USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 647 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 22:sc= 0.49 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 67:sc= 0.726 USER MOD Single : A 38 LYS NZ :NH3+ -156:sc= -0.326 (180deg=-1.28) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 42 GLN : amide:sc= -0.642 K(o=-0.64,f=-6.4!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.02 K(o=-1,f=-2.2) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 0.203 (180deg=-0.139) USER MOD Single : A 69 ASN : amide:sc= -4.91! C(o=-4.9!,f=-7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -35:sc= 0.919 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0413) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 104 SER OG : rot -22:sc= 0.309! USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.506 -2.083 -3.440 1.00 23.21 N ATOM 12 CA ILE A 2 3.499 -3.146 -3.345 1.00 72.51 C ATOM 13 C ILE A 2 4.792 -2.756 -4.053 1.00 72.31 C ATOM 14 O ILE A 2 5.857 -3.307 -3.773 1.00 3.51 O ATOM 15 CB ILE A 2 2.973 -4.462 -3.948 1.00 64.53 C ATOM 16 CG1 ILE A 2 3.913 -5.619 -3.602 1.00 5.10 C ATOM 17 CG2 ILE A 2 2.821 -4.330 -5.456 1.00 72.22 C ATOM 18 CD1 ILE A 2 3.985 -5.916 -2.121 1.00 24.24 C ATOM 0 HA ILE A 2 3.700 -3.296 -2.284 1.00 72.51 H new ATOM 0 HB ILE A 2 1.993 -4.674 -3.520 1.00 64.53 H new ATOM 0 HG12 ILE A 2 3.583 -6.515 -4.128 1.00 5.10 H new ATOM 0 HG13 ILE A 2 4.913 -5.385 -3.967 1.00 5.10 H new ATOM 0 HG21 ILE A 2 2.448 -5.268 -5.868 1.00 72.22 H new ATOM 0 HG22 ILE A 2 2.117 -3.529 -5.682 1.00 72.22 H new ATOM 0 HG23 ILE A 2 3.789 -4.098 -5.900 1.00 72.22 H new ATOM 0 HD11 ILE A 2 4.669 -6.747 -1.949 1.00 24.24 H new ATOM 0 HD12 ILE A 2 4.344 -5.034 -1.590 1.00 24.24 H new ATOM 0 HD13 ILE A 2 2.993 -6.181 -1.754 1.00 24.24 H new ATOM 30 N THR A 3 4.692 -1.801 -4.972 1.00 52.13 N ATOM 31 CA THR A 3 5.853 -1.336 -5.721 1.00 14.35 C ATOM 32 C THR A 3 6.977 -0.911 -4.783 1.00 21.21 C ATOM 33 O THR A 3 8.153 -0.967 -5.143 1.00 40.13 O ATOM 34 CB THR A 3 5.492 -0.153 -6.639 1.00 72.23 C ATOM 35 OG1 THR A 3 5.169 0.998 -5.852 1.00 14.22 O ATOM 36 CG2 THR A 3 4.316 -0.505 -7.538 1.00 62.42 C ATOM 0 H THR A 3 3.818 -1.334 -5.216 1.00 52.13 H new ATOM 0 HA THR A 3 6.190 -2.172 -6.334 1.00 14.35 H new ATOM 0 HB THR A 3 6.356 0.068 -7.266 1.00 72.23 H new ATOM 0 HG1 THR A 3 4.942 1.746 -6.444 1.00 14.22 H new ATOM 0 HG21 THR A 3 4.079 0.346 -8.177 1.00 62.42 H new ATOM 0 HG22 THR A 3 4.576 -1.363 -8.158 1.00 62.42 H new ATOM 0 HG23 THR A 3 3.449 -0.750 -6.924 1.00 62.42 H new ATOM 44 N ASP A 4 6.609 -0.488 -3.579 1.00 11.12 N ATOM 45 CA ASP A 4 7.588 -0.055 -2.588 1.00 74.40 C ATOM 46 C ASP A 4 8.552 -1.187 -2.247 1.00 32.23 C ATOM 47 O ASP A 4 9.648 -0.950 -1.738 1.00 52.31 O ATOM 48 CB ASP A 4 6.882 0.430 -1.321 1.00 30.32 C ATOM 49 CG ASP A 4 6.378 1.854 -1.448 1.00 3.03 C ATOM 50 OD1 ASP A 4 6.924 2.604 -2.284 1.00 3.52 O ATOM 51 OD2 ASP A 4 5.438 2.218 -0.712 1.00 13.02 O ATOM 0 H ASP A 4 5.640 -0.436 -3.265 1.00 11.12 H new ATOM 0 HA ASP A 4 8.160 0.769 -3.014 1.00 74.40 H new ATOM 0 HB2 ASP A 4 6.044 -0.231 -1.100 1.00 30.32 H new ATOM 0 HB3 ASP A 4 7.570 0.365 -0.478 1.00 30.32 H new ATOM 56 N ILE A 5 8.136 -2.417 -2.529 1.00 32.23 N ATOM 57 CA ILE A 5 8.963 -3.585 -2.251 1.00 73.14 C ATOM 58 C ILE A 5 9.319 -4.324 -3.537 1.00 34.43 C ATOM 59 O ILE A 5 10.477 -4.675 -3.764 1.00 23.54 O ATOM 60 CB ILE A 5 8.256 -4.560 -1.291 1.00 3.23 C ATOM 61 CG1 ILE A 5 7.300 -3.799 -0.370 1.00 74.21 C ATOM 62 CG2 ILE A 5 9.280 -5.335 -0.475 1.00 63.23 C ATOM 63 CD1 ILE A 5 6.631 -4.677 0.665 1.00 61.04 C ATOM 0 H ILE A 5 7.232 -2.631 -2.950 1.00 32.23 H new ATOM 0 HA ILE A 5 9.875 -3.221 -1.779 1.00 73.14 H new ATOM 0 HB ILE A 5 7.676 -5.270 -1.880 1.00 3.23 H new ATOM 0 HG12 ILE A 5 7.851 -3.008 0.138 1.00 74.21 H new ATOM 0 HG13 ILE A 5 6.533 -3.316 -0.975 1.00 74.21 H new ATOM 0 HG21 ILE A 5 8.765 -6.020 0.199 1.00 63.23 H new ATOM 0 HG22 ILE A 5 9.926 -5.902 -1.145 1.00 63.23 H new ATOM 0 HG23 ILE A 5 9.884 -4.639 0.107 1.00 63.23 H new ATOM 0 HD11 ILE A 5 5.968 -4.071 1.282 1.00 61.04 H new ATOM 0 HD12 ILE A 5 6.052 -5.453 0.164 1.00 61.04 H new ATOM 0 HD13 ILE A 5 7.390 -5.140 1.295 1.00 61.04 H new ATOM 75 N LEU A 6 8.316 -4.556 -4.376 1.00 74.52 N ATOM 76 CA LEU A 6 8.522 -5.253 -5.641 1.00 42.34 C ATOM 77 C LEU A 6 8.796 -4.263 -6.769 1.00 54.13 C ATOM 78 O LEU A 6 8.812 -3.051 -6.555 1.00 3.15 O ATOM 79 CB LEU A 6 7.300 -6.106 -5.982 1.00 35.51 C ATOM 80 CG LEU A 6 7.420 -7.601 -5.683 1.00 22.14 C ATOM 81 CD1 LEU A 6 7.949 -7.822 -4.274 1.00 71.50 C ATOM 82 CD2 LEU A 6 6.076 -8.292 -5.865 1.00 3.45 C ATOM 0 H LEU A 6 7.352 -4.272 -4.203 1.00 74.52 H new ATOM 0 HA LEU A 6 9.391 -5.902 -5.532 1.00 42.34 H new ATOM 0 HB2 LEU A 6 6.444 -5.714 -5.433 1.00 35.51 H new ATOM 0 HB3 LEU A 6 7.082 -5.984 -7.043 1.00 35.51 H new ATOM 0 HG LEU A 6 8.128 -8.037 -6.388 1.00 22.14 H new ATOM 0 HD11 LEU A 6 8.028 -8.891 -4.079 1.00 71.50 H new ATOM 0 HD12 LEU A 6 8.933 -7.362 -4.178 1.00 71.50 H new ATOM 0 HD13 LEU A 6 7.266 -7.371 -3.554 1.00 71.50 H new ATOM 0 HD21 LEU A 6 6.181 -9.355 -5.648 1.00 3.45 H new ATOM 0 HD22 LEU A 6 5.346 -7.853 -5.185 1.00 3.45 H new ATOM 0 HD23 LEU A 6 5.737 -8.163 -6.893 1.00 3.45 H new ATOM 94 N SER A 7 9.007 -4.788 -7.972 1.00 4.31 N ATOM 95 CA SER A 7 9.281 -3.950 -9.134 1.00 25.41 C ATOM 96 C SER A 7 8.204 -4.130 -10.199 1.00 40.11 C ATOM 97 O SER A 7 7.881 -5.252 -10.588 1.00 10.11 O ATOM 98 CB SER A 7 10.654 -4.287 -9.719 1.00 63.12 C ATOM 99 OG SER A 7 11.557 -3.207 -9.555 1.00 63.40 O ATOM 0 H SER A 7 8.993 -5.789 -8.167 1.00 4.31 H new ATOM 0 HA SER A 7 9.277 -2.909 -8.810 1.00 25.41 H new ATOM 0 HB2 SER A 7 11.053 -5.176 -9.230 1.00 63.12 H new ATOM 0 HB3 SER A 7 10.553 -4.523 -10.778 1.00 63.12 H new ATOM 0 HG SER A 7 12.427 -3.448 -9.935 1.00 63.40 H new ATOM 105 N ALA A 8 7.652 -3.015 -10.667 1.00 33.23 N ATOM 106 CA ALA A 8 6.612 -3.048 -11.688 1.00 42.10 C ATOM 107 C ALA A 8 7.149 -3.609 -13.000 1.00 64.12 C ATOM 108 O ALA A 8 6.383 -3.981 -13.889 1.00 13.11 O ATOM 109 CB ALA A 8 6.039 -1.655 -11.903 1.00 3.13 C ATOM 0 H ALA A 8 7.908 -2.078 -10.355 1.00 33.23 H new ATOM 0 HA ALA A 8 5.816 -3.707 -11.340 1.00 42.10 H new ATOM 0 HB1 ALA A 8 5.264 -1.695 -12.668 1.00 3.13 H new ATOM 0 HB2 ALA A 8 5.610 -1.290 -10.970 1.00 3.13 H new ATOM 0 HB3 ALA A 8 6.833 -0.981 -12.225 1.00 3.13 H new ATOM 115 N LYS A 9 8.472 -3.667 -13.116 1.00 72.12 N ATOM 116 CA LYS A 9 9.113 -4.183 -14.320 1.00 32.33 C ATOM 117 C LYS A 9 9.596 -5.614 -14.108 1.00 24.35 C ATOM 118 O LYS A 9 10.149 -6.234 -15.017 1.00 30.15 O ATOM 119 CB LYS A 9 10.290 -3.290 -14.719 1.00 14.02 C ATOM 120 CG LYS A 9 10.491 -3.185 -16.221 1.00 2.54 C ATOM 121 CD LYS A 9 11.473 -4.228 -16.726 1.00 23.10 C ATOM 122 CE LYS A 9 12.266 -3.716 -17.919 1.00 31.01 C ATOM 123 NZ LYS A 9 12.724 -4.827 -18.798 1.00 44.13 N ATOM 0 H LYS A 9 9.121 -3.363 -12.390 1.00 72.12 H new ATOM 0 HA LYS A 9 8.376 -4.182 -15.123 1.00 32.33 H new ATOM 0 HB2 LYS A 9 10.132 -2.292 -14.311 1.00 14.02 H new ATOM 0 HB3 LYS A 9 11.201 -3.680 -14.265 1.00 14.02 H new ATOM 0 HG2 LYS A 9 9.534 -3.310 -16.727 1.00 2.54 H new ATOM 0 HG3 LYS A 9 10.856 -2.189 -16.471 1.00 2.54 H new ATOM 0 HD2 LYS A 9 12.158 -4.503 -15.924 1.00 23.10 H new ATOM 0 HD3 LYS A 9 10.933 -5.132 -17.008 1.00 23.10 H new ATOM 0 HE2 LYS A 9 11.650 -3.027 -18.496 1.00 31.01 H new ATOM 0 HE3 LYS A 9 13.130 -3.152 -17.566 1.00 31.01 H new ATOM 0 HZ1 LYS A 9 13.260 -4.437 -19.599 1.00 44.13 H new ATOM 0 HZ2 LYS A 9 13.333 -5.471 -18.254 1.00 44.13 H new ATOM 0 HZ3 LYS A 9 11.899 -5.350 -19.155 1.00 44.13 H new ATOM 137 N ASP A 10 9.384 -6.133 -12.903 1.00 74.33 N ATOM 138 CA ASP A 10 9.796 -7.493 -12.573 1.00 14.41 C ATOM 139 C ASP A 10 8.583 -8.375 -12.293 1.00 1.01 C ATOM 140 O ASP A 10 8.636 -9.593 -12.468 1.00 11.32 O ATOM 141 CB ASP A 10 10.728 -7.485 -11.360 1.00 75.31 C ATOM 142 CG ASP A 10 12.032 -6.764 -11.637 1.00 21.32 C ATOM 143 OD1 ASP A 10 11.985 -5.632 -12.162 1.00 11.11 O ATOM 144 OD2 ASP A 10 13.100 -7.332 -11.328 1.00 4.15 O ATOM 0 H ASP A 10 8.930 -5.633 -12.139 1.00 74.33 H new ATOM 0 HA ASP A 10 10.331 -7.903 -13.430 1.00 14.41 H new ATOM 0 HB2 ASP A 10 10.223 -7.007 -10.521 1.00 75.31 H new ATOM 0 HB3 ASP A 10 10.940 -8.512 -11.062 1.00 75.31 H new ATOM 149 N ILE A 11 7.493 -7.753 -11.857 1.00 1.23 N ATOM 150 CA ILE A 11 6.268 -8.482 -11.553 1.00 1.34 C ATOM 151 C ILE A 11 5.631 -9.039 -12.821 1.00 15.40 C ATOM 152 O ILE A 11 5.281 -10.217 -12.886 1.00 1.35 O ATOM 153 CB ILE A 11 5.246 -7.587 -10.828 1.00 15.31 C ATOM 154 CG1 ILE A 11 5.795 -7.143 -9.470 1.00 72.44 C ATOM 155 CG2 ILE A 11 3.925 -8.323 -10.656 1.00 41.24 C ATOM 156 CD1 ILE A 11 5.217 -5.833 -8.984 1.00 5.33 C ATOM 0 H ILE A 11 7.433 -6.746 -11.706 1.00 1.23 H new ATOM 0 HA ILE A 11 6.546 -9.307 -10.897 1.00 1.34 H new ATOM 0 HB ILE A 11 5.069 -6.699 -11.435 1.00 15.31 H new ATOM 0 HG12 ILE A 11 5.588 -7.918 -8.732 1.00 72.44 H new ATOM 0 HG13 ILE A 11 6.879 -7.050 -9.538 1.00 72.44 H new ATOM 0 HG21 ILE A 11 3.213 -7.677 -10.142 1.00 41.24 H new ATOM 0 HG22 ILE A 11 3.529 -8.593 -11.635 1.00 41.24 H new ATOM 0 HG23 ILE A 11 4.086 -9.226 -10.068 1.00 41.24 H new ATOM 0 HD11 ILE A 11 5.651 -5.580 -8.017 1.00 5.33 H new ATOM 0 HD12 ILE A 11 5.447 -5.045 -9.702 1.00 5.33 H new ATOM 0 HD13 ILE A 11 4.136 -5.928 -8.883 1.00 5.33 H new ATOM 168 N GLU A 12 5.484 -8.183 -13.828 1.00 21.10 N ATOM 169 CA GLU A 12 4.889 -8.591 -15.095 1.00 44.14 C ATOM 170 C GLU A 12 5.886 -9.387 -15.933 1.00 42.41 C ATOM 171 O GLU A 12 5.509 -10.060 -16.892 1.00 44.23 O ATOM 172 CB GLU A 12 4.412 -7.366 -15.878 1.00 45.40 C ATOM 173 CG GLU A 12 3.079 -6.817 -15.397 1.00 63.55 C ATOM 174 CD GLU A 12 2.633 -5.598 -16.181 1.00 62.30 C ATOM 175 OE1 GLU A 12 2.177 -5.766 -17.331 1.00 52.22 O ATOM 176 OE2 GLU A 12 2.741 -4.476 -15.643 1.00 75.31 O ATOM 0 H GLU A 12 5.768 -7.204 -13.791 1.00 21.10 H new ATOM 0 HA GLU A 12 4.033 -9.229 -14.876 1.00 44.14 H new ATOM 0 HB2 GLU A 12 5.166 -6.582 -15.805 1.00 45.40 H new ATOM 0 HB3 GLU A 12 4.328 -7.629 -16.932 1.00 45.40 H new ATOM 0 HG2 GLU A 12 2.319 -7.595 -15.478 1.00 63.55 H new ATOM 0 HG3 GLU A 12 3.157 -6.557 -14.341 1.00 63.55 H new ATOM 183 N SER A 13 7.160 -9.303 -15.563 1.00 63.44 N ATOM 184 CA SER A 13 8.213 -10.012 -16.283 1.00 13.45 C ATOM 185 C SER A 13 8.530 -11.343 -15.608 1.00 42.13 C ATOM 186 O SER A 13 9.404 -12.085 -16.055 1.00 44.35 O ATOM 187 CB SER A 13 9.476 -9.151 -16.358 1.00 74.43 C ATOM 188 OG SER A 13 10.237 -9.464 -17.512 1.00 51.40 O ATOM 0 H SER A 13 7.488 -8.752 -14.770 1.00 63.44 H new ATOM 0 HA SER A 13 7.858 -10.213 -17.294 1.00 13.45 H new ATOM 0 HB2 SER A 13 9.201 -8.096 -16.375 1.00 74.43 H new ATOM 0 HB3 SER A 13 10.081 -9.309 -15.465 1.00 74.43 H new ATOM 0 HG SER A 13 11.038 -8.900 -17.539 1.00 51.40 H new ATOM 194 N ALA A 14 7.813 -11.638 -14.529 1.00 70.32 N ATOM 195 CA ALA A 14 8.016 -12.880 -13.794 1.00 32.24 C ATOM 196 C ALA A 14 6.701 -13.629 -13.608 1.00 74.40 C ATOM 197 O ALA A 14 6.665 -14.703 -13.005 1.00 4.33 O ATOM 198 CB ALA A 14 8.658 -12.595 -12.444 1.00 61.40 C ATOM 0 H ALA A 14 7.087 -11.034 -14.145 1.00 70.32 H new ATOM 0 HA ALA A 14 8.685 -13.513 -14.377 1.00 32.24 H new ATOM 0 HB1 ALA A 14 8.804 -13.531 -11.906 1.00 61.40 H new ATOM 0 HB2 ALA A 14 9.622 -12.109 -12.595 1.00 61.40 H new ATOM 0 HB3 ALA A 14 8.009 -11.940 -11.863 1.00 61.40 H new ATOM 455 N THR A 32 13.866 -12.126 -11.206 1.00 51.14 N ATOM 456 CA THR A 32 12.554 -12.510 -10.700 1.00 43.14 C ATOM 457 C THR A 32 11.775 -11.293 -10.214 1.00 72.52 C ATOM 458 O THR A 32 12.340 -10.217 -10.024 1.00 3.34 O ATOM 459 CB THR A 32 12.672 -13.525 -9.547 1.00 51.54 C ATOM 460 OG1 THR A 32 13.801 -14.380 -9.760 1.00 54.55 O ATOM 461 CG2 THR A 32 11.408 -14.364 -9.434 1.00 0.51 C ATOM 0 HA THR A 32 12.018 -12.974 -11.528 1.00 43.14 H new ATOM 0 HB THR A 32 12.807 -12.972 -8.617 1.00 51.54 H new ATOM 0 HG1 THR A 32 14.434 -13.941 -10.366 1.00 54.55 H new ATOM 0 HG21 THR A 32 11.514 -15.073 -8.613 1.00 0.51 H new ATOM 0 HG22 THR A 32 10.555 -13.713 -9.243 1.00 0.51 H new ATOM 0 HG23 THR A 32 11.248 -14.908 -10.365 1.00 0.51 H new ATOM 469 N VAL A 33 10.473 -11.472 -10.014 1.00 53.24 N ATOM 470 CA VAL A 33 9.615 -10.388 -9.548 1.00 65.52 C ATOM 471 C VAL A 33 10.217 -9.698 -8.329 1.00 55.33 C ATOM 472 O VAL A 33 10.042 -8.496 -8.135 1.00 11.41 O ATOM 473 CB VAL A 33 8.207 -10.901 -9.192 1.00 3.21 C ATOM 474 CG1 VAL A 33 8.296 -12.124 -8.292 1.00 72.34 C ATOM 475 CG2 VAL A 33 7.392 -9.800 -8.530 1.00 20.20 C ATOM 0 H VAL A 33 9.989 -12.357 -10.167 1.00 53.24 H new ATOM 0 HA VAL A 33 9.536 -9.671 -10.365 1.00 65.52 H new ATOM 0 HB VAL A 33 7.702 -11.193 -10.112 1.00 3.21 H new ATOM 0 HG11 VAL A 33 7.292 -12.472 -8.051 1.00 72.34 H new ATOM 0 HG12 VAL A 33 8.841 -12.916 -8.807 1.00 72.34 H new ATOM 0 HG13 VAL A 33 8.819 -11.862 -7.373 1.00 72.34 H new ATOM 0 HG21 VAL A 33 6.400 -10.179 -8.285 1.00 20.20 H new ATOM 0 HG22 VAL A 33 7.892 -9.476 -7.617 1.00 20.20 H new ATOM 0 HG23 VAL A 33 7.299 -8.955 -9.213 1.00 20.20 H new ATOM 485 N GLY A 34 10.927 -10.467 -7.510 1.00 32.32 N ATOM 486 CA GLY A 34 11.544 -9.912 -6.319 1.00 51.05 C ATOM 487 C GLY A 34 11.165 -10.670 -5.063 1.00 23.23 C ATOM 488 O GLY A 34 12.026 -11.008 -4.249 1.00 64.45 O ATOM 0 H GLY A 34 11.086 -11.465 -7.650 1.00 32.32 H new ATOM 0 HA2 GLY A 34 12.628 -9.926 -6.435 1.00 51.05 H new ATOM 0 HA3 GLY A 34 11.248 -8.868 -6.213 1.00 51.05 H new ATOM 492 N LEU A 35 9.874 -10.937 -4.901 1.00 40.11 N ATOM 493 CA LEU A 35 9.382 -11.659 -3.733 1.00 3.02 C ATOM 494 C LEU A 35 10.182 -12.938 -3.507 1.00 33.21 C ATOM 495 O LEU A 35 10.760 -13.140 -2.439 1.00 71.42 O ATOM 496 CB LEU A 35 7.899 -11.994 -3.903 1.00 4.04 C ATOM 497 CG LEU A 35 6.948 -11.363 -2.886 1.00 11.42 C ATOM 498 CD1 LEU A 35 5.539 -11.907 -3.063 1.00 40.04 C ATOM 499 CD2 LEU A 35 7.442 -11.609 -1.468 1.00 22.41 C ATOM 0 H LEU A 35 9.149 -10.664 -5.564 1.00 40.11 H new ATOM 0 HA LEU A 35 9.505 -11.017 -2.861 1.00 3.02 H new ATOM 0 HB2 LEU A 35 7.589 -11.684 -4.901 1.00 4.04 H new ATOM 0 HB3 LEU A 35 7.784 -13.077 -3.855 1.00 4.04 H new ATOM 0 HG LEU A 35 6.925 -10.287 -3.059 1.00 11.42 H new ATOM 0 HD11 LEU A 35 4.876 -11.446 -2.330 1.00 40.04 H new ATOM 0 HD12 LEU A 35 5.184 -11.678 -4.068 1.00 40.04 H new ATOM 0 HD13 LEU A 35 5.545 -12.987 -2.918 1.00 40.04 H new ATOM 0 HD21 LEU A 35 6.752 -11.152 -0.758 1.00 22.41 H new ATOM 0 HD22 LEU A 35 7.496 -12.682 -1.283 1.00 22.41 H new ATOM 0 HD23 LEU A 35 8.432 -11.169 -1.346 1.00 22.41 H new ATOM 511 N SER A 36 10.212 -13.798 -4.520 1.00 54.12 N ATOM 512 CA SER A 36 10.939 -15.059 -4.432 1.00 1.42 C ATOM 513 C SER A 36 12.427 -14.812 -4.203 1.00 22.24 C ATOM 514 O SER A 36 13.157 -15.706 -3.774 1.00 71.20 O ATOM 515 CB SER A 36 10.737 -15.879 -5.707 1.00 50.03 C ATOM 516 OG SER A 36 9.360 -16.014 -6.014 1.00 20.54 O ATOM 0 H SER A 36 9.741 -13.644 -5.412 1.00 54.12 H new ATOM 0 HA SER A 36 10.546 -15.619 -3.583 1.00 1.42 H new ATOM 0 HB2 SER A 36 11.253 -15.398 -6.538 1.00 50.03 H new ATOM 0 HB3 SER A 36 11.184 -16.866 -5.583 1.00 50.03 H new ATOM 0 HG SER A 36 9.258 -16.541 -6.834 1.00 20.54 H new ATOM 522 N SER A 37 12.870 -13.593 -4.491 1.00 50.35 N ATOM 523 CA SER A 37 14.272 -13.228 -4.321 1.00 74.10 C ATOM 524 C SER A 37 14.427 -12.155 -3.247 1.00 61.35 C ATOM 525 O SER A 37 15.352 -11.344 -3.293 1.00 22.13 O ATOM 526 CB SER A 37 14.855 -12.730 -5.644 1.00 44.24 C ATOM 527 OG SER A 37 14.656 -11.335 -5.797 1.00 22.12 O ATOM 0 H SER A 37 12.278 -12.841 -4.843 1.00 50.35 H new ATOM 0 HA SER A 37 14.818 -14.117 -4.004 1.00 74.10 H new ATOM 0 HB2 SER A 37 15.921 -12.955 -5.683 1.00 44.24 H new ATOM 0 HB3 SER A 37 14.387 -13.260 -6.474 1.00 44.24 H new ATOM 0 HG SER A 37 15.180 -10.854 -5.123 1.00 22.12 H new ATOM 533 N LYS A 38 13.515 -12.157 -2.282 1.00 33.24 N ATOM 534 CA LYS A 38 13.549 -11.186 -1.194 1.00 73.33 C ATOM 535 C LYS A 38 14.017 -11.838 0.103 1.00 72.12 C ATOM 536 O LYS A 38 14.210 -13.053 0.165 1.00 3.24 O ATOM 537 CB LYS A 38 12.165 -10.565 -0.995 1.00 14.23 C ATOM 538 CG LYS A 38 11.910 -9.352 -1.873 1.00 73.44 C ATOM 539 CD LYS A 38 12.186 -8.057 -1.130 1.00 12.45 C ATOM 540 CE LYS A 38 12.161 -6.859 -2.067 1.00 64.44 C ATOM 541 NZ LYS A 38 12.414 -5.583 -1.344 1.00 14.43 N ATOM 0 H LYS A 38 12.742 -12.821 -2.230 1.00 33.24 H new ATOM 0 HA LYS A 38 14.257 -10.402 -1.462 1.00 73.33 H new ATOM 0 HB2 LYS A 38 11.405 -11.319 -1.201 1.00 14.23 H new ATOM 0 HB3 LYS A 38 12.052 -10.277 0.050 1.00 14.23 H new ATOM 0 HG2 LYS A 38 12.541 -9.405 -2.760 1.00 73.44 H new ATOM 0 HG3 LYS A 38 10.876 -9.362 -2.217 1.00 73.44 H new ATOM 0 HD2 LYS A 38 11.442 -7.921 -0.345 1.00 12.45 H new ATOM 0 HD3 LYS A 38 13.158 -8.117 -0.641 1.00 12.45 H new ATOM 0 HE2 LYS A 38 12.913 -6.991 -2.845 1.00 64.44 H new ATOM 0 HE3 LYS A 38 11.193 -6.808 -2.565 1.00 64.44 H new ATOM 0 HZ1 LYS A 38 12.004 -4.792 -1.881 1.00 14.43 H new ATOM 0 HZ2 LYS A 38 11.976 -5.625 -0.402 1.00 14.43 H new ATOM 0 HZ3 LYS A 38 13.439 -5.439 -1.243 1.00 14.43 H new ATOM 555 N THR A 39 14.196 -11.024 1.138 1.00 2.42 N ATOM 556 CA THR A 39 14.641 -11.521 2.434 1.00 41.02 C ATOM 557 C THR A 39 13.459 -11.960 3.290 1.00 74.34 C ATOM 558 O THR A 39 12.332 -11.494 3.121 1.00 52.33 O ATOM 559 CB THR A 39 15.446 -10.454 3.199 1.00 13.42 C ATOM 560 OG1 THR A 39 16.728 -10.975 3.565 1.00 62.35 O ATOM 561 CG2 THR A 39 14.700 -10.006 4.448 1.00 44.15 C ATOM 0 H THR A 39 14.040 -10.017 1.104 1.00 2.42 H new ATOM 0 HA THR A 39 15.284 -12.380 2.239 1.00 41.02 H new ATOM 0 HB THR A 39 15.578 -9.593 2.544 1.00 13.42 H new ATOM 0 HG1 THR A 39 17.234 -10.289 4.049 1.00 62.35 H new ATOM 0 HG21 THR A 39 15.288 -9.252 4.972 1.00 44.15 H new ATOM 0 HG22 THR A 39 13.737 -9.582 4.164 1.00 44.15 H new ATOM 0 HG23 THR A 39 14.541 -10.862 5.103 1.00 44.15 H new ATOM 569 N PRO A 40 13.718 -12.879 4.232 1.00 51.11 N ATOM 570 CA PRO A 40 12.687 -13.400 5.134 1.00 30.32 C ATOM 571 C PRO A 40 12.217 -12.357 6.142 1.00 51.11 C ATOM 572 O PRO A 40 12.556 -12.425 7.324 1.00 53.34 O ATOM 573 CB PRO A 40 13.393 -14.555 5.850 1.00 53.13 C ATOM 574 CG PRO A 40 14.841 -14.210 5.789 1.00 53.23 C ATOM 575 CD PRO A 40 15.038 -13.479 4.489 1.00 12.04 C ATOM 0 HA PRO A 40 11.788 -13.700 4.595 1.00 30.32 H new ATOM 0 HB2 PRO A 40 13.052 -14.649 6.881 1.00 53.13 H new ATOM 0 HB3 PRO A 40 13.192 -15.507 5.359 1.00 53.13 H new ATOM 0 HG2 PRO A 40 15.130 -13.586 6.635 1.00 53.23 H new ATOM 0 HG3 PRO A 40 15.458 -15.108 5.829 1.00 53.23 H new ATOM 0 HD2 PRO A 40 15.816 -12.720 4.569 1.00 12.04 H new ATOM 0 HD3 PRO A 40 15.334 -14.156 3.688 1.00 12.04 H new ATOM 583 N ASP A 41 11.435 -11.393 5.668 1.00 61.44 N ATOM 584 CA ASP A 41 10.917 -10.336 6.528 1.00 21.01 C ATOM 585 C ASP A 41 9.995 -9.404 5.748 1.00 2.33 C ATOM 586 O ASP A 41 9.028 -8.874 6.294 1.00 10.41 O ATOM 587 CB ASP A 41 12.069 -9.539 7.142 1.00 52.40 C ATOM 588 CG ASP A 41 11.799 -9.147 8.581 1.00 11.44 C ATOM 589 OD1 ASP A 41 10.867 -8.348 8.815 1.00 44.25 O ATOM 590 OD2 ASP A 41 12.519 -9.639 9.475 1.00 74.21 O ATOM 0 H ASP A 41 11.146 -11.322 4.692 1.00 61.44 H new ATOM 0 HA ASP A 41 10.341 -10.801 7.328 1.00 21.01 H new ATOM 0 HB2 ASP A 41 12.983 -10.132 7.095 1.00 52.40 H new ATOM 0 HB3 ASP A 41 12.241 -8.640 6.550 1.00 52.40 H new ATOM 595 N GLN A 42 10.303 -9.208 4.470 1.00 22.13 N ATOM 596 CA GLN A 42 9.503 -8.338 3.617 1.00 71.03 C ATOM 597 C GLN A 42 8.366 -9.115 2.961 1.00 12.32 C ATOM 598 O GLN A 42 7.299 -8.562 2.691 1.00 62.15 O ATOM 599 CB GLN A 42 10.381 -7.693 2.543 1.00 64.50 C ATOM 600 CG GLN A 42 11.585 -6.954 3.105 1.00 70.12 C ATOM 601 CD GLN A 42 11.251 -6.155 4.349 1.00 34.31 C ATOM 602 OE1 GLN A 42 11.162 -6.704 5.448 1.00 41.11 O ATOM 603 NE2 GLN A 42 11.063 -4.851 4.183 1.00 73.30 N ATOM 0 H GLN A 42 11.100 -9.640 4.003 1.00 22.13 H new ATOM 0 HA GLN A 42 9.072 -7.556 4.242 1.00 71.03 H new ATOM 0 HB2 GLN A 42 10.727 -8.465 1.856 1.00 64.50 H new ATOM 0 HB3 GLN A 42 9.777 -6.997 1.961 1.00 64.50 H new ATOM 0 HG2 GLN A 42 12.371 -7.672 3.339 1.00 70.12 H new ATOM 0 HG3 GLN A 42 11.983 -6.284 2.343 1.00 70.12 H new ATOM 0 HE21 GLN A 42 11.147 -4.438 3.254 1.00 73.30 H new ATOM 0 HE22 GLN A 42 10.835 -4.263 4.984 1.00 73.30 H new ATOM 612 N ILE A 43 8.601 -10.398 2.709 1.00 51.24 N ATOM 613 CA ILE A 43 7.596 -11.250 2.086 1.00 52.14 C ATOM 614 C ILE A 43 6.281 -11.204 2.857 1.00 42.30 C ATOM 615 O ILE A 43 5.214 -11.002 2.277 1.00 44.35 O ATOM 616 CB ILE A 43 8.074 -12.711 1.995 1.00 30.15 C ATOM 617 CG1 ILE A 43 9.386 -12.794 1.212 1.00 11.04 C ATOM 618 CG2 ILE A 43 7.007 -13.579 1.345 1.00 52.51 C ATOM 619 CD1 ILE A 43 9.996 -14.178 1.200 1.00 31.10 C ATOM 0 H ILE A 43 9.478 -10.870 2.927 1.00 51.24 H new ATOM 0 HA ILE A 43 7.437 -10.865 1.079 1.00 52.14 H new ATOM 0 HB ILE A 43 8.251 -13.083 3.004 1.00 30.15 H new ATOM 0 HG12 ILE A 43 9.208 -12.476 0.185 1.00 11.04 H new ATOM 0 HG13 ILE A 43 10.102 -12.094 1.643 1.00 11.04 H new ATOM 0 HG21 ILE A 43 7.360 -14.609 1.288 1.00 52.51 H new ATOM 0 HG22 ILE A 43 6.095 -13.541 1.940 1.00 52.51 H new ATOM 0 HG23 ILE A 43 6.800 -13.210 0.340 1.00 52.51 H new ATOM 0 HD11 ILE A 43 10.923 -14.162 0.627 1.00 31.10 H new ATOM 0 HD12 ILE A 43 10.207 -14.492 2.222 1.00 31.10 H new ATOM 0 HD13 ILE A 43 9.298 -14.879 0.742 1.00 31.10 H new ATOM 631 N LYS A 44 6.365 -11.390 4.170 1.00 62.42 N ATOM 632 CA LYS A 44 5.183 -11.367 5.024 1.00 64.25 C ATOM 633 C LYS A 44 4.381 -10.088 4.808 1.00 42.15 C ATOM 634 O LYS A 44 3.154 -10.121 4.709 1.00 64.10 O ATOM 635 CB LYS A 44 5.589 -11.485 6.494 1.00 21.14 C ATOM 636 CG LYS A 44 6.767 -10.605 6.873 1.00 45.42 C ATOM 637 CD LYS A 44 7.032 -10.640 8.369 1.00 64.14 C ATOM 638 CE LYS A 44 7.875 -11.845 8.757 1.00 65.11 C ATOM 639 NZ LYS A 44 8.219 -11.838 10.206 1.00 72.21 N ATOM 0 H LYS A 44 7.240 -11.558 4.666 1.00 62.42 H new ATOM 0 HA LYS A 44 4.556 -12.218 4.757 1.00 64.25 H new ATOM 0 HB2 LYS A 44 4.736 -11.224 7.120 1.00 21.14 H new ATOM 0 HB3 LYS A 44 5.838 -12.524 6.711 1.00 21.14 H new ATOM 0 HG2 LYS A 44 7.657 -10.936 6.337 1.00 45.42 H new ATOM 0 HG3 LYS A 44 6.571 -9.579 6.561 1.00 45.42 H new ATOM 0 HD2 LYS A 44 7.542 -9.725 8.671 1.00 64.14 H new ATOM 0 HD3 LYS A 44 6.084 -10.669 8.907 1.00 64.14 H new ATOM 0 HE2 LYS A 44 7.333 -12.760 8.517 1.00 65.11 H new ATOM 0 HE3 LYS A 44 8.791 -11.853 8.166 1.00 65.11 H new ATOM 0 HZ1 LYS A 44 8.794 -12.675 10.430 1.00 72.21 H new ATOM 0 HZ2 LYS A 44 8.758 -10.977 10.431 1.00 72.21 H new ATOM 0 HZ3 LYS A 44 7.346 -11.856 10.770 1.00 72.21 H new ATOM 653 N LYS A 45 5.082 -8.961 4.733 1.00 34.23 N ATOM 654 CA LYS A 45 4.436 -7.671 4.526 1.00 52.50 C ATOM 655 C LYS A 45 3.628 -7.668 3.232 1.00 11.12 C ATOM 656 O LYS A 45 2.703 -6.873 3.068 1.00 52.53 O ATOM 657 CB LYS A 45 5.482 -6.554 4.489 1.00 54.11 C ATOM 658 CG LYS A 45 5.865 -6.034 5.864 1.00 64.15 C ATOM 659 CD LYS A 45 4.870 -5.003 6.368 1.00 51.34 C ATOM 660 CE LYS A 45 3.776 -5.647 7.206 1.00 5.21 C ATOM 661 NZ LYS A 45 3.156 -4.676 8.149 1.00 3.44 N ATOM 0 H LYS A 45 6.098 -8.916 4.813 1.00 34.23 H new ATOM 0 HA LYS A 45 3.755 -7.496 5.359 1.00 52.50 H new ATOM 0 HB2 LYS A 45 6.377 -6.922 3.987 1.00 54.11 H new ATOM 0 HB3 LYS A 45 5.098 -5.727 3.891 1.00 54.11 H new ATOM 0 HG2 LYS A 45 5.916 -6.865 6.567 1.00 64.15 H new ATOM 0 HG3 LYS A 45 6.860 -5.591 5.822 1.00 64.15 H new ATOM 0 HD2 LYS A 45 5.391 -4.253 6.963 1.00 51.34 H new ATOM 0 HD3 LYS A 45 4.422 -4.483 5.521 1.00 51.34 H new ATOM 0 HE2 LYS A 45 3.008 -6.056 6.549 1.00 5.21 H new ATOM 0 HE3 LYS A 45 4.193 -6.483 7.768 1.00 5.21 H new ATOM 0 HZ1 LYS A 45 2.416 -5.153 8.702 1.00 3.44 H new ATOM 0 HZ2 LYS A 45 3.883 -4.305 8.793 1.00 3.44 H new ATOM 0 HZ3 LYS A 45 2.735 -3.891 7.612 1.00 3.44 H new ATOM 675 N VAL A 46 3.983 -8.564 2.316 1.00 14.15 N ATOM 676 CA VAL A 46 3.289 -8.666 1.038 1.00 32.52 C ATOM 677 C VAL A 46 2.015 -9.495 1.169 1.00 5.40 C ATOM 678 O VAL A 46 0.967 -9.129 0.638 1.00 52.15 O ATOM 679 CB VAL A 46 4.190 -9.297 -0.040 1.00 54.14 C ATOM 680 CG1 VAL A 46 3.497 -9.276 -1.394 1.00 54.22 C ATOM 681 CG2 VAL A 46 5.527 -8.575 -0.106 1.00 20.05 C ATOM 0 H VAL A 46 4.747 -9.229 2.435 1.00 14.15 H new ATOM 0 HA VAL A 46 3.029 -7.651 0.736 1.00 32.52 H new ATOM 0 HB VAL A 46 4.377 -10.336 0.230 1.00 54.14 H new ATOM 0 HG11 VAL A 46 4.149 -9.726 -2.143 1.00 54.22 H new ATOM 0 HG12 VAL A 46 2.567 -9.841 -1.335 1.00 54.22 H new ATOM 0 HG13 VAL A 46 3.278 -8.246 -1.675 1.00 54.22 H new ATOM 0 HG21 VAL A 46 6.151 -9.034 -0.873 1.00 20.05 H new ATOM 0 HG22 VAL A 46 5.362 -7.526 -0.352 1.00 20.05 H new ATOM 0 HG23 VAL A 46 6.027 -8.647 0.860 1.00 20.05 H new ATOM 691 N PHE A 47 2.114 -10.613 1.881 1.00 51.44 N ATOM 692 CA PHE A 47 0.970 -11.494 2.081 1.00 33.15 C ATOM 693 C PHE A 47 -0.182 -10.747 2.748 1.00 22.33 C ATOM 694 O PHE A 47 -1.347 -11.104 2.581 1.00 32.44 O ATOM 695 CB PHE A 47 1.371 -12.700 2.933 1.00 25.12 C ATOM 696 CG PHE A 47 0.287 -13.166 3.862 1.00 2.34 C ATOM 697 CD1 PHE A 47 -0.811 -13.857 3.376 1.00 42.21 C ATOM 698 CD2 PHE A 47 0.366 -12.913 5.222 1.00 0.43 C ATOM 699 CE1 PHE A 47 -1.810 -14.286 4.229 1.00 52.42 C ATOM 700 CE2 PHE A 47 -0.630 -13.339 6.080 1.00 32.32 C ATOM 701 CZ PHE A 47 -1.719 -14.028 5.583 1.00 53.43 C ATOM 0 H PHE A 47 2.974 -10.930 2.329 1.00 51.44 H new ATOM 0 HA PHE A 47 0.637 -11.843 1.104 1.00 33.15 H new ATOM 0 HB2 PHE A 47 1.652 -13.522 2.275 1.00 25.12 H new ATOM 0 HB3 PHE A 47 2.254 -12.444 3.518 1.00 25.12 H new ATOM 0 HD1 PHE A 47 -0.887 -14.063 2.319 1.00 42.21 H new ATOM 0 HD2 PHE A 47 1.216 -12.376 5.616 1.00 0.43 H new ATOM 0 HE1 PHE A 47 -2.661 -14.823 3.837 1.00 52.42 H new ATOM 0 HE2 PHE A 47 -0.557 -13.133 7.138 1.00 32.32 H new ATOM 0 HZ PHE A 47 -2.498 -14.364 6.252 1.00 53.43 H new ATOM 711 N GLY A 48 0.155 -9.708 3.506 1.00 54.42 N ATOM 712 CA GLY A 48 -0.861 -8.927 4.187 1.00 12.24 C ATOM 713 C GLY A 48 -1.606 -7.998 3.249 1.00 63.34 C ATOM 714 O GLY A 48 -2.568 -7.342 3.648 1.00 31.31 O ATOM 0 H GLY A 48 1.113 -9.393 3.661 1.00 54.42 H new ATOM 0 HA2 GLY A 48 -1.572 -9.600 4.666 1.00 12.24 H new ATOM 0 HA3 GLY A 48 -0.394 -8.341 4.978 1.00 12.24 H new ATOM 718 N ILE A 49 -1.159 -7.941 1.998 1.00 32.05 N ATOM 719 CA ILE A 49 -1.790 -7.085 1.001 1.00 22.31 C ATOM 720 C ILE A 49 -2.748 -7.881 0.121 1.00 14.45 C ATOM 721 O ILE A 49 -3.514 -7.309 -0.657 1.00 25.23 O ATOM 722 CB ILE A 49 -0.742 -6.396 0.107 1.00 70.40 C ATOM 723 CG1 ILE A 49 0.377 -5.798 0.963 1.00 74.34 C ATOM 724 CG2 ILE A 49 -1.398 -5.320 -0.745 1.00 11.13 C ATOM 725 CD1 ILE A 49 1.501 -5.194 0.151 1.00 61.40 C ATOM 0 H ILE A 49 -0.363 -8.477 1.652 1.00 32.05 H new ATOM 0 HA ILE A 49 -2.348 -6.324 1.546 1.00 22.31 H new ATOM 0 HB ILE A 49 -0.306 -7.142 -0.557 1.00 70.40 H new ATOM 0 HG12 ILE A 49 -0.044 -5.031 1.613 1.00 74.34 H new ATOM 0 HG13 ILE A 49 0.784 -6.575 1.610 1.00 74.34 H new ATOM 0 HG21 ILE A 49 -0.645 -4.842 -1.371 1.00 11.13 H new ATOM 0 HG22 ILE A 49 -2.162 -5.772 -1.377 1.00 11.13 H new ATOM 0 HG23 ILE A 49 -1.858 -4.574 -0.098 1.00 11.13 H new ATOM 0 HD11 ILE A 49 2.258 -4.789 0.823 1.00 61.40 H new ATOM 0 HD12 ILE A 49 1.948 -5.963 -0.479 1.00 61.40 H new ATOM 0 HD13 ILE A 49 1.108 -4.394 -0.476 1.00 61.40 H new ATOM 737 N LEU A 50 -2.703 -9.202 0.251 1.00 13.10 N ATOM 738 CA LEU A 50 -3.570 -10.077 -0.531 1.00 24.42 C ATOM 739 C LEU A 50 -4.930 -10.237 0.140 1.00 72.33 C ATOM 740 O LEU A 50 -5.969 -10.003 -0.478 1.00 32.40 O ATOM 741 CB LEU A 50 -2.913 -11.447 -0.712 1.00 74.21 C ATOM 742 CG LEU A 50 -1.386 -11.474 -0.642 1.00 32.40 C ATOM 743 CD1 LEU A 50 -0.869 -12.893 -0.825 1.00 4.31 C ATOM 744 CD2 LEU A 50 -0.788 -10.547 -1.690 1.00 24.05 C ATOM 0 H LEU A 50 -2.076 -9.691 0.890 1.00 13.10 H new ATOM 0 HA LEU A 50 -3.720 -9.620 -1.509 1.00 24.42 H new ATOM 0 HB2 LEU A 50 -3.304 -12.119 0.052 1.00 74.21 H new ATOM 0 HB3 LEU A 50 -3.220 -11.850 -1.677 1.00 74.21 H new ATOM 0 HG LEU A 50 -1.080 -11.122 0.343 1.00 32.40 H new ATOM 0 HD11 LEU A 50 0.220 -12.893 -0.772 1.00 4.31 H new ATOM 0 HD12 LEU A 50 -1.271 -13.531 -0.038 1.00 4.31 H new ATOM 0 HD13 LEU A 50 -1.185 -13.273 -1.796 1.00 4.31 H new ATOM 0 HD21 LEU A 50 0.300 -10.579 -1.626 1.00 24.05 H new ATOM 0 HD22 LEU A 50 -1.102 -10.869 -2.683 1.00 24.05 H new ATOM 0 HD23 LEU A 50 -1.132 -9.528 -1.513 1.00 24.05 H new ATOM 756 N ASP A 51 -4.916 -10.635 1.407 1.00 31.01 N ATOM 757 CA ASP A 51 -6.149 -10.823 2.163 1.00 2.03 C ATOM 758 C ASP A 51 -7.015 -9.568 2.111 1.00 71.41 C ATOM 759 O ASP A 51 -6.610 -8.546 1.559 1.00 65.01 O ATOM 760 CB ASP A 51 -5.832 -11.179 3.617 1.00 44.54 C ATOM 761 CG ASP A 51 -5.714 -9.952 4.500 1.00 35.23 C ATOM 762 OD1 ASP A 51 -4.658 -9.288 4.457 1.00 44.11 O ATOM 763 OD2 ASP A 51 -6.680 -9.656 5.235 1.00 61.33 O ATOM 0 H ASP A 51 -4.065 -10.834 1.932 1.00 31.01 H new ATOM 0 HA ASP A 51 -6.703 -11.644 1.708 1.00 2.03 H new ATOM 0 HB2 ASP A 51 -6.614 -11.830 4.007 1.00 44.54 H new ATOM 0 HB3 ASP A 51 -4.899 -11.742 3.655 1.00 44.54 H new ATOM 768 N GLN A 52 -8.209 -9.655 2.688 1.00 31.32 N ATOM 769 CA GLN A 52 -9.133 -8.527 2.705 1.00 22.22 C ATOM 770 C GLN A 52 -9.831 -8.415 4.057 1.00 65.33 C ATOM 771 O GLN A 52 -9.874 -7.341 4.657 1.00 60.22 O ATOM 772 CB GLN A 52 -10.172 -8.675 1.592 1.00 2.22 C ATOM 773 CG GLN A 52 -10.485 -10.120 1.240 1.00 61.01 C ATOM 774 CD GLN A 52 -11.898 -10.302 0.722 1.00 11.54 C ATOM 775 OE1 GLN A 52 -12.105 -10.723 -0.416 1.00 14.11 O ATOM 776 NE2 GLN A 52 -12.880 -9.984 1.558 1.00 52.22 N ATOM 0 H GLN A 52 -8.559 -10.494 3.150 1.00 31.32 H new ATOM 0 HA GLN A 52 -8.558 -7.616 2.537 1.00 22.22 H new ATOM 0 HB2 GLN A 52 -11.092 -8.177 1.897 1.00 2.22 H new ATOM 0 HB3 GLN A 52 -9.812 -8.162 0.700 1.00 2.22 H new ATOM 0 HG2 GLN A 52 -9.778 -10.468 0.486 1.00 61.01 H new ATOM 0 HG3 GLN A 52 -10.342 -10.744 2.122 1.00 61.01 H new ATOM 0 HE21 GLN A 52 -12.662 -9.639 2.493 1.00 52.22 H new ATOM 0 HE22 GLN A 52 -13.852 -10.085 1.265 1.00 52.22 H new ATOM 837 N PHE A 57 -5.470 -14.508 7.782 1.00 43.22 N ATOM 838 CA PHE A 57 -5.219 -15.651 6.911 1.00 14.43 C ATOM 839 C PHE A 57 -5.821 -15.422 5.528 1.00 60.43 C ATOM 840 O PHE A 57 -6.276 -14.323 5.211 1.00 35.10 O ATOM 841 CB PHE A 57 -5.799 -16.925 7.528 1.00 33.11 C ATOM 842 CG PHE A 57 -5.427 -17.116 8.971 1.00 55.22 C ATOM 843 CD1 PHE A 57 -4.104 -17.293 9.341 1.00 33.24 C ATOM 844 CD2 PHE A 57 -6.401 -17.118 9.956 1.00 34.14 C ATOM 845 CE1 PHE A 57 -3.759 -17.469 10.668 1.00 4.52 C ATOM 846 CE2 PHE A 57 -6.062 -17.293 11.285 1.00 42.43 C ATOM 847 CZ PHE A 57 -4.739 -17.469 11.641 1.00 60.21 C ATOM 0 HA PHE A 57 -4.140 -15.766 6.804 1.00 14.43 H new ATOM 0 HB2 PHE A 57 -6.885 -16.899 7.442 1.00 33.11 H new ATOM 0 HB3 PHE A 57 -5.454 -17.786 6.955 1.00 33.11 H new ATOM 0 HD1 PHE A 57 -3.333 -17.294 8.584 1.00 33.24 H new ATOM 0 HD2 PHE A 57 -7.437 -16.981 9.683 1.00 34.14 H new ATOM 0 HE1 PHE A 57 -2.724 -17.606 10.944 1.00 4.52 H new ATOM 0 HE2 PHE A 57 -6.831 -17.292 12.044 1.00 42.43 H new ATOM 0 HZ PHE A 57 -4.472 -17.606 12.678 1.00 60.21 H new ATOM 857 N ILE A 58 -5.818 -16.468 4.708 1.00 31.32 N ATOM 858 CA ILE A 58 -6.364 -16.383 3.359 1.00 4.42 C ATOM 859 C ILE A 58 -6.897 -17.734 2.895 1.00 13.33 C ATOM 860 O ILE A 58 -6.137 -18.685 2.722 1.00 70.51 O ATOM 861 CB ILE A 58 -5.306 -15.889 2.355 1.00 41.34 C ATOM 862 CG1 ILE A 58 -4.935 -14.433 2.646 1.00 71.04 C ATOM 863 CG2 ILE A 58 -5.819 -16.036 0.930 1.00 12.40 C ATOM 864 CD1 ILE A 58 -3.841 -13.897 1.749 1.00 73.23 C ATOM 0 H ILE A 58 -5.443 -17.384 4.954 1.00 31.32 H new ATOM 0 HA ILE A 58 -7.184 -15.665 3.395 1.00 4.42 H new ATOM 0 HB ILE A 58 -4.410 -16.501 2.463 1.00 41.34 H new ATOM 0 HG12 ILE A 58 -5.823 -13.811 2.534 1.00 71.04 H new ATOM 0 HG13 ILE A 58 -4.616 -14.349 3.685 1.00 71.04 H new ATOM 0 HG21 ILE A 58 -5.060 -15.683 0.232 1.00 12.40 H new ATOM 0 HG22 ILE A 58 -6.038 -17.085 0.728 1.00 12.40 H new ATOM 0 HG23 ILE A 58 -6.727 -15.446 0.808 1.00 12.40 H new ATOM 0 HD11 ILE A 58 -3.630 -12.860 2.012 1.00 73.23 H new ATOM 0 HD12 ILE A 58 -2.939 -14.495 1.878 1.00 73.23 H new ATOM 0 HD13 ILE A 58 -4.165 -13.949 0.709 1.00 73.23 H new ATOM 876 N GLU A 59 -8.209 -17.808 2.694 1.00 33.35 N ATOM 877 CA GLU A 59 -8.844 -19.043 2.249 1.00 32.22 C ATOM 878 C GLU A 59 -8.860 -19.128 0.726 1.00 61.23 C ATOM 879 O GLU A 59 -8.579 -18.148 0.037 1.00 64.23 O ATOM 880 CB GLU A 59 -10.273 -19.132 2.791 1.00 65.43 C ATOM 881 CG GLU A 59 -10.368 -18.929 4.294 1.00 65.55 C ATOM 882 CD GLU A 59 -10.964 -20.127 5.007 1.00 11.14 C ATOM 883 OE1 GLU A 59 -10.666 -21.269 4.601 1.00 31.54 O ATOM 884 OE2 GLU A 59 -11.729 -19.921 5.973 1.00 52.43 O ATOM 0 H GLU A 59 -8.852 -17.028 2.832 1.00 33.35 H new ATOM 0 HA GLU A 59 -8.263 -19.880 2.636 1.00 32.22 H new ATOM 0 HB2 GLU A 59 -10.889 -18.384 2.292 1.00 65.43 H new ATOM 0 HB3 GLU A 59 -10.689 -20.107 2.538 1.00 65.43 H new ATOM 0 HG2 GLU A 59 -9.374 -18.730 4.694 1.00 65.55 H new ATOM 0 HG3 GLU A 59 -10.976 -18.048 4.500 1.00 65.55 H new ATOM 891 N GLU A 60 -9.190 -20.307 0.208 1.00 74.21 N ATOM 892 CA GLU A 60 -9.241 -20.520 -1.234 1.00 33.43 C ATOM 893 C GLU A 60 -10.085 -19.446 -1.913 1.00 54.01 C ATOM 894 O GLU A 60 -9.881 -19.132 -3.085 1.00 54.41 O ATOM 895 CB GLU A 60 -9.811 -21.906 -1.547 1.00 4.31 C ATOM 896 CG GLU A 60 -9.622 -22.328 -2.994 1.00 71.22 C ATOM 897 CD GLU A 60 -10.836 -22.030 -3.852 1.00 14.30 C ATOM 898 OE1 GLU A 60 -11.950 -22.447 -3.469 1.00 4.12 O ATOM 899 OE2 GLU A 60 -10.674 -21.380 -4.906 1.00 10.23 O ATOM 0 H GLU A 60 -9.426 -21.129 0.765 1.00 74.21 H new ATOM 0 HA GLU A 60 -8.224 -20.457 -1.621 1.00 33.43 H new ATOM 0 HB2 GLU A 60 -9.335 -22.641 -0.898 1.00 4.31 H new ATOM 0 HB3 GLU A 60 -10.875 -21.914 -1.311 1.00 4.31 H new ATOM 0 HG2 GLU A 60 -8.754 -21.814 -3.408 1.00 71.22 H new ATOM 0 HG3 GLU A 60 -9.408 -23.396 -3.032 1.00 71.22 H new ATOM 906 N GLU A 61 -11.034 -18.888 -1.168 1.00 11.33 N ATOM 907 CA GLU A 61 -11.910 -17.850 -1.699 1.00 10.23 C ATOM 908 C GLU A 61 -11.118 -16.590 -2.038 1.00 21.41 C ATOM 909 O GLU A 61 -11.283 -16.012 -3.111 1.00 14.50 O ATOM 910 CB GLU A 61 -13.012 -17.517 -0.691 1.00 1.52 C ATOM 911 CG GLU A 61 -13.738 -18.740 -0.156 1.00 4.53 C ATOM 912 CD GLU A 61 -13.365 -19.058 1.279 1.00 4.11 C ATOM 913 OE1 GLU A 61 -13.434 -18.143 2.126 1.00 1.05 O ATOM 914 OE2 GLU A 61 -13.003 -20.221 1.555 1.00 53.12 O ATOM 0 H GLU A 61 -11.216 -19.137 -0.196 1.00 11.33 H new ATOM 0 HA GLU A 61 -12.366 -18.229 -2.614 1.00 10.23 H new ATOM 0 HB2 GLU A 61 -12.575 -16.970 0.144 1.00 1.52 H new ATOM 0 HB3 GLU A 61 -13.736 -16.853 -1.163 1.00 1.52 H new ATOM 0 HG2 GLU A 61 -14.814 -18.576 -0.220 1.00 4.53 H new ATOM 0 HG3 GLU A 61 -13.508 -19.599 -0.786 1.00 4.53 H new ATOM 921 N GLU A 62 -10.258 -16.173 -1.114 1.00 43.33 N ATOM 922 CA GLU A 62 -9.441 -14.981 -1.315 1.00 73.31 C ATOM 923 C GLU A 62 -8.106 -15.339 -1.961 1.00 70.43 C ATOM 924 O GLU A 62 -7.307 -14.461 -2.290 1.00 31.40 O ATOM 925 CB GLU A 62 -9.201 -14.270 0.018 1.00 23.22 C ATOM 926 CG GLU A 62 -10.242 -13.212 0.340 1.00 34.03 C ATOM 927 CD GLU A 62 -11.602 -13.807 0.649 1.00 34.24 C ATOM 928 OE1 GLU A 62 -11.666 -15.020 0.942 1.00 1.21 O ATOM 929 OE2 GLU A 62 -12.603 -13.061 0.598 1.00 25.55 O ATOM 0 H GLU A 62 -10.109 -16.642 -0.220 1.00 43.33 H new ATOM 0 HA GLU A 62 -9.980 -14.311 -1.984 1.00 73.31 H new ATOM 0 HB2 GLU A 62 -9.188 -15.010 0.818 1.00 23.22 H new ATOM 0 HB3 GLU A 62 -8.216 -13.804 -0.001 1.00 23.22 H new ATOM 0 HG2 GLU A 62 -9.905 -12.624 1.193 1.00 34.03 H new ATOM 0 HG3 GLU A 62 -10.332 -12.528 -0.504 1.00 34.03 H new ATOM 936 N LEU A 63 -7.871 -16.634 -2.140 1.00 25.51 N ATOM 937 CA LEU A 63 -6.632 -17.110 -2.746 1.00 70.52 C ATOM 938 C LEU A 63 -6.684 -16.980 -4.265 1.00 72.31 C ATOM 939 O LEU A 63 -5.653 -16.831 -4.920 1.00 11.21 O ATOM 940 CB LEU A 63 -6.377 -18.567 -2.356 1.00 72.53 C ATOM 941 CG LEU A 63 -4.918 -19.023 -2.380 1.00 22.31 C ATOM 942 CD1 LEU A 63 -4.122 -18.323 -1.289 1.00 51.25 C ATOM 943 CD2 LEU A 63 -4.828 -20.534 -2.221 1.00 73.02 C ATOM 0 H LEU A 63 -8.522 -17.373 -1.874 1.00 25.51 H new ATOM 0 HA LEU A 63 -5.814 -16.493 -2.375 1.00 70.52 H new ATOM 0 HB2 LEU A 63 -6.770 -18.728 -1.352 1.00 72.53 H new ATOM 0 HB3 LEU A 63 -6.948 -19.207 -3.028 1.00 72.53 H new ATOM 0 HG LEU A 63 -4.489 -18.753 -3.345 1.00 22.31 H new ATOM 0 HD11 LEU A 63 -3.086 -18.660 -1.321 1.00 51.25 H new ATOM 0 HD12 LEU A 63 -4.158 -17.245 -1.447 1.00 51.25 H new ATOM 0 HD13 LEU A 63 -4.551 -18.562 -0.316 1.00 51.25 H new ATOM 0 HD21 LEU A 63 -3.782 -20.840 -2.240 1.00 73.02 H new ATOM 0 HD22 LEU A 63 -5.274 -20.827 -1.271 1.00 73.02 H new ATOM 0 HD23 LEU A 63 -5.363 -21.018 -3.038 1.00 73.02 H new ATOM 955 N GLN A 64 -7.892 -17.036 -4.818 1.00 22.25 N ATOM 956 CA GLN A 64 -8.078 -16.923 -6.259 1.00 43.03 C ATOM 957 C GLN A 64 -7.743 -15.516 -6.742 1.00 54.44 C ATOM 958 O GLN A 64 -7.753 -15.241 -7.943 1.00 64.42 O ATOM 959 CB GLN A 64 -9.517 -17.277 -6.639 1.00 2.25 C ATOM 960 CG GLN A 64 -10.523 -16.193 -6.285 1.00 61.34 C ATOM 961 CD GLN A 64 -11.931 -16.537 -6.731 1.00 2.24 C ATOM 962 OE1 GLN A 64 -12.136 -17.448 -7.533 1.00 24.21 O ATOM 963 NE2 GLN A 64 -12.911 -15.807 -6.211 1.00 1.00 N ATOM 0 H GLN A 64 -8.756 -17.159 -4.289 1.00 22.25 H new ATOM 0 HA GLN A 64 -7.399 -17.625 -6.744 1.00 43.03 H new ATOM 0 HB2 GLN A 64 -9.564 -17.469 -7.711 1.00 2.25 H new ATOM 0 HB3 GLN A 64 -9.800 -18.202 -6.136 1.00 2.25 H new ATOM 0 HG2 GLN A 64 -10.516 -16.034 -5.207 1.00 61.34 H new ATOM 0 HG3 GLN A 64 -10.218 -15.254 -6.748 1.00 61.34 H new ATOM 0 HE21 GLN A 64 -12.696 -15.061 -5.549 1.00 1.00 H new ATOM 0 HE22 GLN A 64 -13.879 -15.992 -6.473 1.00 1.00 H new ATOM 972 N LEU A 65 -7.449 -14.627 -5.800 1.00 40.53 N ATOM 973 CA LEU A 65 -7.112 -13.246 -6.130 1.00 3.04 C ATOM 974 C LEU A 65 -5.606 -13.019 -6.046 1.00 43.40 C ATOM 975 O LEU A 65 -5.142 -11.880 -5.979 1.00 40.02 O ATOM 976 CB LEU A 65 -7.837 -12.284 -5.187 1.00 73.21 C ATOM 977 CG LEU A 65 -9.245 -12.699 -4.758 1.00 72.14 C ATOM 978 CD1 LEU A 65 -9.732 -11.828 -3.611 1.00 30.35 C ATOM 979 CD2 LEU A 65 -10.206 -12.619 -5.935 1.00 74.45 C ATOM 0 H LEU A 65 -7.437 -14.837 -4.802 1.00 40.53 H new ATOM 0 HA LEU A 65 -7.434 -13.054 -7.153 1.00 3.04 H new ATOM 0 HB2 LEU A 65 -7.229 -12.157 -4.292 1.00 73.21 H new ATOM 0 HB3 LEU A 65 -7.899 -11.309 -5.671 1.00 73.21 H new ATOM 0 HG LEU A 65 -9.209 -13.732 -4.413 1.00 72.14 H new ATOM 0 HD11 LEU A 65 -10.735 -12.138 -3.319 1.00 30.35 H new ATOM 0 HD12 LEU A 65 -9.058 -11.935 -2.761 1.00 30.35 H new ATOM 0 HD13 LEU A 65 -9.752 -10.786 -3.929 1.00 30.35 H new ATOM 0 HD21 LEU A 65 -11.203 -12.918 -5.612 1.00 74.45 H new ATOM 0 HD22 LEU A 65 -10.238 -11.596 -6.310 1.00 74.45 H new ATOM 0 HD23 LEU A 65 -9.867 -13.286 -6.728 1.00 74.45 H new ATOM 991 N PHE A 66 -4.847 -14.109 -6.052 1.00 64.34 N ATOM 992 CA PHE A 66 -3.392 -14.029 -5.979 1.00 34.05 C ATOM 993 C PHE A 66 -2.821 -13.350 -7.220 1.00 74.53 C ATOM 994 O PHE A 66 -1.755 -12.736 -7.171 1.00 40.02 O ATOM 995 CB PHE A 66 -2.790 -15.427 -5.825 1.00 74.33 C ATOM 996 CG PHE A 66 -1.289 -15.434 -5.805 1.00 65.53 C ATOM 997 CD1 PHE A 66 -0.596 -15.117 -4.648 1.00 14.02 C ATOM 998 CD2 PHE A 66 -0.569 -15.758 -6.944 1.00 61.22 C ATOM 999 CE1 PHE A 66 0.786 -15.123 -4.626 1.00 13.02 C ATOM 1000 CE2 PHE A 66 0.813 -15.766 -6.928 1.00 60.31 C ATOM 1001 CZ PHE A 66 1.491 -15.447 -5.768 1.00 22.11 C ATOM 0 H PHE A 66 -5.215 -15.059 -6.107 1.00 64.34 H new ATOM 0 HA PHE A 66 -3.130 -13.430 -5.107 1.00 34.05 H new ATOM 0 HB2 PHE A 66 -3.160 -15.873 -4.902 1.00 74.33 H new ATOM 0 HB3 PHE A 66 -3.137 -16.056 -6.645 1.00 74.33 H new ATOM 0 HD1 PHE A 66 -1.142 -14.862 -3.752 1.00 14.02 H new ATOM 0 HD2 PHE A 66 -1.094 -16.007 -7.854 1.00 61.22 H new ATOM 0 HE1 PHE A 66 1.314 -14.875 -3.717 1.00 13.02 H new ATOM 0 HE2 PHE A 66 1.362 -16.022 -7.822 1.00 60.31 H new ATOM 0 HZ PHE A 66 2.571 -15.451 -5.754 1.00 22.11 H new ATOM 1011 N LEU A 67 -3.538 -13.467 -8.333 1.00 10.33 N ATOM 1012 CA LEU A 67 -3.104 -12.865 -9.589 1.00 23.41 C ATOM 1013 C LEU A 67 -3.425 -11.374 -9.619 1.00 24.54 C ATOM 1014 O LEU A 67 -3.096 -10.676 -10.578 1.00 75.53 O ATOM 1015 CB LEU A 67 -3.774 -13.567 -10.771 1.00 54.45 C ATOM 1016 CG LEU A 67 -3.018 -14.756 -11.363 1.00 61.51 C ATOM 1017 CD1 LEU A 67 -3.890 -15.499 -12.363 1.00 62.45 C ATOM 1018 CD2 LEU A 67 -1.725 -14.294 -12.020 1.00 14.32 C ATOM 0 H LEU A 67 -4.422 -13.973 -8.391 1.00 10.33 H new ATOM 0 HA LEU A 67 -2.024 -12.986 -9.667 1.00 23.41 H new ATOM 0 HB2 LEU A 67 -4.758 -13.910 -10.453 1.00 54.45 H new ATOM 0 HB3 LEU A 67 -3.932 -12.833 -11.561 1.00 54.45 H new ATOM 0 HG LEU A 67 -2.766 -15.440 -10.553 1.00 61.51 H new ATOM 0 HD11 LEU A 67 -3.335 -16.342 -12.774 1.00 62.45 H new ATOM 0 HD12 LEU A 67 -4.787 -15.864 -11.863 1.00 62.45 H new ATOM 0 HD13 LEU A 67 -4.174 -14.824 -13.170 1.00 62.45 H new ATOM 0 HD21 LEU A 67 -1.201 -15.154 -12.436 1.00 14.32 H new ATOM 0 HD22 LEU A 67 -1.955 -13.588 -12.818 1.00 14.32 H new ATOM 0 HD23 LEU A 67 -1.093 -13.808 -11.277 1.00 14.32 H new ATOM 1030 N LYS A 68 -4.066 -10.892 -8.560 1.00 53.51 N ATOM 1031 CA LYS A 68 -4.429 -9.483 -8.462 1.00 0.33 C ATOM 1032 C LYS A 68 -3.316 -8.680 -7.796 1.00 50.52 C ATOM 1033 O LYS A 68 -3.267 -7.456 -7.911 1.00 52.33 O ATOM 1034 CB LYS A 68 -5.730 -9.324 -7.671 1.00 43.23 C ATOM 1035 CG LYS A 68 -6.798 -10.335 -8.049 1.00 14.10 C ATOM 1036 CD LYS A 68 -7.323 -10.093 -9.455 1.00 24.54 C ATOM 1037 CE LYS A 68 -8.642 -9.337 -9.435 1.00 70.11 C ATOM 1038 NZ LYS A 68 -9.691 -10.071 -8.674 1.00 42.20 N ATOM 0 H LYS A 68 -4.345 -11.456 -7.757 1.00 53.51 H new ATOM 0 HA LYS A 68 -4.576 -9.100 -9.472 1.00 0.33 H new ATOM 0 HB2 LYS A 68 -5.513 -9.418 -6.607 1.00 43.23 H new ATOM 0 HB3 LYS A 68 -6.121 -8.319 -7.829 1.00 43.23 H new ATOM 0 HG2 LYS A 68 -6.387 -11.342 -7.982 1.00 14.10 H new ATOM 0 HG3 LYS A 68 -7.622 -10.279 -7.337 1.00 14.10 H new ATOM 0 HD2 LYS A 68 -6.587 -9.528 -10.027 1.00 24.54 H new ATOM 0 HD3 LYS A 68 -7.457 -11.048 -9.964 1.00 24.54 H new ATOM 0 HE2 LYS A 68 -8.490 -8.354 -8.989 1.00 70.11 H new ATOM 0 HE3 LYS A 68 -8.982 -9.174 -10.458 1.00 70.11 H new ATOM 0 HZ1 LYS A 68 -10.628 -9.700 -8.929 1.00 42.20 H new ATOM 0 HZ2 LYS A 68 -9.645 -11.083 -8.907 1.00 42.20 H new ATOM 0 HZ3 LYS A 68 -9.533 -9.943 -7.654 1.00 42.20 H new ATOM 1052 N ASN A 69 -2.423 -9.377 -7.101 1.00 72.13 N ATOM 1053 CA ASN A 69 -1.310 -8.728 -6.418 1.00 60.23 C ATOM 1054 C ASN A 69 -0.107 -8.592 -7.347 1.00 11.21 C ATOM 1055 O ASN A 69 0.842 -7.867 -7.048 1.00 64.22 O ATOM 1056 CB ASN A 69 -0.918 -9.522 -5.170 1.00 43.24 C ATOM 1057 CG ASN A 69 -2.057 -10.374 -4.645 1.00 41.04 C ATOM 1058 OD1 ASN A 69 -1.928 -11.592 -4.518 1.00 12.44 O ATOM 1059 ND2 ASN A 69 -3.180 -9.736 -4.339 1.00 13.34 N ATOM 0 H ASN A 69 -2.448 -10.391 -6.996 1.00 72.13 H new ATOM 0 HA ASN A 69 -1.631 -7.730 -6.120 1.00 60.23 H new ATOM 0 HB2 ASN A 69 -0.067 -10.162 -5.402 1.00 43.24 H new ATOM 0 HB3 ASN A 69 -0.595 -8.832 -4.390 1.00 43.24 H new ATOM 0 HD21 ASN A 69 -3.981 -10.257 -3.982 1.00 13.34 H new ATOM 0 HD22 ASN A 69 -3.242 -8.725 -4.460 1.00 13.34 H new ATOM 1066 N PHE A 70 -0.155 -9.293 -8.475 1.00 2.12 N ATOM 1067 CA PHE A 70 0.931 -9.251 -9.448 1.00 13.24 C ATOM 1068 C PHE A 70 0.471 -8.598 -10.748 1.00 12.33 C ATOM 1069 O PHE A 70 1.092 -7.652 -11.234 1.00 32.44 O ATOM 1070 CB PHE A 70 1.447 -10.663 -9.728 1.00 65.42 C ATOM 1071 CG PHE A 70 2.140 -11.293 -8.553 1.00 41.34 C ATOM 1072 CD1 PHE A 70 1.415 -11.725 -7.455 1.00 34.01 C ATOM 1073 CD2 PHE A 70 3.516 -11.453 -8.548 1.00 3.53 C ATOM 1074 CE1 PHE A 70 2.050 -12.304 -6.372 1.00 54.33 C ATOM 1075 CE2 PHE A 70 4.157 -12.031 -7.468 1.00 51.01 C ATOM 1076 CZ PHE A 70 3.422 -12.458 -6.379 1.00 62.04 C ATOM 0 H PHE A 70 -0.934 -9.897 -8.738 1.00 2.12 H new ATOM 0 HA PHE A 70 1.740 -8.653 -9.028 1.00 13.24 H new ATOM 0 HB2 PHE A 70 0.610 -11.294 -10.027 1.00 65.42 H new ATOM 0 HB3 PHE A 70 2.137 -10.628 -10.571 1.00 65.42 H new ATOM 0 HD1 PHE A 70 0.341 -11.608 -7.445 1.00 34.01 H new ATOM 0 HD2 PHE A 70 4.095 -11.122 -9.398 1.00 3.53 H new ATOM 0 HE1 PHE A 70 1.473 -12.636 -5.521 1.00 54.33 H new ATOM 0 HE2 PHE A 70 5.231 -12.149 -7.476 1.00 51.01 H new ATOM 0 HZ PHE A 70 3.920 -12.911 -5.535 1.00 62.04 H new ATOM 1086 N SER A 71 -0.621 -9.110 -11.306 1.00 54.50 N ATOM 1087 CA SER A 71 -1.163 -8.580 -12.552 1.00 41.11 C ATOM 1088 C SER A 71 -2.530 -7.942 -12.323 1.00 22.23 C ATOM 1089 O SER A 71 -3.177 -8.184 -11.304 1.00 71.51 O ATOM 1090 CB SER A 71 -1.275 -9.691 -13.597 1.00 70.43 C ATOM 1091 OG SER A 71 -0.360 -9.486 -14.660 1.00 30.42 O ATOM 0 H SER A 71 -1.148 -9.891 -10.915 1.00 54.50 H new ATOM 0 HA SER A 71 -0.481 -7.813 -12.919 1.00 41.11 H new ATOM 0 HB2 SER A 71 -1.082 -10.656 -13.128 1.00 70.43 H new ATOM 0 HB3 SER A 71 -2.291 -9.724 -13.989 1.00 70.43 H new ATOM 0 HG SER A 71 -0.450 -10.211 -15.314 1.00 30.42 H new ATOM 1097 N SER A 72 -2.963 -7.125 -13.278 1.00 24.51 N ATOM 1098 CA SER A 72 -4.251 -6.449 -13.180 1.00 4.04 C ATOM 1099 C SER A 72 -5.198 -6.922 -14.278 1.00 42.34 C ATOM 1100 O SER A 72 -6.288 -6.377 -14.450 1.00 33.12 O ATOM 1101 CB SER A 72 -4.063 -4.933 -13.270 1.00 23.31 C ATOM 1102 OG SER A 72 -5.299 -4.257 -13.126 1.00 55.41 O ATOM 0 H SER A 72 -2.440 -6.915 -14.129 1.00 24.51 H new ATOM 0 HA SER A 72 -4.691 -6.697 -12.214 1.00 4.04 H new ATOM 0 HB2 SER A 72 -3.372 -4.602 -12.495 1.00 23.31 H new ATOM 0 HB3 SER A 72 -3.614 -4.675 -14.229 1.00 23.31 H new ATOM 0 HG SER A 72 -6.012 -4.786 -13.541 1.00 55.41 H new ATOM 1108 N SER A 73 -4.772 -7.939 -15.020 1.00 73.23 N ATOM 1109 CA SER A 73 -5.580 -8.484 -16.106 1.00 23.05 C ATOM 1110 C SER A 73 -6.259 -9.782 -15.679 1.00 3.13 C ATOM 1111 O SER A 73 -7.441 -9.993 -15.945 1.00 34.11 O ATOM 1112 CB SER A 73 -4.712 -8.732 -17.341 1.00 4.53 C ATOM 1113 OG SER A 73 -5.438 -9.419 -18.345 1.00 43.30 O ATOM 0 H SER A 73 -3.873 -8.402 -14.890 1.00 73.23 H new ATOM 0 HA SER A 73 -6.351 -7.755 -16.353 1.00 23.05 H new ATOM 0 HB2 SER A 73 -4.353 -7.781 -17.734 1.00 4.53 H new ATOM 0 HB3 SER A 73 -3.833 -9.313 -17.061 1.00 4.53 H new ATOM 0 HG SER A 73 -4.862 -9.564 -19.124 1.00 43.30 H new ATOM 1119 N ALA A 74 -5.501 -10.648 -15.015 1.00 25.32 N ATOM 1120 CA ALA A 74 -6.028 -11.925 -14.549 1.00 11.31 C ATOM 1121 C ALA A 74 -7.124 -11.719 -13.508 1.00 63.04 C ATOM 1122 O ALA A 74 -6.848 -11.338 -12.370 1.00 74.54 O ATOM 1123 CB ALA A 74 -4.908 -12.781 -13.977 1.00 34.51 C ATOM 0 H ALA A 74 -4.520 -10.489 -14.787 1.00 25.32 H new ATOM 0 HA ALA A 74 -6.466 -12.443 -15.402 1.00 11.31 H new ATOM 0 HB1 ALA A 74 -5.316 -13.731 -13.633 1.00 34.51 H new ATOM 0 HB2 ALA A 74 -4.160 -12.965 -14.749 1.00 34.51 H new ATOM 0 HB3 ALA A 74 -4.444 -12.261 -13.139 1.00 34.51 H new ATOM 1129 N ARG A 75 -8.366 -11.972 -13.906 1.00 73.22 N ATOM 1130 CA ARG A 75 -9.503 -11.813 -13.008 1.00 15.30 C ATOM 1131 C ARG A 75 -9.285 -12.587 -11.711 1.00 71.04 C ATOM 1132 O ARG A 75 -9.409 -12.035 -10.618 1.00 22.11 O ATOM 1133 CB ARG A 75 -10.789 -12.288 -13.688 1.00 65.32 C ATOM 1134 CG ARG A 75 -10.666 -13.661 -14.330 1.00 41.40 C ATOM 1135 CD ARG A 75 -11.396 -13.720 -15.663 1.00 2.42 C ATOM 1136 NE ARG A 75 -10.824 -14.723 -16.556 1.00 44.04 N ATOM 1137 CZ ARG A 75 -10.948 -16.032 -16.367 1.00 43.11 C ATOM 1138 NH1 ARG A 75 -11.621 -16.493 -15.322 1.00 63.10 N ATOM 1139 NH2 ARG A 75 -10.398 -16.883 -17.225 1.00 14.53 N ATOM 0 H ARG A 75 -8.611 -12.288 -14.844 1.00 73.22 H new ATOM 0 HA ARG A 75 -9.597 -10.754 -12.767 1.00 15.30 H new ATOM 0 HB2 ARG A 75 -11.592 -12.311 -12.952 1.00 65.32 H new ATOM 0 HB3 ARG A 75 -11.076 -11.564 -14.450 1.00 65.32 H new ATOM 0 HG2 ARG A 75 -9.613 -13.901 -14.479 1.00 41.40 H new ATOM 0 HG3 ARG A 75 -11.073 -14.416 -13.657 1.00 41.40 H new ATOM 0 HD2 ARG A 75 -12.448 -13.946 -15.490 1.00 2.42 H new ATOM 0 HD3 ARG A 75 -11.355 -12.742 -16.142 1.00 2.42 H new ATOM 0 HE ARG A 75 -10.300 -14.401 -17.370 1.00 44.04 H new ATOM 0 HH11 ARG A 75 -12.045 -15.842 -14.661 1.00 63.10 H new ATOM 0 HH12 ARG A 75 -11.715 -17.499 -15.179 1.00 63.10 H new ATOM 0 HH21 ARG A 75 -9.880 -16.532 -18.030 1.00 14.53 H new ATOM 0 HH22 ARG A 75 -10.494 -17.888 -17.079 1.00 14.53 H new ATOM 1153 N VAL A 76 -8.960 -13.869 -11.842 1.00 30.45 N ATOM 1154 CA VAL A 76 -8.724 -14.720 -10.681 1.00 2.20 C ATOM 1155 C VAL A 76 -7.952 -15.976 -11.068 1.00 73.33 C ATOM 1156 O VAL A 76 -7.665 -16.204 -12.244 1.00 42.13 O ATOM 1157 CB VAL A 76 -10.047 -15.130 -10.007 1.00 63.12 C ATOM 1158 CG1 VAL A 76 -10.498 -14.063 -9.022 1.00 40.41 C ATOM 1159 CG2 VAL A 76 -11.119 -15.389 -11.054 1.00 55.23 C ATOM 0 H VAL A 76 -8.854 -14.341 -12.740 1.00 30.45 H new ATOM 0 HA VAL A 76 -8.132 -14.136 -9.976 1.00 2.20 H new ATOM 0 HB VAL A 76 -9.882 -16.054 -9.453 1.00 63.12 H new ATOM 0 HG11 VAL A 76 -11.434 -14.370 -8.556 1.00 40.41 H new ATOM 0 HG12 VAL A 76 -9.736 -13.932 -8.254 1.00 40.41 H new ATOM 0 HG13 VAL A 76 -10.648 -13.121 -9.549 1.00 40.41 H new ATOM 0 HG21 VAL A 76 -12.047 -15.678 -10.561 1.00 55.23 H new ATOM 0 HG22 VAL A 76 -11.284 -14.483 -11.637 1.00 55.23 H new ATOM 0 HG23 VAL A 76 -10.795 -16.192 -11.716 1.00 55.23 H new ATOM 1169 N LEU A 77 -7.620 -16.790 -10.072 1.00 62.14 N ATOM 1170 CA LEU A 77 -6.881 -18.026 -10.308 1.00 53.12 C ATOM 1171 C LEU A 77 -7.766 -19.069 -10.984 1.00 11.51 C ATOM 1172 O LEU A 77 -8.992 -18.954 -10.982 1.00 74.11 O ATOM 1173 CB LEU A 77 -6.339 -18.579 -8.989 1.00 43.41 C ATOM 1174 CG LEU A 77 -5.355 -17.680 -8.239 1.00 12.32 C ATOM 1175 CD1 LEU A 77 -4.660 -18.457 -7.132 1.00 0.44 C ATOM 1176 CD2 LEU A 77 -4.334 -17.087 -9.199 1.00 74.54 C ATOM 0 H LEU A 77 -7.851 -16.617 -9.094 1.00 62.14 H new ATOM 0 HA LEU A 77 -6.046 -17.800 -10.971 1.00 53.12 H new ATOM 0 HB2 LEU A 77 -7.183 -18.788 -8.332 1.00 43.41 H new ATOM 0 HB3 LEU A 77 -5.849 -19.531 -9.191 1.00 43.41 H new ATOM 0 HG LEU A 77 -5.914 -16.862 -7.785 1.00 12.32 H new ATOM 0 HD11 LEU A 77 -3.964 -17.801 -6.609 1.00 0.44 H new ATOM 0 HD12 LEU A 77 -5.403 -18.832 -6.428 1.00 0.44 H new ATOM 0 HD13 LEU A 77 -4.114 -19.296 -7.564 1.00 0.44 H new ATOM 0 HD21 LEU A 77 -3.643 -16.450 -8.647 1.00 74.54 H new ATOM 0 HD22 LEU A 77 -3.780 -17.891 -9.683 1.00 74.54 H new ATOM 0 HD23 LEU A 77 -4.848 -16.494 -9.956 1.00 74.54 H new ATOM 1188 N THR A 78 -7.136 -20.088 -11.560 1.00 55.23 N ATOM 1189 CA THR A 78 -7.866 -21.152 -12.239 1.00 2.32 C ATOM 1190 C THR A 78 -7.639 -22.496 -11.556 1.00 14.41 C ATOM 1191 O THR A 78 -7.061 -22.562 -10.471 1.00 41.14 O ATOM 1192 CB THR A 78 -7.450 -21.263 -13.718 1.00 23.54 C ATOM 1193 OG1 THR A 78 -8.408 -22.046 -14.438 1.00 70.24 O ATOM 1194 CG2 THR A 78 -6.072 -21.895 -13.846 1.00 21.43 C ATOM 0 H THR A 78 -6.122 -20.199 -11.570 1.00 55.23 H new ATOM 0 HA THR A 78 -8.924 -20.894 -12.186 1.00 2.32 H new ATOM 0 HB THR A 78 -7.412 -20.258 -14.139 1.00 23.54 H new ATOM 0 HG1 THR A 78 -8.138 -22.111 -15.378 1.00 70.24 H new ATOM 0 HG21 THR A 78 -5.799 -21.963 -14.899 1.00 21.43 H new ATOM 0 HG22 THR A 78 -5.340 -21.281 -13.321 1.00 21.43 H new ATOM 0 HG23 THR A 78 -6.088 -22.894 -13.410 1.00 21.43 H new ATOM 1202 N SER A 79 -8.098 -23.565 -12.198 1.00 33.21 N ATOM 1203 CA SER A 79 -7.948 -24.908 -11.650 1.00 72.32 C ATOM 1204 C SER A 79 -6.524 -25.419 -11.846 1.00 40.14 C ATOM 1205 O SER A 79 -6.306 -26.457 -12.470 1.00 24.23 O ATOM 1206 CB SER A 79 -8.941 -25.866 -12.312 1.00 51.31 C ATOM 1207 OG SER A 79 -10.264 -25.615 -11.869 1.00 24.52 O ATOM 0 H SER A 79 -8.577 -23.528 -13.098 1.00 33.21 H new ATOM 0 HA SER A 79 -8.155 -24.862 -10.581 1.00 72.32 H new ATOM 0 HB2 SER A 79 -8.890 -25.756 -13.395 1.00 51.31 H new ATOM 0 HB3 SER A 79 -8.666 -26.896 -12.082 1.00 51.31 H new ATOM 0 HG SER A 79 -10.880 -26.239 -12.308 1.00 24.52 H new ATOM 1213 N ALA A 80 -5.558 -24.681 -11.309 1.00 52.55 N ATOM 1214 CA ALA A 80 -4.155 -25.058 -11.423 1.00 70.40 C ATOM 1215 C ALA A 80 -3.266 -24.118 -10.616 1.00 33.33 C ATOM 1216 O ALA A 80 -2.297 -24.549 -9.992 1.00 61.44 O ATOM 1217 CB ALA A 80 -3.728 -25.068 -12.883 1.00 45.22 C ATOM 0 H ALA A 80 -5.722 -23.818 -10.790 1.00 52.55 H new ATOM 0 HA ALA A 80 -4.040 -26.062 -11.016 1.00 70.40 H new ATOM 0 HB1 ALA A 80 -2.678 -25.351 -12.953 1.00 45.22 H new ATOM 0 HB2 ALA A 80 -4.335 -25.786 -13.435 1.00 45.22 H new ATOM 0 HB3 ALA A 80 -3.865 -24.074 -13.309 1.00 45.22 H new ATOM 1223 N GLU A 81 -3.603 -22.832 -10.633 1.00 33.53 N ATOM 1224 CA GLU A 81 -2.834 -21.832 -9.903 1.00 24.03 C ATOM 1225 C GLU A 81 -3.192 -21.845 -8.420 1.00 32.45 C ATOM 1226 O GLU A 81 -2.316 -21.911 -7.557 1.00 24.10 O ATOM 1227 CB GLU A 81 -3.082 -20.440 -10.486 1.00 40.52 C ATOM 1228 CG GLU A 81 -2.595 -20.283 -11.917 1.00 71.41 C ATOM 1229 CD GLU A 81 -2.171 -18.863 -12.237 1.00 72.24 C ATOM 1230 OE1 GLU A 81 -1.546 -18.221 -11.368 1.00 23.13 O ATOM 1231 OE2 GLU A 81 -2.465 -18.394 -13.357 1.00 3.14 O ATOM 0 H GLU A 81 -4.403 -22.459 -11.144 1.00 33.53 H new ATOM 0 HA GLU A 81 -1.777 -22.078 -10.006 1.00 24.03 H new ATOM 0 HB2 GLU A 81 -4.150 -20.225 -10.449 1.00 40.52 H new ATOM 0 HB3 GLU A 81 -2.586 -19.699 -9.859 1.00 40.52 H new ATOM 0 HG2 GLU A 81 -1.754 -20.956 -12.087 1.00 71.41 H new ATOM 0 HG3 GLU A 81 -3.388 -20.584 -12.602 1.00 71.41 H new ATOM 1238 N THR A 82 -4.488 -21.782 -8.129 1.00 50.13 N ATOM 1239 CA THR A 82 -4.964 -21.785 -6.752 1.00 2.32 C ATOM 1240 C THR A 82 -4.585 -23.079 -6.042 1.00 21.51 C ATOM 1241 O THR A 82 -4.245 -23.075 -4.859 1.00 11.44 O ATOM 1242 CB THR A 82 -6.492 -21.604 -6.685 1.00 31.21 C ATOM 1243 OG1 THR A 82 -6.985 -21.130 -7.943 1.00 1.21 O ATOM 1244 CG2 THR A 82 -6.874 -20.627 -5.584 1.00 2.53 C ATOM 0 H THR A 82 -5.227 -21.728 -8.830 1.00 50.13 H new ATOM 0 HA THR A 82 -4.484 -20.945 -6.250 1.00 2.32 H new ATOM 0 HB THR A 82 -6.940 -22.572 -6.461 1.00 31.21 H new ATOM 0 HG1 THR A 82 -7.957 -21.019 -7.893 1.00 1.21 H new ATOM 0 HG21 THR A 82 -7.958 -20.516 -5.556 1.00 2.53 H new ATOM 0 HG22 THR A 82 -6.523 -21.006 -4.624 1.00 2.53 H new ATOM 0 HG23 THR A 82 -6.415 -19.658 -5.782 1.00 2.53 H new ATOM 1252 N LYS A 83 -4.645 -24.188 -6.772 1.00 23.23 N ATOM 1253 CA LYS A 83 -4.306 -25.492 -6.213 1.00 41.31 C ATOM 1254 C LYS A 83 -2.801 -25.617 -5.999 1.00 61.42 C ATOM 1255 O LYS A 83 -2.349 -26.031 -4.932 1.00 63.53 O ATOM 1256 CB LYS A 83 -4.795 -26.609 -7.138 1.00 15.43 C ATOM 1257 CG LYS A 83 -6.282 -26.539 -7.441 1.00 71.21 C ATOM 1258 CD LYS A 83 -7.107 -27.179 -6.337 1.00 10.20 C ATOM 1259 CE LYS A 83 -8.589 -27.186 -6.681 1.00 4.21 C ATOM 1260 NZ LYS A 83 -8.906 -28.174 -7.749 1.00 25.23 N ATOM 0 H LYS A 83 -4.925 -24.210 -7.752 1.00 23.23 H new ATOM 0 HA LYS A 83 -4.802 -25.586 -5.247 1.00 41.31 H new ATOM 0 HB2 LYS A 83 -4.239 -26.563 -8.075 1.00 15.43 H new ATOM 0 HB3 LYS A 83 -4.571 -27.573 -6.681 1.00 15.43 H new ATOM 0 HG2 LYS A 83 -6.581 -25.498 -7.563 1.00 71.21 H new ATOM 0 HG3 LYS A 83 -6.486 -27.042 -8.387 1.00 71.21 H new ATOM 0 HD2 LYS A 83 -6.766 -28.201 -6.172 1.00 10.20 H new ATOM 0 HD3 LYS A 83 -6.951 -26.637 -5.404 1.00 10.20 H new ATOM 0 HE2 LYS A 83 -9.168 -27.419 -5.787 1.00 4.21 H new ATOM 0 HE3 LYS A 83 -8.891 -26.190 -7.006 1.00 4.21 H new ATOM 0 HZ1 LYS A 83 -9.936 -28.221 -7.884 1.00 25.23 H new ATOM 0 HZ2 LYS A 83 -8.454 -27.881 -8.638 1.00 25.23 H new ATOM 0 HZ3 LYS A 83 -8.550 -29.111 -7.472 1.00 25.23 H new ATOM 1274 N ALA A 84 -2.030 -25.256 -7.020 1.00 75.11 N ATOM 1275 CA ALA A 84 -0.577 -25.325 -6.942 1.00 24.41 C ATOM 1276 C ALA A 84 -0.030 -24.293 -5.962 1.00 43.32 C ATOM 1277 O ALA A 84 1.156 -24.304 -5.630 1.00 72.03 O ATOM 1278 CB ALA A 84 0.036 -25.125 -8.320 1.00 42.30 C ATOM 0 H ALA A 84 -2.389 -24.913 -7.911 1.00 75.11 H new ATOM 0 HA ALA A 84 -0.304 -26.315 -6.576 1.00 24.41 H new ATOM 0 HB1 ALA A 84 1.122 -25.179 -8.246 1.00 42.30 H new ATOM 0 HB2 ALA A 84 -0.321 -25.904 -8.994 1.00 42.30 H new ATOM 0 HB3 ALA A 84 -0.253 -24.149 -8.709 1.00 42.30 H new ATOM 1284 N PHE A 85 -0.901 -23.400 -5.503 1.00 23.31 N ATOM 1285 CA PHE A 85 -0.504 -22.359 -4.562 1.00 72.10 C ATOM 1286 C PHE A 85 -0.975 -22.694 -3.150 1.00 32.12 C ATOM 1287 O PHE A 85 -0.209 -22.603 -2.189 1.00 52.25 O ATOM 1288 CB PHE A 85 -1.075 -21.007 -4.995 1.00 3.13 C ATOM 1289 CG PHE A 85 -0.528 -19.847 -4.212 1.00 31.41 C ATOM 1290 CD1 PHE A 85 0.742 -19.357 -4.470 1.00 73.13 C ATOM 1291 CD2 PHE A 85 -1.284 -19.248 -3.217 1.00 70.32 C ATOM 1292 CE1 PHE A 85 1.248 -18.290 -3.752 1.00 54.00 C ATOM 1293 CE2 PHE A 85 -0.784 -18.181 -2.496 1.00 44.30 C ATOM 1294 CZ PHE A 85 0.484 -17.702 -2.763 1.00 2.21 C ATOM 0 H PHE A 85 -1.886 -23.376 -5.767 1.00 23.31 H new ATOM 0 HA PHE A 85 0.585 -22.302 -4.559 1.00 72.10 H new ATOM 0 HB2 PHE A 85 -0.862 -20.854 -6.053 1.00 3.13 H new ATOM 0 HB3 PHE A 85 -2.160 -21.028 -4.888 1.00 3.13 H new ATOM 0 HD1 PHE A 85 1.344 -19.814 -5.241 1.00 73.13 H new ATOM 0 HD2 PHE A 85 -2.275 -19.620 -3.003 1.00 70.32 H new ATOM 0 HE1 PHE A 85 2.239 -17.917 -3.964 1.00 54.00 H new ATOM 0 HE2 PHE A 85 -1.384 -17.722 -1.724 1.00 44.30 H new ATOM 0 HZ PHE A 85 0.877 -16.869 -2.199 1.00 2.21 H new ATOM 1304 N LEU A 86 -2.240 -23.082 -3.031 1.00 52.31 N ATOM 1305 CA LEU A 86 -2.815 -23.430 -1.737 1.00 33.35 C ATOM 1306 C LEU A 86 -2.184 -24.705 -1.186 1.00 34.21 C ATOM 1307 O LEU A 86 -1.672 -24.723 -0.067 1.00 53.11 O ATOM 1308 CB LEU A 86 -4.329 -23.609 -1.861 1.00 34.44 C ATOM 1309 CG LEU A 86 -5.143 -23.346 -0.593 1.00 25.14 C ATOM 1310 CD1 LEU A 86 -6.551 -22.893 -0.946 1.00 24.10 C ATOM 1311 CD2 LEU A 86 -5.184 -24.591 0.282 1.00 13.52 C ATOM 0 H LEU A 86 -2.887 -23.163 -3.815 1.00 52.31 H new ATOM 0 HA LEU A 86 -2.607 -22.615 -1.044 1.00 33.35 H new ATOM 0 HB2 LEU A 86 -4.690 -22.943 -2.645 1.00 34.44 H new ATOM 0 HB3 LEU A 86 -4.528 -24.628 -2.191 1.00 34.44 H new ATOM 0 HG LEU A 86 -4.658 -22.548 -0.032 1.00 25.14 H new ATOM 0 HD11 LEU A 86 -7.115 -22.711 -0.031 1.00 24.10 H new ATOM 0 HD12 LEU A 86 -6.502 -21.975 -1.531 1.00 24.10 H new ATOM 0 HD13 LEU A 86 -7.047 -23.669 -1.530 1.00 24.10 H new ATOM 0 HD21 LEU A 86 -5.767 -24.386 1.180 1.00 13.52 H new ATOM 0 HD22 LEU A 86 -5.645 -25.409 -0.271 1.00 13.52 H new ATOM 0 HD23 LEU A 86 -4.169 -24.871 0.565 1.00 13.52 H new ATOM 1323 N ALA A 87 -2.224 -25.770 -1.981 1.00 5.42 N ATOM 1324 CA ALA A 87 -1.652 -27.048 -1.575 1.00 0.42 C ATOM 1325 C ALA A 87 -0.138 -26.947 -1.419 1.00 73.43 C ATOM 1326 O ALA A 87 0.496 -27.832 -0.846 1.00 21.13 O ATOM 1327 CB ALA A 87 -2.011 -28.130 -2.582 1.00 45.13 C ATOM 0 H ALA A 87 -2.646 -25.773 -2.909 1.00 5.42 H new ATOM 0 HA ALA A 87 -2.073 -27.316 -0.606 1.00 0.42 H new ATOM 0 HB1 ALA A 87 -1.577 -29.079 -2.266 1.00 45.13 H new ATOM 0 HB2 ALA A 87 -3.095 -28.228 -2.640 1.00 45.13 H new ATOM 0 HB3 ALA A 87 -1.618 -27.860 -3.562 1.00 45.13 H new ATOM 1333 N ALA A 88 0.434 -25.864 -1.935 1.00 24.53 N ATOM 1334 CA ALA A 88 1.874 -25.649 -1.852 1.00 15.44 C ATOM 1335 C ALA A 88 2.223 -24.719 -0.694 1.00 64.51 C ATOM 1336 O ALA A 88 3.310 -24.805 -0.124 1.00 10.44 O ATOM 1337 CB ALA A 88 2.399 -25.083 -3.163 1.00 12.54 C ATOM 0 H ALA A 88 -0.077 -25.123 -2.414 1.00 24.53 H new ATOM 0 HA ALA A 88 2.351 -26.612 -1.668 1.00 15.44 H new ATOM 0 HB1 ALA A 88 3.475 -24.927 -3.087 1.00 12.54 H new ATOM 0 HB2 ALA A 88 2.190 -25.784 -3.971 1.00 12.54 H new ATOM 0 HB3 ALA A 88 1.909 -24.132 -3.371 1.00 12.54 H new ATOM 1343 N GLY A 89 1.295 -23.831 -0.353 1.00 33.24 N ATOM 1344 CA GLY A 89 1.525 -22.898 0.735 1.00 71.21 C ATOM 1345 C GLY A 89 0.958 -23.391 2.052 1.00 64.34 C ATOM 1346 O GLY A 89 1.692 -23.564 3.025 1.00 61.41 O ATOM 0 H GLY A 89 0.388 -23.741 -0.810 1.00 33.24 H new ATOM 0 HA2 GLY A 89 2.596 -22.730 0.845 1.00 71.21 H new ATOM 0 HA3 GLY A 89 1.075 -21.937 0.486 1.00 71.21 H new ATOM 1350 N ASP A 90 -0.350 -23.617 2.083 1.00 14.52 N ATOM 1351 CA ASP A 90 -1.015 -24.092 3.291 1.00 75.12 C ATOM 1352 C ASP A 90 -0.301 -25.314 3.859 1.00 32.40 C ATOM 1353 O ASP A 90 -0.450 -26.426 3.351 1.00 31.53 O ATOM 1354 CB ASP A 90 -2.477 -24.432 2.994 1.00 62.24 C ATOM 1355 CG ASP A 90 -3.089 -25.329 4.052 1.00 52.24 C ATOM 1356 OD1 ASP A 90 -2.898 -25.045 5.253 1.00 33.40 O ATOM 1357 OD2 ASP A 90 -3.760 -26.313 3.678 1.00 31.54 O ATOM 0 H ASP A 90 -0.971 -23.479 1.286 1.00 14.52 H new ATOM 0 HA ASP A 90 -0.979 -23.295 4.033 1.00 75.12 H new ATOM 0 HB2 ASP A 90 -3.055 -23.510 2.925 1.00 62.24 H new ATOM 0 HB3 ASP A 90 -2.543 -24.923 2.023 1.00 62.24 H new ATOM 1362 N THR A 91 0.477 -25.101 4.916 1.00 54.11 N ATOM 1363 CA THR A 91 1.216 -26.184 5.552 1.00 50.10 C ATOM 1364 C THR A 91 0.921 -26.247 7.046 1.00 25.23 C ATOM 1365 O THR A 91 0.653 -27.318 7.591 1.00 71.21 O ATOM 1366 CB THR A 91 2.734 -26.025 5.346 1.00 41.42 C ATOM 1367 OG1 THR A 91 3.149 -24.716 5.753 1.00 22.13 O ATOM 1368 CG2 THR A 91 3.109 -26.250 3.889 1.00 71.22 C ATOM 0 H THR A 91 0.611 -24.188 5.350 1.00 54.11 H new ATOM 0 HA THR A 91 0.888 -27.110 5.080 1.00 50.10 H new ATOM 0 HB THR A 91 3.241 -26.773 5.955 1.00 41.42 H new ATOM 0 HG1 THR A 91 4.116 -24.623 5.620 1.00 22.13 H new ATOM 0 HG21 THR A 91 4.186 -26.132 3.768 1.00 71.22 H new ATOM 0 HG22 THR A 91 2.818 -27.257 3.590 1.00 71.22 H new ATOM 0 HG23 THR A 91 2.592 -25.522 3.264 1.00 71.22 H new ATOM 1407 N GLY A 95 -6.233 -25.494 5.019 1.00 2.02 N ATOM 1408 CA GLY A 95 -6.837 -24.960 3.813 1.00 51.51 C ATOM 1409 C GLY A 95 -6.541 -23.486 3.620 1.00 44.41 C ATOM 1410 O GLY A 95 -6.669 -22.958 2.515 1.00 52.20 O ATOM 0 HA2 GLY A 95 -6.472 -25.517 2.950 1.00 51.51 H new ATOM 0 HA3 GLY A 95 -7.916 -25.108 3.854 1.00 51.51 H new ATOM 1414 N LYS A 96 -6.144 -22.817 4.698 1.00 61.53 N ATOM 1415 CA LYS A 96 -5.828 -21.395 4.644 1.00 54.03 C ATOM 1416 C LYS A 96 -4.320 -21.173 4.612 1.00 24.12 C ATOM 1417 O LYS A 96 -3.541 -22.116 4.760 1.00 12.34 O ATOM 1418 CB LYS A 96 -6.436 -20.671 5.847 1.00 12.30 C ATOM 1419 CG LYS A 96 -7.913 -20.961 6.049 1.00 14.30 C ATOM 1420 CD LYS A 96 -8.384 -20.525 7.427 1.00 62.14 C ATOM 1421 CE LYS A 96 -8.792 -21.717 8.279 1.00 41.02 C ATOM 1422 NZ LYS A 96 -10.140 -22.229 7.907 1.00 21.10 N ATOM 0 H LYS A 96 -6.034 -23.238 5.620 1.00 61.53 H new ATOM 0 HA LYS A 96 -6.256 -20.988 3.728 1.00 54.03 H new ATOM 0 HB2 LYS A 96 -5.892 -20.958 6.747 1.00 12.30 H new ATOM 0 HB3 LYS A 96 -6.299 -19.597 5.721 1.00 12.30 H new ATOM 0 HG2 LYS A 96 -8.494 -20.445 5.285 1.00 14.30 H new ATOM 0 HG3 LYS A 96 -8.096 -22.028 5.922 1.00 14.30 H new ATOM 0 HD2 LYS A 96 -7.588 -19.974 7.928 1.00 62.14 H new ATOM 0 HD3 LYS A 96 -9.228 -19.843 7.325 1.00 62.14 H new ATOM 0 HE2 LYS A 96 -8.057 -22.514 8.165 1.00 41.02 H new ATOM 0 HE3 LYS A 96 -8.790 -21.430 9.330 1.00 41.02 H new ATOM 0 HZ1 LYS A 96 -10.382 -23.041 8.510 1.00 21.10 H new ATOM 0 HZ2 LYS A 96 -10.846 -21.477 8.040 1.00 21.10 H new ATOM 0 HZ3 LYS A 96 -10.135 -22.527 6.911 1.00 21.10 H new ATOM 1436 N ILE A 97 -3.914 -19.922 4.420 1.00 30.51 N ATOM 1437 CA ILE A 97 -2.499 -19.578 4.372 1.00 5.22 C ATOM 1438 C ILE A 97 -2.232 -18.249 5.071 1.00 15.20 C ATOM 1439 O ILE A 97 -2.800 -17.220 4.707 1.00 0.34 O ATOM 1440 CB ILE A 97 -1.988 -19.493 2.922 1.00 74.45 C ATOM 1441 CG1 ILE A 97 -2.052 -20.869 2.255 1.00 52.15 C ATOM 1442 CG2 ILE A 97 -0.568 -18.949 2.890 1.00 11.04 C ATOM 1443 CD1 ILE A 97 -1.538 -20.875 0.832 1.00 55.02 C ATOM 0 H ILE A 97 -4.545 -19.131 4.295 1.00 30.51 H new ATOM 0 HA ILE A 97 -1.964 -20.373 4.891 1.00 5.22 H new ATOM 0 HB ILE A 97 -2.630 -18.809 2.366 1.00 74.45 H new ATOM 0 HG12 ILE A 97 -1.471 -21.577 2.846 1.00 52.15 H new ATOM 0 HG13 ILE A 97 -3.084 -21.219 2.261 1.00 52.15 H new ATOM 0 HG21 ILE A 97 -0.222 -18.895 1.858 1.00 11.04 H new ATOM 0 HG22 ILE A 97 -0.550 -17.952 3.331 1.00 11.04 H new ATOM 0 HG23 ILE A 97 0.087 -19.609 3.458 1.00 11.04 H new ATOM 0 HD11 ILE A 97 -1.613 -21.882 0.422 1.00 55.02 H new ATOM 0 HD12 ILE A 97 -2.134 -20.192 0.227 1.00 55.02 H new ATOM 0 HD13 ILE A 97 -0.496 -20.555 0.820 1.00 55.02 H new ATOM 1455 N GLY A 98 -1.363 -18.279 6.077 1.00 41.44 N ATOM 1456 CA GLY A 98 -1.035 -17.070 6.810 1.00 41.14 C ATOM 1457 C GLY A 98 0.251 -16.430 6.327 1.00 44.25 C ATOM 1458 O GLY A 98 0.337 -15.976 5.185 1.00 1.35 O ATOM 0 H GLY A 98 -0.881 -19.119 6.397 1.00 41.44 H new ATOM 0 HA2 GLY A 98 -1.852 -16.356 6.711 1.00 41.14 H new ATOM 0 HA3 GLY A 98 -0.944 -17.305 7.870 1.00 41.14 H new ATOM 1462 N VAL A 99 1.255 -16.392 7.197 1.00 1.43 N ATOM 1463 CA VAL A 99 2.543 -15.802 6.854 1.00 44.34 C ATOM 1464 C VAL A 99 3.634 -16.865 6.788 1.00 44.55 C ATOM 1465 O VAL A 99 4.310 -17.011 5.770 1.00 44.01 O ATOM 1466 CB VAL A 99 2.955 -14.721 7.871 1.00 23.31 C ATOM 1467 CG1 VAL A 99 2.874 -13.338 7.244 1.00 65.13 C ATOM 1468 CG2 VAL A 99 2.085 -14.803 9.116 1.00 52.10 C ATOM 0 H VAL A 99 1.201 -16.763 8.145 1.00 1.43 H new ATOM 0 HA VAL A 99 2.429 -15.341 5.873 1.00 44.34 H new ATOM 0 HB VAL A 99 3.989 -14.899 8.165 1.00 23.31 H new ATOM 0 HG11 VAL A 99 3.169 -12.588 7.978 1.00 65.13 H new ATOM 0 HG12 VAL A 99 3.543 -13.288 6.385 1.00 65.13 H new ATOM 0 HG13 VAL A 99 1.852 -13.145 6.919 1.00 65.13 H new ATOM 0 HG21 VAL A 99 2.390 -14.032 9.824 1.00 52.10 H new ATOM 0 HG22 VAL A 99 1.041 -14.651 8.841 1.00 52.10 H new ATOM 0 HG23 VAL A 99 2.200 -15.784 9.576 1.00 52.10 H new ATOM 1478 N GLU A 100 3.799 -17.604 7.880 1.00 64.12 N ATOM 1479 CA GLU A 100 4.809 -18.654 7.945 1.00 4.12 C ATOM 1480 C GLU A 100 4.612 -19.670 6.824 1.00 52.54 C ATOM 1481 O GLU A 100 5.556 -20.339 6.406 1.00 31.21 O ATOM 1482 CB GLU A 100 4.756 -19.359 9.302 1.00 65.30 C ATOM 1483 CG GLU A 100 5.962 -19.077 10.182 1.00 25.11 C ATOM 1484 CD GLU A 100 6.303 -20.239 11.095 1.00 1.00 C ATOM 1485 OE1 GLU A 100 5.934 -21.384 10.762 1.00 60.34 O ATOM 1486 OE2 GLU A 100 6.939 -20.002 12.143 1.00 25.23 O ATOM 0 H GLU A 100 3.247 -17.496 8.731 1.00 64.12 H new ATOM 0 HA GLU A 100 5.787 -18.189 7.822 1.00 4.12 H new ATOM 0 HB2 GLU A 100 3.853 -19.049 9.828 1.00 65.30 H new ATOM 0 HB3 GLU A 100 4.678 -20.434 9.141 1.00 65.30 H new ATOM 0 HG2 GLU A 100 6.822 -18.851 9.552 1.00 25.11 H new ATOM 0 HG3 GLU A 100 5.767 -18.191 10.786 1.00 25.11 H new ATOM 1493 N GLU A 101 3.378 -19.778 6.341 1.00 14.55 N ATOM 1494 CA GLU A 101 3.056 -20.712 5.270 1.00 61.34 C ATOM 1495 C GLU A 101 3.136 -20.027 3.908 1.00 30.42 C ATOM 1496 O GLU A 101 3.110 -20.685 2.868 1.00 54.24 O ATOM 1497 CB GLU A 101 1.658 -21.299 5.476 1.00 10.34 C ATOM 1498 CG GLU A 101 1.376 -21.709 6.912 1.00 3.11 C ATOM 1499 CD GLU A 101 -0.051 -22.178 7.115 1.00 31.53 C ATOM 1500 OE1 GLU A 101 -0.561 -22.918 6.248 1.00 63.33 O ATOM 1501 OE2 GLU A 101 -0.658 -21.806 8.141 1.00 74.41 O ATOM 0 H GLU A 101 2.585 -19.230 6.675 1.00 14.55 H new ATOM 0 HA GLU A 101 3.788 -21.519 5.296 1.00 61.34 H new ATOM 0 HB2 GLU A 101 0.915 -20.565 5.164 1.00 10.34 H new ATOM 0 HB3 GLU A 101 1.539 -22.168 4.829 1.00 10.34 H new ATOM 0 HG2 GLU A 101 2.061 -22.507 7.199 1.00 3.11 H new ATOM 0 HG3 GLU A 101 1.575 -20.865 7.573 1.00 3.11 H new ATOM 1508 N PHE A 102 3.233 -18.702 3.924 1.00 22.21 N ATOM 1509 CA PHE A 102 3.315 -17.927 2.692 1.00 43.13 C ATOM 1510 C PHE A 102 4.769 -17.658 2.314 1.00 61.41 C ATOM 1511 O PHE A 102 5.209 -18.000 1.216 1.00 34.25 O ATOM 1512 CB PHE A 102 2.564 -16.603 2.846 1.00 72.00 C ATOM 1513 CG PHE A 102 2.594 -15.749 1.611 1.00 70.13 C ATOM 1514 CD1 PHE A 102 3.627 -14.851 1.399 1.00 42.52 C ATOM 1515 CD2 PHE A 102 1.590 -15.845 0.661 1.00 35.42 C ATOM 1516 CE1 PHE A 102 3.657 -14.063 0.263 1.00 33.13 C ATOM 1517 CE2 PHE A 102 1.614 -15.061 -0.476 1.00 50.25 C ATOM 1518 CZ PHE A 102 2.650 -14.169 -0.676 1.00 74.30 C ATOM 0 H PHE A 102 3.257 -18.143 4.777 1.00 22.21 H new ATOM 0 HA PHE A 102 2.852 -18.509 1.895 1.00 43.13 H new ATOM 0 HB2 PHE A 102 1.527 -16.811 3.109 1.00 72.00 H new ATOM 0 HB3 PHE A 102 2.997 -16.044 3.675 1.00 72.00 H new ATOM 0 HD1 PHE A 102 4.418 -14.765 2.129 1.00 42.52 H new ATOM 0 HD2 PHE A 102 0.778 -16.542 0.811 1.00 35.42 H new ATOM 0 HE1 PHE A 102 4.467 -13.365 0.110 1.00 33.13 H new ATOM 0 HE2 PHE A 102 0.824 -15.145 -1.208 1.00 50.25 H new ATOM 0 HZ PHE A 102 2.672 -13.556 -1.565 1.00 74.30 H new ATOM 1528 N GLN A 103 5.509 -17.044 3.231 1.00 12.23 N ATOM 1529 CA GLN A 103 6.912 -16.728 2.994 1.00 24.11 C ATOM 1530 C GLN A 103 7.738 -18.001 2.840 1.00 22.05 C ATOM 1531 O GLN A 103 8.804 -17.991 2.225 1.00 41.42 O ATOM 1532 CB GLN A 103 7.467 -15.881 4.141 1.00 64.32 C ATOM 1533 CG GLN A 103 7.494 -16.608 5.476 1.00 41.41 C ATOM 1534 CD GLN A 103 8.550 -16.061 6.417 1.00 72.24 C ATOM 1535 OE1 GLN A 103 9.744 -16.100 6.118 1.00 52.20 O ATOM 1536 NE2 GLN A 103 8.115 -15.548 7.561 1.00 14.42 N ATOM 0 H GLN A 103 5.160 -16.755 4.145 1.00 12.23 H new ATOM 0 HA GLN A 103 6.979 -16.159 2.067 1.00 24.11 H new ATOM 0 HB2 GLN A 103 8.479 -15.562 3.890 1.00 64.32 H new ATOM 0 HB3 GLN A 103 6.864 -14.979 4.240 1.00 64.32 H new ATOM 0 HG2 GLN A 103 6.515 -16.528 5.949 1.00 41.41 H new ATOM 0 HG3 GLN A 103 7.680 -17.668 5.304 1.00 41.41 H new ATOM 0 HE21 GLN A 103 7.116 -15.536 7.768 1.00 14.42 H new ATOM 0 HE22 GLN A 103 8.779 -15.165 8.234 1.00 14.42 H new ATOM 1545 N SER A 104 7.239 -19.096 3.405 1.00 60.24 N ATOM 1546 CA SER A 104 7.933 -20.377 3.334 1.00 51.32 C ATOM 1547 C SER A 104 7.808 -20.986 1.941 1.00 70.03 C ATOM 1548 O SER A 104 8.494 -21.954 1.610 1.00 73.41 O ATOM 1549 CB SER A 104 7.371 -21.344 4.378 1.00 41.40 C ATOM 1550 OG SER A 104 7.927 -22.638 4.225 1.00 33.23 O ATOM 0 H SER A 104 6.357 -19.122 3.917 1.00 60.24 H new ATOM 0 HA SER A 104 8.989 -20.202 3.542 1.00 51.32 H new ATOM 0 HB2 SER A 104 7.585 -20.969 5.379 1.00 41.40 H new ATOM 0 HB3 SER A 104 6.286 -21.397 4.283 1.00 41.40 H new ATOM 0 HG SER A 104 8.260 -22.745 3.309 1.00 33.23 H new ATOM 1556 N LEU A 105 6.928 -20.412 1.128 1.00 71.22 N ATOM 1557 CA LEU A 105 6.711 -20.897 -0.231 1.00 25.52 C ATOM 1558 C LEU A 105 7.404 -19.996 -1.248 1.00 24.22 C ATOM 1559 O LEU A 105 8.070 -20.475 -2.166 1.00 73.41 O ATOM 1560 CB LEU A 105 5.214 -20.971 -0.535 1.00 21.44 C ATOM 1561 CG LEU A 105 4.838 -21.385 -1.958 1.00 15.42 C ATOM 1562 CD1 LEU A 105 3.465 -22.039 -1.978 1.00 62.51 C ATOM 1563 CD2 LEU A 105 4.870 -20.181 -2.889 1.00 21.22 C ATOM 0 H LEU A 105 6.353 -19.610 1.386 1.00 71.22 H new ATOM 0 HA LEU A 105 7.140 -21.896 -0.306 1.00 25.52 H new ATOM 0 HB2 LEU A 105 4.757 -21.676 0.160 1.00 21.44 H new ATOM 0 HB3 LEU A 105 4.774 -19.994 -0.334 1.00 21.44 H new ATOM 0 HG LEU A 105 5.570 -22.112 -2.310 1.00 15.42 H new ATOM 0 HD11 LEU A 105 3.214 -22.327 -2.999 1.00 62.51 H new ATOM 0 HD12 LEU A 105 3.475 -22.925 -1.343 1.00 62.51 H new ATOM 0 HD13 LEU A 105 2.721 -21.334 -1.607 1.00 62.51 H new ATOM 0 HD21 LEU A 105 4.600 -20.494 -3.898 1.00 21.22 H new ATOM 0 HD22 LEU A 105 4.160 -19.432 -2.539 1.00 21.22 H new ATOM 0 HD23 LEU A 105 5.873 -19.754 -2.898 1.00 21.22 H new ATOM 1575 N VAL A 106 7.245 -18.688 -1.076 1.00 45.43 N ATOM 1576 CA VAL A 106 7.858 -17.719 -1.977 1.00 4.40 C ATOM 1577 C VAL A 106 9.379 -17.818 -1.939 1.00 22.13 C ATOM 1578 O VAL A 106 10.021 -18.091 -2.954 1.00 14.13 O ATOM 1579 CB VAL A 106 7.440 -16.279 -1.622 1.00 31.41 C ATOM 1580 CG1 VAL A 106 8.356 -15.274 -2.302 1.00 41.40 C ATOM 1581 CG2 VAL A 106 5.989 -16.037 -2.007 1.00 55.42 C ATOM 0 H VAL A 106 6.697 -18.275 -0.321 1.00 45.43 H new ATOM 0 HA VAL A 106 7.506 -17.955 -2.981 1.00 4.40 H new ATOM 0 HB VAL A 106 7.533 -16.147 -0.544 1.00 31.41 H new ATOM 0 HG11 VAL A 106 8.045 -14.263 -2.040 1.00 41.40 H new ATOM 0 HG12 VAL A 106 9.382 -15.435 -1.972 1.00 41.40 H new ATOM 0 HG13 VAL A 106 8.298 -15.402 -3.383 1.00 41.40 H new ATOM 0 HG21 VAL A 106 5.710 -15.015 -1.750 1.00 55.42 H new ATOM 0 HG22 VAL A 106 5.867 -16.187 -3.080 1.00 55.42 H new ATOM 0 HG23 VAL A 106 5.348 -16.735 -1.468 1.00 55.42 H new ATOM 1591 N LYS A 107 9.952 -17.596 -0.761 1.00 14.45 N ATOM 1592 CA LYS A 107 11.398 -17.662 -0.587 1.00 51.44 C ATOM 1593 C LYS A 107 11.924 -19.052 -0.928 1.00 72.24 C ATOM 1594 O LYS A 107 13.117 -19.233 -1.168 1.00 41.03 O ATOM 1595 CB LYS A 107 11.777 -17.300 0.850 1.00 1.24 C ATOM 1596 CG LYS A 107 11.759 -18.484 1.801 1.00 71.53 C ATOM 1597 CD LYS A 107 12.024 -18.054 3.234 1.00 74.03 C ATOM 1598 CE LYS A 107 13.485 -17.690 3.445 1.00 1.14 C ATOM 1599 NZ LYS A 107 14.129 -18.556 4.471 1.00 5.35 N ATOM 0 H LYS A 107 9.436 -17.368 0.089 1.00 14.45 H new ATOM 0 HA LYS A 107 11.854 -16.943 -1.268 1.00 51.44 H new ATOM 0 HB2 LYS A 107 12.773 -16.857 0.853 1.00 1.24 H new ATOM 0 HB3 LYS A 107 11.089 -16.539 1.218 1.00 1.24 H new ATOM 0 HG2 LYS A 107 10.792 -18.983 1.743 1.00 71.53 H new ATOM 0 HG3 LYS A 107 12.511 -19.210 1.493 1.00 71.53 H new ATOM 0 HD2 LYS A 107 11.395 -17.198 3.480 1.00 74.03 H new ATOM 0 HD3 LYS A 107 11.747 -18.860 3.914 1.00 74.03 H new ATOM 0 HE2 LYS A 107 14.023 -17.783 2.501 1.00 1.14 H new ATOM 0 HE3 LYS A 107 13.559 -16.647 3.752 1.00 1.14 H new ATOM 0 HZ1 LYS A 107 15.124 -18.277 4.586 1.00 5.35 H new ATOM 0 HZ2 LYS A 107 13.632 -18.448 5.378 1.00 5.35 H new ATOM 0 HZ3 LYS A 107 14.081 -19.549 4.166 1.00 5.35 H new ATOM 1613 N ALA A 108 11.025 -20.031 -0.949 1.00 61.03 N ATOM 1614 CA ALA A 108 11.399 -21.404 -1.265 1.00 35.33 C ATOM 1615 C ALA A 108 11.207 -21.698 -2.749 1.00 21.33 C ATOM 1616 O ALA A 108 11.969 -22.462 -3.343 1.00 51.12 O ATOM 1617 CB ALA A 108 10.588 -22.378 -0.423 1.00 34.32 C ATOM 0 H ALA A 108 10.033 -19.899 -0.751 1.00 61.03 H new ATOM 0 HA ALA A 108 12.456 -21.530 -1.031 1.00 35.33 H new ATOM 0 HB1 ALA A 108 10.877 -23.400 -0.669 1.00 34.32 H new ATOM 0 HB2 ALA A 108 10.778 -22.191 0.634 1.00 34.32 H new ATOM 0 HB3 ALA A 108 9.527 -22.242 -0.630 1.00 34.32 H new