USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 445 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= -0.696 (180deg=-0.702) USER MOD Single : A 48 MET CE :methyl 156:sc= -4.88! (180deg=-5.87!) USER MOD Single : A 52 ASN :FLIP amide:sc= -2.89! C(o=-4.5!,f=-2.9!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.126 USER MOD Single : A 60 MET CE :methyl -121:sc= -2.39 (180deg=-7.2!) USER MOD Single : A 62 MET CE :methyl -154:sc= -2.41! (180deg=-3.08!) USER MOD Single : A 66 THR OG1 : rot 87:sc= 0.693 USER MOD Single : A 69 SER OG : rot -42:sc= 0.12 USER MOD Single : A 70 MET CE :methyl 158:sc= -5.25! (180deg=-6.91!) USER MOD ----------------------------------------------------------------- ATOM 123 N PRO A 8 -8.076 7.131 -0.789 1.00 0.00 N ATOM 124 CA PRO A 8 -8.403 5.819 -0.204 1.00 0.00 C ATOM 125 C PRO A 8 -7.584 5.583 1.071 1.00 0.00 C ATOM 126 O PRO A 8 -6.700 6.354 1.390 1.00 0.00 O ATOM 127 CB PRO A 8 -8.007 4.828 -1.303 1.00 0.00 C ATOM 128 CG PRO A 8 -6.977 5.558 -2.199 1.00 0.00 C ATOM 129 CD PRO A 8 -7.174 7.067 -1.958 1.00 0.00 C ATOM 0 HA PRO A 8 -9.449 5.726 0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.576 3.924 -0.874 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.878 4.522 -1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.961 5.255 -1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.132 5.310 -3.249 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.226 7.566 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.613 7.555 -2.828 1.00 0.00 H new ATOM 137 N PRO A 9 -7.907 4.519 1.763 1.00 0.00 N ATOM 138 CA PRO A 9 -7.222 4.144 3.012 1.00 0.00 C ATOM 139 C PRO A 9 -5.858 3.514 2.709 1.00 0.00 C ATOM 140 O PRO A 9 -5.139 3.118 3.604 1.00 0.00 O ATOM 141 CB PRO A 9 -8.169 3.122 3.649 1.00 0.00 C ATOM 142 CG PRO A 9 -9.035 2.556 2.500 1.00 0.00 C ATOM 143 CD PRO A 9 -8.984 3.590 1.360 1.00 0.00 C ATOM 0 HA PRO A 9 -7.022 4.995 3.663 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.609 2.327 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.792 3.591 4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.653 1.592 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -10.061 2.395 2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.765 3.117 0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.937 4.108 1.249 1.00 0.00 H new ATOM 151 N ALA A 10 -5.503 3.426 1.454 1.00 0.00 N ATOM 152 CA ALA A 10 -4.186 2.827 1.079 1.00 0.00 C ATOM 153 C ALA A 10 -4.287 1.299 1.091 1.00 0.00 C ATOM 154 O ALA A 10 -4.251 0.662 0.059 1.00 0.00 O ATOM 155 CB ALA A 10 -3.109 3.277 2.070 1.00 0.00 C ATOM 0 H ALA A 10 -6.071 3.744 0.669 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.917 3.162 0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.151 2.837 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.028 4.364 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.380 2.951 3.074 1.00 0.00 H new ATOM 161 N ALA A 11 -4.408 0.705 2.247 1.00 0.00 N ATOM 162 CA ALA A 11 -4.504 -0.783 2.326 1.00 0.00 C ATOM 163 C ALA A 11 -5.395 -1.319 1.199 1.00 0.00 C ATOM 164 O ALA A 11 -5.249 -2.446 0.767 1.00 0.00 O ATOM 165 CB ALA A 11 -5.106 -1.180 3.675 1.00 0.00 C ATOM 0 H ALA A 11 -4.445 1.188 3.145 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.506 -1.208 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.178 -2.266 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.469 -0.812 4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.101 -0.745 3.772 1.00 0.00 H new ATOM 171 N VAL A 12 -6.319 -0.530 0.725 1.00 0.00 N ATOM 172 CA VAL A 12 -7.217 -1.008 -0.365 1.00 0.00 C ATOM 173 C VAL A 12 -6.434 -1.115 -1.680 1.00 0.00 C ATOM 174 O VAL A 12 -6.501 -2.110 -2.374 1.00 0.00 O ATOM 175 CB VAL A 12 -8.389 -0.030 -0.522 1.00 0.00 C ATOM 176 CG1 VAL A 12 -7.967 1.175 -1.369 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.556 -0.746 -1.203 1.00 0.00 C ATOM 0 H VAL A 12 -6.491 0.423 1.044 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.605 -1.995 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.693 0.321 0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.809 1.860 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.138 1.689 -0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.654 0.834 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.391 -0.054 -1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.242 -1.100 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.868 -1.594 -0.594 1.00 0.00 H new ATOM 187 N LEU A 13 -5.699 -0.095 -2.033 1.00 0.00 N ATOM 188 CA LEU A 13 -4.919 -0.139 -3.304 1.00 0.00 C ATOM 189 C LEU A 13 -3.753 -1.121 -3.171 1.00 0.00 C ATOM 190 O LEU A 13 -3.526 -1.948 -4.031 1.00 0.00 O ATOM 191 CB LEU A 13 -4.372 1.256 -3.612 1.00 0.00 C ATOM 192 CG LEU A 13 -5.522 2.262 -3.633 1.00 0.00 C ATOM 193 CD1 LEU A 13 -4.965 3.678 -3.475 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.265 2.152 -4.967 1.00 0.00 C ATOM 0 H LEU A 13 -5.605 0.767 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.573 -0.467 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.637 1.544 -2.861 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.860 1.253 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.208 2.050 -2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.785 4.395 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.432 3.756 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.280 3.893 -4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.086 2.868 -4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.577 2.366 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.661 1.143 -5.081 1.00 0.00 H new ATOM 206 N LEU A 14 -3.007 -1.035 -2.103 1.00 0.00 N ATOM 207 CA LEU A 14 -1.854 -1.963 -1.925 1.00 0.00 C ATOM 208 C LEU A 14 -2.300 -3.395 -2.227 1.00 0.00 C ATOM 209 O LEU A 14 -1.742 -4.063 -3.073 1.00 0.00 O ATOM 210 CB LEU A 14 -1.343 -1.885 -0.482 1.00 0.00 C ATOM 211 CG LEU A 14 -1.308 -0.425 -0.018 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.462 -0.312 1.251 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.694 0.450 -1.110 1.00 0.00 C ATOM 0 H LEU A 14 -3.146 -0.364 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.054 -1.676 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.989 -2.468 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.346 -2.320 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.325 -0.091 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.437 0.727 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.898 -0.931 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.553 -0.651 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.671 1.487 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.322 0.113 -1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.294 0.374 -2.017 1.00 0.00 H new ATOM 225 N LYS A 15 -3.302 -3.871 -1.542 1.00 0.00 N ATOM 226 CA LYS A 15 -3.782 -5.259 -1.788 1.00 0.00 C ATOM 227 C LYS A 15 -4.147 -5.422 -3.266 1.00 0.00 C ATOM 228 O LYS A 15 -3.996 -6.481 -3.840 1.00 0.00 O ATOM 229 CB LYS A 15 -5.014 -5.532 -0.923 1.00 0.00 C ATOM 230 CG LYS A 15 -4.569 -5.884 0.497 1.00 0.00 C ATOM 231 CD LYS A 15 -5.171 -7.230 0.900 1.00 0.00 C ATOM 232 CE LYS A 15 -6.587 -7.016 1.440 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.557 -7.787 0.614 1.00 0.00 N ATOM 0 H LYS A 15 -3.810 -3.358 -0.821 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.993 -5.966 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.662 -4.656 -0.906 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.596 -6.350 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.481 -5.930 0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.888 -5.108 1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.196 -7.901 0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.549 -7.706 1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.643 -7.337 2.480 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.839 -5.956 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.519 -7.641 0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.510 -7.460 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.321 -8.799 0.655 1.00 0.00 H new ATOM 247 N LYS A 16 -4.628 -4.378 -3.885 1.00 0.00 N ATOM 248 CA LYS A 16 -5.004 -4.472 -5.325 1.00 0.00 C ATOM 249 C LYS A 16 -3.764 -4.795 -6.164 1.00 0.00 C ATOM 250 O LYS A 16 -3.817 -5.583 -7.088 1.00 0.00 O ATOM 251 CB LYS A 16 -5.593 -3.136 -5.784 1.00 0.00 C ATOM 252 CG LYS A 16 -6.773 -3.392 -6.723 1.00 0.00 C ATOM 253 CD LYS A 16 -6.249 -3.710 -8.125 1.00 0.00 C ATOM 254 CE LYS A 16 -7.224 -3.169 -9.172 1.00 0.00 C ATOM 255 NZ LYS A 16 -6.918 -3.779 -10.497 1.00 0.00 N ATOM 0 H LYS A 16 -4.777 -3.465 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.743 -5.263 -5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.921 -2.556 -4.921 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.831 -2.547 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.374 -4.222 -6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.422 -2.517 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.264 -3.264 -8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.132 -4.787 -8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.250 -3.398 -8.882 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.145 -2.084 -9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.581 -3.412 -11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.944 -3.539 -10.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.015 -4.813 -10.434 1.00 0.00 H new ATOM 269 N ALA A 17 -2.651 -4.190 -5.854 1.00 0.00 N ATOM 270 CA ALA A 17 -1.413 -4.463 -6.640 1.00 0.00 C ATOM 271 C ALA A 17 -1.147 -5.969 -6.677 1.00 0.00 C ATOM 272 O ALA A 17 -0.838 -6.530 -7.710 1.00 0.00 O ATOM 273 CB ALA A 17 -0.228 -3.751 -5.985 1.00 0.00 C ATOM 0 H ALA A 17 -2.544 -3.520 -5.093 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.543 -4.096 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.678 -3.949 -6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.416 -2.677 -5.963 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.101 -4.118 -4.967 1.00 0.00 H new ATOM 279 N ALA A 18 -1.259 -6.628 -5.557 1.00 0.00 N ATOM 280 CA ALA A 18 -1.007 -8.097 -5.527 1.00 0.00 C ATOM 281 C ALA A 18 -2.226 -8.841 -6.078 1.00 0.00 C ATOM 282 O ALA A 18 -2.128 -9.970 -6.518 1.00 0.00 O ATOM 283 CB ALA A 18 -0.748 -8.537 -4.084 1.00 0.00 C ATOM 0 H ALA A 18 -1.514 -6.213 -4.661 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.137 -8.329 -6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.563 -9.611 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.122 -8.010 -3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.618 -8.304 -3.471 1.00 0.00 H new ATOM 289 N GLY A 19 -3.374 -8.222 -6.057 1.00 0.00 N ATOM 290 CA GLY A 19 -4.595 -8.898 -6.580 1.00 0.00 C ATOM 291 C GLY A 19 -4.989 -10.039 -5.641 1.00 0.00 C ATOM 292 O GLY A 19 -5.104 -11.179 -6.046 1.00 0.00 O ATOM 0 H GLY A 19 -3.520 -7.278 -5.700 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.413 -8.182 -6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.408 -9.285 -7.582 1.00 0.00 H new ATOM 485 N ALA A 33 1.516 -13.740 -2.171 1.00 0.00 N ATOM 486 CA ALA A 33 1.100 -12.331 -1.924 1.00 0.00 C ATOM 487 C ALA A 33 2.336 -11.434 -1.826 1.00 0.00 C ATOM 488 O ALA A 33 2.530 -10.737 -0.849 1.00 0.00 O ATOM 489 CB ALA A 33 0.311 -12.257 -0.616 1.00 0.00 C ATOM 0 HA ALA A 33 0.475 -11.990 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.006 -11.227 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.573 -12.890 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.938 -12.601 0.207 1.00 0.00 H new ATOM 495 N THR A 34 3.171 -11.438 -2.828 1.00 0.00 N ATOM 496 CA THR A 34 4.384 -10.575 -2.783 1.00 0.00 C ATOM 497 C THR A 34 4.161 -9.339 -3.650 1.00 0.00 C ATOM 498 O THR A 34 3.899 -9.434 -4.833 1.00 0.00 O ATOM 499 CB THR A 34 5.595 -11.346 -3.312 1.00 0.00 C ATOM 500 OG1 THR A 34 5.155 -12.379 -4.181 1.00 0.00 O ATOM 501 CG2 THR A 34 6.372 -11.951 -2.143 1.00 0.00 C ATOM 0 H THR A 34 3.066 -11.999 -3.673 1.00 0.00 H new ATOM 0 HA THR A 34 4.569 -10.276 -1.751 1.00 0.00 H new ATOM 0 HB THR A 34 6.247 -10.665 -3.860 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.930 -12.872 -4.522 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.234 -12.499 -2.524 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.712 -11.155 -1.481 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.725 -12.631 -1.589 1.00 0.00 H new ATOM 509 N ILE A 35 4.265 -8.179 -3.071 1.00 0.00 N ATOM 510 CA ILE A 35 4.062 -6.932 -3.862 1.00 0.00 C ATOM 511 C ILE A 35 5.412 -6.258 -4.108 1.00 0.00 C ATOM 512 O ILE A 35 6.123 -5.918 -3.184 1.00 0.00 O ATOM 513 CB ILE A 35 3.154 -5.975 -3.089 1.00 0.00 C ATOM 514 CG1 ILE A 35 1.730 -6.533 -3.060 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.150 -4.608 -3.777 1.00 0.00 C ATOM 516 CD1 ILE A 35 0.787 -5.490 -2.457 1.00 0.00 C ATOM 0 H ILE A 35 4.482 -8.038 -2.084 1.00 0.00 H new ATOM 0 HA ILE A 35 3.598 -7.183 -4.816 1.00 0.00 H new ATOM 0 HB ILE A 35 3.524 -5.869 -2.069 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.408 -6.790 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.699 -7.450 -2.472 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.503 -3.925 -3.226 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.164 -4.209 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.780 -4.715 -4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.228 -5.886 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.106 -5.255 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.810 -4.585 -3.063 1.00 0.00 H new ATOM 528 N LYS A 36 5.770 -6.058 -5.346 1.00 0.00 N ATOM 529 CA LYS A 36 7.073 -5.402 -5.645 1.00 0.00 C ATOM 530 C LYS A 36 7.057 -3.970 -5.103 1.00 0.00 C ATOM 531 O LYS A 36 6.026 -3.332 -5.037 1.00 0.00 O ATOM 532 CB LYS A 36 7.294 -5.370 -7.159 1.00 0.00 C ATOM 533 CG LYS A 36 8.175 -6.550 -7.573 1.00 0.00 C ATOM 534 CD LYS A 36 8.191 -6.665 -9.099 1.00 0.00 C ATOM 535 CE LYS A 36 9.262 -5.734 -9.671 1.00 0.00 C ATOM 536 NZ LYS A 36 10.475 -6.527 -10.021 1.00 0.00 N ATOM 0 H LYS A 36 5.217 -6.320 -6.162 1.00 0.00 H new ATOM 0 HA LYS A 36 7.879 -5.963 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.337 -5.418 -7.678 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.766 -4.431 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.189 -6.410 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.797 -7.472 -7.132 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.394 -7.694 -9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.213 -6.404 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.881 -5.224 -10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.516 -4.964 -8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.203 -5.894 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.842 -6.994 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.227 -7.246 -10.730 1.00 0.00 H new ATOM 550 N ARG A 37 8.195 -3.461 -4.720 1.00 0.00 N ATOM 551 CA ARG A 37 8.252 -2.074 -4.190 1.00 0.00 C ATOM 552 C ARG A 37 8.084 -1.096 -5.348 1.00 0.00 C ATOM 553 O ARG A 37 7.572 -0.005 -5.191 1.00 0.00 O ATOM 554 CB ARG A 37 9.611 -1.845 -3.533 1.00 0.00 C ATOM 555 CG ARG A 37 9.438 -1.004 -2.269 1.00 0.00 C ATOM 556 CD ARG A 37 8.699 -1.816 -1.207 1.00 0.00 C ATOM 557 NE ARG A 37 9.270 -1.508 0.134 1.00 0.00 N ATOM 558 CZ ARG A 37 9.246 -0.285 0.586 1.00 0.00 C ATOM 559 NH1 ARG A 37 8.149 0.197 1.103 1.00 0.00 N ATOM 560 NH2 ARG A 37 10.318 0.457 0.521 1.00 0.00 N ATOM 0 H ARG A 37 9.090 -3.949 -4.752 1.00 0.00 H new ATOM 0 HA ARG A 37 7.459 -1.922 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.071 -2.801 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.281 -1.340 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.412 -0.694 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.881 -0.095 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.635 -1.578 -1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.791 -2.881 -1.418 1.00 0.00 H new ATOM 0 HE ARG A 37 9.679 -2.253 0.698 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.311 -0.383 1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.129 1.153 1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.175 0.080 0.116 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.298 1.413 0.875 1.00 0.00 H new ATOM 574 N ASP A 38 8.521 -1.483 -6.512 1.00 0.00 N ATOM 575 CA ASP A 38 8.400 -0.583 -7.688 1.00 0.00 C ATOM 576 C ASP A 38 6.922 -0.322 -7.995 1.00 0.00 C ATOM 577 O ASP A 38 6.585 0.557 -8.761 1.00 0.00 O ATOM 578 CB ASP A 38 9.064 -1.240 -8.900 1.00 0.00 C ATOM 579 CG ASP A 38 8.211 -2.417 -9.371 1.00 0.00 C ATOM 580 OD1 ASP A 38 7.312 -2.801 -8.643 1.00 0.00 O ATOM 581 OD2 ASP A 38 8.470 -2.915 -10.455 1.00 0.00 O ATOM 0 H ASP A 38 8.957 -2.386 -6.699 1.00 0.00 H new ATOM 0 HA ASP A 38 8.892 0.364 -7.468 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.177 -0.514 -9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.065 -1.584 -8.638 1.00 0.00 H new ATOM 586 N LYS A 39 6.038 -1.083 -7.407 1.00 0.00 N ATOM 587 CA LYS A 39 4.584 -0.879 -7.673 1.00 0.00 C ATOM 588 C LYS A 39 3.924 -0.238 -6.450 1.00 0.00 C ATOM 589 O LYS A 39 3.353 0.833 -6.529 1.00 0.00 O ATOM 590 CB LYS A 39 3.926 -2.230 -7.953 1.00 0.00 C ATOM 591 CG LYS A 39 4.005 -2.537 -9.449 1.00 0.00 C ATOM 592 CD LYS A 39 2.667 -3.108 -9.921 1.00 0.00 C ATOM 593 CE LYS A 39 2.916 -4.201 -10.962 1.00 0.00 C ATOM 594 NZ LYS A 39 1.642 -4.507 -11.672 1.00 0.00 N ATOM 0 H LYS A 39 6.259 -1.836 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 39 4.461 -0.225 -8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.425 -3.014 -7.383 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.885 -2.214 -7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.243 -1.630 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.806 -3.250 -9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.115 -3.517 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.053 -2.316 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.673 -3.874 -11.675 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.300 -5.099 -10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.809 -5.250 -12.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.933 -4.836 -10.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.294 -3.649 -12.146 1.00 0.00 H new ATOM 608 N VAL A 40 3.995 -0.885 -5.320 1.00 0.00 N ATOM 609 CA VAL A 40 3.373 -0.311 -4.097 1.00 0.00 C ATOM 610 C VAL A 40 3.862 1.131 -3.921 1.00 0.00 C ATOM 611 O VAL A 40 3.119 2.010 -3.531 1.00 0.00 O ATOM 612 CB VAL A 40 3.750 -1.183 -2.881 1.00 0.00 C ATOM 613 CG1 VAL A 40 4.908 -0.560 -2.089 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.530 -1.328 -1.968 1.00 0.00 C ATOM 0 H VAL A 40 4.457 -1.785 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 40 2.287 -0.300 -4.186 1.00 0.00 H new ATOM 0 HB VAL A 40 4.070 -2.160 -3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.151 -1.197 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.782 -0.467 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.615 0.427 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.791 -1.943 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.212 -0.343 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.717 -1.801 -2.519 1.00 0.00 H new ATOM 624 N ARG A 41 5.112 1.374 -4.208 1.00 0.00 N ATOM 625 CA ARG A 41 5.661 2.752 -4.065 1.00 0.00 C ATOM 626 C ARG A 41 4.896 3.701 -4.988 1.00 0.00 C ATOM 627 O ARG A 41 4.610 4.828 -4.637 1.00 0.00 O ATOM 628 CB ARG A 41 7.141 2.751 -4.452 1.00 0.00 C ATOM 629 CG ARG A 41 7.771 4.095 -4.078 1.00 0.00 C ATOM 630 CD ARG A 41 7.603 5.079 -5.237 1.00 0.00 C ATOM 631 NE ARG A 41 8.106 4.459 -6.496 1.00 0.00 N ATOM 632 CZ ARG A 41 8.010 5.103 -7.627 1.00 0.00 C ATOM 633 NH1 ARG A 41 7.336 6.221 -7.690 1.00 0.00 N ATOM 634 NH2 ARG A 41 8.586 4.628 -8.699 1.00 0.00 N ATOM 0 H ARG A 41 5.778 0.675 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 41 5.554 3.082 -3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.660 1.940 -3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.247 2.573 -5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.299 4.492 -3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.829 3.962 -3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.553 5.351 -5.348 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.150 5.999 -5.029 1.00 0.00 H new ATOM 0 HE ARG A 41 8.526 3.530 -6.473 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.884 6.592 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.262 6.723 -8.575 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.110 3.754 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.511 5.131 -9.583 1.00 0.00 H new ATOM 648 N GLU A 42 4.564 3.254 -6.168 1.00 0.00 N ATOM 649 CA GLU A 42 3.818 4.128 -7.117 1.00 0.00 C ATOM 650 C GLU A 42 2.498 4.563 -6.479 1.00 0.00 C ATOM 651 O GLU A 42 2.189 5.737 -6.406 1.00 0.00 O ATOM 652 CB GLU A 42 3.526 3.354 -8.405 1.00 0.00 C ATOM 653 CG GLU A 42 4.833 3.100 -9.157 1.00 0.00 C ATOM 654 CD GLU A 42 4.813 3.859 -10.485 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.729 4.105 -10.989 1.00 0.00 O ATOM 656 OE2 GLU A 42 5.882 4.182 -10.976 1.00 0.00 O ATOM 0 H GLU A 42 4.778 2.319 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 42 4.420 5.007 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.040 2.407 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.837 3.919 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.681 3.424 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.959 2.033 -9.338 1.00 0.00 H new ATOM 663 N ILE A 43 1.714 3.629 -6.018 1.00 0.00 N ATOM 664 CA ILE A 43 0.415 3.995 -5.387 1.00 0.00 C ATOM 665 C ILE A 43 0.656 5.033 -4.289 1.00 0.00 C ATOM 666 O ILE A 43 0.034 6.078 -4.259 1.00 0.00 O ATOM 667 CB ILE A 43 -0.225 2.748 -4.776 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.620 1.779 -5.893 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.470 3.149 -3.985 1.00 0.00 C ATOM 670 CD1 ILE A 43 -0.354 0.342 -5.441 1.00 0.00 C ATOM 0 H ILE A 43 1.916 2.630 -6.051 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.251 4.412 -6.143 1.00 0.00 H new ATOM 0 HB ILE A 43 0.488 2.263 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.674 1.904 -6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.051 1.998 -6.797 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.926 2.260 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.189 3.839 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.184 3.634 -4.651 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.635 -0.348 -6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.705 0.222 -5.215 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.942 0.126 -4.549 1.00 0.00 H new ATOM 682 N ALA A 44 1.554 4.754 -3.385 1.00 0.00 N ATOM 683 CA ALA A 44 1.836 5.721 -2.288 1.00 0.00 C ATOM 684 C ALA A 44 2.181 7.088 -2.885 1.00 0.00 C ATOM 685 O ALA A 44 1.846 8.118 -2.333 1.00 0.00 O ATOM 686 CB ALA A 44 3.015 5.212 -1.456 1.00 0.00 C ATOM 0 H ALA A 44 2.106 3.896 -3.359 1.00 0.00 H new ATOM 0 HA ALA A 44 0.956 5.818 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.224 5.917 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.767 4.240 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.895 5.116 -2.092 1.00 0.00 H new ATOM 692 N GLU A 45 2.844 7.107 -4.009 1.00 0.00 N ATOM 693 CA GLU A 45 3.207 8.408 -4.641 1.00 0.00 C ATOM 694 C GLU A 45 1.930 9.152 -5.034 1.00 0.00 C ATOM 695 O GLU A 45 1.818 10.348 -4.861 1.00 0.00 O ATOM 696 CB GLU A 45 4.055 8.153 -5.888 1.00 0.00 C ATOM 697 CG GLU A 45 4.983 9.345 -6.132 1.00 0.00 C ATOM 698 CD GLU A 45 5.560 9.259 -7.545 1.00 0.00 C ATOM 699 OE1 GLU A 45 5.352 8.243 -8.188 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.204 10.209 -7.961 1.00 0.00 O ATOM 0 H GLU A 45 3.150 6.278 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 45 3.778 9.010 -3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.641 7.243 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.410 7.999 -6.753 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.434 10.279 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.789 9.349 -5.398 1.00 0.00 H new ATOM 707 N LEU A 46 0.960 8.453 -5.555 1.00 0.00 N ATOM 708 CA LEU A 46 -0.309 9.128 -5.947 1.00 0.00 C ATOM 709 C LEU A 46 -0.966 9.704 -4.691 1.00 0.00 C ATOM 710 O LEU A 46 -1.657 10.702 -4.738 1.00 0.00 O ATOM 711 CB LEU A 46 -1.247 8.113 -6.605 1.00 0.00 C ATOM 712 CG LEU A 46 -1.575 8.571 -8.026 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.910 7.631 -9.033 1.00 0.00 C ATOM 714 CD2 LEU A 46 -3.092 8.545 -8.232 1.00 0.00 C ATOM 0 H LEU A 46 0.990 7.448 -5.726 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.103 9.930 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.778 7.129 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.163 8.016 -6.022 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.203 9.585 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.144 7.958 -10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.170 7.647 -8.887 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.281 6.617 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.327 8.871 -9.245 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.462 7.531 -8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.568 9.214 -7.515 1.00 0.00 H new ATOM 726 N LYS A 47 -0.744 9.082 -3.565 1.00 0.00 N ATOM 727 CA LYS A 47 -1.339 9.587 -2.293 1.00 0.00 C ATOM 728 C LYS A 47 -0.307 10.455 -1.569 1.00 0.00 C ATOM 729 O LYS A 47 -0.581 11.043 -0.542 1.00 0.00 O ATOM 730 CB LYS A 47 -1.722 8.408 -1.391 1.00 0.00 C ATOM 731 CG LYS A 47 -1.897 7.139 -2.229 1.00 0.00 C ATOM 732 CD LYS A 47 -3.079 6.338 -1.693 1.00 0.00 C ATOM 733 CE LYS A 47 -2.844 5.995 -0.221 1.00 0.00 C ATOM 734 NZ LYS A 47 -1.619 5.158 -0.094 1.00 0.00 N ATOM 0 H LYS A 47 -0.174 8.242 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.230 10.172 -2.519 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.951 8.252 -0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.647 8.632 -0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.064 7.400 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.989 6.537 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.999 6.913 -1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.205 5.424 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.735 6.909 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.705 5.461 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.450 4.939 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.747 4.273 -0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.803 5.677 -0.477 1.00 0.00 H new ATOM 748 N MET A 48 0.882 10.524 -2.098 1.00 0.00 N ATOM 749 CA MET A 48 1.955 11.337 -1.458 1.00 0.00 C ATOM 750 C MET A 48 1.464 12.772 -1.181 1.00 0.00 C ATOM 751 O MET A 48 1.676 13.286 -0.101 1.00 0.00 O ATOM 752 CB MET A 48 3.184 11.362 -2.380 1.00 0.00 C ATOM 753 CG MET A 48 4.059 12.582 -2.074 1.00 0.00 C ATOM 754 SD MET A 48 4.498 12.580 -0.319 1.00 0.00 S ATOM 755 CE MET A 48 6.229 13.056 -0.531 1.00 0.00 C ATOM 0 H MET A 48 1.160 10.047 -2.956 1.00 0.00 H new ATOM 0 HA MET A 48 2.223 10.886 -0.503 1.00 0.00 H new ATOM 0 HB2 MET A 48 3.764 10.449 -2.248 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.864 11.388 -3.422 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.961 12.560 -2.686 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.526 13.499 -2.326 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.592 13.524 0.384 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.826 12.170 -0.747 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.314 13.761 -1.358 1.00 0.00 H new ATOM 765 N PRO A 49 0.840 13.386 -2.159 1.00 0.00 N ATOM 766 CA PRO A 49 0.338 14.767 -2.021 1.00 0.00 C ATOM 767 C PRO A 49 -0.949 14.797 -1.191 1.00 0.00 C ATOM 768 O PRO A 49 -1.374 15.835 -0.725 1.00 0.00 O ATOM 769 CB PRO A 49 0.078 15.203 -3.465 1.00 0.00 C ATOM 770 CG PRO A 49 -0.095 13.905 -4.289 1.00 0.00 C ATOM 771 CD PRO A 49 0.568 12.775 -3.477 1.00 0.00 C ATOM 0 HA PRO A 49 1.037 15.425 -1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.815 15.825 -3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.908 15.798 -3.847 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.150 13.692 -4.459 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.372 14.003 -5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.090 11.911 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.486 12.429 -3.952 1.00 0.00 H new ATOM 779 N ASP A 50 -1.568 13.666 -0.998 1.00 0.00 N ATOM 780 CA ASP A 50 -2.821 13.629 -0.194 1.00 0.00 C ATOM 781 C ASP A 50 -2.557 12.887 1.120 1.00 0.00 C ATOM 782 O ASP A 50 -3.454 12.327 1.720 1.00 0.00 O ATOM 783 CB ASP A 50 -3.909 12.899 -0.982 1.00 0.00 C ATOM 784 CG ASP A 50 -3.752 13.208 -2.472 1.00 0.00 C ATOM 785 OD1 ASP A 50 -2.944 12.554 -3.111 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.442 14.094 -2.950 1.00 0.00 O ATOM 0 H ASP A 50 -1.260 12.765 -1.363 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.149 14.646 0.020 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.837 11.825 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.895 13.211 -0.637 1.00 0.00 H new ATOM 791 N LEU A 51 -1.331 12.875 1.570 1.00 0.00 N ATOM 792 CA LEU A 51 -1.010 12.164 2.842 1.00 0.00 C ATOM 793 C LEU A 51 -0.280 13.115 3.796 1.00 0.00 C ATOM 794 O LEU A 51 -0.037 12.793 4.941 1.00 0.00 O ATOM 795 CB LEU A 51 -0.113 10.963 2.536 1.00 0.00 C ATOM 796 CG LEU A 51 -0.842 9.670 2.905 1.00 0.00 C ATOM 797 CD1 LEU A 51 -1.725 9.230 1.736 1.00 0.00 C ATOM 798 CD2 LEU A 51 0.185 8.576 3.206 1.00 0.00 C ATOM 0 H LEU A 51 -0.539 13.326 1.113 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.934 11.824 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.151 10.954 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.818 11.040 3.097 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.462 9.841 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.244 8.309 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.456 10.009 1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.105 9.058 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.333 7.654 3.469 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.804 8.406 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.816 8.888 4.038 1.00 0.00 H new ATOM 810 N ASN A 52 0.076 14.283 3.332 1.00 0.00 N ATOM 811 CA ASN A 52 0.792 15.252 4.209 1.00 0.00 C ATOM 812 C ASN A 52 2.156 14.668 4.603 1.00 0.00 C ATOM 813 O ASN A 52 2.822 15.165 5.490 1.00 0.00 O ATOM 814 CB ASN A 52 -0.073 15.548 5.456 1.00 0.00 C ATOM 815 CG ASN A 52 0.508 14.884 6.714 1.00 0.00 C ATOM 816 OD1 ASN A 52 1.397 15.526 7.423 1.00 0.00 O flip ATOM 817 ND2 ASN A 52 0.147 13.775 7.051 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.099 14.608 2.381 1.00 0.00 H new ATOM 0 HA ASN A 52 0.961 16.189 3.679 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.137 16.625 5.608 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.089 15.189 5.289 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.547 13.274 6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.538 13.344 7.889 1.00 0.00 H new ATOM 824 N ALA A 53 2.573 13.617 3.954 1.00 0.00 N ATOM 825 CA ALA A 53 3.889 13.006 4.294 1.00 0.00 C ATOM 826 C ALA A 53 5.004 14.025 4.049 1.00 0.00 C ATOM 827 O ALA A 53 4.862 14.937 3.262 1.00 0.00 O ATOM 828 CB ALA A 53 4.121 11.774 3.418 1.00 0.00 C ATOM 0 H ALA A 53 2.060 13.155 3.203 1.00 0.00 H new ATOM 0 HA ALA A 53 3.892 12.711 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.084 11.327 3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.327 11.048 3.594 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.118 12.068 2.368 1.00 0.00 H new ATOM 834 N ALA A 54 6.115 13.875 4.718 1.00 0.00 N ATOM 835 CA ALA A 54 7.237 14.835 4.520 1.00 0.00 C ATOM 836 C ALA A 54 8.068 14.402 3.310 1.00 0.00 C ATOM 837 O ALA A 54 8.900 15.140 2.820 1.00 0.00 O ATOM 838 CB ALA A 54 8.123 14.846 5.768 1.00 0.00 C ATOM 0 H ALA A 54 6.294 13.130 5.392 1.00 0.00 H new ATOM 0 HA ALA A 54 6.837 15.834 4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.945 15.548 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.532 15.151 6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.525 13.847 5.938 1.00 0.00 H new ATOM 844 N SER A 55 7.847 13.212 2.826 1.00 0.00 N ATOM 845 CA SER A 55 8.622 12.728 1.649 1.00 0.00 C ATOM 846 C SER A 55 8.121 11.336 1.253 1.00 0.00 C ATOM 847 O SER A 55 7.395 10.698 1.988 1.00 0.00 O ATOM 848 CB SER A 55 10.105 12.653 2.011 1.00 0.00 C ATOM 849 OG SER A 55 10.236 12.442 3.411 1.00 0.00 O ATOM 0 H SER A 55 7.162 12.552 3.195 1.00 0.00 H new ATOM 0 HA SER A 55 8.488 13.416 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.585 11.842 1.463 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.609 13.575 1.722 1.00 0.00 H new ATOM 0 HG SER A 55 11.186 12.392 3.647 1.00 0.00 H new ATOM 855 N ILE A 56 8.505 10.860 0.100 1.00 0.00 N ATOM 856 CA ILE A 56 8.050 9.508 -0.332 1.00 0.00 C ATOM 857 C ILE A 56 8.565 8.466 0.660 1.00 0.00 C ATOM 858 O ILE A 56 7.845 7.581 1.075 1.00 0.00 O ATOM 859 CB ILE A 56 8.606 9.202 -1.720 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.023 10.188 -2.734 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.226 7.777 -2.122 1.00 0.00 C ATOM 862 CD1 ILE A 56 6.538 9.886 -2.941 1.00 0.00 C ATOM 0 H ILE A 56 9.112 11.347 -0.559 1.00 0.00 H new ATOM 0 HA ILE A 56 6.961 9.481 -0.364 1.00 0.00 H new ATOM 0 HB ILE A 56 9.692 9.297 -1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.151 11.210 -2.379 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.557 10.110 -3.681 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.624 7.560 -3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.642 7.073 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.140 7.681 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.121 10.588 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.422 8.869 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.011 9.986 -1.992 1.00 0.00 H new ATOM 874 N GLU A 57 9.807 8.562 1.046 1.00 0.00 N ATOM 875 CA GLU A 57 10.355 7.576 2.017 1.00 0.00 C ATOM 876 C GLU A 57 9.378 7.441 3.185 1.00 0.00 C ATOM 877 O GLU A 57 9.336 6.432 3.862 1.00 0.00 O ATOM 878 CB GLU A 57 11.709 8.066 2.533 1.00 0.00 C ATOM 879 CG GLU A 57 12.833 7.349 1.782 1.00 0.00 C ATOM 880 CD GLU A 57 13.262 8.193 0.581 1.00 0.00 C ATOM 881 OE1 GLU A 57 13.617 9.343 0.786 1.00 0.00 O ATOM 882 OE2 GLU A 57 13.230 7.677 -0.524 1.00 0.00 O ATOM 0 H GLU A 57 10.463 9.277 0.732 1.00 0.00 H new ATOM 0 HA GLU A 57 10.487 6.609 1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.794 9.144 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.793 7.875 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.681 7.184 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.494 6.368 1.448 1.00 0.00 H new ATOM 889 N ALA A 58 8.589 8.453 3.422 1.00 0.00 N ATOM 890 CA ALA A 58 7.607 8.392 4.539 1.00 0.00 C ATOM 891 C ALA A 58 6.290 7.806 4.024 1.00 0.00 C ATOM 892 O ALA A 58 5.601 7.097 4.729 1.00 0.00 O ATOM 893 CB ALA A 58 7.361 9.800 5.083 1.00 0.00 C ATOM 0 H ALA A 58 8.583 9.322 2.888 1.00 0.00 H new ATOM 0 HA ALA A 58 8.001 7.761 5.336 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.642 9.754 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.299 10.218 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.967 10.433 4.288 1.00 0.00 H new ATOM 899 N ALA A 59 5.935 8.092 2.798 1.00 0.00 N ATOM 900 CA ALA A 59 4.661 7.541 2.253 1.00 0.00 C ATOM 901 C ALA A 59 4.814 6.031 2.055 1.00 0.00 C ATOM 902 O ALA A 59 4.128 5.240 2.673 1.00 0.00 O ATOM 903 CB ALA A 59 4.340 8.206 0.913 1.00 0.00 C ATOM 0 H ALA A 59 6.468 8.679 2.156 1.00 0.00 H new ATOM 0 HA ALA A 59 3.848 7.740 2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.408 7.800 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.235 9.281 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.148 8.011 0.207 1.00 0.00 H new ATOM 909 N MET A 60 5.714 5.621 1.204 1.00 0.00 N ATOM 910 CA MET A 60 5.910 4.163 0.983 1.00 0.00 C ATOM 911 C MET A 60 6.076 3.472 2.337 1.00 0.00 C ATOM 912 O MET A 60 5.732 2.318 2.503 1.00 0.00 O ATOM 913 CB MET A 60 7.161 3.932 0.131 1.00 0.00 C ATOM 914 CG MET A 60 8.406 4.294 0.940 1.00 0.00 C ATOM 915 SD MET A 60 9.768 4.677 -0.190 1.00 0.00 S ATOM 916 CE MET A 60 9.939 3.025 -0.907 1.00 0.00 C ATOM 0 H MET A 60 6.319 6.231 0.655 1.00 0.00 H new ATOM 0 HA MET A 60 5.045 3.752 0.463 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.211 2.890 -0.185 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.114 4.538 -0.774 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.200 5.151 1.582 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.682 3.466 1.593 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.949 2.654 -0.730 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.218 2.351 -0.444 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.753 3.073 -1.980 1.00 0.00 H new ATOM 926 N ARG A 61 6.593 4.172 3.313 1.00 0.00 N ATOM 927 CA ARG A 61 6.769 3.552 4.657 1.00 0.00 C ATOM 928 C ARG A 61 5.402 3.122 5.185 1.00 0.00 C ATOM 929 O ARG A 61 5.230 2.020 5.668 1.00 0.00 O ATOM 930 CB ARG A 61 7.396 4.566 5.617 1.00 0.00 C ATOM 931 CG ARG A 61 8.293 3.832 6.617 1.00 0.00 C ATOM 932 CD ARG A 61 8.899 4.836 7.597 1.00 0.00 C ATOM 933 NE ARG A 61 9.437 4.108 8.782 1.00 0.00 N ATOM 934 CZ ARG A 61 10.112 4.751 9.695 1.00 0.00 C ATOM 935 NH1 ARG A 61 10.666 5.899 9.412 1.00 0.00 N ATOM 936 NH2 ARG A 61 10.234 4.246 10.891 1.00 0.00 N ATOM 0 H ARG A 61 6.899 5.142 3.237 1.00 0.00 H new ATOM 0 HA ARG A 61 7.425 2.685 4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.978 5.299 5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.616 5.114 6.145 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.714 3.084 7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.085 3.301 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.695 5.400 7.111 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.143 5.556 7.911 1.00 0.00 H new ATOM 0 HE ARG A 61 9.277 3.105 8.879 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.571 6.294 8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.193 6.401 10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.802 3.349 11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.762 4.748 11.605 1.00 0.00 H new ATOM 950 N MET A 62 4.428 3.979 5.082 1.00 0.00 N ATOM 951 CA MET A 62 3.065 3.618 5.562 1.00 0.00 C ATOM 952 C MET A 62 2.544 2.454 4.718 1.00 0.00 C ATOM 953 O MET A 62 1.745 1.657 5.164 1.00 0.00 O ATOM 954 CB MET A 62 2.132 4.822 5.412 1.00 0.00 C ATOM 955 CG MET A 62 2.610 5.952 6.325 1.00 0.00 C ATOM 956 SD MET A 62 1.675 7.459 5.963 1.00 0.00 S ATOM 957 CE MET A 62 3.092 8.525 5.608 1.00 0.00 C ATOM 0 H MET A 62 4.515 4.915 4.686 1.00 0.00 H new ATOM 0 HA MET A 62 3.103 3.329 6.612 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.118 5.158 4.375 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.111 4.539 5.669 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.476 5.671 7.370 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.675 6.128 6.176 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.826 9.563 5.808 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.931 8.237 6.241 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.374 8.418 4.561 1.00 0.00 H new ATOM 967 N ILE A 63 3.005 2.350 3.501 1.00 0.00 N ATOM 968 CA ILE A 63 2.557 1.236 2.620 1.00 0.00 C ATOM 969 C ILE A 63 3.231 -0.060 3.082 1.00 0.00 C ATOM 970 O ILE A 63 2.748 -1.146 2.832 1.00 0.00 O ATOM 971 CB ILE A 63 2.947 1.565 1.170 1.00 0.00 C ATOM 972 CG1 ILE A 63 1.823 2.381 0.529 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.167 0.283 0.360 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.545 3.621 1.381 1.00 0.00 C ATOM 0 H ILE A 63 3.675 2.992 3.078 1.00 0.00 H new ATOM 0 HA ILE A 63 1.476 1.110 2.675 1.00 0.00 H new ATOM 0 HB ILE A 63 3.877 2.134 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.104 2.676 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.921 1.775 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.442 0.541 -0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.967 -0.302 0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.249 -0.304 0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.744 4.203 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.246 3.314 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.447 4.230 1.442 1.00 0.00 H new ATOM 986 N GLU A 64 4.338 0.050 3.762 1.00 0.00 N ATOM 987 CA GLU A 64 5.038 -1.171 4.248 1.00 0.00 C ATOM 988 C GLU A 64 4.432 -1.602 5.586 1.00 0.00 C ATOM 989 O GLU A 64 4.314 -2.775 5.875 1.00 0.00 O ATOM 990 CB GLU A 64 6.525 -0.864 4.438 1.00 0.00 C ATOM 991 CG GLU A 64 7.356 -2.067 3.988 1.00 0.00 C ATOM 992 CD GLU A 64 8.644 -2.136 4.811 1.00 0.00 C ATOM 993 OE1 GLU A 64 8.634 -1.649 5.929 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.617 -2.672 4.309 1.00 0.00 O ATOM 0 H GLU A 64 4.788 0.933 4.002 1.00 0.00 H new ATOM 0 HA GLU A 64 4.923 -1.973 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.802 0.019 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.730 -0.638 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.783 -2.985 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.594 -1.982 2.928 1.00 0.00 H new ATOM 1001 N GLY A 65 4.046 -0.661 6.403 1.00 0.00 N ATOM 1002 CA GLY A 65 3.445 -1.014 7.721 1.00 0.00 C ATOM 1003 C GLY A 65 1.991 -1.446 7.520 1.00 0.00 C ATOM 1004 O GLY A 65 1.464 -2.252 8.261 1.00 0.00 O ATOM 0 H GLY A 65 4.121 0.339 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.013 -1.818 8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.491 -0.158 8.395 1.00 0.00 H new ATOM 1008 N THR A 66 1.341 -0.916 6.521 1.00 0.00 N ATOM 1009 CA THR A 66 -0.077 -1.296 6.267 1.00 0.00 C ATOM 1010 C THR A 66 -0.117 -2.497 5.323 1.00 0.00 C ATOM 1011 O THR A 66 -0.990 -3.338 5.407 1.00 0.00 O ATOM 1012 CB THR A 66 -0.817 -0.120 5.621 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.696 1.027 6.452 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.295 -0.475 5.450 1.00 0.00 C ATOM 0 H THR A 66 1.731 -0.235 5.869 1.00 0.00 H new ATOM 0 HA THR A 66 -0.558 -1.553 7.211 1.00 0.00 H new ATOM 0 HB THR A 66 -0.382 0.091 4.644 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.130 1.505 6.231 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.820 0.363 4.990 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.387 -1.354 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.734 -0.687 6.425 1.00 0.00 H new ATOM 1022 N ALA A 67 0.820 -2.578 4.421 1.00 0.00 N ATOM 1023 CA ALA A 67 0.838 -3.720 3.465 1.00 0.00 C ATOM 1024 C ALA A 67 1.667 -4.867 4.048 1.00 0.00 C ATOM 1025 O ALA A 67 1.952 -5.839 3.379 1.00 0.00 O ATOM 1026 CB ALA A 67 1.456 -3.261 2.145 1.00 0.00 C ATOM 0 H ALA A 67 1.575 -1.902 4.304 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.181 -4.067 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.472 -4.094 1.442 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.863 -2.446 1.730 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.475 -2.916 2.321 1.00 0.00 H new ATOM 1032 N ARG A 68 2.059 -4.762 5.290 1.00 0.00 N ATOM 1033 CA ARG A 68 2.870 -5.848 5.910 1.00 0.00 C ATOM 1034 C ARG A 68 2.070 -6.506 7.035 1.00 0.00 C ATOM 1035 O ARG A 68 2.350 -7.616 7.443 1.00 0.00 O ATOM 1036 CB ARG A 68 4.161 -5.259 6.482 1.00 0.00 C ATOM 1037 CG ARG A 68 4.956 -6.355 7.197 1.00 0.00 C ATOM 1038 CD ARG A 68 6.132 -5.726 7.947 1.00 0.00 C ATOM 1039 NE ARG A 68 6.992 -6.803 8.514 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.287 -6.801 9.785 1.00 0.00 C ATOM 1041 NH1 ARG A 68 6.479 -7.360 10.643 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.391 -6.241 10.199 1.00 0.00 N ATOM 0 H ARG A 68 1.852 -3.972 5.901 1.00 0.00 H new ATOM 0 HA ARG A 68 3.114 -6.594 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.760 -4.825 5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.927 -4.453 7.178 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.311 -6.891 7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.320 -7.085 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.714 -5.099 7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.765 -5.081 8.745 1.00 0.00 H new ATOM 0 HE ARG A 68 7.350 -7.542 7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.617 -7.799 10.320 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.710 -7.358 11.637 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.024 -5.804 9.529 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.621 -6.240 11.193 1.00 0.00 H new ATOM 1056 N SER A 69 1.076 -5.830 7.543 1.00 0.00 N ATOM 1057 CA SER A 69 0.262 -6.420 8.643 1.00 0.00 C ATOM 1058 C SER A 69 -0.910 -7.203 8.048 1.00 0.00 C ATOM 1059 O SER A 69 -1.840 -7.566 8.740 1.00 0.00 O ATOM 1060 CB SER A 69 -0.276 -5.300 9.534 1.00 0.00 C ATOM 1061 OG SER A 69 -0.671 -5.846 10.786 1.00 0.00 O ATOM 0 H SER A 69 0.793 -4.897 7.245 1.00 0.00 H new ATOM 0 HA SER A 69 0.884 -7.091 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.489 -4.538 9.682 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.124 -4.812 9.053 1.00 0.00 H new ATOM 0 HG SER A 69 -1.142 -6.693 10.640 1.00 0.00 H new ATOM 1067 N MET A 70 -0.876 -7.462 6.769 1.00 0.00 N ATOM 1068 CA MET A 70 -1.991 -8.220 6.135 1.00 0.00 C ATOM 1069 C MET A 70 -1.453 -9.514 5.522 1.00 0.00 C ATOM 1070 O MET A 70 -2.187 -10.287 4.938 1.00 0.00 O ATOM 1071 CB MET A 70 -2.630 -7.361 5.041 1.00 0.00 C ATOM 1072 CG MET A 70 -3.166 -6.068 5.661 1.00 0.00 C ATOM 1073 SD MET A 70 -4.326 -5.283 4.514 1.00 0.00 S ATOM 1074 CE MET A 70 -3.288 -3.868 4.076 1.00 0.00 C ATOM 0 H MET A 70 -0.126 -7.182 6.137 1.00 0.00 H new ATOM 0 HA MET A 70 -2.738 -8.465 6.890 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.896 -7.130 4.269 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.439 -7.909 4.558 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.663 -6.285 6.606 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.342 -5.390 5.882 1.00 0.00 H new ATOM 0 HE1 MET A 70 -3.612 -3.462 3.118 1.00 0.00 H new ATOM 0 HE2 MET A 70 -3.377 -3.100 4.844 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.249 -4.188 4.002 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.179 -9.763 5.654 1.00 0.00 N ATOM 1085 CA GLY A 71 0.398 -11.012 5.081 1.00 0.00 C ATOM 1086 C GLY A 71 1.036 -10.714 3.724 1.00 0.00 C ATOM 1087 O GLY A 71 1.509 -11.602 3.044 1.00 0.00 O ATOM 0 H GLY A 71 0.487 -9.157 6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.144 -11.424 5.761 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.382 -11.765 4.969 1.00 0.00 H new ATOM 1091 N ILE A 72 1.056 -9.472 3.322 1.00 0.00 N ATOM 1092 CA ILE A 72 1.667 -9.131 2.007 1.00 0.00 C ATOM 1093 C ILE A 72 3.114 -8.686 2.222 1.00 0.00 C ATOM 1094 O ILE A 72 3.395 -7.822 3.028 1.00 0.00 O ATOM 1095 CB ILE A 72 0.867 -8.005 1.353 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.611 -8.402 1.299 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.382 -7.771 -0.067 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.481 -7.149 1.411 1.00 0.00 C ATOM 0 H ILE A 72 0.677 -8.682 3.845 1.00 0.00 H new ATOM 0 HA ILE A 72 1.653 -10.005 1.356 1.00 0.00 H new ATOM 0 HB ILE A 72 0.981 -7.090 1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.824 -8.923 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.843 -9.092 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.811 -6.968 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.436 -7.494 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.267 -8.684 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.533 -7.432 1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.275 -6.646 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.256 -6.475 0.585 1.00 0.00 H new ATOM 1110 N VAL A 73 4.039 -9.277 1.513 1.00 0.00 N ATOM 1111 CA VAL A 73 5.470 -8.897 1.685 1.00 0.00 C ATOM 1112 C VAL A 73 5.881 -7.925 0.573 1.00 0.00 C ATOM 1113 O VAL A 73 5.848 -8.254 -0.593 1.00 0.00 O ATOM 1114 CB VAL A 73 6.333 -10.173 1.652 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.960 -10.390 0.268 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.442 -10.061 2.699 1.00 0.00 C ATOM 0 H VAL A 73 3.864 -10.007 0.822 1.00 0.00 H new ATOM 0 HA VAL A 73 5.617 -8.398 2.643 1.00 0.00 H new ATOM 0 HB VAL A 73 5.690 -11.025 1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.562 -11.298 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.171 -10.487 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.593 -9.539 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.054 -10.962 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.065 -9.194 2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.998 -9.947 3.688 1.00 0.00 H new ATOM 1126 N VAL A 74 6.269 -6.732 0.921 1.00 0.00 N ATOM 1127 CA VAL A 74 6.678 -5.759 -0.126 1.00 0.00 C ATOM 1128 C VAL A 74 8.198 -5.828 -0.319 1.00 0.00 C ATOM 1129 O VAL A 74 8.960 -5.635 0.608 1.00 0.00 O ATOM 1130 CB VAL A 74 6.233 -4.344 0.294 1.00 0.00 C ATOM 1131 CG1 VAL A 74 7.393 -3.564 0.927 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.729 -3.592 -0.939 1.00 0.00 C ATOM 0 H VAL A 74 6.321 -6.390 1.880 1.00 0.00 H new ATOM 0 HA VAL A 74 6.201 -6.003 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 74 5.438 -4.435 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.050 -2.570 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.748 -4.094 1.811 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.206 -3.474 0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.412 -2.590 -0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.530 -3.521 -1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.885 -4.128 -1.372 1.00 0.00 H new ATOM 1142 N GLU A 75 8.644 -6.101 -1.513 1.00 0.00 N ATOM 1143 CA GLU A 75 10.111 -6.181 -1.760 1.00 0.00 C ATOM 1144 C GLU A 75 10.388 -6.003 -3.254 1.00 0.00 C ATOM 1145 O GLU A 75 9.709 -6.560 -4.092 1.00 0.00 O ATOM 1146 CB GLU A 75 10.633 -7.545 -1.301 1.00 0.00 C ATOM 1147 CG GLU A 75 9.629 -8.632 -1.686 1.00 0.00 C ATOM 1148 CD GLU A 75 10.109 -9.983 -1.150 1.00 0.00 C ATOM 1149 OE1 GLU A 75 11.299 -10.118 -0.921 1.00 0.00 O ATOM 1150 OE2 GLU A 75 9.276 -10.858 -0.979 1.00 0.00 O ATOM 0 H GLU A 75 8.056 -6.272 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 75 10.617 -5.393 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.600 -7.749 -1.760 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.787 -7.543 -0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.646 -8.395 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.522 -8.676 -2.770 1.00 0.00 H new ATOM 1157 N ASP A 76 11.383 -5.230 -3.593 1.00 0.00 N ATOM 1158 CA ASP A 76 11.704 -5.014 -5.032 1.00 0.00 C ATOM 1159 C ASP A 76 12.209 -6.322 -5.643 1.00 0.00 C ATOM 1160 O ASP A 76 12.996 -6.993 -4.994 1.00 0.00 O ATOM 1161 CB ASP A 76 12.789 -3.942 -5.155 1.00 0.00 C ATOM 1162 CG ASP A 76 13.877 -4.193 -4.110 1.00 0.00 C ATOM 1163 OD1 ASP A 76 14.628 -5.140 -4.282 1.00 0.00 O ATOM 1164 OD2 ASP A 76 13.940 -3.437 -3.155 1.00 0.00 O ATOM 1165 OXT ASP A 76 11.802 -6.630 -6.751 1.00 0.00 O ATOM 0 H ASP A 76 11.988 -4.738 -2.935 1.00 0.00 H new ATOM 0 HA ASP A 76 10.808 -4.688 -5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.221 -3.960 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.355 -2.952 -5.013 1.00 0.00 H new