USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 HIS : no HD1:sc= -1.24 X(o=-0.23,f=0.15) USER MOD Set 1.2: A 92 SER OG : rot 163:sc= 1.01 USER MOD Single : A 12 HIS : no HD1:sc= -2.68 K(o=-2.7,f=-3.9!) 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 -120:sc= 0.00303 USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0116) USER MOD Single : A 57 THR OG1 : rot -18:sc= 0.181 USER MOD Single : A 69 SER OG : rot 180:sc= -0.495 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.0872 USER MOD Single : A 73 GLN : amide:sc= -0.742 K(o=-0.74,f=-1.5!) USER MOD Single : A 77 ASN : amide:sc= -0.619! C(o=-0.62!,f=-5.9!) USER MOD Single : A 78 TYR OH : rot 13:sc= 1.21 USER MOD Single : A 81 SER OG : rot 180:sc= -0.541 USER MOD Single : A 83 LYS NZ :NH3+ -161:sc= -0.0688 (180deg=-0.381) USER MOD Single : A 85 ASN : amide:sc= -5.89! C(o=-5.9!,f=-9.9!) USER MOD Single : A 94 TYR OH : rot 50:sc= -1.59 USER MOD ----------------------------------------------------------------- ATOM 88 N GLY A 10 -3.146 17.342 0.503 1.00 0.00 N ATOM 89 CA GLY A 10 -2.574 16.620 1.625 1.00 0.00 C ATOM 90 C GLY A 10 -2.699 15.117 1.473 1.00 0.00 C ATOM 91 O GLY A 10 -2.600 14.589 0.366 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.522 16.885 1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.070 16.931 2.544 1.00 0.00 H new ATOM 95 N ALA A 11 -2.917 14.427 2.587 1.00 0.00 N ATOM 96 CA ALA A 11 -3.057 12.977 2.572 1.00 0.00 C ATOM 97 C ALA A 11 -4.360 12.557 1.900 1.00 0.00 C ATOM 98 O ALA A 11 -4.350 11.948 0.829 1.00 0.00 O ATOM 99 CB ALA A 11 -2.991 12.425 3.989 1.00 0.00 C ATOM 0 H ALA A 11 -3.001 14.849 3.512 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.231 12.564 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.097 11.340 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.032 12.685 4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.797 12.854 4.584 1.00 0.00 H new ATOM 105 N HIS A 12 -5.481 12.887 2.535 1.00 0.00 N ATOM 106 CA HIS A 12 -6.792 12.544 1.997 1.00 0.00 C ATOM 107 C HIS A 12 -6.802 12.657 0.476 1.00 0.00 C ATOM 108 O HIS A 12 -7.492 11.899 -0.209 1.00 0.00 O ATOM 109 CB HIS A 12 -7.866 13.454 2.595 1.00 0.00 C ATOM 110 CG HIS A 12 -7.698 14.897 2.229 1.00 0.00 C ATOM 111 ND1 HIS A 12 -6.525 15.594 2.433 1.00 0.00 N ATOM 112 CD2 HIS A 12 -8.563 15.775 1.669 1.00 0.00 C ATOM 113 CE1 HIS A 12 -6.676 16.838 2.014 1.00 0.00 C ATOM 114 NE2 HIS A 12 -7.904 16.974 1.547 1.00 0.00 N ATOM 0 H HIS A 12 -5.507 13.391 3.421 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.010 11.511 2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -8.846 13.114 2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.849 13.358 3.681 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.581 15.571 1.373 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.923 17.612 2.048 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -8.299 17.831 1.159 1.00 0.00 H new ATOM 122 N LYS A 13 -6.035 13.607 -0.048 1.00 0.00 N ATOM 123 CA LYS A 13 -5.954 13.818 -1.488 1.00 0.00 C ATOM 124 C LYS A 13 -4.945 12.868 -2.122 1.00 0.00 C ATOM 125 O LYS A 13 -4.235 13.235 -3.059 1.00 0.00 O ATOM 126 CB LYS A 13 -5.566 15.267 -1.791 1.00 0.00 C ATOM 127 CG LYS A 13 -6.582 16.284 -1.298 1.00 0.00 C ATOM 128 CD LYS A 13 -7.692 16.500 -2.313 1.00 0.00 C ATOM 129 CE LYS A 13 -8.777 15.442 -2.185 1.00 0.00 C ATOM 130 NZ LYS A 13 -10.106 15.954 -2.622 1.00 0.00 N ATOM 0 H LYS A 13 -5.460 14.244 0.504 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.936 13.614 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.600 15.479 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.441 15.383 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.011 15.944 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.082 17.231 -1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.128 17.489 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.276 16.476 -3.320 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.508 14.572 -2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.839 15.109 -1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.818 15.203 -2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.375 16.769 -2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.054 16.248 -3.618 1.00 0.00 H new ATOM 144 N VAL A 14 -4.886 11.644 -1.606 1.00 0.00 N ATOM 145 CA VAL A 14 -3.964 10.639 -2.125 1.00 0.00 C ATOM 146 C VAL A 14 -4.656 9.291 -2.288 1.00 0.00 C ATOM 147 O VAL A 14 -5.125 8.700 -1.316 1.00 0.00 O ATOM 148 CB VAL A 14 -2.743 10.469 -1.201 1.00 0.00 C ATOM 149 CG1 VAL A 14 -1.892 9.292 -1.653 1.00 0.00 C ATOM 150 CG2 VAL A 14 -1.920 11.749 -1.163 1.00 0.00 C ATOM 0 H VAL A 14 -5.465 11.324 -0.830 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.627 10.991 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.099 10.264 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.034 9.187 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.488 8.380 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.544 9.465 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.062 11.610 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.572 11.988 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.536 12.567 -0.788 1.00 0.00 H new ATOM 160 N ARG A 15 -4.715 8.809 -3.526 1.00 0.00 N ATOM 161 CA ARG A 15 -5.350 7.530 -3.818 1.00 0.00 C ATOM 162 C ARG A 15 -4.321 6.505 -4.284 1.00 0.00 C ATOM 163 O ARG A 15 -3.575 6.747 -5.233 1.00 0.00 O ATOM 164 CB ARG A 15 -6.431 7.706 -4.886 1.00 0.00 C ATOM 165 CG ARG A 15 -7.739 8.258 -4.345 1.00 0.00 C ATOM 166 CD ARG A 15 -8.482 9.064 -5.398 1.00 0.00 C ATOM 167 NE ARG A 15 -8.906 8.236 -6.524 1.00 0.00 N ATOM 168 CZ ARG A 15 -9.214 8.723 -7.720 1.00 0.00 C ATOM 169 NH1 ARG A 15 -9.148 10.029 -7.946 1.00 0.00 N ATOM 170 NH2 ARG A 15 -9.590 7.906 -8.695 1.00 0.00 N ATOM 0 H ARG A 15 -4.331 9.285 -4.342 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.811 7.164 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.058 8.375 -5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.621 6.743 -5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.368 7.436 -4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.538 8.887 -3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.355 9.534 -4.945 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.839 9.867 -5.760 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.969 7.228 -6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.860 10.662 -7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.385 10.400 -8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.643 6.901 -8.527 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.826 8.282 -9.613 1.00 0.00 H new ATOM 184 N ALA A 16 -4.285 5.361 -3.610 1.00 0.00 N ATOM 185 CA ALA A 16 -3.349 4.299 -3.955 1.00 0.00 C ATOM 186 C ALA A 16 -4.044 3.183 -4.727 1.00 0.00 C ATOM 187 O ALA A 16 -5.064 2.653 -4.288 1.00 0.00 O ATOM 188 CB ALA A 16 -2.692 3.745 -2.700 1.00 0.00 C ATOM 0 H ALA A 16 -4.894 5.146 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.578 4.724 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -1.995 2.952 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.152 4.543 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.457 3.342 -2.036 1.00 0.00 H new ATOM 222 N GLY A 20 -1.783 -6.081 -6.444 1.00 0.00 N ATOM 223 CA GLY A 20 -1.164 -6.423 -5.177 1.00 0.00 C ATOM 224 C GLY A 20 -2.033 -6.056 -3.989 1.00 0.00 C ATOM 225 O GLY A 20 -2.431 -6.924 -3.211 1.00 0.00 O ATOM 0 HA2 GLY A 20 -0.956 -7.493 -5.155 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.206 -5.910 -5.094 1.00 0.00 H new ATOM 229 N LEU A 21 -2.325 -4.768 -3.849 1.00 0.00 N ATOM 230 CA LEU A 21 -3.151 -4.288 -2.746 1.00 0.00 C ATOM 231 C LEU A 21 -4.451 -5.081 -2.653 1.00 0.00 C ATOM 232 O LEU A 21 -4.910 -5.412 -1.560 1.00 0.00 O ATOM 233 CB LEU A 21 -3.461 -2.801 -2.925 1.00 0.00 C ATOM 234 CG LEU A 21 -2.284 -1.842 -2.729 1.00 0.00 C ATOM 235 CD1 LEU A 21 -2.617 -0.467 -3.286 1.00 0.00 C ATOM 236 CD2 LEU A 21 -1.913 -1.748 -1.256 1.00 0.00 C ATOM 0 H LEU A 21 -2.003 -4.038 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.594 -4.429 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.862 -2.652 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.248 -2.527 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.426 -2.234 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.769 0.201 -3.138 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.833 -0.548 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.489 -0.066 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.075 -1.062 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.768 -1.380 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.631 -2.734 -0.888 1.00 0.00 H new ATOM 248 N GLU A 22 -5.036 -5.384 -3.807 1.00 0.00 N ATOM 249 CA GLU A 22 -6.283 -6.139 -3.855 1.00 0.00 C ATOM 250 C GLU A 22 -6.102 -7.525 -3.242 1.00 0.00 C ATOM 251 O GLU A 22 -6.947 -7.992 -2.477 1.00 0.00 O ATOM 252 CB GLU A 22 -6.772 -6.270 -5.299 1.00 0.00 C ATOM 253 CG GLU A 22 -5.754 -6.903 -6.232 1.00 0.00 C ATOM 254 CD GLU A 22 -6.263 -7.023 -7.656 1.00 0.00 C ATOM 255 OE1 GLU A 22 -6.606 -5.980 -8.252 1.00 0.00 O ATOM 256 OE2 GLU A 22 -6.318 -8.158 -8.173 1.00 0.00 O ATOM 0 H GLU A 22 -4.667 -5.119 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.029 -5.596 -3.274 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.684 -6.867 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.032 -5.281 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.841 -6.307 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.491 -7.893 -5.859 1.00 0.00 H new ATOM 263 N ARG A 23 -4.996 -8.178 -3.584 1.00 0.00 N ATOM 264 CA ARG A 23 -4.705 -9.511 -3.069 1.00 0.00 C ATOM 265 C ARG A 23 -3.231 -9.857 -3.259 1.00 0.00 C ATOM 266 O ARG A 23 -2.644 -9.567 -4.301 1.00 0.00 O ATOM 267 CB ARG A 23 -5.579 -10.552 -3.768 1.00 0.00 C ATOM 268 CG ARG A 23 -5.907 -11.755 -2.898 1.00 0.00 C ATOM 269 CD ARG A 23 -6.368 -12.938 -3.734 1.00 0.00 C ATOM 270 NE ARG A 23 -5.299 -13.461 -4.581 1.00 0.00 N ATOM 271 CZ ARG A 23 -5.325 -14.667 -5.137 1.00 0.00 C ATOM 272 NH1 ARG A 23 -6.361 -15.470 -4.939 1.00 0.00 N ATOM 273 NH2 ARG A 23 -4.314 -15.072 -5.895 1.00 0.00 N ATOM 0 H ARG A 23 -4.287 -7.806 -4.215 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.927 -9.518 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.509 -10.080 -4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.071 -10.894 -4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.027 -12.038 -2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.686 -11.487 -2.184 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.728 -13.729 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.209 -12.635 -4.358 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.488 -12.867 -4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.141 -15.162 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.378 -16.396 -5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.515 -14.457 -6.051 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.335 -15.998 -6.321 1.00 0.00 H new ATOM 287 N GLY A 24 -2.638 -10.478 -2.244 1.00 0.00 N ATOM 288 CA GLY A 24 -1.239 -10.853 -2.319 1.00 0.00 C ATOM 289 C GLY A 24 -1.033 -12.352 -2.224 1.00 0.00 C ATOM 290 O GLY A 24 -1.980 -13.099 -1.978 1.00 0.00 O ATOM 0 H GLY A 24 -3.102 -10.728 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.819 -10.491 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.691 -10.363 -1.514 1.00 0.00 H new ATOM 294 N GLU A 25 0.205 -12.792 -2.420 1.00 0.00 N ATOM 295 CA GLU A 25 0.530 -14.213 -2.357 1.00 0.00 C ATOM 296 C GLU A 25 1.815 -14.443 -1.569 1.00 0.00 C ATOM 297 O GLU A 25 2.693 -13.581 -1.527 1.00 0.00 O ATOM 298 CB GLU A 25 0.674 -14.789 -3.769 1.00 0.00 C ATOM 299 CG GLU A 25 -0.652 -15.163 -4.411 1.00 0.00 C ATOM 300 CD GLU A 25 -1.274 -14.011 -5.177 1.00 0.00 C ATOM 301 OE1 GLU A 25 -0.691 -13.600 -6.203 1.00 0.00 O ATOM 302 OE2 GLU A 25 -2.342 -13.524 -4.753 1.00 0.00 O ATOM 0 H GLU A 25 1.000 -12.186 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.286 -14.724 -1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.181 -14.059 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.311 -15.673 -3.729 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.500 -16.004 -5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.344 -15.497 -3.638 1.00 0.00 H new ATOM 309 N ALA A 26 1.918 -15.611 -0.944 1.00 0.00 N ATOM 310 CA ALA A 26 3.096 -15.956 -0.158 1.00 0.00 C ATOM 311 C ALA A 26 4.265 -16.339 -1.059 1.00 0.00 C ATOM 312 O ALA A 26 4.117 -17.149 -1.973 1.00 0.00 O ATOM 313 CB ALA A 26 2.775 -17.090 0.804 1.00 0.00 C ATOM 0 H ALA A 26 1.200 -16.335 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 26 3.388 -15.078 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.664 -17.337 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.976 -16.780 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.455 -17.966 0.240 1.00 0.00 H new ATOM 319 N GLY A 27 5.428 -15.751 -0.795 1.00 0.00 N ATOM 320 CA GLY A 27 6.605 -16.043 -1.592 1.00 0.00 C ATOM 321 C GLY A 27 6.525 -15.447 -2.984 1.00 0.00 C ATOM 322 O GLY A 27 7.284 -15.829 -3.875 1.00 0.00 O ATOM 0 H GLY A 27 5.576 -15.078 -0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.489 -15.656 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.729 -17.123 -1.669 1.00 0.00 H new ATOM 326 N VAL A 28 5.602 -14.509 -3.172 1.00 0.00 N ATOM 327 CA VAL A 28 5.425 -13.860 -4.465 1.00 0.00 C ATOM 328 C VAL A 28 5.531 -12.344 -4.339 1.00 0.00 C ATOM 329 O VAL A 28 4.830 -11.713 -3.548 1.00 0.00 O ATOM 330 CB VAL A 28 4.064 -14.218 -5.092 1.00 0.00 C ATOM 331 CG1 VAL A 28 3.851 -13.446 -6.385 1.00 0.00 C ATOM 332 CG2 VAL A 28 3.966 -15.716 -5.334 1.00 0.00 C ATOM 0 H VAL A 28 4.966 -14.182 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 28 6.222 -14.224 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 28 3.277 -13.934 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.884 -13.712 -6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.874 -12.376 -6.178 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.642 -13.696 -7.092 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.998 -15.950 -5.777 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.761 -16.028 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.069 -16.245 -4.387 1.00 0.00 H new ATOM 342 N PRO A 29 6.427 -11.745 -5.137 1.00 0.00 N ATOM 343 CA PRO A 29 6.646 -10.295 -5.134 1.00 0.00 C ATOM 344 C PRO A 29 5.465 -9.530 -5.720 1.00 0.00 C ATOM 345 O PRO A 29 5.139 -9.681 -6.897 1.00 0.00 O ATOM 346 CB PRO A 29 7.887 -10.122 -6.013 1.00 0.00 C ATOM 347 CG PRO A 29 7.885 -11.312 -6.910 1.00 0.00 C ATOM 348 CD PRO A 29 7.296 -12.437 -6.104 1.00 0.00 C ATOM 0 HA PRO A 29 6.765 -9.902 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.841 -9.195 -6.585 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.795 -10.081 -5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.295 -11.124 -7.807 1.00 0.00 H new ATOM 0 HG3 PRO A 29 8.896 -11.555 -7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 29 6.731 -13.127 -6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.069 -13.021 -5.604 1.00 0.00 H new ATOM 356 N ALA A 30 4.829 -8.708 -4.893 1.00 0.00 N ATOM 357 CA ALA A 30 3.686 -7.917 -5.331 1.00 0.00 C ATOM 358 C ALA A 30 3.957 -6.425 -5.170 1.00 0.00 C ATOM 359 O ALA A 30 4.070 -5.923 -4.052 1.00 0.00 O ATOM 360 CB ALA A 30 2.439 -8.316 -4.557 1.00 0.00 C ATOM 0 H ALA A 30 5.086 -8.572 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 30 3.522 -8.118 -6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.594 -7.717 -4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.227 -9.371 -4.728 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.602 -8.146 -3.493 1.00 0.00 H new ATOM 366 N GLU A 31 4.060 -5.721 -6.294 1.00 0.00 N ATOM 367 CA GLU A 31 4.320 -4.287 -6.275 1.00 0.00 C ATOM 368 C GLU A 31 3.129 -3.511 -6.832 1.00 0.00 C ATOM 369 O GLU A 31 2.393 -4.009 -7.685 1.00 0.00 O ATOM 370 CB GLU A 31 5.577 -3.962 -7.085 1.00 0.00 C ATOM 371 CG GLU A 31 5.505 -4.423 -8.531 1.00 0.00 C ATOM 372 CD GLU A 31 4.850 -3.399 -9.438 1.00 0.00 C ATOM 373 OE1 GLU A 31 5.390 -2.278 -9.552 1.00 0.00 O ATOM 374 OE2 GLU A 31 3.800 -3.718 -10.032 1.00 0.00 O ATOM 0 H GLU A 31 3.967 -6.121 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 31 4.477 -3.986 -5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.744 -2.885 -7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.438 -4.428 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.512 -4.632 -8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.948 -5.358 -8.583 1.00 0.00 H new ATOM 381 N PHE A 32 2.946 -2.289 -6.344 1.00 0.00 N ATOM 382 CA PHE A 32 1.844 -1.445 -6.790 1.00 0.00 C ATOM 383 C PHE A 32 2.315 -0.011 -7.017 1.00 0.00 C ATOM 384 O PHE A 32 3.313 0.424 -6.442 1.00 0.00 O ATOM 385 CB PHE A 32 0.709 -1.465 -5.765 1.00 0.00 C ATOM 386 CG PHE A 32 1.156 -1.130 -4.370 1.00 0.00 C ATOM 387 CD1 PHE A 32 1.817 -2.070 -3.596 1.00 0.00 C ATOM 388 CD2 PHE A 32 0.916 0.124 -3.833 1.00 0.00 C ATOM 389 CE1 PHE A 32 2.228 -1.765 -2.312 1.00 0.00 C ATOM 390 CE2 PHE A 32 1.324 0.436 -2.550 1.00 0.00 C ATOM 391 CZ PHE A 32 1.982 -0.510 -1.789 1.00 0.00 C ATOM 0 H PHE A 32 3.547 -1.861 -5.639 1.00 0.00 H new ATOM 0 HA PHE A 32 1.476 -1.842 -7.736 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.060 -0.756 -6.072 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.249 -2.453 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.013 -3.052 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.403 0.868 -4.425 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.741 -2.507 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.129 1.417 -2.143 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.304 -0.269 -0.787 1.00 0.00 H new ATOM 401 N SER A 33 1.589 0.719 -7.858 1.00 0.00 N ATOM 402 CA SER A 33 1.934 2.101 -8.163 1.00 0.00 C ATOM 403 C SER A 33 1.050 3.069 -7.380 1.00 0.00 C ATOM 404 O SER A 33 -0.149 2.841 -7.223 1.00 0.00 O ATOM 405 CB SER A 33 1.792 2.365 -9.664 1.00 0.00 C ATOM 406 OG SER A 33 0.428 2.398 -10.049 1.00 0.00 O ATOM 0 H SER A 33 0.758 0.375 -8.340 1.00 0.00 H new ATOM 0 HA SER A 33 2.971 2.263 -7.868 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.267 3.313 -9.916 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.313 1.588 -10.224 1.00 0.00 H new ATOM 0 HG SER A 33 0.364 2.570 -11.012 1.00 0.00 H new ATOM 412 N ILE A 34 1.653 4.146 -6.891 1.00 0.00 N ATOM 413 CA ILE A 34 0.922 5.148 -6.125 1.00 0.00 C ATOM 414 C ILE A 34 0.833 6.466 -6.887 1.00 0.00 C ATOM 415 O ILE A 34 1.851 7.041 -7.272 1.00 0.00 O ATOM 416 CB ILE A 34 1.582 5.403 -4.757 1.00 0.00 C ATOM 417 CG1 ILE A 34 1.745 4.087 -3.992 1.00 0.00 C ATOM 418 CG2 ILE A 34 0.758 6.394 -3.947 1.00 0.00 C ATOM 419 CD1 ILE A 34 2.770 4.157 -2.882 1.00 0.00 C ATOM 0 H ILE A 34 2.646 4.348 -7.011 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.082 4.754 -5.967 1.00 0.00 H new ATOM 0 HB ILE A 34 2.571 5.831 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.782 3.800 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.032 3.302 -4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.238 6.564 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.688 7.337 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.243 5.992 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.833 3.190 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.743 4.413 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.474 4.919 -2.161 1.00 0.00 H new ATOM 549 N LEU A 44 6.782 9.364 1.543 1.00 0.00 N ATOM 550 CA LEU A 44 5.859 8.238 1.622 1.00 0.00 C ATOM 551 C LEU A 44 6.416 7.138 2.520 1.00 0.00 C ATOM 552 O LEU A 44 7.425 6.511 2.197 1.00 0.00 O ATOM 553 CB LEU A 44 5.583 7.681 0.224 1.00 0.00 C ATOM 554 CG LEU A 44 4.409 8.307 -0.529 1.00 0.00 C ATOM 555 CD1 LEU A 44 4.615 8.191 -2.032 1.00 0.00 C ATOM 556 CD2 LEU A 44 3.099 7.650 -0.117 1.00 0.00 C ATOM 0 HA LEU A 44 4.925 8.596 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.483 7.805 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.403 6.609 0.311 1.00 0.00 H new ATOM 0 HG LEU A 44 4.360 9.365 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.769 8.642 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.532 8.708 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.692 7.139 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.275 8.108 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.138 6.585 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.945 7.786 0.954 1.00 0.00 H new ATOM 568 N SER A 45 5.750 6.907 3.647 1.00 0.00 N ATOM 569 CA SER A 45 6.180 5.884 4.592 1.00 0.00 C ATOM 570 C SER A 45 5.289 4.649 4.499 1.00 0.00 C ATOM 571 O SER A 45 4.062 4.755 4.497 1.00 0.00 O ATOM 572 CB SER A 45 6.159 6.436 6.019 1.00 0.00 C ATOM 573 OG SER A 45 6.960 5.649 6.883 1.00 0.00 O ATOM 0 H SER A 45 4.911 7.415 3.927 1.00 0.00 H new ATOM 0 HA SER A 45 7.200 5.595 4.337 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.520 7.464 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.134 6.458 6.388 1.00 0.00 H new ATOM 0 HG SER A 45 6.931 6.024 7.788 1.00 0.00 H new ATOM 579 N ILE A 46 5.915 3.479 4.423 1.00 0.00 N ATOM 580 CA ILE A 46 5.179 2.224 4.330 1.00 0.00 C ATOM 581 C ILE A 46 5.772 1.170 5.258 1.00 0.00 C ATOM 582 O ILE A 46 6.978 0.926 5.246 1.00 0.00 O ATOM 583 CB ILE A 46 5.174 1.680 2.889 1.00 0.00 C ATOM 584 CG1 ILE A 46 4.711 2.763 1.913 1.00 0.00 C ATOM 585 CG2 ILE A 46 4.278 0.454 2.791 1.00 0.00 C ATOM 586 CD1 ILE A 46 4.955 2.412 0.462 1.00 0.00 C ATOM 0 H ILE A 46 6.930 3.374 4.424 1.00 0.00 H new ATOM 0 HA ILE A 46 4.154 2.436 4.633 1.00 0.00 H new ATOM 0 HB ILE A 46 6.190 1.388 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.646 2.943 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.227 3.695 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.284 0.080 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.647 -0.321 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.260 0.724 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.602 3.225 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.022 2.261 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.417 1.497 0.213 1.00 0.00 H new ATOM 598 N ALA A 47 4.915 0.547 6.061 1.00 0.00 N ATOM 599 CA ALA A 47 5.354 -0.484 6.992 1.00 0.00 C ATOM 600 C ALA A 47 4.484 -1.733 6.880 1.00 0.00 C ATOM 601 O ALA A 47 3.310 -1.717 7.250 1.00 0.00 O ATOM 602 CB ALA A 47 5.334 0.048 8.417 1.00 0.00 C ATOM 0 H ALA A 47 3.913 0.739 6.085 1.00 0.00 H new ATOM 0 HA ALA A 47 6.376 -0.760 6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.664 -0.733 9.102 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.003 0.905 8.495 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.321 0.354 8.677 1.00 0.00 H new ATOM 608 N VAL A 48 5.067 -2.811 6.367 1.00 0.00 N ATOM 609 CA VAL A 48 4.345 -4.067 6.206 1.00 0.00 C ATOM 610 C VAL A 48 4.471 -4.937 7.452 1.00 0.00 C ATOM 611 O VAL A 48 5.566 -5.366 7.813 1.00 0.00 O ATOM 612 CB VAL A 48 4.859 -4.858 4.988 1.00 0.00 C ATOM 613 CG1 VAL A 48 4.113 -6.177 4.855 1.00 0.00 C ATOM 614 CG2 VAL A 48 4.723 -4.030 3.720 1.00 0.00 C ATOM 0 H VAL A 48 6.038 -2.840 6.056 1.00 0.00 H new ATOM 0 HA VAL A 48 3.297 -3.811 6.049 1.00 0.00 H new ATOM 0 HB VAL A 48 5.916 -5.079 5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.489 -6.722 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.266 -6.774 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.048 -5.982 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.091 -4.604 2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.675 -3.777 3.561 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.306 -3.114 3.819 1.00 0.00 H new ATOM 624 N GLU A 49 3.342 -5.192 8.106 1.00 0.00 N ATOM 625 CA GLU A 49 3.326 -6.010 9.312 1.00 0.00 C ATOM 626 C GLU A 49 2.392 -7.206 9.147 1.00 0.00 C ATOM 627 O GLU A 49 1.425 -7.152 8.389 1.00 0.00 O ATOM 628 CB GLU A 49 2.892 -5.174 10.517 1.00 0.00 C ATOM 629 CG GLU A 49 3.994 -4.287 11.071 1.00 0.00 C ATOM 630 CD GLU A 49 4.939 -5.036 11.990 1.00 0.00 C ATOM 631 OE1 GLU A 49 4.663 -5.094 13.207 1.00 0.00 O ATOM 632 OE2 GLU A 49 5.956 -5.565 11.493 1.00 0.00 O ATOM 0 H GLU A 49 2.427 -4.844 7.820 1.00 0.00 H new ATOM 0 HA GLU A 49 4.337 -6.381 9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.045 -4.551 10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.544 -5.842 11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.561 -3.859 10.244 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.547 -3.455 11.615 1.00 0.00 H new ATOM 639 N GLY A 50 2.691 -8.287 9.862 1.00 0.00 N ATOM 640 CA GLY A 50 1.871 -9.481 9.779 1.00 0.00 C ATOM 641 C GLY A 50 2.322 -10.562 10.743 1.00 0.00 C ATOM 642 O GLY A 50 3.060 -10.306 11.694 1.00 0.00 O ATOM 0 H GLY A 50 3.486 -8.357 10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.834 -9.221 9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.902 -9.870 8.761 1.00 0.00 H new ATOM 646 N PRO A 51 1.870 -11.801 10.501 1.00 0.00 N ATOM 647 CA PRO A 51 2.218 -12.948 11.344 1.00 0.00 C ATOM 648 C PRO A 51 3.682 -13.349 11.203 1.00 0.00 C ATOM 649 O PRO A 51 4.227 -14.056 12.050 1.00 0.00 O ATOM 650 CB PRO A 51 1.306 -14.061 10.822 1.00 0.00 C ATOM 651 CG PRO A 51 1.013 -13.680 9.411 1.00 0.00 C ATOM 652 CD PRO A 51 0.985 -12.178 9.386 1.00 0.00 C ATOM 0 HA PRO A 51 2.085 -12.730 12.404 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.797 -15.033 10.876 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.392 -14.132 11.411 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.776 -14.067 8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.059 -14.094 9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.347 -11.785 8.436 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.025 -11.793 9.527 1.00 0.00 H new ATOM 660 N SER A 52 4.315 -12.891 10.127 1.00 0.00 N ATOM 661 CA SER A 52 5.716 -13.205 9.873 1.00 0.00 C ATOM 662 C SER A 52 6.456 -11.986 9.330 1.00 0.00 C ATOM 663 O SER A 52 5.871 -10.917 9.155 1.00 0.00 O ATOM 664 CB SER A 52 5.829 -14.367 8.884 1.00 0.00 C ATOM 665 OG SER A 52 7.071 -15.037 9.025 1.00 0.00 O ATOM 0 H SER A 52 3.880 -12.301 9.418 1.00 0.00 H new ATOM 0 HA SER A 52 6.175 -13.496 10.818 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.012 -15.070 9.049 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.727 -13.993 7.865 1.00 0.00 H new ATOM 0 HG SER A 52 7.564 -14.993 8.179 1.00 0.00 H new ATOM 671 N LYS A 53 7.747 -12.155 9.066 1.00 0.00 N ATOM 672 CA LYS A 53 8.570 -11.071 8.542 1.00 0.00 C ATOM 673 C LYS A 53 8.359 -10.905 7.041 1.00 0.00 C ATOM 674 O LYS A 53 8.340 -11.884 6.296 1.00 0.00 O ATOM 675 CB LYS A 53 10.048 -11.338 8.834 1.00 0.00 C ATOM 676 CG LYS A 53 10.929 -10.110 8.683 1.00 0.00 C ATOM 677 CD LYS A 53 12.383 -10.426 8.990 1.00 0.00 C ATOM 678 CE LYS A 53 13.325 -9.472 8.270 1.00 0.00 C ATOM 679 NZ LYS A 53 13.463 -9.813 6.827 1.00 0.00 N ATOM 0 H LYS A 53 8.247 -13.033 9.206 1.00 0.00 H new ATOM 0 HA LYS A 53 8.270 -10.148 9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.146 -11.722 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.407 -12.118 8.162 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.846 -9.724 7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.577 -9.324 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.551 -10.363 10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.604 -11.451 8.693 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.954 -8.452 8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.305 -9.502 8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.164 -9.183 6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.777 -10.800 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.545 -9.694 6.353 1.00 0.00 H new ATOM 693 N ALA A 54 8.202 -9.660 6.604 1.00 0.00 N ATOM 694 CA ALA A 54 7.997 -9.366 5.191 1.00 0.00 C ATOM 695 C ALA A 54 9.115 -8.483 4.645 1.00 0.00 C ATOM 696 O ALA A 54 9.634 -7.619 5.351 1.00 0.00 O ATOM 697 CB ALA A 54 6.645 -8.701 4.981 1.00 0.00 C ATOM 0 H ALA A 54 8.213 -8.838 7.208 1.00 0.00 H new ATOM 0 HA ALA A 54 8.015 -10.308 4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.505 -8.487 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.854 -9.368 5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.605 -7.770 5.547 1.00 0.00 H new ATOM 703 N GLU A 55 9.479 -8.707 3.387 1.00 0.00 N ATOM 704 CA GLU A 55 10.536 -7.933 2.749 1.00 0.00 C ATOM 705 C GLU A 55 9.955 -6.747 1.983 1.00 0.00 C ATOM 706 O GLU A 55 8.826 -6.804 1.493 1.00 0.00 O ATOM 707 CB GLU A 55 11.347 -8.818 1.800 1.00 0.00 C ATOM 708 CG GLU A 55 12.749 -8.298 1.532 1.00 0.00 C ATOM 709 CD GLU A 55 12.801 -7.341 0.357 1.00 0.00 C ATOM 710 OE1 GLU A 55 12.012 -7.524 -0.593 1.00 0.00 O ATOM 711 OE2 GLU A 55 13.632 -6.409 0.387 1.00 0.00 O ATOM 0 H GLU A 55 9.057 -9.418 2.790 1.00 0.00 H new ATOM 0 HA GLU A 55 11.194 -7.553 3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.415 -9.821 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.814 -8.905 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 55 13.122 -7.794 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.414 -9.140 1.340 1.00 0.00 H new ATOM 718 N ILE A 56 10.733 -5.675 1.884 1.00 0.00 N ATOM 719 CA ILE A 56 10.296 -4.477 1.178 1.00 0.00 C ATOM 720 C ILE A 56 11.457 -3.822 0.436 1.00 0.00 C ATOM 721 O ILE A 56 12.365 -3.261 1.049 1.00 0.00 O ATOM 722 CB ILE A 56 9.675 -3.449 2.143 1.00 0.00 C ATOM 723 CG1 ILE A 56 8.423 -4.030 2.803 1.00 0.00 C ATOM 724 CG2 ILE A 56 9.343 -2.162 1.404 1.00 0.00 C ATOM 725 CD1 ILE A 56 8.054 -3.348 4.102 1.00 0.00 C ATOM 0 H ILE A 56 11.669 -5.611 2.284 1.00 0.00 H new ATOM 0 HA ILE A 56 9.539 -4.793 0.460 1.00 0.00 H new ATOM 0 HB ILE A 56 10.401 -3.219 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.586 -3.950 2.109 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.581 -5.092 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.905 -1.446 2.099 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.254 -1.743 0.977 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.632 -2.374 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.157 -3.811 4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.874 -3.450 4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 56 7.864 -2.291 3.917 1.00 0.00 H new ATOM 737 N THR A 57 11.419 -3.897 -0.891 1.00 0.00 N ATOM 738 CA THR A 57 12.467 -3.312 -1.719 1.00 0.00 C ATOM 739 C THR A 57 12.077 -1.918 -2.196 1.00 0.00 C ATOM 740 O THR A 57 11.225 -1.768 -3.073 1.00 0.00 O ATOM 741 CB THR A 57 12.775 -4.195 -2.943 1.00 0.00 C ATOM 742 OG1 THR A 57 13.083 -5.528 -2.521 1.00 0.00 O ATOM 743 CG2 THR A 57 13.939 -3.628 -3.740 1.00 0.00 C ATOM 0 H THR A 57 10.674 -4.357 -1.415 1.00 0.00 H new ATOM 0 HA THR A 57 13.360 -3.243 -1.097 1.00 0.00 H new ATOM 0 HB THR A 57 11.892 -4.212 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.308 -5.525 -1.567 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.138 -4.268 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 57 13.689 -2.625 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.826 -3.584 -3.108 1.00 0.00 H new ATOM 884 N VAL A 68 6.211 0.326 -4.806 1.00 0.00 N ATOM 885 CA VAL A 68 6.777 -0.424 -3.691 1.00 0.00 C ATOM 886 C VAL A 68 6.510 -1.917 -3.841 1.00 0.00 C ATOM 887 O VAL A 68 5.377 -2.335 -4.078 1.00 0.00 O ATOM 888 CB VAL A 68 6.202 0.057 -2.344 1.00 0.00 C ATOM 889 CG1 VAL A 68 6.681 -0.837 -1.211 1.00 0.00 C ATOM 890 CG2 VAL A 68 6.584 1.506 -2.089 1.00 0.00 C ATOM 0 HA VAL A 68 7.853 -0.248 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 68 5.115 -0.005 -2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.266 -0.483 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.352 -1.860 -1.391 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.770 -0.809 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.170 1.829 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.670 1.597 -2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.187 2.133 -2.887 1.00 0.00 H new ATOM 900 N SER A 69 7.562 -2.717 -3.700 1.00 0.00 N ATOM 901 CA SER A 69 7.443 -4.166 -3.823 1.00 0.00 C ATOM 902 C SER A 69 7.718 -4.848 -2.487 1.00 0.00 C ATOM 903 O SER A 69 8.638 -4.470 -1.762 1.00 0.00 O ATOM 904 CB SER A 69 8.410 -4.689 -4.885 1.00 0.00 C ATOM 905 OG SER A 69 9.756 -4.513 -4.481 1.00 0.00 O ATOM 0 H SER A 69 8.506 -2.387 -3.501 1.00 0.00 H new ATOM 0 HA SER A 69 6.422 -4.399 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.217 -5.746 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.238 -4.167 -5.826 1.00 0.00 H new ATOM 0 HG SER A 69 10.354 -4.857 -5.177 1.00 0.00 H new ATOM 911 N TYR A 70 6.914 -5.857 -2.169 1.00 0.00 N ATOM 912 CA TYR A 70 7.068 -6.593 -0.919 1.00 0.00 C ATOM 913 C TYR A 70 6.801 -8.080 -1.127 1.00 0.00 C ATOM 914 O TYR A 70 6.107 -8.473 -2.064 1.00 0.00 O ATOM 915 CB TYR A 70 6.120 -6.036 0.145 1.00 0.00 C ATOM 916 CG TYR A 70 4.676 -6.433 -0.064 1.00 0.00 C ATOM 917 CD1 TYR A 70 3.922 -5.872 -1.087 1.00 0.00 C ATOM 918 CD2 TYR A 70 4.067 -7.369 0.762 1.00 0.00 C ATOM 919 CE1 TYR A 70 2.602 -6.231 -1.280 1.00 0.00 C ATOM 920 CE2 TYR A 70 2.748 -7.735 0.576 1.00 0.00 C ATOM 921 CZ TYR A 70 2.020 -7.163 -0.447 1.00 0.00 C ATOM 922 OH TYR A 70 0.705 -7.524 -0.637 1.00 0.00 O ATOM 0 H TYR A 70 6.149 -6.184 -2.759 1.00 0.00 H new ATOM 0 HA TYR A 70 8.096 -6.471 -0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.445 -6.382 1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.192 -4.948 0.151 1.00 0.00 H new ATOM 0 HD1 TYR A 70 4.375 -5.143 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.634 -7.818 1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 70 2.029 -5.784 -2.079 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.289 -8.464 1.227 1.00 0.00 H new ATOM 0 HH TYR A 70 0.449 -8.191 0.033 1.00 0.00 H new ATOM 932 N ILE A 71 7.357 -8.903 -0.244 1.00 0.00 N ATOM 933 CA ILE A 71 7.179 -10.347 -0.327 1.00 0.00 C ATOM 934 C ILE A 71 6.900 -10.947 1.046 1.00 0.00 C ATOM 935 O ILE A 71 7.653 -10.732 1.994 1.00 0.00 O ATOM 936 CB ILE A 71 8.417 -11.034 -0.932 1.00 0.00 C ATOM 937 CG1 ILE A 71 8.505 -10.745 -2.433 1.00 0.00 C ATOM 938 CG2 ILE A 71 8.370 -12.533 -0.678 1.00 0.00 C ATOM 939 CD1 ILE A 71 9.841 -11.111 -3.040 1.00 0.00 C ATOM 0 H ILE A 71 7.935 -8.594 0.538 1.00 0.00 H new ATOM 0 HA ILE A 71 6.322 -10.521 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 71 9.308 -10.632 -0.450 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.718 -11.296 -2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.316 -9.685 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 71 9.252 -13.003 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.350 -12.720 0.396 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.474 -12.952 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.832 -10.880 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.631 -10.541 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.024 -12.177 -2.902 1.00 0.00 H new ATOM 951 N ALA A 72 5.810 -11.702 1.145 1.00 0.00 N ATOM 952 CA ALA A 72 5.432 -12.338 2.402 1.00 0.00 C ATOM 953 C ALA A 72 5.826 -13.811 2.413 1.00 0.00 C ATOM 954 O ALA A 72 5.132 -14.651 1.839 1.00 0.00 O ATOM 955 CB ALA A 72 3.938 -12.186 2.641 1.00 0.00 C ATOM 0 H ALA A 72 5.173 -11.888 0.370 1.00 0.00 H new ATOM 0 HA ALA A 72 5.970 -11.840 3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.670 -12.665 3.582 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.683 -11.127 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.389 -12.656 1.825 1.00 0.00 H new ATOM 961 N GLN A 73 6.941 -14.116 3.067 1.00 0.00 N ATOM 962 CA GLN A 73 7.427 -15.489 3.150 1.00 0.00 C ATOM 963 C GLN A 73 6.288 -16.449 3.475 1.00 0.00 C ATOM 964 O GLN A 73 6.071 -17.432 2.767 1.00 0.00 O ATOM 965 CB GLN A 73 8.523 -15.601 4.210 1.00 0.00 C ATOM 966 CG GLN A 73 9.783 -14.823 3.868 1.00 0.00 C ATOM 967 CD GLN A 73 10.154 -14.928 2.401 1.00 0.00 C ATOM 968 OE1 GLN A 73 10.072 -16.002 1.804 1.00 0.00 O ATOM 969 NE2 GLN A 73 10.565 -13.811 1.813 1.00 0.00 N ATOM 0 H GLN A 73 7.525 -13.432 3.547 1.00 0.00 H new ATOM 0 HA GLN A 73 7.842 -15.761 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.133 -15.243 5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.780 -16.652 4.345 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.640 -13.774 4.128 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.609 -15.192 4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.617 -12.943 2.347 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.828 -13.820 0.828 1.00 0.00 H new ATOM 978 N GLU A 74 5.564 -16.159 4.551 1.00 0.00 N ATOM 979 CA GLU A 74 4.448 -16.999 4.970 1.00 0.00 C ATOM 980 C GLU A 74 3.114 -16.337 4.639 1.00 0.00 C ATOM 981 O GLU A 74 2.965 -15.116 4.703 1.00 0.00 O ATOM 982 CB GLU A 74 4.530 -17.283 6.472 1.00 0.00 C ATOM 983 CG GLU A 74 5.938 -17.577 6.960 1.00 0.00 C ATOM 984 CD GLU A 74 5.956 -18.446 8.202 1.00 0.00 C ATOM 985 OE1 GLU A 74 5.201 -18.142 9.149 1.00 0.00 O ATOM 986 OE2 GLU A 74 6.723 -19.431 8.227 1.00 0.00 O ATOM 0 H GLU A 74 5.730 -15.349 5.148 1.00 0.00 H new ATOM 0 HA GLU A 74 4.512 -17.941 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.137 -16.425 7.017 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.888 -18.132 6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.497 -18.073 6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.449 -16.638 7.171 1.00 0.00 H new ATOM 993 N PRO A 75 2.119 -17.160 4.275 1.00 0.00 N ATOM 994 CA PRO A 75 0.780 -16.678 3.925 1.00 0.00 C ATOM 995 C PRO A 75 0.024 -16.140 5.135 1.00 0.00 C ATOM 996 O PRO A 75 0.076 -16.720 6.219 1.00 0.00 O ATOM 997 CB PRO A 75 0.087 -17.926 3.371 1.00 0.00 C ATOM 998 CG PRO A 75 0.799 -19.068 4.009 1.00 0.00 C ATOM 999 CD PRO A 75 2.226 -18.626 4.176 1.00 0.00 C ATOM 0 HA PRO A 75 0.816 -15.847 3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.974 -17.933 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.161 -17.971 2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.353 -19.317 4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 75 0.738 -19.962 3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.678 -19.057 5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.842 -18.928 3.329 1.00 0.00 H new ATOM 1007 N GLY A 76 -0.681 -15.030 4.941 1.00 0.00 N ATOM 1008 CA GLY A 76 -1.439 -14.434 6.026 1.00 0.00 C ATOM 1009 C GLY A 76 -1.958 -13.053 5.679 1.00 0.00 C ATOM 1010 O GLY A 76 -1.821 -12.598 4.544 1.00 0.00 O ATOM 0 H GLY A 76 -0.741 -14.533 4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.279 -15.082 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.809 -14.370 6.913 1.00 0.00 H new ATOM 1014 N ASN A 77 -2.558 -12.384 6.659 1.00 0.00 N ATOM 1015 CA ASN A 77 -3.102 -11.047 6.451 1.00 0.00 C ATOM 1016 C ASN A 77 -2.091 -9.980 6.855 1.00 0.00 C ATOM 1017 O ASN A 77 -1.975 -9.632 8.031 1.00 0.00 O ATOM 1018 CB ASN A 77 -4.394 -10.870 7.251 1.00 0.00 C ATOM 1019 CG ASN A 77 -4.164 -10.945 8.748 1.00 0.00 C ATOM 1020 OD1 ASN A 77 -3.278 -11.661 9.215 1.00 0.00 O ATOM 1021 ND2 ASN A 77 -4.962 -10.205 9.507 1.00 0.00 N ATOM 0 H ASN A 77 -2.680 -12.746 7.605 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.321 -10.932 5.389 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.842 -9.908 7.003 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.108 -11.639 6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.854 -10.215 10.521 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.683 -9.626 9.076 1.00 0.00 H new ATOM 1028 N TYR A 78 -1.361 -9.462 5.874 1.00 0.00 N ATOM 1029 CA TYR A 78 -0.358 -8.434 6.127 1.00 0.00 C ATOM 1030 C TYR A 78 -0.976 -7.041 6.061 1.00 0.00 C ATOM 1031 O TYR A 78 -1.542 -6.649 5.041 1.00 0.00 O ATOM 1032 CB TYR A 78 0.784 -8.546 5.115 1.00 0.00 C ATOM 1033 CG TYR A 78 1.689 -9.734 5.350 1.00 0.00 C ATOM 1034 CD1 TYR A 78 1.299 -11.015 4.980 1.00 0.00 C ATOM 1035 CD2 TYR A 78 2.935 -9.575 5.944 1.00 0.00 C ATOM 1036 CE1 TYR A 78 2.122 -12.103 5.194 1.00 0.00 C ATOM 1037 CE2 TYR A 78 3.765 -10.658 6.162 1.00 0.00 C ATOM 1038 CZ TYR A 78 3.354 -11.920 5.785 1.00 0.00 C ATOM 1039 OH TYR A 78 4.178 -13.001 6.000 1.00 0.00 O ATOM 0 H TYR A 78 -1.445 -9.737 4.895 1.00 0.00 H new ATOM 0 HA TYR A 78 0.038 -8.588 7.131 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.363 -8.614 4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.380 -7.634 5.150 1.00 0.00 H new ATOM 0 HD1 TYR A 78 0.335 -11.163 4.517 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.260 -8.589 6.240 1.00 0.00 H new ATOM 0 HE1 TYR A 78 1.802 -13.092 4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.730 -10.517 6.625 1.00 0.00 H new ATOM 0 HH TYR A 78 3.841 -13.774 5.500 1.00 0.00 H new ATOM 1049 N GLU A 79 -0.862 -6.299 7.157 1.00 0.00 N ATOM 1050 CA GLU A 79 -1.410 -4.949 7.225 1.00 0.00 C ATOM 1051 C GLU A 79 -0.343 -3.911 6.884 1.00 0.00 C ATOM 1052 O GLU A 79 0.494 -3.569 7.718 1.00 0.00 O ATOM 1053 CB GLU A 79 -1.977 -4.674 8.618 1.00 0.00 C ATOM 1054 CG GLU A 79 -3.125 -3.678 8.623 1.00 0.00 C ATOM 1055 CD GLU A 79 -3.337 -3.038 9.981 1.00 0.00 C ATOM 1056 OE1 GLU A 79 -2.494 -2.208 10.383 1.00 0.00 O ATOM 1057 OE2 GLU A 79 -4.344 -3.367 10.643 1.00 0.00 O ATOM 0 H GLU A 79 -0.396 -6.609 8.010 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.214 -4.874 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.320 -5.613 9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.179 -4.299 9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.929 -2.900 7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.041 -4.184 8.317 1.00 0.00 H new ATOM 1064 N VAL A 80 -0.383 -3.414 5.651 1.00 0.00 N ATOM 1065 CA VAL A 80 0.579 -2.416 5.198 1.00 0.00 C ATOM 1066 C VAL A 80 0.116 -1.007 5.553 1.00 0.00 C ATOM 1067 O VAL A 80 -0.844 -0.495 4.977 1.00 0.00 O ATOM 1068 CB VAL A 80 0.803 -2.503 3.677 1.00 0.00 C ATOM 1069 CG1 VAL A 80 2.021 -1.687 3.270 1.00 0.00 C ATOM 1070 CG2 VAL A 80 0.953 -3.953 3.244 1.00 0.00 C ATOM 0 H VAL A 80 -1.071 -3.686 4.949 1.00 0.00 H new ATOM 0 HA VAL A 80 1.519 -2.626 5.709 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.069 -2.086 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.164 -1.760 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.869 -0.644 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.904 -2.072 3.780 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.111 -3.996 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.807 -4.398 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.049 -4.505 3.501 1.00 0.00 H new ATOM 1080 N SER A 81 0.805 -0.385 6.504 1.00 0.00 N ATOM 1081 CA SER A 81 0.463 0.963 6.938 1.00 0.00 C ATOM 1082 C SER A 81 1.162 2.007 6.073 1.00 0.00 C ATOM 1083 O SER A 81 2.383 1.977 5.910 1.00 0.00 O ATOM 1084 CB SER A 81 0.847 1.163 8.406 1.00 0.00 C ATOM 1085 OG SER A 81 -0.042 0.467 9.264 1.00 0.00 O ATOM 0 H SER A 81 1.604 -0.794 6.989 1.00 0.00 H new ATOM 0 HA SER A 81 -0.614 1.089 6.831 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.866 0.812 8.570 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.833 2.226 8.647 1.00 0.00 H new ATOM 0 HG SER A 81 0.225 0.609 10.196 1.00 0.00 H new ATOM 1091 N ILE A 82 0.381 2.928 5.520 1.00 0.00 N ATOM 1092 CA ILE A 82 0.924 3.981 4.672 1.00 0.00 C ATOM 1093 C ILE A 82 0.663 5.359 5.270 1.00 0.00 C ATOM 1094 O ILE A 82 -0.452 5.663 5.696 1.00 0.00 O ATOM 1095 CB ILE A 82 0.325 3.928 3.254 1.00 0.00 C ATOM 1096 CG1 ILE A 82 0.635 2.582 2.595 1.00 0.00 C ATOM 1097 CG2 ILE A 82 0.862 5.074 2.408 1.00 0.00 C ATOM 1098 CD1 ILE A 82 0.232 2.514 1.140 1.00 0.00 C ATOM 0 H ILE A 82 -0.631 2.966 5.644 1.00 0.00 H new ATOM 0 HA ILE A 82 1.999 3.812 4.610 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.757 4.034 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.704 2.384 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.122 1.792 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.429 5.023 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.595 6.024 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.947 4.997 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.482 1.532 0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.842 2.680 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.765 3.281 0.579 1.00 0.00 H new ATOM 1110 N LYS A 83 1.698 6.192 5.298 1.00 0.00 N ATOM 1111 CA LYS A 83 1.581 7.540 5.841 1.00 0.00 C ATOM 1112 C LYS A 83 2.153 8.569 4.871 1.00 0.00 C ATOM 1113 O LYS A 83 3.312 8.478 4.465 1.00 0.00 O ATOM 1114 CB LYS A 83 2.305 7.634 7.186 1.00 0.00 C ATOM 1115 CG LYS A 83 1.457 7.190 8.366 1.00 0.00 C ATOM 1116 CD LYS A 83 1.875 7.891 9.648 1.00 0.00 C ATOM 1117 CE LYS A 83 3.227 7.397 10.138 1.00 0.00 C ATOM 1118 NZ LYS A 83 3.194 5.951 10.492 1.00 0.00 N ATOM 0 H LYS A 83 2.628 5.957 4.951 1.00 0.00 H new ATOM 0 HA LYS A 83 0.523 7.755 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.207 7.023 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.624 8.664 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.407 7.401 8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.547 6.111 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.919 8.967 9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.123 7.721 10.419 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.977 7.565 9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.532 7.977 11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.002 5.726 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.307 5.736 10.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.250 5.380 9.625 1.00 0.00 H new ATOM 1132 N PHE A 84 1.333 9.548 4.504 1.00 0.00 N ATOM 1133 CA PHE A 84 1.758 10.595 3.583 1.00 0.00 C ATOM 1134 C PHE A 84 2.023 11.901 4.326 1.00 0.00 C ATOM 1135 O PHE A 84 1.094 12.584 4.753 1.00 0.00 O ATOM 1136 CB PHE A 84 0.696 10.817 2.504 1.00 0.00 C ATOM 1137 CG PHE A 84 0.983 11.989 1.610 1.00 0.00 C ATOM 1138 CD1 PHE A 84 0.611 13.270 1.984 1.00 0.00 C ATOM 1139 CD2 PHE A 84 1.625 11.810 0.395 1.00 0.00 C ATOM 1140 CE1 PHE A 84 0.875 14.351 1.164 1.00 0.00 C ATOM 1141 CE2 PHE A 84 1.892 12.887 -0.429 1.00 0.00 C ATOM 1142 CZ PHE A 84 1.515 14.159 -0.045 1.00 0.00 C ATOM 0 H PHE A 84 0.371 9.638 4.830 1.00 0.00 H new ATOM 0 HA PHE A 84 2.686 10.272 3.110 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.616 9.917 1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.272 10.965 2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.109 13.426 2.927 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.920 10.817 0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.581 15.345 1.468 1.00 0.00 H new ATOM 0 HE2 PHE A 84 2.395 12.734 -1.372 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.720 15.002 -0.689 1.00 0.00 H new ATOM 1152 N ASN A 85 3.299 12.240 4.478 1.00 0.00 N ATOM 1153 CA ASN A 85 3.688 13.464 5.171 1.00 0.00 C ATOM 1154 C ASN A 85 3.298 13.400 6.644 1.00 0.00 C ATOM 1155 O ASN A 85 2.831 14.385 7.217 1.00 0.00 O ATOM 1156 CB ASN A 85 3.033 14.679 4.511 1.00 0.00 C ATOM 1157 CG ASN A 85 3.222 14.690 3.006 1.00 0.00 C ATOM 1158 OD1 ASN A 85 3.598 13.682 2.408 1.00 0.00 O ATOM 1159 ND2 ASN A 85 2.961 15.836 2.386 1.00 0.00 N ATOM 0 H ASN A 85 4.081 11.685 4.131 1.00 0.00 H new ATOM 0 HA ASN A 85 4.771 13.563 5.103 1.00 0.00 H new ATOM 0 HB2 ASN A 85 1.968 14.684 4.741 1.00 0.00 H new ATOM 0 HB3 ASN A 85 3.455 15.591 4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.070 15.905 1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.652 16.647 2.922 1.00 0.00 H new ATOM 1166 N ASP A 86 3.495 12.236 7.253 1.00 0.00 N ATOM 1167 CA ASP A 86 3.166 12.044 8.661 1.00 0.00 C ATOM 1168 C ASP A 86 1.657 12.092 8.878 1.00 0.00 C ATOM 1169 O ASP A 86 1.180 12.654 9.863 1.00 0.00 O ATOM 1170 CB ASP A 86 3.851 13.111 9.516 1.00 0.00 C ATOM 1171 CG ASP A 86 5.262 13.411 9.050 1.00 0.00 C ATOM 1172 OD1 ASP A 86 5.916 12.492 8.512 1.00 0.00 O ATOM 1173 OD2 ASP A 86 5.711 14.562 9.220 1.00 0.00 O ATOM 0 H ASP A 86 3.881 11.411 6.794 1.00 0.00 H new ATOM 0 HA ASP A 86 3.527 11.061 8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.261 14.027 9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.878 12.779 10.554 1.00 0.00 H new ATOM 1178 N GLU A 87 0.911 11.498 7.950 1.00 0.00 N ATOM 1179 CA GLU A 87 -0.543 11.475 8.040 1.00 0.00 C ATOM 1180 C GLU A 87 -1.099 10.152 7.523 1.00 0.00 C ATOM 1181 O GLU A 87 -0.601 9.596 6.544 1.00 0.00 O ATOM 1182 CB GLU A 87 -1.144 12.638 7.248 1.00 0.00 C ATOM 1183 CG GLU A 87 -1.302 13.911 8.062 1.00 0.00 C ATOM 1184 CD GLU A 87 -2.014 15.009 7.295 1.00 0.00 C ATOM 1185 OE1 GLU A 87 -1.729 15.173 6.090 1.00 0.00 O ATOM 1186 OE2 GLU A 87 -2.856 15.704 7.901 1.00 0.00 O ATOM 0 H GLU A 87 1.291 11.027 7.129 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.818 11.579 9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.511 12.845 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.119 12.339 6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.859 13.689 8.972 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.318 14.266 8.369 1.00 0.00 H new ATOM 1193 N HIS A 88 -2.136 9.651 8.188 1.00 0.00 N ATOM 1194 CA HIS A 88 -2.761 8.392 7.796 1.00 0.00 C ATOM 1195 C HIS A 88 -3.914 8.638 6.827 1.00 0.00 C ATOM 1196 O HIS A 88 -4.974 9.124 7.221 1.00 0.00 O ATOM 1197 CB HIS A 88 -3.266 7.644 9.030 1.00 0.00 C ATOM 1198 CG HIS A 88 -2.254 6.709 9.619 1.00 0.00 C ATOM 1199 ND1 HIS A 88 -2.197 5.368 9.308 1.00 0.00 N ATOM 1200 CD2 HIS A 88 -1.255 6.931 10.505 1.00 0.00 C ATOM 1201 CE1 HIS A 88 -1.209 4.804 9.977 1.00 0.00 C ATOM 1202 NE2 HIS A 88 -0.620 5.731 10.712 1.00 0.00 N ATOM 0 H HIS A 88 -2.561 10.098 9.001 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.011 7.782 7.293 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.563 8.369 9.788 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.159 7.079 8.762 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.004 7.876 10.964 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -0.929 3.762 9.932 1.00 0.00 H new ATOM 0 HE2 HIS A 88 0.176 5.580 11.332 1.00 0.00 H new ATOM 1210 N ILE A 89 -3.698 8.299 5.561 1.00 0.00 N ATOM 1211 CA ILE A 89 -4.719 8.482 4.538 1.00 0.00 C ATOM 1212 C ILE A 89 -5.968 7.666 4.855 1.00 0.00 C ATOM 1213 O ILE A 89 -5.930 6.697 5.613 1.00 0.00 O ATOM 1214 CB ILE A 89 -4.198 8.081 3.144 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -3.197 6.930 3.262 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -3.560 9.277 2.454 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -3.145 6.046 2.036 1.00 0.00 C ATOM 0 H ILE A 89 -2.825 7.896 5.219 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.972 9.542 4.532 1.00 0.00 H new ATOM 0 HB ILE A 89 -5.040 7.744 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.204 7.340 3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.456 6.321 4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.197 8.979 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.300 10.070 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.726 9.641 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.414 5.252 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.127 5.607 1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.856 6.641 1.170 1.00 0.00 H new ATOM 1229 N PRO A 90 -7.102 8.064 4.260 1.00 0.00 N ATOM 1230 CA PRO A 90 -8.383 7.382 4.461 1.00 0.00 C ATOM 1231 C PRO A 90 -8.414 6.002 3.815 1.00 0.00 C ATOM 1232 O PRO A 90 -9.434 5.314 3.846 1.00 0.00 O ATOM 1233 CB PRO A 90 -9.392 8.313 3.782 1.00 0.00 C ATOM 1234 CG PRO A 90 -8.596 9.050 2.760 1.00 0.00 C ATOM 1235 CD PRO A 90 -7.220 9.211 3.343 1.00 0.00 C ATOM 0 HA PRO A 90 -8.588 7.206 5.517 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -10.204 7.750 3.322 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -9.846 8.997 4.500 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.560 8.498 1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.043 10.020 2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.451 9.189 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -7.115 10.159 3.870 1.00 0.00 H new ATOM 1243 N GLU A 91 -7.289 5.602 3.229 1.00 0.00 N ATOM 1244 CA GLU A 91 -7.188 4.302 2.575 1.00 0.00 C ATOM 1245 C GLU A 91 -6.165 3.416 3.281 1.00 0.00 C ATOM 1246 O GLU A 91 -5.965 2.262 2.905 1.00 0.00 O ATOM 1247 CB GLU A 91 -6.802 4.476 1.105 1.00 0.00 C ATOM 1248 CG GLU A 91 -7.846 5.214 0.285 1.00 0.00 C ATOM 1249 CD GLU A 91 -7.410 5.434 -1.151 1.00 0.00 C ATOM 1250 OE1 GLU A 91 -6.815 4.508 -1.740 1.00 0.00 O ATOM 1251 OE2 GLU A 91 -7.666 6.533 -1.686 1.00 0.00 O ATOM 0 H GLU A 91 -6.435 6.159 3.194 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.163 3.817 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.858 5.018 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.633 3.494 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.778 4.648 0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.053 6.178 0.750 1.00 0.00 H new ATOM 1258 N SER A 92 -5.521 3.966 4.305 1.00 0.00 N ATOM 1259 CA SER A 92 -4.516 3.229 5.060 1.00 0.00 C ATOM 1260 C SER A 92 -4.880 3.174 6.541 1.00 0.00 C ATOM 1261 O SER A 92 -5.585 4.035 7.065 1.00 0.00 O ATOM 1262 CB SER A 92 -3.139 3.874 4.886 1.00 0.00 C ATOM 1263 OG SER A 92 -2.900 4.843 5.892 1.00 0.00 O ATOM 0 H SER A 92 -5.678 4.920 4.631 1.00 0.00 H new ATOM 0 HA SER A 92 -4.483 2.211 4.673 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.366 3.106 4.925 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.074 4.341 3.903 1.00 0.00 H new ATOM 0 HG SER A 92 -1.941 5.042 5.933 1.00 0.00 H new ATOM 1269 N PRO A 93 -4.387 2.136 7.233 1.00 0.00 N ATOM 1270 CA PRO A 93 -3.546 1.103 6.620 1.00 0.00 C ATOM 1271 C PRO A 93 -4.327 0.217 5.656 1.00 0.00 C ATOM 1272 O PRO A 93 -5.548 0.328 5.545 1.00 0.00 O ATOM 1273 CB PRO A 93 -3.056 0.287 7.819 1.00 0.00 C ATOM 1274 CG PRO A 93 -4.094 0.492 8.867 1.00 0.00 C ATOM 1275 CD PRO A 93 -4.614 1.889 8.667 1.00 0.00 C ATOM 0 HA PRO A 93 -2.742 1.533 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.954 -0.768 7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.078 0.630 8.158 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.896 -0.240 8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.671 0.372 9.864 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.670 1.965 8.926 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.081 2.609 9.288 1.00 0.00 H new ATOM 1283 N TYR A 94 -3.615 -0.664 4.961 1.00 0.00 N ATOM 1284 CA TYR A 94 -4.242 -1.569 4.004 1.00 0.00 C ATOM 1285 C TYR A 94 -4.154 -3.014 4.485 1.00 0.00 C ATOM 1286 O TYR A 94 -3.218 -3.391 5.190 1.00 0.00 O ATOM 1287 CB TYR A 94 -3.578 -1.434 2.632 1.00 0.00 C ATOM 1288 CG TYR A 94 -3.742 -0.065 2.012 1.00 0.00 C ATOM 1289 CD1 TYR A 94 -2.975 1.011 2.443 1.00 0.00 C ATOM 1290 CD2 TYR A 94 -4.664 0.153 0.996 1.00 0.00 C ATOM 1291 CE1 TYR A 94 -3.123 2.264 1.880 1.00 0.00 C ATOM 1292 CE2 TYR A 94 -4.817 1.402 0.426 1.00 0.00 C ATOM 1293 CZ TYR A 94 -4.044 2.454 0.872 1.00 0.00 C ATOM 1294 OH TYR A 94 -4.193 3.700 0.307 1.00 0.00 O ATOM 0 H TYR A 94 -2.604 -0.771 5.042 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.294 -1.297 3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.515 -1.655 2.729 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.999 -2.181 1.959 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.251 0.865 3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.272 -0.668 0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.520 3.090 2.228 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.537 1.554 -0.364 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.314 4.051 0.053 1.00 0.00 H new ATOM 1304 N LEU A 95 -5.136 -3.820 4.095 1.00 0.00 N ATOM 1305 CA LEU A 95 -5.172 -5.226 4.484 1.00 0.00 C ATOM 1306 C LEU A 95 -5.151 -6.131 3.257 1.00 0.00 C ATOM 1307 O LEU A 95 -6.140 -6.233 2.531 1.00 0.00 O ATOM 1308 CB LEU A 95 -6.418 -5.512 5.322 1.00 0.00 C ATOM 1309 CG LEU A 95 -6.403 -6.814 6.125 1.00 0.00 C ATOM 1310 CD1 LEU A 95 -5.306 -6.779 7.177 1.00 0.00 C ATOM 1311 CD2 LEU A 95 -7.759 -7.057 6.773 1.00 0.00 C ATOM 0 H LEU A 95 -5.917 -3.524 3.510 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.285 -5.435 5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.564 -4.683 6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.282 -5.528 4.658 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.197 -7.638 5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.310 -7.713 7.738 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.339 -6.653 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.481 -5.946 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.730 -7.987 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.995 -6.231 7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.524 -7.127 6.000 1.00 0.00 H new ATOM 1323 N VAL A 96 -4.017 -6.789 3.031 1.00 0.00 N ATOM 1324 CA VAL A 96 -3.869 -7.688 1.894 1.00 0.00 C ATOM 1325 C VAL A 96 -3.736 -9.137 2.352 1.00 0.00 C ATOM 1326 O VAL A 96 -2.710 -9.551 2.891 1.00 0.00 O ATOM 1327 CB VAL A 96 -2.642 -7.316 1.040 1.00 0.00 C ATOM 1328 CG1 VAL A 96 -2.611 -8.140 -0.238 1.00 0.00 C ATOM 1329 CG2 VAL A 96 -2.642 -5.828 0.727 1.00 0.00 C ATOM 0 H VAL A 96 -3.188 -6.715 3.621 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.769 -7.583 1.288 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.741 -7.543 1.611 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.737 -7.863 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.558 -9.199 0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.515 -7.949 -0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.768 -5.583 0.123 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.547 -5.572 0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.611 -5.261 1.657 1.00 0.00 H new ATOM 1339 N PRO A 97 -4.799 -9.926 2.133 1.00 0.00 N ATOM 1340 CA PRO A 97 -4.825 -11.340 2.515 1.00 0.00 C ATOM 1341 C PRO A 97 -3.894 -12.190 1.657 1.00 0.00 C ATOM 1342 O PRO A 97 -4.304 -12.741 0.635 1.00 0.00 O ATOM 1343 CB PRO A 97 -6.283 -11.744 2.281 1.00 0.00 C ATOM 1344 CG PRO A 97 -6.778 -10.793 1.246 1.00 0.00 C ATOM 1345 CD PRO A 97 -6.055 -9.499 1.495 1.00 0.00 C ATOM 0 HA PRO A 97 -4.485 -11.491 3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.358 -12.776 1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.867 -11.670 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.574 -11.167 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -7.857 -10.659 1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -5.870 -8.957 0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -6.629 -8.836 2.142 1.00 0.00 H new ATOM 1353 N VAL A 98 -2.637 -12.293 2.080 1.00 0.00 N ATOM 1354 CA VAL A 98 -1.647 -13.077 1.350 1.00 0.00 C ATOM 1355 C VAL A 98 -1.872 -14.570 1.554 1.00 0.00 C ATOM 1356 O VAL A 98 -1.839 -15.066 2.681 1.00 0.00 O ATOM 1357 CB VAL A 98 -0.215 -12.719 1.790 1.00 0.00 C ATOM 1358 CG1 VAL A 98 0.805 -13.450 0.929 1.00 0.00 C ATOM 1359 CG2 VAL A 98 0.002 -11.215 1.726 1.00 0.00 C ATOM 0 H VAL A 98 -2.281 -11.844 2.924 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.766 -12.836 0.294 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.080 -13.038 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.811 -13.186 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 98 0.662 -14.526 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.673 -13.163 -0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.019 -10.980 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.151 -10.868 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.706 -10.717 2.388 1.00 0.00 H new ATOM 1369 N ILE A 99 -2.099 -15.285 0.456 1.00 0.00 N ATOM 1370 CA ILE A 99 -2.327 -16.723 0.514 1.00 0.00 C ATOM 1371 C ILE A 99 -1.235 -17.483 -0.231 1.00 0.00 C ATOM 1372 O ILE A 99 -0.597 -16.945 -1.136 1.00 0.00 O ATOM 1373 CB ILE A 99 -3.696 -17.100 -0.081 1.00 0.00 C ATOM 1374 CG1 ILE A 99 -3.773 -16.678 -1.549 1.00 0.00 C ATOM 1375 CG2 ILE A 99 -4.817 -16.454 0.720 1.00 0.00 C ATOM 1376 CD1 ILE A 99 -4.715 -17.527 -2.373 1.00 0.00 C ATOM 0 H ILE A 99 -2.130 -14.891 -0.484 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.308 -17.003 1.567 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.813 -18.182 -0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.093 -15.637 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.776 -16.728 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.779 -16.730 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.772 -16.799 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.705 -15.370 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.719 -17.171 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.384 -18.565 -2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.722 -17.458 -1.961 1.00 0.00 H new ATOM 1388 N ALA A 100 -1.027 -18.737 0.153 1.00 0.00 N ATOM 1389 CA ALA A 100 -0.015 -19.573 -0.481 1.00 0.00 C ATOM 1390 C ALA A 100 -0.522 -20.141 -1.802 1.00 0.00 C ATOM 1391 O ALA A 100 -1.453 -20.945 -1.844 1.00 0.00 O ATOM 1392 CB ALA A 100 0.401 -20.699 0.455 1.00 0.00 C ATOM 0 H ALA A 100 -1.546 -19.197 0.901 1.00 0.00 H new ATOM 0 HA ALA A 100 0.855 -18.951 -0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.157 -21.316 -0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.812 -20.277 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.468 -21.312 0.695 1.00 0.00 H new ATOM 1398 N PRO A 101 0.105 -19.715 -2.909 1.00 0.00 N ATOM 1399 CA PRO A 101 -0.266 -20.168 -4.253 1.00 0.00 C ATOM 1400 C PRO A 101 0.097 -21.630 -4.492 1.00 0.00 C ATOM 1401 O PRO A 101 1.214 -22.057 -4.204 1.00 0.00 O ATOM 1402 CB PRO A 101 0.550 -19.256 -5.173 1.00 0.00 C ATOM 1403 CG PRO A 101 1.721 -18.840 -4.350 1.00 0.00 C ATOM 1404 CD PRO A 101 1.224 -18.758 -2.934 1.00 0.00 C ATOM 0 HA PRO A 101 -1.342 -20.111 -4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.866 -19.782 -6.074 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.034 -18.394 -5.496 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.535 -19.560 -4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.110 -17.878 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.001 -19.029 -2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.896 -17.750 -2.681 1.00 0.00 H new