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 Set 1.1: A 38 LYS NZ :NH3+ -151:sc= 0 (180deg=0) USER MOD Set 1.2: A 42 GLN : amide:sc= -1.11 K(o=-1.1,f=-1.8) USER MOD Set 2.1: A 32 THR OG1 : rot -9:sc= 0.678 USER MOD Set 2.2: A 36 SER OG : rot 180:sc= 0.0354 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 -22:sc= 0.299 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.06 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= -0.686 K(o=-0.69,f=-2.2!) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= -0.36 (180deg=-1.26!) USER MOD Single : A 69 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.11) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -45:sc= 1.13 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.385 USER MOD Single : A 79 SER OG : rot 63:sc= 0.195 USER MOD Single : A 82 THR OG1 : rot 80:sc= -0.35 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 51:sc= -0.277 USER MOD Single : A 96 LYS NZ :NH3+ -147:sc= 0.518 (180deg=0.217) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot -25:sc= 0.217 USER MOD Single : A 107 LYS NZ :NH3+ 138:sc= 1.07 (180deg=0.022) USER MOD ----------------------------------------------------------------- ATOM 11 N ILE A 2 2.216 -2.023 -3.262 1.00 11.34 N ATOM 12 CA ILE A 2 3.192 -3.103 -3.323 1.00 61.42 C ATOM 13 C ILE A 2 4.525 -2.610 -3.876 1.00 53.41 C ATOM 14 O ILE A 2 5.568 -3.227 -3.658 1.00 72.12 O ATOM 15 CB ILE A 2 2.688 -4.269 -4.195 1.00 13.34 C ATOM 16 CG1 ILE A 2 3.636 -5.465 -4.084 1.00 15.34 C ATOM 17 CG2 ILE A 2 2.552 -3.826 -5.644 1.00 21.21 C ATOM 18 CD1 ILE A 2 3.759 -6.009 -2.678 1.00 22.22 C ATOM 0 HA ILE A 2 3.334 -3.457 -2.302 1.00 61.42 H new ATOM 0 HB ILE A 2 1.705 -4.574 -3.835 1.00 13.34 H new ATOM 0 HG12 ILE A 2 3.285 -6.259 -4.743 1.00 15.34 H new ATOM 0 HG13 ILE A 2 4.624 -5.170 -4.439 1.00 15.34 H new ATOM 0 HG21 ILE A 2 2.195 -4.660 -6.248 1.00 21.21 H new ATOM 0 HG22 ILE A 2 1.841 -3.002 -5.707 1.00 21.21 H new ATOM 0 HG23 ILE A 2 3.522 -3.498 -6.017 1.00 21.21 H new ATOM 0 HD11 ILE A 2 4.446 -6.855 -2.674 1.00 22.22 H new ATOM 0 HD12 ILE A 2 4.139 -5.229 -2.018 1.00 22.22 H new ATOM 0 HD13 ILE A 2 2.780 -6.335 -2.327 1.00 22.22 H new ATOM 30 N THR A 3 4.484 -1.490 -4.592 1.00 71.23 N ATOM 31 CA THR A 3 5.688 -0.912 -5.176 1.00 74.22 C ATOM 32 C THR A 3 6.649 -0.434 -4.094 1.00 32.21 C ATOM 33 O THR A 3 7.859 -0.370 -4.310 1.00 1.43 O ATOM 34 CB THR A 3 5.350 0.269 -6.105 1.00 52.30 C ATOM 35 OG1 THR A 3 4.592 1.252 -5.391 1.00 52.43 O ATOM 36 CG2 THR A 3 4.562 -0.204 -7.318 1.00 3.44 C ATOM 0 H THR A 3 3.630 -0.966 -4.781 1.00 71.23 H new ATOM 0 HA THR A 3 6.165 -1.699 -5.760 1.00 74.22 H new ATOM 0 HB THR A 3 6.285 0.711 -6.449 1.00 52.30 H new ATOM 0 HG1 THR A 3 4.382 2.000 -5.988 1.00 52.43 H new ATOM 0 HG21 THR A 3 4.335 0.648 -7.959 1.00 3.44 H new ATOM 0 HG22 THR A 3 5.153 -0.930 -7.875 1.00 3.44 H new ATOM 0 HG23 THR A 3 3.632 -0.669 -6.989 1.00 3.44 H new ATOM 44 N ASP A 4 6.103 -0.101 -2.930 1.00 32.14 N ATOM 45 CA ASP A 4 6.913 0.370 -1.812 1.00 31.50 C ATOM 46 C ASP A 4 7.905 -0.702 -1.371 1.00 1.01 C ATOM 47 O ASP A 4 8.886 -0.409 -0.686 1.00 71.33 O ATOM 48 CB ASP A 4 6.018 0.768 -0.638 1.00 33.24 C ATOM 49 CG ASP A 4 5.434 2.158 -0.800 1.00 31.51 C ATOM 50 OD1 ASP A 4 4.719 2.387 -1.797 1.00 50.44 O ATOM 51 OD2 ASP A 4 5.693 3.016 0.070 1.00 33.52 O ATOM 0 H ASP A 4 5.103 -0.148 -2.736 1.00 32.14 H new ATOM 0 HA ASP A 4 7.473 1.244 -2.144 1.00 31.50 H new ATOM 0 HB2 ASP A 4 5.208 0.046 -0.542 1.00 33.24 H new ATOM 0 HB3 ASP A 4 6.595 0.725 0.286 1.00 33.24 H new ATOM 56 N ILE A 5 7.643 -1.943 -1.766 1.00 55.04 N ATOM 57 CA ILE A 5 8.512 -3.057 -1.412 1.00 24.43 C ATOM 58 C ILE A 5 9.120 -3.698 -2.655 1.00 72.11 C ATOM 59 O ILE A 5 10.329 -3.926 -2.722 1.00 54.43 O ATOM 60 CB ILE A 5 7.752 -4.133 -0.613 1.00 43.21 C ATOM 61 CG1 ILE A 5 6.568 -3.508 0.126 1.00 14.24 C ATOM 62 CG2 ILE A 5 8.688 -4.826 0.366 1.00 63.25 C ATOM 63 CD1 ILE A 5 5.820 -4.486 1.005 1.00 11.34 C ATOM 0 H ILE A 5 6.835 -2.202 -2.332 1.00 55.04 H new ATOM 0 HA ILE A 5 9.309 -2.649 -0.790 1.00 24.43 H new ATOM 0 HB ILE A 5 7.369 -4.879 -1.309 1.00 43.21 H new ATOM 0 HG12 ILE A 5 6.928 -2.682 0.740 1.00 14.24 H new ATOM 0 HG13 ILE A 5 5.877 -3.085 -0.603 1.00 14.24 H new ATOM 0 HG21 ILE A 5 8.136 -5.583 0.923 1.00 63.25 H new ATOM 0 HG22 ILE A 5 9.502 -5.300 -0.182 1.00 63.25 H new ATOM 0 HG23 ILE A 5 9.097 -4.092 1.060 1.00 63.25 H new ATOM 0 HD11 ILE A 5 4.994 -3.974 1.498 1.00 11.34 H new ATOM 0 HD12 ILE A 5 5.430 -5.300 0.394 1.00 11.34 H new ATOM 0 HD13 ILE A 5 6.497 -4.890 1.758 1.00 11.34 H new ATOM 75 N LEU A 6 8.274 -3.985 -3.639 1.00 25.54 N ATOM 76 CA LEU A 6 8.728 -4.599 -4.882 1.00 53.54 C ATOM 77 C LEU A 6 8.938 -3.544 -5.964 1.00 70.02 C ATOM 78 O LEU A 6 8.730 -2.353 -5.733 1.00 3.01 O ATOM 79 CB LEU A 6 7.714 -5.640 -5.360 1.00 21.14 C ATOM 80 CG LEU A 6 8.047 -7.097 -5.037 1.00 71.34 C ATOM 81 CD1 LEU A 6 8.416 -7.249 -3.570 1.00 2.31 C ATOM 82 CD2 LEU A 6 6.876 -8.003 -5.391 1.00 12.53 C ATOM 0 H LEU A 6 7.271 -3.803 -3.600 1.00 25.54 H new ATOM 0 HA LEU A 6 9.681 -5.091 -4.689 1.00 53.54 H new ATOM 0 HB2 LEU A 6 6.745 -5.403 -4.920 1.00 21.14 H new ATOM 0 HB3 LEU A 6 7.606 -5.544 -6.440 1.00 21.14 H new ATOM 0 HG LEU A 6 8.906 -7.394 -5.638 1.00 71.34 H new ATOM 0 HD11 LEU A 6 8.650 -8.293 -3.360 1.00 2.31 H new ATOM 0 HD12 LEU A 6 9.286 -6.631 -3.348 1.00 2.31 H new ATOM 0 HD13 LEU A 6 7.578 -6.933 -2.949 1.00 2.31 H new ATOM 0 HD21 LEU A 6 7.131 -9.036 -5.154 1.00 12.53 H new ATOM 0 HD22 LEU A 6 5.999 -7.705 -4.817 1.00 12.53 H new ATOM 0 HD23 LEU A 6 6.659 -7.918 -6.456 1.00 12.53 H new ATOM 94 N SER A 7 9.349 -3.991 -7.147 1.00 3.43 N ATOM 95 CA SER A 7 9.589 -3.085 -8.264 1.00 62.34 C ATOM 96 C SER A 7 8.682 -3.425 -9.443 1.00 61.21 C ATOM 97 O SER A 7 8.582 -4.582 -9.850 1.00 34.34 O ATOM 98 CB SER A 7 11.055 -3.153 -8.698 1.00 32.41 C ATOM 99 OG SER A 7 11.842 -2.217 -7.982 1.00 63.53 O ATOM 0 H SER A 7 9.522 -4.974 -7.356 1.00 3.43 H new ATOM 0 HA SER A 7 9.362 -2.072 -7.933 1.00 62.34 H new ATOM 0 HB2 SER A 7 11.440 -4.159 -8.533 1.00 32.41 H new ATOM 0 HB3 SER A 7 11.131 -2.954 -9.767 1.00 32.41 H new ATOM 0 HG SER A 7 12.775 -2.281 -8.276 1.00 63.53 H new ATOM 105 N ALA A 8 8.023 -2.407 -9.987 1.00 62.33 N ATOM 106 CA ALA A 8 7.126 -2.597 -11.120 1.00 52.52 C ATOM 107 C ALA A 8 7.827 -3.327 -12.260 1.00 62.40 C ATOM 108 O ALA A 8 7.291 -4.283 -12.822 1.00 24.14 O ATOM 109 CB ALA A 8 6.592 -1.255 -11.600 1.00 71.13 C ATOM 0 H ALA A 8 8.094 -1.443 -9.661 1.00 62.33 H new ATOM 0 HA ALA A 8 6.289 -3.213 -10.790 1.00 52.52 H new ATOM 0 HB1 ALA A 8 5.923 -1.411 -12.447 1.00 71.13 H new ATOM 0 HB2 ALA A 8 6.046 -0.770 -10.791 1.00 71.13 H new ATOM 0 HB3 ALA A 8 7.424 -0.621 -11.907 1.00 71.13 H new ATOM 115 N LYS A 9 9.029 -2.872 -12.598 1.00 53.21 N ATOM 116 CA LYS A 9 9.805 -3.482 -13.671 1.00 31.11 C ATOM 117 C LYS A 9 10.110 -4.944 -13.358 1.00 54.35 C ATOM 118 O LYS A 9 10.458 -5.719 -14.249 1.00 43.00 O ATOM 119 CB LYS A 9 11.110 -2.713 -13.885 1.00 42.43 C ATOM 120 CG LYS A 9 11.615 -2.759 -15.317 1.00 4.40 C ATOM 121 CD LYS A 9 10.691 -2.006 -16.259 1.00 53.00 C ATOM 122 CE LYS A 9 11.427 -1.534 -17.504 1.00 11.05 C ATOM 123 NZ LYS A 9 11.637 -2.641 -18.477 1.00 74.02 N ATOM 0 H LYS A 9 9.487 -2.082 -12.144 1.00 53.21 H new ATOM 0 HA LYS A 9 9.211 -3.440 -14.584 1.00 31.11 H new ATOM 0 HB2 LYS A 9 10.961 -1.673 -13.594 1.00 42.43 H new ATOM 0 HB3 LYS A 9 11.875 -3.122 -13.225 1.00 42.43 H new ATOM 0 HG2 LYS A 9 12.615 -2.328 -15.365 1.00 4.40 H new ATOM 0 HG3 LYS A 9 11.699 -3.796 -15.641 1.00 4.40 H new ATOM 0 HD2 LYS A 9 9.861 -2.651 -16.548 1.00 53.00 H new ATOM 0 HD3 LYS A 9 10.263 -1.148 -15.741 1.00 53.00 H new ATOM 0 HE2 LYS A 9 10.859 -0.735 -17.980 1.00 11.05 H new ATOM 0 HE3 LYS A 9 12.391 -1.114 -17.218 1.00 11.05 H new ATOM 0 HZ1 LYS A 9 12.142 -2.279 -19.311 1.00 74.02 H new ATOM 0 HZ2 LYS A 9 12.200 -3.393 -18.031 1.00 74.02 H new ATOM 0 HZ3 LYS A 9 10.716 -3.026 -18.769 1.00 74.02 H new ATOM 137 N ASP A 10 9.974 -5.313 -12.090 1.00 23.23 N ATOM 138 CA ASP A 10 10.233 -6.683 -11.661 1.00 13.25 C ATOM 139 C ASP A 10 8.929 -7.460 -11.508 1.00 13.53 C ATOM 140 O ASP A 10 8.910 -8.687 -11.609 1.00 4.41 O ATOM 141 CB ASP A 10 11.002 -6.689 -10.339 1.00 24.12 C ATOM 142 CG ASP A 10 12.457 -7.077 -10.518 1.00 30.12 C ATOM 143 OD1 ASP A 10 12.723 -8.069 -11.228 1.00 31.34 O ATOM 144 OD2 ASP A 10 13.330 -6.389 -9.947 1.00 55.04 O ATOM 0 H ASP A 10 9.686 -4.684 -11.341 1.00 23.23 H new ATOM 0 HA ASP A 10 10.838 -7.169 -12.427 1.00 13.25 H new ATOM 0 HB2 ASP A 10 10.946 -5.700 -9.885 1.00 24.12 H new ATOM 0 HB3 ASP A 10 10.526 -7.385 -9.648 1.00 24.12 H new ATOM 149 N ILE A 11 7.841 -6.737 -11.263 1.00 11.03 N ATOM 150 CA ILE A 11 6.533 -7.359 -11.096 1.00 0.41 C ATOM 151 C ILE A 11 5.934 -7.749 -12.443 1.00 10.41 C ATOM 152 O ILE A 11 5.521 -8.890 -12.642 1.00 33.43 O ATOM 153 CB ILE A 11 5.554 -6.422 -10.363 1.00 60.41 C ATOM 154 CG1 ILE A 11 6.062 -6.121 -8.952 1.00 3.12 C ATOM 155 CG2 ILE A 11 4.166 -7.043 -10.311 1.00 22.43 C ATOM 156 CD1 ILE A 11 5.616 -4.776 -8.423 1.00 52.33 C ATOM 0 H ILE A 11 7.839 -5.721 -11.176 1.00 11.03 H new ATOM 0 HA ILE A 11 6.684 -8.256 -10.495 1.00 0.41 H new ATOM 0 HB ILE A 11 5.491 -5.483 -10.914 1.00 60.41 H new ATOM 0 HG12 ILE A 11 5.715 -6.902 -8.275 1.00 3.12 H new ATOM 0 HG13 ILE A 11 7.151 -6.160 -8.951 1.00 3.12 H new ATOM 0 HG21 ILE A 11 3.485 -6.370 -9.790 1.00 22.43 H new ATOM 0 HG22 ILE A 11 3.804 -7.211 -11.325 1.00 22.43 H new ATOM 0 HG23 ILE A 11 4.212 -7.994 -9.780 1.00 22.43 H new ATOM 0 HD11 ILE A 11 6.013 -4.630 -7.418 1.00 52.33 H new ATOM 0 HD12 ILE A 11 5.986 -3.987 -9.077 1.00 52.33 H new ATOM 0 HD13 ILE A 11 4.527 -4.740 -8.391 1.00 52.33 H new ATOM 168 N GLU A 12 5.892 -6.792 -13.365 1.00 64.13 N ATOM 169 CA GLU A 12 5.345 -7.037 -14.694 1.00 53.33 C ATOM 170 C GLU A 12 6.251 -7.969 -15.493 1.00 70.11 C ATOM 171 O GLU A 12 5.793 -8.683 -16.386 1.00 3.34 O ATOM 172 CB GLU A 12 5.163 -5.717 -15.446 1.00 50.43 C ATOM 173 CG GLU A 12 4.361 -4.682 -14.675 1.00 32.12 C ATOM 174 CD GLU A 12 4.093 -3.429 -15.485 1.00 51.30 C ATOM 175 OE1 GLU A 12 3.807 -3.553 -16.694 1.00 54.10 O ATOM 176 OE2 GLU A 12 4.169 -2.323 -14.909 1.00 64.10 O ATOM 0 H GLU A 12 6.230 -5.841 -13.216 1.00 64.13 H new ATOM 0 HA GLU A 12 4.374 -7.517 -14.576 1.00 53.33 H new ATOM 0 HB2 GLU A 12 6.144 -5.304 -15.680 1.00 50.43 H new ATOM 0 HB3 GLU A 12 4.666 -5.915 -16.396 1.00 50.43 H new ATOM 0 HG2 GLU A 12 3.412 -5.120 -14.366 1.00 32.12 H new ATOM 0 HG3 GLU A 12 4.900 -4.414 -13.766 1.00 32.12 H new ATOM 183 N SER A 13 7.539 -7.956 -15.166 1.00 22.33 N ATOM 184 CA SER A 13 8.511 -8.797 -15.855 1.00 4.23 C ATOM 185 C SER A 13 8.493 -10.217 -15.298 1.00 75.33 C ATOM 186 O SER A 13 9.094 -11.127 -15.868 1.00 50.05 O ATOM 187 CB SER A 13 9.915 -8.203 -15.722 1.00 22.53 C ATOM 188 OG SER A 13 10.858 -8.950 -16.472 1.00 34.12 O ATOM 0 H SER A 13 7.934 -7.373 -14.428 1.00 22.33 H new ATOM 0 HA SER A 13 8.238 -8.836 -16.910 1.00 4.23 H new ATOM 0 HB2 SER A 13 9.910 -7.169 -16.066 1.00 22.53 H new ATOM 0 HB3 SER A 13 10.209 -8.189 -14.673 1.00 22.53 H new ATOM 0 HG SER A 13 10.510 -9.852 -16.630 1.00 34.12 H new ATOM 194 N ALA A 14 7.797 -10.399 -14.180 1.00 41.15 N ATOM 195 CA ALA A 14 7.697 -11.708 -13.547 1.00 43.10 C ATOM 196 C ALA A 14 6.387 -12.397 -13.913 1.00 51.51 C ATOM 197 O ALA A 14 6.228 -13.601 -13.708 1.00 40.32 O ATOM 198 CB ALA A 14 7.821 -11.574 -12.036 1.00 65.15 C ATOM 0 H ALA A 14 7.294 -9.656 -13.694 1.00 41.15 H new ATOM 0 HA ALA A 14 8.516 -12.325 -13.915 1.00 43.10 H new ATOM 0 HB1 ALA A 14 7.745 -12.559 -11.576 1.00 65.15 H new ATOM 0 HB2 ALA A 14 8.786 -11.132 -11.788 1.00 65.15 H new ATOM 0 HB3 ALA A 14 7.022 -10.935 -11.661 1.00 65.15 H new ATOM 455 N THR A 32 13.668 -13.244 -10.899 1.00 51.52 N ATOM 456 CA THR A 32 12.287 -13.078 -10.463 1.00 23.04 C ATOM 457 C THR A 32 12.029 -11.654 -9.984 1.00 20.02 C ATOM 458 O THR A 32 12.954 -10.850 -9.866 1.00 62.42 O ATOM 459 CB THR A 32 11.935 -14.060 -9.330 1.00 32.33 C ATOM 460 OG1 THR A 32 13.131 -14.520 -8.690 1.00 73.12 O ATOM 461 CG2 THR A 32 11.152 -15.249 -9.868 1.00 4.32 C ATOM 0 HA THR A 32 11.655 -13.288 -11.326 1.00 23.04 H new ATOM 0 HB THR A 32 11.314 -13.535 -8.604 1.00 32.33 H new ATOM 0 HG1 THR A 32 13.911 -14.229 -9.207 1.00 73.12 H new ATOM 0 HG21 THR A 32 10.915 -15.929 -9.050 1.00 4.32 H new ATOM 0 HG22 THR A 32 10.228 -14.898 -10.328 1.00 4.32 H new ATOM 0 HG23 THR A 32 11.752 -15.773 -10.612 1.00 4.32 H new ATOM 469 N VAL A 33 10.765 -11.347 -9.708 1.00 24.41 N ATOM 470 CA VAL A 33 10.386 -10.020 -9.240 1.00 15.13 C ATOM 471 C VAL A 33 11.255 -9.581 -8.067 1.00 44.01 C ATOM 472 O VAL A 33 11.525 -8.394 -7.890 1.00 54.45 O ATOM 473 CB VAL A 33 8.907 -9.978 -8.812 1.00 14.44 C ATOM 474 CG1 VAL A 33 8.587 -11.137 -7.880 1.00 53.12 C ATOM 475 CG2 VAL A 33 8.581 -8.647 -8.151 1.00 5.43 C ATOM 0 H VAL A 33 9.987 -12.000 -9.801 1.00 24.41 H new ATOM 0 HA VAL A 33 10.536 -9.335 -10.075 1.00 15.13 H new ATOM 0 HB VAL A 33 8.287 -10.077 -9.703 1.00 14.44 H new ATOM 0 HG11 VAL A 33 7.538 -11.090 -7.588 1.00 53.12 H new ATOM 0 HG12 VAL A 33 8.780 -12.080 -8.392 1.00 53.12 H new ATOM 0 HG13 VAL A 33 9.214 -11.073 -6.991 1.00 53.12 H new ATOM 0 HG21 VAL A 33 7.532 -8.635 -7.855 1.00 5.43 H new ATOM 0 HG22 VAL A 33 9.208 -8.515 -7.269 1.00 5.43 H new ATOM 0 HG23 VAL A 33 8.769 -7.836 -8.854 1.00 5.43 H new ATOM 485 N GLY A 34 11.693 -10.549 -7.267 1.00 42.32 N ATOM 486 CA GLY A 34 12.529 -10.242 -6.121 1.00 31.30 C ATOM 487 C GLY A 34 11.959 -10.787 -4.826 1.00 44.21 C ATOM 488 O GLY A 34 12.695 -11.024 -3.867 1.00 13.34 O ATOM 0 H GLY A 34 11.484 -11.539 -7.392 1.00 42.32 H new ATOM 0 HA2 GLY A 34 13.524 -10.657 -6.280 1.00 31.30 H new ATOM 0 HA3 GLY A 34 12.644 -9.161 -6.038 1.00 31.30 H new ATOM 492 N LEU A 35 10.646 -10.985 -4.796 1.00 41.34 N ATOM 493 CA LEU A 35 9.977 -11.503 -3.608 1.00 62.53 C ATOM 494 C LEU A 35 10.625 -12.803 -3.142 1.00 62.44 C ATOM 495 O LEU A 35 10.942 -12.963 -1.964 1.00 34.24 O ATOM 496 CB LEU A 35 8.492 -11.734 -3.895 1.00 24.52 C ATOM 497 CG LEU A 35 7.512 -11.099 -2.908 1.00 72.25 C ATOM 498 CD1 LEU A 35 6.100 -11.608 -3.157 1.00 2.31 C ATOM 499 CD2 LEU A 35 7.938 -11.382 -1.475 1.00 61.34 C ATOM 0 H LEU A 35 10.023 -10.795 -5.581 1.00 41.34 H new ATOM 0 HA LEU A 35 10.076 -10.764 -2.813 1.00 62.53 H new ATOM 0 HB2 LEU A 35 8.271 -11.352 -4.892 1.00 24.52 H new ATOM 0 HB3 LEU A 35 8.309 -12.808 -3.917 1.00 24.52 H new ATOM 0 HG LEU A 35 7.520 -10.020 -3.061 1.00 72.25 H new ATOM 0 HD11 LEU A 35 5.416 -11.146 -2.446 1.00 2.31 H new ATOM 0 HD12 LEU A 35 5.795 -11.353 -4.172 1.00 2.31 H new ATOM 0 HD13 LEU A 35 6.076 -12.691 -3.032 1.00 2.31 H new ATOM 0 HD21 LEU A 35 7.229 -10.922 -0.787 1.00 61.34 H new ATOM 0 HD22 LEU A 35 7.960 -12.459 -1.308 1.00 61.34 H new ATOM 0 HD23 LEU A 35 8.931 -10.968 -1.302 1.00 61.34 H new ATOM 511 N SER A 36 10.822 -13.729 -4.076 1.00 55.43 N ATOM 512 CA SER A 36 11.431 -15.015 -3.761 1.00 74.52 C ATOM 513 C SER A 36 12.881 -14.837 -3.321 1.00 75.02 C ATOM 514 O SER A 36 13.484 -15.746 -2.751 1.00 11.44 O ATOM 515 CB SER A 36 11.365 -15.945 -4.974 1.00 73.43 C ATOM 516 OG SER A 36 11.551 -15.225 -6.180 1.00 44.21 O ATOM 0 H SER A 36 10.568 -13.612 -5.057 1.00 55.43 H new ATOM 0 HA SER A 36 10.872 -15.462 -2.938 1.00 74.52 H new ATOM 0 HB2 SER A 36 12.130 -16.717 -4.886 1.00 73.43 H new ATOM 0 HB3 SER A 36 10.401 -16.452 -4.995 1.00 73.43 H new ATOM 0 HG SER A 36 11.506 -15.842 -6.940 1.00 44.21 H new ATOM 522 N SER A 37 13.433 -13.659 -3.591 1.00 45.21 N ATOM 523 CA SER A 37 14.814 -13.361 -3.227 1.00 52.11 C ATOM 524 C SER A 37 14.876 -12.206 -2.232 1.00 30.33 C ATOM 525 O SER A 37 15.910 -11.554 -2.083 1.00 34.25 O ATOM 526 CB SER A 37 15.630 -13.018 -4.475 1.00 31.01 C ATOM 527 OG SER A 37 16.985 -13.400 -4.319 1.00 25.25 O ATOM 0 H SER A 37 12.946 -12.895 -4.060 1.00 45.21 H new ATOM 0 HA SER A 37 15.239 -14.247 -2.756 1.00 52.11 H new ATOM 0 HB2 SER A 37 15.204 -13.523 -5.342 1.00 31.01 H new ATOM 0 HB3 SER A 37 15.571 -11.947 -4.669 1.00 31.01 H new ATOM 0 HG SER A 37 17.485 -13.172 -5.130 1.00 25.25 H new ATOM 533 N LYS A 38 13.761 -11.959 -1.552 1.00 44.21 N ATOM 534 CA LYS A 38 13.687 -10.884 -0.569 1.00 74.33 C ATOM 535 C LYS A 38 14.094 -11.383 0.814 1.00 55.33 C ATOM 536 O LYS A 38 14.404 -12.561 0.995 1.00 54.34 O ATOM 537 CB LYS A 38 12.269 -10.309 -0.519 1.00 44.11 C ATOM 538 CG LYS A 38 12.073 -9.097 -1.413 1.00 2.42 C ATOM 539 CD LYS A 38 12.717 -7.855 -0.818 1.00 65.54 C ATOM 540 CE LYS A 38 12.680 -6.687 -1.792 1.00 23.50 C ATOM 541 NZ LYS A 38 13.687 -5.646 -1.447 1.00 51.41 N ATOM 0 H LYS A 38 12.896 -12.489 -1.664 1.00 44.21 H new ATOM 0 HA LYS A 38 14.381 -10.099 -0.871 1.00 74.33 H new ATOM 0 HB2 LYS A 38 11.561 -11.084 -0.812 1.00 44.11 H new ATOM 0 HB3 LYS A 38 12.033 -10.034 0.509 1.00 44.11 H new ATOM 0 HG2 LYS A 38 12.502 -9.295 -2.395 1.00 2.42 H new ATOM 0 HG3 LYS A 38 11.007 -8.921 -1.560 1.00 2.42 H new ATOM 0 HD2 LYS A 38 12.199 -7.580 0.101 1.00 65.54 H new ATOM 0 HD3 LYS A 38 13.750 -8.073 -0.549 1.00 65.54 H new ATOM 0 HE2 LYS A 38 12.865 -7.051 -2.803 1.00 23.50 H new ATOM 0 HE3 LYS A 38 11.684 -6.244 -1.790 1.00 23.50 H new ATOM 0 HZ1 LYS A 38 13.347 -4.715 -1.763 1.00 51.41 H new ATOM 0 HZ2 LYS A 38 13.831 -5.630 -0.417 1.00 51.41 H new ATOM 0 HZ3 LYS A 38 14.587 -5.864 -1.920 1.00 51.41 H new ATOM 555 N THR A 39 14.089 -10.479 1.789 1.00 41.23 N ATOM 556 CA THR A 39 14.457 -10.827 3.155 1.00 3.32 C ATOM 557 C THR A 39 13.255 -11.350 3.932 1.00 13.34 C ATOM 558 O THR A 39 12.103 -11.044 3.621 1.00 24.31 O ATOM 559 CB THR A 39 15.051 -9.617 3.902 1.00 34.44 C ATOM 560 OG1 THR A 39 16.343 -9.949 4.423 1.00 34.22 O ATOM 561 CG2 THR A 39 14.137 -9.182 5.038 1.00 41.51 C ATOM 0 H THR A 39 13.834 -9.500 1.657 1.00 41.23 H new ATOM 0 HA THR A 39 15.212 -11.611 3.089 1.00 3.32 H new ATOM 0 HB THR A 39 15.146 -8.792 3.196 1.00 34.44 H new ATOM 0 HG1 THR A 39 16.714 -9.174 4.895 1.00 34.22 H new ATOM 0 HG21 THR A 39 14.576 -8.327 5.551 1.00 41.51 H new ATOM 0 HG22 THR A 39 13.163 -8.903 4.635 1.00 41.51 H new ATOM 0 HG23 THR A 39 14.016 -10.005 5.743 1.00 41.51 H new ATOM 569 N PRO A 40 13.525 -12.157 4.969 1.00 13.22 N ATOM 570 CA PRO A 40 12.477 -12.738 5.813 1.00 31.34 C ATOM 571 C PRO A 40 11.785 -11.693 6.681 1.00 13.22 C ATOM 572 O PRO A 40 11.999 -11.637 7.892 1.00 31.02 O ATOM 573 CB PRO A 40 13.239 -13.738 6.687 1.00 61.35 C ATOM 574 CG PRO A 40 14.634 -13.217 6.730 1.00 11.34 C ATOM 575 CD PRO A 40 14.874 -12.563 5.397 1.00 33.25 C ATOM 0 HA PRO A 40 11.680 -13.188 5.221 1.00 31.34 H new ATOM 0 HB2 PRO A 40 12.808 -13.799 7.686 1.00 61.35 H new ATOM 0 HB3 PRO A 40 13.204 -14.742 6.263 1.00 61.35 H new ATOM 0 HG2 PRO A 40 14.758 -12.502 7.543 1.00 11.34 H new ATOM 0 HG3 PRO A 40 15.347 -14.024 6.903 1.00 11.34 H new ATOM 0 HD2 PRO A 40 15.543 -11.707 5.484 1.00 33.25 H new ATOM 0 HD3 PRO A 40 15.330 -13.253 4.687 1.00 33.25 H new ATOM 583 N ASP A 41 10.954 -10.867 6.055 1.00 43.43 N ATOM 584 CA ASP A 41 10.229 -9.823 6.770 1.00 21.35 C ATOM 585 C ASP A 41 9.316 -9.050 5.825 1.00 55.03 C ATOM 586 O ASP A 41 8.164 -8.767 6.153 1.00 32.03 O ATOM 587 CB ASP A 41 11.209 -8.865 7.450 1.00 62.53 C ATOM 588 CG ASP A 41 10.719 -8.403 8.808 1.00 42.33 C ATOM 589 OD1 ASP A 41 9.643 -7.772 8.866 1.00 20.34 O ATOM 590 OD2 ASP A 41 11.412 -8.670 9.812 1.00 64.13 O ATOM 0 H ASP A 41 10.766 -10.900 5.053 1.00 43.43 H new ATOM 0 HA ASP A 41 9.613 -10.301 7.532 1.00 21.35 H new ATOM 0 HB2 ASP A 41 12.174 -9.358 7.564 1.00 62.53 H new ATOM 0 HB3 ASP A 41 11.368 -7.997 6.810 1.00 62.53 H new ATOM 595 N GLN A 42 9.838 -8.711 4.651 1.00 43.32 N ATOM 596 CA GLN A 42 9.070 -7.968 3.659 1.00 73.43 C ATOM 597 C GLN A 42 8.079 -8.881 2.943 1.00 12.15 C ATOM 598 O GLN A 42 7.060 -8.422 2.425 1.00 5.02 O ATOM 599 CB GLN A 42 10.007 -7.316 2.641 1.00 55.42 C ATOM 600 CG GLN A 42 11.169 -6.570 3.275 1.00 2.51 C ATOM 601 CD GLN A 42 12.222 -6.162 2.264 1.00 43.33 C ATOM 602 OE1 GLN A 42 13.209 -6.869 2.058 1.00 31.10 O ATOM 603 NE2 GLN A 42 12.018 -5.015 1.625 1.00 32.43 N ATOM 0 H GLN A 42 10.790 -8.939 4.363 1.00 43.32 H new ATOM 0 HA GLN A 42 8.511 -7.190 4.178 1.00 73.43 H new ATOM 0 HB2 GLN A 42 10.399 -8.085 1.976 1.00 55.42 H new ATOM 0 HB3 GLN A 42 9.434 -6.623 2.024 1.00 55.42 H new ATOM 0 HG2 GLN A 42 10.792 -5.681 3.780 1.00 2.51 H new ATOM 0 HG3 GLN A 42 11.628 -7.200 4.037 1.00 2.51 H new ATOM 0 HE21 GLN A 42 11.186 -4.460 1.826 1.00 32.43 H new ATOM 0 HE22 GLN A 42 12.693 -4.690 0.933 1.00 32.43 H new ATOM 612 N ILE A 43 8.384 -10.174 2.919 1.00 1.21 N ATOM 613 CA ILE A 43 7.520 -11.150 2.268 1.00 73.11 C ATOM 614 C ILE A 43 6.129 -11.156 2.893 1.00 73.12 C ATOM 615 O ILE A 43 5.127 -11.345 2.203 1.00 15.10 O ATOM 616 CB ILE A 43 8.112 -12.569 2.349 1.00 65.34 C ATOM 617 CG1 ILE A 43 9.477 -12.615 1.659 1.00 64.43 C ATOM 618 CG2 ILE A 43 7.161 -13.577 1.721 1.00 63.12 C ATOM 619 CD1 ILE A 43 10.183 -13.946 1.803 1.00 53.31 C ATOM 0 H ILE A 43 9.223 -10.570 3.343 1.00 1.21 H new ATOM 0 HA ILE A 43 7.445 -10.856 1.221 1.00 73.11 H new ATOM 0 HB ILE A 43 8.247 -12.831 3.398 1.00 65.34 H new ATOM 0 HG12 ILE A 43 9.347 -12.395 0.599 1.00 64.43 H new ATOM 0 HG13 ILE A 43 10.111 -11.830 2.072 1.00 64.43 H new ATOM 0 HG21 ILE A 43 7.594 -14.575 1.786 1.00 63.12 H new ATOM 0 HG22 ILE A 43 6.209 -13.559 2.252 1.00 63.12 H new ATOM 0 HG23 ILE A 43 6.998 -13.320 0.674 1.00 63.12 H new ATOM 0 HD11 ILE A 43 11.144 -13.906 1.290 1.00 53.31 H new ATOM 0 HD12 ILE A 43 10.345 -14.160 2.860 1.00 53.31 H new ATOM 0 HD13 ILE A 43 9.570 -14.733 1.364 1.00 53.31 H new ATOM 631 N LYS A 44 6.074 -10.946 4.204 1.00 62.32 N ATOM 632 CA LYS A 44 4.806 -10.924 4.923 1.00 4.05 C ATOM 633 C LYS A 44 4.005 -9.673 4.576 1.00 63.32 C ATOM 634 O LYS A 44 2.775 -9.704 4.530 1.00 44.04 O ATOM 635 CB LYS A 44 5.052 -10.982 6.433 1.00 41.11 C ATOM 636 CG LYS A 44 5.406 -9.637 7.044 1.00 42.05 C ATOM 637 CD LYS A 44 6.220 -9.799 8.316 1.00 31.45 C ATOM 638 CE LYS A 44 6.000 -8.636 9.271 1.00 15.11 C ATOM 639 NZ LYS A 44 6.722 -8.830 10.559 1.00 71.53 N ATOM 0 H LYS A 44 6.894 -10.789 4.790 1.00 62.32 H new ATOM 0 HA LYS A 44 4.230 -11.798 4.620 1.00 4.05 H new ATOM 0 HB2 LYS A 44 4.159 -11.371 6.923 1.00 41.11 H new ATOM 0 HB3 LYS A 44 5.859 -11.687 6.634 1.00 41.11 H new ATOM 0 HG2 LYS A 44 5.970 -9.046 6.323 1.00 42.05 H new ATOM 0 HG3 LYS A 44 4.492 -9.084 7.264 1.00 42.05 H new ATOM 0 HD2 LYS A 44 5.946 -10.732 8.808 1.00 31.45 H new ATOM 0 HD3 LYS A 44 7.278 -9.870 8.065 1.00 31.45 H new ATOM 0 HE2 LYS A 44 6.337 -7.712 8.801 1.00 15.11 H new ATOM 0 HE3 LYS A 44 4.934 -8.523 9.466 1.00 15.11 H new ATOM 0 HZ1 LYS A 44 6.546 -8.016 11.182 1.00 71.53 H new ATOM 0 HZ2 LYS A 44 6.382 -9.698 11.020 1.00 71.53 H new ATOM 0 HZ3 LYS A 44 7.743 -8.912 10.376 1.00 71.53 H new ATOM 653 N LYS A 45 4.710 -8.574 4.330 1.00 22.14 N ATOM 654 CA LYS A 45 4.066 -7.313 3.984 1.00 52.12 C ATOM 655 C LYS A 45 3.456 -7.379 2.587 1.00 21.22 C ATOM 656 O LYS A 45 2.648 -6.530 2.211 1.00 74.51 O ATOM 657 CB LYS A 45 5.074 -6.164 4.058 1.00 62.14 C ATOM 658 CG LYS A 45 5.253 -5.601 5.457 1.00 42.22 C ATOM 659 CD LYS A 45 4.277 -4.469 5.731 1.00 3.04 C ATOM 660 CE LYS A 45 2.940 -4.995 6.230 1.00 1.42 C ATOM 661 NZ LYS A 45 2.196 -3.967 7.010 1.00 40.11 N ATOM 0 H LYS A 45 5.729 -8.531 4.364 1.00 22.14 H new ATOM 0 HA LYS A 45 3.266 -7.133 4.703 1.00 52.12 H new ATOM 0 HB2 LYS A 45 6.039 -6.514 3.690 1.00 62.14 H new ATOM 0 HB3 LYS A 45 4.750 -5.364 3.392 1.00 62.14 H new ATOM 0 HG2 LYS A 45 5.107 -6.394 6.191 1.00 42.22 H new ATOM 0 HG3 LYS A 45 6.274 -5.239 5.577 1.00 42.22 H new ATOM 0 HD2 LYS A 45 4.702 -3.792 6.472 1.00 3.04 H new ATOM 0 HD3 LYS A 45 4.124 -3.890 4.820 1.00 3.04 H new ATOM 0 HE2 LYS A 45 2.336 -5.315 5.381 1.00 1.42 H new ATOM 0 HE3 LYS A 45 3.105 -5.874 6.853 1.00 1.42 H new ATOM 0 HZ1 LYS A 45 1.290 -4.364 7.332 1.00 40.11 H new ATOM 0 HZ2 LYS A 45 2.761 -3.680 7.834 1.00 40.11 H new ATOM 0 HZ3 LYS A 45 2.016 -3.138 6.408 1.00 40.11 H new ATOM 675 N VAL A 46 3.848 -8.394 1.823 1.00 51.32 N ATOM 676 CA VAL A 46 3.338 -8.572 0.469 1.00 72.23 C ATOM 677 C VAL A 46 2.126 -9.498 0.455 1.00 4.42 C ATOM 678 O VAL A 46 1.331 -9.484 -0.485 1.00 4.32 O ATOM 679 CB VAL A 46 4.418 -9.146 -0.467 1.00 45.52 C ATOM 680 CG1 VAL A 46 3.857 -9.358 -1.865 1.00 32.24 C ATOM 681 CG2 VAL A 46 5.631 -8.228 -0.505 1.00 3.00 C ATOM 0 H VAL A 46 4.517 -9.105 2.119 1.00 51.32 H new ATOM 0 HA VAL A 46 3.043 -7.586 0.110 1.00 72.23 H new ATOM 0 HB VAL A 46 4.734 -10.114 -0.078 1.00 45.52 H new ATOM 0 HG11 VAL A 46 4.635 -9.764 -2.512 1.00 32.24 H new ATOM 0 HG12 VAL A 46 3.022 -10.057 -1.820 1.00 32.24 H new ATOM 0 HG13 VAL A 46 3.512 -8.405 -2.267 1.00 32.24 H new ATOM 0 HG21 VAL A 46 6.385 -8.648 -1.171 1.00 3.00 H new ATOM 0 HG22 VAL A 46 5.332 -7.245 -0.869 1.00 3.00 H new ATOM 0 HG23 VAL A 46 6.046 -8.132 0.498 1.00 3.00 H new ATOM 691 N PHE A 47 1.991 -10.301 1.505 1.00 62.52 N ATOM 692 CA PHE A 47 0.876 -11.235 1.614 1.00 2.01 C ATOM 693 C PHE A 47 -0.371 -10.533 2.142 1.00 55.44 C ATOM 694 O PHE A 47 -1.495 -10.969 1.894 1.00 64.31 O ATOM 695 CB PHE A 47 1.247 -12.400 2.534 1.00 0.34 C ATOM 696 CG PHE A 47 0.108 -12.873 3.391 1.00 13.02 C ATOM 697 CD1 PHE A 47 -0.883 -13.685 2.863 1.00 63.31 C ATOM 698 CD2 PHE A 47 0.027 -12.506 4.725 1.00 65.12 C ATOM 699 CE1 PHE A 47 -1.933 -14.121 3.649 1.00 65.41 C ATOM 700 CE2 PHE A 47 -1.020 -12.940 5.516 1.00 42.51 C ATOM 701 CZ PHE A 47 -2.001 -13.749 4.977 1.00 25.13 C ATOM 0 H PHE A 47 2.639 -10.324 2.292 1.00 62.52 H new ATOM 0 HA PHE A 47 0.660 -11.622 0.618 1.00 2.01 H new ATOM 0 HB2 PHE A 47 1.605 -13.232 1.927 1.00 0.34 H new ATOM 0 HB3 PHE A 47 2.073 -12.096 3.177 1.00 0.34 H new ATOM 0 HD1 PHE A 47 -0.834 -13.981 1.825 1.00 63.31 H new ATOM 0 HD2 PHE A 47 0.791 -11.873 5.152 1.00 65.12 H new ATOM 0 HE1 PHE A 47 -2.700 -14.752 3.225 1.00 65.41 H new ATOM 0 HE2 PHE A 47 -1.071 -12.647 6.554 1.00 42.51 H new ATOM 0 HZ PHE A 47 -2.820 -14.090 5.593 1.00 25.13 H new ATOM 711 N GLY A 48 -0.165 -9.441 2.872 1.00 42.44 N ATOM 712 CA GLY A 48 -1.281 -8.695 3.424 1.00 61.13 C ATOM 713 C GLY A 48 -2.039 -7.918 2.366 1.00 41.02 C ATOM 714 O GLY A 48 -3.083 -7.329 2.648 1.00 3.31 O ATOM 0 H GLY A 48 0.755 -9.060 3.091 1.00 42.44 H new ATOM 0 HA2 GLY A 48 -1.963 -9.384 3.923 1.00 61.13 H new ATOM 0 HA3 GLY A 48 -0.913 -8.005 4.183 1.00 61.13 H new ATOM 718 N ILE A 49 -1.513 -7.915 1.146 1.00 41.23 N ATOM 719 CA ILE A 49 -2.147 -7.203 0.043 1.00 60.42 C ATOM 720 C ILE A 49 -2.995 -8.146 -0.804 1.00 35.11 C ATOM 721 O ILE A 49 -3.774 -7.706 -1.651 1.00 33.41 O ATOM 722 CB ILE A 49 -1.103 -6.519 -0.860 1.00 75.40 C ATOM 723 CG1 ILE A 49 -0.090 -5.748 -0.012 1.00 32.33 C ATOM 724 CG2 ILE A 49 -1.788 -5.591 -1.851 1.00 53.44 C ATOM 725 CD1 ILE A 49 1.013 -5.107 -0.823 1.00 44.32 C ATOM 0 H ILE A 49 -0.650 -8.397 0.896 1.00 41.23 H new ATOM 0 HA ILE A 49 -2.787 -6.440 0.486 1.00 60.42 H new ATOM 0 HB ILE A 49 -0.569 -7.287 -1.420 1.00 75.40 H new ATOM 0 HG12 ILE A 49 -0.613 -4.974 0.550 1.00 32.33 H new ATOM 0 HG13 ILE A 49 0.353 -6.427 0.717 1.00 32.33 H new ATOM 0 HG21 ILE A 49 -1.038 -5.115 -2.482 1.00 53.44 H new ATOM 0 HG22 ILE A 49 -2.474 -6.166 -2.473 1.00 53.44 H new ATOM 0 HG23 ILE A 49 -2.344 -4.826 -1.309 1.00 53.44 H new ATOM 0 HD11 ILE A 49 1.694 -4.578 -0.157 1.00 44.32 H new ATOM 0 HD12 ILE A 49 1.561 -5.878 -1.365 1.00 44.32 H new ATOM 0 HD13 ILE A 49 0.580 -4.403 -1.533 1.00 44.32 H new ATOM 737 N LEU A 50 -2.841 -9.444 -0.569 1.00 31.34 N ATOM 738 CA LEU A 50 -3.595 -10.451 -1.308 1.00 44.13 C ATOM 739 C LEU A 50 -4.971 -10.666 -0.688 1.00 13.45 C ATOM 740 O LEU A 50 -5.992 -10.568 -1.369 1.00 33.45 O ATOM 741 CB LEU A 50 -2.825 -11.772 -1.339 1.00 63.30 C ATOM 742 CG LEU A 50 -1.301 -11.663 -1.268 1.00 72.22 C ATOM 743 CD1 LEU A 50 -0.664 -13.043 -1.331 1.00 2.41 C ATOM 744 CD2 LEU A 50 -0.777 -10.780 -2.391 1.00 40.00 C ATOM 0 H LEU A 50 -2.201 -9.824 0.128 1.00 31.34 H new ATOM 0 HA LEU A 50 -3.729 -10.092 -2.328 1.00 44.13 H new ATOM 0 HB2 LEU A 50 -3.164 -12.387 -0.505 1.00 63.30 H new ATOM 0 HB3 LEU A 50 -3.089 -12.302 -2.254 1.00 63.30 H new ATOM 0 HG LEU A 50 -1.032 -11.204 -0.316 1.00 72.22 H new ATOM 0 HD11 LEU A 50 0.420 -12.946 -1.279 1.00 2.41 H new ATOM 0 HD12 LEU A 50 -1.015 -13.644 -0.492 1.00 2.41 H new ATOM 0 HD13 LEU A 50 -0.940 -13.529 -2.267 1.00 2.41 H new ATOM 0 HD21 LEU A 50 0.309 -10.714 -2.325 1.00 40.00 H new ATOM 0 HD22 LEU A 50 -1.057 -11.210 -3.353 1.00 40.00 H new ATOM 0 HD23 LEU A 50 -1.208 -9.783 -2.301 1.00 40.00 H new ATOM 756 N ASP A 51 -4.991 -10.956 0.609 1.00 52.34 N ATOM 757 CA ASP A 51 -6.243 -11.181 1.323 1.00 43.24 C ATOM 758 C ASP A 51 -7.219 -10.034 1.082 1.00 75.00 C ATOM 759 O ASP A 51 -6.858 -9.011 0.501 1.00 74.00 O ATOM 760 CB ASP A 51 -5.979 -11.336 2.821 1.00 22.51 C ATOM 761 CG ASP A 51 -6.879 -12.373 3.463 1.00 75.51 C ATOM 762 OD1 ASP A 51 -8.115 -12.236 3.351 1.00 14.35 O ATOM 763 OD2 ASP A 51 -6.348 -13.322 4.077 1.00 33.44 O ATOM 0 H ASP A 51 -4.155 -11.041 1.187 1.00 52.34 H new ATOM 0 HA ASP A 51 -6.690 -12.100 0.944 1.00 43.24 H new ATOM 0 HB2 ASP A 51 -4.937 -11.617 2.976 1.00 22.51 H new ATOM 0 HB3 ASP A 51 -6.127 -10.375 3.314 1.00 22.51 H new ATOM 768 N GLN A 52 -8.457 -10.213 1.532 1.00 72.53 N ATOM 769 CA GLN A 52 -9.486 -9.194 1.363 1.00 30.01 C ATOM 770 C GLN A 52 -9.869 -8.580 2.706 1.00 42.34 C ATOM 771 O GLN A 52 -9.954 -7.359 2.839 1.00 41.21 O ATOM 772 CB GLN A 52 -10.723 -9.794 0.692 1.00 1.31 C ATOM 773 CG GLN A 52 -11.281 -11.007 1.418 1.00 14.35 C ATOM 774 CD GLN A 52 -12.312 -11.756 0.597 1.00 40.42 C ATOM 775 OE1 GLN A 52 -12.132 -11.966 -0.603 1.00 74.30 O ATOM 776 NE2 GLN A 52 -13.400 -12.163 1.240 1.00 0.10 N ATOM 0 H GLN A 52 -8.771 -11.054 2.016 1.00 72.53 H new ATOM 0 HA GLN A 52 -9.082 -8.407 0.726 1.00 30.01 H new ATOM 0 HB2 GLN A 52 -11.498 -9.030 0.629 1.00 1.31 H new ATOM 0 HB3 GLN A 52 -10.470 -10.077 -0.330 1.00 1.31 H new ATOM 0 HG2 GLN A 52 -10.463 -11.682 1.671 1.00 14.35 H new ATOM 0 HG3 GLN A 52 -11.733 -10.687 2.357 1.00 14.35 H new ATOM 0 HE21 GLN A 52 -13.508 -11.967 2.235 1.00 0.10 H new ATOM 0 HE22 GLN A 52 -14.128 -12.672 0.739 1.00 0.10 H new ATOM 837 N PHE A 57 -6.487 -15.657 7.682 1.00 2.11 N ATOM 838 CA PHE A 57 -6.109 -16.635 6.669 1.00 71.22 C ATOM 839 C PHE A 57 -6.760 -16.308 5.328 1.00 70.31 C ATOM 840 O PHE A 57 -7.927 -15.919 5.271 1.00 21.01 O ATOM 841 CB PHE A 57 -6.511 -18.043 7.114 1.00 42.13 C ATOM 842 CG PHE A 57 -5.926 -18.443 8.438 1.00 12.43 C ATOM 843 CD1 PHE A 57 -4.591 -18.798 8.542 1.00 0.44 C ATOM 844 CD2 PHE A 57 -6.712 -18.464 9.579 1.00 11.12 C ATOM 845 CE1 PHE A 57 -4.050 -19.166 9.760 1.00 43.42 C ATOM 846 CE2 PHE A 57 -6.176 -18.830 10.799 1.00 33.53 C ATOM 847 CZ PHE A 57 -4.844 -19.183 10.890 1.00 41.04 C ATOM 0 HA PHE A 57 -5.027 -16.595 6.547 1.00 71.22 H new ATOM 0 HB2 PHE A 57 -7.598 -18.100 7.174 1.00 42.13 H new ATOM 0 HB3 PHE A 57 -6.196 -18.759 6.355 1.00 42.13 H new ATOM 0 HD1 PHE A 57 -3.966 -18.787 7.662 1.00 0.44 H new ATOM 0 HD2 PHE A 57 -7.755 -18.191 9.514 1.00 11.12 H new ATOM 0 HE1 PHE A 57 -3.008 -19.440 9.828 1.00 43.42 H new ATOM 0 HE2 PHE A 57 -6.799 -18.840 11.681 1.00 33.53 H new ATOM 0 HZ PHE A 57 -4.424 -19.472 11.842 1.00 41.04 H new ATOM 857 N ILE A 58 -5.997 -16.469 4.252 1.00 11.20 N ATOM 858 CA ILE A 58 -6.499 -16.191 2.912 1.00 60.50 C ATOM 859 C ILE A 58 -7.411 -17.312 2.424 1.00 42.03 C ATOM 860 O ILE A 58 -8.440 -17.059 1.798 1.00 63.30 O ATOM 861 CB ILE A 58 -5.347 -16.007 1.906 1.00 32.23 C ATOM 862 CG1 ILE A 58 -4.917 -14.540 1.854 1.00 4.11 C ATOM 863 CG2 ILE A 58 -5.766 -16.491 0.526 1.00 34.23 C ATOM 864 CD1 ILE A 58 -3.738 -14.288 0.939 1.00 35.13 C ATOM 0 H ILE A 58 -5.029 -16.790 4.282 1.00 11.20 H new ATOM 0 HA ILE A 58 -7.068 -15.263 2.974 1.00 60.50 H new ATOM 0 HB ILE A 58 -4.497 -16.604 2.236 1.00 32.23 H new ATOM 0 HG12 ILE A 58 -5.760 -13.934 1.522 1.00 4.11 H new ATOM 0 HG13 ILE A 58 -4.663 -14.208 2.861 1.00 4.11 H new ATOM 0 HG21 ILE A 58 -4.941 -16.354 -0.173 1.00 34.23 H new ATOM 0 HG22 ILE A 58 -6.029 -17.548 0.575 1.00 34.23 H new ATOM 0 HG23 ILE A 58 -6.629 -15.918 0.186 1.00 34.23 H new ATOM 0 HD11 ILE A 58 -3.488 -13.227 0.951 1.00 35.13 H new ATOM 0 HD12 ILE A 58 -2.881 -14.867 1.282 1.00 35.13 H new ATOM 0 HD13 ILE A 58 -3.995 -14.588 -0.077 1.00 35.13 H new ATOM 876 N GLU A 59 -7.026 -18.550 2.716 1.00 31.50 N ATOM 877 CA GLU A 59 -7.810 -19.710 2.307 1.00 14.22 C ATOM 878 C GLU A 59 -7.925 -19.781 0.787 1.00 3.31 C ATOM 879 O GLU A 59 -7.631 -18.812 0.087 1.00 24.50 O ATOM 880 CB GLU A 59 -9.206 -19.656 2.932 1.00 2.35 C ATOM 881 CG GLU A 59 -9.190 -19.516 4.445 1.00 2.54 C ATOM 882 CD GLU A 59 -10.409 -18.787 4.977 1.00 43.53 C ATOM 883 OE1 GLU A 59 -11.539 -19.196 4.640 1.00 32.12 O ATOM 884 OE2 GLU A 59 -10.231 -17.806 5.730 1.00 52.04 O ATOM 0 H GLU A 59 -6.177 -18.776 3.234 1.00 31.50 H new ATOM 0 HA GLU A 59 -7.296 -20.605 2.658 1.00 14.22 H new ATOM 0 HB2 GLU A 59 -9.755 -18.817 2.504 1.00 2.35 H new ATOM 0 HB3 GLU A 59 -9.750 -20.562 2.665 1.00 2.35 H new ATOM 0 HG2 GLU A 59 -9.138 -20.506 4.897 1.00 2.54 H new ATOM 0 HG3 GLU A 59 -8.290 -18.980 4.747 1.00 2.54 H new ATOM 891 N GLU A 60 -8.353 -20.935 0.285 1.00 53.41 N ATOM 892 CA GLU A 60 -8.505 -21.132 -1.152 1.00 21.21 C ATOM 893 C GLU A 60 -9.548 -20.178 -1.725 1.00 54.33 C ATOM 894 O GLU A 60 -9.621 -19.977 -2.937 1.00 70.41 O ATOM 895 CB GLU A 60 -8.902 -22.579 -1.451 1.00 33.20 C ATOM 896 CG GLU A 60 -8.571 -23.021 -2.867 1.00 35.14 C ATOM 897 CD GLU A 60 -9.807 -23.376 -3.671 1.00 11.03 C ATOM 898 OE1 GLU A 60 -10.735 -23.984 -3.097 1.00 65.21 O ATOM 899 OE2 GLU A 60 -9.846 -23.045 -4.874 1.00 52.33 O ATOM 0 H GLU A 60 -8.600 -21.747 0.851 1.00 53.41 H new ATOM 0 HA GLU A 60 -7.546 -20.920 -1.625 1.00 21.21 H new ATOM 0 HB2 GLU A 60 -8.396 -23.239 -0.746 1.00 33.20 H new ATOM 0 HB3 GLU A 60 -9.973 -22.695 -1.284 1.00 33.20 H new ATOM 0 HG2 GLU A 60 -8.028 -22.224 -3.375 1.00 35.14 H new ATOM 0 HG3 GLU A 60 -7.907 -23.884 -2.828 1.00 35.14 H new ATOM 906 N GLU A 61 -10.354 -19.593 -0.844 1.00 52.35 N ATOM 907 CA GLU A 61 -11.394 -18.661 -1.263 1.00 54.33 C ATOM 908 C GLU A 61 -10.784 -17.393 -1.853 1.00 44.22 C ATOM 909 O GLU A 61 -11.182 -16.941 -2.926 1.00 75.21 O ATOM 910 CB GLU A 61 -12.296 -18.303 -0.080 1.00 51.30 C ATOM 911 CG GLU A 61 -13.120 -19.472 0.433 1.00 51.22 C ATOM 912 CD GLU A 61 -14.365 -19.027 1.176 1.00 4.31 C ATOM 913 OE1 GLU A 61 -15.003 -18.050 0.731 1.00 1.43 O ATOM 914 OE2 GLU A 61 -14.700 -19.655 2.202 1.00 51.41 O ATOM 0 H GLU A 61 -10.307 -19.748 0.163 1.00 52.35 H new ATOM 0 HA GLU A 61 -11.992 -19.148 -2.033 1.00 54.33 H new ATOM 0 HB2 GLU A 61 -11.680 -17.920 0.733 1.00 51.30 H new ATOM 0 HB3 GLU A 61 -12.968 -17.498 -0.377 1.00 51.30 H new ATOM 0 HG2 GLU A 61 -13.409 -20.104 -0.407 1.00 51.22 H new ATOM 0 HG3 GLU A 61 -12.505 -20.082 1.095 1.00 51.22 H new ATOM 921 N GLU A 62 -9.814 -16.824 -1.143 1.00 72.22 N ATOM 922 CA GLU A 62 -9.150 -15.608 -1.596 1.00 5.22 C ATOM 923 C GLU A 62 -7.902 -15.940 -2.409 1.00 70.05 C ATOM 924 O GLU A 62 -7.434 -15.128 -3.209 1.00 25.14 O ATOM 925 CB GLU A 62 -8.773 -14.731 -0.400 1.00 52.50 C ATOM 926 CG GLU A 62 -9.335 -13.321 -0.479 1.00 0.15 C ATOM 927 CD GLU A 62 -8.463 -12.390 -1.298 1.00 62.14 C ATOM 928 OE1 GLU A 62 -7.375 -12.824 -1.732 1.00 1.43 O ATOM 929 OE2 GLU A 62 -8.869 -11.228 -1.507 1.00 10.42 O ATOM 0 H GLU A 62 -9.471 -17.186 -0.253 1.00 72.22 H new ATOM 0 HA GLU A 62 -9.844 -15.062 -2.234 1.00 5.22 H new ATOM 0 HB2 GLU A 62 -9.130 -15.205 0.514 1.00 52.50 H new ATOM 0 HB3 GLU A 62 -7.687 -14.677 -0.328 1.00 52.50 H new ATOM 0 HG2 GLU A 62 -10.333 -13.356 -0.916 1.00 0.15 H new ATOM 0 HG3 GLU A 62 -9.442 -12.920 0.529 1.00 0.15 H new ATOM 936 N LEU A 63 -7.368 -17.138 -2.200 1.00 74.41 N ATOM 937 CA LEU A 63 -6.174 -17.579 -2.913 1.00 75.41 C ATOM 938 C LEU A 63 -6.387 -17.517 -4.422 1.00 52.42 C ATOM 939 O LEU A 63 -5.438 -17.335 -5.185 1.00 33.43 O ATOM 940 CB LEU A 63 -5.806 -19.005 -2.497 1.00 44.54 C ATOM 941 CG LEU A 63 -4.316 -19.350 -2.533 1.00 14.22 C ATOM 942 CD1 LEU A 63 -3.565 -18.583 -1.456 1.00 1.02 C ATOM 943 CD2 LEU A 63 -4.112 -20.848 -2.364 1.00 72.31 C ATOM 0 H LEU A 63 -7.743 -17.822 -1.542 1.00 74.41 H new ATOM 0 HA LEU A 63 -5.356 -16.908 -2.652 1.00 75.41 H new ATOM 0 HB2 LEU A 63 -6.173 -19.173 -1.485 1.00 44.54 H new ATOM 0 HB3 LEU A 63 -6.336 -19.700 -3.148 1.00 44.54 H new ATOM 0 HG LEU A 63 -3.917 -19.056 -3.504 1.00 14.22 H new ATOM 0 HD11 LEU A 63 -2.507 -18.841 -1.497 1.00 1.02 H new ATOM 0 HD12 LEU A 63 -3.684 -17.512 -1.622 1.00 1.02 H new ATOM 0 HD13 LEU A 63 -3.965 -18.845 -0.477 1.00 1.02 H new ATOM 0 HD21 LEU A 63 -3.046 -21.076 -2.392 1.00 72.31 H new ATOM 0 HD22 LEU A 63 -4.526 -21.166 -1.407 1.00 72.31 H new ATOM 0 HD23 LEU A 63 -4.617 -21.377 -3.172 1.00 72.31 H new ATOM 955 N GLN A 64 -7.638 -17.666 -4.845 1.00 54.40 N ATOM 956 CA GLN A 64 -7.975 -17.624 -6.263 1.00 70.21 C ATOM 957 C GLN A 64 -7.773 -16.223 -6.830 1.00 0.21 C ATOM 958 O GLN A 64 -7.914 -16.002 -8.034 1.00 22.25 O ATOM 959 CB GLN A 64 -9.422 -18.071 -6.479 1.00 12.44 C ATOM 960 CG GLN A 64 -10.448 -17.019 -6.088 1.00 1.20 C ATOM 961 CD GLN A 64 -11.873 -17.479 -6.320 1.00 34.41 C ATOM 962 OE1 GLN A 64 -12.131 -18.341 -7.161 1.00 24.20 O ATOM 963 NE2 GLN A 64 -12.810 -16.906 -5.573 1.00 61.21 N ATOM 0 H GLN A 64 -8.435 -17.817 -4.226 1.00 54.40 H new ATOM 0 HA GLN A 64 -7.309 -18.308 -6.789 1.00 70.21 H new ATOM 0 HB2 GLN A 64 -9.561 -18.330 -7.529 1.00 12.44 H new ATOM 0 HB3 GLN A 64 -9.604 -18.977 -5.901 1.00 12.44 H new ATOM 0 HG2 GLN A 64 -10.319 -16.765 -5.036 1.00 1.20 H new ATOM 0 HG3 GLN A 64 -10.266 -16.109 -6.660 1.00 1.20 H new ATOM 0 HE21 GLN A 64 -12.552 -16.196 -4.888 1.00 61.21 H new ATOM 0 HE22 GLN A 64 -13.787 -17.176 -5.685 1.00 61.21 H new ATOM 972 N LEU A 65 -7.443 -15.279 -5.956 1.00 3.42 N ATOM 973 CA LEU A 65 -7.221 -13.897 -6.369 1.00 33.11 C ATOM 974 C LEU A 65 -5.735 -13.553 -6.345 1.00 75.22 C ATOM 975 O LEU A 65 -5.360 -12.383 -6.268 1.00 65.33 O ATOM 976 CB LEU A 65 -7.992 -12.941 -5.457 1.00 33.53 C ATOM 977 CG LEU A 65 -9.423 -13.354 -5.108 1.00 50.25 C ATOM 978 CD1 LEU A 65 -9.972 -12.483 -3.989 1.00 52.33 C ATOM 979 CD2 LEU A 65 -10.316 -13.271 -6.338 1.00 20.41 C ATOM 0 H LEU A 65 -7.323 -15.445 -4.957 1.00 3.42 H new ATOM 0 HA LEU A 65 -7.584 -13.787 -7.391 1.00 33.11 H new ATOM 0 HB2 LEU A 65 -7.432 -12.825 -4.529 1.00 33.53 H new ATOM 0 HB3 LEU A 65 -8.024 -11.962 -5.934 1.00 33.53 H new ATOM 0 HG LEU A 65 -9.409 -14.388 -4.762 1.00 50.25 H new ATOM 0 HD11 LEU A 65 -10.991 -12.791 -3.754 1.00 52.33 H new ATOM 0 HD12 LEU A 65 -9.347 -12.592 -3.103 1.00 52.33 H new ATOM 0 HD13 LEU A 65 -9.973 -11.440 -4.307 1.00 52.33 H new ATOM 0 HD21 LEU A 65 -11.330 -13.568 -6.072 1.00 20.41 H new ATOM 0 HD22 LEU A 65 -10.324 -12.248 -6.713 1.00 20.41 H new ATOM 0 HD23 LEU A 65 -9.934 -13.938 -7.111 1.00 20.41 H new ATOM 991 N PHE A 66 -4.895 -14.580 -6.414 1.00 44.10 N ATOM 992 CA PHE A 66 -3.449 -14.386 -6.402 1.00 33.43 C ATOM 993 C PHE A 66 -2.990 -13.640 -7.651 1.00 22.21 C ATOM 994 O PHE A 66 -1.964 -12.958 -7.639 1.00 13.04 O ATOM 995 CB PHE A 66 -2.734 -15.736 -6.308 1.00 4.53 C ATOM 996 CG PHE A 66 -1.236 -15.622 -6.321 1.00 40.14 C ATOM 997 CD1 PHE A 66 -0.542 -15.297 -5.167 1.00 51.52 C ATOM 998 CD2 PHE A 66 -0.522 -15.840 -7.489 1.00 32.02 C ATOM 999 CE1 PHE A 66 0.836 -15.192 -5.176 1.00 42.52 C ATOM 1000 CE2 PHE A 66 0.856 -15.737 -7.504 1.00 10.12 C ATOM 1001 CZ PHE A 66 1.536 -15.411 -6.346 1.00 71.05 C ATOM 0 H PHE A 66 -5.190 -15.554 -6.479 1.00 44.10 H new ATOM 0 HA PHE A 66 -3.194 -13.786 -5.528 1.00 33.43 H new ATOM 0 HB2 PHE A 66 -3.044 -16.240 -5.393 1.00 4.53 H new ATOM 0 HB3 PHE A 66 -3.050 -16.365 -7.141 1.00 4.53 H new ATOM 0 HD1 PHE A 66 -1.084 -15.124 -4.249 1.00 51.52 H new ATOM 0 HD2 PHE A 66 -1.048 -16.093 -8.397 1.00 32.02 H new ATOM 0 HE1 PHE A 66 1.365 -14.939 -4.269 1.00 42.52 H new ATOM 0 HE2 PHE A 66 1.401 -15.911 -8.420 1.00 10.12 H new ATOM 0 HZ PHE A 66 2.613 -15.328 -6.356 1.00 71.05 H new ATOM 1011 N LEU A 67 -3.755 -13.775 -8.728 1.00 72.32 N ATOM 1012 CA LEU A 67 -3.428 -13.115 -9.987 1.00 43.21 C ATOM 1013 C LEU A 67 -3.964 -11.687 -10.008 1.00 44.14 C ATOM 1014 O LEU A 67 -3.841 -10.981 -11.009 1.00 45.43 O ATOM 1015 CB LEU A 67 -4.002 -13.905 -11.165 1.00 3.34 C ATOM 1016 CG LEU A 67 -3.248 -15.179 -11.549 1.00 54.42 C ATOM 1017 CD1 LEU A 67 -4.021 -15.959 -12.601 1.00 53.44 C ATOM 1018 CD2 LEU A 67 -1.852 -14.841 -12.051 1.00 71.43 C ATOM 0 H LEU A 67 -4.607 -14.336 -8.755 1.00 72.32 H new ATOM 0 HA LEU A 67 -2.342 -13.078 -10.078 1.00 43.21 H new ATOM 0 HB2 LEU A 67 -5.032 -14.173 -10.930 1.00 3.34 H new ATOM 0 HB3 LEU A 67 -4.034 -13.249 -12.035 1.00 3.34 H new ATOM 0 HG LEU A 67 -3.151 -15.804 -10.661 1.00 54.42 H new ATOM 0 HD11 LEU A 67 -3.470 -16.862 -12.862 1.00 53.44 H new ATOM 0 HD12 LEU A 67 -4.999 -16.232 -12.205 1.00 53.44 H new ATOM 0 HD13 LEU A 67 -4.149 -15.342 -13.490 1.00 53.44 H new ATOM 0 HD21 LEU A 67 -1.330 -15.759 -12.320 1.00 71.43 H new ATOM 0 HD22 LEU A 67 -1.926 -14.196 -12.927 1.00 71.43 H new ATOM 0 HD23 LEU A 67 -1.298 -14.325 -11.267 1.00 71.43 H new ATOM 1030 N LYS A 68 -4.557 -11.267 -8.896 1.00 51.44 N ATOM 1031 CA LYS A 68 -5.109 -9.922 -8.785 1.00 11.35 C ATOM 1032 C LYS A 68 -4.110 -8.977 -8.125 1.00 0.40 C ATOM 1033 O LYS A 68 -4.237 -7.757 -8.224 1.00 10.03 O ATOM 1034 CB LYS A 68 -6.411 -9.948 -7.980 1.00 5.33 C ATOM 1035 CG LYS A 68 -7.330 -11.099 -8.347 1.00 71.42 C ATOM 1036 CD LYS A 68 -7.790 -11.006 -9.792 1.00 60.54 C ATOM 1037 CE LYS A 68 -9.173 -10.383 -9.898 1.00 51.32 C ATOM 1038 NZ LYS A 68 -10.185 -11.141 -9.112 1.00 73.43 N ATOM 0 H LYS A 68 -4.668 -11.839 -8.059 1.00 51.44 H new ATOM 0 HA LYS A 68 -5.318 -9.557 -9.791 1.00 11.35 H new ATOM 0 HB2 LYS A 68 -6.171 -10.010 -6.919 1.00 5.33 H new ATOM 0 HB3 LYS A 68 -6.941 -9.008 -8.132 1.00 5.33 H new ATOM 0 HG2 LYS A 68 -6.811 -12.045 -8.190 1.00 71.42 H new ATOM 0 HG3 LYS A 68 -8.198 -11.098 -7.687 1.00 71.42 H new ATOM 0 HD2 LYS A 68 -7.077 -10.412 -10.364 1.00 60.54 H new ATOM 0 HD3 LYS A 68 -7.803 -12.002 -10.235 1.00 60.54 H new ATOM 0 HE2 LYS A 68 -9.135 -9.353 -9.544 1.00 51.32 H new ATOM 0 HE3 LYS A 68 -9.477 -10.349 -10.944 1.00 51.32 H new ATOM 0 HZ1 LYS A 68 -11.125 -11.006 -9.535 1.00 73.43 H new ATOM 0 HZ2 LYS A 68 -9.944 -12.153 -9.119 1.00 73.43 H new ATOM 0 HZ3 LYS A 68 -10.194 -10.794 -8.132 1.00 73.43 H new ATOM 1052 N ASN A 69 -3.116 -9.548 -7.454 1.00 23.54 N ATOM 1053 CA ASN A 69 -2.094 -8.756 -6.779 1.00 30.24 C ATOM 1054 C ASN A 69 -1.006 -8.325 -7.757 1.00 3.11 C ATOM 1055 O ASN A 69 -0.306 -7.338 -7.528 1.00 63.21 O ATOM 1056 CB ASN A 69 -1.475 -9.555 -5.630 1.00 34.40 C ATOM 1057 CG ASN A 69 -0.254 -8.874 -5.044 1.00 31.05 C ATOM 1058 OD1 ASN A 69 0.814 -9.476 -4.934 1.00 61.34 O ATOM 1059 ND2 ASN A 69 -0.407 -7.611 -4.662 1.00 73.23 N ATOM 0 H ASN A 69 -2.996 -10.557 -7.363 1.00 23.54 H new ATOM 0 HA ASN A 69 -2.570 -7.862 -6.376 1.00 30.24 H new ATOM 0 HB2 ASN A 69 -2.220 -9.696 -4.847 1.00 34.40 H new ATOM 0 HB3 ASN A 69 -1.198 -10.546 -5.989 1.00 34.40 H new ATOM 0 HD21 ASN A 69 0.379 -7.101 -4.259 1.00 73.23 H new ATOM 0 HD22 ASN A 69 -1.311 -7.151 -4.772 1.00 73.23 H new ATOM 1066 N PHE A 70 -0.869 -9.071 -8.848 1.00 53.23 N ATOM 1067 CA PHE A 70 0.134 -8.766 -9.862 1.00 32.30 C ATOM 1068 C PHE A 70 -0.517 -8.182 -11.112 1.00 44.25 C ATOM 1069 O PHE A 70 -0.119 -7.121 -11.594 1.00 62.11 O ATOM 1070 CB PHE A 70 0.922 -10.027 -10.225 1.00 13.31 C ATOM 1071 CG PHE A 70 1.560 -10.696 -9.042 1.00 5.24 C ATOM 1072 CD1 PHE A 70 0.819 -11.524 -8.214 1.00 4.23 C ATOM 1073 CD2 PHE A 70 2.902 -10.497 -8.757 1.00 71.43 C ATOM 1074 CE1 PHE A 70 1.405 -12.140 -7.124 1.00 14.02 C ATOM 1075 CE2 PHE A 70 3.493 -11.111 -7.669 1.00 32.31 C ATOM 1076 CZ PHE A 70 2.743 -11.935 -6.852 1.00 2.52 C ATOM 0 H PHE A 70 -1.440 -9.891 -9.053 1.00 53.23 H new ATOM 0 HA PHE A 70 0.818 -8.024 -9.450 1.00 32.30 H new ATOM 0 HB2 PHE A 70 0.254 -10.735 -10.716 1.00 13.31 H new ATOM 0 HB3 PHE A 70 1.696 -9.767 -10.947 1.00 13.31 H new ATOM 0 HD1 PHE A 70 -0.228 -11.690 -8.423 1.00 4.23 H new ATOM 0 HD2 PHE A 70 3.493 -9.854 -9.393 1.00 71.43 H new ATOM 0 HE1 PHE A 70 0.816 -12.782 -6.485 1.00 14.02 H new ATOM 0 HE2 PHE A 70 4.539 -10.947 -7.458 1.00 32.31 H new ATOM 0 HZ PHE A 70 3.202 -12.418 -6.002 1.00 2.52 H new ATOM 1086 N SER A 71 -1.519 -8.882 -11.633 1.00 60.33 N ATOM 1087 CA SER A 71 -2.222 -8.436 -12.830 1.00 74.22 C ATOM 1088 C SER A 71 -3.648 -8.009 -12.495 1.00 10.31 C ATOM 1089 O SER A 71 -4.188 -8.373 -11.450 1.00 64.02 O ATOM 1090 CB SER A 71 -2.245 -9.550 -13.879 1.00 12.11 C ATOM 1091 OG SER A 71 -2.213 -9.016 -15.191 1.00 45.40 O ATOM 0 H SER A 71 -1.862 -9.761 -11.245 1.00 60.33 H new ATOM 0 HA SER A 71 -1.689 -7.576 -13.235 1.00 74.22 H new ATOM 0 HB2 SER A 71 -1.391 -10.211 -13.731 1.00 12.11 H new ATOM 0 HB3 SER A 71 -3.142 -10.156 -13.751 1.00 12.11 H new ATOM 0 HG SER A 71 -2.227 -9.748 -15.843 1.00 45.40 H new ATOM 1097 N SER A 72 -4.252 -7.233 -13.389 1.00 54.02 N ATOM 1098 CA SER A 72 -5.614 -6.752 -13.188 1.00 10.32 C ATOM 1099 C SER A 72 -6.532 -7.233 -14.308 1.00 5.42 C ATOM 1100 O SER A 72 -7.587 -6.649 -14.554 1.00 32.40 O ATOM 1101 CB SER A 72 -5.632 -5.223 -13.119 1.00 33.41 C ATOM 1102 OG SER A 72 -6.943 -4.739 -12.885 1.00 33.11 O ATOM 0 H SER A 72 -3.820 -6.924 -14.260 1.00 54.02 H new ATOM 0 HA SER A 72 -5.980 -7.156 -12.244 1.00 10.32 H new ATOM 0 HB2 SER A 72 -4.968 -4.884 -12.324 1.00 33.41 H new ATOM 0 HB3 SER A 72 -5.249 -4.809 -14.052 1.00 33.41 H new ATOM 0 HG SER A 72 -7.575 -5.212 -13.466 1.00 33.11 H new ATOM 1108 N SER A 73 -6.120 -8.301 -14.983 1.00 53.14 N ATOM 1109 CA SER A 73 -6.902 -8.859 -16.080 1.00 73.33 C ATOM 1110 C SER A 73 -7.295 -10.304 -15.787 1.00 13.12 C ATOM 1111 O SER A 73 -8.362 -10.763 -16.193 1.00 71.33 O ATOM 1112 CB SER A 73 -6.109 -8.790 -17.387 1.00 14.01 C ATOM 1113 OG SER A 73 -6.927 -9.116 -18.497 1.00 50.35 O ATOM 0 H SER A 73 -5.250 -8.797 -14.790 1.00 53.14 H new ATOM 0 HA SER A 73 -7.811 -8.267 -16.183 1.00 73.33 H new ATOM 0 HB2 SER A 73 -5.699 -7.788 -17.515 1.00 14.01 H new ATOM 0 HB3 SER A 73 -5.264 -9.477 -17.340 1.00 14.01 H new ATOM 0 HG SER A 73 -6.398 -9.063 -19.320 1.00 50.35 H new ATOM 1119 N ALA A 74 -6.425 -11.015 -15.078 1.00 2.03 N ATOM 1120 CA ALA A 74 -6.680 -12.407 -14.727 1.00 55.44 C ATOM 1121 C ALA A 74 -7.822 -12.519 -13.722 1.00 41.24 C ATOM 1122 O ALA A 74 -7.679 -12.135 -12.561 1.00 53.04 O ATOM 1123 CB ALA A 74 -5.420 -13.051 -14.171 1.00 25.01 C ATOM 0 H ALA A 74 -5.537 -10.650 -14.735 1.00 2.03 H new ATOM 0 HA ALA A 74 -6.975 -12.936 -15.633 1.00 55.44 H new ATOM 0 HB1 ALA A 74 -5.626 -14.090 -13.913 1.00 25.01 H new ATOM 0 HB2 ALA A 74 -4.630 -13.013 -14.921 1.00 25.01 H new ATOM 0 HB3 ALA A 74 -5.099 -12.513 -13.279 1.00 25.01 H new ATOM 1129 N ARG A 75 -8.954 -13.046 -14.176 1.00 71.44 N ATOM 1130 CA ARG A 75 -10.121 -13.207 -13.317 1.00 23.00 C ATOM 1131 C ARG A 75 -9.729 -13.827 -11.979 1.00 1.01 C ATOM 1132 O ARG A 75 -9.641 -13.135 -10.964 1.00 70.42 O ATOM 1133 CB ARG A 75 -11.172 -14.078 -14.006 1.00 75.13 C ATOM 1134 CG ARG A 75 -10.587 -15.069 -14.999 1.00 21.43 C ATOM 1135 CD ARG A 75 -11.417 -16.342 -15.071 1.00 3.43 C ATOM 1136 NE ARG A 75 -12.001 -16.540 -16.394 1.00 41.04 N ATOM 1137 CZ ARG A 75 -13.094 -15.915 -16.816 1.00 53.34 C ATOM 1138 NH1 ARG A 75 -13.719 -15.056 -16.023 1.00 3.43 N ATOM 1139 NH2 ARG A 75 -13.565 -16.148 -18.035 1.00 0.01 N ATOM 0 H ARG A 75 -9.088 -13.369 -15.134 1.00 71.44 H new ATOM 0 HA ARG A 75 -10.543 -12.219 -13.131 1.00 23.00 H new ATOM 0 HB2 ARG A 75 -11.732 -14.625 -13.247 1.00 75.13 H new ATOM 0 HB3 ARG A 75 -11.882 -13.434 -14.524 1.00 75.13 H new ATOM 0 HG2 ARG A 75 -10.537 -14.610 -15.986 1.00 21.43 H new ATOM 0 HG3 ARG A 75 -9.565 -15.315 -14.710 1.00 21.43 H new ATOM 0 HD2 ARG A 75 -10.791 -17.198 -14.819 1.00 3.43 H new ATOM 0 HD3 ARG A 75 -12.212 -16.299 -14.327 1.00 3.43 H new ATOM 0 HE ARG A 75 -11.544 -17.194 -17.029 1.00 41.04 H new ATOM 0 HH11 ARG A 75 -13.361 -14.873 -15.086 1.00 3.43 H new ATOM 0 HH12 ARG A 75 -14.558 -14.578 -16.350 1.00 3.43 H new ATOM 0 HH21 ARG A 75 -13.087 -16.808 -18.649 1.00 0.01 H new ATOM 0 HH22 ARG A 75 -14.405 -15.667 -18.358 1.00 0.01 H new ATOM 1153 N VAL A 76 -9.495 -15.136 -11.985 1.00 11.44 N ATOM 1154 CA VAL A 76 -9.112 -15.849 -10.772 1.00 73.01 C ATOM 1155 C VAL A 76 -8.373 -17.140 -11.104 1.00 61.25 C ATOM 1156 O VAL A 76 -8.480 -17.662 -12.215 1.00 41.43 O ATOM 1157 CB VAL A 76 -10.341 -16.183 -9.905 1.00 51.44 C ATOM 1158 CG1 VAL A 76 -10.755 -14.975 -9.078 1.00 24.32 C ATOM 1159 CG2 VAL A 76 -11.493 -16.662 -10.776 1.00 45.14 C ATOM 0 H VAL A 76 -9.564 -15.724 -12.816 1.00 11.44 H new ATOM 0 HA VAL A 76 -8.450 -15.188 -10.212 1.00 73.01 H new ATOM 0 HB VAL A 76 -10.073 -16.988 -9.221 1.00 51.44 H new ATOM 0 HG11 VAL A 76 -11.625 -15.230 -8.472 1.00 24.32 H new ATOM 0 HG12 VAL A 76 -9.932 -14.681 -8.426 1.00 24.32 H new ATOM 0 HG13 VAL A 76 -11.005 -14.148 -9.742 1.00 24.32 H new ATOM 0 HG21 VAL A 76 -12.353 -16.893 -10.147 1.00 45.14 H new ATOM 0 HG22 VAL A 76 -11.762 -15.880 -11.485 1.00 45.14 H new ATOM 0 HG23 VAL A 76 -11.190 -17.557 -11.320 1.00 45.14 H new ATOM 1169 N LEU A 77 -7.623 -17.652 -10.135 1.00 20.21 N ATOM 1170 CA LEU A 77 -6.865 -18.884 -10.324 1.00 20.34 C ATOM 1171 C LEU A 77 -7.756 -19.993 -10.873 1.00 74.31 C ATOM 1172 O LEU A 77 -8.981 -19.863 -10.904 1.00 63.34 O ATOM 1173 CB LEU A 77 -6.237 -19.327 -9.001 1.00 62.51 C ATOM 1174 CG LEU A 77 -5.272 -18.336 -8.351 1.00 4.41 C ATOM 1175 CD1 LEU A 77 -4.399 -19.037 -7.321 1.00 15.40 C ATOM 1176 CD2 LEU A 77 -4.412 -17.657 -9.407 1.00 61.25 C ATOM 0 H LEU A 77 -7.523 -17.233 -9.210 1.00 20.21 H new ATOM 0 HA LEU A 77 -6.074 -18.687 -11.048 1.00 20.34 H new ATOM 0 HB2 LEU A 77 -7.039 -19.539 -8.294 1.00 62.51 H new ATOM 0 HB3 LEU A 77 -5.705 -20.263 -9.170 1.00 62.51 H new ATOM 0 HG LEU A 77 -5.858 -17.571 -7.841 1.00 4.41 H new ATOM 0 HD11 LEU A 77 -3.719 -18.315 -6.869 1.00 15.40 H new ATOM 0 HD12 LEU A 77 -5.030 -19.475 -6.547 1.00 15.40 H new ATOM 0 HD13 LEU A 77 -3.822 -19.824 -7.808 1.00 15.40 H new ATOM 0 HD21 LEU A 77 -3.731 -16.955 -8.926 1.00 61.25 H new ATOM 0 HD22 LEU A 77 -3.836 -18.409 -9.946 1.00 61.25 H new ATOM 0 HD23 LEU A 77 -5.052 -17.120 -10.107 1.00 61.25 H new ATOM 1188 N THR A 78 -7.135 -21.086 -11.304 1.00 63.54 N ATOM 1189 CA THR A 78 -7.871 -22.219 -11.852 1.00 0.14 C ATOM 1190 C THR A 78 -7.496 -23.514 -11.140 1.00 62.04 C ATOM 1191 O THR A 78 -6.807 -23.496 -10.121 1.00 22.25 O ATOM 1192 CB THR A 78 -7.611 -22.382 -13.361 1.00 50.41 C ATOM 1193 OG1 THR A 78 -8.588 -23.257 -13.935 1.00 21.31 O ATOM 1194 CG2 THR A 78 -6.216 -22.934 -13.614 1.00 35.45 C ATOM 0 H THR A 78 -6.123 -21.211 -11.284 1.00 63.54 H new ATOM 0 HA THR A 78 -8.930 -22.014 -11.694 1.00 0.14 H new ATOM 0 HB THR A 78 -7.685 -21.400 -13.828 1.00 50.41 H new ATOM 0 HG1 THR A 78 -8.417 -23.354 -14.895 1.00 21.31 H new ATOM 0 HG21 THR A 78 -6.056 -23.040 -14.687 1.00 35.45 H new ATOM 0 HG22 THR A 78 -5.474 -22.250 -13.202 1.00 35.45 H new ATOM 0 HG23 THR A 78 -6.117 -23.908 -13.134 1.00 35.45 H new ATOM 1202 N SER A 79 -7.953 -24.637 -11.685 1.00 41.15 N ATOM 1203 CA SER A 79 -7.667 -25.942 -11.101 1.00 14.23 C ATOM 1204 C SER A 79 -6.234 -26.370 -11.402 1.00 35.41 C ATOM 1205 O SER A 79 -6.002 -27.416 -12.008 1.00 31.13 O ATOM 1206 CB SER A 79 -8.648 -26.989 -11.634 1.00 4.43 C ATOM 1207 OG SER A 79 -8.585 -27.073 -13.047 1.00 24.31 O ATOM 0 H SER A 79 -8.523 -24.669 -12.530 1.00 41.15 H new ATOM 0 HA SER A 79 -7.784 -25.863 -10.020 1.00 14.23 H new ATOM 0 HB2 SER A 79 -8.419 -27.962 -11.198 1.00 4.43 H new ATOM 0 HB3 SER A 79 -9.662 -26.732 -11.327 1.00 4.43 H new ATOM 0 HG SER A 79 -7.691 -27.370 -13.318 1.00 24.31 H new ATOM 1213 N ALA A 80 -5.277 -25.554 -10.974 1.00 51.12 N ATOM 1214 CA ALA A 80 -3.867 -25.848 -11.196 1.00 22.23 C ATOM 1215 C ALA A 80 -2.976 -24.834 -10.485 1.00 73.42 C ATOM 1216 O ALA A 80 -2.032 -25.205 -9.789 1.00 32.43 O ATOM 1217 CB ALA A 80 -3.560 -25.870 -12.686 1.00 21.32 C ATOM 0 H ALA A 80 -5.452 -24.684 -10.471 1.00 51.12 H new ATOM 0 HA ALA A 80 -3.657 -26.833 -10.779 1.00 22.23 H new ATOM 0 HB1 ALA A 80 -2.503 -26.091 -12.837 1.00 21.32 H new ATOM 0 HB2 ALA A 80 -4.164 -26.637 -13.171 1.00 21.32 H new ATOM 0 HB3 ALA A 80 -3.793 -24.898 -13.120 1.00 21.32 H new ATOM 1223 N GLU A 81 -3.283 -23.554 -10.667 1.00 53.22 N ATOM 1224 CA GLU A 81 -2.509 -22.487 -10.044 1.00 25.31 C ATOM 1225 C GLU A 81 -2.779 -22.423 -8.544 1.00 35.35 C ATOM 1226 O GLU A 81 -1.852 -22.389 -7.734 1.00 32.22 O ATOM 1227 CB GLU A 81 -2.840 -21.141 -10.691 1.00 0.10 C ATOM 1228 CG GLU A 81 -2.684 -21.137 -12.202 1.00 71.24 C ATOM 1229 CD GLU A 81 -2.871 -19.758 -12.805 1.00 22.13 C ATOM 1230 OE1 GLU A 81 -2.182 -18.817 -12.356 1.00 74.42 O ATOM 1231 OE2 GLU A 81 -3.705 -19.619 -13.724 1.00 23.33 O ATOM 0 H GLU A 81 -4.062 -23.231 -11.241 1.00 53.22 H new ATOM 0 HA GLU A 81 -1.452 -22.704 -10.196 1.00 25.31 H new ATOM 0 HB2 GLU A 81 -3.865 -20.869 -10.439 1.00 0.10 H new ATOM 0 HB3 GLU A 81 -2.193 -20.374 -10.265 1.00 0.10 H new ATOM 0 HG2 GLU A 81 -1.694 -21.512 -12.462 1.00 71.24 H new ATOM 0 HG3 GLU A 81 -3.410 -21.822 -12.640 1.00 71.24 H new ATOM 1238 N THR A 82 -4.058 -22.407 -8.179 1.00 41.31 N ATOM 1239 CA THR A 82 -4.452 -22.345 -6.777 1.00 74.15 C ATOM 1240 C THR A 82 -3.963 -23.571 -6.014 1.00 53.42 C ATOM 1241 O THR A 82 -3.581 -23.477 -4.847 1.00 55.05 O ATOM 1242 CB THR A 82 -5.982 -22.238 -6.628 1.00 62.25 C ATOM 1243 OG1 THR A 82 -6.575 -21.913 -7.890 1.00 75.54 O ATOM 1244 CG2 THR A 82 -6.353 -21.180 -5.601 1.00 3.15 C ATOM 0 H THR A 82 -4.838 -22.436 -8.835 1.00 41.31 H new ATOM 0 HA THR A 82 -3.990 -21.451 -6.358 1.00 74.15 H new ATOM 0 HB THR A 82 -6.360 -23.202 -6.286 1.00 62.25 H new ATOM 0 HG1 THR A 82 -6.651 -22.724 -8.435 1.00 75.54 H new ATOM 0 HG21 THR A 82 -7.438 -21.123 -5.513 1.00 3.15 H new ATOM 0 HG22 THR A 82 -5.924 -21.445 -4.635 1.00 3.15 H new ATOM 0 HG23 THR A 82 -5.963 -20.213 -5.918 1.00 3.15 H new ATOM 1252 N LYS A 83 -3.976 -24.720 -6.680 1.00 35.52 N ATOM 1253 CA LYS A 83 -3.532 -25.966 -6.065 1.00 53.14 C ATOM 1254 C LYS A 83 -2.015 -25.983 -5.906 1.00 34.13 C ATOM 1255 O LYS A 83 -1.498 -26.317 -4.840 1.00 61.34 O ATOM 1256 CB LYS A 83 -3.981 -27.162 -6.908 1.00 23.45 C ATOM 1257 CG LYS A 83 -5.484 -27.233 -7.112 1.00 31.11 C ATOM 1258 CD LYS A 83 -6.181 -27.857 -5.914 1.00 41.14 C ATOM 1259 CE LYS A 83 -7.680 -27.974 -6.141 1.00 15.24 C ATOM 1260 NZ LYS A 83 -8.031 -29.195 -6.917 1.00 63.04 N ATOM 0 H LYS A 83 -4.289 -24.815 -7.646 1.00 35.52 H new ATOM 0 HA LYS A 83 -3.984 -26.036 -5.076 1.00 53.14 H new ATOM 0 HB2 LYS A 83 -3.493 -27.113 -7.881 1.00 23.45 H new ATOM 0 HB3 LYS A 83 -3.644 -28.081 -6.428 1.00 23.45 H new ATOM 0 HG2 LYS A 83 -5.877 -26.230 -7.281 1.00 31.11 H new ATOM 0 HG3 LYS A 83 -5.704 -27.816 -8.006 1.00 31.11 H new ATOM 0 HD2 LYS A 83 -5.763 -28.845 -5.722 1.00 41.14 H new ATOM 0 HD3 LYS A 83 -5.992 -27.253 -5.026 1.00 41.14 H new ATOM 0 HE2 LYS A 83 -8.192 -27.996 -5.179 1.00 15.24 H new ATOM 0 HE3 LYS A 83 -8.037 -27.091 -6.672 1.00 15.24 H new ATOM 0 HZ1 LYS A 83 -9.062 -29.237 -7.050 1.00 63.04 H new ATOM 0 HZ2 LYS A 83 -7.563 -29.163 -7.845 1.00 63.04 H new ATOM 0 HZ3 LYS A 83 -7.714 -30.039 -6.399 1.00 63.04 H new ATOM 1274 N ALA A 84 -1.309 -25.620 -6.971 1.00 3.42 N ATOM 1275 CA ALA A 84 0.148 -25.590 -6.947 1.00 45.00 C ATOM 1276 C ALA A 84 0.660 -24.490 -6.023 1.00 22.31 C ATOM 1277 O ALA A 84 1.851 -24.429 -5.715 1.00 14.35 O ATOM 1278 CB ALA A 84 0.695 -25.397 -8.354 1.00 5.03 C ATOM 0 H ALA A 84 -1.722 -25.343 -7.861 1.00 3.42 H new ATOM 0 HA ALA A 84 0.500 -26.546 -6.560 1.00 45.00 H new ATOM 0 HB1 ALA A 84 1.784 -25.376 -8.321 1.00 5.03 H new ATOM 0 HB2 ALA A 84 0.367 -26.220 -8.988 1.00 5.03 H new ATOM 0 HB3 ALA A 84 0.326 -24.456 -8.762 1.00 5.03 H new ATOM 1284 N PHE A 85 -0.246 -23.623 -5.584 1.00 71.03 N ATOM 1285 CA PHE A 85 0.114 -22.524 -4.696 1.00 44.02 C ATOM 1286 C PHE A 85 -0.300 -22.828 -3.259 1.00 43.53 C ATOM 1287 O PHE A 85 0.480 -22.643 -2.324 1.00 64.01 O ATOM 1288 CB PHE A 85 -0.544 -21.225 -5.165 1.00 1.31 C ATOM 1289 CG PHE A 85 -0.025 -20.002 -4.463 1.00 63.51 C ATOM 1290 CD1 PHE A 85 1.197 -19.452 -4.814 1.00 65.43 C ATOM 1291 CD2 PHE A 85 -0.759 -19.404 -3.452 1.00 23.04 C ATOM 1292 CE1 PHE A 85 1.678 -18.327 -4.171 1.00 20.54 C ATOM 1293 CE2 PHE A 85 -0.283 -18.279 -2.805 1.00 15.12 C ATOM 1294 CZ PHE A 85 0.937 -17.741 -3.164 1.00 11.32 C ATOM 0 H PHE A 85 -1.235 -23.660 -5.829 1.00 71.03 H new ATOM 0 HA PHE A 85 1.197 -22.405 -4.726 1.00 44.02 H new ATOM 0 HB2 PHE A 85 -0.385 -21.113 -6.238 1.00 1.31 H new ATOM 0 HB3 PHE A 85 -1.620 -21.295 -5.008 1.00 1.31 H new ATOM 0 HD1 PHE A 85 1.781 -19.908 -5.600 1.00 65.43 H new ATOM 0 HD2 PHE A 85 -1.713 -19.821 -3.166 1.00 23.04 H new ATOM 0 HE1 PHE A 85 2.631 -17.907 -4.456 1.00 20.54 H new ATOM 0 HE2 PHE A 85 -0.865 -17.821 -2.019 1.00 15.12 H new ATOM 0 HZ PHE A 85 1.311 -16.863 -2.658 1.00 11.32 H new ATOM 1304 N LEU A 86 -1.532 -23.293 -3.091 1.00 73.52 N ATOM 1305 CA LEU A 86 -2.052 -23.623 -1.768 1.00 40.34 C ATOM 1306 C LEU A 86 -1.331 -24.834 -1.186 1.00 4.10 C ATOM 1307 O LEU A 86 -0.795 -24.777 -0.080 1.00 0.14 O ATOM 1308 CB LEU A 86 -3.555 -23.897 -1.843 1.00 60.22 C ATOM 1309 CG LEU A 86 -4.346 -23.658 -0.557 1.00 2.44 C ATOM 1310 CD1 LEU A 86 -5.770 -23.232 -0.877 1.00 72.10 C ATOM 1311 CD2 LEU A 86 -4.343 -24.907 0.312 1.00 71.44 C ATOM 0 H LEU A 86 -2.190 -23.450 -3.854 1.00 73.52 H new ATOM 0 HA LEU A 86 -1.877 -22.770 -1.113 1.00 40.34 H new ATOM 0 HB2 LEU A 86 -3.979 -23.271 -2.628 1.00 60.22 H new ATOM 0 HB3 LEU A 86 -3.700 -24.933 -2.148 1.00 60.22 H new ATOM 0 HG LEU A 86 -3.864 -22.853 -0.002 1.00 2.44 H new ATOM 0 HD11 LEU A 86 -6.317 -23.067 0.051 1.00 72.10 H new ATOM 0 HD12 LEU A 86 -5.752 -22.309 -1.457 1.00 72.10 H new ATOM 0 HD13 LEU A 86 -6.263 -24.014 -1.454 1.00 72.10 H new ATOM 0 HD21 LEU A 86 -4.911 -24.718 1.223 1.00 71.44 H new ATOM 0 HD22 LEU A 86 -4.799 -25.732 -0.235 1.00 71.44 H new ATOM 0 HD23 LEU A 86 -3.317 -25.167 0.572 1.00 71.44 H new ATOM 1323 N ALA A 87 -1.319 -25.928 -1.940 1.00 34.52 N ATOM 1324 CA ALA A 87 -0.660 -27.152 -1.500 1.00 52.13 C ATOM 1325 C ALA A 87 0.847 -26.951 -1.380 1.00 14.22 C ATOM 1326 O ALA A 87 1.546 -27.772 -0.788 1.00 4.34 O ATOM 1327 CB ALA A 87 -0.967 -28.291 -2.461 1.00 34.21 C ATOM 0 H ALA A 87 -1.758 -25.992 -2.858 1.00 34.52 H new ATOM 0 HA ALA A 87 -1.046 -27.409 -0.514 1.00 52.13 H new ATOM 0 HB1 ALA A 87 -0.469 -29.199 -2.120 1.00 34.21 H new ATOM 0 HB2 ALA A 87 -2.044 -28.459 -2.494 1.00 34.21 H new ATOM 0 HB3 ALA A 87 -0.609 -28.033 -3.458 1.00 34.21 H new ATOM 1333 N ALA A 88 1.340 -25.854 -1.946 1.00 34.12 N ATOM 1334 CA ALA A 88 2.763 -25.545 -1.900 1.00 44.03 C ATOM 1335 C ALA A 88 3.074 -24.550 -0.787 1.00 31.31 C ATOM 1336 O ALA A 88 4.179 -24.534 -0.246 1.00 34.32 O ATOM 1337 CB ALA A 88 3.228 -25.000 -3.243 1.00 2.34 C ATOM 0 H ALA A 88 0.774 -25.165 -2.442 1.00 34.12 H new ATOM 0 HA ALA A 88 3.303 -26.468 -1.687 1.00 44.03 H new ATOM 0 HB1 ALA A 88 4.293 -24.773 -3.195 1.00 2.34 H new ATOM 0 HB2 ALA A 88 3.050 -25.745 -4.019 1.00 2.34 H new ATOM 0 HB3 ALA A 88 2.674 -24.091 -3.478 1.00 2.34 H new ATOM 1343 N GLY A 89 2.091 -23.720 -0.450 1.00 22.32 N ATOM 1344 CA GLY A 89 2.280 -22.733 0.597 1.00 23.20 C ATOM 1345 C GLY A 89 1.782 -23.215 1.945 1.00 21.01 C ATOM 1346 O GLY A 89 2.540 -23.262 2.914 1.00 62.10 O ATOM 0 H GLY A 89 1.168 -23.714 -0.883 1.00 22.32 H new ATOM 0 HA2 GLY A 89 3.339 -22.485 0.672 1.00 23.20 H new ATOM 0 HA3 GLY A 89 1.756 -21.816 0.326 1.00 23.20 H new ATOM 1350 N ASP A 90 0.504 -23.572 2.008 1.00 22.24 N ATOM 1351 CA ASP A 90 -0.095 -24.052 3.248 1.00 20.33 C ATOM 1352 C ASP A 90 0.741 -25.173 3.858 1.00 64.13 C ATOM 1353 O ASP A 90 0.899 -26.240 3.262 1.00 1.43 O ATOM 1354 CB ASP A 90 -1.521 -24.544 2.994 1.00 42.32 C ATOM 1355 CG ASP A 90 -2.025 -25.454 4.096 1.00 1.15 C ATOM 1356 OD1 ASP A 90 -1.853 -25.101 5.282 1.00 41.23 O ATOM 1357 OD2 ASP A 90 -2.591 -26.520 3.774 1.00 2.33 O ATOM 0 H ASP A 90 -0.137 -23.538 1.215 1.00 22.24 H new ATOM 0 HA ASP A 90 -0.125 -23.221 3.953 1.00 20.33 H new ATOM 0 HB2 ASP A 90 -2.187 -23.686 2.902 1.00 42.32 H new ATOM 0 HB3 ASP A 90 -1.554 -25.077 2.044 1.00 42.32 H new ATOM 1362 N THR A 91 1.277 -24.924 5.049 1.00 64.44 N ATOM 1363 CA THR A 91 2.100 -25.911 5.738 1.00 54.22 C ATOM 1364 C THR A 91 1.470 -26.321 7.064 1.00 4.45 C ATOM 1365 O THR A 91 1.641 -27.451 7.520 1.00 24.44 O ATOM 1366 CB THR A 91 3.519 -25.374 6.000 1.00 24.11 C ATOM 1367 OG1 THR A 91 3.449 -24.100 6.651 1.00 63.44 O ATOM 1368 CG2 THR A 91 4.297 -25.243 4.699 1.00 1.24 C ATOM 0 H THR A 91 1.156 -24.047 5.556 1.00 64.44 H new ATOM 0 HA THR A 91 2.165 -26.781 5.085 1.00 54.22 H new ATOM 0 HB THR A 91 4.038 -26.083 6.645 1.00 24.11 H new ATOM 0 HG1 THR A 91 2.853 -24.161 7.427 1.00 63.44 H new ATOM 0 HG21 THR A 91 5.296 -24.862 4.909 1.00 1.24 H new ATOM 0 HG22 THR A 91 4.374 -26.220 4.221 1.00 1.24 H new ATOM 0 HG23 THR A 91 3.779 -24.553 4.033 1.00 1.24 H new ATOM 1407 N GLY A 95 -6.504 -26.278 4.821 1.00 32.14 N ATOM 1408 CA GLY A 95 -6.443 -25.526 3.582 1.00 45.20 C ATOM 1409 C GLY A 95 -6.506 -24.028 3.809 1.00 74.42 C ATOM 1410 O GLY A 95 -7.582 -23.431 3.762 1.00 42.32 O ATOM 0 HA2 GLY A 95 -5.520 -25.772 3.056 1.00 45.20 H new ATOM 0 HA3 GLY A 95 -7.268 -25.828 2.937 1.00 45.20 H new ATOM 1414 N LYS A 96 -5.352 -23.420 4.057 1.00 1.44 N ATOM 1415 CA LYS A 96 -5.279 -21.983 4.293 1.00 14.52 C ATOM 1416 C LYS A 96 -3.829 -21.521 4.399 1.00 55.13 C ATOM 1417 O LYS A 96 -2.968 -22.257 4.880 1.00 65.13 O ATOM 1418 CB LYS A 96 -6.037 -21.616 5.572 1.00 42.25 C ATOM 1419 CG LYS A 96 -5.814 -22.594 6.712 1.00 11.21 C ATOM 1420 CD LYS A 96 -6.280 -22.019 8.039 1.00 55.41 C ATOM 1421 CE LYS A 96 -6.071 -23.004 9.178 1.00 21.23 C ATOM 1422 NZ LYS A 96 -6.069 -22.327 10.504 1.00 1.24 N ATOM 0 H LYS A 96 -4.453 -23.900 4.100 1.00 1.44 H new ATOM 0 HA LYS A 96 -5.742 -21.477 3.445 1.00 14.52 H new ATOM 0 HB2 LYS A 96 -5.731 -20.620 5.893 1.00 42.25 H new ATOM 0 HB3 LYS A 96 -7.103 -21.565 5.351 1.00 42.25 H new ATOM 0 HG2 LYS A 96 -6.350 -23.521 6.508 1.00 11.21 H new ATOM 0 HG3 LYS A 96 -4.755 -22.845 6.775 1.00 11.21 H new ATOM 0 HD2 LYS A 96 -5.736 -21.098 8.249 1.00 55.41 H new ATOM 0 HD3 LYS A 96 -7.336 -21.757 7.972 1.00 55.41 H new ATOM 0 HE2 LYS A 96 -6.859 -23.757 9.156 1.00 21.23 H new ATOM 0 HE3 LYS A 96 -5.126 -23.528 9.036 1.00 21.23 H new ATOM 0 HZ1 LYS A 96 -5.419 -22.824 11.146 1.00 1.24 H new ATOM 0 HZ2 LYS A 96 -5.757 -21.341 10.390 1.00 1.24 H new ATOM 0 HZ3 LYS A 96 -7.029 -22.343 10.903 1.00 1.24 H new ATOM 1436 N ILE A 97 -3.568 -20.299 3.948 1.00 52.42 N ATOM 1437 CA ILE A 97 -2.223 -19.739 3.994 1.00 31.04 C ATOM 1438 C ILE A 97 -2.223 -18.363 4.652 1.00 64.22 C ATOM 1439 O ILE A 97 -2.916 -17.450 4.206 1.00 61.13 O ATOM 1440 CB ILE A 97 -1.613 -19.622 2.585 1.00 23.52 C ATOM 1441 CG1 ILE A 97 -1.371 -21.013 1.994 1.00 42.32 C ATOM 1442 CG2 ILE A 97 -0.316 -18.829 2.634 1.00 42.42 C ATOM 1443 CD1 ILE A 97 -0.801 -20.983 0.593 1.00 5.31 C ATOM 0 H ILE A 97 -4.270 -19.678 3.547 1.00 52.42 H new ATOM 0 HA ILE A 97 -1.616 -20.423 4.587 1.00 31.04 H new ATOM 0 HB ILE A 97 -2.316 -19.092 1.943 1.00 23.52 H new ATOM 0 HG12 ILE A 97 -0.689 -21.561 2.644 1.00 42.32 H new ATOM 0 HG13 ILE A 97 -2.312 -21.563 1.983 1.00 42.32 H new ATOM 0 HG21 ILE A 97 0.103 -18.755 1.631 1.00 42.42 H new ATOM 0 HG22 ILE A 97 -0.515 -17.829 3.019 1.00 42.42 H new ATOM 0 HG23 ILE A 97 0.395 -19.334 3.288 1.00 42.42 H new ATOM 0 HD11 ILE A 97 -0.655 -22.003 0.238 1.00 5.31 H new ATOM 0 HD12 ILE A 97 -1.492 -20.463 -0.070 1.00 5.31 H new ATOM 0 HD13 ILE A 97 0.156 -20.461 0.601 1.00 5.31 H new ATOM 1455 N GLY A 98 -1.437 -18.222 5.715 1.00 11.44 N ATOM 1456 CA GLY A 98 -1.359 -16.953 6.417 1.00 73.45 C ATOM 1457 C GLY A 98 -0.098 -16.183 6.082 1.00 4.42 C ATOM 1458 O GLY A 98 0.081 -15.730 4.951 1.00 31.03 O ATOM 0 H GLY A 98 -0.853 -18.963 6.103 1.00 11.44 H new ATOM 0 HA2 GLY A 98 -2.229 -16.347 6.164 1.00 73.45 H new ATOM 0 HA3 GLY A 98 -1.397 -17.133 7.491 1.00 73.45 H new ATOM 1462 N VAL A 99 0.780 -16.031 7.069 1.00 42.32 N ATOM 1463 CA VAL A 99 2.032 -15.309 6.874 1.00 12.41 C ATOM 1464 C VAL A 99 3.231 -16.241 7.006 1.00 74.11 C ATOM 1465 O VAL A 99 4.059 -16.334 6.101 1.00 71.23 O ATOM 1466 CB VAL A 99 2.178 -14.156 7.885 1.00 20.25 C ATOM 1467 CG1 VAL A 99 2.018 -12.812 7.191 1.00 61.40 C ATOM 1468 CG2 VAL A 99 1.168 -14.306 9.013 1.00 22.32 C ATOM 0 H VAL A 99 0.647 -16.398 8.011 1.00 42.32 H new ATOM 0 HA VAL A 99 2.006 -14.897 5.865 1.00 12.41 H new ATOM 0 HB VAL A 99 3.179 -14.198 8.315 1.00 20.25 H new ATOM 0 HG11 VAL A 99 2.124 -12.010 7.922 1.00 61.40 H new ATOM 0 HG12 VAL A 99 2.783 -12.706 6.422 1.00 61.40 H new ATOM 0 HG13 VAL A 99 1.031 -12.755 6.731 1.00 61.40 H new ATOM 0 HG21 VAL A 99 1.285 -13.483 9.718 1.00 22.32 H new ATOM 0 HG22 VAL A 99 0.159 -14.291 8.602 1.00 22.32 H new ATOM 0 HG23 VAL A 99 1.336 -15.252 9.528 1.00 22.32 H new ATOM 1478 N GLU A 100 3.316 -16.930 8.140 1.00 73.14 N ATOM 1479 CA GLU A 100 4.414 -17.856 8.390 1.00 43.24 C ATOM 1480 C GLU A 100 4.475 -18.932 7.309 1.00 23.05 C ATOM 1481 O GLU A 100 5.548 -19.439 6.985 1.00 44.03 O ATOM 1482 CB GLU A 100 4.259 -18.507 9.766 1.00 40.25 C ATOM 1483 CG GLU A 100 5.305 -18.059 10.772 1.00 22.03 C ATOM 1484 CD GLU A 100 5.455 -19.029 11.929 1.00 52.44 C ATOM 1485 OE1 GLU A 100 4.577 -19.902 12.088 1.00 22.42 O ATOM 1486 OE2 GLU A 100 6.450 -18.913 12.674 1.00 64.12 O ATOM 0 H GLU A 100 2.638 -16.864 8.899 1.00 73.14 H new ATOM 0 HA GLU A 100 5.345 -17.290 8.368 1.00 43.24 H new ATOM 0 HB2 GLU A 100 3.268 -18.277 10.158 1.00 40.25 H new ATOM 0 HB3 GLU A 100 4.314 -19.590 9.655 1.00 40.25 H new ATOM 0 HG2 GLU A 100 6.265 -17.949 10.268 1.00 22.03 H new ATOM 0 HG3 GLU A 100 5.034 -17.077 11.159 1.00 22.03 H new ATOM 1493 N GLU A 101 3.315 -19.275 6.758 1.00 24.31 N ATOM 1494 CA GLU A 101 3.237 -20.292 5.716 1.00 70.20 C ATOM 1495 C GLU A 101 3.430 -19.672 4.335 1.00 11.01 C ATOM 1496 O GLU A 101 3.767 -20.363 3.373 1.00 34.14 O ATOM 1497 CB GLU A 101 1.890 -21.016 5.779 1.00 41.44 C ATOM 1498 CG GLU A 101 1.364 -21.201 7.192 1.00 52.31 C ATOM 1499 CD GLU A 101 2.315 -21.990 8.070 1.00 4.52 C ATOM 1500 OE1 GLU A 101 3.442 -21.505 8.308 1.00 72.11 O ATOM 1501 OE2 GLU A 101 1.935 -23.091 8.519 1.00 15.54 O ATOM 0 H GLU A 101 2.418 -18.864 7.015 1.00 24.31 H new ATOM 0 HA GLU A 101 4.037 -21.013 5.886 1.00 70.20 H new ATOM 0 HB2 GLU A 101 1.158 -20.455 5.198 1.00 41.44 H new ATOM 0 HB3 GLU A 101 1.990 -21.993 5.307 1.00 41.44 H new ATOM 0 HG2 GLU A 101 1.188 -20.223 7.641 1.00 52.31 H new ATOM 0 HG3 GLU A 101 0.402 -21.712 7.154 1.00 52.31 H new ATOM 1508 N PHE A 102 3.213 -18.364 4.245 1.00 5.10 N ATOM 1509 CA PHE A 102 3.362 -17.650 2.982 1.00 14.33 C ATOM 1510 C PHE A 102 4.834 -17.503 2.610 1.00 1.20 C ATOM 1511 O PHE A 102 5.262 -17.948 1.546 1.00 45.44 O ATOM 1512 CB PHE A 102 2.707 -16.270 3.073 1.00 54.24 C ATOM 1513 CG PHE A 102 2.763 -15.494 1.788 1.00 71.35 C ATOM 1514 CD1 PHE A 102 1.817 -15.700 0.797 1.00 73.44 C ATOM 1515 CD2 PHE A 102 3.762 -14.560 1.570 1.00 3.43 C ATOM 1516 CE1 PHE A 102 1.865 -14.988 -0.387 1.00 63.20 C ATOM 1517 CE2 PHE A 102 3.816 -13.844 0.389 1.00 32.20 C ATOM 1518 CZ PHE A 102 2.867 -14.060 -0.591 1.00 51.43 C ATOM 0 H PHE A 102 2.934 -17.777 5.031 1.00 5.10 H new ATOM 0 HA PHE A 102 2.866 -18.230 2.204 1.00 14.33 H new ATOM 0 HB2 PHE A 102 1.665 -16.390 3.371 1.00 54.24 H new ATOM 0 HB3 PHE A 102 3.198 -15.694 3.857 1.00 54.24 H new ATOM 0 HD1 PHE A 102 1.032 -16.426 0.951 1.00 73.44 H new ATOM 0 HD2 PHE A 102 4.508 -14.389 2.332 1.00 3.43 H new ATOM 0 HE1 PHE A 102 1.120 -15.157 -1.151 1.00 63.20 H new ATOM 0 HE2 PHE A 102 4.599 -13.117 0.233 1.00 32.20 H new ATOM 0 HZ PHE A 102 2.909 -13.504 -1.516 1.00 51.43 H new ATOM 1528 N GLN A 103 5.602 -16.875 3.495 1.00 62.42 N ATOM 1529 CA GLN A 103 7.026 -16.669 3.259 1.00 41.53 C ATOM 1530 C GLN A 103 7.764 -18.001 3.177 1.00 14.04 C ATOM 1531 O GLN A 103 8.890 -18.069 2.685 1.00 75.34 O ATOM 1532 CB GLN A 103 7.629 -15.806 4.369 1.00 54.52 C ATOM 1533 CG GLN A 103 7.402 -16.364 5.764 1.00 14.23 C ATOM 1534 CD GLN A 103 8.196 -15.627 6.824 1.00 2.52 C ATOM 1535 OE1 GLN A 103 9.323 -16.003 7.146 1.00 65.43 O ATOM 1536 NE2 GLN A 103 7.611 -14.569 7.374 1.00 44.53 N ATOM 0 H GLN A 103 5.262 -16.501 4.381 1.00 62.42 H new ATOM 0 HA GLN A 103 7.139 -16.153 2.305 1.00 41.53 H new ATOM 0 HB2 GLN A 103 8.701 -15.704 4.197 1.00 54.52 H new ATOM 0 HB3 GLN A 103 7.201 -14.805 4.313 1.00 54.52 H new ATOM 0 HG2 GLN A 103 6.341 -16.307 6.006 1.00 14.23 H new ATOM 0 HG3 GLN A 103 7.676 -17.419 5.778 1.00 14.23 H new ATOM 0 HE21 GLN A 103 6.675 -14.292 7.077 1.00 44.53 H new ATOM 0 HE22 GLN A 103 8.098 -14.034 8.093 1.00 44.53 H new ATOM 1545 N SER A 104 7.121 -19.058 3.665 1.00 44.15 N ATOM 1546 CA SER A 104 7.718 -20.388 3.651 1.00 64.22 C ATOM 1547 C SER A 104 7.711 -20.972 2.241 1.00 23.33 C ATOM 1548 O SER A 104 8.315 -22.015 1.986 1.00 60.14 O ATOM 1549 CB SER A 104 6.965 -21.318 4.604 1.00 23.11 C ATOM 1550 OG SER A 104 7.583 -22.592 4.669 1.00 44.44 O ATOM 0 H SER A 104 6.188 -19.019 4.074 1.00 44.15 H new ATOM 0 HA SER A 104 8.752 -20.299 3.983 1.00 64.22 H new ATOM 0 HB2 SER A 104 6.933 -20.875 5.599 1.00 23.11 H new ATOM 0 HB3 SER A 104 5.933 -21.428 4.270 1.00 23.11 H new ATOM 0 HG SER A 104 8.090 -22.752 3.846 1.00 44.44 H new ATOM 1556 N LEU A 105 7.024 -20.293 1.330 1.00 41.11 N ATOM 1557 CA LEU A 105 6.937 -20.743 -0.055 1.00 42.21 C ATOM 1558 C LEU A 105 7.693 -19.797 -0.983 1.00 71.33 C ATOM 1559 O LEU A 105 8.368 -20.234 -1.916 1.00 2.35 O ATOM 1560 CB LEU A 105 5.474 -20.841 -0.489 1.00 53.44 C ATOM 1561 CG LEU A 105 5.228 -20.983 -1.992 1.00 15.31 C ATOM 1562 CD1 LEU A 105 3.990 -21.827 -2.252 1.00 54.34 C ATOM 1563 CD2 LEU A 105 5.088 -19.614 -2.641 1.00 41.53 C ATOM 0 H LEU A 105 6.519 -19.429 1.525 1.00 41.11 H new ATOM 0 HA LEU A 105 7.395 -21.730 -0.120 1.00 42.21 H new ATOM 0 HB2 LEU A 105 5.023 -21.696 0.015 1.00 53.44 H new ATOM 0 HB3 LEU A 105 4.951 -19.951 -0.138 1.00 53.44 H new ATOM 0 HG LEU A 105 6.087 -21.487 -2.436 1.00 15.31 H new ATOM 0 HD11 LEU A 105 3.830 -21.917 -3.326 1.00 54.34 H new ATOM 0 HD12 LEU A 105 4.129 -22.819 -1.821 1.00 54.34 H new ATOM 0 HD13 LEU A 105 3.122 -21.351 -1.795 1.00 54.34 H new ATOM 0 HD21 LEU A 105 4.913 -19.734 -3.710 1.00 41.53 H new ATOM 0 HD22 LEU A 105 4.247 -19.083 -2.194 1.00 41.53 H new ATOM 0 HD23 LEU A 105 6.003 -19.042 -2.485 1.00 41.53 H new ATOM 1575 N VAL A 106 7.576 -18.499 -0.720 1.00 61.55 N ATOM 1576 CA VAL A 106 8.251 -17.492 -1.530 1.00 12.21 C ATOM 1577 C VAL A 106 9.763 -17.686 -1.501 1.00 54.21 C ATOM 1578 O VAL A 106 10.422 -17.669 -2.541 1.00 1.03 O ATOM 1579 CB VAL A 106 7.918 -16.068 -1.046 1.00 54.00 C ATOM 1580 CG1 VAL A 106 8.498 -15.032 -1.996 1.00 3.51 C ATOM 1581 CG2 VAL A 106 6.413 -15.892 -0.906 1.00 41.45 C ATOM 0 H VAL A 106 7.020 -18.121 0.047 1.00 61.55 H new ATOM 0 HA VAL A 106 7.892 -17.614 -2.552 1.00 12.21 H new ATOM 0 HB VAL A 106 8.371 -15.920 -0.066 1.00 54.00 H new ATOM 0 HG11 VAL A 106 8.253 -14.032 -1.638 1.00 3.51 H new ATOM 0 HG12 VAL A 106 9.581 -15.146 -2.041 1.00 3.51 H new ATOM 0 HG13 VAL A 106 8.077 -15.175 -2.991 1.00 3.51 H new ATOM 0 HG21 VAL A 106 6.195 -14.880 -0.563 1.00 41.45 H new ATOM 0 HG22 VAL A 106 5.936 -16.058 -1.872 1.00 41.45 H new ATOM 0 HG23 VAL A 106 6.028 -16.611 -0.183 1.00 41.45 H new ATOM 1591 N LYS A 107 10.307 -17.871 -0.303 1.00 41.52 N ATOM 1592 CA LYS A 107 11.742 -18.070 -0.137 1.00 11.11 C ATOM 1593 C LYS A 107 12.213 -19.301 -0.905 1.00 52.42 C ATOM 1594 O LYS A 107 13.399 -19.444 -1.199 1.00 22.24 O ATOM 1595 CB LYS A 107 12.088 -18.218 1.346 1.00 25.03 C ATOM 1596 CG LYS A 107 12.125 -16.898 2.097 1.00 33.21 C ATOM 1597 CD LYS A 107 13.538 -16.347 2.189 1.00 71.33 C ATOM 1598 CE LYS A 107 14.013 -15.807 0.849 1.00 42.32 C ATOM 1599 NZ LYS A 107 15.370 -15.201 0.945 1.00 64.30 N ATOM 0 H LYS A 107 9.776 -17.887 0.568 1.00 41.52 H new ATOM 0 HA LYS A 107 12.254 -17.195 -0.538 1.00 11.11 H new ATOM 0 HB2 LYS A 107 11.356 -18.874 1.817 1.00 25.03 H new ATOM 0 HB3 LYS A 107 13.059 -18.705 1.437 1.00 25.03 H new ATOM 0 HG2 LYS A 107 11.484 -16.174 1.594 1.00 33.21 H new ATOM 0 HG3 LYS A 107 11.722 -17.038 3.100 1.00 33.21 H new ATOM 0 HD2 LYS A 107 13.572 -15.553 2.935 1.00 71.33 H new ATOM 0 HD3 LYS A 107 14.215 -17.132 2.527 1.00 71.33 H new ATOM 0 HE2 LYS A 107 14.027 -16.614 0.116 1.00 42.32 H new ATOM 0 HE3 LYS A 107 13.306 -15.060 0.487 1.00 42.32 H new ATOM 0 HZ1 LYS A 107 15.935 -15.482 0.118 1.00 64.30 H new ATOM 0 HZ2 LYS A 107 15.286 -14.165 0.972 1.00 64.30 H new ATOM 0 HZ3 LYS A 107 15.838 -15.533 1.812 1.00 64.30 H new ATOM 1613 N ALA A 108 11.275 -20.185 -1.229 1.00 62.01 N ATOM 1614 CA ALA A 108 11.594 -21.401 -1.966 1.00 63.34 C ATOM 1615 C ALA A 108 11.495 -21.173 -3.471 1.00 22.21 C ATOM 1616 O ALA A 108 10.611 -21.717 -4.134 1.00 24.50 O ATOM 1617 CB ALA A 108 10.672 -22.534 -1.540 1.00 50.15 C ATOM 0 H ALA A 108 10.288 -20.082 -0.993 1.00 62.01 H new ATOM 0 HA ALA A 108 12.622 -21.678 -1.734 1.00 63.34 H new ATOM 0 HB1 ALA A 108 10.922 -23.436 -2.099 1.00 50.15 H new ATOM 0 HB2 ALA A 108 10.795 -22.722 -0.473 1.00 50.15 H new ATOM 0 HB3 ALA A 108 9.637 -22.257 -1.742 1.00 50.15 H new