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 81 SER OG : rot 180:sc= -0.0894 USER MOD Set 1.2: A 88 HIS : no HD1:sc= -0.617 K(o=-0.71,f=-0.13) USER MOD Single : A 12 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.6!) 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 6:sc= 0.487 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0163 (180deg=-0.164) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.494 USER MOD Single : A 70 TYR OH : rot -30:sc= -1.94! USER MOD Single : A 73 GLN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.3) USER MOD Single : A 78 TYR OH : rot -8:sc= 1.07 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -1.66 K(o=-1.7,f=-5.6!) USER MOD Single : A 92 SER OG : rot -159:sc= 1.26 USER MOD Single : A 94 TYR OH : rot 60:sc= -1.48 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -3.144 17.436 1.188 1.00 0.00 N ATOM 89 CA GLY A 10 -2.567 16.646 2.260 1.00 0.00 C ATOM 90 C GLY A 10 -2.730 15.156 2.035 1.00 0.00 C ATOM 91 O GLY A 10 -2.610 14.674 0.908 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.507 16.883 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.038 16.921 3.204 1.00 0.00 H new ATOM 95 N ALA A 11 -3.003 14.423 3.109 1.00 0.00 N ATOM 96 CA ALA A 11 -3.184 12.979 3.023 1.00 0.00 C ATOM 97 C ALA A 11 -4.503 12.630 2.342 1.00 0.00 C ATOM 98 O ALA A 11 -4.520 12.026 1.270 1.00 0.00 O ATOM 99 CB ALA A 11 -3.122 12.356 4.409 1.00 0.00 C ATOM 0 H ALA A 11 -3.104 14.805 4.049 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.374 12.572 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.259 11.278 4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.152 12.567 4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.911 12.777 5.033 1.00 0.00 H new ATOM 105 N HIS A 12 -5.609 13.014 2.973 1.00 0.00 N ATOM 106 CA HIS A 12 -6.934 12.741 2.428 1.00 0.00 C ATOM 107 C HIS A 12 -6.919 12.810 0.904 1.00 0.00 C ATOM 108 O HIS A 12 -7.543 11.992 0.228 1.00 0.00 O ATOM 109 CB HIS A 12 -7.953 13.735 2.986 1.00 0.00 C ATOM 110 CG HIS A 12 -7.740 15.140 2.512 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.705 15.935 2.956 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.436 15.890 1.626 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.775 17.115 2.365 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.816 17.113 1.552 1.00 0.00 N ATOM 0 H HIS A 12 -5.613 13.515 3.862 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.222 11.733 2.725 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.955 13.413 2.703 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.908 13.717 4.075 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.315 15.584 1.079 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.096 17.941 2.520 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.111 17.893 0.965 1.00 0.00 H new ATOM 122 N LYS A 13 -6.204 13.794 0.368 1.00 0.00 N ATOM 123 CA LYS A 13 -6.107 13.972 -1.075 1.00 0.00 C ATOM 124 C LYS A 13 -5.460 12.756 -1.731 1.00 0.00 C ATOM 125 O LYS A 13 -5.997 12.193 -2.685 1.00 0.00 O ATOM 126 CB LYS A 13 -5.301 15.231 -1.402 1.00 0.00 C ATOM 127 CG LYS A 13 -6.121 16.508 -1.355 1.00 0.00 C ATOM 128 CD LYS A 13 -6.824 16.768 -2.677 1.00 0.00 C ATOM 129 CE LYS A 13 -8.181 16.086 -2.731 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.115 16.780 -3.660 1.00 0.00 N ATOM 0 H LYS A 13 -5.683 14.481 0.913 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.117 14.082 -1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.473 15.315 -0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.865 15.125 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.860 16.438 -0.557 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.472 17.350 -1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.949 17.841 -2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.203 16.409 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.055 15.051 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.615 16.061 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.029 16.284 -3.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.256 17.760 -3.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.713 16.781 -4.619 1.00 0.00 H new ATOM 144 N VAL A 14 -4.303 12.356 -1.212 1.00 0.00 N ATOM 145 CA VAL A 14 -3.584 11.205 -1.745 1.00 0.00 C ATOM 146 C VAL A 14 -4.518 10.016 -1.941 1.00 0.00 C ATOM 147 O VAL A 14 -5.395 9.760 -1.117 1.00 0.00 O ATOM 148 CB VAL A 14 -2.427 10.788 -0.819 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.755 9.526 -1.338 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.419 11.920 -0.682 1.00 0.00 C ATOM 0 H VAL A 14 -3.844 12.812 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.176 11.506 -2.710 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.835 10.574 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.940 9.247 -0.670 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.484 8.716 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.359 9.709 -2.337 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.608 11.608 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.015 12.168 -1.663 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.911 12.796 -0.260 1.00 0.00 H new ATOM 160 N ARG A 15 -4.323 9.292 -3.038 1.00 0.00 N ATOM 161 CA ARG A 15 -5.147 8.129 -3.343 1.00 0.00 C ATOM 162 C ARG A 15 -4.314 7.025 -3.986 1.00 0.00 C ATOM 163 O ARG A 15 -3.638 7.248 -4.991 1.00 0.00 O ATOM 164 CB ARG A 15 -6.297 8.522 -4.273 1.00 0.00 C ATOM 165 CG ARG A 15 -7.401 9.304 -3.580 1.00 0.00 C ATOM 166 CD ARG A 15 -8.482 9.731 -4.560 1.00 0.00 C ATOM 167 NE ARG A 15 -7.953 10.585 -5.621 1.00 0.00 N ATOM 168 CZ ARG A 15 -8.703 11.113 -6.581 1.00 0.00 C ATOM 169 NH1 ARG A 15 -10.007 10.875 -6.615 1.00 0.00 N ATOM 170 NH2 ARG A 15 -8.149 11.881 -7.511 1.00 0.00 N ATOM 0 H ARG A 15 -3.601 9.491 -3.731 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.558 7.751 -2.407 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.901 9.119 -5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.723 7.620 -4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.843 8.692 -2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.977 10.185 -3.098 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.941 8.846 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.268 10.264 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.953 10.787 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.436 10.285 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.581 11.282 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.146 12.066 -7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.726 12.286 -8.248 1.00 0.00 H new ATOM 184 N ALA A 16 -4.367 5.833 -3.401 1.00 0.00 N ATOM 185 CA ALA A 16 -3.619 4.694 -3.918 1.00 0.00 C ATOM 186 C ALA A 16 -4.523 3.760 -4.716 1.00 0.00 C ATOM 187 O ALA A 16 -5.669 3.517 -4.340 1.00 0.00 O ATOM 188 CB ALA A 16 -2.953 3.938 -2.777 1.00 0.00 C ATOM 0 H ALA A 16 -4.920 5.631 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.847 5.072 -4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.398 3.090 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.269 4.603 -2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.715 3.579 -2.085 1.00 0.00 H new ATOM 222 N GLY A 20 -1.667 -5.771 -6.420 1.00 0.00 N ATOM 223 CA GLY A 20 -0.876 -6.003 -5.225 1.00 0.00 C ATOM 224 C GLY A 20 -1.652 -5.721 -3.954 1.00 0.00 C ATOM 225 O GLY A 20 -1.538 -6.456 -2.972 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.532 -7.037 -5.215 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.012 -5.372 -5.253 1.00 0.00 H new ATOM 229 N LEU A 21 -2.440 -4.651 -3.970 1.00 0.00 N ATOM 230 CA LEU A 21 -3.236 -4.271 -2.808 1.00 0.00 C ATOM 231 C LEU A 21 -4.502 -5.116 -2.715 1.00 0.00 C ATOM 232 O LEU A 21 -5.076 -5.276 -1.637 1.00 0.00 O ATOM 233 CB LEU A 21 -3.603 -2.788 -2.879 1.00 0.00 C ATOM 234 CG LEU A 21 -2.437 -1.803 -2.789 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.935 -0.372 -2.917 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.679 -1.991 -1.483 1.00 0.00 C ATOM 0 H LEU A 21 -2.545 -4.032 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.637 -4.448 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.132 -2.610 -3.815 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.301 -2.568 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.754 -2.003 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.091 0.314 -2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.432 -0.244 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.640 -0.159 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.853 -1.282 -1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.353 -1.819 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.288 -3.007 -1.432 1.00 0.00 H new ATOM 248 N GLU A 22 -4.931 -5.656 -3.851 1.00 0.00 N ATOM 249 CA GLU A 22 -6.130 -6.487 -3.897 1.00 0.00 C ATOM 250 C GLU A 22 -5.887 -7.830 -3.216 1.00 0.00 C ATOM 251 O GLU A 22 -6.616 -8.216 -2.302 1.00 0.00 O ATOM 252 CB GLU A 22 -6.568 -6.708 -5.346 1.00 0.00 C ATOM 253 CG GLU A 22 -7.016 -5.437 -6.048 1.00 0.00 C ATOM 254 CD GLU A 22 -8.495 -5.157 -5.861 1.00 0.00 C ATOM 255 OE1 GLU A 22 -9.270 -6.127 -5.727 1.00 0.00 O ATOM 256 OE2 GLU A 22 -8.875 -3.968 -5.847 1.00 0.00 O ATOM 0 H GLU A 22 -4.467 -5.534 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.924 -5.966 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.741 -7.148 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.385 -7.430 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.440 -4.594 -5.667 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.797 -5.518 -7.113 1.00 0.00 H new ATOM 263 N ARG A 23 -4.857 -8.538 -3.668 1.00 0.00 N ATOM 264 CA ARG A 23 -4.519 -9.839 -3.105 1.00 0.00 C ATOM 265 C ARG A 23 -3.051 -10.174 -3.352 1.00 0.00 C ATOM 266 O ARG A 23 -2.488 -9.814 -4.385 1.00 0.00 O ATOM 267 CB ARG A 23 -5.410 -10.927 -3.707 1.00 0.00 C ATOM 268 CG ARG A 23 -5.652 -12.103 -2.773 1.00 0.00 C ATOM 269 CD ARG A 23 -6.160 -13.319 -3.530 1.00 0.00 C ATOM 270 NE ARG A 23 -5.147 -13.868 -4.429 1.00 0.00 N ATOM 271 CZ ARG A 23 -5.365 -14.897 -5.240 1.00 0.00 C ATOM 272 NH1 ARG A 23 -6.551 -15.487 -5.265 1.00 0.00 N ATOM 273 NH2 ARG A 23 -4.393 -15.338 -6.029 1.00 0.00 N ATOM 0 H ARG A 23 -4.242 -8.232 -4.422 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.688 -9.796 -2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.369 -10.488 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.952 -11.292 -4.626 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.726 -12.355 -2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.376 -11.820 -2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.467 -14.086 -2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.044 -13.044 -4.105 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.222 -13.438 -4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.300 -15.151 -4.660 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.715 -16.277 -5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.478 -14.887 -6.013 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.561 -16.128 -6.652 1.00 0.00 H new ATOM 287 N GLY A 24 -2.437 -10.866 -2.397 1.00 0.00 N ATOM 288 CA GLY A 24 -1.041 -11.237 -2.530 1.00 0.00 C ATOM 289 C GLY A 24 -0.824 -12.732 -2.406 1.00 0.00 C ATOM 290 O GLY A 24 -1.744 -13.472 -2.061 1.00 0.00 O ATOM 0 H GLY A 24 -2.882 -11.176 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.669 -10.898 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.457 -10.724 -1.766 1.00 0.00 H new ATOM 294 N GLU A 25 0.397 -13.177 -2.691 1.00 0.00 N ATOM 295 CA GLU A 25 0.729 -14.595 -2.612 1.00 0.00 C ATOM 296 C GLU A 25 2.039 -14.805 -1.857 1.00 0.00 C ATOM 297 O GLU A 25 3.071 -14.237 -2.214 1.00 0.00 O ATOM 298 CB GLU A 25 0.835 -15.195 -4.015 1.00 0.00 C ATOM 299 CG GLU A 25 -0.479 -15.748 -4.541 1.00 0.00 C ATOM 300 CD GLU A 25 -1.413 -14.660 -5.035 1.00 0.00 C ATOM 301 OE1 GLU A 25 -1.018 -13.912 -5.953 1.00 0.00 O ATOM 302 OE2 GLU A 25 -2.538 -14.557 -4.502 1.00 0.00 O ATOM 0 H GLU A 25 1.170 -12.577 -2.978 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.069 -15.100 -2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.199 -14.430 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.577 -15.993 -4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.276 -16.445 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.973 -16.315 -3.751 1.00 0.00 H new ATOM 309 N ALA A 26 1.987 -15.622 -0.811 1.00 0.00 N ATOM 310 CA ALA A 26 3.169 -15.909 -0.006 1.00 0.00 C ATOM 311 C ALA A 26 4.328 -16.376 -0.879 1.00 0.00 C ATOM 312 O ALA A 26 4.211 -17.356 -1.614 1.00 0.00 O ATOM 313 CB ALA A 26 2.846 -16.956 1.050 1.00 0.00 C ATOM 0 H ALA A 26 1.140 -16.097 -0.501 1.00 0.00 H new ATOM 0 HA ALA A 26 3.472 -14.988 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.737 -17.161 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.054 -16.585 1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.515 -17.874 0.563 1.00 0.00 H new ATOM 319 N GLY A 27 5.449 -15.666 -0.795 1.00 0.00 N ATOM 320 CA GLY A 27 6.614 -16.022 -1.585 1.00 0.00 C ATOM 321 C GLY A 27 6.777 -15.142 -2.808 1.00 0.00 C ATOM 322 O GLY A 27 7.895 -14.899 -3.263 1.00 0.00 O ATOM 0 H GLY A 27 5.571 -14.851 -0.194 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.507 -15.945 -0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.532 -17.063 -1.899 1.00 0.00 H new ATOM 326 N VAL A 28 5.659 -14.663 -3.344 1.00 0.00 N ATOM 327 CA VAL A 28 5.682 -13.806 -4.523 1.00 0.00 C ATOM 328 C VAL A 28 5.603 -12.334 -4.133 1.00 0.00 C ATOM 329 O VAL A 28 4.798 -11.931 -3.294 1.00 0.00 O ATOM 330 CB VAL A 28 4.522 -14.135 -5.480 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.549 -13.214 -6.690 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.583 -15.594 -5.909 1.00 0.00 C ATOM 0 H VAL A 28 4.726 -14.854 -2.980 1.00 0.00 H new ATOM 0 HA VAL A 28 6.627 -13.994 -5.033 1.00 0.00 H new ATOM 0 HB VAL A 28 3.582 -13.974 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.721 -13.462 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.453 -12.179 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.492 -13.340 -7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.756 -15.809 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.527 -15.784 -6.419 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.510 -16.235 -5.030 1.00 0.00 H new ATOM 342 N PRO A 29 6.458 -11.509 -4.757 1.00 0.00 N ATOM 343 CA PRO A 29 6.504 -10.069 -4.492 1.00 0.00 C ATOM 344 C PRO A 29 5.269 -9.343 -5.017 1.00 0.00 C ATOM 345 O PRO A 29 4.742 -9.681 -6.077 1.00 0.00 O ATOM 346 CB PRO A 29 7.754 -9.609 -5.247 1.00 0.00 C ATOM 347 CG PRO A 29 7.934 -10.614 -6.331 1.00 0.00 C ATOM 348 CD PRO A 29 7.446 -11.921 -5.769 1.00 0.00 C ATOM 0 HA PRO A 29 6.530 -9.852 -3.424 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.624 -8.606 -5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.623 -9.576 -4.590 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.367 -10.335 -7.220 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.980 -10.684 -6.629 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.995 -12.547 -6.539 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.259 -12.497 -5.326 1.00 0.00 H new ATOM 356 N ALA A 30 4.812 -8.345 -4.269 1.00 0.00 N ATOM 357 CA ALA A 30 3.641 -7.571 -4.660 1.00 0.00 C ATOM 358 C ALA A 30 3.948 -6.076 -4.666 1.00 0.00 C ATOM 359 O ALA A 30 3.981 -5.436 -3.616 1.00 0.00 O ATOM 360 CB ALA A 30 2.476 -7.868 -3.727 1.00 0.00 C ATOM 0 H ALA A 30 5.235 -8.053 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 30 3.365 -7.863 -5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.608 -7.283 -4.031 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.233 -8.929 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.751 -7.605 -2.706 1.00 0.00 H new ATOM 366 N GLU A 31 4.171 -5.528 -5.857 1.00 0.00 N ATOM 367 CA GLU A 31 4.477 -4.109 -5.998 1.00 0.00 C ATOM 368 C GLU A 31 3.266 -3.341 -6.521 1.00 0.00 C ATOM 369 O GLU A 31 2.470 -3.871 -7.298 1.00 0.00 O ATOM 370 CB GLU A 31 5.666 -3.912 -6.941 1.00 0.00 C ATOM 371 CG GLU A 31 5.424 -4.443 -8.344 1.00 0.00 C ATOM 372 CD GLU A 31 4.813 -3.405 -9.264 1.00 0.00 C ATOM 373 OE1 GLU A 31 5.343 -2.276 -9.319 1.00 0.00 O ATOM 374 OE2 GLU A 31 3.803 -3.721 -9.927 1.00 0.00 O ATOM 0 H GLU A 31 4.146 -6.044 -6.736 1.00 0.00 H new ATOM 0 HA GLU A 31 4.735 -3.719 -5.013 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.901 -2.849 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.540 -4.409 -6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.368 -4.786 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.765 -5.309 -8.292 1.00 0.00 H new ATOM 381 N PHE A 32 3.134 -2.092 -6.090 1.00 0.00 N ATOM 382 CA PHE A 32 2.020 -1.250 -6.513 1.00 0.00 C ATOM 383 C PHE A 32 2.494 0.168 -6.817 1.00 0.00 C ATOM 384 O PHE A 32 3.555 0.591 -6.358 1.00 0.00 O ATOM 385 CB PHE A 32 0.938 -1.218 -5.431 1.00 0.00 C ATOM 386 CG PHE A 32 1.485 -1.057 -4.042 1.00 0.00 C ATOM 387 CD1 PHE A 32 2.024 -2.140 -3.366 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.459 0.177 -3.412 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.527 -1.994 -2.086 1.00 0.00 C ATOM 390 CE2 PHE A 32 1.961 0.328 -2.133 1.00 0.00 C ATOM 391 CZ PHE A 32 2.497 -0.758 -1.470 1.00 0.00 C ATOM 0 H PHE A 32 3.784 -1.639 -5.448 1.00 0.00 H new ATOM 0 HA PHE A 32 1.600 -1.676 -7.424 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.251 -0.398 -5.640 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.359 -2.140 -5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.052 -3.108 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.042 1.030 -3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.943 -2.846 -1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.934 1.295 -1.653 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.892 -0.641 -0.472 1.00 0.00 H new ATOM 401 N SER A 33 1.700 0.897 -7.594 1.00 0.00 N ATOM 402 CA SER A 33 2.040 2.266 -7.964 1.00 0.00 C ATOM 403 C SER A 33 1.297 3.266 -7.084 1.00 0.00 C ATOM 404 O SER A 33 0.130 3.063 -6.744 1.00 0.00 O ATOM 405 CB SER A 33 1.705 2.517 -9.435 1.00 0.00 C ATOM 406 OG SER A 33 0.320 2.344 -9.681 1.00 0.00 O ATOM 0 H SER A 33 0.817 0.563 -7.980 1.00 0.00 H new ATOM 0 HA SER A 33 3.111 2.402 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.003 3.529 -9.711 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.277 1.834 -10.063 1.00 0.00 H new ATOM 0 HG SER A 33 0.132 2.512 -10.628 1.00 0.00 H new ATOM 412 N ILE A 34 1.979 4.345 -6.719 1.00 0.00 N ATOM 413 CA ILE A 34 1.385 5.378 -5.879 1.00 0.00 C ATOM 414 C ILE A 34 1.405 6.733 -6.578 1.00 0.00 C ATOM 415 O ILE A 34 2.467 7.324 -6.778 1.00 0.00 O ATOM 416 CB ILE A 34 2.118 5.498 -4.529 1.00 0.00 C ATOM 417 CG1 ILE A 34 2.233 4.125 -3.865 1.00 0.00 C ATOM 418 CG2 ILE A 34 1.392 6.475 -3.618 1.00 0.00 C ATOM 419 CD1 ILE A 34 3.310 4.056 -2.804 1.00 0.00 C ATOM 0 H ILE A 34 2.945 4.528 -6.992 1.00 0.00 H new ATOM 0 HA ILE A 34 0.352 5.081 -5.696 1.00 0.00 H new ATOM 0 HB ILE A 34 3.123 5.879 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.274 3.866 -3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.439 3.376 -4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.922 6.549 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.357 7.456 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.376 6.121 -3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.335 3.054 -2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.277 4.284 -3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.094 4.781 -2.019 1.00 0.00 H new ATOM 549 N LEU A 44 6.328 9.584 2.185 1.00 0.00 N ATOM 550 CA LEU A 44 5.615 8.321 2.034 1.00 0.00 C ATOM 551 C LEU A 44 6.260 7.227 2.878 1.00 0.00 C ATOM 552 O LEU A 44 7.372 6.782 2.591 1.00 0.00 O ATOM 553 CB LEU A 44 5.590 7.899 0.563 1.00 0.00 C ATOM 554 CG LEU A 44 4.494 8.526 -0.297 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.729 8.221 -1.768 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.123 8.030 0.141 1.00 0.00 C ATOM 0 HA LEU A 44 4.592 8.466 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.556 8.143 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.483 6.815 0.519 1.00 0.00 H new ATOM 0 HG LEU A 44 4.527 9.607 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.938 8.676 -2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.693 8.626 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.724 7.142 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.354 8.487 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.078 6.946 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.954 8.301 1.183 1.00 0.00 H new ATOM 568 N SER A 45 5.554 6.795 3.918 1.00 0.00 N ATOM 569 CA SER A 45 6.059 5.753 4.805 1.00 0.00 C ATOM 570 C SER A 45 5.188 4.503 4.724 1.00 0.00 C ATOM 571 O SER A 45 3.985 4.553 4.988 1.00 0.00 O ATOM 572 CB SER A 45 6.109 6.262 6.247 1.00 0.00 C ATOM 573 OG SER A 45 6.837 7.474 6.335 1.00 0.00 O ATOM 0 H SER A 45 4.631 7.150 4.167 1.00 0.00 H new ATOM 0 HA SER A 45 7.068 5.493 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.095 6.415 6.617 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.571 5.509 6.886 1.00 0.00 H new ATOM 0 HG SER A 45 6.853 7.779 7.266 1.00 0.00 H new ATOM 579 N ILE A 46 5.803 3.383 4.360 1.00 0.00 N ATOM 580 CA ILE A 46 5.085 2.119 4.246 1.00 0.00 C ATOM 581 C ILE A 46 5.669 1.070 5.186 1.00 0.00 C ATOM 582 O ILE A 46 6.875 0.833 5.195 1.00 0.00 O ATOM 583 CB ILE A 46 5.122 1.579 2.804 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.491 2.588 1.842 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.405 0.240 2.722 1.00 0.00 C ATOM 586 CD1 ILE A 46 4.859 2.353 0.393 1.00 0.00 C ATOM 0 H ILE A 46 6.797 3.325 4.139 1.00 0.00 H new ATOM 0 HA ILE A 46 4.050 2.317 4.524 1.00 0.00 H new ATOM 0 HB ILE A 46 6.162 1.430 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.407 2.546 1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.800 3.593 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.439 -0.129 1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.895 -0.476 3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.366 0.364 3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.377 3.105 -0.231 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.940 2.424 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.525 1.361 0.089 1.00 0.00 H new ATOM 598 N ALA A 47 4.801 0.442 5.974 1.00 0.00 N ATOM 599 CA ALA A 47 5.229 -0.585 6.914 1.00 0.00 C ATOM 600 C ALA A 47 4.339 -1.819 6.822 1.00 0.00 C ATOM 601 O ALA A 47 3.145 -1.760 7.119 1.00 0.00 O ATOM 602 CB ALA A 47 5.227 -0.036 8.333 1.00 0.00 C ATOM 0 H ALA A 47 3.798 0.627 5.979 1.00 0.00 H new ATOM 0 HA ALA A 47 6.245 -0.881 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.549 -0.814 9.025 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.910 0.811 8.396 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.220 0.289 8.596 1.00 0.00 H new ATOM 608 N VAL A 48 4.926 -2.938 6.407 1.00 0.00 N ATOM 609 CA VAL A 48 4.185 -4.187 6.276 1.00 0.00 C ATOM 610 C VAL A 48 4.296 -5.027 7.542 1.00 0.00 C ATOM 611 O VAL A 48 5.368 -5.537 7.868 1.00 0.00 O ATOM 612 CB VAL A 48 4.688 -5.014 5.077 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.926 -6.327 4.979 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.561 -4.216 3.789 1.00 0.00 C ATOM 0 H VAL A 48 5.912 -3.005 6.156 1.00 0.00 H new ATOM 0 HA VAL A 48 3.141 -3.921 6.112 1.00 0.00 H new ATOM 0 HB VAL A 48 5.742 -5.244 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.294 -6.898 4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.074 -6.902 5.893 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.864 -6.122 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.921 -4.815 2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.516 -3.954 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.155 -3.305 3.865 1.00 0.00 H new ATOM 624 N GLU A 49 3.181 -5.168 8.253 1.00 0.00 N ATOM 625 CA GLU A 49 3.155 -5.949 9.485 1.00 0.00 C ATOM 626 C GLU A 49 2.093 -7.042 9.414 1.00 0.00 C ATOM 627 O GLU A 49 0.907 -6.760 9.246 1.00 0.00 O ATOM 628 CB GLU A 49 2.886 -5.038 10.685 1.00 0.00 C ATOM 629 CG GLU A 49 3.958 -3.983 10.900 1.00 0.00 C ATOM 630 CD GLU A 49 3.523 -2.899 11.868 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.704 -2.044 11.470 1.00 0.00 O ATOM 632 OE2 GLU A 49 4.001 -2.906 13.021 1.00 0.00 O ATOM 0 H GLU A 49 2.285 -4.752 7.998 1.00 0.00 H new ATOM 0 HA GLU A 49 4.130 -6.422 9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.924 -4.544 10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.804 -5.649 11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.862 -4.461 11.277 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.213 -3.529 9.942 1.00 0.00 H new ATOM 639 N GLY A 50 2.529 -8.292 9.542 1.00 0.00 N ATOM 640 CA GLY A 50 1.604 -9.409 9.490 1.00 0.00 C ATOM 641 C GLY A 50 1.978 -10.516 10.455 1.00 0.00 C ATOM 642 O GLY A 50 2.686 -10.300 11.438 1.00 0.00 O ATOM 0 H GLY A 50 3.506 -8.551 9.681 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.599 -9.055 9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.578 -9.808 8.476 1.00 0.00 H new ATOM 646 N PRO A 51 1.494 -11.737 10.177 1.00 0.00 N ATOM 647 CA PRO A 51 1.767 -12.906 11.018 1.00 0.00 C ATOM 648 C PRO A 51 3.221 -13.355 10.930 1.00 0.00 C ATOM 649 O PRO A 51 3.662 -14.215 11.693 1.00 0.00 O ATOM 650 CB PRO A 51 0.840 -13.980 10.443 1.00 0.00 C ATOM 651 CG PRO A 51 0.619 -13.571 9.028 1.00 0.00 C ATOM 652 CD PRO A 51 0.643 -12.068 9.022 1.00 0.00 C ATOM 0 HA PRO A 51 1.597 -12.698 12.074 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.295 -14.969 10.503 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.100 -14.027 10.993 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.395 -13.976 8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.335 -13.947 8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.056 -11.676 8.093 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.358 -11.649 9.127 1.00 0.00 H new ATOM 660 N SER A 52 3.962 -12.769 9.995 1.00 0.00 N ATOM 661 CA SER A 52 5.367 -13.111 9.806 1.00 0.00 C ATOM 662 C SER A 52 6.135 -11.942 9.199 1.00 0.00 C ATOM 663 O SER A 52 5.545 -11.034 8.611 1.00 0.00 O ATOM 664 CB SER A 52 5.496 -14.343 8.907 1.00 0.00 C ATOM 665 OG SER A 52 5.049 -15.510 9.574 1.00 0.00 O ATOM 0 H SER A 52 3.613 -12.055 9.356 1.00 0.00 H new ATOM 0 HA SER A 52 5.796 -13.335 10.783 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.915 -14.195 7.997 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.536 -14.469 8.604 1.00 0.00 H new ATOM 0 HG SER A 52 4.657 -15.263 10.438 1.00 0.00 H new ATOM 671 N LYS A 53 7.456 -11.969 9.344 1.00 0.00 N ATOM 672 CA LYS A 53 8.307 -10.913 8.809 1.00 0.00 C ATOM 673 C LYS A 53 8.128 -10.781 7.300 1.00 0.00 C ATOM 674 O LYS A 53 8.063 -11.780 6.584 1.00 0.00 O ATOM 675 CB LYS A 53 9.774 -11.198 9.138 1.00 0.00 C ATOM 676 CG LYS A 53 10.618 -9.944 9.289 1.00 0.00 C ATOM 677 CD LYS A 53 11.838 -10.194 10.160 1.00 0.00 C ATOM 678 CE LYS A 53 11.507 -10.052 11.637 1.00 0.00 C ATOM 679 NZ LYS A 53 11.291 -8.630 12.023 1.00 0.00 N ATOM 0 H LYS A 53 7.960 -12.712 9.828 1.00 0.00 H new ATOM 0 HA LYS A 53 8.013 -9.972 9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.825 -11.774 10.062 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.200 -11.820 8.351 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.937 -9.598 8.306 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.014 -9.149 9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.225 -11.195 9.967 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.627 -9.491 9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.612 -10.630 11.866 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.318 -10.471 12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.354 -8.537 13.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.018 -8.035 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.350 -8.323 11.705 1.00 0.00 H new ATOM 693 N ALA A 54 8.051 -9.543 6.824 1.00 0.00 N ATOM 694 CA ALA A 54 7.884 -9.282 5.400 1.00 0.00 C ATOM 695 C ALA A 54 9.036 -8.442 4.857 1.00 0.00 C ATOM 696 O ALA A 54 9.555 -7.566 5.548 1.00 0.00 O ATOM 697 CB ALA A 54 6.555 -8.586 5.143 1.00 0.00 C ATOM 0 H ALA A 54 8.102 -8.705 7.404 1.00 0.00 H new ATOM 0 HA ALA A 54 7.888 -10.239 4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.444 -8.397 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.739 -9.222 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.529 -7.640 5.683 1.00 0.00 H new ATOM 703 N GLU A 55 9.429 -8.716 3.617 1.00 0.00 N ATOM 704 CA GLU A 55 10.521 -7.986 2.984 1.00 0.00 C ATOM 705 C GLU A 55 9.989 -6.803 2.179 1.00 0.00 C ATOM 706 O GLU A 55 8.853 -6.822 1.706 1.00 0.00 O ATOM 707 CB GLU A 55 11.325 -8.916 2.073 1.00 0.00 C ATOM 708 CG GLU A 55 12.736 -8.427 1.797 1.00 0.00 C ATOM 709 CD GLU A 55 13.286 -8.942 0.482 1.00 0.00 C ATOM 710 OE1 GLU A 55 13.427 -10.175 0.339 1.00 0.00 O ATOM 711 OE2 GLU A 55 13.575 -8.112 -0.405 1.00 0.00 O ATOM 0 H GLU A 55 9.008 -9.437 3.032 1.00 0.00 H new ATOM 0 HA GLU A 55 11.174 -7.605 3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.375 -9.904 2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.797 -9.029 1.126 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.743 -7.337 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.391 -8.743 2.609 1.00 0.00 H new ATOM 718 N ILE A 56 10.818 -5.776 2.031 1.00 0.00 N ATOM 719 CA ILE A 56 10.433 -4.585 1.284 1.00 0.00 C ATOM 720 C ILE A 56 11.620 -4.007 0.521 1.00 0.00 C ATOM 721 O ILE A 56 12.728 -3.919 1.048 1.00 0.00 O ATOM 722 CB ILE A 56 9.856 -3.500 2.213 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.594 -4.013 2.910 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.556 -2.234 1.426 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.279 -3.289 4.200 1.00 0.00 C ATOM 0 H ILE A 56 11.761 -5.744 2.419 1.00 0.00 H new ATOM 0 HA ILE A 56 9.664 -4.892 0.575 1.00 0.00 H new ATOM 0 HB ILE A 56 10.598 -3.263 2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.747 -3.913 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.711 -5.076 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.149 -1.477 2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.474 -1.861 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.829 -2.455 0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.372 -3.705 4.639 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.108 -3.410 4.897 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.130 -2.229 3.995 1.00 0.00 H new ATOM 737 N THR A 57 11.379 -3.610 -0.725 1.00 0.00 N ATOM 738 CA THR A 57 12.426 -3.039 -1.562 1.00 0.00 C ATOM 739 C THR A 57 11.957 -1.751 -2.228 1.00 0.00 C ATOM 740 O THR A 57 10.889 -1.711 -2.840 1.00 0.00 O ATOM 741 CB THR A 57 12.879 -4.031 -2.650 1.00 0.00 C ATOM 742 OG1 THR A 57 13.454 -5.194 -2.044 1.00 0.00 O ATOM 743 CG2 THR A 57 13.894 -3.385 -3.581 1.00 0.00 C ATOM 0 H THR A 57 10.467 -3.674 -1.177 1.00 0.00 H new ATOM 0 HA THR A 57 13.269 -2.819 -0.907 1.00 0.00 H new ATOM 0 HB THR A 57 12.005 -4.320 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.738 -5.820 -2.742 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.200 -4.104 -4.341 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.445 -2.517 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.766 -3.071 -3.007 1.00 0.00 H new ATOM 884 N VAL A 68 7.021 0.298 -4.861 1.00 0.00 N ATOM 885 CA VAL A 68 7.370 -0.404 -3.631 1.00 0.00 C ATOM 886 C VAL A 68 6.970 -1.873 -3.703 1.00 0.00 C ATOM 887 O VAL A 68 5.788 -2.200 -3.805 1.00 0.00 O ATOM 888 CB VAL A 68 6.696 0.242 -2.406 1.00 0.00 C ATOM 889 CG1 VAL A 68 7.056 -0.515 -1.137 1.00 0.00 C ATOM 890 CG2 VAL A 68 7.088 1.708 -2.292 1.00 0.00 C ATOM 0 HA VAL A 68 8.452 -0.331 -3.521 1.00 0.00 H new ATOM 0 HB VAL A 68 5.615 0.188 -2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.571 -0.044 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.719 -1.548 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.137 -0.496 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.602 2.148 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.170 1.788 -2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.773 2.240 -3.190 1.00 0.00 H new ATOM 900 N SER A 69 7.963 -2.755 -3.648 1.00 0.00 N ATOM 901 CA SER A 69 7.715 -4.190 -3.711 1.00 0.00 C ATOM 902 C SER A 69 7.874 -4.829 -2.335 1.00 0.00 C ATOM 903 O SER A 69 8.716 -4.414 -1.539 1.00 0.00 O ATOM 904 CB SER A 69 8.672 -4.851 -4.706 1.00 0.00 C ATOM 905 OG SER A 69 9.965 -5.003 -4.147 1.00 0.00 O ATOM 0 H SER A 69 8.947 -2.501 -3.560 1.00 0.00 H new ATOM 0 HA SER A 69 6.690 -4.342 -4.047 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.282 -5.826 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.733 -4.248 -5.612 1.00 0.00 H new ATOM 0 HG SER A 69 10.557 -5.429 -4.802 1.00 0.00 H new ATOM 911 N TYR A 70 7.057 -5.840 -2.062 1.00 0.00 N ATOM 912 CA TYR A 70 7.104 -6.537 -0.782 1.00 0.00 C ATOM 913 C TYR A 70 6.806 -8.022 -0.958 1.00 0.00 C ATOM 914 O TYR A 70 6.010 -8.409 -1.814 1.00 0.00 O ATOM 915 CB TYR A 70 6.104 -5.916 0.196 1.00 0.00 C ATOM 916 CG TYR A 70 4.677 -6.362 -0.034 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.176 -7.502 0.585 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.830 -5.645 -0.870 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.874 -7.913 0.377 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.526 -6.048 -1.082 1.00 0.00 C ATOM 921 CZ TYR A 70 2.053 -7.183 -0.457 1.00 0.00 C ATOM 922 OH TYR A 70 0.755 -7.588 -0.666 1.00 0.00 O ATOM 0 H TYR A 70 6.354 -6.195 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 70 8.111 -6.434 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.397 -6.173 1.214 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.154 -4.830 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.816 -8.076 1.239 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.198 -4.757 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.501 -8.801 0.865 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.880 -5.478 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 70 0.700 -8.563 -0.588 1.00 0.00 H new ATOM 932 N ILE A 71 7.451 -8.849 -0.142 1.00 0.00 N ATOM 933 CA ILE A 71 7.255 -10.292 -0.204 1.00 0.00 C ATOM 934 C ILE A 71 6.913 -10.861 1.168 1.00 0.00 C ATOM 935 O ILE A 71 7.472 -10.443 2.181 1.00 0.00 O ATOM 936 CB ILE A 71 8.505 -11.007 -0.747 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.746 -10.622 -2.209 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.357 -12.514 -0.608 1.00 0.00 C ATOM 939 CD1 ILE A 71 10.133 -10.966 -2.703 1.00 0.00 C ATOM 0 H ILE A 71 8.114 -8.544 0.570 1.00 0.00 H new ATOM 0 HA ILE A 71 6.422 -10.467 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 71 9.368 -10.691 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.010 -11.127 -2.835 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.583 -9.551 -2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.249 -13.005 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.230 -12.772 0.443 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.485 -12.847 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.233 -10.665 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.874 -10.440 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.293 -12.041 -2.619 1.00 0.00 H new ATOM 951 N ALA A 72 5.991 -11.819 1.193 1.00 0.00 N ATOM 952 CA ALA A 72 5.577 -12.449 2.441 1.00 0.00 C ATOM 953 C ALA A 72 5.956 -13.925 2.462 1.00 0.00 C ATOM 954 O ALA A 72 5.297 -14.753 1.834 1.00 0.00 O ATOM 955 CB ALA A 72 4.078 -12.282 2.644 1.00 0.00 C ATOM 0 H ALA A 72 5.517 -12.175 0.363 1.00 0.00 H new ATOM 0 HA ALA A 72 6.100 -11.956 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.782 -12.757 3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.832 -11.221 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.544 -12.748 1.816 1.00 0.00 H new ATOM 961 N GLN A 73 7.022 -14.248 3.187 1.00 0.00 N ATOM 962 CA GLN A 73 7.488 -15.625 3.289 1.00 0.00 C ATOM 963 C GLN A 73 6.342 -16.562 3.658 1.00 0.00 C ATOM 964 O GLN A 73 6.216 -17.651 3.100 1.00 0.00 O ATOM 965 CB GLN A 73 8.605 -15.732 4.328 1.00 0.00 C ATOM 966 CG GLN A 73 9.885 -15.021 3.920 1.00 0.00 C ATOM 967 CD GLN A 73 10.801 -15.897 3.089 1.00 0.00 C ATOM 968 OE1 GLN A 73 11.777 -16.451 3.595 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.491 -16.026 1.804 1.00 0.00 N ATOM 0 H GLN A 73 7.579 -13.574 3.712 1.00 0.00 H new ATOM 0 HA GLN A 73 7.877 -15.923 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.253 -15.316 5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.825 -16.785 4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.633 -14.125 3.353 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.415 -14.694 4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.672 -15.549 1.426 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.071 -16.602 1.195 1.00 0.00 H new ATOM 978 N GLU A 74 5.511 -16.129 4.601 1.00 0.00 N ATOM 979 CA GLU A 74 4.377 -16.931 5.045 1.00 0.00 C ATOM 980 C GLU A 74 3.058 -16.277 4.645 1.00 0.00 C ATOM 981 O GLU A 74 2.919 -15.054 4.641 1.00 0.00 O ATOM 982 CB GLU A 74 4.423 -17.125 6.562 1.00 0.00 C ATOM 983 CG GLU A 74 5.802 -17.488 7.088 1.00 0.00 C ATOM 984 CD GLU A 74 5.743 -18.345 8.338 1.00 0.00 C ATOM 985 OE1 GLU A 74 4.669 -18.919 8.614 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.772 -18.442 9.039 1.00 0.00 O ATOM 0 H GLU A 74 5.602 -15.229 5.072 1.00 0.00 H new ATOM 0 HA GLU A 74 4.442 -17.905 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.088 -16.208 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.719 -17.909 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.354 -18.020 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.356 -16.575 7.304 1.00 0.00 H new ATOM 993 N PRO A 75 2.066 -17.110 4.298 1.00 0.00 N ATOM 994 CA PRO A 75 0.741 -16.636 3.890 1.00 0.00 C ATOM 995 C PRO A 75 -0.041 -16.029 5.050 1.00 0.00 C ATOM 996 O PRO A 75 0.202 -16.353 6.212 1.00 0.00 O ATOM 997 CB PRO A 75 0.050 -17.905 3.386 1.00 0.00 C ATOM 998 CG PRO A 75 0.734 -19.019 4.099 1.00 0.00 C ATOM 999 CD PRO A 75 2.161 -18.580 4.281 1.00 0.00 C ATOM 0 HA PRO A 75 0.804 -15.843 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -1.017 -17.889 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.149 -18.007 2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.261 -19.216 5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.680 -19.943 3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.585 -18.966 5.208 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.797 -18.932 3.469 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.983 -15.148 4.727 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.786 -14.510 5.754 1.00 0.00 C ATOM 1009 C GLY A 76 -2.159 -13.085 5.397 1.00 0.00 C ATOM 1010 O GLY A 76 -1.846 -12.609 4.306 1.00 0.00 O ATOM 0 H GLY A 76 -1.204 -14.865 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.694 -15.091 5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.236 -14.513 6.695 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.831 -12.402 6.318 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.249 -11.024 6.094 1.00 0.00 C ATOM 1016 C ASN A 77 -2.170 -10.046 6.551 1.00 0.00 C ATOM 1017 O ASN A 77 -1.940 -9.875 7.749 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.557 -10.738 6.834 1.00 0.00 C ATOM 1019 CG ASN A 77 -5.719 -11.544 6.287 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -5.551 -12.362 5.382 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -6.907 -11.315 6.833 1.00 0.00 N ATOM 0 H ASN A 77 -3.098 -12.781 7.227 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.407 -10.889 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.429 -10.963 7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.788 -9.675 6.760 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -7.726 -11.826 6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.001 -10.628 7.581 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.511 -9.409 5.589 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.455 -8.450 5.893 1.00 0.00 C ATOM 1030 C TYR A 78 -0.991 -7.022 5.868 1.00 0.00 C ATOM 1031 O TYR A 78 -1.341 -6.499 4.810 1.00 0.00 O ATOM 1032 CB TYR A 78 0.694 -8.593 4.893 1.00 0.00 C ATOM 1033 CG TYR A 78 1.588 -9.783 5.164 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.201 -11.065 4.796 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.819 -9.623 5.787 1.00 0.00 C ATOM 1036 CE1 TYR A 78 2.015 -12.155 5.042 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.640 -10.706 6.036 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.233 -11.969 5.662 1.00 0.00 C ATOM 1039 OH TYR A 78 4.047 -13.052 5.907 1.00 0.00 O ATOM 0 H TYR A 78 -1.689 -9.539 4.593 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.085 -8.661 6.896 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.281 -8.681 3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.296 -7.685 4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.248 -11.213 4.310 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.140 -8.635 6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.699 -13.146 4.751 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.595 -10.564 6.521 1.00 0.00 H new ATOM 0 HH TYR A 78 3.563 -13.879 5.699 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.052 -6.400 7.039 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.546 -5.032 7.153 1.00 0.00 C ATOM 1051 C GLU A 79 -0.435 -4.027 6.863 1.00 0.00 C ATOM 1052 O GLU A 79 0.525 -3.907 7.624 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.118 -4.787 8.551 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.241 -3.763 8.576 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.368 -3.072 9.920 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -3.796 -3.733 10.891 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -3.040 -1.871 10.002 1.00 0.00 O ATOM 0 H GLU A 79 -0.766 -6.820 7.923 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.337 -4.896 6.416 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.488 -5.730 8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.316 -4.452 9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.064 -3.016 7.802 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.183 -4.256 8.334 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.571 -3.307 5.753 1.00 0.00 N ATOM 1065 CA VAL A 80 0.419 -2.311 5.361 1.00 0.00 C ATOM 1066 C VAL A 80 -0.021 -0.909 5.764 1.00 0.00 C ATOM 1067 O VAL A 80 -1.031 -0.400 5.279 1.00 0.00 O ATOM 1068 CB VAL A 80 0.674 -2.340 3.842 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.799 -1.387 3.470 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.989 -3.756 3.382 1.00 0.00 C ATOM 0 H VAL A 80 -1.358 -3.395 5.110 1.00 0.00 H new ATOM 0 HA VAL A 80 1.343 -2.562 5.882 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.232 -2.010 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.964 -1.422 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.528 -0.373 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.712 -1.683 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.166 -3.758 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.879 -4.116 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.147 -4.409 3.612 1.00 0.00 H new ATOM 1080 N SER A 81 0.744 -0.288 6.658 1.00 0.00 N ATOM 1081 CA SER A 81 0.431 1.055 7.129 1.00 0.00 C ATOM 1082 C SER A 81 1.127 2.109 6.273 1.00 0.00 C ATOM 1083 O SER A 81 2.356 2.184 6.238 1.00 0.00 O ATOM 1084 CB SER A 81 0.850 1.215 8.593 1.00 0.00 C ATOM 1085 OG SER A 81 0.456 2.478 9.100 1.00 0.00 O ATOM 0 H SER A 81 1.584 -0.694 7.070 1.00 0.00 H new ATOM 0 HA SER A 81 -0.646 1.199 7.047 1.00 0.00 H new ATOM 0 HB2 SER A 81 0.401 0.423 9.192 1.00 0.00 H new ATOM 0 HB3 SER A 81 1.931 1.106 8.679 1.00 0.00 H new ATOM 0 HG SER A 81 0.733 2.555 10.037 1.00 0.00 H new ATOM 1091 N ILE A 82 0.332 2.919 5.581 1.00 0.00 N ATOM 1092 CA ILE A 82 0.871 3.969 4.725 1.00 0.00 C ATOM 1093 C ILE A 82 0.609 5.349 5.317 1.00 0.00 C ATOM 1094 O ILE A 82 -0.537 5.727 5.557 1.00 0.00 O ATOM 1095 CB ILE A 82 0.266 3.906 3.310 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.537 2.540 2.676 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.832 5.020 2.442 1.00 0.00 C ATOM 1098 CD1 ILE A 82 0.112 2.452 1.227 1.00 0.00 C ATOM 0 H ILE A 82 -0.687 2.868 5.596 1.00 0.00 H new ATOM 0 HA ILE A 82 1.946 3.803 4.660 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.813 4.043 3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.602 2.320 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.014 1.773 3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.395 4.962 1.445 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.593 5.986 2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.914 4.911 2.371 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.334 1.456 0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.959 2.640 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.654 3.196 0.643 1.00 0.00 H new ATOM 1110 N LYS A 83 1.681 6.100 5.548 1.00 0.00 N ATOM 1111 CA LYS A 83 1.570 7.441 6.110 1.00 0.00 C ATOM 1112 C LYS A 83 2.147 8.480 5.154 1.00 0.00 C ATOM 1113 O LYS A 83 3.322 8.418 4.790 1.00 0.00 O ATOM 1114 CB LYS A 83 2.291 7.515 7.457 1.00 0.00 C ATOM 1115 CG LYS A 83 1.423 7.110 8.635 1.00 0.00 C ATOM 1116 CD LYS A 83 1.875 7.784 9.919 1.00 0.00 C ATOM 1117 CE LYS A 83 3.265 7.326 10.330 1.00 0.00 C ATOM 1118 NZ LYS A 83 3.232 6.013 11.033 1.00 0.00 N ATOM 0 H LYS A 83 2.637 5.802 5.354 1.00 0.00 H new ATOM 0 HA LYS A 83 0.512 7.658 6.260 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.169 6.870 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.648 8.533 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.385 7.373 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.459 6.028 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.873 8.866 9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.167 7.561 10.717 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.898 7.249 9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.716 8.075 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.199 5.736 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.649 6.093 11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.825 5.292 10.403 1.00 0.00 H new ATOM 1132 N PHE A 84 1.316 9.435 4.753 1.00 0.00 N ATOM 1133 CA PHE A 84 1.745 10.489 3.839 1.00 0.00 C ATOM 1134 C PHE A 84 2.044 11.778 4.599 1.00 0.00 C ATOM 1135 O PHE A 84 1.170 12.338 5.261 1.00 0.00 O ATOM 1136 CB PHE A 84 0.670 10.744 2.780 1.00 0.00 C ATOM 1137 CG PHE A 84 0.904 11.991 1.977 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.838 12.005 0.953 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.192 13.148 2.244 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.057 13.151 0.212 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.406 14.298 1.506 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.340 14.298 0.488 1.00 0.00 C ATOM 0 H PHE A 84 0.341 9.502 5.046 1.00 0.00 H new ATOM 0 HA PHE A 84 2.659 10.159 3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.627 9.889 2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.302 10.813 3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.401 11.110 0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.540 13.153 3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.789 13.149 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.156 15.194 1.725 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.509 15.194 -0.091 1.00 0.00 H new ATOM 1152 N ASN A 85 3.285 12.243 4.498 1.00 0.00 N ATOM 1153 CA ASN A 85 3.700 13.465 5.176 1.00 0.00 C ATOM 1154 C ASN A 85 3.384 13.395 6.666 1.00 0.00 C ATOM 1155 O ASN A 85 3.068 14.407 7.293 1.00 0.00 O ATOM 1156 CB ASN A 85 3.007 14.679 4.553 1.00 0.00 C ATOM 1157 CG ASN A 85 3.459 14.935 3.128 1.00 0.00 C ATOM 1158 OD1 ASN A 85 3.665 14.000 2.353 1.00 0.00 O ATOM 1159 ND2 ASN A 85 3.614 16.205 2.775 1.00 0.00 N ATOM 0 H ASN A 85 4.020 11.792 3.953 1.00 0.00 H new ATOM 0 HA ASN A 85 4.778 13.569 5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.928 14.525 4.567 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.211 15.561 5.160 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.915 16.438 1.829 1.00 0.00 H new ATOM 0 HD22 ASN A 85 3.432 16.948 3.450 1.00 0.00 H new ATOM 1166 N ASP A 86 3.473 12.195 7.229 1.00 0.00 N ATOM 1167 CA ASP A 86 3.198 11.992 8.646 1.00 0.00 C ATOM 1168 C ASP A 86 1.700 12.064 8.926 1.00 0.00 C ATOM 1169 O ASP A 86 1.275 12.611 9.943 1.00 0.00 O ATOM 1170 CB ASP A 86 3.936 13.036 9.485 1.00 0.00 C ATOM 1171 CG ASP A 86 5.361 13.254 9.015 1.00 0.00 C ATOM 1172 OD1 ASP A 86 6.102 12.257 8.886 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.736 14.421 8.777 1.00 0.00 O ATOM 0 H ASP A 86 3.734 11.348 6.725 1.00 0.00 H new ATOM 0 HA ASP A 86 3.553 10.999 8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.394 13.981 9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.945 12.720 10.528 1.00 0.00 H new ATOM 1178 N GLU A 87 0.906 11.508 8.015 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.544 11.512 8.164 1.00 0.00 C ATOM 1180 C GLU A 87 -1.148 10.212 7.639 1.00 0.00 C ATOM 1181 O GLU A 87 -0.710 9.679 6.619 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.153 12.706 7.423 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.233 13.968 8.266 1.00 0.00 C ATOM 1184 CD GLU A 87 -1.830 15.137 7.507 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -1.264 15.518 6.462 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -2.864 15.671 7.961 1.00 0.00 O ATOM 0 H GLU A 87 1.242 11.050 7.168 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.774 11.597 9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.560 12.911 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.155 12.441 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.834 13.770 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.234 14.235 8.610 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.155 9.708 8.343 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.821 8.471 7.950 1.00 0.00 C ATOM 1195 C HIS A 88 -3.959 8.753 6.974 1.00 0.00 C ATOM 1196 O HIS A 88 -5.000 9.287 7.359 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.357 7.740 9.181 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.403 6.731 9.742 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.444 5.392 9.411 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.377 6.871 10.614 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.485 4.752 10.056 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.823 5.627 10.793 1.00 0.00 N ATOM 0 H HIS A 88 -2.529 10.137 9.190 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.088 7.836 7.452 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.594 8.472 9.953 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.289 7.240 8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.054 7.789 11.082 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.277 3.694 9.992 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.029 5.413 11.397 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.754 8.391 5.712 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.764 8.605 4.683 1.00 0.00 C ATOM 1212 C ILE A 89 -6.008 7.764 4.951 1.00 0.00 C ATOM 1213 O ILE A 89 -5.968 6.761 5.663 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.221 8.267 3.283 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.260 7.080 3.357 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.529 9.479 2.676 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.016 6.415 2.021 1.00 0.00 C ATOM 0 H ILE A 89 -2.898 7.948 5.378 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.029 9.662 4.715 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.059 7.992 2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.307 7.419 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.660 6.342 4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.150 9.224 1.686 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.241 10.300 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.699 9.782 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.325 5.582 2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.960 6.045 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.587 7.138 1.328 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.140 8.182 4.366 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.418 7.479 4.523 1.00 0.00 C ATOM 1231 C PRO A 90 -8.430 6.131 3.812 1.00 0.00 C ATOM 1232 O PRO A 90 -9.448 5.440 3.789 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.428 8.432 3.881 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.632 9.225 2.902 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.262 9.369 3.503 1.00 0.00 C ATOM 0 HA PRO A 90 -8.632 7.250 5.567 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.231 7.884 3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.894 9.076 4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.584 8.719 1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.087 10.200 2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.487 9.390 2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.169 10.292 4.075 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.292 5.763 3.231 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.173 4.496 2.518 1.00 0.00 C ATOM 1245 C GLU A 91 -6.218 3.551 3.242 1.00 0.00 C ATOM 1246 O GLU A 91 -6.148 2.363 2.929 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.687 4.734 1.088 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.754 5.306 0.169 1.00 0.00 C ATOM 1249 CD GLU A 91 -8.203 6.692 0.588 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -7.419 7.648 0.414 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -9.340 6.821 1.090 1.00 0.00 O ATOM 0 H GLU A 91 -6.440 6.324 3.240 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.159 4.033 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.836 5.415 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.330 3.792 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.368 5.346 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.615 4.637 0.157 1.00 0.00 H new ATOM 1258 N SER A 92 -5.483 4.090 4.210 1.00 0.00 N ATOM 1259 CA SER A 92 -4.527 3.297 4.975 1.00 0.00 C ATOM 1260 C SER A 92 -4.950 3.202 6.437 1.00 0.00 C ATOM 1261 O SER A 92 -5.662 4.058 6.962 1.00 0.00 O ATOM 1262 CB SER A 92 -3.129 3.909 4.875 1.00 0.00 C ATOM 1263 OG SER A 92 -2.895 4.823 5.932 1.00 0.00 O ATOM 0 H SER A 92 -5.531 5.072 4.483 1.00 0.00 H new ATOM 0 HA SER A 92 -4.506 2.292 4.554 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.380 3.118 4.902 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.020 4.419 3.918 1.00 0.00 H new ATOM 0 HG SER A 92 -2.176 5.439 5.679 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.501 2.135 7.114 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.652 1.108 6.500 1.00 0.00 C ATOM 1271 C PRO A 93 -4.410 0.266 5.479 1.00 0.00 C ATOM 1272 O PRO A 93 -5.596 0.485 5.235 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.221 0.247 7.690 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.295 0.436 8.704 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.786 1.847 8.530 1.00 0.00 C ATOM 0 HA PRO A 93 -2.819 1.543 5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.125 -0.801 7.406 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.252 0.563 8.076 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.103 -0.280 8.554 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.912 0.278 9.712 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.850 1.932 8.751 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.266 2.538 9.193 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.716 -0.700 4.886 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.323 -1.574 3.890 1.00 0.00 C ATOM 1285 C TYR A 94 -4.253 -3.033 4.331 1.00 0.00 C ATOM 1286 O TYR A 94 -3.339 -3.433 5.054 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.625 -1.405 2.539 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.756 -0.014 1.960 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.062 1.057 2.509 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.574 0.229 0.864 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.179 2.329 1.985 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.696 1.498 0.332 1.00 0.00 C ATOM 1293 CZ TYR A 94 -3.997 2.544 0.896 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.116 3.810 0.368 1.00 0.00 O ATOM 0 H TYR A 94 -2.734 -0.897 5.078 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.371 -1.293 3.788 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.568 -1.644 2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.040 -2.124 1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.419 0.892 3.361 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.124 -0.588 0.420 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.633 3.150 2.425 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.336 1.670 -0.521 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.237 4.125 0.072 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.226 -3.824 3.891 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.276 -5.240 4.239 1.00 0.00 C ATOM 1306 C LEU A 95 -5.143 -6.112 2.994 1.00 0.00 C ATOM 1307 O LEU A 95 -6.043 -6.158 2.156 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.585 -5.561 4.961 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.680 -6.950 5.594 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.423 -7.261 6.392 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.914 -7.052 6.477 1.00 0.00 C ATOM 0 H LEU A 95 -5.990 -3.509 3.293 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.439 -5.456 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.738 -4.817 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.405 -5.450 4.251 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.769 -7.686 4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.509 -8.253 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.556 -7.232 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.301 -6.520 7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.964 -8.047 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.857 -6.306 7.270 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.807 -6.876 5.877 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.014 -6.804 2.880 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.763 -7.677 1.740 1.00 0.00 C ATOM 1325 C VAL A 96 -3.721 -9.141 2.167 1.00 0.00 C ATOM 1326 O VAL A 96 -2.741 -9.619 2.738 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.439 -7.321 1.041 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.255 -8.159 -0.215 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.393 -5.835 0.712 1.00 0.00 C ATOM 0 H VAL A 96 -3.258 -6.777 3.564 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.586 -7.528 1.041 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.618 -7.545 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.313 -7.893 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.240 -9.216 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.079 -7.970 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.450 -5.601 0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.222 -5.583 0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.474 -5.256 1.632 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.811 -9.870 1.885 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.924 -11.291 2.230 1.00 0.00 C ATOM 1341 C PRO A 97 -4.001 -12.167 1.391 1.00 0.00 C ATOM 1342 O PRO A 97 -4.387 -12.652 0.327 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.389 -11.614 1.926 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.793 -10.616 0.897 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.018 -9.365 1.207 1.00 0.00 C ATOM 0 HA PRO A 97 -4.636 -11.483 3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.501 -12.633 1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.006 -11.532 2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.567 -10.977 -0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.866 -10.430 0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.768 -8.812 0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.585 -8.689 1.847 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.779 -12.364 1.874 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.800 -13.183 1.169 1.00 0.00 C ATOM 1355 C VAL A 98 -2.032 -14.666 1.434 1.00 0.00 C ATOM 1356 O VAL A 98 -2.438 -15.056 2.529 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.361 -12.819 1.581 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.642 -13.697 0.851 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.088 -11.346 1.314 1.00 0.00 C ATOM 0 H VAL A 98 -2.443 -11.967 2.752 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.927 -12.982 0.105 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.251 -12.997 2.651 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.653 -13.425 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.458 -14.743 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.536 -13.554 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.933 -11.106 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.215 -11.139 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.786 -10.737 1.888 1.00 0.00 H new ATOM 1369 N ILE A 99 -1.772 -15.489 0.424 1.00 0.00 N ATOM 1370 CA ILE A 99 -1.950 -16.931 0.548 1.00 0.00 C ATOM 1371 C ILE A 99 -0.819 -17.686 -0.142 1.00 0.00 C ATOM 1372 O ILE A 99 -0.225 -17.195 -1.100 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.296 -17.385 -0.051 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.366 -17.024 -1.536 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.453 -16.754 0.709 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.272 -17.931 -2.336 1.00 0.00 C ATOM 0 H ILE A 99 -1.437 -15.182 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.939 -17.160 1.614 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.373 -18.468 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.715 -15.996 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.362 -17.062 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.397 -17.084 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.410 -17.057 1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.383 -15.668 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.273 -17.616 -3.379 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.912 -18.958 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.286 -17.875 -1.939 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.528 -18.885 0.353 1.00 0.00 N ATOM 1389 CA ALA A 100 0.530 -19.710 -0.217 1.00 0.00 C ATOM 1390 C ALA A 100 0.052 -20.418 -1.480 1.00 0.00 C ATOM 1391 O ALA A 100 -0.809 -21.297 -1.442 1.00 0.00 O ATOM 1392 CB ALA A 100 1.017 -20.726 0.806 1.00 0.00 C ATOM 0 H ALA A 100 -1.010 -19.306 1.147 1.00 0.00 H new ATOM 0 HA ALA A 100 1.360 -19.057 -0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.807 -21.335 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.405 -20.204 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.188 -21.368 1.105 1.00 0.00 H new ATOM 1398 N PRO A 101 0.622 -20.026 -2.630 1.00 0.00 N ATOM 1399 CA PRO A 101 0.269 -20.610 -3.928 1.00 0.00 C ATOM 1400 C PRO A 101 0.752 -22.050 -4.066 1.00 0.00 C ATOM 1401 O PRO A 101 1.953 -22.315 -4.056 1.00 0.00 O ATOM 1402 CB PRO A 101 0.990 -19.705 -4.931 1.00 0.00 C ATOM 1403 CG PRO A 101 2.133 -19.131 -4.169 1.00 0.00 C ATOM 1404 CD PRO A 101 1.654 -18.983 -2.752 1.00 0.00 C ATOM 0 HA PRO A 101 -0.810 -20.657 -4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.335 -20.270 -5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.330 -18.922 -5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.004 -19.785 -4.220 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.433 -18.168 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.463 -19.132 -2.037 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.245 -17.990 -2.568 1.00 0.00 H new