USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=19 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+ 169:sc= -0.0374 (180deg=-0.235) USER MOD Single : A 13 SER OG : rot -44:sc= 0.108 USER MOD Single : A 32 THR OG1 : rot 19:sc= 0.657 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -120:sc= 0.244 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 42 GLN : amide:sc= -0.202 K(o=-0.2,f=-3.7!) 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= -1.84 X(o=-1.8,f=-1.8) USER MOD Single : A 64 GLN : amide:sc= 0.0508 X(o=0.051,f=-0.16) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.5) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 79 SER OG : rot 62:sc= 0.367 USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -74:sc= 0.0205 USER MOD Single : A 96 LYS NZ :NH3+ -145:sc= 0.411 (180deg=0.0264) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot -27:sc= 0.138 USER MOD Single : A 107 LYS NZ :NH3+ -165:sc= -0.0646 (180deg=-0.387) USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 1.780 -2.579 -3.864 1.00 33.14 N ATOM 12 CA ILE A 2 2.790 -3.605 -3.639 1.00 22.20 C ATOM 13 C ILE A 2 4.167 -3.129 -4.090 1.00 10.14 C ATOM 14 O ILE A 2 5.192 -3.615 -3.612 1.00 24.44 O ATOM 15 CB ILE A 2 2.443 -4.910 -4.380 1.00 54.44 C ATOM 16 CG1 ILE A 2 3.559 -5.939 -4.197 1.00 24.31 C ATOM 17 CG2 ILE A 2 2.208 -4.633 -5.858 1.00 14.42 C ATOM 18 CD1 ILE A 2 3.927 -6.180 -2.750 1.00 22.44 C ATOM 0 HA ILE A 2 2.808 -3.800 -2.567 1.00 22.20 H new ATOM 0 HB ILE A 2 1.526 -5.318 -3.956 1.00 54.44 H new ATOM 0 HG12 ILE A 2 3.250 -6.882 -4.647 1.00 24.31 H new ATOM 0 HG13 ILE A 2 4.444 -5.603 -4.738 1.00 24.31 H new ATOM 0 HG21 ILE A 2 1.964 -5.565 -6.368 1.00 14.42 H new ATOM 0 HG22 ILE A 2 1.382 -3.931 -5.970 1.00 14.42 H new ATOM 0 HG23 ILE A 2 3.110 -4.205 -6.296 1.00 14.42 H new ATOM 0 HD11 ILE A 2 4.725 -6.921 -2.696 1.00 22.44 H new ATOM 0 HD12 ILE A 2 4.267 -5.247 -2.301 1.00 22.44 H new ATOM 0 HD13 ILE A 2 3.055 -6.546 -2.209 1.00 22.44 H new ATOM 30 N THR A 3 4.183 -2.172 -5.013 1.00 24.14 N ATOM 31 CA THR A 3 5.434 -1.629 -5.528 1.00 14.42 C ATOM 32 C THR A 3 6.324 -1.129 -4.396 1.00 13.42 C ATOM 33 O THR A 3 7.544 -1.055 -4.539 1.00 43.04 O ATOM 34 CB THR A 3 5.180 -0.473 -6.514 1.00 74.35 C ATOM 35 OG1 THR A 3 4.487 0.592 -5.854 1.00 33.41 O ATOM 36 CG2 THR A 3 4.367 -0.950 -7.709 1.00 32.34 C ATOM 0 H THR A 3 3.344 -1.757 -5.419 1.00 24.14 H new ATOM 0 HA THR A 3 5.939 -2.441 -6.052 1.00 14.42 H new ATOM 0 HB THR A 3 6.144 -0.111 -6.871 1.00 74.35 H new ATOM 0 HG1 THR A 3 4.331 1.323 -6.488 1.00 33.41 H new ATOM 0 HG21 THR A 3 4.200 -0.117 -8.391 1.00 32.34 H new ATOM 0 HG22 THR A 3 4.911 -1.740 -8.227 1.00 32.34 H new ATOM 0 HG23 THR A 3 3.407 -1.335 -7.365 1.00 32.34 H new ATOM 44 N ASP A 4 5.706 -0.787 -3.271 1.00 12.23 N ATOM 45 CA ASP A 4 6.443 -0.295 -2.112 1.00 60.14 C ATOM 46 C ASP A 4 7.414 -1.353 -1.597 1.00 51.01 C ATOM 47 O ASP A 4 8.399 -1.033 -0.931 1.00 61.33 O ATOM 48 CB ASP A 4 5.475 0.112 -1.000 1.00 62.32 C ATOM 49 CG ASP A 4 5.712 1.529 -0.517 1.00 13.03 C ATOM 50 OD1 ASP A 4 6.534 1.712 0.406 1.00 55.22 O ATOM 51 OD2 ASP A 4 5.076 2.455 -1.061 1.00 54.15 O ATOM 0 H ASP A 4 4.696 -0.841 -3.137 1.00 12.23 H new ATOM 0 HA ASP A 4 7.016 0.579 -2.421 1.00 60.14 H new ATOM 0 HB2 ASP A 4 4.451 0.021 -1.362 1.00 62.32 H new ATOM 0 HB3 ASP A 4 5.579 -0.577 -0.162 1.00 62.32 H new ATOM 56 N ILE A 5 7.128 -2.613 -1.909 1.00 2.34 N ATOM 57 CA ILE A 5 7.976 -3.717 -1.477 1.00 1.10 C ATOM 58 C ILE A 5 8.735 -4.320 -2.654 1.00 73.32 C ATOM 59 O ILE A 5 9.958 -4.459 -2.613 1.00 50.14 O ATOM 60 CB ILE A 5 7.154 -4.823 -0.790 1.00 13.14 C ATOM 61 CG1 ILE A 5 5.913 -4.226 -0.122 1.00 2.21 C ATOM 62 CG2 ILE A 5 8.007 -5.561 0.230 1.00 24.34 C ATOM 63 CD1 ILE A 5 6.234 -3.195 0.937 1.00 3.15 C ATOM 0 H ILE A 5 6.316 -2.894 -2.459 1.00 2.34 H new ATOM 0 HA ILE A 5 8.688 -3.307 -0.761 1.00 1.10 H new ATOM 0 HB ILE A 5 6.829 -5.537 -1.547 1.00 13.14 H new ATOM 0 HG12 ILE A 5 5.285 -3.767 -0.885 1.00 2.21 H new ATOM 0 HG13 ILE A 5 5.331 -5.030 0.329 1.00 2.21 H new ATOM 0 HG21 ILE A 5 7.412 -6.340 0.707 1.00 24.34 H new ATOM 0 HG22 ILE A 5 8.863 -6.014 -0.271 1.00 24.34 H new ATOM 0 HG23 ILE A 5 8.359 -4.859 0.986 1.00 24.34 H new ATOM 0 HD11 ILE A 5 5.308 -2.815 1.367 1.00 3.15 H new ATOM 0 HD12 ILE A 5 6.837 -3.654 1.721 1.00 3.15 H new ATOM 0 HD13 ILE A 5 6.789 -2.372 0.487 1.00 3.15 H new ATOM 75 N LEU A 6 8.002 -4.676 -3.703 1.00 74.13 N ATOM 76 CA LEU A 6 8.605 -5.263 -4.895 1.00 20.34 C ATOM 77 C LEU A 6 8.983 -4.183 -5.902 1.00 44.44 C ATOM 78 O LEU A 6 8.872 -2.990 -5.620 1.00 13.22 O ATOM 79 CB LEU A 6 7.642 -6.262 -5.538 1.00 62.44 C ATOM 80 CG LEU A 6 7.886 -7.736 -5.211 1.00 64.05 C ATOM 81 CD1 LEU A 6 8.245 -7.905 -3.743 1.00 50.32 C ATOM 82 CD2 LEU A 6 6.663 -8.570 -5.563 1.00 21.21 C ATOM 0 H LEU A 6 6.989 -4.569 -3.753 1.00 74.13 H new ATOM 0 HA LEU A 6 9.513 -5.786 -4.593 1.00 20.34 H new ATOM 0 HB2 LEU A 6 6.627 -6.006 -5.233 1.00 62.44 H new ATOM 0 HB3 LEU A 6 7.690 -6.138 -6.620 1.00 62.44 H new ATOM 0 HG LEU A 6 8.725 -8.087 -5.811 1.00 64.05 H new ATOM 0 HD11 LEU A 6 8.415 -8.960 -3.529 1.00 50.32 H new ATOM 0 HD12 LEU A 6 9.150 -7.340 -3.522 1.00 50.32 H new ATOM 0 HD13 LEU A 6 7.427 -7.536 -3.124 1.00 50.32 H new ATOM 0 HD21 LEU A 6 6.855 -9.616 -5.324 1.00 21.21 H new ATOM 0 HD22 LEU A 6 5.805 -8.218 -4.990 1.00 21.21 H new ATOM 0 HD23 LEU A 6 6.452 -8.474 -6.628 1.00 21.21 H new ATOM 94 N SER A 7 9.429 -4.609 -7.080 1.00 4.32 N ATOM 95 CA SER A 7 9.826 -3.677 -8.130 1.00 32.54 C ATOM 96 C SER A 7 8.933 -3.831 -9.357 1.00 41.03 C ATOM 97 O SER A 7 8.715 -4.940 -9.845 1.00 44.53 O ATOM 98 CB SER A 7 11.288 -3.905 -8.517 1.00 3.22 C ATOM 99 OG SER A 7 12.139 -2.978 -7.865 1.00 14.44 O ATOM 0 H SER A 7 9.524 -5.593 -7.331 1.00 4.32 H new ATOM 0 HA SER A 7 9.714 -2.664 -7.745 1.00 32.54 H new ATOM 0 HB2 SER A 7 11.583 -4.921 -8.254 1.00 3.22 H new ATOM 0 HB3 SER A 7 11.401 -3.810 -9.597 1.00 3.22 H new ATOM 0 HG SER A 7 13.068 -3.146 -8.128 1.00 14.44 H new ATOM 105 N ALA A 8 8.419 -2.709 -9.851 1.00 70.42 N ATOM 106 CA ALA A 8 7.552 -2.718 -11.023 1.00 14.44 C ATOM 107 C ALA A 8 8.301 -3.208 -12.257 1.00 12.00 C ATOM 108 O ALA A 8 7.691 -3.650 -13.231 1.00 64.12 O ATOM 109 CB ALA A 8 6.981 -1.328 -11.267 1.00 31.45 C ATOM 0 H ALA A 8 8.588 -1.783 -9.458 1.00 70.42 H new ATOM 0 HA ALA A 8 6.731 -3.409 -10.831 1.00 14.44 H new ATOM 0 HB1 ALA A 8 6.335 -1.349 -12.145 1.00 31.45 H new ATOM 0 HB2 ALA A 8 6.402 -1.015 -10.398 1.00 31.45 H new ATOM 0 HB3 ALA A 8 7.796 -0.624 -11.433 1.00 31.45 H new ATOM 115 N LYS A 9 9.626 -3.127 -12.210 1.00 41.51 N ATOM 116 CA LYS A 9 10.460 -3.562 -13.324 1.00 71.40 C ATOM 117 C LYS A 9 10.881 -5.018 -13.151 1.00 62.23 C ATOM 118 O LYS A 9 11.616 -5.563 -13.975 1.00 20.52 O ATOM 119 CB LYS A 9 11.699 -2.672 -13.439 1.00 42.02 C ATOM 120 CG LYS A 9 12.313 -2.660 -14.829 1.00 32.44 C ATOM 121 CD LYS A 9 13.609 -1.869 -14.859 1.00 44.20 C ATOM 122 CE LYS A 9 14.287 -1.960 -16.218 1.00 33.52 C ATOM 123 NZ LYS A 9 13.379 -1.536 -17.320 1.00 21.44 N ATOM 0 H LYS A 9 10.146 -2.764 -11.411 1.00 41.51 H new ATOM 0 HA LYS A 9 9.874 -3.477 -14.239 1.00 71.40 H new ATOM 0 HB2 LYS A 9 11.431 -1.653 -13.161 1.00 42.02 H new ATOM 0 HB3 LYS A 9 12.448 -3.012 -12.723 1.00 42.02 H new ATOM 0 HG2 LYS A 9 12.503 -3.683 -15.153 1.00 32.44 H new ATOM 0 HG3 LYS A 9 11.605 -2.228 -15.537 1.00 32.44 H new ATOM 0 HD2 LYS A 9 13.405 -0.825 -14.623 1.00 44.20 H new ATOM 0 HD3 LYS A 9 14.283 -2.244 -14.089 1.00 44.20 H new ATOM 0 HE2 LYS A 9 15.179 -1.334 -16.221 1.00 33.52 H new ATOM 0 HE3 LYS A 9 14.616 -2.985 -16.392 1.00 33.52 H new ATOM 0 HZ1 LYS A 9 13.925 -1.433 -18.199 1.00 21.44 H new ATOM 0 HZ2 LYS A 9 12.638 -2.253 -17.455 1.00 21.44 H new ATOM 0 HZ3 LYS A 9 12.939 -0.625 -17.077 1.00 21.44 H new ATOM 137 N ASP A 10 10.410 -5.642 -12.077 1.00 42.01 N ATOM 138 CA ASP A 10 10.736 -7.036 -11.798 1.00 42.30 C ATOM 139 C ASP A 10 9.472 -7.886 -11.728 1.00 75.10 C ATOM 140 O ASP A 10 9.475 -9.054 -12.119 1.00 53.31 O ATOM 141 CB ASP A 10 11.514 -7.147 -10.486 1.00 12.03 C ATOM 142 CG ASP A 10 12.819 -6.377 -10.519 1.00 65.34 C ATOM 143 OD1 ASP A 10 12.783 -5.159 -10.791 1.00 73.22 O ATOM 144 OD2 ASP A 10 13.878 -6.993 -10.275 1.00 22.21 O ATOM 0 H ASP A 10 9.801 -5.205 -11.385 1.00 42.01 H new ATOM 0 HA ASP A 10 11.358 -7.408 -12.612 1.00 42.30 H new ATOM 0 HB2 ASP A 10 10.897 -6.775 -9.668 1.00 12.03 H new ATOM 0 HB3 ASP A 10 11.720 -8.197 -10.277 1.00 12.03 H new ATOM 149 N ILE A 11 8.393 -7.293 -11.227 1.00 22.33 N ATOM 150 CA ILE A 11 7.122 -7.997 -11.106 1.00 3.43 C ATOM 151 C ILE A 11 6.609 -8.443 -12.470 1.00 60.43 C ATOM 152 O ILE A 11 6.385 -9.631 -12.701 1.00 61.02 O ATOM 153 CB ILE A 11 6.054 -7.116 -10.431 1.00 32.21 C ATOM 154 CG1 ILE A 11 6.487 -6.749 -9.010 1.00 32.50 C ATOM 155 CG2 ILE A 11 4.712 -7.832 -10.413 1.00 74.32 C ATOM 156 CD1 ILE A 11 5.963 -5.409 -8.546 1.00 14.34 C ATOM 0 H ILE A 11 8.374 -6.327 -10.899 1.00 22.33 H new ATOM 0 HA ILE A 11 7.304 -8.874 -10.485 1.00 3.43 H new ATOM 0 HB ILE A 11 5.946 -6.196 -11.006 1.00 32.21 H new ATOM 0 HG12 ILE A 11 6.143 -7.522 -8.323 1.00 32.50 H new ATOM 0 HG13 ILE A 11 7.576 -6.741 -8.961 1.00 32.50 H new ATOM 0 HG21 ILE A 11 3.967 -7.197 -9.933 1.00 74.32 H new ATOM 0 HG22 ILE A 11 4.401 -8.047 -11.435 1.00 74.32 H new ATOM 0 HG23 ILE A 11 4.805 -8.765 -9.858 1.00 74.32 H new ATOM 0 HD11 ILE A 11 6.309 -5.215 -7.531 1.00 14.34 H new ATOM 0 HD12 ILE A 11 6.328 -4.626 -9.210 1.00 14.34 H new ATOM 0 HD13 ILE A 11 4.873 -5.419 -8.562 1.00 14.34 H new ATOM 168 N GLU A 12 6.427 -7.483 -13.371 1.00 72.14 N ATOM 169 CA GLU A 12 5.941 -7.779 -14.714 1.00 51.31 C ATOM 170 C GLU A 12 6.977 -8.573 -15.505 1.00 35.11 C ATOM 171 O GLU A 12 6.634 -9.317 -16.424 1.00 45.00 O ATOM 172 CB GLU A 12 5.602 -6.483 -15.454 1.00 74.35 C ATOM 173 CG GLU A 12 4.793 -5.501 -14.623 1.00 61.25 C ATOM 174 CD GLU A 12 4.404 -4.260 -15.403 1.00 34.04 C ATOM 175 OE1 GLU A 12 5.273 -3.703 -16.105 1.00 13.41 O ATOM 176 OE2 GLU A 12 3.229 -3.847 -15.310 1.00 12.51 O ATOM 0 H GLU A 12 6.608 -6.495 -13.196 1.00 72.14 H new ATOM 0 HA GLU A 12 5.039 -8.383 -14.621 1.00 51.31 H new ATOM 0 HB2 GLU A 12 6.528 -6.002 -15.770 1.00 74.35 H new ATOM 0 HB3 GLU A 12 5.044 -6.726 -16.358 1.00 74.35 H new ATOM 0 HG2 GLU A 12 3.892 -5.995 -14.259 1.00 61.25 H new ATOM 0 HG3 GLU A 12 5.372 -5.209 -13.747 1.00 61.25 H new ATOM 183 N SER A 13 8.244 -8.409 -15.140 1.00 42.34 N ATOM 184 CA SER A 13 9.331 -9.106 -15.818 1.00 31.32 C ATOM 185 C SER A 13 9.530 -10.501 -15.232 1.00 1.34 C ATOM 186 O SER A 13 10.443 -11.226 -15.624 1.00 61.43 O ATOM 187 CB SER A 13 10.628 -8.304 -15.706 1.00 44.42 C ATOM 188 OG SER A 13 11.563 -8.705 -16.693 1.00 21.22 O ATOM 0 H SER A 13 8.543 -7.800 -14.379 1.00 42.34 H new ATOM 0 HA SER A 13 9.065 -9.207 -16.870 1.00 31.32 H new ATOM 0 HB2 SER A 13 10.413 -7.241 -15.815 1.00 44.42 H new ATOM 0 HB3 SER A 13 11.060 -8.441 -14.715 1.00 44.42 H new ATOM 0 HG SER A 13 11.582 -9.683 -16.747 1.00 21.22 H new ATOM 194 N ALA A 14 8.668 -10.868 -14.289 1.00 4.02 N ATOM 195 CA ALA A 14 8.747 -12.175 -13.649 1.00 64.30 C ATOM 196 C ALA A 14 7.430 -12.931 -13.780 1.00 74.34 C ATOM 197 O ALA A 14 7.415 -14.155 -13.920 1.00 63.01 O ATOM 198 CB ALA A 14 9.127 -12.024 -12.184 1.00 3.45 C ATOM 0 H ALA A 14 7.907 -10.278 -13.952 1.00 4.02 H new ATOM 0 HA ALA A 14 9.520 -12.753 -14.156 1.00 64.30 H new ATOM 0 HB1 ALA A 14 9.182 -13.008 -11.719 1.00 3.45 H new ATOM 0 HB2 ALA A 14 10.097 -11.532 -12.108 1.00 3.45 H new ATOM 0 HB3 ALA A 14 8.375 -11.423 -11.673 1.00 3.45 H new ATOM 455 N THR A 32 14.306 -12.664 -11.023 1.00 14.14 N ATOM 456 CA THR A 32 12.899 -12.812 -10.672 1.00 53.44 C ATOM 457 C THR A 32 12.334 -11.514 -10.105 1.00 61.22 C ATOM 458 O THR A 32 13.066 -10.548 -9.891 1.00 23.12 O ATOM 459 CB THR A 32 12.691 -13.941 -9.646 1.00 11.25 C ATOM 460 OG1 THR A 32 13.796 -14.851 -9.688 1.00 10.55 O ATOM 461 CG2 THR A 32 11.398 -14.693 -9.922 1.00 52.32 C ATOM 0 HA THR A 32 12.369 -13.065 -11.591 1.00 53.44 H new ATOM 0 HB THR A 32 12.627 -13.493 -8.654 1.00 11.25 H new ATOM 0 HG1 THR A 32 14.561 -14.417 -10.120 1.00 10.55 H new ATOM 0 HG21 THR A 32 11.273 -15.485 -9.184 1.00 52.32 H new ATOM 0 HG22 THR A 32 10.556 -14.004 -9.860 1.00 52.32 H new ATOM 0 HG23 THR A 32 11.437 -15.129 -10.920 1.00 52.32 H new ATOM 469 N VAL A 33 11.027 -11.499 -9.863 1.00 41.10 N ATOM 470 CA VAL A 33 10.364 -10.320 -9.318 1.00 43.05 C ATOM 471 C VAL A 33 11.117 -9.776 -8.109 1.00 55.02 C ATOM 472 O VAL A 33 11.270 -8.565 -7.954 1.00 22.34 O ATOM 473 CB VAL A 33 8.913 -10.631 -8.909 1.00 35.33 C ATOM 474 CG1 VAL A 33 8.855 -11.895 -8.064 1.00 3.23 C ATOM 475 CG2 VAL A 33 8.306 -9.453 -8.162 1.00 53.13 C ATOM 0 H VAL A 33 10.406 -12.290 -10.036 1.00 41.10 H new ATOM 0 HA VAL A 33 10.357 -9.567 -10.106 1.00 43.05 H new ATOM 0 HB VAL A 33 8.328 -10.800 -9.813 1.00 35.33 H new ATOM 0 HG11 VAL A 33 7.821 -12.099 -7.784 1.00 3.23 H new ATOM 0 HG12 VAL A 33 9.248 -12.734 -8.638 1.00 3.23 H new ATOM 0 HG13 VAL A 33 9.454 -11.759 -7.164 1.00 3.23 H new ATOM 0 HG21 VAL A 33 7.280 -9.690 -7.881 1.00 53.13 H new ATOM 0 HG22 VAL A 33 8.891 -9.251 -7.265 1.00 53.13 H new ATOM 0 HG23 VAL A 33 8.311 -8.573 -8.805 1.00 53.13 H new ATOM 485 N GLY A 34 11.585 -10.680 -7.254 1.00 73.32 N ATOM 486 CA GLY A 34 12.316 -10.272 -6.069 1.00 62.02 C ATOM 487 C GLY A 34 11.735 -10.859 -4.798 1.00 51.31 C ATOM 488 O GLY A 34 12.467 -11.175 -3.860 1.00 4.45 O ATOM 0 H GLY A 34 11.471 -11.688 -7.361 1.00 73.32 H new ATOM 0 HA2 GLY A 34 13.357 -10.580 -6.165 1.00 62.02 H new ATOM 0 HA3 GLY A 34 12.310 -9.184 -5.999 1.00 62.02 H new ATOM 492 N LEU A 35 10.415 -11.004 -4.765 1.00 51.04 N ATOM 493 CA LEU A 35 9.735 -11.555 -3.599 1.00 35.43 C ATOM 494 C LEU A 35 10.342 -12.895 -3.197 1.00 24.34 C ATOM 495 O LEU A 35 10.671 -13.114 -2.031 1.00 30.42 O ATOM 496 CB LEU A 35 8.242 -11.726 -3.887 1.00 50.42 C ATOM 497 CG LEU A 35 7.294 -11.399 -2.733 1.00 73.10 C ATOM 498 CD1 LEU A 35 5.944 -12.067 -2.946 1.00 0.22 C ATOM 499 CD2 LEU A 35 7.901 -11.830 -1.406 1.00 33.12 C ATOM 0 H LEU A 35 9.794 -10.747 -5.533 1.00 51.04 H new ATOM 0 HA LEU A 35 9.862 -10.856 -2.772 1.00 35.43 H new ATOM 0 HB2 LEU A 35 7.981 -11.093 -4.735 1.00 50.42 H new ATOM 0 HB3 LEU A 35 8.067 -12.757 -4.193 1.00 50.42 H new ATOM 0 HG LEU A 35 7.142 -10.320 -2.707 1.00 73.10 H new ATOM 0 HD11 LEU A 35 5.282 -11.823 -2.115 1.00 0.22 H new ATOM 0 HD12 LEU A 35 5.504 -11.710 -3.877 1.00 0.22 H new ATOM 0 HD13 LEU A 35 6.077 -13.148 -2.999 1.00 0.22 H new ATOM 0 HD21 LEU A 35 7.213 -11.590 -0.596 1.00 33.12 H new ATOM 0 HD22 LEU A 35 8.083 -12.905 -1.421 1.00 33.12 H new ATOM 0 HD23 LEU A 35 8.843 -11.305 -1.249 1.00 33.12 H new ATOM 511 N SER A 36 10.491 -13.788 -4.170 1.00 50.13 N ATOM 512 CA SER A 36 11.058 -15.107 -3.918 1.00 22.32 C ATOM 513 C SER A 36 12.551 -15.009 -3.620 1.00 43.21 C ATOM 514 O SER A 36 13.179 -15.984 -3.208 1.00 61.34 O ATOM 515 CB SER A 36 10.826 -16.024 -5.120 1.00 73.31 C ATOM 516 OG SER A 36 11.305 -15.431 -6.314 1.00 64.13 O ATOM 0 H SER A 36 10.227 -13.622 -5.141 1.00 50.13 H new ATOM 0 HA SER A 36 10.558 -15.529 -3.046 1.00 22.32 H new ATOM 0 HB2 SER A 36 11.329 -16.977 -4.957 1.00 73.31 H new ATOM 0 HB3 SER A 36 9.762 -16.238 -5.218 1.00 73.31 H new ATOM 0 HG SER A 36 11.146 -16.038 -7.067 1.00 64.13 H new ATOM 522 N SER A 37 13.114 -13.823 -3.832 1.00 34.11 N ATOM 523 CA SER A 37 14.534 -13.596 -3.590 1.00 73.55 C ATOM 524 C SER A 37 14.741 -12.444 -2.613 1.00 3.31 C ATOM 525 O SER A 37 15.753 -11.744 -2.665 1.00 52.35 O ATOM 526 CB SER A 37 15.255 -13.300 -4.907 1.00 25.55 C ATOM 527 OG SER A 37 16.609 -13.717 -4.851 1.00 11.54 O ATOM 0 H SER A 37 12.608 -13.005 -4.171 1.00 34.11 H new ATOM 0 HA SER A 37 14.953 -14.501 -3.150 1.00 73.55 H new ATOM 0 HB2 SER A 37 14.748 -13.810 -5.726 1.00 25.55 H new ATOM 0 HB3 SER A 37 15.208 -12.232 -5.119 1.00 25.55 H new ATOM 0 HG SER A 37 17.048 -13.519 -5.704 1.00 11.54 H new ATOM 533 N LYS A 38 13.776 -12.252 -1.721 1.00 12.14 N ATOM 534 CA LYS A 38 13.851 -11.186 -0.729 1.00 15.42 C ATOM 535 C LYS A 38 14.225 -11.742 0.641 1.00 20.11 C ATOM 536 O LYS A 38 14.403 -12.950 0.805 1.00 15.45 O ATOM 537 CB LYS A 38 12.513 -10.447 -0.643 1.00 3.53 C ATOM 538 CG LYS A 38 12.369 -9.329 -1.661 1.00 62.13 C ATOM 539 CD LYS A 38 12.425 -7.962 -1.001 1.00 13.22 C ATOM 540 CE LYS A 38 12.490 -6.846 -2.033 1.00 30.51 C ATOM 541 NZ LYS A 38 12.620 -5.507 -1.395 1.00 20.23 N ATOM 0 H LYS A 38 12.932 -12.821 -1.664 1.00 12.14 H new ATOM 0 HA LYS A 38 14.627 -10.487 -1.042 1.00 15.42 H new ATOM 0 HB2 LYS A 38 11.703 -11.162 -0.784 1.00 3.53 H new ATOM 0 HB3 LYS A 38 12.401 -10.032 0.359 1.00 3.53 H new ATOM 0 HG2 LYS A 38 13.163 -9.408 -2.404 1.00 62.13 H new ATOM 0 HG3 LYS A 38 11.423 -9.439 -2.192 1.00 62.13 H new ATOM 0 HD2 LYS A 38 11.546 -7.825 -0.371 1.00 13.22 H new ATOM 0 HD3 LYS A 38 13.297 -7.907 -0.349 1.00 13.22 H new ATOM 0 HE2 LYS A 38 13.337 -7.015 -2.698 1.00 30.51 H new ATOM 0 HE3 LYS A 38 11.591 -6.869 -2.649 1.00 30.51 H new ATOM 0 HZ1 LYS A 38 11.810 -4.913 -1.665 1.00 20.23 H new ATOM 0 HZ2 LYS A 38 12.640 -5.616 -0.361 1.00 20.23 H new ATOM 0 HZ3 LYS A 38 13.501 -5.055 -1.712 1.00 20.23 H new ATOM 555 N THR A 39 14.343 -10.854 1.624 1.00 74.23 N ATOM 556 CA THR A 39 14.695 -11.257 2.979 1.00 4.43 C ATOM 557 C THR A 39 13.453 -11.609 3.789 1.00 11.53 C ATOM 558 O THR A 39 12.345 -11.156 3.500 1.00 1.43 O ATOM 559 CB THR A 39 15.473 -10.146 3.710 1.00 24.23 C ATOM 560 OG1 THR A 39 16.712 -10.663 4.210 1.00 71.14 O ATOM 561 CG2 THR A 39 14.655 -9.579 4.860 1.00 14.20 C ATOM 0 H THR A 39 14.200 -9.851 1.506 1.00 74.23 H new ATOM 0 HA THR A 39 15.330 -12.139 2.892 1.00 4.43 H new ATOM 0 HB THR A 39 15.674 -9.345 2.998 1.00 24.23 H new ATOM 0 HG1 THR A 39 17.201 -9.950 4.672 1.00 71.14 H new ATOM 0 HG21 THR A 39 15.225 -8.796 5.361 1.00 14.20 H new ATOM 0 HG22 THR A 39 13.726 -9.160 4.474 1.00 14.20 H new ATOM 0 HG23 THR A 39 14.427 -10.373 5.571 1.00 14.20 H new ATOM 569 N PRO A 40 13.638 -12.435 4.829 1.00 20.22 N ATOM 570 CA PRO A 40 12.543 -12.865 5.703 1.00 33.24 C ATOM 571 C PRO A 40 12.016 -11.730 6.574 1.00 1.51 C ATOM 572 O PRO A 40 12.288 -11.677 7.774 1.00 44.24 O ATOM 573 CB PRO A 40 13.186 -13.950 6.571 1.00 42.11 C ATOM 574 CG PRO A 40 14.638 -13.618 6.577 1.00 4.24 C ATOM 575 CD PRO A 40 14.931 -13.013 5.232 1.00 60.51 C ATOM 0 HA PRO A 40 11.680 -13.211 5.134 1.00 33.24 H new ATOM 0 HB2 PRO A 40 12.774 -13.945 7.580 1.00 42.11 H new ATOM 0 HB3 PRO A 40 13.009 -14.943 6.159 1.00 42.11 H new ATOM 0 HG2 PRO A 40 14.875 -12.919 7.379 1.00 4.24 H new ATOM 0 HG3 PRO A 40 15.241 -14.510 6.743 1.00 4.24 H new ATOM 0 HD2 PRO A 40 15.709 -12.252 5.294 1.00 60.51 H new ATOM 0 HD3 PRO A 40 15.275 -13.763 4.520 1.00 60.51 H new ATOM 583 N ASP A 41 11.261 -10.823 5.963 1.00 31.32 N ATOM 584 CA ASP A 41 10.695 -9.689 6.684 1.00 55.15 C ATOM 585 C ASP A 41 9.806 -8.853 5.768 1.00 14.11 C ATOM 586 O ASP A 41 8.715 -8.436 6.158 1.00 24.23 O ATOM 587 CB ASP A 41 11.810 -8.819 7.266 1.00 54.13 C ATOM 588 CG ASP A 41 11.473 -8.295 8.648 1.00 41.42 C ATOM 589 OD1 ASP A 41 10.437 -7.612 8.787 1.00 74.50 O ATOM 590 OD2 ASP A 41 12.247 -8.566 9.590 1.00 13.33 O ATOM 0 H ASP A 41 11.027 -10.851 4.971 1.00 31.32 H new ATOM 0 HA ASP A 41 10.084 -10.076 7.500 1.00 55.15 H new ATOM 0 HB2 ASP A 41 12.731 -9.399 7.315 1.00 54.13 H new ATOM 0 HB3 ASP A 41 11.998 -7.979 6.598 1.00 54.13 H new ATOM 595 N GLN A 42 10.280 -8.611 4.550 1.00 21.33 N ATOM 596 CA GLN A 42 9.529 -7.823 3.581 1.00 75.44 C ATOM 597 C GLN A 42 8.471 -8.677 2.889 1.00 55.43 C ATOM 598 O GLN A 42 7.490 -8.156 2.357 1.00 51.54 O ATOM 599 CB GLN A 42 10.474 -7.219 2.541 1.00 74.25 C ATOM 600 CG GLN A 42 11.742 -6.633 3.139 1.00 40.30 C ATOM 601 CD GLN A 42 11.458 -5.616 4.227 1.00 30.33 C ATOM 602 OE1 GLN A 42 11.424 -5.951 5.412 1.00 43.12 O ATOM 603 NE2 GLN A 42 11.252 -4.366 3.831 1.00 51.14 N ATOM 0 H GLN A 42 11.181 -8.949 4.211 1.00 21.33 H new ATOM 0 HA GLN A 42 9.027 -7.017 4.116 1.00 75.44 H new ATOM 0 HB2 GLN A 42 10.745 -7.989 1.818 1.00 74.25 H new ATOM 0 HB3 GLN A 42 9.946 -6.439 1.993 1.00 74.25 H new ATOM 0 HG2 GLN A 42 12.351 -7.438 3.550 1.00 40.30 H new ATOM 0 HG3 GLN A 42 12.327 -6.161 2.350 1.00 40.30 H new ATOM 0 HE21 GLN A 42 11.289 -4.133 2.839 1.00 51.14 H new ATOM 0 HE22 GLN A 42 11.056 -3.639 4.519 1.00 51.14 H new ATOM 612 N ILE A 43 8.676 -9.989 2.900 1.00 62.23 N ATOM 613 CA ILE A 43 7.739 -10.914 2.274 1.00 64.01 C ATOM 614 C ILE A 43 6.350 -10.789 2.889 1.00 53.11 C ATOM 615 O ILE A 43 5.360 -10.598 2.182 1.00 62.14 O ATOM 616 CB ILE A 43 8.217 -12.373 2.404 1.00 54.43 C ATOM 617 CG1 ILE A 43 9.550 -12.563 1.677 1.00 54.41 C ATOM 618 CG2 ILE A 43 7.166 -13.325 1.852 1.00 11.32 C ATOM 619 CD1 ILE A 43 10.125 -13.954 1.824 1.00 51.11 C ATOM 0 H ILE A 43 9.483 -10.436 3.336 1.00 62.23 H new ATOM 0 HA ILE A 43 7.691 -10.649 1.218 1.00 64.01 H new ATOM 0 HB ILE A 43 8.366 -12.599 3.460 1.00 54.43 H new ATOM 0 HG12 ILE A 43 9.411 -12.346 0.618 1.00 54.41 H new ATOM 0 HG13 ILE A 43 10.270 -11.839 2.059 1.00 54.41 H new ATOM 0 HG21 ILE A 43 7.518 -14.352 1.951 1.00 11.32 H new ATOM 0 HG22 ILE A 43 6.237 -13.204 2.410 1.00 11.32 H new ATOM 0 HG23 ILE A 43 6.989 -13.101 0.800 1.00 11.32 H new ATOM 0 HD11 ILE A 43 11.069 -14.016 1.283 1.00 51.11 H new ATOM 0 HD12 ILE A 43 10.296 -14.167 2.879 1.00 51.11 H new ATOM 0 HD13 ILE A 43 9.424 -14.682 1.416 1.00 51.11 H new ATOM 631 N LYS A 44 6.282 -10.896 4.212 1.00 63.04 N ATOM 632 CA LYS A 44 5.015 -10.792 4.925 1.00 53.14 C ATOM 633 C LYS A 44 4.271 -9.520 4.530 1.00 44.21 C ATOM 634 O LYS A 44 3.065 -9.543 4.287 1.00 73.44 O ATOM 635 CB LYS A 44 5.253 -10.808 6.436 1.00 4.21 C ATOM 636 CG LYS A 44 6.374 -9.886 6.885 1.00 62.04 C ATOM 637 CD LYS A 44 6.522 -9.883 8.397 1.00 63.01 C ATOM 638 CE LYS A 44 6.177 -8.525 8.988 1.00 13.11 C ATOM 639 NZ LYS A 44 6.920 -8.265 10.252 1.00 40.20 N ATOM 0 H LYS A 44 7.091 -11.055 4.812 1.00 63.04 H new ATOM 0 HA LYS A 44 4.402 -11.651 4.651 1.00 53.14 H new ATOM 0 HB2 LYS A 44 4.332 -10.521 6.943 1.00 4.21 H new ATOM 0 HB3 LYS A 44 5.484 -11.826 6.748 1.00 4.21 H new ATOM 0 HG2 LYS A 44 7.311 -10.202 6.427 1.00 62.04 H new ATOM 0 HG3 LYS A 44 6.175 -8.873 6.536 1.00 62.04 H new ATOM 0 HD2 LYS A 44 5.872 -10.644 8.829 1.00 63.01 H new ATOM 0 HD3 LYS A 44 7.545 -10.148 8.664 1.00 63.01 H new ATOM 0 HE2 LYS A 44 6.409 -7.744 8.264 1.00 13.11 H new ATOM 0 HE3 LYS A 44 5.105 -8.474 9.180 1.00 13.11 H new ATOM 0 HZ1 LYS A 44 6.657 -7.330 10.623 1.00 40.20 H new ATOM 0 HZ2 LYS A 44 6.680 -8.995 10.952 1.00 40.20 H new ATOM 0 HZ3 LYS A 44 7.943 -8.288 10.065 1.00 40.20 H new ATOM 653 N LYS A 45 4.999 -8.410 4.467 1.00 63.11 N ATOM 654 CA LYS A 45 4.410 -7.128 4.099 1.00 44.01 C ATOM 655 C LYS A 45 3.739 -7.210 2.732 1.00 41.03 C ATOM 656 O LYS A 45 2.819 -6.448 2.434 1.00 45.42 O ATOM 657 CB LYS A 45 5.482 -6.036 4.088 1.00 40.50 C ATOM 658 CG LYS A 45 5.747 -5.430 5.455 1.00 2.15 C ATOM 659 CD LYS A 45 7.040 -4.631 5.470 1.00 14.14 C ATOM 660 CE LYS A 45 6.927 -3.372 4.624 1.00 74.42 C ATOM 661 NZ LYS A 45 7.748 -2.259 5.174 1.00 41.45 N ATOM 0 H LYS A 45 5.999 -8.373 4.666 1.00 63.11 H new ATOM 0 HA LYS A 45 3.652 -6.878 4.842 1.00 44.01 H new ATOM 0 HB2 LYS A 45 6.410 -6.454 3.699 1.00 40.50 H new ATOM 0 HB3 LYS A 45 5.176 -5.246 3.402 1.00 40.50 H new ATOM 0 HG2 LYS A 45 4.915 -4.783 5.735 1.00 2.15 H new ATOM 0 HG3 LYS A 45 5.799 -6.223 6.201 1.00 2.15 H new ATOM 0 HD2 LYS A 45 7.290 -4.360 6.496 1.00 14.14 H new ATOM 0 HD3 LYS A 45 7.856 -5.250 5.096 1.00 14.14 H new ATOM 0 HE2 LYS A 45 7.246 -3.589 3.605 1.00 74.42 H new ATOM 0 HE3 LYS A 45 5.883 -3.062 4.572 1.00 74.42 H new ATOM 0 HZ1 LYS A 45 7.644 -1.419 4.569 1.00 41.45 H new ATOM 0 HZ2 LYS A 45 7.427 -2.034 6.137 1.00 41.45 H new ATOM 0 HZ3 LYS A 45 8.748 -2.545 5.200 1.00 41.45 H new ATOM 675 N VAL A 46 4.204 -8.141 1.904 1.00 13.41 N ATOM 676 CA VAL A 46 3.646 -8.324 0.569 1.00 4.13 C ATOM 677 C VAL A 46 2.445 -9.262 0.599 1.00 10.15 C ATOM 678 O VAL A 46 1.607 -9.244 -0.302 1.00 52.21 O ATOM 679 CB VAL A 46 4.698 -8.886 -0.406 1.00 0.42 C ATOM 680 CG1 VAL A 46 4.063 -9.205 -1.751 1.00 31.05 C ATOM 681 CG2 VAL A 46 5.849 -7.905 -0.570 1.00 42.21 C ATOM 0 H VAL A 46 4.965 -8.780 2.134 1.00 13.41 H new ATOM 0 HA VAL A 46 3.327 -7.341 0.222 1.00 4.13 H new ATOM 0 HB VAL A 46 5.096 -9.812 0.010 1.00 0.42 H new ATOM 0 HG11 VAL A 46 4.821 -9.601 -2.427 1.00 31.05 H new ATOM 0 HG12 VAL A 46 3.276 -9.946 -1.615 1.00 31.05 H new ATOM 0 HG13 VAL A 46 3.636 -8.297 -2.177 1.00 31.05 H new ATOM 0 HG21 VAL A 46 6.583 -8.318 -1.262 1.00 42.21 H new ATOM 0 HG22 VAL A 46 5.470 -6.962 -0.963 1.00 42.21 H new ATOM 0 HG23 VAL A 46 6.320 -7.732 0.398 1.00 42.21 H new ATOM 691 N PHE A 47 2.367 -10.081 1.643 1.00 61.21 N ATOM 692 CA PHE A 47 1.268 -11.028 1.791 1.00 11.11 C ATOM 693 C PHE A 47 0.025 -10.336 2.344 1.00 23.43 C ATOM 694 O PHE A 47 -1.097 -10.799 2.144 1.00 20.15 O ATOM 695 CB PHE A 47 1.678 -12.178 2.713 1.00 62.21 C ATOM 696 CG PHE A 47 0.583 -12.625 3.638 1.00 13.44 C ATOM 697 CD1 PHE A 47 -0.453 -13.419 3.174 1.00 31.55 C ATOM 698 CD2 PHE A 47 0.589 -12.250 4.972 1.00 31.03 C ATOM 699 CE1 PHE A 47 -1.463 -13.831 4.024 1.00 43.11 C ATOM 700 CE2 PHE A 47 -0.418 -12.659 5.827 1.00 42.14 C ATOM 701 CZ PHE A 47 -1.444 -13.451 5.352 1.00 75.32 C ATOM 0 H PHE A 47 3.052 -10.108 2.399 1.00 61.21 H new ATOM 0 HA PHE A 47 1.031 -11.429 0.805 1.00 11.11 H new ATOM 0 HB2 PHE A 47 1.997 -13.024 2.105 1.00 62.21 H new ATOM 0 HB3 PHE A 47 2.539 -11.869 3.305 1.00 62.21 H new ATOM 0 HD1 PHE A 47 -0.472 -13.720 2.137 1.00 31.55 H new ATOM 0 HD2 PHE A 47 1.390 -11.631 5.349 1.00 31.03 H new ATOM 0 HE1 PHE A 47 -2.266 -14.449 3.650 1.00 43.11 H new ATOM 0 HE2 PHE A 47 -0.402 -12.359 6.864 1.00 42.14 H new ATOM 0 HZ PHE A 47 -2.231 -13.773 6.018 1.00 75.32 H new ATOM 711 N GLY A 48 0.235 -9.224 3.042 1.00 23.21 N ATOM 712 CA GLY A 48 -0.876 -8.487 3.614 1.00 3.45 C ATOM 713 C GLY A 48 -1.711 -7.787 2.561 1.00 50.41 C ATOM 714 O GLY A 48 -2.806 -7.302 2.849 1.00 60.24 O ATOM 0 H GLY A 48 1.155 -8.821 3.221 1.00 23.21 H new ATOM 0 HA2 GLY A 48 -1.509 -9.171 4.179 1.00 3.45 H new ATOM 0 HA3 GLY A 48 -0.494 -7.749 4.320 1.00 3.45 H new ATOM 718 N ILE A 49 -1.194 -7.731 1.338 1.00 24.44 N ATOM 719 CA ILE A 49 -1.899 -7.085 0.239 1.00 13.21 C ATOM 720 C ILE A 49 -2.817 -8.068 -0.479 1.00 33.21 C ATOM 721 O ILE A 49 -3.676 -7.671 -1.267 1.00 51.44 O ATOM 722 CB ILE A 49 -0.918 -6.478 -0.781 1.00 3.14 C ATOM 723 CG1 ILE A 49 0.232 -5.773 -0.058 1.00 12.14 C ATOM 724 CG2 ILE A 49 -1.643 -5.510 -1.703 1.00 54.11 C ATOM 725 CD1 ILE A 49 1.253 -5.166 -0.994 1.00 53.41 C ATOM 0 H ILE A 49 -0.289 -8.126 1.084 1.00 24.44 H new ATOM 0 HA ILE A 49 -2.497 -6.285 0.676 1.00 13.21 H new ATOM 0 HB ILE A 49 -0.503 -7.284 -1.387 1.00 3.14 H new ATOM 0 HG12 ILE A 49 -0.177 -4.988 0.579 1.00 12.14 H new ATOM 0 HG13 ILE A 49 0.731 -6.487 0.597 1.00 12.14 H new ATOM 0 HG21 ILE A 49 -0.936 -5.090 -2.418 1.00 54.11 H new ATOM 0 HG22 ILE A 49 -2.430 -6.039 -2.240 1.00 54.11 H new ATOM 0 HG23 ILE A 49 -2.083 -4.706 -1.113 1.00 54.11 H new ATOM 0 HD11 ILE A 49 2.038 -4.683 -0.412 1.00 53.41 H new ATOM 0 HD12 ILE A 49 1.690 -5.949 -1.614 1.00 53.41 H new ATOM 0 HD13 ILE A 49 0.768 -4.427 -1.632 1.00 53.41 H new ATOM 737 N LEU A 50 -2.632 -9.354 -0.200 1.00 1.31 N ATOM 738 CA LEU A 50 -3.445 -10.396 -0.818 1.00 2.44 C ATOM 739 C LEU A 50 -4.776 -10.551 -0.090 1.00 14.50 C ATOM 740 O LEU A 50 -5.838 -10.557 -0.713 1.00 14.23 O ATOM 741 CB LEU A 50 -2.691 -11.727 -0.815 1.00 12.22 C ATOM 742 CG LEU A 50 -1.167 -11.636 -0.904 1.00 54.43 C ATOM 743 CD1 LEU A 50 -0.545 -13.022 -0.845 1.00 33.15 C ATOM 744 CD2 LEU A 50 -0.750 -10.916 -2.179 1.00 31.33 C ATOM 0 H LEU A 50 -1.926 -9.700 0.450 1.00 1.31 H new ATOM 0 HA LEU A 50 -3.647 -10.102 -1.848 1.00 2.44 H new ATOM 0 HB2 LEU A 50 -2.950 -12.266 0.096 1.00 12.22 H new ATOM 0 HB3 LEU A 50 -3.049 -12.326 -1.652 1.00 12.22 H new ATOM 0 HG LEU A 50 -0.806 -11.062 -0.051 1.00 54.43 H new ATOM 0 HD11 LEU A 50 0.540 -12.937 -0.910 1.00 33.15 H new ATOM 0 HD12 LEU A 50 -0.816 -13.503 0.095 1.00 33.15 H new ATOM 0 HD13 LEU A 50 -0.912 -13.621 -1.678 1.00 33.15 H new ATOM 0 HD21 LEU A 50 0.338 -10.860 -2.226 1.00 31.33 H new ATOM 0 HD22 LEU A 50 -1.123 -11.463 -3.045 1.00 31.33 H new ATOM 0 HD23 LEU A 50 -1.165 -9.908 -2.180 1.00 31.33 H new ATOM 756 N ASP A 51 -4.712 -10.673 1.231 1.00 22.12 N ATOM 757 CA ASP A 51 -5.913 -10.824 2.045 1.00 64.53 C ATOM 758 C ASP A 51 -6.883 -9.673 1.800 1.00 33.41 C ATOM 759 O ASP A 51 -6.652 -8.827 0.937 1.00 24.11 O ATOM 760 CB ASP A 51 -5.545 -10.891 3.528 1.00 63.43 C ATOM 761 CG ASP A 51 -4.160 -11.464 3.755 1.00 23.43 C ATOM 762 OD1 ASP A 51 -3.175 -10.709 3.618 1.00 44.15 O ATOM 763 OD2 ASP A 51 -4.061 -12.668 4.072 1.00 22.11 O ATOM 0 H ASP A 51 -3.841 -10.670 1.762 1.00 22.12 H new ATOM 0 HA ASP A 51 -6.402 -11.755 1.758 1.00 64.53 H new ATOM 0 HB2 ASP A 51 -5.596 -9.891 3.958 1.00 63.43 H new ATOM 0 HB3 ASP A 51 -6.279 -11.502 4.054 1.00 63.43 H new ATOM 768 N GLN A 52 -7.970 -9.650 2.565 1.00 52.13 N ATOM 769 CA GLN A 52 -8.977 -8.604 2.429 1.00 5.51 C ATOM 770 C GLN A 52 -9.880 -8.555 3.657 1.00 73.03 C ATOM 771 O GLN A 52 -9.925 -7.551 4.367 1.00 12.33 O ATOM 772 CB GLN A 52 -9.816 -8.834 1.172 1.00 74.34 C ATOM 773 CG GLN A 52 -9.853 -10.286 0.723 1.00 72.15 C ATOM 774 CD GLN A 52 -11.114 -10.627 -0.048 1.00 23.05 C ATOM 775 OE1 GLN A 52 -12.199 -10.723 0.527 1.00 41.25 O ATOM 776 NE2 GLN A 52 -10.977 -10.812 -1.355 1.00 70.23 N ATOM 0 H GLN A 52 -8.176 -10.343 3.285 1.00 52.13 H new ATOM 0 HA GLN A 52 -8.461 -7.648 2.342 1.00 5.51 H new ATOM 0 HB2 GLN A 52 -10.835 -8.494 1.358 1.00 74.34 H new ATOM 0 HB3 GLN A 52 -9.418 -8.222 0.363 1.00 74.34 H new ATOM 0 HG2 GLN A 52 -8.983 -10.492 0.099 1.00 72.15 H new ATOM 0 HG3 GLN A 52 -9.779 -10.934 1.596 1.00 72.15 H new ATOM 0 HE21 GLN A 52 -10.058 -10.722 -1.789 1.00 70.23 H new ATOM 0 HE22 GLN A 52 -11.790 -11.044 -1.925 1.00 70.23 H new ATOM 837 N PHE A 57 -5.579 -15.169 7.679 1.00 63.35 N ATOM 838 CA PHE A 57 -5.650 -16.537 7.178 1.00 22.22 C ATOM 839 C PHE A 57 -6.527 -16.616 5.932 1.00 15.35 C ATOM 840 O PHE A 57 -7.755 -16.645 6.026 1.00 21.31 O ATOM 841 CB PHE A 57 -6.196 -17.471 8.260 1.00 10.24 C ATOM 842 CG PHE A 57 -5.599 -17.230 9.617 1.00 24.03 C ATOM 843 CD1 PHE A 57 -4.228 -17.297 9.807 1.00 2.01 C ATOM 844 CD2 PHE A 57 -6.408 -16.937 10.703 1.00 31.21 C ATOM 845 CE1 PHE A 57 -3.675 -17.076 11.054 1.00 3.54 C ATOM 846 CE2 PHE A 57 -5.861 -16.714 11.952 1.00 23.44 C ATOM 847 CZ PHE A 57 -4.493 -16.785 12.129 1.00 44.14 C ATOM 0 HA PHE A 57 -4.641 -16.852 6.911 1.00 22.22 H new ATOM 0 HB2 PHE A 57 -7.278 -17.350 8.321 1.00 10.24 H new ATOM 0 HB3 PHE A 57 -6.007 -18.504 7.967 1.00 10.24 H new ATOM 0 HD1 PHE A 57 -3.584 -17.525 8.970 1.00 2.01 H new ATOM 0 HD2 PHE A 57 -7.479 -16.882 10.572 1.00 31.21 H new ATOM 0 HE1 PHE A 57 -2.605 -17.131 11.188 1.00 3.54 H new ATOM 0 HE2 PHE A 57 -6.503 -16.484 12.790 1.00 23.44 H new ATOM 0 HZ PHE A 57 -4.064 -16.614 13.105 1.00 44.14 H new ATOM 857 N ILE A 58 -5.889 -16.649 4.768 1.00 52.44 N ATOM 858 CA ILE A 58 -6.611 -16.724 3.503 1.00 20.15 C ATOM 859 C ILE A 58 -6.994 -18.163 3.174 1.00 10.13 C ATOM 860 O ILE A 58 -6.205 -19.086 3.373 1.00 33.15 O ATOM 861 CB ILE A 58 -5.777 -16.149 2.344 1.00 41.43 C ATOM 862 CG1 ILE A 58 -5.645 -14.631 2.485 1.00 13.24 C ATOM 863 CG2 ILE A 58 -6.409 -16.509 1.007 1.00 3.44 C ATOM 864 CD1 ILE A 58 -4.588 -14.029 1.586 1.00 21.43 C ATOM 0 H ILE A 58 -4.874 -16.625 4.674 1.00 52.44 H new ATOM 0 HA ILE A 58 -7.515 -16.127 3.620 1.00 20.15 H new ATOM 0 HB ILE A 58 -4.779 -16.587 2.382 1.00 41.43 H new ATOM 0 HG12 ILE A 58 -6.606 -14.169 2.261 1.00 13.24 H new ATOM 0 HG13 ILE A 58 -5.409 -14.390 3.521 1.00 13.24 H new ATOM 0 HG21 ILE A 58 -5.808 -16.095 0.197 1.00 3.44 H new ATOM 0 HG22 ILE A 58 -6.456 -17.593 0.907 1.00 3.44 H new ATOM 0 HG23 ILE A 58 -7.417 -16.096 0.958 1.00 3.44 H new ATOM 0 HD11 ILE A 58 -4.551 -12.951 1.740 1.00 21.43 H new ATOM 0 HD12 ILE A 58 -3.617 -14.463 1.824 1.00 21.43 H new ATOM 0 HD13 ILE A 58 -4.833 -14.239 0.545 1.00 21.43 H new ATOM 876 N GLU A 59 -8.210 -18.345 2.668 1.00 44.13 N ATOM 877 CA GLU A 59 -8.696 -19.672 2.310 1.00 54.03 C ATOM 878 C GLU A 59 -8.768 -19.835 0.794 1.00 4.11 C ATOM 879 O GLU A 59 -8.618 -18.868 0.048 1.00 5.35 O ATOM 880 CB GLU A 59 -10.076 -19.917 2.925 1.00 4.23 C ATOM 881 CG GLU A 59 -10.079 -19.882 4.444 1.00 30.14 C ATOM 882 CD GLU A 59 -10.635 -21.153 5.056 1.00 73.43 C ATOM 883 OE1 GLU A 59 -10.109 -22.242 4.743 1.00 14.04 O ATOM 884 OE2 GLU A 59 -11.597 -21.059 5.847 1.00 1.11 O ATOM 0 H GLU A 59 -8.875 -17.591 2.497 1.00 44.13 H new ATOM 0 HA GLU A 59 -7.994 -20.406 2.705 1.00 54.03 H new ATOM 0 HB2 GLU A 59 -10.770 -19.164 2.551 1.00 4.23 H new ATOM 0 HB3 GLU A 59 -10.447 -20.886 2.591 1.00 4.23 H new ATOM 0 HG2 GLU A 59 -9.061 -19.726 4.802 1.00 30.14 H new ATOM 0 HG3 GLU A 59 -10.670 -19.031 4.783 1.00 30.14 H new ATOM 891 N GLU A 60 -8.997 -21.066 0.347 1.00 0.32 N ATOM 892 CA GLU A 60 -9.087 -21.355 -1.079 1.00 65.41 C ATOM 893 C GLU A 60 -10.051 -20.396 -1.770 1.00 14.23 C ATOM 894 O GLU A 60 -9.929 -20.130 -2.965 1.00 4.02 O ATOM 895 CB GLU A 60 -9.540 -22.800 -1.301 1.00 51.23 C ATOM 896 CG GLU A 60 -9.242 -23.323 -2.696 1.00 74.52 C ATOM 897 CD GLU A 60 -10.440 -23.232 -3.622 1.00 33.25 C ATOM 898 OE1 GLU A 60 -11.330 -22.396 -3.361 1.00 2.42 O ATOM 899 OE2 GLU A 60 -10.487 -23.998 -4.607 1.00 55.01 O ATOM 0 H GLU A 60 -9.123 -21.878 0.951 1.00 0.32 H new ATOM 0 HA GLU A 60 -8.096 -21.221 -1.514 1.00 65.41 H new ATOM 0 HB2 GLU A 60 -9.050 -23.442 -0.569 1.00 51.23 H new ATOM 0 HB3 GLU A 60 -10.612 -22.868 -1.118 1.00 51.23 H new ATOM 0 HG2 GLU A 60 -8.414 -22.757 -3.123 1.00 74.52 H new ATOM 0 HG3 GLU A 60 -8.917 -24.361 -2.629 1.00 74.52 H new ATOM 906 N GLU A 61 -11.011 -19.880 -1.008 1.00 31.54 N ATOM 907 CA GLU A 61 -11.998 -18.952 -1.547 1.00 3.14 C ATOM 908 C GLU A 61 -11.338 -17.644 -1.973 1.00 3.30 C ATOM 909 O GLU A 61 -11.548 -17.165 -3.087 1.00 32.21 O ATOM 910 CB GLU A 61 -13.087 -18.672 -0.509 1.00 52.24 C ATOM 911 CG GLU A 61 -13.948 -19.882 -0.189 1.00 20.22 C ATOM 912 CD GLU A 61 -14.963 -20.180 -1.275 1.00 34.12 C ATOM 913 OE1 GLU A 61 -16.002 -19.489 -1.322 1.00 73.02 O ATOM 914 OE2 GLU A 61 -14.718 -21.105 -2.078 1.00 13.22 O ATOM 0 H GLU A 61 -11.126 -20.089 -0.016 1.00 31.54 H new ATOM 0 HA GLU A 61 -12.452 -19.413 -2.424 1.00 3.14 H new ATOM 0 HB2 GLU A 61 -12.619 -18.316 0.409 1.00 52.24 H new ATOM 0 HB3 GLU A 61 -13.726 -17.868 -0.873 1.00 52.24 H new ATOM 0 HG2 GLU A 61 -13.307 -20.752 -0.048 1.00 20.22 H new ATOM 0 HG3 GLU A 61 -14.469 -19.713 0.753 1.00 20.22 H new ATOM 921 N GLU A 62 -10.539 -17.071 -1.078 1.00 30.35 N ATOM 922 CA GLU A 62 -9.850 -15.818 -1.361 1.00 5.04 C ATOM 923 C GLU A 62 -8.499 -16.077 -2.021 1.00 63.45 C ATOM 924 O GLU A 62 -7.798 -15.144 -2.416 1.00 75.25 O ATOM 925 CB GLU A 62 -9.654 -15.016 -0.073 1.00 2.44 C ATOM 926 CG GLU A 62 -10.427 -13.708 -0.047 1.00 12.04 C ATOM 927 CD GLU A 62 -11.928 -13.919 0.005 1.00 0.21 C ATOM 928 OE1 GLU A 62 -12.366 -14.915 0.618 1.00 63.33 O ATOM 929 OE2 GLU A 62 -12.664 -13.088 -0.567 1.00 34.32 O ATOM 0 H GLU A 62 -10.353 -17.455 -0.151 1.00 30.35 H new ATOM 0 HA GLU A 62 -10.467 -15.241 -2.050 1.00 5.04 H new ATOM 0 HB2 GLU A 62 -9.961 -15.627 0.776 1.00 2.44 H new ATOM 0 HB3 GLU A 62 -8.593 -14.804 0.055 1.00 2.44 H new ATOM 0 HG2 GLU A 62 -10.116 -13.123 0.819 1.00 12.04 H new ATOM 0 HG3 GLU A 62 -10.176 -13.124 -0.933 1.00 12.04 H new ATOM 936 N LEU A 63 -8.139 -17.351 -2.138 1.00 3.22 N ATOM 937 CA LEU A 63 -6.871 -17.735 -2.750 1.00 55.31 C ATOM 938 C LEU A 63 -6.948 -17.633 -4.270 1.00 52.31 C ATOM 939 O LEU A 63 -5.936 -17.428 -4.939 1.00 61.02 O ATOM 940 CB LEU A 63 -6.496 -19.160 -2.342 1.00 32.35 C ATOM 941 CG LEU A 63 -5.001 -19.478 -2.309 1.00 42.42 C ATOM 942 CD1 LEU A 63 -4.291 -18.602 -1.288 1.00 34.33 C ATOM 943 CD2 LEU A 63 -4.775 -20.950 -2.001 1.00 24.52 C ATOM 0 H LEU A 63 -8.707 -18.135 -1.817 1.00 3.22 H new ATOM 0 HA LEU A 63 -6.102 -17.048 -2.396 1.00 55.31 H new ATOM 0 HB2 LEU A 63 -6.910 -19.354 -1.353 1.00 32.35 H new ATOM 0 HB3 LEU A 63 -6.979 -19.853 -3.031 1.00 32.35 H new ATOM 0 HG LEU A 63 -4.582 -19.266 -3.293 1.00 42.42 H new ATOM 0 HD11 LEU A 63 -3.228 -18.843 -1.279 1.00 34.33 H new ATOM 0 HD12 LEU A 63 -4.423 -17.553 -1.554 1.00 34.33 H new ATOM 0 HD13 LEU A 63 -4.712 -18.782 -0.299 1.00 34.33 H new ATOM 0 HD21 LEU A 63 -3.705 -21.158 -1.982 1.00 24.52 H new ATOM 0 HD22 LEU A 63 -5.209 -21.189 -1.030 1.00 24.52 H new ATOM 0 HD23 LEU A 63 -5.249 -21.560 -2.770 1.00 24.52 H new ATOM 955 N GLN A 64 -8.156 -17.775 -4.807 1.00 44.14 N ATOM 956 CA GLN A 64 -8.364 -17.697 -6.248 1.00 62.14 C ATOM 957 C GLN A 64 -8.124 -16.279 -6.757 1.00 75.43 C ATOM 958 O GLN A 64 -8.162 -16.026 -7.962 1.00 60.32 O ATOM 959 CB GLN A 64 -9.782 -18.147 -6.605 1.00 64.11 C ATOM 960 CG GLN A 64 -10.847 -17.111 -6.286 1.00 52.22 C ATOM 961 CD GLN A 64 -12.239 -17.563 -6.683 1.00 24.42 C ATOM 962 OE1 GLN A 64 -12.455 -18.040 -7.797 1.00 62.32 O ATOM 963 NE2 GLN A 64 -13.192 -17.416 -5.770 1.00 62.31 N ATOM 0 H GLN A 64 -9.004 -17.944 -4.266 1.00 44.14 H new ATOM 0 HA GLN A 64 -7.647 -18.362 -6.730 1.00 62.14 H new ATOM 0 HB2 GLN A 64 -9.823 -18.382 -7.669 1.00 64.11 H new ATOM 0 HB3 GLN A 64 -10.009 -19.067 -6.066 1.00 64.11 H new ATOM 0 HG2 GLN A 64 -10.830 -16.895 -5.218 1.00 52.22 H new ATOM 0 HG3 GLN A 64 -10.610 -16.181 -6.803 1.00 52.22 H new ATOM 0 HE21 GLN A 64 -12.968 -17.016 -4.859 1.00 62.31 H new ATOM 0 HE22 GLN A 64 -14.148 -17.703 -5.980 1.00 62.31 H new ATOM 972 N LEU A 65 -7.879 -15.358 -5.833 1.00 1.15 N ATOM 973 CA LEU A 65 -7.633 -13.964 -6.187 1.00 74.43 C ATOM 974 C LEU A 65 -6.152 -13.623 -6.061 1.00 71.23 C ATOM 975 O LEU A 65 -5.779 -12.453 -5.969 1.00 34.41 O ATOM 976 CB LEU A 65 -8.460 -13.037 -5.294 1.00 63.14 C ATOM 977 CG LEU A 65 -9.870 -13.517 -4.951 1.00 32.50 C ATOM 978 CD1 LEU A 65 -10.459 -12.683 -3.824 1.00 41.32 C ATOM 979 CD2 LEU A 65 -10.766 -13.465 -6.180 1.00 43.32 C ATOM 0 H LEU A 65 -7.845 -15.551 -4.832 1.00 1.15 H new ATOM 0 HA LEU A 65 -7.932 -13.820 -7.225 1.00 74.43 H new ATOM 0 HB2 LEU A 65 -7.915 -12.881 -4.363 1.00 63.14 H new ATOM 0 HB3 LEU A 65 -8.538 -12.067 -5.785 1.00 63.14 H new ATOM 0 HG LEU A 65 -9.808 -14.552 -4.615 1.00 32.50 H new ATOM 0 HD11 LEU A 65 -11.463 -13.040 -3.594 1.00 41.32 H new ATOM 0 HD12 LEU A 65 -9.830 -12.773 -2.938 1.00 41.32 H new ATOM 0 HD13 LEU A 65 -10.507 -11.638 -4.131 1.00 41.32 H new ATOM 0 HD21 LEU A 65 -11.766 -13.810 -5.916 1.00 43.32 H new ATOM 0 HD22 LEU A 65 -10.821 -12.440 -6.547 1.00 43.32 H new ATOM 0 HD23 LEU A 65 -10.354 -14.107 -6.958 1.00 43.32 H new ATOM 991 N PHE A 66 -5.311 -14.652 -6.061 1.00 32.25 N ATOM 992 CA PHE A 66 -3.870 -14.462 -5.947 1.00 41.44 C ATOM 993 C PHE A 66 -3.324 -13.713 -7.159 1.00 45.35 C ATOM 994 O PHE A 66 -2.364 -12.949 -7.051 1.00 5.42 O ATOM 995 CB PHE A 66 -3.165 -15.812 -5.808 1.00 22.40 C ATOM 996 CG PHE A 66 -1.666 -15.711 -5.824 1.00 53.13 C ATOM 997 CD1 PHE A 66 -0.972 -15.325 -4.689 1.00 35.12 C ATOM 998 CD2 PHE A 66 -0.952 -16.001 -6.975 1.00 43.14 C ATOM 999 CE1 PHE A 66 0.407 -15.231 -4.700 1.00 75.12 C ATOM 1000 CE2 PHE A 66 0.427 -15.909 -6.993 1.00 22.13 C ATOM 1001 CZ PHE A 66 1.107 -15.523 -5.854 1.00 41.52 C ATOM 0 H PHE A 66 -5.603 -15.626 -6.139 1.00 32.25 H new ATOM 0 HA PHE A 66 -3.677 -13.866 -5.055 1.00 41.44 H new ATOM 0 HB2 PHE A 66 -3.479 -16.283 -4.876 1.00 22.40 H new ATOM 0 HB3 PHE A 66 -3.486 -16.465 -6.619 1.00 22.40 H new ATOM 0 HD1 PHE A 66 -1.515 -15.095 -3.784 1.00 35.12 H new ATOM 0 HD2 PHE A 66 -1.479 -16.302 -7.868 1.00 43.14 H new ATOM 0 HE1 PHE A 66 0.936 -14.930 -3.808 1.00 75.12 H new ATOM 0 HE2 PHE A 66 0.972 -16.139 -7.896 1.00 22.13 H new ATOM 0 HZ PHE A 66 2.184 -15.450 -5.866 1.00 41.52 H new ATOM 1011 N LEU A 67 -3.941 -13.938 -8.314 1.00 11.21 N ATOM 1012 CA LEU A 67 -3.517 -13.285 -9.548 1.00 75.41 C ATOM 1013 C LEU A 67 -4.069 -11.865 -9.630 1.00 64.53 C ATOM 1014 O LEU A 67 -3.753 -11.118 -10.556 1.00 4.41 O ATOM 1015 CB LEU A 67 -3.980 -14.095 -10.761 1.00 23.12 C ATOM 1016 CG LEU A 67 -3.113 -15.298 -11.134 1.00 72.24 C ATOM 1017 CD1 LEU A 67 -3.763 -16.097 -12.254 1.00 4.21 C ATOM 1018 CD2 LEU A 67 -1.718 -14.845 -11.540 1.00 31.32 C ATOM 0 H LEU A 67 -4.736 -14.567 -8.422 1.00 11.21 H new ATOM 0 HA LEU A 67 -2.428 -13.232 -9.547 1.00 75.41 H new ATOM 0 HB2 LEU A 67 -4.994 -14.448 -10.572 1.00 23.12 H new ATOM 0 HB3 LEU A 67 -4.030 -13.427 -11.621 1.00 23.12 H new ATOM 0 HG LEU A 67 -3.024 -15.943 -10.260 1.00 72.24 H new ATOM 0 HD11 LEU A 67 -3.132 -16.949 -12.506 1.00 4.21 H new ATOM 0 HD12 LEU A 67 -4.740 -16.453 -11.927 1.00 4.21 H new ATOM 0 HD13 LEU A 67 -3.883 -15.462 -13.132 1.00 4.21 H new ATOM 0 HD21 LEU A 67 -1.115 -15.714 -11.802 1.00 31.32 H new ATOM 0 HD22 LEU A 67 -1.788 -14.179 -12.400 1.00 31.32 H new ATOM 0 HD23 LEU A 67 -1.251 -14.317 -10.709 1.00 31.32 H new ATOM 1030 N LYS A 68 -4.893 -11.499 -8.655 1.00 0.02 N ATOM 1031 CA LYS A 68 -5.486 -10.168 -8.614 1.00 11.45 C ATOM 1032 C LYS A 68 -4.587 -9.195 -7.857 1.00 13.20 C ATOM 1033 O LYS A 68 -4.723 -7.979 -7.989 1.00 61.32 O ATOM 1034 CB LYS A 68 -6.866 -10.222 -7.954 1.00 10.10 C ATOM 1035 CG LYS A 68 -7.838 -11.157 -8.653 1.00 1.31 C ATOM 1036 CD LYS A 68 -8.443 -10.511 -9.888 1.00 2.51 C ATOM 1037 CE LYS A 68 -9.929 -10.243 -9.706 1.00 1.23 C ATOM 1038 NZ LYS A 68 -10.200 -8.814 -9.383 1.00 63.34 N ATOM 0 H LYS A 68 -5.166 -12.106 -7.882 1.00 0.02 H new ATOM 0 HA LYS A 68 -5.594 -9.814 -9.639 1.00 11.45 H new ATOM 0 HB2 LYS A 68 -6.752 -10.539 -6.917 1.00 10.10 H new ATOM 0 HB3 LYS A 68 -7.290 -9.218 -7.935 1.00 10.10 H new ATOM 0 HG2 LYS A 68 -7.322 -12.074 -8.937 1.00 1.31 H new ATOM 0 HG3 LYS A 68 -8.633 -11.439 -7.963 1.00 1.31 H new ATOM 0 HD2 LYS A 68 -7.927 -9.575 -10.100 1.00 2.51 H new ATOM 0 HD3 LYS A 68 -8.292 -11.160 -10.750 1.00 2.51 H new ATOM 0 HE2 LYS A 68 -10.462 -10.517 -10.617 1.00 1.23 H new ATOM 0 HE3 LYS A 68 -10.317 -10.876 -8.908 1.00 1.23 H new ATOM 0 HZ1 LYS A 68 -11.224 -8.672 -9.267 1.00 63.34 H new ATOM 0 HZ2 LYS A 68 -9.713 -8.559 -8.500 1.00 63.34 H new ATOM 0 HZ3 LYS A 68 -9.853 -8.211 -10.156 1.00 63.34 H new ATOM 1052 N ASN A 69 -3.669 -9.738 -7.065 1.00 63.52 N ATOM 1053 CA ASN A 69 -2.747 -8.918 -6.288 1.00 42.23 C ATOM 1054 C ASN A 69 -1.500 -8.582 -7.101 1.00 70.31 C ATOM 1055 O ASN A 69 -0.777 -7.637 -6.787 1.00 2.31 O ATOM 1056 CB ASN A 69 -2.350 -9.641 -5.000 1.00 2.55 C ATOM 1057 CG ASN A 69 -3.495 -10.439 -4.408 1.00 73.32 C ATOM 1058 OD1 ASN A 69 -3.353 -11.626 -4.115 1.00 63.42 O ATOM 1059 ND2 ASN A 69 -4.640 -9.789 -4.230 1.00 63.44 N ATOM 0 H ASN A 69 -3.544 -10.743 -6.944 1.00 63.52 H new ATOM 0 HA ASN A 69 -3.254 -7.988 -6.033 1.00 42.23 H new ATOM 0 HB2 ASN A 69 -1.513 -10.309 -5.205 1.00 2.55 H new ATOM 0 HB3 ASN A 69 -2.004 -8.911 -4.269 1.00 2.55 H new ATOM 0 HD21 ASN A 69 -5.446 -10.274 -3.836 1.00 63.44 H new ATOM 0 HD22 ASN A 69 -4.713 -8.805 -4.487 1.00 63.44 H new ATOM 1066 N PHE A 70 -1.255 -9.363 -8.148 1.00 60.30 N ATOM 1067 CA PHE A 70 -0.096 -9.150 -9.006 1.00 44.34 C ATOM 1068 C PHE A 70 -0.514 -8.550 -10.346 1.00 23.02 C ATOM 1069 O PHE A 70 0.035 -7.539 -10.784 1.00 12.35 O ATOM 1070 CB PHE A 70 0.646 -10.468 -9.235 1.00 23.34 C ATOM 1071 CG PHE A 70 1.410 -10.943 -8.031 1.00 54.41 C ATOM 1072 CD1 PHE A 70 0.789 -11.711 -7.059 1.00 51.50 C ATOM 1073 CD2 PHE A 70 2.748 -10.621 -7.872 1.00 71.21 C ATOM 1074 CE1 PHE A 70 1.489 -12.148 -5.950 1.00 52.53 C ATOM 1075 CE2 PHE A 70 3.453 -11.056 -6.766 1.00 2.34 C ATOM 1076 CZ PHE A 70 2.823 -11.821 -5.804 1.00 51.20 C ATOM 0 H PHE A 70 -1.844 -10.149 -8.422 1.00 60.30 H new ATOM 0 HA PHE A 70 0.571 -8.448 -8.505 1.00 44.34 H new ATOM 0 HB2 PHE A 70 -0.073 -11.235 -9.525 1.00 23.34 H new ATOM 0 HB3 PHE A 70 1.337 -10.347 -10.069 1.00 23.34 H new ATOM 0 HD1 PHE A 70 -0.253 -11.971 -7.169 1.00 51.50 H new ATOM 0 HD2 PHE A 70 3.246 -10.023 -8.621 1.00 71.21 H new ATOM 0 HE1 PHE A 70 0.993 -12.745 -5.198 1.00 52.53 H new ATOM 0 HE2 PHE A 70 4.496 -10.798 -6.654 1.00 2.34 H new ATOM 0 HZ PHE A 70 3.372 -12.163 -4.939 1.00 51.20 H new ATOM 1086 N SER A 71 -1.488 -9.182 -10.992 1.00 14.11 N ATOM 1087 CA SER A 71 -1.978 -8.714 -12.283 1.00 62.34 C ATOM 1088 C SER A 71 -3.407 -8.193 -12.167 1.00 31.44 C ATOM 1089 O SER A 71 -4.089 -8.438 -11.172 1.00 34.42 O ATOM 1090 CB SER A 71 -1.917 -9.843 -13.315 1.00 0.24 C ATOM 1091 OG SER A 71 -2.008 -9.334 -14.634 1.00 14.41 O ATOM 0 H SER A 71 -1.954 -10.020 -10.643 1.00 14.11 H new ATOM 0 HA SER A 71 -1.338 -7.895 -12.611 1.00 62.34 H new ATOM 0 HB2 SER A 71 -0.985 -10.396 -13.199 1.00 0.24 H new ATOM 0 HB3 SER A 71 -2.730 -10.547 -13.137 1.00 0.24 H new ATOM 0 HG SER A 71 -1.965 -10.075 -15.274 1.00 14.41 H new ATOM 1097 N SER A 72 -3.853 -7.473 -13.191 1.00 12.03 N ATOM 1098 CA SER A 72 -5.200 -6.913 -13.203 1.00 23.44 C ATOM 1099 C SER A 72 -5.990 -7.425 -14.403 1.00 31.20 C ATOM 1100 O SER A 72 -6.964 -6.805 -14.829 1.00 52.30 O ATOM 1101 CB SER A 72 -5.139 -5.385 -13.231 1.00 53.14 C ATOM 1102 OG SER A 72 -4.565 -4.920 -14.441 1.00 0.04 O ATOM 0 H SER A 72 -3.302 -7.263 -14.023 1.00 12.03 H new ATOM 0 HA SER A 72 -5.708 -7.232 -12.293 1.00 23.44 H new ATOM 0 HB2 SER A 72 -6.143 -4.976 -13.120 1.00 53.14 H new ATOM 0 HB3 SER A 72 -4.553 -5.026 -12.385 1.00 53.14 H new ATOM 0 HG SER A 72 -4.539 -3.940 -14.435 1.00 0.04 H new ATOM 1108 N SER A 73 -5.563 -8.562 -14.944 1.00 1.32 N ATOM 1109 CA SER A 73 -6.227 -9.156 -16.098 1.00 33.33 C ATOM 1110 C SER A 73 -6.717 -10.565 -15.776 1.00 53.11 C ATOM 1111 O SER A 73 -7.780 -10.984 -16.234 1.00 12.34 O ATOM 1112 CB SER A 73 -5.277 -9.196 -17.296 1.00 2.12 C ATOM 1113 OG SER A 73 -5.983 -9.443 -18.499 1.00 70.41 O ATOM 0 H SER A 73 -4.760 -9.090 -14.601 1.00 1.32 H new ATOM 0 HA SER A 73 -7.089 -8.538 -16.348 1.00 33.33 H new ATOM 0 HB2 SER A 73 -4.743 -8.249 -17.372 1.00 2.12 H new ATOM 0 HB3 SER A 73 -4.528 -9.973 -17.144 1.00 2.12 H new ATOM 0 HG SER A 73 -5.353 -9.462 -19.250 1.00 70.41 H new ATOM 1119 N ALA A 74 -5.934 -11.291 -14.986 1.00 23.14 N ATOM 1120 CA ALA A 74 -6.287 -12.652 -14.600 1.00 55.35 C ATOM 1121 C ALA A 74 -7.475 -12.660 -13.643 1.00 64.24 C ATOM 1122 O ALA A 74 -7.342 -12.304 -12.472 1.00 55.14 O ATOM 1123 CB ALA A 74 -5.092 -13.349 -13.968 1.00 51.10 C ATOM 0 H ALA A 74 -5.050 -10.959 -14.600 1.00 23.14 H new ATOM 0 HA ALA A 74 -6.575 -13.195 -15.500 1.00 55.35 H new ATOM 0 HB1 ALA A 74 -5.371 -14.364 -13.685 1.00 51.10 H new ATOM 0 HB2 ALA A 74 -4.271 -13.384 -14.684 1.00 51.10 H new ATOM 0 HB3 ALA A 74 -4.777 -12.799 -13.081 1.00 51.10 H new ATOM 1129 N ARG A 75 -8.634 -13.068 -14.149 1.00 62.44 N ATOM 1130 CA ARG A 75 -9.845 -13.121 -13.339 1.00 62.13 C ATOM 1131 C ARG A 75 -9.566 -13.769 -11.986 1.00 60.12 C ATOM 1132 O ARG A 75 -9.538 -13.095 -10.957 1.00 11.52 O ATOM 1133 CB ARG A 75 -10.941 -13.897 -14.072 1.00 42.12 C ATOM 1134 CG ARG A 75 -10.406 -14.967 -15.010 1.00 53.44 C ATOM 1135 CD ARG A 75 -11.283 -16.209 -14.995 1.00 63.32 C ATOM 1136 NE ARG A 75 -11.462 -16.769 -16.332 1.00 52.22 N ATOM 1137 CZ ARG A 75 -12.277 -16.249 -17.243 1.00 41.43 C ATOM 1138 NH1 ARG A 75 -12.983 -15.162 -16.963 1.00 30.12 N ATOM 1139 NH2 ARG A 75 -12.386 -16.815 -18.438 1.00 71.22 N ATOM 0 H ARG A 75 -8.760 -13.367 -15.116 1.00 62.44 H new ATOM 0 HA ARG A 75 -10.184 -12.099 -13.170 1.00 62.13 H new ATOM 0 HB2 ARG A 75 -11.597 -14.365 -13.337 1.00 42.12 H new ATOM 0 HB3 ARG A 75 -11.550 -13.197 -14.643 1.00 42.12 H new ATOM 0 HG2 ARG A 75 -10.352 -14.570 -16.024 1.00 53.44 H new ATOM 0 HG3 ARG A 75 -9.390 -15.234 -14.718 1.00 53.44 H new ATOM 0 HD2 ARG A 75 -10.836 -16.960 -14.344 1.00 63.32 H new ATOM 0 HD3 ARG A 75 -12.257 -15.960 -14.573 1.00 63.32 H new ATOM 0 HE ARG A 75 -10.932 -17.605 -16.580 1.00 52.22 H new ATOM 0 HH11 ARG A 75 -12.901 -14.723 -16.046 1.00 30.12 H new ATOM 0 HH12 ARG A 75 -13.608 -14.765 -17.665 1.00 30.12 H new ATOM 0 HH21 ARG A 75 -11.844 -17.650 -18.658 1.00 71.22 H new ATOM 0 HH22 ARG A 75 -13.012 -16.415 -19.137 1.00 71.22 H new ATOM 1153 N VAL A 76 -9.361 -15.082 -11.996 1.00 23.41 N ATOM 1154 CA VAL A 76 -9.084 -15.822 -10.770 1.00 44.03 C ATOM 1155 C VAL A 76 -8.322 -17.109 -11.065 1.00 63.14 C ATOM 1156 O VAL A 76 -8.338 -17.609 -12.191 1.00 43.12 O ATOM 1157 CB VAL A 76 -10.382 -16.168 -10.018 1.00 32.12 C ATOM 1158 CG1 VAL A 76 -10.881 -14.965 -9.232 1.00 23.24 C ATOM 1159 CG2 VAL A 76 -11.445 -16.659 -10.989 1.00 15.42 C ATOM 0 H VAL A 76 -9.381 -15.655 -12.839 1.00 23.41 H new ATOM 0 HA VAL A 76 -8.470 -15.176 -10.142 1.00 44.03 H new ATOM 0 HB VAL A 76 -10.169 -16.970 -9.311 1.00 32.12 H new ATOM 0 HG11 VAL A 76 -11.799 -15.229 -8.707 1.00 23.24 H new ATOM 0 HG12 VAL A 76 -10.123 -14.663 -8.509 1.00 23.24 H new ATOM 0 HG13 VAL A 76 -11.078 -14.140 -9.916 1.00 23.24 H new ATOM 0 HG21 VAL A 76 -12.356 -16.899 -10.440 1.00 15.42 H new ATOM 0 HG22 VAL A 76 -11.657 -15.880 -11.721 1.00 15.42 H new ATOM 0 HG23 VAL A 76 -11.085 -17.551 -11.502 1.00 15.42 H new ATOM 1169 N LEU A 77 -7.655 -17.642 -10.047 1.00 72.04 N ATOM 1170 CA LEU A 77 -6.887 -18.873 -10.197 1.00 5.13 C ATOM 1171 C LEU A 77 -7.731 -19.968 -10.841 1.00 50.50 C ATOM 1172 O LEU A 77 -8.958 -19.870 -10.895 1.00 65.34 O ATOM 1173 CB LEU A 77 -6.372 -19.344 -8.835 1.00 72.54 C ATOM 1174 CG LEU A 77 -5.472 -18.365 -8.082 1.00 10.31 C ATOM 1175 CD1 LEU A 77 -4.703 -19.083 -6.983 1.00 54.34 C ATOM 1176 CD2 LEU A 77 -4.514 -17.674 -9.042 1.00 31.23 C ATOM 0 H LEU A 77 -7.631 -17.241 -9.109 1.00 72.04 H new ATOM 0 HA LEU A 77 -6.038 -18.665 -10.848 1.00 5.13 H new ATOM 0 HB2 LEU A 77 -7.231 -19.575 -8.205 1.00 72.54 H new ATOM 0 HB3 LEU A 77 -5.822 -20.274 -8.979 1.00 72.54 H new ATOM 0 HG LEU A 77 -6.102 -17.605 -7.619 1.00 10.31 H new ATOM 0 HD11 LEU A 77 -4.068 -18.370 -6.458 1.00 54.34 H new ATOM 0 HD12 LEU A 77 -5.406 -19.530 -6.279 1.00 54.34 H new ATOM 0 HD13 LEU A 77 -4.084 -19.865 -7.423 1.00 54.34 H new ATOM 0 HD21 LEU A 77 -3.881 -16.981 -8.488 1.00 31.23 H new ATOM 0 HD22 LEU A 77 -3.891 -18.421 -9.534 1.00 31.23 H new ATOM 0 HD23 LEU A 77 -5.083 -17.125 -9.792 1.00 31.23 H new ATOM 1188 N THR A 78 -7.067 -21.012 -11.327 1.00 43.52 N ATOM 1189 CA THR A 78 -7.756 -22.125 -11.967 1.00 25.33 C ATOM 1190 C THR A 78 -7.564 -23.416 -11.179 1.00 3.05 C ATOM 1191 O THR A 78 -7.062 -23.399 -10.055 1.00 22.43 O ATOM 1192 CB THR A 78 -7.259 -22.339 -13.409 1.00 61.40 C ATOM 1193 OG1 THR A 78 -6.158 -23.255 -13.417 1.00 74.43 O ATOM 1194 CG2 THR A 78 -6.832 -21.021 -14.036 1.00 13.42 C ATOM 0 H THR A 78 -6.052 -21.110 -11.289 1.00 43.52 H new ATOM 0 HA THR A 78 -8.815 -21.870 -11.990 1.00 25.33 H new ATOM 0 HB THR A 78 -8.080 -22.753 -13.995 1.00 61.40 H new ATOM 0 HG1 THR A 78 -5.849 -23.387 -14.338 1.00 74.43 H new ATOM 0 HG21 THR A 78 -6.485 -21.198 -15.054 1.00 13.42 H new ATOM 0 HG22 THR A 78 -7.680 -20.336 -14.055 1.00 13.42 H new ATOM 0 HG23 THR A 78 -6.025 -20.583 -13.449 1.00 13.42 H new ATOM 1202 N SER A 79 -7.966 -24.534 -11.775 1.00 41.41 N ATOM 1203 CA SER A 79 -7.841 -25.834 -11.127 1.00 2.22 C ATOM 1204 C SER A 79 -6.403 -26.339 -11.195 1.00 3.54 C ATOM 1205 O SER A 79 -6.145 -27.454 -11.647 1.00 15.30 O ATOM 1206 CB SER A 79 -8.781 -26.847 -11.783 1.00 65.11 C ATOM 1207 OG SER A 79 -8.405 -27.095 -13.127 1.00 21.02 O ATOM 0 H SER A 79 -8.381 -24.565 -12.706 1.00 41.41 H new ATOM 0 HA SER A 79 -8.118 -25.718 -10.079 1.00 2.22 H new ATOM 0 HB2 SER A 79 -8.766 -27.780 -11.220 1.00 65.11 H new ATOM 0 HB3 SER A 79 -9.804 -26.472 -11.751 1.00 65.11 H new ATOM 0 HG SER A 79 -7.502 -27.475 -13.149 1.00 21.02 H new ATOM 1213 N ALA A 80 -5.469 -25.508 -10.742 1.00 21.55 N ATOM 1214 CA ALA A 80 -4.057 -25.870 -10.748 1.00 61.14 C ATOM 1215 C ALA A 80 -3.215 -24.809 -10.048 1.00 31.13 C ATOM 1216 O ALA A 80 -2.256 -25.129 -9.346 1.00 41.14 O ATOM 1217 CB ALA A 80 -3.571 -26.074 -12.176 1.00 13.11 C ATOM 0 H ALA A 80 -5.665 -24.580 -10.367 1.00 21.55 H new ATOM 0 HA ALA A 80 -3.945 -26.805 -10.200 1.00 61.14 H new ATOM 0 HB1 ALA A 80 -2.515 -26.344 -12.166 1.00 13.11 H new ATOM 0 HB2 ALA A 80 -4.145 -26.873 -12.645 1.00 13.11 H new ATOM 0 HB3 ALA A 80 -3.704 -25.151 -12.741 1.00 13.11 H new ATOM 1223 N GLU A 81 -3.581 -23.546 -10.243 1.00 45.11 N ATOM 1224 CA GLU A 81 -2.857 -22.438 -9.630 1.00 64.42 C ATOM 1225 C GLU A 81 -3.170 -22.342 -8.140 1.00 23.22 C ATOM 1226 O GLU A 81 -2.269 -22.198 -7.312 1.00 14.20 O ATOM 1227 CB GLU A 81 -3.213 -21.122 -10.323 1.00 45.44 C ATOM 1228 CG GLU A 81 -3.259 -21.224 -11.839 1.00 31.54 C ATOM 1229 CD GLU A 81 -2.917 -19.915 -12.523 1.00 73.31 C ATOM 1230 OE1 GLU A 81 -1.867 -19.329 -12.189 1.00 5.41 O ATOM 1231 OE2 GLU A 81 -3.700 -19.477 -13.392 1.00 22.31 O ATOM 0 H GLU A 81 -4.374 -23.265 -10.820 1.00 45.11 H new ATOM 0 HA GLU A 81 -1.790 -22.625 -9.748 1.00 64.42 H new ATOM 0 HB2 GLU A 81 -4.183 -20.781 -9.961 1.00 45.44 H new ATOM 0 HB3 GLU A 81 -2.483 -20.363 -10.040 1.00 45.44 H new ATOM 0 HG2 GLU A 81 -2.562 -21.995 -12.169 1.00 31.54 H new ATOM 0 HG3 GLU A 81 -4.255 -21.542 -12.148 1.00 31.54 H new ATOM 1238 N THR A 82 -4.454 -22.423 -7.804 1.00 43.34 N ATOM 1239 CA THR A 82 -4.887 -22.343 -6.415 1.00 71.22 C ATOM 1240 C THR A 82 -4.435 -23.567 -5.627 1.00 60.22 C ATOM 1241 O THR A 82 -4.064 -23.464 -4.458 1.00 12.33 O ATOM 1242 CB THR A 82 -6.419 -22.217 -6.311 1.00 3.41 C ATOM 1243 OG1 THR A 82 -6.963 -21.804 -7.569 1.00 40.15 O ATOM 1244 CG2 THR A 82 -6.807 -21.217 -5.232 1.00 41.54 C ATOM 0 H THR A 82 -5.212 -22.544 -8.476 1.00 43.34 H new ATOM 0 HA THR A 82 -4.426 -21.451 -5.991 1.00 71.22 H new ATOM 0 HB THR A 82 -6.825 -23.193 -6.043 1.00 3.41 H new ATOM 0 HG1 THR A 82 -7.937 -21.728 -7.495 1.00 40.15 H new ATOM 0 HG21 THR A 82 -7.893 -21.145 -5.177 1.00 41.54 H new ATOM 0 HG22 THR A 82 -6.416 -21.549 -4.270 1.00 41.54 H new ATOM 0 HG23 THR A 82 -6.390 -20.240 -5.475 1.00 41.54 H new ATOM 1252 N LYS A 83 -4.467 -24.727 -6.275 1.00 12.03 N ATOM 1253 CA LYS A 83 -4.059 -25.972 -5.636 1.00 23.33 C ATOM 1254 C LYS A 83 -2.547 -26.010 -5.435 1.00 31.43 C ATOM 1255 O LYS A 83 -2.064 -26.347 -4.354 1.00 64.24 O ATOM 1256 CB LYS A 83 -4.502 -27.171 -6.477 1.00 54.14 C ATOM 1257 CG LYS A 83 -5.993 -27.192 -6.767 1.00 72.13 C ATOM 1258 CD LYS A 83 -6.470 -28.587 -7.137 1.00 3.14 C ATOM 1259 CE LYS A 83 -7.983 -28.640 -7.275 1.00 74.14 C ATOM 1260 NZ LYS A 83 -8.455 -29.991 -7.687 1.00 34.32 N ATOM 0 H LYS A 83 -4.772 -24.830 -7.243 1.00 12.03 H new ATOM 0 HA LYS A 83 -4.540 -26.024 -4.659 1.00 23.33 H new ATOM 0 HB2 LYS A 83 -3.957 -27.164 -7.421 1.00 54.14 H new ATOM 0 HB3 LYS A 83 -4.228 -28.089 -5.958 1.00 54.14 H new ATOM 0 HG2 LYS A 83 -6.540 -26.840 -5.892 1.00 72.13 H new ATOM 0 HG3 LYS A 83 -6.216 -26.502 -7.581 1.00 72.13 H new ATOM 0 HD2 LYS A 83 -6.007 -28.894 -8.075 1.00 3.14 H new ATOM 0 HD3 LYS A 83 -6.148 -29.297 -6.375 1.00 3.14 H new ATOM 0 HE2 LYS A 83 -8.444 -28.368 -6.325 1.00 74.14 H new ATOM 0 HE3 LYS A 83 -8.307 -27.902 -8.009 1.00 74.14 H new ATOM 0 HZ1 LYS A 83 -9.492 -29.986 -7.770 1.00 34.32 H new ATOM 0 HZ2 LYS A 83 -8.035 -30.240 -8.605 1.00 34.32 H new ATOM 0 HZ3 LYS A 83 -8.168 -30.691 -6.974 1.00 34.32 H new ATOM 1274 N ALA A 84 -1.807 -25.662 -6.482 1.00 4.43 N ATOM 1275 CA ALA A 84 -0.350 -25.653 -6.418 1.00 54.24 C ATOM 1276 C ALA A 84 0.152 -24.556 -5.485 1.00 71.24 C ATOM 1277 O ALA A 84 1.338 -24.498 -5.162 1.00 3.05 O ATOM 1278 CB ALA A 84 0.237 -25.474 -7.810 1.00 63.25 C ATOM 0 H ALA A 84 -2.192 -25.383 -7.384 1.00 4.43 H new ATOM 0 HA ALA A 84 -0.022 -26.612 -6.017 1.00 54.24 H new ATOM 0 HB1 ALA A 84 1.325 -25.469 -7.748 1.00 63.25 H new ATOM 0 HB2 ALA A 84 -0.086 -26.295 -8.450 1.00 63.25 H new ATOM 0 HB3 ALA A 84 -0.107 -24.529 -8.231 1.00 63.25 H new ATOM 1284 N PHE A 85 -0.758 -23.688 -5.057 1.00 11.32 N ATOM 1285 CA PHE A 85 -0.407 -22.591 -4.162 1.00 24.20 C ATOM 1286 C PHE A 85 -0.849 -22.892 -2.733 1.00 75.11 C ATOM 1287 O PHE A 85 -0.080 -22.729 -1.785 1.00 71.30 O ATOM 1288 CB PHE A 85 -1.047 -21.287 -4.642 1.00 60.35 C ATOM 1289 CG PHE A 85 -0.568 -20.074 -3.897 1.00 73.24 C ATOM 1290 CD1 PHE A 85 0.665 -19.512 -4.183 1.00 2.52 C ATOM 1291 CD2 PHE A 85 -1.352 -19.497 -2.911 1.00 42.11 C ATOM 1292 CE1 PHE A 85 1.109 -18.395 -3.499 1.00 54.13 C ATOM 1293 CE2 PHE A 85 -0.914 -18.380 -2.225 1.00 21.14 C ATOM 1294 CZ PHE A 85 0.318 -17.829 -2.518 1.00 62.22 C ATOM 0 H PHE A 85 -1.744 -23.723 -5.315 1.00 11.32 H new ATOM 0 HA PHE A 85 0.677 -22.480 -4.173 1.00 24.20 H new ATOM 0 HB2 PHE A 85 -0.837 -21.158 -5.704 1.00 60.35 H new ATOM 0 HB3 PHE A 85 -2.129 -21.363 -4.538 1.00 60.35 H new ATOM 0 HD1 PHE A 85 1.287 -19.951 -4.949 1.00 2.52 H new ATOM 0 HD2 PHE A 85 -2.316 -19.925 -2.676 1.00 42.11 H new ATOM 0 HE1 PHE A 85 2.072 -17.966 -3.731 1.00 54.13 H new ATOM 0 HE2 PHE A 85 -1.535 -17.938 -1.460 1.00 21.14 H new ATOM 0 HZ PHE A 85 0.662 -16.957 -1.981 1.00 62.22 H new ATOM 1304 N LEU A 86 -2.095 -23.331 -2.586 1.00 65.33 N ATOM 1305 CA LEU A 86 -2.642 -23.655 -1.273 1.00 62.13 C ATOM 1306 C LEU A 86 -1.936 -24.867 -0.673 1.00 1.53 C ATOM 1307 O LEU A 86 -1.418 -24.806 0.442 1.00 51.01 O ATOM 1308 CB LEU A 86 -4.144 -23.926 -1.378 1.00 2.54 C ATOM 1309 CG LEU A 86 -4.979 -23.554 -0.152 1.00 54.32 C ATOM 1310 CD1 LEU A 86 -6.442 -23.388 -0.534 1.00 51.40 C ATOM 1311 CD2 LEU A 86 -4.827 -24.606 0.937 1.00 44.34 C ATOM 0 H LEU A 86 -2.745 -23.471 -3.360 1.00 65.33 H new ATOM 0 HA LEU A 86 -2.478 -22.800 -0.617 1.00 62.13 H new ATOM 0 HB2 LEU A 86 -4.533 -23.379 -2.237 1.00 2.54 H new ATOM 0 HB3 LEU A 86 -4.288 -24.987 -1.583 1.00 2.54 H new ATOM 0 HG LEU A 86 -4.615 -22.603 0.237 1.00 54.32 H new ATOM 0 HD11 LEU A 86 -7.021 -23.123 0.351 1.00 51.40 H new ATOM 0 HD12 LEU A 86 -6.536 -22.598 -1.279 1.00 51.40 H new ATOM 0 HD13 LEU A 86 -6.818 -24.324 -0.948 1.00 51.40 H new ATOM 0 HD21 LEU A 86 -5.428 -24.324 1.801 1.00 44.34 H new ATOM 0 HD22 LEU A 86 -5.164 -25.572 0.560 1.00 44.34 H new ATOM 0 HD23 LEU A 86 -3.780 -24.677 1.231 1.00 44.34 H new ATOM 1323 N ALA A 87 -1.918 -25.965 -1.420 1.00 62.14 N ATOM 1324 CA ALA A 87 -1.272 -27.189 -0.964 1.00 23.33 C ATOM 1325 C ALA A 87 0.233 -26.993 -0.814 1.00 0.14 C ATOM 1326 O ALA A 87 0.911 -27.788 -0.164 1.00 34.52 O ATOM 1327 CB ALA A 87 -1.563 -28.331 -1.926 1.00 55.24 C ATOM 0 H ALA A 87 -2.344 -26.032 -2.344 1.00 62.14 H new ATOM 0 HA ALA A 87 -1.679 -27.441 0.015 1.00 23.33 H new ATOM 0 HB1 ALA A 87 -1.074 -29.238 -1.572 1.00 55.24 H new ATOM 0 HB2 ALA A 87 -2.639 -28.496 -1.980 1.00 55.24 H new ATOM 0 HB3 ALA A 87 -1.185 -28.078 -2.916 1.00 55.24 H new ATOM 1333 N ALA A 88 0.749 -25.929 -1.419 1.00 45.34 N ATOM 1334 CA ALA A 88 2.174 -25.627 -1.352 1.00 20.53 C ATOM 1335 C ALA A 88 2.475 -24.649 -0.222 1.00 1.23 C ATOM 1336 O ALA A 88 3.571 -24.649 0.337 1.00 1.02 O ATOM 1337 CB ALA A 88 2.659 -25.067 -2.681 1.00 32.42 C ATOM 0 H ALA A 88 0.202 -25.261 -1.962 1.00 45.34 H new ATOM 0 HA ALA A 88 2.707 -26.555 -1.146 1.00 20.53 H new ATOM 0 HB1 ALA A 88 3.724 -24.846 -2.616 1.00 32.42 H new ATOM 0 HB2 ALA A 88 2.488 -25.800 -3.469 1.00 32.42 H new ATOM 0 HB3 ALA A 88 2.113 -24.153 -2.912 1.00 32.42 H new ATOM 1343 N GLY A 89 1.494 -23.814 0.110 1.00 64.34 N ATOM 1344 CA GLY A 89 1.675 -22.841 1.171 1.00 21.30 C ATOM 1345 C GLY A 89 1.119 -23.320 2.497 1.00 33.12 C ATOM 1346 O GLY A 89 1.864 -23.508 3.459 1.00 13.02 O ATOM 0 H GLY A 89 0.578 -23.795 -0.337 1.00 64.34 H new ATOM 0 HA2 GLY A 89 2.737 -22.623 1.283 1.00 21.30 H new ATOM 0 HA3 GLY A 89 1.186 -21.908 0.891 1.00 21.30 H new ATOM 1350 N ASP A 90 -0.194 -23.516 2.550 1.00 71.41 N ATOM 1351 CA ASP A 90 -0.850 -23.976 3.769 1.00 53.44 C ATOM 1352 C ASP A 90 -0.169 -25.227 4.314 1.00 75.12 C ATOM 1353 O ASP A 90 -0.367 -26.329 3.800 1.00 11.04 O ATOM 1354 CB ASP A 90 -2.329 -24.260 3.501 1.00 51.11 C ATOM 1355 CG ASP A 90 -2.940 -25.178 4.541 1.00 3.15 C ATOM 1356 OD1 ASP A 90 -2.923 -24.814 5.736 1.00 74.12 O ATOM 1357 OD2 ASP A 90 -3.433 -26.261 4.162 1.00 51.34 O ATOM 0 H ASP A 90 -0.825 -23.364 1.763 1.00 71.41 H new ATOM 0 HA ASP A 90 -0.769 -23.186 4.516 1.00 53.44 H new ATOM 0 HB2 ASP A 90 -2.879 -23.319 3.483 1.00 51.11 H new ATOM 0 HB3 ASP A 90 -2.436 -24.711 2.515 1.00 51.11 H new ATOM 1362 N THR A 91 0.635 -25.050 5.358 1.00 71.25 N ATOM 1363 CA THR A 91 1.347 -26.164 5.971 1.00 10.12 C ATOM 1364 C THR A 91 0.981 -26.306 7.444 1.00 3.42 C ATOM 1365 O THR A 91 0.718 -27.408 7.925 1.00 54.11 O ATOM 1366 CB THR A 91 2.873 -25.992 5.847 1.00 74.11 C ATOM 1367 OG1 THR A 91 3.240 -24.643 6.156 1.00 64.05 O ATOM 1368 CG2 THR A 91 3.344 -26.343 4.444 1.00 63.41 C ATOM 0 H THR A 91 0.809 -24.146 5.796 1.00 71.25 H new ATOM 0 HA THR A 91 1.046 -27.065 5.436 1.00 10.12 H new ATOM 0 HB THR A 91 3.352 -26.669 6.554 1.00 74.11 H new ATOM 0 HG1 THR A 91 2.993 -24.058 5.410 1.00 64.05 H new ATOM 0 HG21 THR A 91 4.424 -26.214 4.380 1.00 63.41 H new ATOM 0 HG22 THR A 91 3.088 -27.379 4.223 1.00 63.41 H new ATOM 0 HG23 THR A 91 2.857 -25.687 3.722 1.00 63.41 H new ATOM 1407 N GLY A 95 -6.105 -25.337 6.287 1.00 42.24 N ATOM 1408 CA GLY A 95 -6.507 -25.062 4.920 1.00 42.14 C ATOM 1409 C GLY A 95 -6.310 -23.608 4.539 1.00 60.15 C ATOM 1410 O GLY A 95 -6.554 -23.219 3.396 1.00 1.12 O ATOM 0 HA2 GLY A 95 -5.933 -25.693 4.242 1.00 42.14 H new ATOM 0 HA3 GLY A 95 -7.556 -25.329 4.792 1.00 42.14 H new ATOM 1414 N LYS A 96 -5.869 -22.801 5.498 1.00 63.34 N ATOM 1415 CA LYS A 96 -5.639 -21.381 5.258 1.00 33.43 C ATOM 1416 C LYS A 96 -4.147 -21.078 5.173 1.00 62.31 C ATOM 1417 O LYS A 96 -3.312 -21.944 5.438 1.00 12.23 O ATOM 1418 CB LYS A 96 -6.277 -20.546 6.371 1.00 73.14 C ATOM 1419 CG LYS A 96 -7.669 -21.013 6.759 1.00 14.24 C ATOM 1420 CD LYS A 96 -8.402 -19.962 7.578 1.00 65.34 C ATOM 1421 CE LYS A 96 -9.639 -20.540 8.247 1.00 53.12 C ATOM 1422 NZ LYS A 96 -10.775 -19.576 8.239 1.00 24.23 N ATOM 0 H LYS A 96 -5.664 -23.106 6.449 1.00 63.34 H new ATOM 0 HA LYS A 96 -6.099 -21.119 4.305 1.00 33.43 H new ATOM 0 HB2 LYS A 96 -5.634 -20.577 7.251 1.00 73.14 H new ATOM 0 HB3 LYS A 96 -6.328 -19.506 6.050 1.00 73.14 H new ATOM 0 HG2 LYS A 96 -8.242 -21.239 5.860 1.00 14.24 H new ATOM 0 HG3 LYS A 96 -7.597 -21.937 7.332 1.00 14.24 H new ATOM 0 HD2 LYS A 96 -7.732 -19.558 8.337 1.00 65.34 H new ATOM 0 HD3 LYS A 96 -8.690 -19.132 6.933 1.00 65.34 H new ATOM 0 HE2 LYS A 96 -9.935 -21.455 7.734 1.00 53.12 H new ATOM 0 HE3 LYS A 96 -9.402 -20.813 9.275 1.00 53.12 H new ATOM 0 HZ1 LYS A 96 -11.327 -19.683 9.114 1.00 24.23 H new ATOM 0 HZ2 LYS A 96 -10.406 -18.605 8.178 1.00 24.23 H new ATOM 0 HZ3 LYS A 96 -11.386 -19.766 7.419 1.00 24.23 H new ATOM 1436 N ILE A 97 -3.818 -19.845 4.803 1.00 75.24 N ATOM 1437 CA ILE A 97 -2.427 -19.428 4.685 1.00 24.43 C ATOM 1438 C ILE A 97 -2.212 -18.049 5.298 1.00 15.41 C ATOM 1439 O ILE A 97 -2.844 -17.073 4.893 1.00 22.35 O ATOM 1440 CB ILE A 97 -1.969 -19.401 3.215 1.00 30.40 C ATOM 1441 CG1 ILE A 97 -1.941 -20.819 2.641 1.00 62.41 C ATOM 1442 CG2 ILE A 97 -0.599 -18.750 3.098 1.00 14.55 C ATOM 1443 CD1 ILE A 97 -1.514 -20.876 1.191 1.00 41.32 C ATOM 0 H ILE A 97 -4.497 -19.117 4.580 1.00 75.24 H new ATOM 0 HA ILE A 97 -1.832 -20.161 5.229 1.00 24.43 H new ATOM 0 HB ILE A 97 -2.681 -18.809 2.639 1.00 30.40 H new ATOM 0 HG12 ILE A 97 -1.261 -21.430 3.236 1.00 62.41 H new ATOM 0 HG13 ILE A 97 -2.933 -21.261 2.737 1.00 62.41 H new ATOM 0 HG21 ILE A 97 -0.290 -18.739 2.053 1.00 14.55 H new ATOM 0 HG22 ILE A 97 -0.649 -17.728 3.473 1.00 14.55 H new ATOM 0 HG23 ILE A 97 0.124 -19.317 3.684 1.00 14.55 H new ATOM 0 HD11 ILE A 97 -1.517 -21.912 0.851 1.00 41.32 H new ATOM 0 HD12 ILE A 97 -2.207 -20.293 0.584 1.00 41.32 H new ATOM 0 HD13 ILE A 97 -0.510 -20.465 1.091 1.00 41.32 H new ATOM 1455 N GLY A 98 -1.315 -17.974 6.277 1.00 72.14 N ATOM 1456 CA GLY A 98 -1.032 -16.709 6.929 1.00 42.04 C ATOM 1457 C GLY A 98 0.221 -16.047 6.391 1.00 63.25 C ATOM 1458 O GLY A 98 0.302 -15.726 5.205 1.00 64.12 O ATOM 0 H GLY A 98 -0.779 -18.767 6.630 1.00 72.14 H new ATOM 0 HA2 GLY A 98 -1.880 -16.037 6.796 1.00 42.04 H new ATOM 0 HA3 GLY A 98 -0.921 -16.873 8.001 1.00 42.04 H new ATOM 1462 N VAL A 99 1.202 -15.841 7.264 1.00 14.13 N ATOM 1463 CA VAL A 99 2.457 -15.212 6.871 1.00 72.34 C ATOM 1464 C VAL A 99 3.577 -16.241 6.764 1.00 10.14 C ATOM 1465 O VAL A 99 4.210 -16.377 5.718 1.00 4.14 O ATOM 1466 CB VAL A 99 2.874 -14.117 7.870 1.00 54.10 C ATOM 1467 CG1 VAL A 99 2.741 -12.739 7.239 1.00 73.43 C ATOM 1468 CG2 VAL A 99 2.044 -14.212 9.141 1.00 35.32 C ATOM 0 H VAL A 99 1.151 -16.101 8.249 1.00 14.13 H new ATOM 0 HA VAL A 99 2.291 -14.757 5.895 1.00 72.34 H new ATOM 0 HB VAL A 99 3.920 -14.270 8.134 1.00 54.10 H new ATOM 0 HG11 VAL A 99 3.040 -11.978 7.960 1.00 73.43 H new ATOM 0 HG12 VAL A 99 3.383 -12.678 6.360 1.00 73.43 H new ATOM 0 HG13 VAL A 99 1.705 -12.572 6.944 1.00 73.43 H new ATOM 0 HG21 VAL A 99 2.352 -13.431 9.836 1.00 35.32 H new ATOM 0 HG22 VAL A 99 0.989 -14.085 8.897 1.00 35.32 H new ATOM 0 HG23 VAL A 99 2.195 -15.188 9.602 1.00 35.32 H new ATOM 1478 N GLU A 100 3.815 -16.963 7.855 1.00 70.32 N ATOM 1479 CA GLU A 100 4.860 -17.980 7.884 1.00 72.14 C ATOM 1480 C GLU A 100 4.733 -18.924 6.691 1.00 21.24 C ATOM 1481 O GLU A 100 5.710 -19.191 5.992 1.00 32.12 O ATOM 1482 CB GLU A 100 4.791 -18.777 9.188 1.00 4.53 C ATOM 1483 CG GLU A 100 5.966 -18.524 10.118 1.00 3.40 C ATOM 1484 CD GLU A 100 6.247 -19.697 11.036 1.00 34.24 C ATOM 1485 OE1 GLU A 100 5.625 -19.766 12.117 1.00 15.33 O ATOM 1486 OE2 GLU A 100 7.088 -20.547 10.675 1.00 54.50 O ATOM 0 H GLU A 100 3.299 -16.863 8.729 1.00 70.32 H new ATOM 0 HA GLU A 100 5.824 -17.475 7.826 1.00 72.14 H new ATOM 0 HB2 GLU A 100 3.866 -18.527 9.708 1.00 4.53 H new ATOM 0 HB3 GLU A 100 4.747 -19.840 8.952 1.00 4.53 H new ATOM 0 HG2 GLU A 100 6.855 -18.311 9.524 1.00 3.40 H new ATOM 0 HG3 GLU A 100 5.764 -17.637 10.719 1.00 3.40 H new ATOM 1493 N GLU A 101 3.523 -19.426 6.467 1.00 33.24 N ATOM 1494 CA GLU A 101 3.269 -20.342 5.361 1.00 12.41 C ATOM 1495 C GLU A 101 3.546 -19.666 4.021 1.00 13.32 C ATOM 1496 O GLU A 101 3.890 -20.325 3.040 1.00 13.00 O ATOM 1497 CB GLU A 101 1.823 -20.840 5.404 1.00 32.11 C ATOM 1498 CG GLU A 101 1.459 -21.540 6.703 1.00 54.23 C ATOM 1499 CD GLU A 101 -0.015 -21.415 7.039 1.00 23.22 C ATOM 1500 OE1 GLU A 101 -0.411 -20.368 7.591 1.00 53.30 O ATOM 1501 OE2 GLU A 101 -0.771 -22.366 6.750 1.00 31.10 O ATOM 0 H GLU A 101 2.704 -19.214 7.036 1.00 33.24 H new ATOM 0 HA GLU A 101 3.942 -21.193 5.465 1.00 12.41 H new ATOM 0 HB2 GLU A 101 1.152 -19.994 5.256 1.00 32.11 H new ATOM 0 HB3 GLU A 101 1.659 -21.526 4.573 1.00 32.11 H new ATOM 0 HG2 GLU A 101 1.723 -22.595 6.629 1.00 54.23 H new ATOM 0 HG3 GLU A 101 2.050 -21.119 7.516 1.00 54.23 H new ATOM 1508 N PHE A 102 3.392 -18.346 3.988 1.00 25.11 N ATOM 1509 CA PHE A 102 3.624 -17.580 2.769 1.00 1.11 C ATOM 1510 C PHE A 102 5.116 -17.485 2.462 1.00 53.23 C ATOM 1511 O PHE A 102 5.585 -18.006 1.450 1.00 3.44 O ATOM 1512 CB PHE A 102 3.029 -16.177 2.903 1.00 51.34 C ATOM 1513 CG PHE A 102 3.065 -15.386 1.626 1.00 72.41 C ATOM 1514 CD1 PHE A 102 2.135 -15.619 0.625 1.00 13.55 C ATOM 1515 CD2 PHE A 102 4.029 -14.412 1.426 1.00 40.41 C ATOM 1516 CE1 PHE A 102 2.165 -14.893 -0.551 1.00 13.25 C ATOM 1517 CE2 PHE A 102 4.064 -13.683 0.252 1.00 13.54 C ATOM 1518 CZ PHE A 102 3.131 -13.924 -0.738 1.00 22.24 C ATOM 0 H PHE A 102 3.108 -17.785 4.791 1.00 25.11 H new ATOM 0 HA PHE A 102 3.134 -18.098 1.945 1.00 1.11 H new ATOM 0 HB2 PHE A 102 1.996 -16.260 3.241 1.00 51.34 H new ATOM 0 HB3 PHE A 102 3.574 -15.632 3.674 1.00 51.34 H new ATOM 0 HD1 PHE A 102 1.378 -16.377 0.765 1.00 13.55 H new ATOM 0 HD2 PHE A 102 4.762 -14.220 2.196 1.00 40.41 H new ATOM 0 HE1 PHE A 102 1.434 -15.083 -1.323 1.00 13.25 H new ATOM 0 HE2 PHE A 102 4.820 -12.925 0.109 1.00 13.54 H new ATOM 0 HZ PHE A 102 3.157 -13.356 -1.656 1.00 22.24 H new ATOM 1528 N GLN A 103 5.854 -16.816 3.342 1.00 55.54 N ATOM 1529 CA GLN A 103 7.291 -16.651 3.164 1.00 44.23 C ATOM 1530 C GLN A 103 7.977 -18.002 2.993 1.00 61.31 C ATOM 1531 O GLN A 103 8.956 -18.124 2.256 1.00 33.22 O ATOM 1532 CB GLN A 103 7.893 -15.908 4.358 1.00 15.20 C ATOM 1533 CG GLN A 103 7.544 -16.531 5.700 1.00 24.01 C ATOM 1534 CD GLN A 103 8.348 -15.943 6.843 1.00 41.51 C ATOM 1535 OE1 GLN A 103 9.332 -16.531 7.292 1.00 2.44 O ATOM 1536 NE2 GLN A 103 7.932 -14.775 7.320 1.00 64.03 N ATOM 0 H GLN A 103 5.480 -16.380 4.185 1.00 55.54 H new ATOM 0 HA GLN A 103 7.454 -16.064 2.260 1.00 44.23 H new ATOM 0 HB2 GLN A 103 8.977 -15.882 4.250 1.00 15.20 H new ATOM 0 HB3 GLN A 103 7.546 -14.875 4.345 1.00 15.20 H new ATOM 0 HG2 GLN A 103 6.481 -16.388 5.897 1.00 24.01 H new ATOM 0 HG3 GLN A 103 7.718 -17.606 5.654 1.00 24.01 H new ATOM 0 HE21 GLN A 103 7.111 -14.323 6.917 1.00 64.03 H new ATOM 0 HE22 GLN A 103 8.434 -14.330 8.089 1.00 64.03 H new ATOM 1545 N SER A 104 7.457 -19.015 3.679 1.00 61.10 N ATOM 1546 CA SER A 104 8.022 -20.357 3.606 1.00 20.54 C ATOM 1547 C SER A 104 7.818 -20.959 2.219 1.00 12.41 C ATOM 1548 O SER A 104 8.416 -21.980 1.878 1.00 41.33 O ATOM 1549 CB SER A 104 7.384 -21.260 4.665 1.00 44.14 C ATOM 1550 OG SER A 104 7.971 -22.550 4.656 1.00 42.35 O ATOM 0 H SER A 104 6.646 -18.932 4.291 1.00 61.10 H new ATOM 0 HA SER A 104 9.093 -20.284 3.797 1.00 20.54 H new ATOM 0 HB2 SER A 104 7.503 -20.810 5.651 1.00 44.14 H new ATOM 0 HB3 SER A 104 6.313 -21.343 4.479 1.00 44.14 H new ATOM 0 HG SER A 104 8.320 -22.744 3.761 1.00 42.35 H new ATOM 1556 N LEU A 105 6.969 -20.318 1.423 1.00 33.11 N ATOM 1557 CA LEU A 105 6.684 -20.788 0.072 1.00 61.13 C ATOM 1558 C LEU A 105 7.350 -19.893 -0.968 1.00 3.41 C ATOM 1559 O LEU A 105 7.895 -20.375 -1.961 1.00 73.30 O ATOM 1560 CB LEU A 105 5.174 -20.830 -0.167 1.00 53.13 C ATOM 1561 CG LEU A 105 4.729 -21.095 -1.606 1.00 30.40 C ATOM 1562 CD1 LEU A 105 3.406 -21.846 -1.626 1.00 4.11 C ATOM 1563 CD2 LEU A 105 4.615 -19.789 -2.379 1.00 32.35 C ATOM 0 H LEU A 105 6.466 -19.472 1.690 1.00 33.11 H new ATOM 0 HA LEU A 105 7.090 -21.795 -0.029 1.00 61.13 H new ATOM 0 HB2 LEU A 105 4.747 -21.602 0.472 1.00 53.13 H new ATOM 0 HB3 LEU A 105 4.749 -19.879 0.154 1.00 53.13 H new ATOM 0 HG LEU A 105 5.483 -21.715 -2.090 1.00 30.40 H new ATOM 0 HD11 LEU A 105 3.105 -22.026 -2.658 1.00 4.11 H new ATOM 0 HD12 LEU A 105 3.521 -22.799 -1.110 1.00 4.11 H new ATOM 0 HD13 LEU A 105 2.643 -21.252 -1.124 1.00 4.11 H new ATOM 0 HD21 LEU A 105 4.297 -19.997 -3.401 1.00 32.35 H new ATOM 0 HD22 LEU A 105 3.882 -19.143 -1.896 1.00 32.35 H new ATOM 0 HD23 LEU A 105 5.584 -19.290 -2.395 1.00 32.35 H new ATOM 1575 N VAL A 106 7.305 -18.585 -0.731 1.00 63.35 N ATOM 1576 CA VAL A 106 7.907 -17.622 -1.645 1.00 44.04 C ATOM 1577 C VAL A 106 9.421 -17.794 -1.707 1.00 31.42 C ATOM 1578 O VAL A 106 10.021 -17.735 -2.780 1.00 50.02 O ATOM 1579 CB VAL A 106 7.583 -16.175 -1.229 1.00 40.12 C ATOM 1580 CG1 VAL A 106 8.128 -15.190 -2.252 1.00 73.04 C ATOM 1581 CG2 VAL A 106 6.083 -15.996 -1.051 1.00 10.13 C ATOM 0 H VAL A 106 6.858 -18.169 0.086 1.00 63.35 H new ATOM 0 HA VAL A 106 7.482 -17.813 -2.630 1.00 44.04 H new ATOM 0 HB VAL A 106 8.066 -15.973 -0.273 1.00 40.12 H new ATOM 0 HG11 VAL A 106 7.889 -14.173 -1.941 1.00 73.04 H new ATOM 0 HG12 VAL A 106 9.210 -15.303 -2.325 1.00 73.04 H new ATOM 0 HG13 VAL A 106 7.676 -15.388 -3.224 1.00 73.04 H new ATOM 0 HG21 VAL A 106 5.872 -14.968 -0.757 1.00 10.13 H new ATOM 0 HG22 VAL A 106 5.576 -16.216 -1.991 1.00 10.13 H new ATOM 0 HG23 VAL A 106 5.725 -16.675 -0.278 1.00 10.13 H new ATOM 1591 N LYS A 107 10.034 -18.009 -0.548 1.00 12.15 N ATOM 1592 CA LYS A 107 11.478 -18.192 -0.468 1.00 21.24 C ATOM 1593 C LYS A 107 11.917 -19.412 -1.272 1.00 1.41 C ATOM 1594 O LYS A 107 13.091 -19.551 -1.614 1.00 71.31 O ATOM 1595 CB LYS A 107 11.913 -18.347 0.991 1.00 3.24 C ATOM 1596 CG LYS A 107 11.850 -17.053 1.785 1.00 21.43 C ATOM 1597 CD LYS A 107 13.151 -16.789 2.525 1.00 33.33 C ATOM 1598 CE LYS A 107 14.163 -16.080 1.638 1.00 34.32 C ATOM 1599 NZ LYS A 107 14.941 -17.040 0.808 1.00 61.52 N ATOM 0 H LYS A 107 9.552 -18.061 0.350 1.00 12.15 H new ATOM 0 HA LYS A 107 11.955 -17.308 -0.891 1.00 21.24 H new ATOM 0 HB2 LYS A 107 11.279 -19.091 1.473 1.00 3.24 H new ATOM 0 HB3 LYS A 107 12.933 -18.731 1.019 1.00 3.24 H new ATOM 0 HG2 LYS A 107 11.638 -16.222 1.112 1.00 21.43 H new ATOM 0 HG3 LYS A 107 11.028 -17.103 2.499 1.00 21.43 H new ATOM 0 HD2 LYS A 107 12.952 -16.182 3.408 1.00 33.33 H new ATOM 0 HD3 LYS A 107 13.570 -17.733 2.874 1.00 33.33 H new ATOM 0 HE2 LYS A 107 13.645 -15.375 0.988 1.00 34.32 H new ATOM 0 HE3 LYS A 107 14.846 -15.500 2.258 1.00 34.32 H new ATOM 0 HZ1 LYS A 107 15.777 -16.561 0.415 1.00 61.52 H new ATOM 0 HZ2 LYS A 107 15.246 -17.841 1.397 1.00 61.52 H new ATOM 0 HZ3 LYS A 107 14.345 -17.389 0.031 1.00 61.52 H new ATOM 1613 N ALA A 108 10.967 -20.291 -1.572 1.00 15.24 N ATOM 1614 CA ALA A 108 11.255 -21.496 -2.339 1.00 21.12 C ATOM 1615 C ALA A 108 10.993 -21.277 -3.825 1.00 5.41 C ATOM 1616 O ALA A 108 11.655 -21.872 -4.676 1.00 65.00 O ATOM 1617 CB ALA A 108 10.426 -22.662 -1.821 1.00 72.14 C ATOM 0 H ALA A 108 9.990 -20.191 -1.295 1.00 15.24 H new ATOM 0 HA ALA A 108 12.312 -21.732 -2.214 1.00 21.12 H new ATOM 0 HB1 ALA A 108 10.651 -23.556 -2.403 1.00 72.14 H new ATOM 0 HB2 ALA A 108 10.666 -22.842 -0.773 1.00 72.14 H new ATOM 0 HB3 ALA A 108 9.366 -22.425 -1.915 1.00 72.14 H new