USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=12 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 83 LYS NZ :NH3+ -117:sc= 1.29 (180deg=0) USER MOD Set 1.3: A 88 HIS : no HE2:sc= -1.34! K(o=-0.055!,f=-5.3) USER MOD Single : A 12 HIS : no HD1:sc= -3.25 K(o=-3.3,f=-4.3!) 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 -140:sc= 0 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= -0.453 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.32) USER MOD Single : A 77 ASN : amide:sc= -0.953! C(o=-0.95!,f=-5!) USER MOD Single : A 78 TYR OH : rot 10:sc= 0.985 USER MOD Single : A 85 ASN : amide:sc= -7.12! C(o=-7.1!,f=-8.2!) USER MOD Single : A 92 SER OG : rot 158:sc= 1.09 USER MOD Single : A 94 TYR OH : rot 165:sc= -2.43 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -2.801 17.347 1.141 1.00 0.00 N ATOM 89 CA GLY A 10 -2.022 16.589 2.102 1.00 0.00 C ATOM 90 C GLY A 10 -2.285 15.098 2.014 1.00 0.00 C ATOM 91 O GLY A 10 -2.071 14.484 0.970 1.00 0.00 O ATOM 0 HA2 GLY A 10 -0.962 16.778 1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.254 16.937 3.109 1.00 0.00 H new ATOM 95 N ALA A 11 -2.750 14.515 3.115 1.00 0.00 N ATOM 96 CA ALA A 11 -3.043 13.088 3.159 1.00 0.00 C ATOM 97 C ALA A 11 -4.360 12.777 2.455 1.00 0.00 C ATOM 98 O ALA A 11 -4.380 12.108 1.421 1.00 0.00 O ATOM 99 CB ALA A 11 -3.082 12.602 4.599 1.00 0.00 C ATOM 0 H ALA A 11 -2.932 15.010 3.988 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.247 12.561 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.302 11.535 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.115 12.781 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.857 13.141 5.144 1.00 0.00 H new ATOM 105 N HIS A 12 -5.458 13.266 3.023 1.00 0.00 N ATOM 106 CA HIS A 12 -6.780 13.038 2.451 1.00 0.00 C ATOM 107 C HIS A 12 -6.730 13.099 0.927 1.00 0.00 C ATOM 108 O HIS A 12 -7.538 12.470 0.244 1.00 0.00 O ATOM 109 CB HIS A 12 -7.774 14.072 2.982 1.00 0.00 C ATOM 110 CG HIS A 12 -7.491 15.468 2.519 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.250 16.060 2.626 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.297 16.389 1.941 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.306 17.286 2.137 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.537 17.510 1.714 1.00 0.00 N ATOM 0 H HIS A 12 -5.458 13.822 3.878 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.110 12.042 2.747 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.780 13.791 2.669 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.761 14.050 4.072 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.343 16.265 1.703 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.485 17.986 2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.869 18.375 1.288 1.00 0.00 H new ATOM 122 N LYS A 13 -5.778 13.862 0.402 1.00 0.00 N ATOM 123 CA LYS A 13 -5.622 14.006 -1.040 1.00 0.00 C ATOM 124 C LYS A 13 -4.582 13.027 -1.576 1.00 0.00 C ATOM 125 O LYS A 13 -3.819 13.352 -2.486 1.00 0.00 O ATOM 126 CB LYS A 13 -5.215 15.439 -1.390 1.00 0.00 C ATOM 127 CG LYS A 13 -6.219 16.484 -0.936 1.00 0.00 C ATOM 128 CD LYS A 13 -7.276 16.741 -1.996 1.00 0.00 C ATOM 129 CE LYS A 13 -8.352 15.666 -1.982 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.663 16.185 -2.463 1.00 0.00 N ATOM 0 H LYS A 13 -5.102 14.391 0.954 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.581 13.782 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.248 15.655 -0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.084 15.517 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.699 16.152 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.699 17.414 -0.707 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.732 17.716 -1.827 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.806 16.775 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.040 14.832 -2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.465 15.278 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.369 15.422 -2.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.974 16.965 -1.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.562 16.532 -3.438 1.00 0.00 H new ATOM 144 N VAL A 14 -4.557 11.826 -1.006 1.00 0.00 N ATOM 145 CA VAL A 14 -3.613 10.799 -1.426 1.00 0.00 C ATOM 146 C VAL A 14 -4.265 9.421 -1.432 1.00 0.00 C ATOM 147 O VAL A 14 -4.709 8.929 -0.395 1.00 0.00 O ATOM 148 CB VAL A 14 -2.375 10.765 -0.511 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.590 9.478 -0.721 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.496 11.981 -0.757 1.00 0.00 C ATOM 0 H VAL A 14 -5.181 11.541 -0.251 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.300 11.054 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.711 10.793 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.719 9.472 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.225 8.623 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.264 9.416 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.626 11.940 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.167 11.988 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.064 12.888 -0.550 1.00 0.00 H new ATOM 160 N ARG A 15 -4.322 8.804 -2.609 1.00 0.00 N ATOM 161 CA ARG A 15 -4.922 7.483 -2.750 1.00 0.00 C ATOM 162 C ARG A 15 -3.931 6.499 -3.366 1.00 0.00 C ATOM 163 O ARG A 15 -2.987 6.898 -4.047 1.00 0.00 O ATOM 164 CB ARG A 15 -6.182 7.561 -3.612 1.00 0.00 C ATOM 165 CG ARG A 15 -6.961 6.257 -3.674 1.00 0.00 C ATOM 166 CD ARG A 15 -8.438 6.502 -3.942 1.00 0.00 C ATOM 167 NE ARG A 15 -9.234 5.290 -3.768 1.00 0.00 N ATOM 168 CZ ARG A 15 -10.535 5.223 -4.025 1.00 0.00 C ATOM 169 NH1 ARG A 15 -11.183 6.292 -4.467 1.00 0.00 N ATOM 170 NH2 ARG A 15 -11.191 4.084 -3.841 1.00 0.00 N ATOM 0 H ARG A 15 -3.960 9.198 -3.477 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.192 7.126 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.832 8.344 -3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.902 7.855 -4.623 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.548 5.622 -4.458 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.845 5.718 -2.734 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.805 7.277 -3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.565 6.876 -4.958 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.765 4.449 -3.431 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.682 7.169 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.182 6.237 -4.664 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.696 3.259 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.190 4.033 -4.039 1.00 0.00 H new ATOM 184 N ALA A 16 -4.153 5.213 -3.121 1.00 0.00 N ATOM 185 CA ALA A 16 -3.282 4.172 -3.653 1.00 0.00 C ATOM 186 C ALA A 16 -4.092 3.059 -4.308 1.00 0.00 C ATOM 187 O ALA A 16 -5.110 2.622 -3.775 1.00 0.00 O ATOM 188 CB ALA A 16 -2.401 3.606 -2.549 1.00 0.00 C ATOM 0 H ALA A 16 -4.929 4.866 -2.557 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.647 4.620 -4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.756 2.830 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.787 4.403 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.028 3.179 -1.766 1.00 0.00 H new ATOM 222 N GLY A 20 -1.285 -5.489 -6.615 1.00 0.00 N ATOM 223 CA GLY A 20 -0.543 -5.798 -5.408 1.00 0.00 C ATOM 224 C GLY A 20 -1.377 -5.626 -4.154 1.00 0.00 C ATOM 225 O GLY A 20 -1.263 -6.410 -3.210 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.180 -6.824 -5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.333 -5.153 -5.349 1.00 0.00 H new ATOM 229 N LEU A 21 -2.216 -4.596 -4.141 1.00 0.00 N ATOM 230 CA LEU A 21 -3.072 -4.323 -2.992 1.00 0.00 C ATOM 231 C LEU A 21 -4.283 -5.250 -2.981 1.00 0.00 C ATOM 232 O LEU A 21 -4.715 -5.708 -1.924 1.00 0.00 O ATOM 233 CB LEU A 21 -3.533 -2.864 -3.011 1.00 0.00 C ATOM 234 CG LEU A 21 -2.444 -1.812 -2.802 1.00 0.00 C ATOM 235 CD1 LEU A 21 -3.011 -0.412 -2.983 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.815 -1.961 -1.425 1.00 0.00 C ATOM 0 H LEU A 21 -2.322 -3.937 -4.912 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.492 -4.504 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.018 -2.670 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.290 -2.733 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.668 -1.967 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.221 0.323 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.412 -0.309 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.807 -0.245 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.042 -1.204 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.581 -1.834 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.371 -2.952 -1.333 1.00 0.00 H new ATOM 248 N GLU A 22 -4.823 -5.525 -4.164 1.00 0.00 N ATOM 249 CA GLU A 22 -5.983 -6.400 -4.289 1.00 0.00 C ATOM 250 C GLU A 22 -5.758 -7.712 -3.542 1.00 0.00 C ATOM 251 O GLU A 22 -6.512 -8.058 -2.634 1.00 0.00 O ATOM 252 CB GLU A 22 -6.279 -6.684 -5.763 1.00 0.00 C ATOM 253 CG GLU A 22 -6.572 -5.434 -6.577 1.00 0.00 C ATOM 254 CD GLU A 22 -7.800 -4.694 -6.085 1.00 0.00 C ATOM 255 OE1 GLU A 22 -7.693 -3.978 -5.066 1.00 0.00 O ATOM 256 OE2 GLU A 22 -8.868 -4.830 -6.717 1.00 0.00 O ATOM 0 H GLU A 22 -4.476 -5.155 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.839 -5.891 -3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.427 -7.202 -6.203 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.132 -7.359 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.710 -4.768 -6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.713 -5.710 -7.622 1.00 0.00 H new ATOM 263 N ARG A 23 -4.714 -8.436 -3.932 1.00 0.00 N ATOM 264 CA ARG A 23 -4.390 -9.710 -3.301 1.00 0.00 C ATOM 265 C ARG A 23 -2.941 -10.100 -3.577 1.00 0.00 C ATOM 266 O ARG A 23 -2.437 -9.912 -4.683 1.00 0.00 O ATOM 267 CB ARG A 23 -5.329 -10.808 -3.807 1.00 0.00 C ATOM 268 CG ARG A 23 -5.563 -11.921 -2.800 1.00 0.00 C ATOM 269 CD ARG A 23 -5.836 -13.248 -3.490 1.00 0.00 C ATOM 270 NE ARG A 23 -7.120 -13.248 -4.186 1.00 0.00 N ATOM 271 CZ ARG A 23 -7.765 -14.356 -4.536 1.00 0.00 C ATOM 272 NH1 ARG A 23 -7.249 -15.545 -4.258 1.00 0.00 N ATOM 273 NH2 ARG A 23 -8.930 -14.275 -5.167 1.00 0.00 N ATOM 0 H ARG A 23 -4.078 -8.162 -4.681 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.520 -9.597 -2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.287 -10.361 -4.071 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.915 -11.236 -4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.690 -12.018 -2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.406 -11.662 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.038 -13.458 -4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.824 -14.050 -2.752 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.544 -12.349 -4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.354 -15.612 -3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.747 -16.393 -4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.330 -13.362 -5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.425 -15.126 -5.436 1.00 0.00 H new ATOM 287 N GLY A 24 -2.276 -10.644 -2.561 1.00 0.00 N ATOM 288 CA GLY A 24 -0.892 -11.050 -2.714 1.00 0.00 C ATOM 289 C GLY A 24 -0.718 -12.554 -2.638 1.00 0.00 C ATOM 290 O GLY A 24 -1.692 -13.291 -2.491 1.00 0.00 O ATOM 0 H GLY A 24 -2.672 -10.810 -1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.515 -10.692 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.290 -10.578 -1.938 1.00 0.00 H new ATOM 294 N GLU A 25 0.527 -13.010 -2.739 1.00 0.00 N ATOM 295 CA GLU A 25 0.824 -14.437 -2.684 1.00 0.00 C ATOM 296 C GLU A 25 2.125 -14.693 -1.928 1.00 0.00 C ATOM 297 O GLU A 25 3.188 -14.218 -2.323 1.00 0.00 O ATOM 298 CB GLU A 25 0.921 -15.016 -4.098 1.00 0.00 C ATOM 299 CG GLU A 25 -0.415 -15.471 -4.661 1.00 0.00 C ATOM 300 CD GLU A 25 -0.478 -15.360 -6.172 1.00 0.00 C ATOM 301 OE1 GLU A 25 -0.248 -14.249 -6.695 1.00 0.00 O ATOM 302 OE2 GLU A 25 -0.758 -16.382 -6.831 1.00 0.00 O ATOM 0 H GLU A 25 1.345 -12.413 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 25 0.011 -14.931 -2.152 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.348 -14.264 -4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.609 -15.861 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.595 -16.505 -4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.213 -14.872 -4.223 1.00 0.00 H new ATOM 309 N ALA A 26 2.029 -15.445 -0.836 1.00 0.00 N ATOM 310 CA ALA A 26 3.196 -15.765 -0.025 1.00 0.00 C ATOM 311 C ALA A 26 4.331 -16.309 -0.886 1.00 0.00 C ATOM 312 O ALA A 26 4.156 -17.278 -1.623 1.00 0.00 O ATOM 313 CB ALA A 26 2.827 -16.768 1.058 1.00 0.00 C ATOM 0 H ALA A 26 1.155 -15.844 -0.493 1.00 0.00 H new ATOM 0 HA ALA A 26 3.542 -14.846 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.708 -16.998 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.054 -16.344 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.454 -17.682 0.596 1.00 0.00 H new ATOM 319 N GLY A 27 5.497 -15.677 -0.789 1.00 0.00 N ATOM 320 CA GLY A 27 6.644 -16.111 -1.566 1.00 0.00 C ATOM 321 C GLY A 27 6.835 -15.290 -2.825 1.00 0.00 C ATOM 322 O GLY A 27 7.958 -15.123 -3.303 1.00 0.00 O ATOM 0 H GLY A 27 5.668 -14.872 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.542 -16.043 -0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.521 -17.160 -1.835 1.00 0.00 H new ATOM 326 N VAL A 28 5.735 -14.778 -3.368 1.00 0.00 N ATOM 327 CA VAL A 28 5.787 -13.970 -4.582 1.00 0.00 C ATOM 328 C VAL A 28 5.825 -12.483 -4.250 1.00 0.00 C ATOM 329 O VAL A 28 5.085 -11.992 -3.396 1.00 0.00 O ATOM 330 CB VAL A 28 4.578 -14.251 -5.494 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.657 -13.409 -6.758 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.500 -15.732 -5.833 1.00 0.00 C ATOM 0 H VAL A 28 4.798 -14.908 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 28 6.701 -14.245 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 28 3.669 -13.976 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.795 -13.620 -7.391 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.661 -12.352 -6.491 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.572 -13.650 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.640 -15.913 -6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.411 -16.036 -6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.393 -16.310 -4.915 1.00 0.00 H new ATOM 342 N PRO A 29 6.707 -11.745 -4.941 1.00 0.00 N ATOM 343 CA PRO A 29 6.862 -10.302 -4.739 1.00 0.00 C ATOM 344 C PRO A 29 5.659 -9.512 -5.243 1.00 0.00 C ATOM 345 O PRO A 29 5.358 -9.516 -6.436 1.00 0.00 O ATOM 346 CB PRO A 29 8.108 -9.961 -5.560 1.00 0.00 C ATOM 347 CG PRO A 29 8.171 -11.017 -6.608 1.00 0.00 C ATOM 348 CD PRO A 29 7.620 -12.263 -5.974 1.00 0.00 C ATOM 0 HA PRO A 29 6.947 -10.046 -3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.031 -8.968 -6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.004 -9.965 -4.940 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.587 -10.733 -7.483 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.196 -11.171 -6.945 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.095 -12.884 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.410 -12.877 -5.541 1.00 0.00 H new ATOM 356 N ALA A 30 4.974 -8.837 -4.327 1.00 0.00 N ATOM 357 CA ALA A 30 3.804 -8.041 -4.679 1.00 0.00 C ATOM 358 C ALA A 30 4.133 -6.552 -4.677 1.00 0.00 C ATOM 359 O ALA A 30 4.199 -5.924 -3.620 1.00 0.00 O ATOM 360 CB ALA A 30 2.659 -8.332 -3.721 1.00 0.00 C ATOM 0 H ALA A 30 5.209 -8.825 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 30 3.497 -8.318 -5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.793 -7.731 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.399 -9.389 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.964 -8.085 -2.704 1.00 0.00 H new ATOM 366 N GLU A 31 4.339 -5.994 -5.865 1.00 0.00 N ATOM 367 CA GLU A 31 4.662 -4.579 -5.998 1.00 0.00 C ATOM 368 C GLU A 31 3.525 -3.822 -6.679 1.00 0.00 C ATOM 369 O GLU A 31 2.896 -4.328 -7.607 1.00 0.00 O ATOM 370 CB GLU A 31 5.956 -4.400 -6.796 1.00 0.00 C ATOM 371 CG GLU A 31 6.011 -5.238 -8.063 1.00 0.00 C ATOM 372 CD GLU A 31 7.336 -5.112 -8.789 1.00 0.00 C ATOM 373 OE1 GLU A 31 8.092 -4.167 -8.482 1.00 0.00 O ATOM 374 OE2 GLU A 31 7.615 -5.956 -9.665 1.00 0.00 O ATOM 0 H GLU A 31 4.288 -6.500 -6.749 1.00 0.00 H new ATOM 0 HA GLU A 31 4.800 -4.170 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.067 -3.349 -7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.803 -4.660 -6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.838 -6.284 -7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.205 -4.934 -8.731 1.00 0.00 H new ATOM 381 N PHE A 32 3.266 -2.606 -6.208 1.00 0.00 N ATOM 382 CA PHE A 32 2.203 -1.779 -6.768 1.00 0.00 C ATOM 383 C PHE A 32 2.712 -0.374 -7.076 1.00 0.00 C ATOM 384 O PHE A 32 3.874 -0.055 -6.825 1.00 0.00 O ATOM 385 CB PHE A 32 1.021 -1.705 -5.800 1.00 0.00 C ATOM 386 CG PHE A 32 1.432 -1.562 -4.362 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.676 -0.311 -3.820 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.574 -2.678 -3.554 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.054 -0.175 -2.497 1.00 0.00 C ATOM 390 CE2 PHE A 32 1.952 -2.548 -2.231 1.00 0.00 C ATOM 391 CZ PHE A 32 2.193 -1.295 -1.702 1.00 0.00 C ATOM 0 H PHE A 32 3.778 -2.172 -5.440 1.00 0.00 H new ATOM 0 HA PHE A 32 1.872 -2.239 -7.699 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.389 -0.860 -6.075 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.416 -2.605 -5.909 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.570 0.568 -4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.387 -3.660 -3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.240 0.806 -2.086 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.059 -3.426 -1.611 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.490 -1.192 -0.669 1.00 0.00 H new ATOM 401 N SER A 33 1.834 0.461 -7.621 1.00 0.00 N ATOM 402 CA SER A 33 2.194 1.830 -7.969 1.00 0.00 C ATOM 403 C SER A 33 1.297 2.828 -7.242 1.00 0.00 C ATOM 404 O SER A 33 0.085 2.634 -7.146 1.00 0.00 O ATOM 405 CB SER A 33 2.090 2.040 -9.480 1.00 0.00 C ATOM 406 OG SER A 33 0.822 1.634 -9.966 1.00 0.00 O ATOM 0 H SER A 33 0.867 0.213 -7.831 1.00 0.00 H new ATOM 0 HA SER A 33 3.225 1.999 -7.657 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.254 3.091 -9.716 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.874 1.474 -9.984 1.00 0.00 H new ATOM 0 HG SER A 33 0.781 1.780 -10.934 1.00 0.00 H new ATOM 412 N ILE A 34 1.902 3.895 -6.733 1.00 0.00 N ATOM 413 CA ILE A 34 1.159 4.925 -6.016 1.00 0.00 C ATOM 414 C ILE A 34 1.083 6.213 -6.829 1.00 0.00 C ATOM 415 O ILE A 34 2.077 6.658 -7.402 1.00 0.00 O ATOM 416 CB ILE A 34 1.798 5.231 -4.648 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.872 3.960 -3.800 1.00 0.00 C ATOM 418 CG2 ILE A 34 1.008 6.312 -3.925 1.00 0.00 C ATOM 419 CD1 ILE A 34 2.695 4.121 -2.541 1.00 0.00 C ATOM 0 H ILE A 34 2.904 4.070 -6.803 1.00 0.00 H new ATOM 0 HA ILE A 34 0.153 4.537 -5.859 1.00 0.00 H new ATOM 0 HB ILE A 34 2.812 5.596 -4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.862 3.655 -3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.296 3.156 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.471 6.517 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.002 7.222 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.016 5.972 -3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.704 3.181 -1.989 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.716 4.396 -2.806 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.259 4.903 -1.919 1.00 0.00 H new ATOM 549 N LEU A 44 6.104 9.332 1.563 1.00 0.00 N ATOM 550 CA LEU A 44 5.317 8.107 1.654 1.00 0.00 C ATOM 551 C LEU A 44 6.086 7.019 2.397 1.00 0.00 C ATOM 552 O LEU A 44 7.090 6.508 1.902 1.00 0.00 O ATOM 553 CB LEU A 44 4.938 7.616 0.256 1.00 0.00 C ATOM 554 CG LEU A 44 3.719 8.281 -0.382 1.00 0.00 C ATOM 555 CD1 LEU A 44 3.642 7.947 -1.864 1.00 0.00 C ATOM 556 CD2 LEU A 44 2.444 7.851 0.330 1.00 0.00 C ATOM 0 HA LEU A 44 4.408 8.329 2.213 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.794 7.763 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.756 6.543 0.307 1.00 0.00 H new ATOM 0 HG LEU A 44 3.823 9.361 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.768 8.429 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.542 8.305 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.561 6.867 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.586 8.334 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.335 6.769 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.497 8.142 1.379 1.00 0.00 H new ATOM 568 N SER A 45 5.606 6.669 3.585 1.00 0.00 N ATOM 569 CA SER A 45 6.249 5.643 4.398 1.00 0.00 C ATOM 570 C SER A 45 5.416 4.364 4.418 1.00 0.00 C ATOM 571 O SER A 45 4.327 4.331 4.992 1.00 0.00 O ATOM 572 CB SER A 45 6.459 6.150 5.826 1.00 0.00 C ATOM 573 OG SER A 45 7.630 6.945 5.917 1.00 0.00 O ATOM 0 H SER A 45 4.774 7.081 4.007 1.00 0.00 H new ATOM 0 HA SER A 45 7.219 5.418 3.954 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.594 6.734 6.139 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.536 5.304 6.508 1.00 0.00 H new ATOM 0 HG SER A 45 7.742 7.259 6.839 1.00 0.00 H new ATOM 579 N ILE A 46 5.936 3.317 3.788 1.00 0.00 N ATOM 580 CA ILE A 46 5.241 2.036 3.734 1.00 0.00 C ATOM 581 C ILE A 46 5.731 1.098 4.831 1.00 0.00 C ATOM 582 O ILE A 46 6.934 0.970 5.060 1.00 0.00 O ATOM 583 CB ILE A 46 5.428 1.351 2.367 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.902 2.250 1.247 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.721 0.004 2.349 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.465 1.909 -0.115 1.00 0.00 C ATOM 0 H ILE A 46 6.836 3.330 3.308 1.00 0.00 H new ATOM 0 HA ILE A 46 4.182 2.245 3.885 1.00 0.00 H new ATOM 0 HB ILE A 46 6.492 1.183 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.815 2.175 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.142 3.287 1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.862 -0.468 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.138 -0.636 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.656 0.150 2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.049 2.586 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.550 2.012 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.203 0.882 -0.371 1.00 0.00 H new ATOM 598 N ALA A 47 4.793 0.444 5.506 1.00 0.00 N ATOM 599 CA ALA A 47 5.129 -0.486 6.577 1.00 0.00 C ATOM 600 C ALA A 47 4.245 -1.727 6.524 1.00 0.00 C ATOM 601 O ALA A 47 3.037 -1.651 6.747 1.00 0.00 O ATOM 602 CB ALA A 47 5.000 0.199 7.930 1.00 0.00 C ATOM 0 H ALA A 47 3.793 0.541 5.330 1.00 0.00 H new ATOM 0 HA ALA A 47 6.163 -0.803 6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.254 -0.507 8.721 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.678 1.051 7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.975 0.544 8.067 1.00 0.00 H new ATOM 608 N VAL A 48 4.855 -2.870 6.228 1.00 0.00 N ATOM 609 CA VAL A 48 4.124 -4.129 6.146 1.00 0.00 C ATOM 610 C VAL A 48 4.211 -4.902 7.458 1.00 0.00 C ATOM 611 O VAL A 48 5.255 -5.464 7.790 1.00 0.00 O ATOM 612 CB VAL A 48 4.657 -5.015 5.005 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.903 -6.336 4.957 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.556 -4.285 3.674 1.00 0.00 C ATOM 0 H VAL A 48 5.854 -2.950 6.041 1.00 0.00 H new ATOM 0 HA VAL A 48 3.083 -3.877 5.944 1.00 0.00 H new ATOM 0 HB VAL A 48 5.708 -5.232 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.294 -6.949 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.031 -6.863 5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.843 -6.144 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.937 -4.925 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.514 -4.037 3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.145 -3.369 3.716 1.00 0.00 H new ATOM 624 N GLU A 49 3.108 -4.925 8.200 1.00 0.00 N ATOM 625 CA GLU A 49 3.061 -5.629 9.476 1.00 0.00 C ATOM 626 C GLU A 49 2.028 -6.752 9.440 1.00 0.00 C ATOM 627 O GLU A 49 0.844 -6.513 9.209 1.00 0.00 O ATOM 628 CB GLU A 49 2.734 -4.655 10.609 1.00 0.00 C ATOM 629 CG GLU A 49 3.814 -3.614 10.849 1.00 0.00 C ATOM 630 CD GLU A 49 3.321 -2.440 11.671 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.611 -1.579 11.110 1.00 0.00 O ATOM 632 OE2 GLU A 49 3.645 -2.380 12.876 1.00 0.00 O ATOM 0 H GLU A 49 2.236 -4.465 7.940 1.00 0.00 H new ATOM 0 HA GLU A 49 4.042 -6.068 9.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.797 -4.148 10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.575 -5.220 11.528 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.657 -4.081 11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.183 -3.251 9.890 1.00 0.00 H new ATOM 639 N GLY A 50 2.486 -7.978 9.672 1.00 0.00 N ATOM 640 CA GLY A 50 1.590 -9.119 9.660 1.00 0.00 C ATOM 641 C GLY A 50 2.014 -10.198 10.637 1.00 0.00 C ATOM 642 O GLY A 50 2.745 -9.947 11.595 1.00 0.00 O ATOM 0 H GLY A 50 3.462 -8.201 9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.581 -8.787 9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.553 -9.538 8.654 1.00 0.00 H new ATOM 646 N PRO A 51 1.549 -11.434 10.398 1.00 0.00 N ATOM 647 CA PRO A 51 1.871 -12.580 11.254 1.00 0.00 C ATOM 648 C PRO A 51 3.331 -13.001 11.133 1.00 0.00 C ATOM 649 O PRO A 51 3.897 -13.584 12.057 1.00 0.00 O ATOM 650 CB PRO A 51 0.951 -13.684 10.727 1.00 0.00 C ATOM 651 CG PRO A 51 0.680 -13.310 9.311 1.00 0.00 C ATOM 652 CD PRO A 51 0.673 -11.806 9.275 1.00 0.00 C ATOM 0 HA PRO A 51 1.727 -12.354 12.310 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.428 -14.662 10.793 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.029 -13.740 11.305 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.445 -13.713 8.647 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.276 -13.713 8.977 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.052 -11.425 8.327 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.333 -11.406 9.400 1.00 0.00 H new ATOM 660 N SER A 52 3.936 -12.702 9.988 1.00 0.00 N ATOM 661 CA SER A 52 5.329 -13.053 9.745 1.00 0.00 C ATOM 662 C SER A 52 6.085 -11.882 9.125 1.00 0.00 C ATOM 663 O SER A 52 5.481 -10.930 8.630 1.00 0.00 O ATOM 664 CB SER A 52 5.419 -14.274 8.828 1.00 0.00 C ATOM 665 OG SER A 52 4.882 -15.426 9.458 1.00 0.00 O ATOM 0 H SER A 52 3.482 -12.217 9.214 1.00 0.00 H new ATOM 0 HA SER A 52 5.788 -13.293 10.704 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.879 -14.077 7.901 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.460 -14.455 8.559 1.00 0.00 H new ATOM 0 HG SER A 52 5.441 -16.204 9.249 1.00 0.00 H new ATOM 671 N LYS A 53 7.411 -11.959 9.155 1.00 0.00 N ATOM 672 CA LYS A 53 8.252 -10.907 8.594 1.00 0.00 C ATOM 673 C LYS A 53 8.110 -10.846 7.077 1.00 0.00 C ATOM 674 O LYS A 53 8.076 -11.876 6.406 1.00 0.00 O ATOM 675 CB LYS A 53 9.716 -11.143 8.971 1.00 0.00 C ATOM 676 CG LYS A 53 10.536 -9.866 9.055 1.00 0.00 C ATOM 677 CD LYS A 53 12.017 -10.163 9.212 1.00 0.00 C ATOM 678 CE LYS A 53 12.873 -9.006 8.718 1.00 0.00 C ATOM 679 NZ LYS A 53 12.808 -7.837 9.639 1.00 0.00 N ATOM 0 H LYS A 53 7.927 -12.739 9.562 1.00 0.00 H new ATOM 0 HA LYS A 53 7.924 -9.954 9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.757 -11.655 9.932 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.169 -11.808 8.236 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.377 -9.271 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.193 -9.267 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.240 -10.361 10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.269 -11.066 8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.908 -9.335 8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.539 -8.705 7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.404 -7.069 9.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.824 -7.507 9.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.150 -8.117 10.580 1.00 0.00 H new ATOM 693 N ALA A 54 8.026 -9.632 6.544 1.00 0.00 N ATOM 694 CA ALA A 54 7.891 -9.437 5.106 1.00 0.00 C ATOM 695 C ALA A 54 8.980 -8.512 4.572 1.00 0.00 C ATOM 696 O ALA A 54 9.268 -7.472 5.163 1.00 0.00 O ATOM 697 CB ALA A 54 6.514 -8.879 4.776 1.00 0.00 C ATOM 0 H ALA A 54 8.049 -8.769 7.086 1.00 0.00 H new ATOM 0 HA ALA A 54 8.004 -10.407 4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.427 -8.738 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.748 -9.577 5.114 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.379 -7.921 5.279 1.00 0.00 H new ATOM 703 N GLU A 55 9.582 -8.899 3.451 1.00 0.00 N ATOM 704 CA GLU A 55 10.640 -8.104 2.840 1.00 0.00 C ATOM 705 C GLU A 55 10.065 -6.868 2.154 1.00 0.00 C ATOM 706 O GLU A 55 8.934 -6.884 1.670 1.00 0.00 O ATOM 707 CB GLU A 55 11.420 -8.945 1.828 1.00 0.00 C ATOM 708 CG GLU A 55 12.603 -8.216 1.213 1.00 0.00 C ATOM 709 CD GLU A 55 13.210 -8.969 0.045 1.00 0.00 C ATOM 710 OE1 GLU A 55 12.680 -8.848 -1.078 1.00 0.00 O ATOM 711 OE2 GLU A 55 14.216 -9.680 0.256 1.00 0.00 O ATOM 0 H GLU A 55 9.355 -9.757 2.949 1.00 0.00 H new ATOM 0 HA GLU A 55 11.317 -7.778 3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.777 -9.850 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.745 -9.260 1.032 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.282 -7.230 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.366 -8.061 1.976 1.00 0.00 H new ATOM 718 N ILE A 56 10.853 -5.798 2.120 1.00 0.00 N ATOM 719 CA ILE A 56 10.422 -4.554 1.495 1.00 0.00 C ATOM 720 C ILE A 56 11.579 -3.876 0.767 1.00 0.00 C ATOM 721 O ILE A 56 12.656 -3.683 1.332 1.00 0.00 O ATOM 722 CB ILE A 56 9.838 -3.575 2.530 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.715 -4.248 3.322 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.329 -2.317 1.843 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.360 -3.522 4.602 1.00 0.00 C ATOM 0 H ILE A 56 11.792 -5.768 2.517 1.00 0.00 H new ATOM 0 HA ILE A 56 9.645 -4.815 0.776 1.00 0.00 H new ATOM 0 HB ILE A 56 10.628 -3.290 3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.827 -4.315 2.693 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.012 -5.269 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.919 -1.636 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.152 -1.830 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.550 -2.583 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.557 -4.055 5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.235 -3.478 5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.032 -2.510 4.367 1.00 0.00 H new ATOM 737 N THR A 57 11.349 -3.514 -0.491 1.00 0.00 N ATOM 738 CA THR A 57 12.370 -2.857 -1.297 1.00 0.00 C ATOM 739 C THR A 57 11.842 -1.562 -1.905 1.00 0.00 C ATOM 740 O THR A 57 11.036 -1.585 -2.835 1.00 0.00 O ATOM 741 CB THR A 57 12.871 -3.775 -2.426 1.00 0.00 C ATOM 742 OG1 THR A 57 13.348 -5.009 -1.880 1.00 0.00 O ATOM 743 CG2 THR A 57 13.983 -3.102 -3.218 1.00 0.00 C ATOM 0 H THR A 57 10.463 -3.665 -0.974 1.00 0.00 H new ATOM 0 HA THR A 57 13.201 -2.629 -0.630 1.00 0.00 H new ATOM 0 HB THR A 57 12.037 -3.974 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.663 -5.588 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.321 -3.770 -4.010 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.608 -2.178 -3.658 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.817 -2.876 -2.554 1.00 0.00 H new ATOM 884 N VAL A 68 7.528 0.034 -5.481 1.00 0.00 N ATOM 885 CA VAL A 68 7.687 -0.662 -4.209 1.00 0.00 C ATOM 886 C VAL A 68 7.341 -2.140 -4.345 1.00 0.00 C ATOM 887 O VAL A 68 6.379 -2.505 -5.022 1.00 0.00 O ATOM 888 CB VAL A 68 6.801 -0.039 -3.114 1.00 0.00 C ATOM 889 CG1 VAL A 68 7.009 -0.754 -1.787 1.00 0.00 C ATOM 890 CG2 VAL A 68 7.089 1.449 -2.978 1.00 0.00 C ATOM 0 HA VAL A 68 8.734 -0.561 -3.922 1.00 0.00 H new ATOM 0 HB VAL A 68 5.757 -0.159 -3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.375 -0.300 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.748 -1.807 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.053 -0.668 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.454 1.873 -2.200 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.136 1.594 -2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.884 1.947 -3.925 1.00 0.00 H new ATOM 900 N SER A 69 8.133 -2.990 -3.697 1.00 0.00 N ATOM 901 CA SER A 69 7.913 -4.430 -3.748 1.00 0.00 C ATOM 902 C SER A 69 8.037 -5.048 -2.359 1.00 0.00 C ATOM 903 O SER A 69 8.762 -4.541 -1.503 1.00 0.00 O ATOM 904 CB SER A 69 8.914 -5.086 -4.702 1.00 0.00 C ATOM 905 OG SER A 69 10.235 -4.998 -4.194 1.00 0.00 O ATOM 0 H SER A 69 8.932 -2.705 -3.131 1.00 0.00 H new ATOM 0 HA SER A 69 6.902 -4.606 -4.116 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.647 -6.132 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.863 -4.602 -5.677 1.00 0.00 H new ATOM 0 HG SER A 69 10.856 -5.426 -4.820 1.00 0.00 H new ATOM 911 N TYR A 70 7.324 -6.148 -2.142 1.00 0.00 N ATOM 912 CA TYR A 70 7.350 -6.835 -0.857 1.00 0.00 C ATOM 913 C TYR A 70 6.993 -8.310 -1.020 1.00 0.00 C ATOM 914 O TYR A 70 6.148 -8.667 -1.841 1.00 0.00 O ATOM 915 CB TYR A 70 6.381 -6.169 0.122 1.00 0.00 C ATOM 916 CG TYR A 70 4.936 -6.553 -0.102 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.424 -7.738 0.412 1.00 0.00 C ATOM 918 CD2 TYR A 70 4.083 -5.731 -0.828 1.00 0.00 C ATOM 919 CE1 TYR A 70 3.105 -8.093 0.210 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.761 -6.077 -1.034 1.00 0.00 C ATOM 921 CZ TYR A 70 2.277 -7.258 -0.513 1.00 0.00 C ATOM 922 OH TYR A 70 0.962 -7.607 -0.717 1.00 0.00 O ATOM 0 H TYR A 70 6.721 -6.583 -2.840 1.00 0.00 H new ATOM 0 HA TYR A 70 8.362 -6.767 -0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.666 -6.435 1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.478 -5.087 0.037 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.069 -8.393 0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.460 -4.806 -1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.723 -9.018 0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.111 -5.426 -1.600 1.00 0.00 H new ATOM 0 HH TYR A 70 0.517 -6.911 -1.244 1.00 0.00 H new ATOM 932 N ILE A 71 7.641 -9.159 -0.230 1.00 0.00 N ATOM 933 CA ILE A 71 7.391 -10.594 -0.284 1.00 0.00 C ATOM 934 C ILE A 71 7.029 -11.142 1.092 1.00 0.00 C ATOM 935 O ILE A 71 7.559 -10.693 2.109 1.00 0.00 O ATOM 936 CB ILE A 71 8.614 -11.359 -0.823 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.799 -11.080 -2.316 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.459 -12.851 -0.572 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.137 -11.536 -2.855 1.00 0.00 C ATOM 0 H ILE A 71 8.343 -8.878 0.455 1.00 0.00 H new ATOM 0 HA ILE A 71 6.552 -10.742 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 71 9.503 -11.013 -0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.004 -11.578 -2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.690 -10.010 -2.494 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.331 -13.378 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.371 -13.033 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.563 -13.214 -1.076 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.198 -11.306 -3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.938 -11.020 -2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.241 -12.611 -2.709 1.00 0.00 H new ATOM 951 N ALA A 72 6.125 -12.116 1.118 1.00 0.00 N ATOM 952 CA ALA A 72 5.696 -12.728 2.369 1.00 0.00 C ATOM 953 C ALA A 72 6.000 -14.222 2.381 1.00 0.00 C ATOM 954 O ALA A 72 5.269 -15.018 1.793 1.00 0.00 O ATOM 955 CB ALA A 72 4.210 -12.489 2.591 1.00 0.00 C ATOM 0 H ALA A 72 5.675 -12.498 0.286 1.00 0.00 H new ATOM 0 HA ALA A 72 6.253 -12.263 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.903 -12.952 3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.016 -11.417 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.644 -12.927 1.769 1.00 0.00 H new ATOM 961 N GLN A 73 7.084 -14.594 3.053 1.00 0.00 N ATOM 962 CA GLN A 73 7.485 -15.994 3.142 1.00 0.00 C ATOM 963 C GLN A 73 6.311 -16.871 3.562 1.00 0.00 C ATOM 964 O GLN A 73 6.136 -17.977 3.050 1.00 0.00 O ATOM 965 CB GLN A 73 8.639 -16.154 4.134 1.00 0.00 C ATOM 966 CG GLN A 73 9.861 -15.321 3.786 1.00 0.00 C ATOM 967 CD GLN A 73 10.305 -15.507 2.348 1.00 0.00 C ATOM 968 OE1 GLN A 73 10.346 -16.628 1.839 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.641 -14.407 1.685 1.00 0.00 N ATOM 0 H GLN A 73 7.701 -13.946 3.544 1.00 0.00 H new ATOM 0 HA GLN A 73 7.818 -16.314 2.155 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.292 -15.877 5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.926 -17.205 4.178 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.640 -14.268 3.960 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.681 -15.589 4.453 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.592 -13.499 2.146 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.948 -14.470 0.714 1.00 0.00 H new ATOM 978 N GLU A 74 5.510 -16.371 4.498 1.00 0.00 N ATOM 979 CA GLU A 74 4.353 -17.111 4.987 1.00 0.00 C ATOM 980 C GLU A 74 3.057 -16.379 4.651 1.00 0.00 C ATOM 981 O GLU A 74 2.985 -15.151 4.672 1.00 0.00 O ATOM 982 CB GLU A 74 4.456 -17.321 6.498 1.00 0.00 C ATOM 983 CG GLU A 74 5.707 -18.070 6.926 1.00 0.00 C ATOM 984 CD GLU A 74 5.616 -19.559 6.658 1.00 0.00 C ATOM 985 OE1 GLU A 74 4.496 -20.107 6.731 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.664 -20.178 6.375 1.00 0.00 O ATOM 0 H GLU A 74 5.641 -15.457 4.932 1.00 0.00 H new ATOM 0 HA GLU A 74 4.340 -18.082 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.437 -16.350 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.579 -17.870 6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.569 -17.662 6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.878 -17.906 7.990 1.00 0.00 H new ATOM 993 N PRO A 75 2.007 -17.151 4.333 1.00 0.00 N ATOM 994 CA PRO A 75 0.694 -16.599 3.987 1.00 0.00 C ATOM 995 C PRO A 75 -0.006 -15.972 5.187 1.00 0.00 C ATOM 996 O PRO A 75 0.299 -16.295 6.334 1.00 0.00 O ATOM 997 CB PRO A 75 -0.085 -17.819 3.491 1.00 0.00 C ATOM 998 CG PRO A 75 0.566 -18.981 4.160 1.00 0.00 C ATOM 999 CD PRO A 75 2.020 -18.623 4.288 1.00 0.00 C ATOM 0 HA PRO A 75 0.770 -15.798 3.252 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.140 -17.750 3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -0.034 -17.907 2.406 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.122 -19.167 5.138 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.438 -19.891 3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.461 -19.049 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.601 -18.994 3.444 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.946 -15.072 4.915 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.676 -14.414 5.983 1.00 0.00 C ATOM 1009 C GLY A 76 -2.151 -13.029 5.594 1.00 0.00 C ATOM 1010 O GLY A 76 -1.879 -12.560 4.490 1.00 0.00 O ATOM 0 H GLY A 76 -1.215 -14.787 3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.535 -15.024 6.261 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.038 -14.342 6.864 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.864 -12.372 6.503 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.380 -11.032 6.247 1.00 0.00 C ATOM 1016 C ASN A 77 -2.365 -9.970 6.661 1.00 0.00 C ATOM 1017 O ASN A 77 -2.240 -9.642 7.841 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.695 -10.817 7.000 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.498 -10.764 8.503 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.724 -11.538 9.067 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -5.201 -9.848 9.159 1.00 0.00 N ATOM 0 H ASN A 77 -3.098 -12.745 7.423 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.562 -10.938 5.176 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.156 -9.888 6.664 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.387 -11.623 6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.111 -9.765 10.172 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.831 -9.227 8.650 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.644 -9.437 5.681 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.639 -8.413 5.943 1.00 0.00 C ATOM 1030 C TYR A 78 -1.248 -7.017 5.861 1.00 0.00 C ATOM 1031 O TYR A 78 -1.881 -6.662 4.866 1.00 0.00 O ATOM 1032 CB TYR A 78 0.517 -8.538 4.948 1.00 0.00 C ATOM 1033 CG TYR A 78 1.425 -9.715 5.218 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.039 -11.007 4.886 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.672 -9.535 5.805 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.865 -12.085 5.132 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.506 -10.607 6.054 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.098 -11.880 5.716 1.00 0.00 C ATOM 1039 OH TYR A 78 3.926 -12.953 5.962 1.00 0.00 O ATOM 0 H TYR A 78 -1.736 -9.696 4.699 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.258 -8.563 6.953 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.110 -8.628 3.941 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.107 -7.622 4.973 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.075 -11.171 4.427 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.994 -8.539 6.071 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.548 -13.083 4.869 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.472 -10.449 6.511 1.00 0.00 H new ATOM 0 HH TYR A 78 3.565 -13.752 5.524 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.052 -6.229 6.913 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.582 -4.872 6.960 1.00 0.00 C ATOM 1051 C GLU A 79 -0.489 -3.850 6.664 1.00 0.00 C ATOM 1052 O GLU A 79 0.421 -3.645 7.469 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.201 -4.590 8.331 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.341 -3.586 8.290 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.728 -3.086 9.668 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.819 -2.725 10.445 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.940 -3.055 9.969 1.00 0.00 O ATOM 0 H GLU A 79 -0.530 -6.507 7.744 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.354 -4.784 6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.567 -5.525 8.754 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.425 -4.219 9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.052 -2.739 7.668 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.209 -4.046 7.818 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.583 -3.211 5.502 1.00 0.00 N ATOM 1065 CA VAL A 80 0.397 -2.210 5.098 1.00 0.00 C ATOM 1066 C VAL A 80 -0.018 -0.817 5.559 1.00 0.00 C ATOM 1067 O VAL A 80 -0.958 -0.230 5.024 1.00 0.00 O ATOM 1068 CB VAL A 80 0.589 -2.197 3.570 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.728 -1.267 3.182 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.841 -3.605 3.053 1.00 0.00 C ATOM 0 H VAL A 80 -1.328 -3.369 4.824 1.00 0.00 H new ATOM 0 HA VAL A 80 1.340 -2.481 5.573 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.326 -1.823 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.848 -1.271 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.502 -0.255 3.518 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.651 -1.607 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.974 -3.577 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.740 -4.008 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.011 -4.240 3.297 1.00 0.00 H new ATOM 1080 N SER A 81 0.689 -0.295 6.556 1.00 0.00 N ATOM 1081 CA SER A 81 0.392 1.029 7.091 1.00 0.00 C ATOM 1082 C SER A 81 1.116 2.112 6.297 1.00 0.00 C ATOM 1083 O SER A 81 2.346 2.165 6.280 1.00 0.00 O ATOM 1084 CB SER A 81 0.794 1.106 8.566 1.00 0.00 C ATOM 1085 OG SER A 81 0.521 2.390 9.101 1.00 0.00 O ATOM 0 H SER A 81 1.471 -0.768 7.009 1.00 0.00 H new ATOM 0 HA SER A 81 -0.681 1.197 7.004 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.253 0.349 9.134 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.856 0.883 8.669 1.00 0.00 H new ATOM 0 HG SER A 81 0.785 2.414 10.045 1.00 0.00 H new ATOM 1091 N ILE A 82 0.345 2.972 5.641 1.00 0.00 N ATOM 1092 CA ILE A 82 0.912 4.053 4.846 1.00 0.00 C ATOM 1093 C ILE A 82 0.631 5.409 5.485 1.00 0.00 C ATOM 1094 O ILE A 82 -0.507 5.719 5.838 1.00 0.00 O ATOM 1095 CB ILE A 82 0.354 4.049 3.411 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.646 2.709 2.731 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.949 5.196 2.609 1.00 0.00 C ATOM 1098 CD1 ILE A 82 -0.093 2.521 1.425 1.00 0.00 C ATOM 0 H ILE A 82 -0.675 2.941 5.645 1.00 0.00 H new ATOM 0 HA ILE A 82 1.989 3.887 4.808 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.727 4.185 3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.718 2.630 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.378 1.900 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.545 5.180 1.597 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.696 6.143 3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.033 5.088 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.162 1.550 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.167 2.568 1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.193 3.309 0.728 1.00 0.00 H new ATOM 1110 N LYS A 83 1.676 6.217 5.627 1.00 0.00 N ATOM 1111 CA LYS A 83 1.543 7.544 6.220 1.00 0.00 C ATOM 1112 C LYS A 83 2.162 8.607 5.318 1.00 0.00 C ATOM 1113 O LYS A 83 3.368 8.599 5.068 1.00 0.00 O ATOM 1114 CB LYS A 83 2.209 7.578 7.597 1.00 0.00 C ATOM 1115 CG LYS A 83 1.306 7.103 8.722 1.00 0.00 C ATOM 1116 CD LYS A 83 1.652 7.779 10.038 1.00 0.00 C ATOM 1117 CE LYS A 83 2.700 6.993 10.809 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.095 5.884 11.598 1.00 0.00 N ATOM 0 H LYS A 83 2.625 5.977 5.340 1.00 0.00 H new ATOM 0 HA LYS A 83 0.481 7.761 6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.104 6.956 7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.534 8.597 7.809 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.267 7.310 8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.398 6.022 8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.020 8.787 9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.752 7.879 10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.433 6.585 10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.237 7.664 11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.260 6.049 12.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.072 5.846 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.530 4.982 11.319 1.00 0.00 H new ATOM 1132 N PHE A 84 1.329 9.521 4.833 1.00 0.00 N ATOM 1133 CA PHE A 84 1.795 10.592 3.958 1.00 0.00 C ATOM 1134 C PHE A 84 2.094 11.856 4.759 1.00 0.00 C ATOM 1135 O PHE A 84 1.277 12.303 5.561 1.00 0.00 O ATOM 1136 CB PHE A 84 0.749 10.892 2.883 1.00 0.00 C ATOM 1137 CG PHE A 84 1.192 11.926 1.886 1.00 0.00 C ATOM 1138 CD1 PHE A 84 2.313 11.711 1.099 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.489 13.109 1.738 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.723 12.661 0.182 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.895 14.063 0.823 1.00 0.00 C ATOM 1142 CZ PHE A 84 2.012 13.837 0.043 1.00 0.00 C ATOM 0 H PHE A 84 0.328 9.542 5.030 1.00 0.00 H new ATOM 0 HA PHE A 84 2.715 10.261 3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.508 9.970 2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.168 11.233 3.364 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.871 10.792 1.203 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.387 13.289 2.344 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.598 12.484 -0.425 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.339 14.983 0.719 1.00 0.00 H new ATOM 0 HZ PHE A 84 2.329 14.579 -0.675 1.00 0.00 H new ATOM 1152 N ASN A 85 3.274 12.426 4.534 1.00 0.00 N ATOM 1153 CA ASN A 85 3.683 13.638 5.234 1.00 0.00 C ATOM 1154 C ASN A 85 3.376 13.534 6.725 1.00 0.00 C ATOM 1155 O ASN A 85 3.054 14.530 7.374 1.00 0.00 O ATOM 1156 CB ASN A 85 2.977 14.858 4.640 1.00 0.00 C ATOM 1157 CG ASN A 85 1.480 14.833 4.878 1.00 0.00 C ATOM 1158 OD1 ASN A 85 1.022 14.704 6.014 1.00 0.00 O ATOM 1159 ND2 ASN A 85 0.708 14.954 3.804 1.00 0.00 N ATOM 0 H ASN A 85 3.963 12.068 3.873 1.00 0.00 H new ATOM 0 HA ASN A 85 4.760 13.754 5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.396 15.765 5.076 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.171 14.900 3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.307 14.942 3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.130 15.059 2.882 1.00 0.00 H new ATOM 1166 N ASP A 86 3.479 12.323 7.262 1.00 0.00 N ATOM 1167 CA ASP A 86 3.215 12.090 8.677 1.00 0.00 C ATOM 1168 C ASP A 86 1.719 12.169 8.970 1.00 0.00 C ATOM 1169 O ASP A 86 1.303 12.774 9.958 1.00 0.00 O ATOM 1170 CB ASP A 86 3.970 13.106 9.534 1.00 0.00 C ATOM 1171 CG ASP A 86 4.211 12.609 10.945 1.00 0.00 C ATOM 1172 OD1 ASP A 86 3.296 11.980 11.518 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.315 12.847 11.477 1.00 0.00 O ATOM 0 H ASP A 86 3.743 11.488 6.739 1.00 0.00 H new ATOM 0 HA ASP A 86 3.564 11.088 8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.927 13.334 9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.404 14.037 9.572 1.00 0.00 H new ATOM 1178 N GLU A 87 0.918 11.555 8.105 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.531 11.559 8.272 1.00 0.00 C ATOM 1180 C GLU A 87 -1.136 10.239 7.799 1.00 0.00 C ATOM 1181 O GLU A 87 -0.694 9.661 6.806 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.152 12.723 7.500 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.236 14.010 8.303 1.00 0.00 C ATOM 1184 CD GLU A 87 -2.130 15.048 7.650 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -2.978 14.661 6.821 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.979 16.245 7.969 1.00 0.00 O ATOM 0 H GLU A 87 1.247 11.049 7.283 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.749 11.680 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.566 12.904 6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.154 12.440 7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.613 13.787 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.235 14.423 8.426 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.150 9.769 8.519 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.816 8.518 8.173 1.00 0.00 C ATOM 1195 C HIS A 88 -3.964 8.765 7.199 1.00 0.00 C ATOM 1196 O HIS A 88 -5.070 9.126 7.606 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.341 7.830 9.434 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.393 6.820 10.004 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.404 5.490 9.641 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.400 6.953 10.915 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.460 4.848 10.305 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.837 5.713 11.084 1.00 0.00 N ATOM 0 H HIS A 88 -2.528 10.235 9.344 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.086 7.868 7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.551 8.587 10.190 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.286 7.339 9.203 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -3.041 5.068 8.966 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.106 7.864 11.415 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.236 3.795 10.224 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.695 8.571 5.913 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.705 8.772 4.882 1.00 0.00 C ATOM 1212 C ILE A 89 -5.958 7.953 5.173 1.00 0.00 C ATOM 1213 O ILE A 89 -5.921 6.946 5.881 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.171 8.394 3.488 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.376 7.088 3.559 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.307 9.516 2.930 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.006 6.531 2.202 1.00 0.00 C ATOM 0 H ILE A 89 -2.785 8.275 5.560 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.956 9.833 4.890 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.018 8.246 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.465 7.257 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.961 6.345 4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.937 9.234 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -3.901 10.426 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.464 9.692 3.598 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.444 5.606 2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.913 6.330 1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.394 7.256 1.666 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.095 8.392 4.613 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.381 7.713 4.796 1.00 0.00 C ATOM 1231 C PRO A 90 -8.433 6.368 4.080 1.00 0.00 C ATOM 1232 O PRO A 90 -9.469 5.704 4.061 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.387 8.687 4.177 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.598 9.468 3.186 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.212 9.585 3.757 1.00 0.00 C ATOM 0 HA PRO A 90 -8.576 7.485 5.844 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.209 8.155 3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.826 9.337 4.934 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.580 8.966 2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.038 10.452 3.026 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.454 9.594 2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.089 10.504 4.330 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.308 5.971 3.491 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.228 4.705 2.774 1.00 0.00 C ATOM 1245 C GLU A 91 -6.277 3.741 3.478 1.00 0.00 C ATOM 1246 O GLU A 91 -6.258 2.545 3.183 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.763 4.936 1.335 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.755 5.724 0.496 1.00 0.00 C ATOM 1249 CD GLU A 91 -7.593 7.223 0.654 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -6.537 7.655 1.162 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -8.522 7.964 0.271 1.00 0.00 O ATOM 0 H GLU A 91 -6.441 6.508 3.497 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.224 4.262 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.811 5.466 1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.584 3.971 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.629 5.458 -0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.769 5.440 0.778 1.00 0.00 H new ATOM 1258 N SER A 92 -5.489 4.269 4.409 1.00 0.00 N ATOM 1259 CA SER A 92 -4.532 3.457 5.151 1.00 0.00 C ATOM 1260 C SER A 92 -4.929 3.359 6.622 1.00 0.00 C ATOM 1261 O SER A 92 -5.631 4.215 7.160 1.00 0.00 O ATOM 1262 CB SER A 92 -3.127 4.049 5.030 1.00 0.00 C ATOM 1263 OG SER A 92 -2.856 4.944 6.095 1.00 0.00 O ATOM 0 H SER A 92 -5.494 5.256 4.667 1.00 0.00 H new ATOM 0 HA SER A 92 -4.535 2.454 4.723 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.390 3.246 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.030 4.572 4.078 1.00 0.00 H new ATOM 0 HG SER A 92 -1.887 5.032 6.210 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.470 2.289 7.287 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.634 1.263 6.656 1.00 0.00 C ATOM 1271 C PRO A 93 -4.410 0.424 5.646 1.00 0.00 C ATOM 1272 O PRO A 93 -5.626 0.563 5.513 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.183 0.398 7.835 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.240 0.586 8.869 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.731 1.998 8.706 1.00 0.00 C ATOM 0 HA PRO A 93 -2.811 1.699 6.091 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.093 -0.649 7.546 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.207 0.711 8.205 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.052 -0.128 8.731 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.840 0.425 9.870 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.791 2.085 8.946 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.198 2.687 9.362 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.699 -0.446 4.938 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.321 -1.307 3.939 1.00 0.00 C ATOM 1285 C TYR A 94 -4.252 -2.771 4.360 1.00 0.00 C ATOM 1286 O TYR A 94 -3.330 -3.183 5.066 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.638 -1.124 2.581 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.848 0.247 1.979 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.243 1.370 2.531 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.649 0.420 0.857 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.431 2.624 1.983 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.842 1.670 0.302 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.232 2.770 0.870 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.421 4.017 0.322 1.00 0.00 O ATOM 0 H TYR A 94 -2.692 -0.574 5.037 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.369 -1.021 3.854 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.569 -1.302 2.694 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.015 -1.877 1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.615 1.260 3.403 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.129 -0.438 0.411 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.953 3.486 2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.467 1.786 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.802 3.925 -0.576 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.234 -3.553 3.925 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.287 -4.973 4.257 1.00 0.00 C ATOM 1306 C LEU A 95 -5.254 -5.827 2.995 1.00 0.00 C ATOM 1307 O LEU A 95 -6.188 -5.807 2.193 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.550 -5.282 5.063 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.581 -6.638 5.768 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.483 -6.718 6.818 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.944 -6.880 6.399 1.00 0.00 C ATOM 0 H LEU A 95 -6.005 -3.228 3.341 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.411 -5.213 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.678 -4.502 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.408 -5.224 4.393 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.404 -7.417 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.520 -7.690 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.512 -6.590 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.629 -5.931 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.948 -7.850 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.151 -6.097 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.711 -6.866 5.625 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.173 -6.581 2.824 1.00 0.00 N ATOM 1324 CA VAL A 96 -4.019 -7.447 1.661 1.00 0.00 C ATOM 1325 C VAL A 96 -3.892 -8.909 2.077 1.00 0.00 C ATOM 1326 O VAL A 96 -2.893 -9.329 2.660 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.784 -7.053 0.827 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.901 -7.596 -0.588 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.611 -5.542 0.815 1.00 0.00 C ATOM 0 H VAL A 96 -3.390 -6.610 3.477 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.915 -7.322 1.052 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.899 -7.493 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.020 -7.308 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.974 -8.683 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.793 -7.187 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.735 -5.281 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.496 -5.078 0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.479 -5.183 1.836 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.929 -9.702 1.770 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.957 -11.130 2.101 1.00 0.00 C ATOM 1341 C PRO A 97 -3.966 -11.938 1.271 1.00 0.00 C ATOM 1342 O PRO A 97 -4.193 -12.192 0.088 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.393 -11.543 1.770 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.842 -10.562 0.743 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.152 -9.268 1.075 1.00 0.00 C ATOM 0 HA PRO A 97 -4.674 -11.313 3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.433 -12.563 1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.029 -11.509 2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.578 -10.899 -0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.925 -10.443 0.765 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.922 -8.694 0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.771 -8.634 1.709 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.865 -12.340 1.897 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.839 -13.121 1.216 1.00 0.00 C ATOM 1355 C VAL A 98 -2.049 -14.614 1.436 1.00 0.00 C ATOM 1356 O VAL A 98 -2.240 -15.065 2.567 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.427 -12.735 1.698 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.625 -13.576 0.992 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.176 -11.252 1.475 1.00 0.00 C ATOM 0 H VAL A 98 -2.660 -12.138 2.876 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.925 -12.898 0.153 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.358 -12.934 2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.616 -13.290 1.344 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.453 -14.630 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.561 -13.411 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.826 -10.996 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.262 -11.024 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.911 -10.671 2.031 1.00 0.00 H new ATOM 1369 N ILE A 99 -2.012 -15.378 0.349 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.197 -16.822 0.424 1.00 0.00 C ATOM 1371 C ILE A 99 -1.019 -17.560 -0.203 1.00 0.00 C ATOM 1372 O ILE A 99 -0.324 -17.022 -1.064 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.495 -17.261 -0.277 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.465 -16.855 -1.752 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.705 -16.656 0.420 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.298 -17.751 -2.643 1.00 0.00 C ATOM 0 H ILE A 99 -1.856 -15.021 -0.594 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.262 -17.077 1.482 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.573 -18.347 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.823 -15.830 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.433 -16.866 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.615 -16.976 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.732 -16.990 1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.636 -15.569 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.230 -17.404 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.927 -18.774 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.338 -17.721 -2.318 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.802 -18.796 0.234 1.00 0.00 N ATOM 1389 CA ALA A 100 0.290 -19.610 -0.288 1.00 0.00 C ATOM 1390 C ALA A 100 -0.087 -20.241 -1.623 1.00 0.00 C ATOM 1391 O ALA A 100 -1.003 -21.060 -1.716 1.00 0.00 O ATOM 1392 CB ALA A 100 0.672 -20.686 0.717 1.00 0.00 C ATOM 0 H ALA A 100 -1.367 -19.256 0.948 1.00 0.00 H new ATOM 0 HA ALA A 100 1.149 -18.960 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.488 -21.286 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.991 -20.217 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.189 -21.326 0.909 1.00 0.00 H new ATOM 1398 N PRO A 101 0.635 -19.855 -2.686 1.00 0.00 N ATOM 1399 CA PRO A 101 0.395 -20.371 -4.037 1.00 0.00 C ATOM 1400 C PRO A 101 0.793 -21.836 -4.177 1.00 0.00 C ATOM 1401 O PRO A 101 1.934 -22.207 -3.903 1.00 0.00 O ATOM 1402 CB PRO A 101 1.284 -19.488 -4.917 1.00 0.00 C ATOM 1403 CG PRO A 101 2.369 -19.019 -4.010 1.00 0.00 C ATOM 1404 CD PRO A 101 1.741 -18.884 -2.650 1.00 0.00 C ATOM 0 HA PRO A 101 -0.661 -20.337 -4.305 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.688 -20.048 -5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.724 -18.649 -5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.195 -19.730 -3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.776 -18.066 -4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.451 -19.113 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.380 -17.871 -2.473 1.00 0.00 H new