USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=13 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 83 LYS NZ :NH3+ -140:sc= -0.0531 (180deg=-0.56) USER MOD Set 1.2: A 88 HIS : no HE2:sc= -2.02! X(o=-0.88!,f=-0.92) USER MOD Set 1.3: A 92 SER OG : rot -175:sc= 1.2 USER MOD Single : A 12 HIS : no HD1:sc= -2.47 K(o=-2.5,f=-3.4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 39:sc= 0.103 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 6:sc= 0.364 USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= -0.125 (180deg=-0.512) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0683 USER MOD Single : A 70 TYR OH : rot -151:sc= -0.0859 USER MOD Single : A 73 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.43) USER MOD Single : A 77 ASN : amide:sc= -0.562 K(o=-0.56,f=-5.8!) USER MOD Single : A 78 TYR OH : rot 31:sc= 0.703 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.639 K(o=-0.64,f=-2.3!) USER MOD Single : A 94 TYR OH : rot 50:sc= -2.42 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -2.786 17.330 0.667 1.00 0.00 N ATOM 89 CA GLY A 10 -3.202 16.704 1.908 1.00 0.00 C ATOM 90 C GLY A 10 -3.377 15.204 1.769 1.00 0.00 C ATOM 91 O GLY A 10 -3.739 14.711 0.701 1.00 0.00 O ATOM 0 HA2 GLY A 10 -2.462 16.911 2.682 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.141 17.148 2.238 1.00 0.00 H new ATOM 95 N ALA A 11 -3.119 14.477 2.852 1.00 0.00 N ATOM 96 CA ALA A 11 -3.250 13.026 2.847 1.00 0.00 C ATOM 97 C ALA A 11 -4.542 12.594 2.159 1.00 0.00 C ATOM 98 O ALA A 11 -4.543 11.669 1.345 1.00 0.00 O ATOM 99 CB ALA A 11 -3.202 12.485 4.268 1.00 0.00 C ATOM 0 H ALA A 11 -2.818 14.870 3.744 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.412 12.613 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.301 11.400 4.248 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.251 12.754 4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.019 12.913 4.848 1.00 0.00 H new ATOM 105 N HIS A 12 -5.637 13.268 2.490 1.00 0.00 N ATOM 106 CA HIS A 12 -6.935 12.954 1.903 1.00 0.00 C ATOM 107 C HIS A 12 -6.871 13.011 0.381 1.00 0.00 C ATOM 108 O HIS A 12 -7.516 12.219 -0.309 1.00 0.00 O ATOM 109 CB HIS A 12 -8.000 13.923 2.418 1.00 0.00 C ATOM 110 CG HIS A 12 -7.743 15.350 2.038 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.800 16.138 2.664 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.312 16.129 1.089 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.802 17.340 2.117 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.710 17.361 1.158 1.00 0.00 N ATOM 0 H HIS A 12 -5.652 14.035 3.162 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.204 11.940 2.200 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.973 13.621 2.030 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.053 13.848 3.504 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.094 15.836 0.405 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.169 18.166 2.405 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.928 18.162 0.565 1.00 0.00 H new ATOM 122 N LYS A 13 -6.091 13.951 -0.139 1.00 0.00 N ATOM 123 CA LYS A 13 -5.943 14.113 -1.581 1.00 0.00 C ATOM 124 C LYS A 13 -5.232 12.909 -2.192 1.00 0.00 C ATOM 125 O LYS A 13 -5.559 12.478 -3.298 1.00 0.00 O ATOM 126 CB LYS A 13 -5.162 15.391 -1.894 1.00 0.00 C ATOM 127 CG LYS A 13 -5.918 16.664 -1.552 1.00 0.00 C ATOM 128 CD LYS A 13 -6.793 17.121 -2.706 1.00 0.00 C ATOM 129 CE LYS A 13 -8.102 16.346 -2.753 1.00 0.00 C ATOM 130 NZ LYS A 13 -9.166 17.097 -3.475 1.00 0.00 N ATOM 0 H LYS A 13 -5.550 14.614 0.417 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.939 14.187 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.222 15.377 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.909 15.402 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.536 16.495 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.209 17.452 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.003 18.186 -2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.257 16.989 -3.646 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.938 15.386 -3.243 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.434 16.132 -1.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.041 16.536 -3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.341 18.002 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.860 17.279 -4.452 1.00 0.00 H new ATOM 144 N VAL A 14 -4.259 12.370 -1.465 1.00 0.00 N ATOM 145 CA VAL A 14 -3.504 11.213 -1.934 1.00 0.00 C ATOM 146 C VAL A 14 -4.407 9.996 -2.093 1.00 0.00 C ATOM 147 O VAL A 14 -5.391 9.841 -1.369 1.00 0.00 O ATOM 148 CB VAL A 14 -2.354 10.864 -0.970 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.667 9.578 -1.402 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.359 12.011 -0.892 1.00 0.00 C ATOM 0 H VAL A 14 -3.974 12.716 -0.549 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.085 11.480 -2.904 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.771 10.707 0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.858 9.348 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.389 8.762 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.261 9.702 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.553 11.748 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.945 12.202 -1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.864 12.907 -0.531 1.00 0.00 H new ATOM 160 N ARG A 15 -4.066 9.133 -3.044 1.00 0.00 N ATOM 161 CA ARG A 15 -4.845 7.928 -3.299 1.00 0.00 C ATOM 162 C ARG A 15 -3.949 6.792 -3.785 1.00 0.00 C ATOM 163 O ARG A 15 -2.951 7.024 -4.467 1.00 0.00 O ATOM 164 CB ARG A 15 -5.935 8.210 -4.334 1.00 0.00 C ATOM 165 CG ARG A 15 -7.178 7.352 -4.159 1.00 0.00 C ATOM 166 CD ARG A 15 -8.159 7.984 -3.184 1.00 0.00 C ATOM 167 NE ARG A 15 -9.494 7.404 -3.297 1.00 0.00 N ATOM 168 CZ ARG A 15 -10.511 7.743 -2.513 1.00 0.00 C ATOM 169 NH1 ARG A 15 -10.347 8.655 -1.566 1.00 0.00 N ATOM 170 NH2 ARG A 15 -11.697 7.169 -2.678 1.00 0.00 N ATOM 0 H ARG A 15 -3.254 9.246 -3.651 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.312 7.623 -2.362 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.218 9.261 -4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.528 8.046 -5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.663 7.211 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.892 6.364 -3.799 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.792 7.854 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.213 9.057 -3.369 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.654 6.700 -4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.438 9.099 -1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.130 8.913 -0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.827 6.468 -3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.478 7.430 -2.076 1.00 0.00 H new ATOM 184 N ALA A 16 -4.312 5.565 -3.428 1.00 0.00 N ATOM 185 CA ALA A 16 -3.543 4.394 -3.828 1.00 0.00 C ATOM 186 C ALA A 16 -4.457 3.278 -4.321 1.00 0.00 C ATOM 187 O ALA A 16 -5.672 3.329 -4.134 1.00 0.00 O ATOM 188 CB ALA A 16 -2.686 3.904 -2.670 1.00 0.00 C ATOM 0 H ALA A 16 -5.135 5.356 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.890 4.684 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.117 3.029 -2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.999 4.694 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.327 3.638 -1.830 1.00 0.00 H new ATOM 222 N GLY A 20 -1.669 -5.210 -6.568 1.00 0.00 N ATOM 223 CA GLY A 20 -0.894 -5.752 -5.466 1.00 0.00 C ATOM 224 C GLY A 20 -1.646 -5.706 -4.150 1.00 0.00 C ATOM 225 O GLY A 20 -1.421 -6.536 -3.268 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.622 -6.784 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.036 -5.191 -5.369 1.00 0.00 H new ATOM 229 N LEU A 21 -2.539 -4.732 -4.016 1.00 0.00 N ATOM 230 CA LEU A 21 -3.325 -4.579 -2.797 1.00 0.00 C ATOM 231 C LEU A 21 -4.533 -5.511 -2.806 1.00 0.00 C ATOM 232 O LEU A 21 -4.983 -5.969 -1.757 1.00 0.00 O ATOM 233 CB LEU A 21 -3.789 -3.128 -2.645 1.00 0.00 C ATOM 234 CG LEU A 21 -2.684 -2.080 -2.516 1.00 0.00 C ATOM 235 CD1 LEU A 21 -3.241 -0.684 -2.747 1.00 0.00 C ATOM 236 CD2 LEU A 21 -2.020 -2.172 -1.149 1.00 0.00 C ATOM 0 H LEU A 21 -2.737 -4.037 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.691 -4.844 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.405 -2.873 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.429 -3.063 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.931 -2.278 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.439 0.048 -2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.669 -0.624 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.014 -0.474 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.236 -1.419 -1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.764 -2.000 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.585 -3.163 -1.022 1.00 0.00 H new ATOM 248 N GLU A 22 -5.048 -5.792 -3.999 1.00 0.00 N ATOM 249 CA GLU A 22 -6.202 -6.672 -4.143 1.00 0.00 C ATOM 250 C GLU A 22 -5.980 -7.986 -3.400 1.00 0.00 C ATOM 251 O GLU A 22 -6.779 -8.370 -2.546 1.00 0.00 O ATOM 252 CB GLU A 22 -6.476 -6.951 -5.623 1.00 0.00 C ATOM 253 CG GLU A 22 -6.703 -5.694 -6.447 1.00 0.00 C ATOM 254 CD GLU A 22 -7.617 -5.932 -7.633 1.00 0.00 C ATOM 255 OE1 GLU A 22 -8.802 -6.259 -7.411 1.00 0.00 O ATOM 256 OE2 GLU A 22 -7.148 -5.792 -8.782 1.00 0.00 O ATOM 0 H GLU A 22 -4.685 -5.424 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.066 -6.170 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.635 -7.503 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.352 -7.594 -5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.133 -4.920 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.743 -5.318 -6.802 1.00 0.00 H new ATOM 263 N ARG A 23 -4.891 -8.670 -3.732 1.00 0.00 N ATOM 264 CA ARG A 23 -4.564 -9.942 -3.097 1.00 0.00 C ATOM 265 C ARG A 23 -3.093 -10.292 -3.307 1.00 0.00 C ATOM 266 O ARG A 23 -2.557 -10.132 -4.402 1.00 0.00 O ATOM 267 CB ARG A 23 -5.450 -11.057 -3.655 1.00 0.00 C ATOM 268 CG ARG A 23 -5.723 -12.173 -2.660 1.00 0.00 C ATOM 269 CD ARG A 23 -6.065 -13.476 -3.366 1.00 0.00 C ATOM 270 NE ARG A 23 -7.500 -13.606 -3.609 1.00 0.00 N ATOM 271 CZ ARG A 23 -8.120 -13.068 -4.653 1.00 0.00 C ATOM 272 NH1 ARG A 23 -7.434 -12.368 -5.547 1.00 0.00 N ATOM 273 NH2 ARG A 23 -9.427 -13.230 -4.806 1.00 0.00 N ATOM 0 H ARG A 23 -4.220 -8.366 -4.437 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.747 -9.844 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.399 -10.629 -3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.974 -11.479 -4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.848 -12.320 -2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.546 -11.885 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.531 -13.526 -4.315 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.722 -14.316 -2.763 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.056 -14.139 -2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.428 -12.242 -5.433 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.912 -11.956 -6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.958 -13.768 -4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.902 -12.816 -5.608 1.00 0.00 H new ATOM 287 N GLY A 24 -2.447 -10.769 -2.248 1.00 0.00 N ATOM 288 CA GLY A 24 -1.045 -11.134 -2.336 1.00 0.00 C ATOM 289 C GLY A 24 -0.829 -12.632 -2.249 1.00 0.00 C ATOM 290 O GLY A 24 -1.727 -13.372 -1.850 1.00 0.00 O ATOM 0 H GLY A 24 -2.869 -10.909 -1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.635 -10.765 -3.276 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.494 -10.643 -1.534 1.00 0.00 H new ATOM 294 N GLU A 25 0.365 -13.079 -2.626 1.00 0.00 N ATOM 295 CA GLU A 25 0.694 -14.499 -2.591 1.00 0.00 C ATOM 296 C GLU A 25 2.021 -14.733 -1.876 1.00 0.00 C ATOM 297 O GLU A 25 3.020 -14.075 -2.167 1.00 0.00 O ATOM 298 CB GLU A 25 0.761 -15.065 -4.011 1.00 0.00 C ATOM 299 CG GLU A 25 -0.571 -15.590 -4.520 1.00 0.00 C ATOM 300 CD GLU A 25 -0.681 -15.535 -6.032 1.00 0.00 C ATOM 301 OE1 GLU A 25 0.369 -15.606 -6.704 1.00 0.00 O ATOM 302 OE2 GLU A 25 -1.815 -15.420 -6.541 1.00 0.00 O ATOM 0 H GLU A 25 1.120 -12.479 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.092 -15.014 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.118 -14.288 -4.687 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.494 -15.871 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.703 -16.620 -4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.379 -15.007 -4.079 1.00 0.00 H new ATOM 309 N ALA A 26 2.024 -15.673 -0.937 1.00 0.00 N ATOM 310 CA ALA A 26 3.228 -15.995 -0.181 1.00 0.00 C ATOM 311 C ALA A 26 4.354 -16.444 -1.107 1.00 0.00 C ATOM 312 O ALA A 26 4.211 -17.414 -1.848 1.00 0.00 O ATOM 313 CB ALA A 26 2.931 -17.072 0.852 1.00 0.00 C ATOM 0 H ALA A 26 1.205 -16.225 -0.681 1.00 0.00 H new ATOM 0 HA ALA A 26 3.555 -15.092 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.839 -17.302 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.164 -16.715 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.576 -17.971 0.348 1.00 0.00 H new ATOM 319 N GLY A 27 5.474 -15.730 -1.057 1.00 0.00 N ATOM 320 CA GLY A 27 6.608 -16.069 -1.897 1.00 0.00 C ATOM 321 C GLY A 27 6.659 -15.243 -3.166 1.00 0.00 C ATOM 322 O GLY A 27 7.719 -15.082 -3.771 1.00 0.00 O ATOM 0 H GLY A 27 5.617 -14.923 -0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.530 -15.921 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.560 -17.126 -2.157 1.00 0.00 H new ATOM 326 N VAL A 28 5.508 -14.715 -3.573 1.00 0.00 N ATOM 327 CA VAL A 28 5.424 -13.901 -4.779 1.00 0.00 C ATOM 328 C VAL A 28 5.447 -12.414 -4.441 1.00 0.00 C ATOM 329 O VAL A 28 4.722 -11.941 -3.566 1.00 0.00 O ATOM 330 CB VAL A 28 4.148 -14.214 -5.581 1.00 0.00 C ATOM 331 CG1 VAL A 28 4.043 -13.304 -6.796 1.00 0.00 C ATOM 332 CG2 VAL A 28 4.127 -15.677 -5.998 1.00 0.00 C ATOM 0 H VAL A 28 4.621 -14.837 -3.084 1.00 0.00 H new ATOM 0 HA VAL A 28 6.295 -14.146 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 28 3.284 -14.029 -4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.135 -13.540 -7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.009 -12.264 -6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.910 -13.454 -7.439 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.218 -15.881 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.997 -15.891 -6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.151 -16.309 -5.110 1.00 0.00 H new ATOM 342 N PRO A 29 6.298 -11.658 -5.151 1.00 0.00 N ATOM 343 CA PRO A 29 6.434 -10.214 -4.945 1.00 0.00 C ATOM 344 C PRO A 29 5.205 -9.443 -5.412 1.00 0.00 C ATOM 345 O PRO A 29 4.759 -9.598 -6.549 1.00 0.00 O ATOM 346 CB PRO A 29 7.651 -9.847 -5.797 1.00 0.00 C ATOM 347 CG PRO A 29 7.705 -10.897 -6.852 1.00 0.00 C ATOM 348 CD PRO A 29 7.192 -12.156 -6.210 1.00 0.00 C ATOM 0 HA PRO A 29 6.543 -9.962 -3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.544 -8.853 -6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.563 -9.838 -5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.093 -10.619 -7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.723 -11.032 -7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.659 -12.783 -6.924 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.003 -12.758 -5.801 1.00 0.00 H new ATOM 356 N ALA A 30 4.661 -8.611 -4.530 1.00 0.00 N ATOM 357 CA ALA A 30 3.485 -7.814 -4.854 1.00 0.00 C ATOM 358 C ALA A 30 3.788 -6.323 -4.755 1.00 0.00 C ATOM 359 O ALA A 30 3.840 -5.763 -3.661 1.00 0.00 O ATOM 360 CB ALA A 30 2.329 -8.182 -3.935 1.00 0.00 C ATOM 0 H ALA A 30 5.017 -8.472 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 30 3.201 -8.032 -5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.457 -7.579 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.088 -9.238 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.613 -7.993 -2.900 1.00 0.00 H new ATOM 366 N GLU A 31 3.987 -5.686 -5.906 1.00 0.00 N ATOM 367 CA GLU A 31 4.287 -4.260 -5.946 1.00 0.00 C ATOM 368 C GLU A 31 3.098 -3.469 -6.485 1.00 0.00 C ATOM 369 O GLU A 31 2.426 -3.900 -7.424 1.00 0.00 O ATOM 370 CB GLU A 31 5.521 -4.000 -6.812 1.00 0.00 C ATOM 371 CG GLU A 31 5.596 -4.884 -8.045 1.00 0.00 C ATOM 372 CD GLU A 31 6.510 -4.317 -9.114 1.00 0.00 C ATOM 373 OE1 GLU A 31 6.421 -3.103 -9.388 1.00 0.00 O ATOM 374 OE2 GLU A 31 7.315 -5.089 -9.677 1.00 0.00 O ATOM 0 H GLU A 31 3.946 -6.135 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 31 4.490 -3.929 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.522 -2.955 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.416 -4.154 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.950 -5.874 -7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.595 -5.011 -8.458 1.00 0.00 H new ATOM 381 N PHE A 32 2.842 -2.312 -5.884 1.00 0.00 N ATOM 382 CA PHE A 32 1.734 -1.462 -6.302 1.00 0.00 C ATOM 383 C PHE A 32 2.246 -0.146 -6.880 1.00 0.00 C ATOM 384 O PHE A 32 3.412 0.208 -6.709 1.00 0.00 O ATOM 385 CB PHE A 32 0.802 -1.184 -5.120 1.00 0.00 C ATOM 386 CG PHE A 32 1.528 -0.802 -3.862 1.00 0.00 C ATOM 387 CD1 PHE A 32 2.204 -1.757 -3.120 1.00 0.00 C ATOM 388 CD2 PHE A 32 1.534 0.511 -3.422 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.871 -1.407 -1.961 1.00 0.00 C ATOM 390 CE2 PHE A 32 2.200 0.867 -2.264 1.00 0.00 C ATOM 391 CZ PHE A 32 2.871 -0.094 -1.533 1.00 0.00 C ATOM 0 H PHE A 32 3.387 -1.942 -5.106 1.00 0.00 H new ATOM 0 HA PHE A 32 1.178 -1.988 -7.078 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.114 -0.383 -5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.199 -2.071 -4.927 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.210 -2.785 -3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.012 1.266 -3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.392 -2.161 -1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.196 1.895 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.394 0.181 -0.629 1.00 0.00 H new ATOM 401 N SER A 33 1.365 0.575 -7.566 1.00 0.00 N ATOM 402 CA SER A 33 1.727 1.850 -8.175 1.00 0.00 C ATOM 403 C SER A 33 1.178 3.016 -7.358 1.00 0.00 C ATOM 404 O SER A 33 -0.009 3.054 -7.032 1.00 0.00 O ATOM 405 CB SER A 33 1.201 1.923 -9.609 1.00 0.00 C ATOM 406 OG SER A 33 -0.211 1.801 -9.642 1.00 0.00 O ATOM 0 H SER A 33 0.395 0.298 -7.714 1.00 0.00 H new ATOM 0 HA SER A 33 2.815 1.921 -8.192 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.498 2.870 -10.061 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.652 1.130 -10.206 1.00 0.00 H new ATOM 0 HG SER A 33 -0.599 2.289 -8.886 1.00 0.00 H new ATOM 412 N ILE A 34 2.049 3.966 -7.034 1.00 0.00 N ATOM 413 CA ILE A 34 1.652 5.133 -6.258 1.00 0.00 C ATOM 414 C ILE A 34 1.439 6.345 -7.159 1.00 0.00 C ATOM 415 O ILE A 34 2.367 6.811 -7.819 1.00 0.00 O ATOM 416 CB ILE A 34 2.703 5.482 -5.188 1.00 0.00 C ATOM 417 CG1 ILE A 34 2.896 4.306 -4.229 1.00 0.00 C ATOM 418 CG2 ILE A 34 2.288 6.731 -4.425 1.00 0.00 C ATOM 419 CD1 ILE A 34 4.205 4.352 -3.472 1.00 0.00 C ATOM 0 H ILE A 34 3.034 3.950 -7.297 1.00 0.00 H new ATOM 0 HA ILE A 34 0.714 4.880 -5.765 1.00 0.00 H new ATOM 0 HB ILE A 34 3.653 5.682 -5.685 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.073 4.291 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.845 3.375 -4.794 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.041 6.965 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.196 7.567 -5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.329 6.557 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.274 3.488 -2.811 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.035 4.335 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.251 5.266 -2.880 1.00 0.00 H new ATOM 549 N LEU A 44 6.923 9.658 1.609 1.00 0.00 N ATOM 550 CA LEU A 44 6.020 8.526 1.776 1.00 0.00 C ATOM 551 C LEU A 44 6.626 7.478 2.705 1.00 0.00 C ATOM 552 O LEU A 44 7.835 7.246 2.690 1.00 0.00 O ATOM 553 CB LEU A 44 5.700 7.897 0.419 1.00 0.00 C ATOM 554 CG LEU A 44 4.500 8.483 -0.327 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.477 7.995 -1.767 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.203 8.121 0.382 1.00 0.00 C ATOM 0 HA LEU A 44 5.097 8.893 2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.579 7.990 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.525 6.831 0.567 1.00 0.00 H new ATOM 0 HG LEU A 44 4.596 9.569 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.617 8.422 -2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.392 8.305 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.406 6.907 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.360 8.546 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.100 7.037 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.219 8.521 1.396 1.00 0.00 H new ATOM 568 N SER A 45 5.779 6.846 3.510 1.00 0.00 N ATOM 569 CA SER A 45 6.231 5.825 4.447 1.00 0.00 C ATOM 570 C SER A 45 5.333 4.593 4.382 1.00 0.00 C ATOM 571 O SER A 45 4.107 4.704 4.396 1.00 0.00 O ATOM 572 CB SER A 45 6.251 6.382 5.872 1.00 0.00 C ATOM 573 OG SER A 45 6.972 5.527 6.743 1.00 0.00 O ATOM 0 H SER A 45 4.775 7.023 3.532 1.00 0.00 H new ATOM 0 HA SER A 45 7.242 5.531 4.166 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.705 7.373 5.872 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.230 6.499 6.235 1.00 0.00 H new ATOM 0 HG SER A 45 6.972 5.905 7.647 1.00 0.00 H new ATOM 579 N ILE A 46 5.954 3.420 4.311 1.00 0.00 N ATOM 580 CA ILE A 46 5.212 2.167 4.245 1.00 0.00 C ATOM 581 C ILE A 46 5.697 1.184 5.305 1.00 0.00 C ATOM 582 O ILE A 46 6.886 1.132 5.619 1.00 0.00 O ATOM 583 CB ILE A 46 5.336 1.511 2.857 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.716 2.411 1.786 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.672 0.142 2.856 1.00 0.00 C ATOM 586 CD1 ILE A 46 5.254 2.154 0.396 1.00 0.00 C ATOM 0 H ILE A 46 6.968 3.311 4.298 1.00 0.00 H new ATOM 0 HA ILE A 46 4.166 2.410 4.430 1.00 0.00 H new ATOM 0 HB ILE A 46 6.393 1.380 2.627 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.636 2.266 1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.896 3.453 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.768 -0.308 1.868 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.155 -0.497 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.616 0.250 3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.770 2.827 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.330 2.328 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.050 1.122 0.112 1.00 0.00 H new ATOM 598 N ALA A 47 4.769 0.405 5.851 1.00 0.00 N ATOM 599 CA ALA A 47 5.103 -0.579 6.874 1.00 0.00 C ATOM 600 C ALA A 47 4.245 -1.832 6.731 1.00 0.00 C ATOM 601 O ALA A 47 3.023 -1.777 6.865 1.00 0.00 O ATOM 602 CB ALA A 47 4.937 0.023 8.260 1.00 0.00 C ATOM 0 H ALA A 47 3.780 0.436 5.602 1.00 0.00 H new ATOM 0 HA ALA A 47 6.145 -0.868 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.190 -0.723 9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.598 0.883 8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.904 0.341 8.397 1.00 0.00 H new ATOM 608 N VAL A 48 4.893 -2.960 6.455 1.00 0.00 N ATOM 609 CA VAL A 48 4.189 -4.226 6.295 1.00 0.00 C ATOM 610 C VAL A 48 4.306 -5.084 7.550 1.00 0.00 C ATOM 611 O VAL A 48 5.368 -5.634 7.840 1.00 0.00 O ATOM 612 CB VAL A 48 4.729 -5.021 5.091 1.00 0.00 C ATOM 613 CG1 VAL A 48 3.949 -6.314 4.911 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.675 -4.175 3.828 1.00 0.00 C ATOM 0 H VAL A 48 5.904 -3.022 6.338 1.00 0.00 H new ATOM 0 HA VAL A 48 3.141 -3.984 6.121 1.00 0.00 H new ATOM 0 HB VAL A 48 5.770 -5.278 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.345 -6.862 4.056 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.045 -6.925 5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.898 -6.084 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.060 -4.752 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.643 -3.886 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.283 -3.280 3.963 1.00 0.00 H new ATOM 624 N GLU A 49 3.208 -5.193 8.291 1.00 0.00 N ATOM 625 CA GLU A 49 3.189 -5.983 9.515 1.00 0.00 C ATOM 626 C GLU A 49 2.174 -7.119 9.415 1.00 0.00 C ATOM 627 O GLU A 49 1.072 -6.937 8.898 1.00 0.00 O ATOM 628 CB GLU A 49 2.860 -5.096 10.717 1.00 0.00 C ATOM 629 CG GLU A 49 3.847 -3.959 10.924 1.00 0.00 C ATOM 630 CD GLU A 49 3.230 -2.774 11.640 1.00 0.00 C ATOM 631 OE1 GLU A 49 2.389 -2.083 11.028 1.00 0.00 O ATOM 632 OE2 GLU A 49 3.590 -2.535 12.812 1.00 0.00 O ATOM 0 H GLU A 49 2.321 -4.744 8.065 1.00 0.00 H new ATOM 0 HA GLU A 49 4.180 -6.415 9.652 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.861 -4.679 10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.835 -5.712 11.616 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.699 -4.323 11.499 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.230 -3.635 9.956 1.00 0.00 H new ATOM 639 N GLY A 50 2.555 -8.291 9.912 1.00 0.00 N ATOM 640 CA GLY A 50 1.668 -9.439 9.867 1.00 0.00 C ATOM 641 C GLY A 50 2.136 -10.568 10.764 1.00 0.00 C ATOM 642 O GLY A 50 2.902 -10.365 11.706 1.00 0.00 O ATOM 0 H GLY A 50 3.462 -8.466 10.345 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.666 -9.132 10.167 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.597 -9.800 8.841 1.00 0.00 H new ATOM 646 N PRO A 51 1.668 -11.792 10.474 1.00 0.00 N ATOM 647 CA PRO A 51 2.029 -12.982 11.250 1.00 0.00 C ATOM 648 C PRO A 51 3.487 -13.385 11.049 1.00 0.00 C ATOM 649 O PRO A 51 4.003 -14.252 11.753 1.00 0.00 O ATOM 650 CB PRO A 51 1.095 -14.062 10.700 1.00 0.00 C ATOM 651 CG PRO A 51 0.767 -13.610 9.318 1.00 0.00 C ATOM 652 CD PRO A 51 0.751 -12.107 9.367 1.00 0.00 C ATOM 0 HA PRO A 51 1.925 -12.816 12.322 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.579 -15.038 10.693 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.196 -14.156 11.310 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.508 -13.969 8.604 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.199 -14.000 8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.090 -11.671 8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.251 -11.722 9.554 1.00 0.00 H new ATOM 660 N SER A 52 4.144 -12.748 10.086 1.00 0.00 N ATOM 661 CA SER A 52 5.541 -13.042 9.791 1.00 0.00 C ATOM 662 C SER A 52 6.235 -11.828 9.179 1.00 0.00 C ATOM 663 O SER A 52 5.591 -10.837 8.836 1.00 0.00 O ATOM 664 CB SER A 52 5.643 -14.235 8.838 1.00 0.00 C ATOM 665 OG SER A 52 5.274 -15.439 9.488 1.00 0.00 O ATOM 0 H SER A 52 3.731 -12.025 9.497 1.00 0.00 H new ATOM 0 HA SER A 52 6.040 -13.290 10.728 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.998 -14.071 7.975 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.663 -14.318 8.462 1.00 0.00 H new ATOM 0 HG SER A 52 4.937 -15.236 10.386 1.00 0.00 H new ATOM 671 N LYS A 53 7.554 -11.914 9.044 1.00 0.00 N ATOM 672 CA LYS A 53 8.337 -10.825 8.474 1.00 0.00 C ATOM 673 C LYS A 53 8.164 -10.767 6.959 1.00 0.00 C ATOM 674 O LYS A 53 7.959 -11.791 6.308 1.00 0.00 O ATOM 675 CB LYS A 53 9.818 -10.997 8.822 1.00 0.00 C ATOM 676 CG LYS A 53 10.507 -12.094 8.027 1.00 0.00 C ATOM 677 CD LYS A 53 11.821 -12.505 8.667 1.00 0.00 C ATOM 678 CE LYS A 53 11.607 -13.535 9.766 1.00 0.00 C ATOM 679 NZ LYS A 53 11.107 -14.828 9.223 1.00 0.00 N ATOM 0 H LYS A 53 8.103 -12.727 9.322 1.00 0.00 H new ATOM 0 HA LYS A 53 7.976 -9.889 8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.335 -10.054 8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.909 -11.219 9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.849 -12.960 7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.689 -11.747 7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.485 -12.916 7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.316 -11.627 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.545 -13.702 10.295 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.895 -13.147 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.351 -15.597 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.074 -14.782 9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.547 -15.009 8.298 1.00 0.00 H new ATOM 693 N ALA A 54 8.251 -9.562 6.405 1.00 0.00 N ATOM 694 CA ALA A 54 8.107 -9.371 4.967 1.00 0.00 C ATOM 695 C ALA A 54 9.232 -8.502 4.414 1.00 0.00 C ATOM 696 O ALA A 54 9.658 -7.541 5.053 1.00 0.00 O ATOM 697 CB ALA A 54 6.755 -8.751 4.649 1.00 0.00 C ATOM 0 H ALA A 54 8.420 -8.704 6.930 1.00 0.00 H new ATOM 0 HA ALA A 54 8.168 -10.348 4.488 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.662 -8.614 3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.961 -9.409 5.001 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.672 -7.784 5.146 1.00 0.00 H new ATOM 703 N GLU A 55 9.709 -8.848 3.222 1.00 0.00 N ATOM 704 CA GLU A 55 10.786 -8.100 2.585 1.00 0.00 C ATOM 705 C GLU A 55 10.248 -6.842 1.907 1.00 0.00 C ATOM 706 O GLU A 55 9.067 -6.765 1.567 1.00 0.00 O ATOM 707 CB GLU A 55 11.508 -8.975 1.558 1.00 0.00 C ATOM 708 CG GLU A 55 12.959 -8.583 1.336 1.00 0.00 C ATOM 709 CD GLU A 55 13.109 -7.443 0.346 1.00 0.00 C ATOM 710 OE1 GLU A 55 12.656 -7.595 -0.808 1.00 0.00 O ATOM 711 OE2 GLU A 55 13.682 -6.400 0.725 1.00 0.00 O ATOM 0 H GLU A 55 9.367 -9.641 2.679 1.00 0.00 H new ATOM 0 HA GLU A 55 11.493 -7.802 3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.467 -10.014 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.976 -8.919 0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.403 -8.294 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.515 -9.449 0.975 1.00 0.00 H new ATOM 718 N ILE A 56 11.122 -5.860 1.717 1.00 0.00 N ATOM 719 CA ILE A 56 10.736 -4.607 1.081 1.00 0.00 C ATOM 720 C ILE A 56 11.868 -4.055 0.220 1.00 0.00 C ATOM 721 O ILE A 56 13.019 -3.993 0.654 1.00 0.00 O ATOM 722 CB ILE A 56 10.336 -3.546 2.124 1.00 0.00 C ATOM 723 CG1 ILE A 56 9.177 -4.056 2.984 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.958 -2.243 1.436 1.00 0.00 C ATOM 725 CD1 ILE A 56 9.008 -3.297 4.282 1.00 0.00 C ATOM 0 H ILE A 56 12.102 -5.908 1.994 1.00 0.00 H new ATOM 0 HA ILE A 56 9.876 -4.827 0.449 1.00 0.00 H new ATOM 0 HB ILE A 56 11.190 -3.357 2.774 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.253 -3.989 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.338 -5.111 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.678 -1.503 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.809 -1.874 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.116 -2.416 0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.169 -3.712 4.840 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.918 -3.385 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.816 -2.246 4.067 1.00 0.00 H new ATOM 737 N THR A 57 11.533 -3.653 -1.002 1.00 0.00 N ATOM 738 CA THR A 57 12.520 -3.106 -1.925 1.00 0.00 C ATOM 739 C THR A 57 12.122 -1.711 -2.390 1.00 0.00 C ATOM 740 O THR A 57 11.262 -1.557 -3.258 1.00 0.00 O ATOM 741 CB THR A 57 12.702 -4.014 -3.155 1.00 0.00 C ATOM 742 OG1 THR A 57 12.952 -5.361 -2.738 1.00 0.00 O ATOM 743 CG2 THR A 57 13.851 -3.525 -4.023 1.00 0.00 C ATOM 0 H THR A 57 10.585 -3.696 -1.376 1.00 0.00 H new ATOM 0 HA THR A 57 13.464 -3.049 -1.383 1.00 0.00 H new ATOM 0 HB THR A 57 11.784 -3.981 -3.742 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.065 -5.932 -3.526 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.960 -4.182 -4.886 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.644 -2.511 -4.363 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.774 -3.531 -3.443 1.00 0.00 H new ATOM 884 N VAL A 68 6.693 0.352 -5.099 1.00 0.00 N ATOM 885 CA VAL A 68 7.329 -0.411 -4.031 1.00 0.00 C ATOM 886 C VAL A 68 6.890 -1.870 -4.064 1.00 0.00 C ATOM 887 O VAL A 68 5.717 -2.172 -4.285 1.00 0.00 O ATOM 888 CB VAL A 68 7.004 0.181 -2.647 1.00 0.00 C ATOM 889 CG1 VAL A 68 7.585 -0.690 -1.544 1.00 0.00 C ATOM 890 CG2 VAL A 68 7.525 1.607 -2.543 1.00 0.00 C ATOM 0 HA VAL A 68 8.405 -0.354 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 68 5.921 0.204 -2.525 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.345 -0.256 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.159 -1.691 -1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.667 -0.748 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.287 2.010 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.606 1.611 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.056 2.223 -3.311 1.00 0.00 H new ATOM 900 N SER A 69 7.840 -2.773 -3.841 1.00 0.00 N ATOM 901 CA SER A 69 7.551 -4.203 -3.847 1.00 0.00 C ATOM 902 C SER A 69 7.668 -4.786 -2.442 1.00 0.00 C ATOM 903 O SER A 69 8.333 -4.220 -1.575 1.00 0.00 O ATOM 904 CB SER A 69 8.506 -4.932 -4.795 1.00 0.00 C ATOM 905 OG SER A 69 9.709 -5.285 -4.136 1.00 0.00 O ATOM 0 H SER A 69 8.815 -2.540 -3.654 1.00 0.00 H new ATOM 0 HA SER A 69 6.527 -4.342 -4.195 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.024 -5.829 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.730 -4.295 -5.651 1.00 0.00 H new ATOM 0 HG SER A 69 10.301 -5.751 -4.763 1.00 0.00 H new ATOM 911 N TYR A 70 7.015 -5.923 -2.225 1.00 0.00 N ATOM 912 CA TYR A 70 7.043 -6.584 -0.926 1.00 0.00 C ATOM 913 C TYR A 70 6.693 -8.063 -1.059 1.00 0.00 C ATOM 914 O TYR A 70 5.748 -8.428 -1.759 1.00 0.00 O ATOM 915 CB TYR A 70 6.068 -5.902 0.036 1.00 0.00 C ATOM 916 CG TYR A 70 4.619 -6.251 -0.221 1.00 0.00 C ATOM 917 CD1 TYR A 70 4.080 -7.445 0.240 1.00 0.00 C ATOM 918 CD2 TYR A 70 3.792 -5.387 -0.927 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.756 -7.768 0.008 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.467 -5.701 -1.163 1.00 0.00 C ATOM 921 CZ TYR A 70 1.954 -6.893 -0.694 1.00 0.00 C ATOM 922 OH TYR A 70 0.636 -7.210 -0.929 1.00 0.00 O ATOM 0 H TYR A 70 6.460 -6.405 -2.932 1.00 0.00 H new ATOM 0 HA TYR A 70 8.054 -6.504 -0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.324 -6.181 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.192 -4.822 -0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.706 -8.133 0.789 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.191 -4.454 -1.298 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.352 -8.700 0.374 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.836 -5.017 -1.712 1.00 0.00 H new ATOM 0 HH TYR A 70 0.339 -6.781 -1.759 1.00 0.00 H new ATOM 932 N ILE A 71 7.461 -8.909 -0.382 1.00 0.00 N ATOM 933 CA ILE A 71 7.232 -10.348 -0.422 1.00 0.00 C ATOM 934 C ILE A 71 6.954 -10.899 0.972 1.00 0.00 C ATOM 935 O ILE A 71 7.507 -10.422 1.961 1.00 0.00 O ATOM 936 CB ILE A 71 8.436 -11.093 -1.026 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.525 -10.830 -2.531 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.330 -12.585 -0.749 1.00 0.00 C ATOM 939 CD1 ILE A 71 9.853 -11.229 -3.137 1.00 0.00 C ATOM 0 H ILE A 71 8.248 -8.623 0.201 1.00 0.00 H new ATOM 0 HA ILE A 71 6.360 -10.511 -1.055 1.00 0.00 H new ATOM 0 HB ILE A 71 9.347 -10.720 -0.557 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.727 -11.375 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.354 -9.770 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.189 -13.097 -1.183 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.312 -12.755 0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.414 -12.973 -1.193 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.844 -11.014 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.655 -10.665 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.018 -12.295 -2.983 1.00 0.00 H new ATOM 951 N ALA A 72 6.093 -11.910 1.041 1.00 0.00 N ATOM 952 CA ALA A 72 5.744 -12.530 2.314 1.00 0.00 C ATOM 953 C ALA A 72 6.077 -14.018 2.309 1.00 0.00 C ATOM 954 O ALA A 72 5.373 -14.818 1.695 1.00 0.00 O ATOM 955 CB ALA A 72 4.268 -12.319 2.616 1.00 0.00 C ATOM 0 H ALA A 72 5.625 -12.317 0.231 1.00 0.00 H new ATOM 0 HA ALA A 72 6.336 -12.054 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.021 -12.787 3.569 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.057 -11.251 2.671 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.667 -12.768 1.825 1.00 0.00 H new ATOM 961 N GLN A 73 7.156 -14.380 2.996 1.00 0.00 N ATOM 962 CA GLN A 73 7.583 -15.772 3.070 1.00 0.00 C ATOM 963 C GLN A 73 6.432 -16.673 3.506 1.00 0.00 C ATOM 964 O GLN A 73 6.264 -17.777 2.988 1.00 0.00 O ATOM 965 CB GLN A 73 8.756 -15.918 4.041 1.00 0.00 C ATOM 966 CG GLN A 73 10.052 -15.318 3.522 1.00 0.00 C ATOM 967 CD GLN A 73 10.256 -15.559 2.040 1.00 0.00 C ATOM 968 OE1 GLN A 73 10.623 -16.657 1.622 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.017 -14.530 1.234 1.00 0.00 N ATOM 0 H GLN A 73 7.750 -13.729 3.509 1.00 0.00 H new ATOM 0 HA GLN A 73 7.904 -16.079 2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.497 -15.440 4.986 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.913 -16.976 4.251 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.054 -14.245 3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.891 -15.743 4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.714 -13.637 1.623 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.136 -14.633 0.226 1.00 0.00 H new ATOM 978 N GLU A 74 5.641 -16.193 4.462 1.00 0.00 N ATOM 979 CA GLU A 74 4.507 -16.956 4.968 1.00 0.00 C ATOM 980 C GLU A 74 3.192 -16.252 4.649 1.00 0.00 C ATOM 981 O GLU A 74 3.095 -15.024 4.668 1.00 0.00 O ATOM 982 CB GLU A 74 4.635 -17.163 6.479 1.00 0.00 C ATOM 983 CG GLU A 74 5.841 -17.995 6.880 1.00 0.00 C ATOM 984 CD GLU A 74 5.645 -19.475 6.608 1.00 0.00 C ATOM 985 OE1 GLU A 74 5.755 -19.883 5.434 1.00 0.00 O ATOM 986 OE2 GLU A 74 5.382 -20.223 7.573 1.00 0.00 O ATOM 0 H GLU A 74 5.765 -15.280 4.900 1.00 0.00 H new ATOM 0 HA GLU A 74 4.507 -17.928 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.697 -16.190 6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.731 -17.647 6.849 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.718 -17.642 6.337 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.043 -17.848 7.941 1.00 0.00 H new ATOM 993 N PRO A 75 2.153 -17.046 4.348 1.00 0.00 N ATOM 994 CA PRO A 75 0.824 -16.520 4.019 1.00 0.00 C ATOM 995 C PRO A 75 0.129 -15.904 5.229 1.00 0.00 C ATOM 996 O PRO A 75 0.438 -16.239 6.372 1.00 0.00 O ATOM 997 CB PRO A 75 0.063 -17.758 3.538 1.00 0.00 C ATOM 998 CG PRO A 75 0.746 -18.904 4.200 1.00 0.00 C ATOM 999 CD PRO A 75 2.196 -18.517 4.305 1.00 0.00 C ATOM 0 HA PRO A 75 0.873 -15.719 3.281 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.989 -17.709 3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.100 -17.849 2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.321 -19.096 5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.627 -19.818 3.618 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.659 -18.932 5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.771 -18.878 3.452 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.812 -15.002 4.969 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.537 -14.354 6.046 1.00 0.00 C ATOM 1009 C GLY A 76 -2.007 -12.961 5.674 1.00 0.00 C ATOM 1010 O GLY A 76 -1.726 -12.477 4.578 1.00 0.00 O ATOM 0 H GLY A 76 -1.085 -14.708 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.398 -14.964 6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.897 -14.295 6.926 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.727 -12.319 6.587 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.239 -10.974 6.348 1.00 0.00 C ATOM 1016 C ASN A 77 -2.223 -9.920 6.776 1.00 0.00 C ATOM 1017 O ASN A 77 -2.134 -9.571 7.953 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.556 -10.766 7.101 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.380 -10.845 8.605 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.572 -11.627 9.107 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -5.136 -10.032 9.332 1.00 0.00 N ATOM 0 H ASN A 77 -2.969 -12.707 7.499 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.418 -10.865 5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.973 -9.794 6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.277 -11.519 6.782 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.061 -10.039 10.349 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.792 -9.400 8.874 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.460 -9.416 5.813 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.448 -8.403 6.090 1.00 0.00 C ATOM 1030 C TYR A 78 -1.043 -7.001 5.998 1.00 0.00 C ATOM 1031 O TYR A 78 -1.468 -6.564 4.931 1.00 0.00 O ATOM 1032 CB TYR A 78 0.720 -8.538 5.112 1.00 0.00 C ATOM 1033 CG TYR A 78 1.606 -9.732 5.388 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.181 -11.021 5.093 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.870 -9.570 5.945 1.00 0.00 C ATOM 1036 CE1 TYR A 78 1.987 -12.114 5.345 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.683 -10.657 6.198 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.237 -11.927 5.898 1.00 0.00 C ATOM 1039 OH TYR A 78 4.043 -13.014 6.148 1.00 0.00 O ATOM 0 H TYR A 78 -1.523 -9.692 4.833 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.083 -8.558 7.105 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.327 -8.614 4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.324 -7.631 5.152 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.203 -11.171 4.659 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.222 -8.577 6.184 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.641 -13.110 5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.663 -10.513 6.629 1.00 0.00 H new ATOM 0 HH TYR A 78 3.856 -13.718 5.492 1.00 0.00 H new ATOM 1049 N GLU A 79 -1.067 -6.301 7.129 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.609 -4.949 7.178 1.00 0.00 C ATOM 1051 C GLU A 79 -0.529 -3.918 6.860 1.00 0.00 C ATOM 1052 O GLU A 79 0.363 -3.669 7.671 1.00 0.00 O ATOM 1053 CB GLU A 79 -2.210 -4.665 8.556 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.368 -3.682 8.524 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.675 -3.098 9.890 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.718 -2.785 10.629 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.869 -2.953 10.219 1.00 0.00 O ATOM 0 H GLU A 79 -0.718 -6.648 8.022 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.394 -4.873 6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.552 -5.603 8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.430 -4.274 9.210 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.134 -2.873 7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.256 -4.184 8.140 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.617 -3.323 5.676 1.00 0.00 N ATOM 1065 CA VAL A 80 0.351 -2.319 5.250 1.00 0.00 C ATOM 1066 C VAL A 80 -0.093 -0.920 5.659 1.00 0.00 C ATOM 1067 O VAL A 80 -1.051 -0.375 5.109 1.00 0.00 O ATOM 1068 CB VAL A 80 0.562 -2.354 3.725 1.00 0.00 C ATOM 1069 CG1 VAL A 80 1.670 -1.394 3.316 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.874 -3.769 3.262 1.00 0.00 C ATOM 0 H VAL A 80 -1.349 -3.519 4.993 1.00 0.00 H new ATOM 0 HA VAL A 80 1.293 -2.557 5.745 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.361 -2.033 3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.804 -1.433 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.401 -0.380 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.600 -1.681 3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.020 -3.775 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.782 -4.121 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.044 -4.427 3.519 1.00 0.00 H new ATOM 1080 N SER A 81 0.610 -0.341 6.627 1.00 0.00 N ATOM 1081 CA SER A 81 0.287 0.996 7.113 1.00 0.00 C ATOM 1082 C SER A 81 1.016 2.061 6.300 1.00 0.00 C ATOM 1083 O SER A 81 2.247 2.105 6.277 1.00 0.00 O ATOM 1084 CB SER A 81 0.655 1.126 8.593 1.00 0.00 C ATOM 1085 OG SER A 81 0.184 0.015 9.335 1.00 0.00 O ATOM 0 H SER A 81 1.407 -0.777 7.091 1.00 0.00 H new ATOM 0 HA SER A 81 -0.786 1.148 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.737 1.204 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.229 2.044 8.998 1.00 0.00 H new ATOM 0 HG SER A 81 0.433 0.121 10.277 1.00 0.00 H new ATOM 1091 N ILE A 82 0.248 2.917 5.634 1.00 0.00 N ATOM 1092 CA ILE A 82 0.822 3.982 4.821 1.00 0.00 C ATOM 1093 C ILE A 82 0.541 5.351 5.432 1.00 0.00 C ATOM 1094 O ILE A 82 -0.586 5.647 5.829 1.00 0.00 O ATOM 1095 CB ILE A 82 0.269 3.951 3.383 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.599 2.615 2.715 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.835 5.108 2.574 1.00 0.00 C ATOM 1098 CD1 ILE A 82 -0.057 2.436 1.365 1.00 0.00 C ATOM 0 H ILE A 82 -0.772 2.894 5.641 1.00 0.00 H new ATOM 0 HA ILE A 82 1.898 3.813 4.792 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.815 4.057 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.680 2.534 2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.287 1.803 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.435 5.073 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.554 6.051 3.042 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.922 5.030 2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.221 1.467 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.140 2.485 1.477 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.274 3.227 0.692 1.00 0.00 H new ATOM 1110 N LYS A 83 1.574 6.183 5.502 1.00 0.00 N ATOM 1111 CA LYS A 83 1.441 7.523 6.061 1.00 0.00 C ATOM 1112 C LYS A 83 2.067 8.564 5.138 1.00 0.00 C ATOM 1113 O LYS A 83 3.255 8.496 4.826 1.00 0.00 O ATOM 1114 CB LYS A 83 2.098 7.590 7.442 1.00 0.00 C ATOM 1115 CG LYS A 83 1.167 7.203 8.577 1.00 0.00 C ATOM 1116 CD LYS A 83 1.557 7.889 9.876 1.00 0.00 C ATOM 1117 CE LYS A 83 2.762 7.220 10.520 1.00 0.00 C ATOM 1118 NZ LYS A 83 2.481 5.804 10.886 1.00 0.00 N ATOM 0 H LYS A 83 2.513 5.953 5.178 1.00 0.00 H new ATOM 0 HA LYS A 83 0.378 7.743 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.966 6.931 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.464 8.603 7.612 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.143 7.470 8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.189 6.122 8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.782 8.938 9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.715 7.867 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.608 7.257 9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.052 7.775 11.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.913 5.591 11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.453 5.658 10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.880 5.173 10.162 1.00 0.00 H new ATOM 1132 N PHE A 84 1.260 9.527 4.704 1.00 0.00 N ATOM 1133 CA PHE A 84 1.736 10.581 3.817 1.00 0.00 C ATOM 1134 C PHE A 84 2.024 11.860 4.597 1.00 0.00 C ATOM 1135 O PHE A 84 1.160 12.376 5.306 1.00 0.00 O ATOM 1136 CB PHE A 84 0.703 10.860 2.722 1.00 0.00 C ATOM 1137 CG PHE A 84 1.015 12.078 1.900 1.00 0.00 C ATOM 1138 CD1 PHE A 84 1.893 12.001 0.831 1.00 0.00 C ATOM 1139 CD2 PHE A 84 0.431 13.298 2.196 1.00 0.00 C ATOM 1140 CE1 PHE A 84 2.182 13.119 0.072 1.00 0.00 C ATOM 1141 CE2 PHE A 84 0.716 14.421 1.441 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.593 14.330 0.378 1.00 0.00 C ATOM 0 H PHE A 84 0.273 9.599 4.953 1.00 0.00 H new ATOM 0 HA PHE A 84 2.663 10.242 3.355 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.640 9.994 2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.278 10.983 3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.357 11.056 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.255 13.373 3.026 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.868 13.046 -0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.254 15.367 1.682 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.818 15.205 -0.213 1.00 0.00 H new ATOM 1152 N ASN A 85 3.246 12.366 4.462 1.00 0.00 N ATOM 1153 CA ASN A 85 3.649 13.584 5.155 1.00 0.00 C ATOM 1154 C ASN A 85 3.327 13.494 6.644 1.00 0.00 C ATOM 1155 O ASN A 85 2.999 14.496 7.280 1.00 0.00 O ATOM 1156 CB ASN A 85 2.950 14.799 4.544 1.00 0.00 C ATOM 1157 CG ASN A 85 3.736 15.400 3.394 1.00 0.00 C ATOM 1158 OD1 ASN A 85 4.941 15.182 3.270 1.00 0.00 O ATOM 1159 ND2 ASN A 85 3.055 16.164 2.547 1.00 0.00 N ATOM 0 H ASN A 85 3.973 11.952 3.879 1.00 0.00 H new ATOM 0 HA ASN A 85 4.727 13.698 5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.961 14.507 4.191 1.00 0.00 H new ATOM 0 HB3 ASN A 85 2.803 15.556 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.531 16.597 1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.057 16.318 2.688 1.00 0.00 H new ATOM 1166 N ASP A 86 3.426 12.289 7.193 1.00 0.00 N ATOM 1167 CA ASP A 86 3.147 12.068 8.608 1.00 0.00 C ATOM 1168 C ASP A 86 1.651 12.155 8.887 1.00 0.00 C ATOM 1169 O ASP A 86 1.229 12.743 9.883 1.00 0.00 O ATOM 1170 CB ASP A 86 3.899 13.089 9.463 1.00 0.00 C ATOM 1171 CG ASP A 86 5.315 13.322 8.975 1.00 0.00 C ATOM 1172 OD1 ASP A 86 6.046 12.329 8.778 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.693 14.497 8.791 1.00 0.00 O ATOM 0 H ASP A 86 3.697 11.450 6.681 1.00 0.00 H new ATOM 0 HA ASP A 86 3.488 11.066 8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.356 14.034 9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.926 12.743 10.496 1.00 0.00 H new ATOM 1178 N GLU A 87 0.853 11.566 8.001 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.597 11.580 8.153 1.00 0.00 C ATOM 1180 C GLU A 87 -1.209 10.275 7.649 1.00 0.00 C ATOM 1181 O GLU A 87 -0.774 9.721 6.639 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.201 12.764 7.396 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.285 14.036 8.223 1.00 0.00 C ATOM 1184 CD GLU A 87 -2.113 15.115 7.551 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -3.217 14.796 7.062 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -1.658 16.276 7.515 1.00 0.00 O ATOM 0 H GLU A 87 1.186 11.074 7.172 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.824 11.683 9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.603 12.958 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.201 12.495 7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.718 13.804 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.279 14.415 8.404 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.221 9.790 8.362 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.893 8.550 7.988 1.00 0.00 C ATOM 1195 C HIS A 88 -4.018 8.821 6.993 1.00 0.00 C ATOM 1196 O HIS A 88 -5.059 9.373 7.353 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.452 7.855 9.229 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.511 6.856 9.830 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.542 5.512 9.520 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.509 7.011 10.726 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.599 4.885 10.201 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.958 5.772 10.941 1.00 0.00 N ATOM 0 H HIS A 88 -2.593 10.236 9.201 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.161 7.897 7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.697 8.608 9.978 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.383 7.353 8.966 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -3.191 5.072 8.868 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.200 7.938 11.187 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.388 3.827 10.160 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.800 8.432 5.742 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.795 8.633 4.695 1.00 0.00 C ATOM 1212 C ILE A 89 -6.049 7.807 4.963 1.00 0.00 C ATOM 1213 O ILE A 89 -6.031 6.832 5.714 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.237 8.261 3.309 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.233 7.113 3.429 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.588 9.473 2.657 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.988 6.385 2.127 1.00 0.00 C ATOM 0 H ILE A 89 -2.943 7.976 5.428 1.00 0.00 H new ATOM 0 HA ILE A 89 -5.051 9.692 4.702 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.063 7.931 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.286 7.506 3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.595 6.401 4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.198 9.194 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.329 10.264 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.771 9.830 3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.266 5.585 2.288 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.925 5.961 1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.596 7.084 1.388 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.165 8.206 4.334 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.449 7.515 4.488 1.00 0.00 C ATOM 1231 C PRO A 90 -8.451 6.140 3.829 1.00 0.00 C ATOM 1232 O PRO A 90 -9.466 5.446 3.823 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.439 8.447 3.784 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.615 9.197 2.796 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.259 9.359 3.425 1.00 0.00 C ATOM 0 HA PRO A 90 -8.688 7.328 5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.232 7.884 3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.920 9.122 4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.546 8.654 1.854 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.060 10.167 2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.465 9.347 2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.176 10.303 3.963 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.306 5.753 3.274 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.176 4.461 2.612 1.00 0.00 C ATOM 1245 C GLU A 91 -6.241 3.541 3.391 1.00 0.00 C ATOM 1246 O GLU A 91 -6.062 2.375 3.038 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.657 4.644 1.184 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.630 5.372 0.272 1.00 0.00 C ATOM 1249 CD GLU A 91 -8.667 4.446 -0.334 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -9.265 3.651 0.420 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -8.879 4.518 -1.563 1.00 0.00 O ATOM 0 H GLU A 91 -6.456 6.316 3.270 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.163 4.000 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.718 5.197 1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.436 3.665 0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.134 6.156 0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.075 5.862 -0.528 1.00 0.00 H new ATOM 1258 N SER A 92 -5.645 4.074 4.453 1.00 0.00 N ATOM 1259 CA SER A 92 -4.724 3.304 5.280 1.00 0.00 C ATOM 1260 C SER A 92 -5.227 3.218 6.718 1.00 0.00 C ATOM 1261 O SER A 92 -5.983 4.067 7.190 1.00 0.00 O ATOM 1262 CB SER A 92 -3.331 3.937 5.254 1.00 0.00 C ATOM 1263 OG SER A 92 -3.171 4.865 6.312 1.00 0.00 O ATOM 0 H SER A 92 -5.784 5.037 4.761 1.00 0.00 H new ATOM 0 HA SER A 92 -4.666 2.295 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.573 3.158 5.332 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.174 4.439 4.299 1.00 0.00 H new ATOM 0 HG SER A 92 -2.305 5.316 6.224 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.799 2.165 7.431 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.899 1.149 6.879 1.00 0.00 C ATOM 1271 C PRO A 93 -4.581 0.281 5.827 1.00 0.00 C ATOM 1272 O PRO A 93 -5.798 0.346 5.649 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.522 0.308 8.102 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.656 0.489 9.051 1.00 0.00 C ATOM 1275 CD PRO A 93 -5.160 1.888 8.832 1.00 0.00 C ATOM 0 HA PRO A 93 -3.044 1.595 6.370 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.392 -0.741 7.836 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.582 0.645 8.539 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.442 -0.243 8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.329 0.349 10.081 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.236 1.957 8.991 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.691 2.596 9.515 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.791 -0.530 5.133 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.319 -1.409 4.097 1.00 0.00 C ATOM 1285 C TYR A 94 -4.282 -2.866 4.547 1.00 0.00 C ATOM 1286 O TYR A 94 -3.423 -3.263 5.336 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.520 -1.243 2.803 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.687 0.114 2.158 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -3.171 1.257 2.754 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.361 0.252 0.951 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.321 2.499 2.169 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.515 1.491 0.357 1.00 0.00 C ATOM 1293 CZ TYR A 94 -3.995 2.611 0.969 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.147 3.846 0.382 1.00 0.00 O ATOM 0 H TYR A 94 -2.782 -0.597 5.269 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.357 -1.131 3.914 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.464 -1.408 3.015 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.827 -2.013 2.095 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.643 1.173 3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.771 -0.623 0.469 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.914 3.377 2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.040 1.581 -0.582 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.279 4.299 0.343 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.219 -3.659 4.040 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.295 -5.074 4.388 1.00 0.00 C ATOM 1306 C LEU A 95 -5.213 -5.948 3.141 1.00 0.00 C ATOM 1307 O LEU A 95 -6.131 -5.964 2.321 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.593 -5.364 5.144 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.630 -6.672 5.937 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.566 -6.667 7.023 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -8.010 -6.889 6.540 1.00 0.00 C ATOM 0 H LEU A 95 -5.937 -3.347 3.386 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.447 -5.311 5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.781 -4.540 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.413 -5.374 4.427 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.419 -7.496 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.607 -7.605 7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.582 -6.557 6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.745 -5.835 7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.019 -7.824 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.249 -6.062 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.752 -6.937 5.743 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.108 -6.674 3.004 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.908 -7.553 1.858 1.00 0.00 C ATOM 1325 C VAL A 96 -3.786 -9.007 2.296 1.00 0.00 C ATOM 1326 O VAL A 96 -2.763 -9.438 2.827 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.648 -7.160 1.063 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.714 -7.717 -0.350 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.482 -5.648 1.043 1.00 0.00 C ATOM 0 H VAL A 96 -3.338 -6.671 3.672 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.783 -7.442 1.217 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.777 -7.591 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.816 -7.430 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.782 -8.804 -0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.592 -7.317 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.587 -5.388 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.354 -5.192 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.386 -5.279 2.064 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.855 -9.785 2.069 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.892 -11.205 2.432 1.00 0.00 C ATOM 1341 C PRO A 97 -3.970 -12.051 1.560 1.00 0.00 C ATOM 1342 O PRO A 97 -4.325 -12.420 0.441 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.354 -11.593 2.197 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.844 -10.623 1.177 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.110 -9.338 1.441 1.00 0.00 C ATOM 0 HA PRO A 97 -4.550 -11.373 3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.439 -12.619 1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.934 -11.527 3.117 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.647 -10.985 0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.922 -10.481 1.260 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.924 -8.785 0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.677 -8.679 2.099 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.786 -12.355 2.082 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.814 -13.159 1.351 1.00 0.00 C ATOM 1355 C VAL A 98 -2.037 -14.647 1.593 1.00 0.00 C ATOM 1356 O VAL A 98 -2.279 -15.073 2.724 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.371 -12.796 1.752 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.627 -13.664 1.001 1.00 0.00 C ATOM 1359 CG2 VAL A 98 -0.103 -11.320 1.497 1.00 0.00 C ATOM 0 H VAL A 98 -2.477 -12.057 3.007 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.956 -12.941 0.292 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.251 -12.986 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.640 -13.393 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.448 -14.713 1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.509 -13.509 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.920 -11.081 1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.241 -11.103 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.796 -10.718 2.085 1.00 0.00 H new ATOM 1369 N ILE A 99 -1.955 -15.434 0.526 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.147 -16.876 0.623 1.00 0.00 C ATOM 1371 C ILE A 99 -1.039 -17.628 -0.104 1.00 0.00 C ATOM 1372 O ILE A 99 -0.379 -17.081 -0.987 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.509 -17.303 0.045 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.592 -16.943 -1.440 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.643 -16.647 0.819 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.534 -17.829 -2.225 1.00 0.00 C ATOM 0 H ILE A 99 -1.757 -15.097 -0.416 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.117 -17.128 1.683 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.606 -18.384 0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.916 -15.907 -1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.596 -17.008 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.599 -16.959 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.591 -16.948 1.865 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.552 -15.563 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.543 -17.516 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.199 -18.864 -2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.540 -17.746 -1.813 1.00 0.00 H new ATOM 1388 N ALA A 100 -0.843 -18.889 0.270 1.00 0.00 N ATOM 1389 CA ALA A 100 0.183 -19.718 -0.350 1.00 0.00 C ATOM 1390 C ALA A 100 -0.352 -20.410 -1.600 1.00 0.00 C ATOM 1391 O ALA A 100 -1.271 -21.227 -1.540 1.00 0.00 O ATOM 1392 CB ALA A 100 0.702 -20.746 0.644 1.00 0.00 C ATOM 0 H ALA A 100 -1.381 -19.358 0.999 1.00 0.00 H new ATOM 0 HA ALA A 100 1.007 -19.071 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.468 -21.358 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.131 -20.235 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.120 -21.383 0.972 1.00 0.00 H new ATOM 1398 N PRO A 101 0.234 -20.076 -2.759 1.00 0.00 N ATOM 1399 CA PRO A 101 -0.168 -20.654 -4.044 1.00 0.00 C ATOM 1400 C PRO A 101 0.213 -22.126 -4.163 1.00 0.00 C ATOM 1401 O PRO A 101 1.394 -22.473 -4.169 1.00 0.00 O ATOM 1402 CB PRO A 101 0.605 -19.817 -5.067 1.00 0.00 C ATOM 1403 CG PRO A 101 1.791 -19.311 -4.322 1.00 0.00 C ATOM 1404 CD PRO A 101 1.335 -19.109 -2.903 1.00 0.00 C ATOM 0 HA PRO A 101 -1.249 -20.629 -4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.904 -20.418 -5.926 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.003 -18.997 -5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.614 -20.024 -4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.153 -18.377 -4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.137 -19.304 -2.191 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.998 -18.087 -2.731 1.00 0.00 H new