1.00 0.00 C ATOM 0 HA PRO A 93 -2.826 1.632 6.159 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.055 -0.716 7.630 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.151 0.648 8.257 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.975 -0.196 8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.729 0.362 9.973 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.713 2.015 9.109 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.109 2.622 9.471 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.755 -0.565 5.087 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.408 -1.435 4.116 1.00 0.00 C ATOM 1285 C TYR A 94 -4.254 -2.901 4.507 1.00 0.00 C ATOM 1286 O TYR A 94 -3.249 -3.296 5.100 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.825 -1.204 2.720 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.947 0.225 2.242 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.099 1.215 2.725 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.908 0.586 1.307 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.208 2.522 2.291 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -5.023 1.889 0.866 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.171 2.855 1.362 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.281 4.155 0.925 1.00 0.00 O ATOM 0 H TYR A 94 -2.752 -0.723 5.188 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.470 -1.191 4.104 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.773 -1.489 2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.331 -1.860 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.342 0.958 3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.578 -0.166 0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.542 3.279 2.678 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.775 2.151 0.137 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.506 4.380 0.369 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.257 -3.705 4.170 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.235 -5.129 4.486 1.00 0.00 C ATOM 1306 C LEU A 95 -5.152 -5.967 3.214 1.00 0.00 C ATOM 1307 O LEU A 95 -6.094 -6.010 2.424 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.482 -5.514 5.283 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.428 -6.862 6.004 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.376 -6.838 7.102 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.792 -7.216 6.577 1.00 0.00 C ATOM 0 H LEU A 95 -6.095 -3.395 3.678 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.350 -5.329 5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.670 -4.736 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.335 -5.522 4.604 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.151 -7.628 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.352 -7.805 7.604 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.399 -6.631 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.622 -6.060 7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.734 -8.178 7.086 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.099 -6.448 7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.521 -7.276 5.769 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.018 -6.633 3.022 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.812 -7.473 1.848 1.00 0.00 C ATOM 1325 C VAL A 96 -3.732 -8.945 2.233 1.00 0.00 C ATOM 1326 O VAL A 96 -2.726 -9.420 2.761 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.527 -7.080 1.096 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.545 -7.639 -0.319 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.362 -5.567 1.077 1.00 0.00 C ATOM 0 H VAL A 96 -3.227 -6.607 3.665 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.669 -7.318 1.193 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.674 -7.509 1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.629 -7.351 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.613 -8.726 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.405 -7.240 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.449 -5.307 0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.218 -5.114 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.301 -5.195 2.100 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.816 -9.687 1.963 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.893 -11.118 2.272 1.00 0.00 C ATOM 1341 C PRO A 97 -3.979 -11.953 1.381 1.00 0.00 C ATOM 1342 O PRO A 97 -4.336 -12.292 0.254 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.360 -11.460 2.003 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.812 -10.442 1.013 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.050 -9.186 1.335 1.00 0.00 C ATOM 0 HA PRO A 97 -4.571 -11.333 3.291 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.465 -12.470 1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.951 -11.413 2.917 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.609 -10.771 -0.006 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.887 -10.276 1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.837 -8.604 0.438 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.610 -8.538 2.010 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.798 -12.283 1.897 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.834 -13.080 1.149 1.00 0.00 C ATOM 1355 C VAL A 98 -2.072 -14.571 1.361 1.00 0.00 C ATOM 1356 O VAL A 98 -2.186 -15.036 2.496 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.388 -12.738 1.555 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.599 -13.627 0.813 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.095 -11.269 1.294 1.00 0.00 C ATOM 0 H VAL A 98 -2.487 -12.010 2.829 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.973 -12.839 0.095 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.275 -12.923 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.615 -13.371 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.401 -14.671 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.488 -13.476 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.931 -11.045 1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.225 -11.055 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.781 -10.652 1.875 1.00 0.00 H new ATOM 1369 N ILE A 99 -2.142 -15.315 0.263 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.364 -16.754 0.329 1.00 0.00 C ATOM 1371 C ILE A 99 -1.253 -17.515 -0.388 1.00 0.00 C ATOM 1372 O ILE A 99 -0.553 -16.960 -1.232 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.720 -17.145 -0.289 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.754 -16.773 -1.772 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.858 -16.465 0.459 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.643 -17.675 -2.601 1.00 0.00 C ATOM 0 H ILE A 99 -2.048 -14.945 -0.683 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.364 -17.024 1.385 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.846 -18.224 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.099 -15.744 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.740 -16.809 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.810 -16.751 0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.842 -16.773 1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.738 -15.383 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.619 -17.353 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.286 -18.702 -2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.666 -17.620 -2.228 1.00 0.00 H new ATOM 1388 N ALA A 100 -1.101 -18.790 -0.045 1.00 0.00 N ATOM 1389 CA ALA A 100 -0.079 -19.629 -0.658 1.00 0.00 C ATOM 1390 C ALA A 100 -0.545 -20.163 -2.009 1.00 0.00 C ATOM 1391 O ALA A 100 -1.506 -20.926 -2.104 1.00 0.00 O ATOM 1392 CB ALA A 100 0.286 -20.779 0.268 1.00 0.00 C ATOM 0 H ALA A 100 -1.673 -19.264 0.654 1.00 0.00 H new ATOM 0 HA ALA A 100 0.807 -19.016 -0.824 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.050 -21.397 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.669 -20.382 1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.600 -21.384 0.464 1.00 0.00 H new ATOM 1398 N PRO A 101 0.151 -19.753 -3.080 1.00 0.00 N ATOM 1399 CA PRO A 101 -0.174 -20.178 -4.445 1.00 0.00 C ATOM 1400 C PRO A 101 0.140 -21.651 -4.683 1.00 0.00 C ATOM 1401 O PRO A 101 1.287 -22.079 -4.561 1.00 0.00 O ATOM 1402 CB PRO A 101 0.722 -19.293 -5.315 1.00 0.00 C ATOM 1403 CG PRO A 101 1.869 -18.932 -4.434 1.00 0.00 C ATOM 1404 CD PRO A 101 1.308 -18.843 -3.042 1.00 0.00 C ATOM 0 HA PRO A 101 -1.237 -20.075 -4.662 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.059 -19.824 -6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.190 -18.405 -5.656 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.656 -19.684 -4.490 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.312 -17.983 -4.738 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.038 -19.153 -2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.010 -17.824 -2.794 1.00 0.00 H new