USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 813 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 40 SER OG : rot 180:sc= 0.153 USER MOD Set 1.2: A 107 GLN : amide:sc= -1.58 X(o=-1.4,f=-1) USER MOD Set 2.1: A 25 SER OG : rot 180:sc= -0.224 USER MOD Set 2.2: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 170:sc= -0.877 USER MOD Single : A 3 THR OG1 : rot 52:sc= 0.183 USER MOD Single : A 7 SER OG : rot 180:sc= -0.225 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0768 USER MOD Single : A 18 CYS SG : rot -21:sc= 0.00283 USER MOD Single : A 19 GLN : amide:sc= -0.519 K(o=-0.52,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0327) USER MOD Single : A 31 GLN : amide:sc= -0.0352 X(o=-0.035,f=0) USER MOD Single : A 33 SER OG : rot 163:sc= -4.37! USER MOD Single : A 35 MET CE :methyl 161:sc= -0.156 (180deg=-0.726) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.49) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.4) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 51:sc= 0.0695 USER MOD Single : A 80 SER OG : rot -35:sc= 0.473 USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00636 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 93:sc= 0.428 USER MOD Single : A 91 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.054) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.956 X(o=-0.96,f=-0.81) USER MOD Single : A 105 MET CE :methyl 149:sc= -6.33! (180deg=-7.05!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.306 -0.015 -1.810 1.00 43.45 N ATOM 2 CA SER A 1 1.394 -0.208 -2.762 1.00 71.23 C ATOM 3 C SER A 1 1.920 -1.639 -2.703 1.00 34.22 C ATOM 4 O SER A 1 2.335 -2.117 -1.646 1.00 64.03 O ATOM 5 CB SER A 1 2.530 0.777 -2.478 1.00 73.42 C ATOM 6 OG SER A 1 3.654 0.508 -3.297 1.00 44.04 O ATOM 0 H1 SER A 1 -0.036 0.965 -1.868 1.00 43.45 H new ATOM 0 H2 SER A 1 -0.472 -0.667 -2.035 1.00 43.45 H new ATOM 0 H3 SER A 1 0.649 -0.206 -0.847 1.00 43.45 H new ATOM 0 HA SER A 1 1.005 -0.023 -3.763 1.00 71.23 H new ATOM 0 HB2 SER A 1 2.184 1.796 -2.653 1.00 73.42 H new ATOM 0 HB3 SER A 1 2.817 0.713 -1.428 1.00 73.42 H new ATOM 0 HG SER A 1 4.301 1.240 -3.216 1.00 44.04 H new ATOM 12 N LEU A 2 1.898 -2.318 -3.844 1.00 70.42 N ATOM 13 CA LEU A 2 2.372 -3.696 -3.924 1.00 42.30 C ATOM 14 C LEU A 2 3.755 -3.833 -3.296 1.00 45.41 C ATOM 15 O LEU A 2 3.944 -4.586 -2.340 1.00 63.25 O ATOM 16 CB LEU A 2 2.413 -4.158 -5.382 1.00 22.14 C ATOM 17 CG LEU A 2 1.191 -3.808 -6.231 1.00 71.43 C ATOM 18 CD1 LEU A 2 -0.056 -3.728 -5.365 1.00 12.43 C ATOM 19 CD2 LEU A 2 1.414 -2.498 -6.972 1.00 73.02 C ATOM 0 H LEU A 2 1.557 -1.937 -4.727 1.00 70.42 H new ATOM 0 HA LEU A 2 1.677 -4.326 -3.369 1.00 42.30 H new ATOM 0 HB2 LEU A 2 3.295 -3.726 -5.855 1.00 22.14 H new ATOM 0 HB3 LEU A 2 2.542 -5.240 -5.396 1.00 22.14 H new ATOM 0 HG LEU A 2 1.046 -4.598 -6.967 1.00 71.43 H new ATOM 0 HD11 LEU A 2 -0.915 -3.478 -5.987 1.00 12.43 H new ATOM 0 HD12 LEU A 2 -0.226 -4.690 -4.882 1.00 12.43 H new ATOM 0 HD13 LEU A 2 0.078 -2.959 -4.605 1.00 12.43 H new ATOM 0 HD21 LEU A 2 0.534 -2.265 -7.571 1.00 73.02 H new ATOM 0 HD22 LEU A 2 1.586 -1.698 -6.252 1.00 73.02 H new ATOM 0 HD23 LEU A 2 2.282 -2.592 -7.624 1.00 73.02 H new ATOM 31 N THR A 3 4.721 -3.097 -3.838 1.00 63.11 N ATOM 32 CA THR A 3 6.087 -3.135 -3.331 1.00 21.22 C ATOM 33 C THR A 3 6.579 -4.571 -3.182 1.00 54.54 C ATOM 34 O THR A 3 7.477 -4.850 -2.388 1.00 74.21 O ATOM 35 CB THR A 3 6.201 -2.422 -1.970 1.00 61.32 C ATOM 36 OG1 THR A 3 5.014 -2.643 -1.201 1.00 11.34 O ATOM 37 CG2 THR A 3 6.420 -0.929 -2.159 1.00 15.45 C ATOM 0 H THR A 3 4.582 -2.467 -4.628 1.00 63.11 H new ATOM 0 HA THR A 3 6.709 -2.614 -4.059 1.00 21.22 H new ATOM 0 HB THR A 3 7.059 -2.834 -1.438 1.00 61.32 H new ATOM 0 HG1 THR A 3 4.823 -3.604 -1.162 1.00 11.34 H new ATOM 0 HG21 THR A 3 6.497 -0.446 -1.185 1.00 15.45 H new ATOM 0 HG22 THR A 3 7.340 -0.764 -2.720 1.00 15.45 H new ATOM 0 HG23 THR A 3 5.580 -0.505 -2.708 1.00 15.45 H new ATOM 45 N ASP A 4 5.985 -5.477 -3.952 1.00 3.53 N ATOM 46 CA ASP A 4 6.365 -6.884 -3.907 1.00 15.00 C ATOM 47 C ASP A 4 6.610 -7.425 -5.312 1.00 24.42 C ATOM 48 O ASP A 4 6.932 -8.601 -5.487 1.00 22.13 O ATOM 49 CB ASP A 4 5.277 -7.705 -3.213 1.00 74.55 C ATOM 50 CG ASP A 4 5.472 -7.775 -1.712 1.00 3.23 C ATOM 51 OD1 ASP A 4 6.408 -8.473 -1.267 1.00 12.55 O ATOM 52 OD2 ASP A 4 4.691 -7.131 -0.982 1.00 13.43 O ATOM 0 H ASP A 4 5.239 -5.262 -4.614 1.00 3.53 H new ATOM 0 HA ASP A 4 7.291 -6.968 -3.338 1.00 15.00 H new ATOM 0 HB2 ASP A 4 4.302 -7.268 -3.430 1.00 74.55 H new ATOM 0 HB3 ASP A 4 5.271 -8.715 -3.623 1.00 74.55 H new ATOM 57 N ILE A 5 6.456 -6.561 -6.309 1.00 33.00 N ATOM 58 CA ILE A 5 6.661 -6.953 -7.698 1.00 11.02 C ATOM 59 C ILE A 5 7.416 -5.874 -8.468 1.00 35.44 C ATOM 60 O ILE A 5 8.570 -6.064 -8.853 1.00 40.11 O ATOM 61 CB ILE A 5 5.323 -7.233 -8.407 1.00 60.33 C ATOM 62 CG1 ILE A 5 4.476 -8.204 -7.581 1.00 43.14 C ATOM 63 CG2 ILE A 5 5.569 -7.791 -9.801 1.00 44.22 C ATOM 64 CD1 ILE A 5 3.520 -7.515 -6.634 1.00 35.24 C ATOM 0 H ILE A 5 6.190 -5.585 -6.181 1.00 33.00 H new ATOM 0 HA ILE A 5 7.254 -7.868 -7.684 1.00 11.02 H new ATOM 0 HB ILE A 5 4.777 -6.295 -8.503 1.00 60.33 H new ATOM 0 HG12 ILE A 5 3.908 -8.843 -8.257 1.00 43.14 H new ATOM 0 HG13 ILE A 5 5.137 -8.854 -7.008 1.00 43.14 H new ATOM 0 HG21 ILE A 5 4.614 -7.984 -10.289 1.00 44.22 H new ATOM 0 HG22 ILE A 5 6.137 -7.069 -10.387 1.00 44.22 H new ATOM 0 HG23 ILE A 5 6.133 -8.721 -9.726 1.00 44.22 H new ATOM 0 HD11 ILE A 5 2.952 -8.264 -6.081 1.00 35.24 H new ATOM 0 HD12 ILE A 5 4.083 -6.897 -5.934 1.00 35.24 H new ATOM 0 HD13 ILE A 5 2.834 -6.887 -7.202 1.00 35.24 H new ATOM 76 N LEU A 6 6.757 -4.742 -8.687 1.00 0.31 N ATOM 77 CA LEU A 6 7.366 -3.630 -9.409 1.00 70.33 C ATOM 78 C LEU A 6 7.933 -2.597 -8.441 1.00 63.12 C ATOM 79 O LEU A 6 7.529 -2.532 -7.280 1.00 64.02 O ATOM 80 CB LEU A 6 6.339 -2.972 -10.331 1.00 55.45 C ATOM 81 CG LEU A 6 6.061 -3.693 -11.651 1.00 42.20 C ATOM 82 CD1 LEU A 6 4.676 -3.341 -12.171 1.00 42.51 C ATOM 83 CD2 LEU A 6 7.125 -3.345 -12.683 1.00 34.05 C ATOM 0 H LEU A 6 5.801 -4.570 -8.375 1.00 0.31 H new ATOM 0 HA LEU A 6 8.185 -4.025 -10.010 1.00 70.33 H new ATOM 0 HB2 LEU A 6 5.399 -2.878 -9.787 1.00 55.45 H new ATOM 0 HB3 LEU A 6 6.679 -1.961 -10.557 1.00 55.45 H new ATOM 0 HG LEU A 6 6.096 -4.767 -11.470 1.00 42.20 H new ATOM 0 HD11 LEU A 6 4.497 -3.863 -13.111 1.00 42.51 H new ATOM 0 HD12 LEU A 6 3.926 -3.641 -11.440 1.00 42.51 H new ATOM 0 HD13 LEU A 6 4.612 -2.265 -12.336 1.00 42.51 H new ATOM 0 HD21 LEU A 6 6.911 -3.867 -13.616 1.00 34.05 H new ATOM 0 HD22 LEU A 6 7.122 -2.269 -12.860 1.00 34.05 H new ATOM 0 HD23 LEU A 6 8.104 -3.649 -12.313 1.00 34.05 H new ATOM 95 N SER A 7 8.871 -1.790 -8.928 1.00 14.24 N ATOM 96 CA SER A 7 9.495 -0.760 -8.105 1.00 32.20 C ATOM 97 C SER A 7 8.557 0.429 -7.919 1.00 43.02 C ATOM 98 O SER A 7 7.603 0.623 -8.672 1.00 52.42 O ATOM 99 CB SER A 7 10.807 -0.296 -8.740 1.00 54.45 C ATOM 100 OG SER A 7 11.920 -0.687 -7.956 1.00 10.31 O ATOM 0 H SER A 7 9.215 -1.830 -9.887 1.00 14.24 H new ATOM 0 HA SER A 7 9.706 -1.190 -7.126 1.00 32.20 H new ATOM 0 HB2 SER A 7 10.898 -0.716 -9.742 1.00 54.45 H new ATOM 0 HB3 SER A 7 10.798 0.789 -8.849 1.00 54.45 H new ATOM 0 HG SER A 7 12.746 -0.380 -8.385 1.00 10.31 H new ATOM 106 N PRO A 8 8.835 1.245 -6.891 1.00 53.04 N ATOM 107 CA PRO A 8 8.029 2.430 -6.582 1.00 21.14 C ATOM 108 C PRO A 8 8.190 3.530 -7.626 1.00 21.44 C ATOM 109 O PRO A 8 7.205 4.081 -8.117 1.00 64.01 O ATOM 110 CB PRO A 8 8.581 2.891 -5.230 1.00 71.42 C ATOM 111 CG PRO A 8 9.977 2.372 -5.195 1.00 2.53 C ATOM 112 CD PRO A 8 9.957 1.074 -5.953 1.00 54.20 C ATOM 0 HA PRO A 8 6.962 2.205 -6.569 1.00 21.14 H new ATOM 0 HB2 PRO A 8 8.560 3.977 -5.143 1.00 71.42 H new ATOM 0 HB3 PRO A 8 7.990 2.494 -4.405 1.00 71.42 H new ATOM 0 HG2 PRO A 8 10.668 3.080 -5.653 1.00 2.53 H new ATOM 0 HG3 PRO A 8 10.311 2.219 -4.169 1.00 2.53 H new ATOM 0 HD2 PRO A 8 10.897 0.900 -6.478 1.00 54.20 H new ATOM 0 HD3 PRO A 8 9.800 0.223 -5.290 1.00 54.20 H new ATOM 120 N SER A 9 9.438 3.843 -7.960 1.00 54.43 N ATOM 121 CA SER A 9 9.727 4.880 -8.944 1.00 44.10 C ATOM 122 C SER A 9 8.994 4.606 -10.254 1.00 10.54 C ATOM 123 O SER A 9 8.379 5.502 -10.832 1.00 53.32 O ATOM 124 CB SER A 9 11.234 4.965 -9.198 1.00 54.10 C ATOM 125 OG SER A 9 11.966 4.438 -8.105 1.00 13.30 O ATOM 0 H SER A 9 10.264 3.394 -7.564 1.00 54.43 H new ATOM 0 HA SER A 9 9.378 5.832 -8.545 1.00 44.10 H new ATOM 0 HB2 SER A 9 11.484 4.416 -10.106 1.00 54.10 H new ATOM 0 HB3 SER A 9 11.520 6.004 -9.364 1.00 54.10 H new ATOM 0 HG SER A 9 12.926 4.502 -8.293 1.00 13.30 H new ATOM 131 N ASP A 10 9.064 3.363 -10.715 1.00 24.31 N ATOM 132 CA ASP A 10 8.407 2.969 -11.956 1.00 11.04 C ATOM 133 C ASP A 10 6.905 3.228 -11.881 1.00 4.12 C ATOM 134 O ASP A 10 6.274 3.569 -12.882 1.00 1.15 O ATOM 135 CB ASP A 10 8.668 1.491 -12.249 1.00 71.13 C ATOM 136 CG ASP A 10 10.107 1.224 -12.643 1.00 44.33 C ATOM 137 OD1 ASP A 10 10.551 1.772 -13.674 1.00 60.31 O ATOM 138 OD2 ASP A 10 10.790 0.467 -11.921 1.00 42.53 O ATOM 0 H ASP A 10 9.569 2.610 -10.248 1.00 24.31 H new ATOM 0 HA ASP A 10 8.822 3.570 -12.765 1.00 11.04 H new ATOM 0 HB2 ASP A 10 8.420 0.900 -11.368 1.00 71.13 H new ATOM 0 HB3 ASP A 10 8.008 1.160 -13.051 1.00 71.13 H new ATOM 143 N ILE A 11 6.340 3.063 -10.690 1.00 4.14 N ATOM 144 CA ILE A 11 4.913 3.279 -10.485 1.00 45.20 C ATOM 145 C ILE A 11 4.591 4.767 -10.392 1.00 34.41 C ATOM 146 O ILE A 11 3.718 5.268 -11.100 1.00 15.15 O ATOM 147 CB ILE A 11 4.415 2.576 -9.209 1.00 10.34 C ATOM 148 CG1 ILE A 11 4.554 1.059 -9.348 1.00 63.02 C ATOM 149 CG2 ILE A 11 2.970 2.957 -8.924 1.00 53.03 C ATOM 150 CD1 ILE A 11 4.781 0.349 -8.032 1.00 3.32 C ATOM 0 H ILE A 11 6.849 2.780 -9.852 1.00 4.14 H new ATOM 0 HA ILE A 11 4.401 2.852 -11.348 1.00 45.20 H new ATOM 0 HB ILE A 11 5.029 2.902 -8.370 1.00 10.34 H new ATOM 0 HG12 ILE A 11 3.653 0.661 -9.815 1.00 63.02 H new ATOM 0 HG13 ILE A 11 5.385 0.838 -10.018 1.00 63.02 H new ATOM 0 HG21 ILE A 11 2.632 2.452 -8.019 1.00 53.03 H new ATOM 0 HG22 ILE A 11 2.899 4.036 -8.786 1.00 53.03 H new ATOM 0 HG23 ILE A 11 2.342 2.656 -9.763 1.00 53.03 H new ATOM 0 HD11 ILE A 11 4.870 -0.723 -8.208 1.00 3.32 H new ATOM 0 HD12 ILE A 11 5.698 0.719 -7.572 1.00 3.32 H new ATOM 0 HD13 ILE A 11 3.939 0.539 -7.366 1.00 3.32 H new ATOM 162 N ALA A 12 5.302 5.467 -9.515 1.00 43.31 N ATOM 163 CA ALA A 12 5.094 6.898 -9.332 1.00 44.31 C ATOM 164 C ALA A 12 5.218 7.645 -10.656 1.00 60.20 C ATOM 165 O ALA A 12 4.567 8.668 -10.866 1.00 33.42 O ATOM 166 CB ALA A 12 6.086 7.450 -8.318 1.00 53.22 C ATOM 0 H ALA A 12 6.027 5.067 -8.920 1.00 43.31 H new ATOM 0 HA ALA A 12 4.083 7.047 -8.954 1.00 44.31 H new ATOM 0 HB1 ALA A 12 5.919 8.520 -8.191 1.00 53.22 H new ATOM 0 HB2 ALA A 12 5.948 6.945 -7.362 1.00 53.22 H new ATOM 0 HB3 ALA A 12 7.102 7.281 -8.674 1.00 53.22 H new ATOM 172 N ALA A 13 6.058 7.127 -11.546 1.00 24.12 N ATOM 173 CA ALA A 13 6.266 7.744 -12.850 1.00 1.11 C ATOM 174 C ALA A 13 5.083 7.482 -13.776 1.00 65.40 C ATOM 175 O ALA A 13 4.797 8.274 -14.673 1.00 3.44 O ATOM 176 CB ALA A 13 7.554 7.232 -13.477 1.00 61.31 C ATOM 0 H ALA A 13 6.606 6.281 -11.388 1.00 24.12 H new ATOM 0 HA ALA A 13 6.349 8.821 -12.706 1.00 1.11 H new ATOM 0 HB1 ALA A 13 7.696 7.701 -14.450 1.00 61.31 H new ATOM 0 HB2 ALA A 13 8.396 7.477 -12.830 1.00 61.31 H new ATOM 0 HB3 ALA A 13 7.494 6.151 -13.601 1.00 61.31 H new ATOM 182 N ALA A 14 4.400 6.364 -13.553 1.00 62.44 N ATOM 183 CA ALA A 14 3.248 5.998 -14.367 1.00 72.35 C ATOM 184 C ALA A 14 1.965 6.600 -13.805 1.00 32.33 C ATOM 185 O ALA A 14 1.003 6.835 -14.538 1.00 45.11 O ATOM 186 CB ALA A 14 3.126 4.484 -14.460 1.00 64.11 C ATOM 0 H ALA A 14 4.625 5.696 -12.815 1.00 62.44 H new ATOM 0 HA ALA A 14 3.400 6.401 -15.368 1.00 72.35 H new ATOM 0 HB1 ALA A 14 2.261 4.226 -15.071 1.00 64.11 H new ATOM 0 HB2 ALA A 14 4.027 4.074 -14.915 1.00 64.11 H new ATOM 0 HB3 ALA A 14 3.002 4.067 -13.461 1.00 64.11 H new ATOM 192 N LEU A 15 1.956 6.846 -12.499 1.00 55.34 N ATOM 193 CA LEU A 15 0.789 7.421 -11.838 1.00 23.14 C ATOM 194 C LEU A 15 0.609 8.885 -12.226 1.00 71.21 C ATOM 195 O LEU A 15 -0.454 9.285 -12.702 1.00 21.42 O ATOM 196 CB LEU A 15 0.928 7.298 -10.319 1.00 72.32 C ATOM 197 CG LEU A 15 0.543 5.946 -9.718 1.00 21.44 C ATOM 198 CD1 LEU A 15 0.758 5.950 -8.212 1.00 43.52 C ATOM 199 CD2 LEU A 15 -0.902 5.606 -10.050 1.00 74.35 C ATOM 0 H LEU A 15 2.742 6.657 -11.878 1.00 55.34 H new ATOM 0 HA LEU A 15 -0.092 6.867 -12.163 1.00 23.14 H new ATOM 0 HB2 LEU A 15 1.963 7.511 -10.050 1.00 72.32 H new ATOM 0 HB3 LEU A 15 0.313 8.068 -9.854 1.00 72.32 H new ATOM 0 HG LEU A 15 1.185 5.181 -10.155 1.00 21.44 H new ATOM 0 HD11 LEU A 15 0.479 4.979 -7.802 1.00 43.52 H new ATOM 0 HD12 LEU A 15 1.808 6.147 -7.995 1.00 43.52 H new ATOM 0 HD13 LEU A 15 0.142 6.726 -7.759 1.00 43.52 H new ATOM 0 HD21 LEU A 15 -1.158 4.640 -9.614 1.00 74.35 H new ATOM 0 HD22 LEU A 15 -1.559 6.374 -9.642 1.00 74.35 H new ATOM 0 HD23 LEU A 15 -1.026 5.560 -11.132 1.00 74.35 H new ATOM 211 N ARG A 16 1.655 9.679 -12.022 1.00 53.01 N ATOM 212 CA ARG A 16 1.612 11.098 -12.352 1.00 10.50 C ATOM 213 C ARG A 16 1.614 11.306 -13.864 1.00 31.43 C ATOM 214 O ARG A 16 1.378 12.412 -14.349 1.00 42.20 O ATOM 215 CB ARG A 16 2.803 11.826 -11.725 1.00 62.43 C ATOM 216 CG ARG A 16 3.039 11.465 -10.268 1.00 34.03 C ATOM 217 CD ARG A 16 2.033 12.149 -9.355 1.00 51.11 C ATOM 218 NE ARG A 16 2.275 13.586 -9.253 1.00 72.33 N ATOM 219 CZ ARG A 16 1.393 14.446 -8.757 1.00 1.24 C ATOM 220 NH1 ARG A 16 0.218 14.017 -8.318 1.00 53.12 N ATOM 221 NH2 ARG A 16 1.687 15.739 -8.697 1.00 74.21 N ATOM 0 H ARG A 16 2.542 9.364 -11.630 1.00 53.01 H new ATOM 0 HA ARG A 16 0.688 11.511 -11.947 1.00 10.50 H new ATOM 0 HB2 ARG A 16 3.701 11.596 -12.298 1.00 62.43 H new ATOM 0 HB3 ARG A 16 2.643 12.901 -11.803 1.00 62.43 H new ATOM 0 HG2 ARG A 16 2.969 10.384 -10.144 1.00 34.03 H new ATOM 0 HG3 ARG A 16 4.050 11.754 -9.979 1.00 34.03 H new ATOM 0 HD2 ARG A 16 1.025 11.977 -9.733 1.00 51.11 H new ATOM 0 HD3 ARG A 16 2.082 11.702 -8.362 1.00 51.11 H new ATOM 0 HE ARG A 16 3.170 13.949 -9.581 1.00 72.33 H new ATOM 0 HH11 ARG A 16 -0.011 13.024 -8.361 1.00 53.12 H new ATOM 0 HH12 ARG A 16 -0.457 14.680 -7.938 1.00 53.12 H new ATOM 0 HH21 ARG A 16 2.591 16.073 -9.032 1.00 74.21 H new ATOM 0 HH22 ARG A 16 1.009 16.399 -8.316 1.00 74.21 H new ATOM 235 N ASP A 17 1.882 10.234 -14.602 1.00 11.20 N ATOM 236 CA ASP A 17 1.914 10.298 -16.059 1.00 22.15 C ATOM 237 C ASP A 17 0.502 10.376 -16.630 1.00 61.15 C ATOM 238 O ASP A 17 0.248 11.112 -17.585 1.00 21.12 O ATOM 239 CB ASP A 17 2.642 9.079 -16.628 1.00 33.24 C ATOM 240 CG ASP A 17 2.377 8.886 -18.108 1.00 23.31 C ATOM 241 OD1 ASP A 17 2.696 9.804 -18.893 1.00 25.53 O ATOM 242 OD2 ASP A 17 1.852 7.816 -18.482 1.00 1.52 O ATOM 0 H ASP A 17 2.080 9.311 -14.216 1.00 11.20 H new ATOM 0 HA ASP A 17 2.453 11.200 -16.347 1.00 22.15 H new ATOM 0 HB2 ASP A 17 3.714 9.191 -16.465 1.00 33.24 H new ATOM 0 HB3 ASP A 17 2.329 8.187 -16.086 1.00 33.24 H new ATOM 247 N CYS A 18 -0.412 9.612 -16.042 1.00 42.31 N ATOM 248 CA CYS A 18 -1.798 9.593 -16.494 1.00 54.44 C ATOM 249 C CYS A 18 -2.757 9.617 -15.309 1.00 34.04 C ATOM 250 O CYS A 18 -3.796 8.956 -15.325 1.00 44.44 O ATOM 251 CB CYS A 18 -2.060 8.355 -17.353 1.00 2.02 C ATOM 252 SG CYS A 18 -1.394 6.823 -16.661 1.00 10.15 S ATOM 0 H CYS A 18 -0.218 8.998 -15.251 1.00 42.31 H new ATOM 0 HA CYS A 18 -1.970 10.486 -17.095 1.00 54.44 H new ATOM 0 HB2 CYS A 18 -3.135 8.242 -17.490 1.00 2.02 H new ATOM 0 HB3 CYS A 18 -1.628 8.513 -18.341 1.00 2.02 H new ATOM 0 HG CYS A 18 -0.448 7.104 -15.815 1.00 10.15 H new ATOM 258 N GLN A 19 -2.401 10.381 -14.281 1.00 21.30 N ATOM 259 CA GLN A 19 -3.229 10.488 -13.086 1.00 32.32 C ATOM 260 C GLN A 19 -4.609 11.041 -13.427 1.00 43.33 C ATOM 261 O GLN A 19 -5.610 10.653 -12.827 1.00 11.25 O ATOM 262 CB GLN A 19 -2.550 11.383 -12.047 1.00 72.45 C ATOM 263 CG GLN A 19 -1.993 12.673 -12.627 1.00 74.23 C ATOM 264 CD GLN A 19 -1.808 13.752 -11.579 1.00 34.23 C ATOM 265 OE1 GLN A 19 -2.779 14.319 -11.077 1.00 54.44 O ATOM 266 NE2 GLN A 19 -0.557 14.041 -11.241 1.00 12.12 N ATOM 0 H GLN A 19 -1.545 10.935 -14.252 1.00 21.30 H new ATOM 0 HA GLN A 19 -3.351 9.488 -12.669 1.00 32.32 H new ATOM 0 HB2 GLN A 19 -3.268 11.627 -11.264 1.00 72.45 H new ATOM 0 HB3 GLN A 19 -1.740 10.827 -11.574 1.00 72.45 H new ATOM 0 HG2 GLN A 19 -1.035 12.468 -13.105 1.00 74.23 H new ATOM 0 HG3 GLN A 19 -2.665 13.038 -13.404 1.00 74.23 H new ATOM 0 HE21 GLN A 19 0.218 13.546 -11.683 1.00 12.12 H new ATOM 0 HE22 GLN A 19 -0.371 14.758 -10.540 1.00 12.12 H new ATOM 275 N ALA A 20 -4.653 11.951 -14.395 1.00 62.35 N ATOM 276 CA ALA A 20 -5.909 12.556 -14.818 1.00 15.41 C ATOM 277 C ALA A 20 -6.942 11.490 -15.169 1.00 0.51 C ATOM 278 O ALA A 20 -6.609 10.390 -15.610 1.00 3.32 O ATOM 279 CB ALA A 20 -5.678 13.480 -16.004 1.00 45.24 C ATOM 0 H ALA A 20 -3.833 12.285 -14.901 1.00 62.35 H new ATOM 0 HA ALA A 20 -6.299 13.142 -13.986 1.00 15.41 H new ATOM 0 HB1 ALA A 20 -6.625 13.925 -16.309 1.00 45.24 H new ATOM 0 HB2 ALA A 20 -4.981 14.269 -15.720 1.00 45.24 H new ATOM 0 HB3 ALA A 20 -5.261 12.909 -16.834 1.00 45.24 H new ATOM 285 N PRO A 21 -8.226 11.821 -14.969 1.00 14.10 N ATOM 286 CA PRO A 21 -9.334 10.905 -15.258 1.00 2.11 C ATOM 287 C PRO A 21 -9.523 10.678 -16.754 1.00 12.22 C ATOM 288 O PRO A 21 -9.235 11.557 -17.566 1.00 42.21 O ATOM 289 CB PRO A 21 -10.551 11.622 -14.668 1.00 5.24 C ATOM 290 CG PRO A 21 -10.181 13.066 -14.678 1.00 35.51 C ATOM 291 CD PRO A 21 -8.697 13.115 -14.446 1.00 24.10 C ATOM 0 HA PRO A 21 -9.162 9.913 -14.839 1.00 2.11 H new ATOM 0 HB2 PRO A 21 -11.446 11.438 -15.263 1.00 5.24 H new ATOM 0 HB3 PRO A 21 -10.764 11.275 -13.657 1.00 5.24 H new ATOM 0 HG2 PRO A 21 -10.443 13.529 -15.629 1.00 35.51 H new ATOM 0 HG3 PRO A 21 -10.716 13.611 -13.900 1.00 35.51 H new ATOM 0 HD2 PRO A 21 -8.236 13.952 -14.970 1.00 24.10 H new ATOM 0 HD3 PRO A 21 -8.459 13.231 -13.389 1.00 24.10 H new ATOM 299 N ASP A 22 -10.010 9.495 -17.111 1.00 23.31 N ATOM 300 CA ASP A 22 -10.239 9.153 -18.510 1.00 32.01 C ATOM 301 C ASP A 22 -9.076 9.618 -19.381 1.00 31.03 C ATOM 302 O ASP A 22 -9.269 10.021 -20.528 1.00 21.03 O ATOM 303 CB ASP A 22 -11.544 9.780 -19.003 1.00 12.11 C ATOM 304 CG ASP A 22 -11.457 11.290 -19.111 1.00 25.33 C ATOM 305 OD1 ASP A 22 -11.728 11.974 -18.101 1.00 61.25 O ATOM 306 OD2 ASP A 22 -11.116 11.787 -20.204 1.00 43.20 O ATOM 0 H ASP A 22 -10.254 8.757 -16.451 1.00 23.31 H new ATOM 0 HA ASP A 22 -10.315 8.068 -18.586 1.00 32.01 H new ATOM 0 HB2 ASP A 22 -11.798 9.363 -19.977 1.00 12.11 H new ATOM 0 HB3 ASP A 22 -12.352 9.513 -18.321 1.00 12.11 H new ATOM 311 N SER A 23 -7.869 9.560 -18.827 1.00 50.13 N ATOM 312 CA SER A 23 -6.675 9.980 -19.552 1.00 31.14 C ATOM 313 C SER A 23 -5.646 8.855 -19.601 1.00 21.20 C ATOM 314 O SER A 23 -4.511 9.054 -20.035 1.00 52.40 O ATOM 315 CB SER A 23 -6.063 11.218 -18.894 1.00 2.11 C ATOM 316 OG SER A 23 -6.607 12.407 -19.440 1.00 3.32 O ATOM 0 H SER A 23 -7.692 9.227 -17.879 1.00 50.13 H new ATOM 0 HA SER A 23 -6.967 10.227 -20.573 1.00 31.14 H new ATOM 0 HB2 SER A 23 -6.246 11.191 -17.820 1.00 2.11 H new ATOM 0 HB3 SER A 23 -4.982 11.211 -19.034 1.00 2.11 H new ATOM 0 HG SER A 23 -6.201 13.184 -19.002 1.00 3.32 H new ATOM 322 N PHE A 24 -6.051 7.671 -19.153 1.00 2.13 N ATOM 323 CA PHE A 24 -5.165 6.513 -19.144 1.00 64.01 C ATOM 324 C PHE A 24 -5.847 5.301 -19.771 1.00 75.01 C ATOM 325 O PHE A 24 -7.004 5.372 -20.187 1.00 0.55 O ATOM 326 CB PHE A 24 -4.732 6.185 -17.713 1.00 54.53 C ATOM 327 CG PHE A 24 -5.631 5.197 -17.027 1.00 60.42 C ATOM 328 CD1 PHE A 24 -6.992 5.434 -16.923 1.00 31.14 C ATOM 329 CD2 PHE A 24 -5.115 4.030 -16.487 1.00 63.34 C ATOM 330 CE1 PHE A 24 -7.821 4.526 -16.291 1.00 21.10 C ATOM 331 CE2 PHE A 24 -5.939 3.118 -15.855 1.00 23.20 C ATOM 332 CZ PHE A 24 -7.294 3.366 -15.758 1.00 22.13 C ATOM 0 H PHE A 24 -6.987 7.488 -18.791 1.00 2.13 H new ATOM 0 HA PHE A 24 -4.283 6.758 -19.736 1.00 64.01 H new ATOM 0 HB2 PHE A 24 -3.717 5.789 -17.731 1.00 54.53 H new ATOM 0 HB3 PHE A 24 -4.705 7.106 -17.130 1.00 54.53 H new ATOM 0 HD1 PHE A 24 -7.410 6.338 -17.340 1.00 31.14 H new ATOM 0 HD2 PHE A 24 -4.056 3.831 -16.561 1.00 63.34 H new ATOM 0 HE1 PHE A 24 -8.880 4.724 -16.214 1.00 21.10 H new ATOM 0 HE2 PHE A 24 -5.524 2.213 -15.438 1.00 23.20 H new ATOM 0 HZ PHE A 24 -7.940 2.654 -15.266 1.00 22.13 H new ATOM 342 N SER A 25 -5.123 4.189 -19.836 1.00 65.24 N ATOM 343 CA SER A 25 -5.656 2.962 -20.416 1.00 63.25 C ATOM 344 C SER A 25 -5.156 1.739 -19.654 1.00 32.53 C ATOM 345 O SER A 25 -4.135 1.778 -18.967 1.00 32.32 O ATOM 346 CB SER A 25 -5.259 2.855 -21.890 1.00 60.02 C ATOM 347 OG SER A 25 -6.397 2.927 -22.731 1.00 72.32 O ATOM 0 H SER A 25 -4.165 4.112 -19.494 1.00 65.24 H new ATOM 0 HA SER A 25 -6.743 2.997 -20.341 1.00 63.25 H new ATOM 0 HB2 SER A 25 -4.565 3.657 -22.142 1.00 60.02 H new ATOM 0 HB3 SER A 25 -4.735 1.915 -22.061 1.00 60.02 H new ATOM 0 HG SER A 25 -6.117 2.858 -23.667 1.00 72.32 H new ATOM 353 N PRO A 26 -5.893 0.624 -19.776 1.00 40.42 N ATOM 354 CA PRO A 26 -5.545 -0.632 -19.107 1.00 31.35 C ATOM 355 C PRO A 26 -4.295 -1.277 -19.696 1.00 51.40 C ATOM 356 O PRO A 26 -3.744 -2.221 -19.130 1.00 35.04 O ATOM 357 CB PRO A 26 -6.770 -1.517 -19.354 1.00 2.24 C ATOM 358 CG PRO A 26 -7.383 -0.975 -20.598 1.00 72.15 C ATOM 359 CD PRO A 26 -7.122 0.506 -20.578 1.00 71.45 C ATOM 0 HA PRO A 26 -5.316 -0.481 -18.052 1.00 31.35 H new ATOM 0 HB2 PRO A 26 -6.485 -2.562 -19.476 1.00 2.24 H new ATOM 0 HB3 PRO A 26 -7.467 -1.472 -18.517 1.00 2.24 H new ATOM 0 HG2 PRO A 26 -6.944 -1.437 -21.482 1.00 72.15 H new ATOM 0 HG3 PRO A 26 -8.453 -1.182 -20.628 1.00 72.15 H new ATOM 0 HD2 PRO A 26 -6.986 0.904 -21.584 1.00 71.45 H new ATOM 0 HD3 PRO A 26 -7.950 1.054 -20.128 1.00 71.45 H new ATOM 367 N LYS A 27 -3.851 -0.760 -20.837 1.00 22.22 N ATOM 368 CA LYS A 27 -2.664 -1.283 -21.503 1.00 72.53 C ATOM 369 C LYS A 27 -1.630 -0.183 -21.716 1.00 4.15 C ATOM 370 O LYS A 27 -0.892 -0.191 -22.702 1.00 35.03 O ATOM 371 CB LYS A 27 -3.043 -1.908 -22.848 1.00 31.20 C ATOM 372 CG LYS A 27 -3.410 -0.887 -23.911 1.00 33.30 C ATOM 373 CD LYS A 27 -4.549 -1.381 -24.788 1.00 42.51 C ATOM 374 CE LYS A 27 -5.854 -1.466 -24.012 1.00 22.35 C ATOM 375 NZ LYS A 27 -6.667 -0.227 -24.155 1.00 1.13 N ATOM 0 H LYS A 27 -4.296 0.021 -21.320 1.00 22.22 H new ATOM 0 HA LYS A 27 -2.227 -2.049 -20.863 1.00 72.53 H new ATOM 0 HB2 LYS A 27 -2.209 -2.510 -23.207 1.00 31.20 H new ATOM 0 HB3 LYS A 27 -3.884 -2.585 -22.700 1.00 31.20 H new ATOM 0 HG2 LYS A 27 -3.697 0.050 -23.433 1.00 33.30 H new ATOM 0 HG3 LYS A 27 -2.538 -0.675 -24.530 1.00 33.30 H new ATOM 0 HD2 LYS A 27 -4.673 -0.709 -25.638 1.00 42.51 H new ATOM 0 HD3 LYS A 27 -4.300 -2.363 -25.191 1.00 42.51 H new ATOM 0 HE2 LYS A 27 -6.431 -2.321 -24.364 1.00 22.35 H new ATOM 0 HE3 LYS A 27 -5.639 -1.639 -22.958 1.00 22.35 H new ATOM 0 HZ1 LYS A 27 -7.548 -0.325 -23.611 1.00 1.13 H new ATOM 0 HZ2 LYS A 27 -6.127 0.586 -23.795 1.00 1.13 H new ATOM 0 HZ3 LYS A 27 -6.895 -0.075 -25.158 1.00 1.13 H new ATOM 389 N LYS A 28 -1.579 0.763 -20.783 1.00 63.35 N ATOM 390 CA LYS A 28 -0.633 1.869 -20.866 1.00 44.12 C ATOM 391 C LYS A 28 0.057 2.097 -19.525 1.00 14.03 C ATOM 392 O LYS A 28 0.598 3.173 -19.269 1.00 23.44 O ATOM 393 CB LYS A 28 -1.349 3.148 -21.307 1.00 63.44 C ATOM 394 CG LYS A 28 -1.675 3.181 -22.791 1.00 1.15 C ATOM 395 CD LYS A 28 -0.415 3.255 -23.637 1.00 12.40 C ATOM 396 CE LYS A 28 -0.721 3.722 -25.052 1.00 73.51 C ATOM 397 NZ LYS A 28 -0.976 5.188 -25.110 1.00 73.52 N ATOM 0 H LYS A 28 -2.182 0.785 -19.961 1.00 63.35 H new ATOM 0 HA LYS A 28 0.125 1.611 -21.605 1.00 44.12 H new ATOM 0 HB2 LYS A 28 -2.273 3.252 -20.738 1.00 63.44 H new ATOM 0 HB3 LYS A 28 -0.725 4.007 -21.061 1.00 63.44 H new ATOM 0 HG2 LYS A 28 -2.243 2.290 -23.060 1.00 1.15 H new ATOM 0 HG3 LYS A 28 -2.310 4.041 -23.006 1.00 1.15 H new ATOM 0 HD2 LYS A 28 0.297 3.938 -23.173 1.00 12.40 H new ATOM 0 HD3 LYS A 28 0.060 2.275 -23.671 1.00 12.40 H new ATOM 0 HE2 LYS A 28 0.115 3.473 -25.705 1.00 73.51 H new ATOM 0 HE3 LYS A 28 -1.592 3.187 -25.431 1.00 73.51 H new ATOM 0 HZ1 LYS A 28 -1.029 5.492 -26.103 1.00 73.52 H new ATOM 0 HZ2 LYS A 28 -1.875 5.403 -24.633 1.00 73.52 H new ATOM 0 HZ3 LYS A 28 -0.202 5.694 -24.634 1.00 73.52 H new ATOM 411 N PHE A 29 0.034 1.078 -18.672 1.00 73.11 N ATOM 412 CA PHE A 29 0.657 1.167 -17.357 1.00 1.31 C ATOM 413 C PHE A 29 1.778 0.141 -17.215 1.00 53.42 C ATOM 414 O PHE A 29 2.460 0.088 -16.192 1.00 31.24 O ATOM 415 CB PHE A 29 -0.387 0.954 -16.259 1.00 21.12 C ATOM 416 CG PHE A 29 -0.584 2.154 -15.378 1.00 12.32 C ATOM 417 CD1 PHE A 29 0.358 2.489 -14.419 1.00 23.11 C ATOM 418 CD2 PHE A 29 -1.713 2.948 -15.508 1.00 64.23 C ATOM 419 CE1 PHE A 29 0.180 3.593 -13.607 1.00 10.12 C ATOM 420 CE2 PHE A 29 -1.896 4.053 -14.699 1.00 51.45 C ATOM 421 CZ PHE A 29 -0.949 4.376 -13.747 1.00 33.32 C ATOM 0 H PHE A 29 -0.410 0.181 -18.868 1.00 73.11 H new ATOM 0 HA PHE A 29 1.086 2.164 -17.253 1.00 1.31 H new ATOM 0 HB2 PHE A 29 -1.339 0.692 -16.720 1.00 21.12 H new ATOM 0 HB3 PHE A 29 -0.087 0.106 -15.643 1.00 21.12 H new ATOM 0 HD1 PHE A 29 1.242 1.880 -14.305 1.00 23.11 H new ATOM 0 HD2 PHE A 29 -2.458 2.700 -16.250 1.00 64.23 H new ATOM 0 HE1 PHE A 29 0.923 3.843 -12.864 1.00 10.12 H new ATOM 0 HE2 PHE A 29 -2.779 4.664 -14.811 1.00 51.45 H new ATOM 0 HZ PHE A 29 -1.091 5.239 -13.113 1.00 33.32 H new ATOM 431 N PHE A 30 1.961 -0.672 -18.250 1.00 23.01 N ATOM 432 CA PHE A 30 2.998 -1.698 -18.241 1.00 54.13 C ATOM 433 C PHE A 30 4.272 -1.189 -18.908 1.00 4.12 C ATOM 434 O PHE A 30 5.340 -1.783 -18.762 1.00 4.43 O ATOM 435 CB PHE A 30 2.504 -2.958 -18.955 1.00 54.12 C ATOM 436 CG PHE A 30 2.511 -2.840 -20.453 1.00 31.34 C ATOM 437 CD1 PHE A 30 3.646 -3.159 -21.180 1.00 42.32 C ATOM 438 CD2 PHE A 30 1.383 -2.411 -21.132 1.00 55.14 C ATOM 439 CE1 PHE A 30 3.656 -3.052 -22.558 1.00 62.03 C ATOM 440 CE2 PHE A 30 1.386 -2.303 -22.510 1.00 45.32 C ATOM 441 CZ PHE A 30 2.525 -2.622 -23.224 1.00 30.41 C ATOM 0 H PHE A 30 1.406 -0.641 -19.105 1.00 23.01 H new ATOM 0 HA PHE A 30 3.224 -1.942 -17.203 1.00 54.13 H new ATOM 0 HB2 PHE A 30 3.130 -3.801 -18.662 1.00 54.12 H new ATOM 0 HB3 PHE A 30 1.491 -3.182 -18.621 1.00 54.12 H new ATOM 0 HD1 PHE A 30 4.533 -3.495 -20.664 1.00 42.32 H new ATOM 0 HD2 PHE A 30 0.491 -2.158 -20.579 1.00 55.14 H new ATOM 0 HE1 PHE A 30 4.547 -3.304 -23.113 1.00 62.03 H new ATOM 0 HE2 PHE A 30 0.499 -1.970 -23.028 1.00 45.32 H new ATOM 0 HZ PHE A 30 2.531 -2.535 -24.300 1.00 30.41 H new ATOM 451 N GLN A 31 4.150 -0.086 -19.640 1.00 25.30 N ATOM 452 CA GLN A 31 5.292 0.502 -20.330 1.00 63.11 C ATOM 453 C GLN A 31 6.080 1.416 -19.398 1.00 10.33 C ATOM 454 O GLN A 31 7.303 1.519 -19.501 1.00 33.14 O ATOM 455 CB GLN A 31 4.825 1.286 -21.557 1.00 54.04 C ATOM 456 CG GLN A 31 3.583 0.705 -22.214 1.00 33.22 C ATOM 457 CD GLN A 31 3.239 1.390 -23.522 1.00 30.13 C ATOM 458 OE1 GLN A 31 3.075 0.738 -24.553 1.00 61.32 O ATOM 459 NE2 GLN A 31 3.128 2.713 -23.486 1.00 74.31 N ATOM 0 H GLN A 31 3.273 0.418 -19.770 1.00 25.30 H new ATOM 0 HA GLN A 31 5.946 -0.308 -20.652 1.00 63.11 H new ATOM 0 HB2 GLN A 31 4.623 2.316 -21.264 1.00 54.04 H new ATOM 0 HB3 GLN A 31 5.633 1.315 -22.288 1.00 54.04 H new ATOM 0 HG2 GLN A 31 3.736 -0.359 -22.395 1.00 33.22 H new ATOM 0 HG3 GLN A 31 2.740 0.793 -21.529 1.00 33.22 H new ATOM 0 HE21 GLN A 31 3.272 3.213 -22.609 1.00 74.31 H new ATOM 0 HE22 GLN A 31 2.898 3.229 -24.335 1.00 74.31 H new ATOM 468 N ILE A 32 5.372 2.078 -18.489 1.00 53.41 N ATOM 469 CA ILE A 32 6.005 2.983 -17.538 1.00 44.54 C ATOM 470 C ILE A 32 6.355 2.262 -16.241 1.00 60.45 C ATOM 471 O ILE A 32 7.332 2.601 -15.574 1.00 13.53 O ATOM 472 CB ILE A 32 5.098 4.186 -17.215 1.00 65.42 C ATOM 473 CG1 ILE A 32 4.661 4.883 -18.505 1.00 14.23 C ATOM 474 CG2 ILE A 32 5.819 5.161 -16.297 1.00 45.32 C ATOM 475 CD1 ILE A 32 3.246 4.547 -18.923 1.00 44.22 C ATOM 0 H ILE A 32 4.359 2.004 -18.391 1.00 53.41 H new ATOM 0 HA ILE A 32 6.920 3.344 -18.008 1.00 44.54 H new ATOM 0 HB ILE A 32 4.208 3.824 -16.700 1.00 65.42 H new ATOM 0 HG12 ILE A 32 4.746 5.962 -18.373 1.00 14.23 H new ATOM 0 HG13 ILE A 32 5.344 4.606 -19.308 1.00 14.23 H new ATOM 0 HG21 ILE A 32 5.166 6.005 -16.078 1.00 45.32 H new ATOM 0 HG22 ILE A 32 6.085 4.657 -15.368 1.00 45.32 H new ATOM 0 HG23 ILE A 32 6.724 5.520 -16.787 1.00 45.32 H new ATOM 0 HD11 ILE A 32 3.004 5.076 -19.845 1.00 44.22 H new ATOM 0 HD12 ILE A 32 3.161 3.473 -19.088 1.00 44.22 H new ATOM 0 HD13 ILE A 32 2.553 4.850 -18.138 1.00 44.22 H new ATOM 487 N SER A 33 5.551 1.262 -15.892 1.00 5.33 N ATOM 488 CA SER A 33 5.775 0.493 -14.673 1.00 75.33 C ATOM 489 C SER A 33 6.676 -0.708 -14.946 1.00 51.43 C ATOM 490 O SER A 33 7.828 -0.744 -14.515 1.00 74.04 O ATOM 491 CB SER A 33 4.441 0.021 -14.091 1.00 55.13 C ATOM 492 OG SER A 33 4.613 -0.516 -12.791 1.00 53.03 O ATOM 0 H SER A 33 4.740 0.966 -16.435 1.00 5.33 H new ATOM 0 HA SER A 33 6.271 1.141 -13.950 1.00 75.33 H new ATOM 0 HB2 SER A 33 3.741 0.856 -14.053 1.00 55.13 H new ATOM 0 HB3 SER A 33 4.002 -0.733 -14.744 1.00 55.13 H new ATOM 0 HG SER A 33 3.746 -0.556 -12.336 1.00 53.03 H new ATOM 498 N GLY A 34 6.142 -1.690 -15.666 1.00 54.43 N ATOM 499 CA GLY A 34 6.910 -2.879 -15.985 1.00 2.40 C ATOM 500 C GLY A 34 6.196 -4.155 -15.585 1.00 45.34 C ATOM 501 O GLY A 34 6.834 -5.145 -15.230 1.00 24.14 O ATOM 0 H GLY A 34 5.191 -1.683 -16.034 1.00 54.43 H new ATOM 0 HA2 GLY A 34 7.113 -2.900 -17.056 1.00 2.40 H new ATOM 0 HA3 GLY A 34 7.874 -2.832 -15.479 1.00 2.40 H new ATOM 505 N MET A 35 4.869 -4.131 -15.642 1.00 71.03 N ATOM 506 CA MET A 35 4.068 -5.296 -15.283 1.00 1.53 C ATOM 507 C MET A 35 4.319 -6.448 -16.250 1.00 53.45 C ATOM 508 O MET A 35 4.569 -7.578 -15.833 1.00 34.32 O ATOM 509 CB MET A 35 2.581 -4.936 -15.274 1.00 41.41 C ATOM 510 CG MET A 35 2.266 -3.674 -14.487 1.00 33.35 C ATOM 511 SD MET A 35 0.538 -3.180 -14.630 1.00 34.03 S ATOM 512 CE MET A 35 -0.289 -4.686 -14.123 1.00 25.15 C ATOM 0 H MET A 35 4.325 -3.318 -15.933 1.00 71.03 H new ATOM 0 HA MET A 35 4.363 -5.614 -14.283 1.00 1.53 H new ATOM 0 HB2 MET A 35 2.240 -4.808 -16.301 1.00 41.41 H new ATOM 0 HB3 MET A 35 2.017 -5.768 -14.852 1.00 41.41 H new ATOM 0 HG2 MET A 35 2.508 -3.836 -13.437 1.00 33.35 H new ATOM 0 HG3 MET A 35 2.902 -2.862 -14.839 1.00 33.35 H new ATOM 0 HE1 MET A 35 -1.315 -4.458 -13.834 1.00 25.15 H new ATOM 0 HE2 MET A 35 -0.294 -5.395 -14.951 1.00 25.15 H new ATOM 0 HE3 MET A 35 0.238 -5.123 -13.275 1.00 25.15 H new ATOM 522 N SER A 36 4.250 -6.153 -17.545 1.00 31.12 N ATOM 523 CA SER A 36 4.465 -7.166 -18.572 1.00 3.33 C ATOM 524 C SER A 36 5.789 -7.892 -18.350 1.00 13.34 C ATOM 525 O SER A 36 5.905 -9.090 -18.608 1.00 55.22 O ATOM 526 CB SER A 36 4.449 -6.525 -19.961 1.00 31.10 C ATOM 527 OG SER A 36 5.619 -5.758 -20.182 1.00 44.54 O ATOM 0 H SER A 36 4.047 -5.221 -17.907 1.00 31.12 H new ATOM 0 HA SER A 36 3.656 -7.893 -18.506 1.00 3.33 H new ATOM 0 HB2 SER A 36 4.370 -7.301 -20.722 1.00 31.10 H new ATOM 0 HB3 SER A 36 3.569 -5.889 -20.061 1.00 31.10 H new ATOM 0 HG SER A 36 5.585 -5.360 -21.077 1.00 44.54 H new ATOM 533 N LYS A 37 6.786 -7.157 -17.868 1.00 53.13 N ATOM 534 CA LYS A 37 8.102 -7.728 -17.609 1.00 71.21 C ATOM 535 C LYS A 37 8.026 -8.799 -16.525 1.00 45.22 C ATOM 536 O LYS A 37 8.916 -9.642 -16.408 1.00 0.15 O ATOM 537 CB LYS A 37 9.083 -6.631 -17.190 1.00 22.22 C ATOM 538 CG LYS A 37 8.998 -5.379 -18.046 1.00 32.33 C ATOM 539 CD LYS A 37 9.105 -5.707 -19.526 1.00 30.15 C ATOM 540 CE LYS A 37 10.421 -6.398 -19.850 1.00 11.44 C ATOM 541 NZ LYS A 37 10.611 -6.568 -21.317 1.00 3.03 N ATOM 0 H LYS A 37 6.707 -6.164 -17.649 1.00 53.13 H new ATOM 0 HA LYS A 37 8.457 -8.192 -18.529 1.00 71.21 H new ATOM 0 HB2 LYS A 37 8.894 -6.364 -16.150 1.00 22.22 H new ATOM 0 HB3 LYS A 37 10.098 -7.025 -17.238 1.00 22.22 H new ATOM 0 HG2 LYS A 37 8.055 -4.868 -17.853 1.00 32.33 H new ATOM 0 HG3 LYS A 37 9.796 -4.691 -17.766 1.00 32.33 H new ATOM 0 HD2 LYS A 37 8.274 -6.349 -19.818 1.00 30.15 H new ATOM 0 HD3 LYS A 37 9.021 -4.790 -20.110 1.00 30.15 H new ATOM 0 HE2 LYS A 37 11.247 -5.816 -19.442 1.00 11.44 H new ATOM 0 HE3 LYS A 37 10.448 -7.374 -19.365 1.00 11.44 H new ATOM 0 HZ1 LYS A 37 11.519 -7.043 -21.497 1.00 3.03 H new ATOM 0 HZ2 LYS A 37 9.836 -7.145 -21.703 1.00 3.03 H new ATOM 0 HZ3 LYS A 37 10.611 -5.635 -21.777 1.00 3.03 H new ATOM 555 N LYS A 38 6.958 -8.761 -15.736 1.00 5.33 N ATOM 556 CA LYS A 38 6.765 -9.729 -14.663 1.00 14.12 C ATOM 557 C LYS A 38 6.005 -10.953 -15.165 1.00 11.41 C ATOM 558 O LYS A 38 5.225 -10.865 -16.113 1.00 43.15 O ATOM 559 CB LYS A 38 6.006 -9.087 -13.499 1.00 51.53 C ATOM 560 CG LYS A 38 6.541 -7.721 -13.105 1.00 12.25 C ATOM 561 CD LYS A 38 7.924 -7.822 -12.483 1.00 15.13 C ATOM 562 CE LYS A 38 8.970 -7.119 -13.334 1.00 21.31 C ATOM 563 NZ LYS A 38 10.314 -7.743 -13.187 1.00 4.22 N ATOM 0 H LYS A 38 6.212 -8.070 -15.819 1.00 5.33 H new ATOM 0 HA LYS A 38 7.747 -10.049 -14.316 1.00 14.12 H new ATOM 0 HB2 LYS A 38 4.955 -8.992 -13.770 1.00 51.53 H new ATOM 0 HB3 LYS A 38 6.054 -9.750 -12.635 1.00 51.53 H new ATOM 0 HG2 LYS A 38 6.583 -7.078 -13.984 1.00 12.25 H new ATOM 0 HG3 LYS A 38 5.857 -7.251 -12.399 1.00 12.25 H new ATOM 0 HD2 LYS A 38 7.909 -7.382 -11.486 1.00 15.13 H new ATOM 0 HD3 LYS A 38 8.195 -8.871 -12.364 1.00 15.13 H new ATOM 0 HE2 LYS A 38 8.668 -7.150 -14.381 1.00 21.31 H new ATOM 0 HE3 LYS A 38 9.024 -6.068 -13.049 1.00 21.31 H new ATOM 0 HZ1 LYS A 38 10.999 -7.236 -13.782 1.00 4.22 H new ATOM 0 HZ2 LYS A 38 10.614 -7.691 -12.193 1.00 4.22 H new ATOM 0 HZ3 LYS A 38 10.269 -8.739 -13.483 1.00 4.22 H new ATOM 577 N SER A 39 6.237 -12.092 -14.522 1.00 34.53 N ATOM 578 CA SER A 39 5.576 -13.334 -14.905 1.00 34.51 C ATOM 579 C SER A 39 4.116 -13.332 -14.461 1.00 71.32 C ATOM 580 O SER A 39 3.714 -12.533 -13.616 1.00 53.20 O ATOM 581 CB SER A 39 6.304 -14.534 -14.295 1.00 40.23 C ATOM 582 OG SER A 39 7.666 -14.557 -14.687 1.00 54.42 O ATOM 0 H SER A 39 6.878 -12.181 -13.733 1.00 34.53 H new ATOM 0 HA SER A 39 5.608 -13.413 -15.992 1.00 34.51 H new ATOM 0 HB2 SER A 39 6.236 -14.491 -13.208 1.00 40.23 H new ATOM 0 HB3 SER A 39 5.816 -15.457 -14.608 1.00 40.23 H new ATOM 0 HG SER A 39 8.110 -15.332 -14.283 1.00 54.42 H new ATOM 588 N SER A 40 3.327 -14.233 -15.038 1.00 63.50 N ATOM 589 CA SER A 40 1.911 -14.334 -14.706 1.00 30.11 C ATOM 590 C SER A 40 1.722 -14.690 -13.234 1.00 60.55 C ATOM 591 O SER A 40 0.648 -14.486 -12.668 1.00 25.41 O ATOM 592 CB SER A 40 1.232 -15.384 -15.588 1.00 10.22 C ATOM 593 OG SER A 40 2.110 -15.846 -16.599 1.00 45.43 O ATOM 0 H SER A 40 3.645 -14.904 -15.738 1.00 63.50 H new ATOM 0 HA SER A 40 1.450 -13.363 -14.889 1.00 30.11 H new ATOM 0 HB2 SER A 40 0.906 -16.223 -14.974 1.00 10.22 H new ATOM 0 HB3 SER A 40 0.339 -14.957 -16.045 1.00 10.22 H new ATOM 0 HG SER A 40 1.653 -16.517 -17.148 1.00 45.43 H new ATOM 599 N SER A 41 2.774 -15.224 -12.622 1.00 32.43 N ATOM 600 CA SER A 41 2.724 -15.613 -11.217 1.00 70.42 C ATOM 601 C SER A 41 2.976 -14.412 -10.311 1.00 55.35 C ATOM 602 O SER A 41 2.591 -14.412 -9.143 1.00 14.54 O ATOM 603 CB SER A 41 3.756 -16.706 -10.932 1.00 31.31 C ATOM 604 OG SER A 41 5.069 -16.174 -10.907 1.00 50.15 O ATOM 0 H SER A 41 3.671 -15.397 -13.076 1.00 32.43 H new ATOM 0 HA SER A 41 1.727 -16.001 -11.008 1.00 70.42 H new ATOM 0 HB2 SER A 41 3.534 -17.180 -9.976 1.00 31.31 H new ATOM 0 HB3 SER A 41 3.689 -17.482 -11.695 1.00 31.31 H new ATOM 0 HG SER A 41 5.709 -16.892 -10.721 1.00 50.15 H new ATOM 610 N GLN A 42 3.624 -13.390 -10.861 1.00 21.00 N ATOM 611 CA GLN A 42 3.928 -12.182 -10.103 1.00 21.11 C ATOM 612 C GLN A 42 2.823 -11.144 -10.268 1.00 3.34 C ATOM 613 O GLN A 42 2.597 -10.317 -9.383 1.00 41.21 O ATOM 614 CB GLN A 42 5.267 -11.595 -10.553 1.00 60.42 C ATOM 615 CG GLN A 42 6.466 -12.200 -9.841 1.00 4.52 C ATOM 616 CD GLN A 42 7.740 -11.409 -10.069 1.00 72.43 C ATOM 617 OE1 GLN A 42 8.609 -11.820 -10.838 1.00 63.15 O ATOM 618 NE2 GLN A 42 7.857 -10.268 -9.401 1.00 33.13 N ATOM 0 H GLN A 42 3.948 -13.374 -11.828 1.00 21.00 H new ATOM 0 HA GLN A 42 3.994 -12.452 -9.049 1.00 21.11 H new ATOM 0 HB2 GLN A 42 5.378 -11.746 -11.627 1.00 60.42 H new ATOM 0 HB3 GLN A 42 5.258 -10.519 -10.382 1.00 60.42 H new ATOM 0 HG2 GLN A 42 6.261 -12.251 -8.772 1.00 4.52 H new ATOM 0 HG3 GLN A 42 6.611 -13.223 -10.187 1.00 4.52 H new ATOM 0 HE21 GLN A 42 7.112 -9.966 -8.774 1.00 33.13 H new ATOM 0 HE22 GLN A 42 8.692 -9.694 -9.515 1.00 33.13 H new ATOM 627 N LEU A 43 2.138 -11.191 -11.405 1.00 22.43 N ATOM 628 CA LEU A 43 1.056 -10.254 -11.686 1.00 63.10 C ATOM 629 C LEU A 43 -0.211 -10.643 -10.932 1.00 31.15 C ATOM 630 O LEU A 43 -1.100 -9.817 -10.721 1.00 63.40 O ATOM 631 CB LEU A 43 0.774 -10.206 -13.189 1.00 24.23 C ATOM 632 CG LEU A 43 1.981 -9.940 -14.090 1.00 31.33 C ATOM 633 CD1 LEU A 43 1.843 -10.695 -15.403 1.00 24.44 C ATOM 634 CD2 LEU A 43 2.138 -8.448 -14.344 1.00 73.25 C ATOM 0 H LEU A 43 2.313 -11.868 -12.148 1.00 22.43 H new ATOM 0 HA LEU A 43 1.368 -9.265 -11.349 1.00 63.10 H new ATOM 0 HB2 LEU A 43 0.327 -11.155 -13.485 1.00 24.23 H new ATOM 0 HB3 LEU A 43 0.030 -9.431 -13.374 1.00 24.23 H new ATOM 0 HG LEU A 43 2.876 -10.298 -13.581 1.00 31.33 H new ATOM 0 HD11 LEU A 43 2.711 -10.494 -16.031 1.00 24.44 H new ATOM 0 HD12 LEU A 43 1.780 -11.765 -15.203 1.00 24.44 H new ATOM 0 HD13 LEU A 43 0.939 -10.368 -15.917 1.00 24.44 H new ATOM 0 HD21 LEU A 43 3.002 -8.277 -14.987 1.00 73.25 H new ATOM 0 HD22 LEU A 43 1.241 -8.066 -14.832 1.00 73.25 H new ATOM 0 HD23 LEU A 43 2.284 -7.931 -13.396 1.00 73.25 H new ATOM 646 N LYS A 44 -0.287 -11.906 -10.525 1.00 11.35 N ATOM 647 CA LYS A 44 -1.443 -12.405 -9.790 1.00 14.11 C ATOM 648 C LYS A 44 -1.437 -11.894 -8.353 1.00 21.04 C ATOM 649 O LYS A 44 -2.481 -11.823 -7.705 1.00 60.24 O ATOM 650 CB LYS A 44 -1.457 -13.935 -9.798 1.00 60.23 C ATOM 651 CG LYS A 44 -0.527 -14.557 -8.771 1.00 33.40 C ATOM 652 CD LYS A 44 -0.164 -15.986 -9.141 1.00 2.35 C ATOM 653 CE LYS A 44 -1.218 -16.971 -8.660 1.00 73.24 C ATOM 654 NZ LYS A 44 -0.732 -18.377 -8.721 1.00 23.30 N ATOM 0 H LYS A 44 0.439 -12.603 -10.692 1.00 11.35 H new ATOM 0 HA LYS A 44 -2.342 -12.037 -10.284 1.00 14.11 H new ATOM 0 HB2 LYS A 44 -2.474 -14.282 -9.612 1.00 60.23 H new ATOM 0 HB3 LYS A 44 -1.176 -14.287 -10.791 1.00 60.23 H new ATOM 0 HG2 LYS A 44 0.381 -13.959 -8.691 1.00 33.40 H new ATOM 0 HG3 LYS A 44 -1.004 -14.544 -7.791 1.00 33.40 H new ATOM 0 HD2 LYS A 44 -0.056 -16.067 -10.223 1.00 2.35 H new ATOM 0 HD3 LYS A 44 0.801 -16.242 -8.704 1.00 2.35 H new ATOM 0 HE2 LYS A 44 -1.501 -16.729 -7.636 1.00 73.24 H new ATOM 0 HE3 LYS A 44 -2.115 -16.870 -9.271 1.00 73.24 H new ATOM 0 HZ1 LYS A 44 -1.479 -19.018 -8.385 1.00 23.30 H new ATOM 0 HZ2 LYS A 44 -0.486 -18.617 -9.703 1.00 23.30 H new ATOM 0 HZ3 LYS A 44 0.109 -18.480 -8.118 1.00 23.30 H new ATOM 668 N GLU A 45 -0.254 -11.538 -7.861 1.00 71.21 N ATOM 669 CA GLU A 45 -0.114 -11.033 -6.500 1.00 63.23 C ATOM 670 C GLU A 45 -0.919 -9.751 -6.310 1.00 44.33 C ATOM 671 O GLU A 45 -1.640 -9.599 -5.324 1.00 3.33 O ATOM 672 CB GLU A 45 1.360 -10.776 -6.177 1.00 73.24 C ATOM 673 CG GLU A 45 2.164 -12.046 -5.953 1.00 11.43 C ATOM 674 CD GLU A 45 2.007 -12.595 -4.548 1.00 51.30 C ATOM 675 OE1 GLU A 45 1.654 -11.813 -3.641 1.00 11.13 O ATOM 676 OE2 GLU A 45 2.237 -13.807 -4.357 1.00 30.34 O ATOM 0 H GLU A 45 0.620 -11.590 -8.384 1.00 71.21 H new ATOM 0 HA GLU A 45 -0.502 -11.789 -5.817 1.00 63.23 H new ATOM 0 HB2 GLU A 45 1.809 -10.211 -6.994 1.00 73.24 H new ATOM 0 HB3 GLU A 45 1.425 -10.153 -5.285 1.00 73.24 H new ATOM 0 HG2 GLU A 45 1.849 -12.802 -6.672 1.00 11.43 H new ATOM 0 HG3 GLU A 45 3.218 -11.843 -6.144 1.00 11.43 H new ATOM 683 N ILE A 46 -0.789 -8.832 -7.261 1.00 51.40 N ATOM 684 CA ILE A 46 -1.504 -7.563 -7.199 1.00 11.01 C ATOM 685 C ILE A 46 -3.007 -7.785 -7.062 1.00 5.14 C ATOM 686 O ILE A 46 -3.690 -7.053 -6.346 1.00 53.41 O ATOM 687 CB ILE A 46 -1.236 -6.704 -8.448 1.00 45.44 C ATOM 688 CG1 ILE A 46 0.264 -6.439 -8.599 1.00 52.42 C ATOM 689 CG2 ILE A 46 -2.005 -5.394 -8.366 1.00 2.44 C ATOM 690 CD1 ILE A 46 0.912 -7.245 -9.702 1.00 60.35 C ATOM 0 H ILE A 46 -0.196 -8.942 -8.083 1.00 51.40 H new ATOM 0 HA ILE A 46 -1.135 -7.036 -6.319 1.00 11.01 H new ATOM 0 HB ILE A 46 -1.580 -7.250 -9.327 1.00 45.44 H new ATOM 0 HG12 ILE A 46 0.419 -5.378 -8.796 1.00 52.42 H new ATOM 0 HG13 ILE A 46 0.761 -6.664 -7.655 1.00 52.42 H new ATOM 0 HG21 ILE A 46 -1.805 -4.798 -9.257 1.00 2.44 H new ATOM 0 HG22 ILE A 46 -3.073 -5.602 -8.301 1.00 2.44 H new ATOM 0 HG23 ILE A 46 -1.689 -4.841 -7.481 1.00 2.44 H new ATOM 0 HD11 ILE A 46 1.974 -7.006 -9.751 1.00 60.35 H new ATOM 0 HD12 ILE A 46 0.788 -8.308 -9.496 1.00 60.35 H new ATOM 0 HD13 ILE A 46 0.441 -7.002 -10.655 1.00 60.35 H new ATOM 702 N PHE A 47 -3.514 -8.801 -7.751 1.00 34.31 N ATOM 703 CA PHE A 47 -4.936 -9.121 -7.706 1.00 34.15 C ATOM 704 C PHE A 47 -5.400 -9.334 -6.268 1.00 34.14 C ATOM 705 O PHE A 47 -6.507 -8.942 -5.897 1.00 30.43 O ATOM 706 CB PHE A 47 -5.226 -10.372 -8.538 1.00 32.15 C ATOM 707 CG PHE A 47 -6.251 -11.279 -7.919 1.00 30.32 C ATOM 708 CD1 PHE A 47 -5.882 -12.216 -6.967 1.00 61.11 C ATOM 709 CD2 PHE A 47 -7.584 -11.196 -8.290 1.00 5.45 C ATOM 710 CE1 PHE A 47 -6.822 -13.052 -6.396 1.00 35.35 C ATOM 711 CE2 PHE A 47 -8.528 -12.029 -7.721 1.00 55.31 C ATOM 712 CZ PHE A 47 -8.147 -12.959 -6.774 1.00 14.01 C ATOM 0 H PHE A 47 -2.962 -9.417 -8.347 1.00 34.31 H new ATOM 0 HA PHE A 47 -5.486 -8.279 -8.126 1.00 34.15 H new ATOM 0 HB2 PHE A 47 -5.570 -10.069 -9.527 1.00 32.15 H new ATOM 0 HB3 PHE A 47 -4.299 -10.928 -8.679 1.00 32.15 H new ATOM 0 HD1 PHE A 47 -4.847 -12.294 -6.668 1.00 61.11 H new ATOM 0 HD2 PHE A 47 -7.888 -10.472 -9.032 1.00 5.45 H new ATOM 0 HE1 PHE A 47 -6.521 -13.778 -5.655 1.00 35.35 H new ATOM 0 HE2 PHE A 47 -9.564 -11.953 -8.017 1.00 55.31 H new ATOM 0 HZ PHE A 47 -8.884 -13.612 -6.330 1.00 14.01 H new ATOM 722 N ARG A 48 -4.546 -9.958 -5.463 1.00 33.01 N ATOM 723 CA ARG A 48 -4.869 -10.225 -4.066 1.00 65.34 C ATOM 724 C ARG A 48 -4.983 -8.925 -3.276 1.00 42.23 C ATOM 725 O ARG A 48 -5.469 -8.915 -2.145 1.00 73.22 O ATOM 726 CB ARG A 48 -3.802 -11.124 -3.438 1.00 32.22 C ATOM 727 CG ARG A 48 -4.349 -12.441 -2.911 1.00 60.13 C ATOM 728 CD ARG A 48 -5.456 -12.217 -1.893 1.00 72.32 C ATOM 729 NE ARG A 48 -5.246 -12.996 -0.676 1.00 30.31 N ATOM 730 CZ ARG A 48 -5.544 -14.286 -0.568 1.00 72.22 C ATOM 731 NH1 ARG A 48 -6.062 -14.939 -1.600 1.00 13.43 N ATOM 732 NH2 ARG A 48 -5.324 -14.926 0.573 1.00 62.40 N ATOM 0 H ARG A 48 -3.626 -10.288 -5.754 1.00 33.01 H new ATOM 0 HA ARG A 48 -5.831 -10.735 -4.032 1.00 65.34 H new ATOM 0 HB2 ARG A 48 -3.031 -11.331 -4.180 1.00 32.22 H new ATOM 0 HB3 ARG A 48 -3.321 -10.587 -2.620 1.00 32.22 H new ATOM 0 HG2 ARG A 48 -4.731 -13.036 -3.741 1.00 60.13 H new ATOM 0 HG3 ARG A 48 -3.543 -13.014 -2.453 1.00 60.13 H new ATOM 0 HD2 ARG A 48 -5.508 -11.158 -1.641 1.00 72.32 H new ATOM 0 HD3 ARG A 48 -6.415 -12.487 -2.335 1.00 72.32 H new ATOM 0 HE ARG A 48 -4.849 -12.524 0.136 1.00 30.31 H new ATOM 0 HH11 ARG A 48 -6.232 -14.451 -2.479 1.00 13.43 H new ATOM 0 HH12 ARG A 48 -6.290 -15.930 -1.514 1.00 13.43 H new ATOM 0 HH21 ARG A 48 -4.926 -14.428 1.369 1.00 62.40 H new ATOM 0 HH22 ARG A 48 -5.553 -15.917 0.655 1.00 62.40 H new ATOM 746 N ILE A 49 -4.531 -7.830 -3.880 1.00 32.54 N ATOM 747 CA ILE A 49 -4.584 -6.525 -3.233 1.00 25.43 C ATOM 748 C ILE A 49 -5.787 -5.721 -3.713 1.00 61.43 C ATOM 749 O ILE A 49 -6.143 -4.701 -3.121 1.00 63.53 O ATOM 750 CB ILE A 49 -3.301 -5.715 -3.496 1.00 3.22 C ATOM 751 CG1 ILE A 49 -2.066 -6.603 -3.326 1.00 14.10 C ATOM 752 CG2 ILE A 49 -3.230 -4.516 -2.561 1.00 73.42 C ATOM 753 CD1 ILE A 49 -1.938 -7.201 -1.942 1.00 43.53 C ATOM 0 H ILE A 49 -4.125 -7.821 -4.815 1.00 32.54 H new ATOM 0 HA ILE A 49 -4.677 -6.707 -2.162 1.00 25.43 H new ATOM 0 HB ILE A 49 -3.324 -5.350 -4.523 1.00 3.22 H new ATOM 0 HG12 ILE A 49 -2.104 -7.409 -4.059 1.00 14.10 H new ATOM 0 HG13 ILE A 49 -1.174 -6.016 -3.543 1.00 14.10 H new ATOM 0 HG21 ILE A 49 -2.318 -3.954 -2.759 1.00 73.42 H new ATOM 0 HG22 ILE A 49 -4.095 -3.874 -2.726 1.00 73.42 H new ATOM 0 HG23 ILE A 49 -3.226 -4.861 -1.527 1.00 73.42 H new ATOM 0 HD11 ILE A 49 -1.041 -7.818 -1.894 1.00 43.53 H new ATOM 0 HD12 ILE A 49 -1.868 -6.401 -1.205 1.00 43.53 H new ATOM 0 HD13 ILE A 49 -2.813 -7.815 -1.729 1.00 43.53 H new ATOM 765 N LEU A 50 -6.412 -6.188 -4.789 1.00 5.11 N ATOM 766 CA LEU A 50 -7.578 -5.514 -5.349 1.00 44.41 C ATOM 767 C LEU A 50 -8.868 -6.103 -4.790 1.00 34.31 C ATOM 768 O LEU A 50 -9.898 -5.432 -4.740 1.00 72.30 O ATOM 769 CB LEU A 50 -7.572 -5.625 -6.875 1.00 4.13 C ATOM 770 CG LEU A 50 -6.888 -4.483 -7.628 1.00 60.42 C ATOM 771 CD1 LEU A 50 -5.471 -4.874 -8.017 1.00 63.13 C ATOM 772 CD2 LEU A 50 -7.694 -4.099 -8.860 1.00 75.22 C ATOM 0 H LEU A 50 -6.131 -7.030 -5.291 1.00 5.11 H new ATOM 0 HA LEU A 50 -7.529 -4.462 -5.067 1.00 44.41 H new ATOM 0 HB2 LEU A 50 -7.082 -6.559 -7.149 1.00 4.13 H new ATOM 0 HB3 LEU A 50 -8.604 -5.693 -7.218 1.00 4.13 H new ATOM 0 HG LEU A 50 -6.836 -3.617 -6.968 1.00 60.42 H new ATOM 0 HD11 LEU A 50 -5.000 -4.049 -8.552 1.00 63.13 H new ATOM 0 HD12 LEU A 50 -4.896 -5.099 -7.119 1.00 63.13 H new ATOM 0 HD13 LEU A 50 -5.500 -5.754 -8.660 1.00 63.13 H new ATOM 0 HD21 LEU A 50 -7.193 -3.285 -9.384 1.00 75.22 H new ATOM 0 HD22 LEU A 50 -7.777 -4.960 -9.523 1.00 75.22 H new ATOM 0 HD23 LEU A 50 -8.690 -3.776 -8.557 1.00 75.22 H new ATOM 784 N ASP A 51 -8.804 -7.362 -4.368 1.00 61.13 N ATOM 785 CA ASP A 51 -9.967 -8.042 -3.811 1.00 15.14 C ATOM 786 C ASP A 51 -10.340 -7.457 -2.452 1.00 10.42 C ATOM 787 O ASP A 51 -9.551 -7.498 -1.509 1.00 65.23 O ATOM 788 CB ASP A 51 -9.692 -9.541 -3.675 1.00 2.35 C ATOM 789 CG ASP A 51 -10.966 -10.359 -3.616 1.00 1.54 C ATOM 790 OD1 ASP A 51 -12.107 -9.689 -3.733 1.00 4.12 O ATOM 791 OD2 ASP A 51 -10.926 -11.580 -3.467 1.00 25.11 O ATOM 0 H ASP A 51 -7.959 -7.932 -4.401 1.00 61.13 H new ATOM 0 HA ASP A 51 -10.804 -7.894 -4.493 1.00 15.14 H new ATOM 0 HB2 ASP A 51 -9.088 -9.875 -4.519 1.00 2.35 H new ATOM 0 HB3 ASP A 51 -9.107 -9.720 -2.773 1.00 2.35 H new ATOM 796 N ASN A 52 -11.549 -6.912 -2.360 1.00 1.04 N ATOM 797 CA ASN A 52 -12.027 -6.318 -1.116 1.00 62.12 C ATOM 798 C ASN A 52 -13.127 -7.172 -0.493 1.00 24.11 C ATOM 799 O ASN A 52 -13.821 -6.735 0.425 1.00 54.14 O ATOM 800 CB ASN A 52 -12.547 -4.902 -1.370 1.00 54.02 C ATOM 801 CG ASN A 52 -11.615 -3.837 -0.826 1.00 51.11 C ATOM 802 OD1 ASN A 52 -11.956 -3.120 0.115 1.00 43.11 O ATOM 803 ND2 ASN A 52 -10.431 -3.729 -1.418 1.00 12.31 N ATOM 0 H ASN A 52 -12.215 -6.869 -3.131 1.00 1.04 H new ATOM 0 HA ASN A 52 -11.190 -6.271 -0.419 1.00 62.12 H new ATOM 0 HB2 ASN A 52 -12.678 -4.753 -2.442 1.00 54.02 H new ATOM 0 HB3 ASN A 52 -13.529 -4.791 -0.910 1.00 54.02 H new ATOM 0 HD21 ASN A 52 -9.762 -3.030 -1.096 1.00 12.31 H new ATOM 0 HD22 ASN A 52 -10.191 -4.345 -2.195 1.00 12.31 H new ATOM 810 N ASP A 53 -13.278 -8.392 -0.997 1.00 51.21 N ATOM 811 CA ASP A 53 -14.292 -9.309 -0.489 1.00 51.41 C ATOM 812 C ASP A 53 -13.747 -10.731 -0.408 1.00 3.13 C ATOM 813 O ASP A 53 -14.453 -11.654 -0.002 1.00 2.41 O ATOM 814 CB ASP A 53 -15.533 -9.275 -1.382 1.00 34.40 C ATOM 815 CG ASP A 53 -15.701 -7.946 -2.091 1.00 71.13 C ATOM 816 OD1 ASP A 53 -14.907 -7.661 -3.013 1.00 15.44 O ATOM 817 OD2 ASP A 53 -16.626 -7.192 -1.726 1.00 13.42 O ATOM 0 H ASP A 53 -12.711 -8.769 -1.757 1.00 51.21 H new ATOM 0 HA ASP A 53 -14.567 -8.987 0.515 1.00 51.41 H new ATOM 0 HB2 ASP A 53 -15.466 -10.072 -2.122 1.00 34.40 H new ATOM 0 HB3 ASP A 53 -16.418 -9.475 -0.777 1.00 34.40 H new ATOM 822 N GLN A 54 -12.487 -10.900 -0.797 1.00 52.41 N ATOM 823 CA GLN A 54 -11.849 -12.210 -0.770 1.00 25.14 C ATOM 824 C GLN A 54 -12.702 -13.247 -1.493 1.00 1.24 C ATOM 825 O GLN A 54 -12.558 -14.449 -1.269 1.00 12.31 O ATOM 826 CB GLN A 54 -11.604 -12.651 0.674 1.00 24.25 C ATOM 827 CG GLN A 54 -11.139 -11.525 1.584 1.00 24.40 C ATOM 828 CD GLN A 54 -9.719 -11.083 1.287 1.00 74.34 C ATOM 829 OE1 GLN A 54 -8.760 -11.800 1.574 1.00 74.31 O ATOM 830 NE2 GLN A 54 -9.578 -9.897 0.708 1.00 43.34 N ATOM 0 H GLN A 54 -11.889 -10.146 -1.134 1.00 52.41 H new ATOM 0 HA GLN A 54 -10.892 -12.131 -1.286 1.00 25.14 H new ATOM 0 HB2 GLN A 54 -12.524 -13.076 1.076 1.00 24.25 H new ATOM 0 HB3 GLN A 54 -10.857 -13.445 0.681 1.00 24.25 H new ATOM 0 HG2 GLN A 54 -11.811 -10.674 1.475 1.00 24.40 H new ATOM 0 HG3 GLN A 54 -11.204 -11.851 2.622 1.00 24.40 H new ATOM 0 HE21 GLN A 54 -10.401 -9.336 0.488 1.00 43.34 H new ATOM 0 HE22 GLN A 54 -8.647 -9.547 0.483 1.00 43.34 H new ATOM 839 N SER A 55 -13.591 -12.773 -2.360 1.00 63.53 N ATOM 840 CA SER A 55 -14.471 -13.659 -3.113 1.00 65.54 C ATOM 841 C SER A 55 -13.689 -14.428 -4.175 1.00 2.42 C ATOM 842 O SER A 55 -14.095 -15.508 -4.601 1.00 11.13 O ATOM 843 CB SER A 55 -15.594 -12.857 -3.772 1.00 74.33 C ATOM 844 OG SER A 55 -15.151 -11.561 -4.134 1.00 72.04 O ATOM 0 H SER A 55 -13.721 -11.781 -2.558 1.00 63.53 H new ATOM 0 HA SER A 55 -14.906 -14.376 -2.417 1.00 65.54 H new ATOM 0 HB2 SER A 55 -15.950 -13.384 -4.658 1.00 74.33 H new ATOM 0 HB3 SER A 55 -16.439 -12.778 -3.087 1.00 74.33 H new ATOM 0 HG SER A 55 -15.887 -11.069 -4.555 1.00 72.04 H new ATOM 850 N GLY A 56 -12.563 -13.860 -4.598 1.00 71.41 N ATOM 851 CA GLY A 56 -11.741 -14.504 -5.606 1.00 74.41 C ATOM 852 C GLY A 56 -11.592 -13.662 -6.857 1.00 52.13 C ATOM 853 O GLY A 56 -10.708 -13.908 -7.678 1.00 50.52 O ATOM 0 H GLY A 56 -12.206 -12.966 -4.261 1.00 71.41 H new ATOM 0 HA2 GLY A 56 -10.755 -14.708 -5.190 1.00 74.41 H new ATOM 0 HA3 GLY A 56 -12.181 -15.466 -5.869 1.00 74.41 H new ATOM 857 N PHE A 57 -12.460 -12.666 -7.005 1.00 63.23 N ATOM 858 CA PHE A 57 -12.422 -11.786 -8.167 1.00 52.22 C ATOM 859 C PHE A 57 -12.518 -10.323 -7.744 1.00 52.25 C ATOM 860 O PHE A 57 -12.804 -10.018 -6.586 1.00 63.11 O ATOM 861 CB PHE A 57 -13.563 -12.126 -9.129 1.00 22.53 C ATOM 862 CG PHE A 57 -13.649 -13.589 -9.462 1.00 14.52 C ATOM 863 CD1 PHE A 57 -14.333 -14.462 -8.632 1.00 75.32 C ATOM 864 CD2 PHE A 57 -13.046 -14.089 -10.604 1.00 73.14 C ATOM 865 CE1 PHE A 57 -14.416 -15.808 -8.936 1.00 65.20 C ATOM 866 CE2 PHE A 57 -13.125 -15.434 -10.914 1.00 13.24 C ATOM 867 CZ PHE A 57 -13.810 -16.295 -10.078 1.00 3.42 C ATOM 0 H PHE A 57 -13.198 -12.449 -6.335 1.00 63.23 H new ATOM 0 HA PHE A 57 -11.470 -11.938 -8.675 1.00 52.22 H new ATOM 0 HB2 PHE A 57 -14.507 -11.805 -8.688 1.00 22.53 H new ATOM 0 HB3 PHE A 57 -13.432 -11.559 -10.050 1.00 22.53 H new ATOM 0 HD1 PHE A 57 -14.807 -14.087 -7.737 1.00 75.32 H new ATOM 0 HD2 PHE A 57 -12.508 -13.421 -11.260 1.00 73.14 H new ATOM 0 HE1 PHE A 57 -14.954 -16.478 -8.282 1.00 65.20 H new ATOM 0 HE2 PHE A 57 -12.652 -15.811 -11.809 1.00 13.24 H new ATOM 0 HZ PHE A 57 -13.872 -17.346 -10.317 1.00 3.42 H new ATOM 877 N ILE A 58 -12.277 -9.423 -8.692 1.00 12.44 N ATOM 878 CA ILE A 58 -12.337 -7.992 -8.418 1.00 62.10 C ATOM 879 C ILE A 58 -13.435 -7.321 -9.236 1.00 34.43 C ATOM 880 O ILE A 58 -13.179 -6.779 -10.310 1.00 70.01 O ATOM 881 CB ILE A 58 -10.993 -7.304 -8.723 1.00 20.23 C ATOM 882 CG1 ILE A 58 -9.865 -7.966 -7.929 1.00 1.25 C ATOM 883 CG2 ILE A 58 -11.074 -5.819 -8.402 1.00 65.22 C ATOM 884 CD1 ILE A 58 -8.548 -8.011 -8.672 1.00 53.10 C ATOM 0 H ILE A 58 -12.039 -9.659 -9.655 1.00 12.44 H new ATOM 0 HA ILE A 58 -12.560 -7.883 -7.357 1.00 62.10 H new ATOM 0 HB ILE A 58 -10.777 -7.415 -9.786 1.00 20.23 H new ATOM 0 HG12 ILE A 58 -9.726 -7.426 -6.992 1.00 1.25 H new ATOM 0 HG13 ILE A 58 -10.162 -8.982 -7.670 1.00 1.25 H new ATOM 0 HG21 ILE A 58 -10.117 -5.346 -8.623 1.00 65.22 H new ATOM 0 HG22 ILE A 58 -11.854 -5.358 -9.007 1.00 65.22 H new ATOM 0 HG23 ILE A 58 -11.309 -5.687 -7.346 1.00 65.22 H new ATOM 0 HD11 ILE A 58 -7.795 -8.493 -8.049 1.00 53.10 H new ATOM 0 HD12 ILE A 58 -8.671 -8.576 -9.596 1.00 53.10 H new ATOM 0 HD13 ILE A 58 -8.228 -6.996 -8.907 1.00 53.10 H new ATOM 896 N GLU A 59 -14.659 -7.361 -8.718 1.00 72.40 N ATOM 897 CA GLU A 59 -15.797 -6.756 -9.401 1.00 22.24 C ATOM 898 C GLU A 59 -15.516 -5.294 -9.734 1.00 40.21 C ATOM 899 O GLU A 59 -14.497 -4.738 -9.325 1.00 31.31 O ATOM 900 CB GLU A 59 -17.054 -6.861 -8.535 1.00 10.12 C ATOM 901 CG GLU A 59 -17.351 -8.274 -8.061 1.00 52.25 C ATOM 902 CD GLU A 59 -16.909 -8.515 -6.631 1.00 72.02 C ATOM 903 OE1 GLU A 59 -17.588 -8.018 -5.708 1.00 62.41 O ATOM 904 OE2 GLU A 59 -15.884 -9.201 -6.435 1.00 72.24 O ATOM 0 H GLU A 59 -14.888 -7.805 -7.829 1.00 72.40 H new ATOM 0 HA GLU A 59 -15.960 -7.298 -10.332 1.00 22.24 H new ATOM 0 HB2 GLU A 59 -16.942 -6.212 -7.667 1.00 10.12 H new ATOM 0 HB3 GLU A 59 -17.908 -6.490 -9.102 1.00 10.12 H new ATOM 0 HG2 GLU A 59 -18.421 -8.463 -8.143 1.00 52.25 H new ATOM 0 HG3 GLU A 59 -16.850 -8.986 -8.717 1.00 52.25 H new ATOM 911 N GLU A 60 -16.427 -4.677 -10.480 1.00 74.53 N ATOM 912 CA GLU A 60 -16.277 -3.280 -10.870 1.00 21.40 C ATOM 913 C GLU A 60 -16.252 -2.373 -9.643 1.00 62.13 C ATOM 914 O GLU A 60 -15.583 -1.339 -9.636 1.00 72.32 O ATOM 915 CB GLU A 60 -17.415 -2.863 -11.804 1.00 0.24 C ATOM 916 CG GLU A 60 -17.183 -3.245 -13.256 1.00 24.54 C ATOM 917 CD GLU A 60 -18.467 -3.286 -14.061 1.00 22.11 C ATOM 918 OE1 GLU A 60 -19.313 -2.388 -13.872 1.00 14.41 O ATOM 919 OE2 GLU A 60 -18.625 -4.216 -14.879 1.00 53.33 O ATOM 0 H GLU A 60 -17.277 -5.123 -10.826 1.00 74.53 H new ATOM 0 HA GLU A 60 -15.328 -3.176 -11.397 1.00 21.40 H new ATOM 0 HB2 GLU A 60 -18.342 -3.322 -11.460 1.00 0.24 H new ATOM 0 HB3 GLU A 60 -17.550 -1.783 -11.738 1.00 0.24 H new ATOM 0 HG2 GLU A 60 -16.496 -2.531 -13.710 1.00 24.54 H new ATOM 0 HG3 GLU A 60 -16.701 -4.222 -13.298 1.00 24.54 H new ATOM 926 N ASP A 61 -16.985 -2.767 -8.608 1.00 72.33 N ATOM 927 CA ASP A 61 -17.048 -1.991 -7.375 1.00 45.14 C ATOM 928 C ASP A 61 -15.667 -1.874 -6.737 1.00 12.14 C ATOM 929 O ASP A 61 -15.427 -0.991 -5.913 1.00 72.34 O ATOM 930 CB ASP A 61 -18.026 -2.634 -6.391 1.00 63.33 C ATOM 931 CG ASP A 61 -18.422 -1.694 -5.270 1.00 42.32 C ATOM 932 OD1 ASP A 61 -18.534 -0.477 -5.528 1.00 41.30 O ATOM 933 OD2 ASP A 61 -18.620 -2.175 -4.135 1.00 55.42 O ATOM 0 H ASP A 61 -17.544 -3.620 -8.598 1.00 72.33 H new ATOM 0 HA ASP A 61 -17.401 -0.990 -7.622 1.00 45.14 H new ATOM 0 HB2 ASP A 61 -18.920 -2.952 -6.927 1.00 63.33 H new ATOM 0 HB3 ASP A 61 -17.573 -3.530 -5.967 1.00 63.33 H new ATOM 938 N GLU A 62 -14.765 -2.771 -7.121 1.00 45.23 N ATOM 939 CA GLU A 62 -13.409 -2.768 -6.584 1.00 20.31 C ATOM 940 C GLU A 62 -12.392 -2.445 -7.675 1.00 21.52 C ATOM 941 O GLU A 62 -11.260 -2.052 -7.388 1.00 33.41 O ATOM 942 CB GLU A 62 -13.084 -4.124 -5.953 1.00 70.04 C ATOM 943 CG GLU A 62 -13.855 -5.281 -6.566 1.00 53.12 C ATOM 944 CD GLU A 62 -13.825 -6.526 -5.701 1.00 13.43 C ATOM 945 OE1 GLU A 62 -12.719 -6.942 -5.298 1.00 33.23 O ATOM 946 OE2 GLU A 62 -14.909 -7.083 -5.426 1.00 42.14 O ATOM 0 H GLU A 62 -14.948 -3.509 -7.801 1.00 45.23 H new ATOM 0 HA GLU A 62 -13.351 -1.995 -5.818 1.00 20.31 H new ATOM 0 HB2 GLU A 62 -12.016 -4.316 -6.055 1.00 70.04 H new ATOM 0 HB3 GLU A 62 -13.300 -4.080 -4.885 1.00 70.04 H new ATOM 0 HG2 GLU A 62 -14.890 -4.979 -6.725 1.00 53.12 H new ATOM 0 HG3 GLU A 62 -13.436 -5.513 -7.545 1.00 53.12 H new ATOM 953 N LEU A 63 -12.802 -2.615 -8.927 1.00 15.32 N ATOM 954 CA LEU A 63 -11.928 -2.342 -10.062 1.00 61.22 C ATOM 955 C LEU A 63 -11.704 -0.843 -10.230 1.00 10.35 C ATOM 956 O LEU A 63 -10.638 -0.408 -10.666 1.00 52.22 O ATOM 957 CB LEU A 63 -12.526 -2.926 -11.343 1.00 62.23 C ATOM 958 CG LEU A 63 -11.524 -3.438 -12.379 1.00 30.42 C ATOM 959 CD1 LEU A 63 -12.244 -3.887 -13.641 1.00 45.03 C ATOM 960 CD2 LEU A 63 -10.495 -2.365 -12.702 1.00 11.21 C ATOM 0 H LEU A 63 -13.734 -2.941 -9.182 1.00 15.32 H new ATOM 0 HA LEU A 63 -10.965 -2.815 -9.869 1.00 61.22 H new ATOM 0 HB2 LEU A 63 -13.187 -3.748 -11.069 1.00 62.23 H new ATOM 0 HB3 LEU A 63 -13.145 -2.162 -11.813 1.00 62.23 H new ATOM 0 HG LEU A 63 -11.002 -4.297 -11.958 1.00 30.42 H new ATOM 0 HD11 LEU A 63 -11.515 -4.248 -14.367 1.00 45.03 H new ATOM 0 HD12 LEU A 63 -12.941 -4.689 -13.397 1.00 45.03 H new ATOM 0 HD13 LEU A 63 -12.793 -3.046 -14.065 1.00 45.03 H new ATOM 0 HD21 LEU A 63 -9.790 -2.747 -13.441 1.00 11.21 H new ATOM 0 HD22 LEU A 63 -11.000 -1.486 -13.103 1.00 11.21 H new ATOM 0 HD23 LEU A 63 -9.957 -2.092 -11.794 1.00 11.21 H new ATOM 972 N LYS A 64 -12.715 -0.056 -9.877 1.00 52.14 N ATOM 973 CA LYS A 64 -12.629 1.396 -9.985 1.00 30.34 C ATOM 974 C LYS A 64 -11.512 1.941 -9.101 1.00 11.24 C ATOM 975 O LYS A 64 -10.887 2.951 -9.426 1.00 11.02 O ATOM 976 CB LYS A 64 -13.963 2.037 -9.594 1.00 25.45 C ATOM 977 CG LYS A 64 -14.539 1.497 -8.296 1.00 11.41 C ATOM 978 CD LYS A 64 -15.409 2.531 -7.601 1.00 35.35 C ATOM 979 CE LYS A 64 -16.590 2.940 -8.468 1.00 31.41 C ATOM 980 NZ LYS A 64 -17.889 2.726 -7.772 1.00 55.24 N ATOM 0 H LYS A 64 -13.604 -0.400 -9.513 1.00 52.14 H new ATOM 0 HA LYS A 64 -12.403 1.646 -11.022 1.00 30.34 H new ATOM 0 HB2 LYS A 64 -13.826 3.114 -9.501 1.00 25.45 H new ATOM 0 HB3 LYS A 64 -14.683 1.876 -10.396 1.00 25.45 H new ATOM 0 HG2 LYS A 64 -15.128 0.603 -8.502 1.00 11.41 H new ATOM 0 HG3 LYS A 64 -13.727 1.198 -7.633 1.00 11.41 H new ATOM 0 HD2 LYS A 64 -15.773 2.126 -6.657 1.00 35.35 H new ATOM 0 HD3 LYS A 64 -14.810 3.410 -7.362 1.00 35.35 H new ATOM 0 HE2 LYS A 64 -16.493 3.991 -8.741 1.00 31.41 H new ATOM 0 HE3 LYS A 64 -16.576 2.367 -9.395 1.00 31.41 H new ATOM 0 HZ1 LYS A 64 -18.669 3.017 -8.396 1.00 55.24 H new ATOM 0 HZ2 LYS A 64 -17.993 1.719 -7.533 1.00 55.24 H new ATOM 0 HZ3 LYS A 64 -17.913 3.293 -6.900 1.00 55.24 H new ATOM 994 N TYR A 65 -11.265 1.267 -7.983 1.00 74.33 N ATOM 995 CA TYR A 65 -10.224 1.685 -7.052 1.00 71.31 C ATOM 996 C TYR A 65 -8.848 1.240 -7.538 1.00 71.03 C ATOM 997 O TYR A 65 -7.883 1.222 -6.774 1.00 63.23 O ATOM 998 CB TYR A 65 -10.495 1.111 -5.660 1.00 54.52 C ATOM 999 CG TYR A 65 -11.635 1.793 -4.936 1.00 61.54 C ATOM 1000 CD1 TYR A 65 -11.751 3.177 -4.930 1.00 3.21 C ATOM 1001 CD2 TYR A 65 -12.595 1.052 -4.258 1.00 60.23 C ATOM 1002 CE1 TYR A 65 -12.790 3.804 -4.269 1.00 43.14 C ATOM 1003 CE2 TYR A 65 -13.638 1.670 -3.596 1.00 51.05 C ATOM 1004 CZ TYR A 65 -13.731 3.046 -3.605 1.00 10.23 C ATOM 1005 OH TYR A 65 -14.768 3.666 -2.945 1.00 62.24 O ATOM 0 H TYR A 65 -11.772 0.428 -7.700 1.00 74.33 H new ATOM 0 HA TYR A 65 -10.236 2.774 -6.998 1.00 71.31 H new ATOM 0 HB2 TYR A 65 -10.718 0.048 -5.751 1.00 54.52 H new ATOM 0 HB3 TYR A 65 -9.590 1.197 -5.058 1.00 54.52 H new ATOM 0 HD1 TYR A 65 -11.017 3.773 -5.451 1.00 3.21 H new ATOM 0 HD2 TYR A 65 -12.525 -0.026 -4.248 1.00 60.23 H new ATOM 0 HE1 TYR A 65 -12.864 4.881 -4.273 1.00 43.14 H new ATOM 0 HE2 TYR A 65 -14.376 1.079 -3.074 1.00 51.05 H new ATOM 0 HH TYR A 65 -15.343 2.989 -2.530 1.00 62.24 H new ATOM 1015 N PHE A 66 -8.766 0.882 -8.815 1.00 52.25 N ATOM 1016 CA PHE A 66 -7.509 0.437 -9.406 1.00 33.14 C ATOM 1017 C PHE A 66 -6.412 1.477 -9.198 1.00 13.11 C ATOM 1018 O PHE A 66 -5.236 1.137 -9.065 1.00 2.33 O ATOM 1019 CB PHE A 66 -7.692 0.163 -10.900 1.00 3.01 C ATOM 1020 CG PHE A 66 -6.399 -0.060 -11.631 1.00 24.03 C ATOM 1021 CD1 PHE A 66 -5.621 -1.176 -11.366 1.00 75.21 C ATOM 1022 CD2 PHE A 66 -5.960 0.847 -12.582 1.00 22.11 C ATOM 1023 CE1 PHE A 66 -4.431 -1.385 -12.037 1.00 51.40 C ATOM 1024 CE2 PHE A 66 -4.771 0.644 -13.256 1.00 63.53 C ATOM 1025 CZ PHE A 66 -4.005 -0.473 -12.983 1.00 2.13 C ATOM 0 H PHE A 66 -9.555 0.891 -9.461 1.00 52.25 H new ATOM 0 HA PHE A 66 -7.209 -0.486 -8.909 1.00 33.14 H new ATOM 0 HB2 PHE A 66 -8.327 -0.714 -11.025 1.00 3.01 H new ATOM 0 HB3 PHE A 66 -8.217 1.004 -11.354 1.00 3.01 H new ATOM 0 HD1 PHE A 66 -5.949 -1.891 -10.626 1.00 75.21 H new ATOM 0 HD2 PHE A 66 -6.554 1.723 -12.799 1.00 22.11 H new ATOM 0 HE1 PHE A 66 -3.835 -2.260 -11.822 1.00 51.40 H new ATOM 0 HE2 PHE A 66 -4.441 1.358 -13.996 1.00 63.53 H new ATOM 0 HZ PHE A 66 -3.075 -0.633 -13.508 1.00 2.13 H new ATOM 1035 N LEU A 67 -6.806 2.746 -9.172 1.00 63.41 N ATOM 1036 CA LEU A 67 -5.857 3.837 -8.981 1.00 42.12 C ATOM 1037 C LEU A 67 -5.544 4.035 -7.501 1.00 75.43 C ATOM 1038 O LEU A 67 -4.647 4.797 -7.144 1.00 20.24 O ATOM 1039 CB LEU A 67 -6.414 5.133 -9.574 1.00 23.30 C ATOM 1040 CG LEU A 67 -7.259 4.983 -10.839 1.00 34.10 C ATOM 1041 CD1 LEU A 67 -7.381 6.316 -11.561 1.00 22.11 C ATOM 1042 CD2 LEU A 67 -6.661 3.929 -11.759 1.00 30.42 C ATOM 0 H LEU A 67 -7.775 3.044 -9.281 1.00 63.41 H new ATOM 0 HA LEU A 67 -4.933 3.576 -9.497 1.00 42.12 H new ATOM 0 HB2 LEU A 67 -7.019 5.626 -8.813 1.00 23.30 H new ATOM 0 HB3 LEU A 67 -5.578 5.796 -9.796 1.00 23.30 H new ATOM 0 HG LEU A 67 -8.258 4.658 -10.548 1.00 34.10 H new ATOM 0 HD11 LEU A 67 -7.986 6.189 -12.459 1.00 22.11 H new ATOM 0 HD12 LEU A 67 -7.856 7.044 -10.903 1.00 22.11 H new ATOM 0 HD13 LEU A 67 -6.389 6.671 -11.839 1.00 22.11 H new ATOM 0 HD21 LEU A 67 -7.276 3.836 -12.654 1.00 30.42 H new ATOM 0 HD22 LEU A 67 -5.651 4.224 -12.042 1.00 30.42 H new ATOM 0 HD23 LEU A 67 -6.627 2.971 -11.241 1.00 30.42 H new ATOM 1054 N GLN A 68 -6.290 3.341 -6.647 1.00 1.32 N ATOM 1055 CA GLN A 68 -6.091 3.440 -5.206 1.00 21.13 C ATOM 1056 C GLN A 68 -5.167 2.334 -4.707 1.00 32.42 C ATOM 1057 O GLN A 68 -4.979 2.165 -3.502 1.00 11.11 O ATOM 1058 CB GLN A 68 -7.434 3.366 -4.478 1.00 32.01 C ATOM 1059 CG GLN A 68 -7.908 4.706 -3.938 1.00 32.40 C ATOM 1060 CD GLN A 68 -9.146 5.217 -4.649 1.00 63.41 C ATOM 1061 OE1 GLN A 68 -10.133 5.587 -4.013 1.00 42.31 O ATOM 1062 NE2 GLN A 68 -9.099 5.239 -5.976 1.00 55.10 N ATOM 0 H GLN A 68 -7.037 2.705 -6.928 1.00 1.32 H new ATOM 0 HA GLN A 68 -5.624 4.402 -4.994 1.00 21.13 H new ATOM 0 HB2 GLN A 68 -8.187 2.972 -5.161 1.00 32.01 H new ATOM 0 HB3 GLN A 68 -7.352 2.659 -3.652 1.00 32.01 H new ATOM 0 HG2 GLN A 68 -8.119 4.610 -2.873 1.00 32.40 H new ATOM 0 HG3 GLN A 68 -7.107 5.438 -4.040 1.00 32.40 H new ATOM 0 HE21 GLN A 68 -8.260 4.923 -6.462 1.00 55.10 H new ATOM 0 HE22 GLN A 68 -9.902 5.572 -6.509 1.00 55.10 H new ATOM 1071 N ARG A 69 -4.594 1.582 -5.641 1.00 43.20 N ATOM 1072 CA ARG A 69 -3.691 0.491 -5.296 1.00 22.22 C ATOM 1073 C ARG A 69 -2.240 0.882 -5.560 1.00 24.42 C ATOM 1074 O ARG A 69 -1.326 0.413 -4.880 1.00 51.30 O ATOM 1075 CB ARG A 69 -4.045 -0.765 -6.094 1.00 54.24 C ATOM 1076 CG ARG A 69 -5.508 -0.834 -6.502 1.00 61.33 C ATOM 1077 CD ARG A 69 -6.427 -0.774 -5.292 1.00 72.34 C ATOM 1078 NE ARG A 69 -5.922 -1.576 -4.181 1.00 73.01 N ATOM 1079 CZ ARG A 69 -6.291 -1.396 -2.918 1.00 11.22 C ATOM 1080 NH1 ARG A 69 -7.164 -0.447 -2.607 1.00 44.13 N ATOM 1081 NH2 ARG A 69 -5.787 -2.166 -1.962 1.00 33.01 N ATOM 0 H ARG A 69 -4.739 1.708 -6.643 1.00 43.20 H new ATOM 0 HA ARG A 69 -3.805 0.281 -4.232 1.00 22.22 H new ATOM 0 HB2 ARG A 69 -3.424 -0.804 -6.989 1.00 54.24 H new ATOM 0 HB3 ARG A 69 -3.800 -1.645 -5.499 1.00 54.24 H new ATOM 0 HG2 ARG A 69 -5.738 -0.009 -7.176 1.00 61.33 H new ATOM 0 HG3 ARG A 69 -5.690 -1.757 -7.053 1.00 61.33 H new ATOM 0 HD2 ARG A 69 -6.536 0.262 -4.971 1.00 72.34 H new ATOM 0 HD3 ARG A 69 -7.419 -1.127 -5.573 1.00 72.34 H new ATOM 0 HE ARG A 69 -5.249 -2.315 -4.386 1.00 73.01 H new ATOM 0 HH11 ARG A 69 -7.554 0.147 -3.339 1.00 44.13 H new ATOM 0 HH12 ARG A 69 -7.445 -0.311 -1.636 1.00 44.13 H new ATOM 0 HH21 ARG A 69 -5.115 -2.897 -2.197 1.00 33.01 H new ATOM 0 HH22 ARG A 69 -6.071 -2.027 -0.992 1.00 33.01 H new ATOM 1095 N PHE A 70 -2.035 1.742 -6.552 1.00 10.14 N ATOM 1096 CA PHE A 70 -0.695 2.195 -6.907 1.00 31.22 C ATOM 1097 C PHE A 70 -0.407 3.566 -6.303 1.00 43.33 C ATOM 1098 O PHE A 70 0.750 3.945 -6.124 1.00 1.52 O ATOM 1099 CB PHE A 70 -0.539 2.251 -8.428 1.00 14.41 C ATOM 1100 CG PHE A 70 -0.575 0.901 -9.085 1.00 12.22 C ATOM 1101 CD1 PHE A 70 -1.760 0.188 -9.169 1.00 12.21 C ATOM 1102 CD2 PHE A 70 0.576 0.345 -9.618 1.00 24.44 C ATOM 1103 CE1 PHE A 70 -1.797 -1.054 -9.773 1.00 62.51 C ATOM 1104 CE2 PHE A 70 0.546 -0.897 -10.223 1.00 71.33 C ATOM 1105 CZ PHE A 70 -0.642 -1.598 -10.300 1.00 62.20 C ATOM 0 H PHE A 70 -2.780 2.139 -7.125 1.00 10.14 H new ATOM 0 HA PHE A 70 0.022 1.481 -6.502 1.00 31.22 H new ATOM 0 HB2 PHE A 70 -1.334 2.870 -8.844 1.00 14.41 H new ATOM 0 HB3 PHE A 70 0.405 2.739 -8.671 1.00 14.41 H new ATOM 0 HD1 PHE A 70 -2.666 0.608 -8.757 1.00 12.21 H new ATOM 0 HD2 PHE A 70 1.508 0.888 -9.560 1.00 24.44 H new ATOM 0 HE1 PHE A 70 -2.728 -1.599 -9.833 1.00 62.51 H new ATOM 0 HE2 PHE A 70 1.450 -1.319 -10.635 1.00 71.33 H new ATOM 0 HZ PHE A 70 -0.668 -2.569 -10.771 1.00 62.20 H new ATOM 1115 N GLU A 71 -1.468 4.305 -5.993 1.00 63.13 N ATOM 1116 CA GLU A 71 -1.328 5.635 -5.412 1.00 32.34 C ATOM 1117 C GLU A 71 -1.859 5.661 -3.981 1.00 43.10 C ATOM 1118 O GLU A 71 -1.341 6.383 -3.129 1.00 12.20 O ATOM 1119 CB GLU A 71 -2.071 6.668 -6.262 1.00 23.14 C ATOM 1120 CG GLU A 71 -1.483 8.066 -6.172 1.00 5.04 C ATOM 1121 CD GLU A 71 -1.570 8.647 -4.774 1.00 22.34 C ATOM 1122 OE1 GLU A 71 -2.695 8.741 -4.240 1.00 71.41 O ATOM 1123 OE2 GLU A 71 -0.514 9.007 -4.213 1.00 42.54 O ATOM 0 H GLU A 71 -2.433 4.005 -6.134 1.00 63.13 H new ATOM 0 HA GLU A 71 -0.267 5.886 -5.393 1.00 32.34 H new ATOM 0 HB2 GLU A 71 -2.061 6.345 -7.303 1.00 23.14 H new ATOM 0 HB3 GLU A 71 -3.115 6.701 -5.949 1.00 23.14 H new ATOM 0 HG2 GLU A 71 -0.439 8.038 -6.485 1.00 5.04 H new ATOM 0 HG3 GLU A 71 -2.007 8.722 -6.867 1.00 5.04 H new ATOM 1130 N SER A 72 -2.895 4.869 -3.726 1.00 21.33 N ATOM 1131 CA SER A 72 -3.499 4.804 -2.400 1.00 71.21 C ATOM 1132 C SER A 72 -4.085 6.156 -2.003 1.00 64.42 C ATOM 1133 O SER A 72 -3.712 6.730 -0.981 1.00 50.22 O ATOM 1134 CB SER A 72 -2.463 4.360 -1.365 1.00 52.34 C ATOM 1135 OG SER A 72 -1.623 3.346 -1.888 1.00 23.14 O ATOM 0 H SER A 72 -3.334 4.263 -4.420 1.00 21.33 H new ATOM 0 HA SER A 72 -4.307 4.073 -2.431 1.00 71.21 H new ATOM 0 HB2 SER A 72 -1.860 5.215 -1.060 1.00 52.34 H new ATOM 0 HB3 SER A 72 -2.970 3.993 -0.473 1.00 52.34 H new ATOM 0 HG SER A 72 -0.969 3.080 -1.208 1.00 23.14 H new ATOM 1141 N GLY A 73 -5.005 6.658 -2.821 1.00 31.02 N ATOM 1142 CA GLY A 73 -5.628 7.938 -2.539 1.00 50.13 C ATOM 1143 C GLY A 73 -6.202 8.589 -3.782 1.00 14.12 C ATOM 1144 O GLY A 73 -7.078 9.449 -3.692 1.00 3.42 O ATOM 0 H GLY A 73 -5.330 6.201 -3.673 1.00 31.02 H new ATOM 0 HA2 GLY A 73 -6.422 7.798 -1.806 1.00 50.13 H new ATOM 0 HA3 GLY A 73 -4.893 8.605 -2.089 1.00 50.13 H new ATOM 1148 N ALA A 74 -5.708 8.179 -4.945 1.00 44.22 N ATOM 1149 CA ALA A 74 -6.178 8.728 -6.211 1.00 45.21 C ATOM 1150 C ALA A 74 -7.683 8.544 -6.364 1.00 75.22 C ATOM 1151 O ALA A 74 -8.344 7.994 -5.483 1.00 2.04 O ATOM 1152 CB ALA A 74 -5.443 8.077 -7.374 1.00 12.02 C ATOM 0 H ALA A 74 -4.982 7.468 -5.037 1.00 44.22 H new ATOM 0 HA ALA A 74 -5.967 9.797 -6.216 1.00 45.21 H new ATOM 0 HB1 ALA A 74 -5.804 8.496 -8.313 1.00 12.02 H new ATOM 0 HB2 ALA A 74 -4.374 8.265 -7.280 1.00 12.02 H new ATOM 0 HB3 ALA A 74 -5.624 7.002 -7.363 1.00 12.02 H new ATOM 1158 N ARG A 75 -8.220 9.007 -7.488 1.00 55.40 N ATOM 1159 CA ARG A 75 -9.649 8.895 -7.755 1.00 53.01 C ATOM 1160 C ARG A 75 -10.005 7.489 -8.228 1.00 60.34 C ATOM 1161 O ARG A 75 -9.137 6.624 -8.346 1.00 62.23 O ATOM 1162 CB ARG A 75 -10.076 9.921 -8.806 1.00 45.43 C ATOM 1163 CG ARG A 75 -9.337 9.783 -10.128 1.00 32.44 C ATOM 1164 CD ARG A 75 -9.753 10.862 -11.114 1.00 53.24 C ATOM 1165 NE ARG A 75 -11.201 10.902 -11.304 1.00 62.32 N ATOM 1166 CZ ARG A 75 -12.014 11.678 -10.597 1.00 2.23 C ATOM 1167 NH1 ARG A 75 -11.524 12.476 -9.658 1.00 25.22 N ATOM 1168 NH2 ARG A 75 -13.320 11.658 -10.828 1.00 52.31 N ATOM 0 H ARG A 75 -7.687 9.463 -8.228 1.00 55.40 H new ATOM 0 HA ARG A 75 -10.183 9.094 -6.826 1.00 53.01 H new ATOM 0 HB2 ARG A 75 -11.146 9.821 -8.986 1.00 45.43 H new ATOM 0 HB3 ARG A 75 -9.912 10.923 -8.411 1.00 45.43 H new ATOM 0 HG2 ARG A 75 -8.263 9.843 -9.953 1.00 32.44 H new ATOM 0 HG3 ARG A 75 -9.536 8.801 -10.557 1.00 32.44 H new ATOM 0 HD2 ARG A 75 -9.407 11.832 -10.757 1.00 53.24 H new ATOM 0 HD3 ARG A 75 -9.266 10.684 -12.073 1.00 53.24 H new ATOM 0 HE ARG A 75 -11.610 10.301 -12.019 1.00 62.32 H new ATOM 0 HH11 ARG A 75 -10.520 12.495 -9.477 1.00 25.22 H new ATOM 0 HH12 ARG A 75 -12.151 13.071 -9.116 1.00 25.22 H new ATOM 0 HH21 ARG A 75 -13.701 11.046 -11.550 1.00 52.31 H new ATOM 0 HH22 ARG A 75 -13.943 12.255 -10.284 1.00 52.31 H new ATOM 1182 N VAL A 76 -11.288 7.267 -8.498 1.00 3.14 N ATOM 1183 CA VAL A 76 -11.759 5.966 -8.958 1.00 44.44 C ATOM 1184 C VAL A 76 -12.066 5.991 -10.451 1.00 72.34 C ATOM 1185 O VAL A 76 -12.444 7.026 -11.002 1.00 32.30 O ATOM 1186 CB VAL A 76 -13.019 5.522 -8.193 1.00 12.41 C ATOM 1187 CG1 VAL A 76 -12.911 5.897 -6.723 1.00 23.44 C ATOM 1188 CG2 VAL A 76 -14.264 6.135 -8.817 1.00 32.32 C ATOM 0 H VAL A 76 -12.020 7.972 -8.406 1.00 3.14 H new ATOM 0 HA VAL A 76 -10.958 5.253 -8.766 1.00 44.44 H new ATOM 0 HB VAL A 76 -13.101 4.437 -8.262 1.00 12.41 H new ATOM 0 HG11 VAL A 76 -13.811 5.575 -6.198 1.00 23.44 H new ATOM 0 HG12 VAL A 76 -12.041 5.407 -6.286 1.00 23.44 H new ATOM 0 HG13 VAL A 76 -12.804 6.978 -6.630 1.00 23.44 H new ATOM 0 HG21 VAL A 76 -15.146 5.811 -8.264 1.00 32.32 H new ATOM 0 HG22 VAL A 76 -14.192 7.222 -8.780 1.00 32.32 H new ATOM 0 HG23 VAL A 76 -14.348 5.812 -9.855 1.00 32.32 H new ATOM 1198 N LEU A 77 -11.902 4.844 -11.102 1.00 54.21 N ATOM 1199 CA LEU A 77 -12.163 4.733 -12.533 1.00 72.31 C ATOM 1200 C LEU A 77 -13.588 5.167 -12.862 1.00 61.25 C ATOM 1201 O LEU A 77 -14.535 4.815 -12.158 1.00 62.11 O ATOM 1202 CB LEU A 77 -11.935 3.295 -13.003 1.00 24.14 C ATOM 1203 CG LEU A 77 -10.571 2.689 -12.669 1.00 32.53 C ATOM 1204 CD1 LEU A 77 -10.514 1.232 -13.104 1.00 4.43 C ATOM 1205 CD2 LEU A 77 -9.456 3.488 -13.327 1.00 13.11 C ATOM 0 H LEU A 77 -11.590 3.978 -10.662 1.00 54.21 H new ATOM 0 HA LEU A 77 -11.471 5.394 -13.056 1.00 72.31 H new ATOM 0 HB2 LEU A 77 -12.708 2.664 -12.565 1.00 24.14 H new ATOM 0 HB3 LEU A 77 -12.071 3.261 -14.084 1.00 24.14 H new ATOM 0 HG LEU A 77 -10.431 2.731 -11.589 1.00 32.53 H new ATOM 0 HD11 LEU A 77 -9.536 0.817 -12.859 1.00 4.43 H new ATOM 0 HD12 LEU A 77 -11.289 0.667 -12.586 1.00 4.43 H new ATOM 0 HD13 LEU A 77 -10.676 1.167 -14.180 1.00 4.43 H new ATOM 0 HD21 LEU A 77 -8.493 3.042 -13.078 1.00 13.11 H new ATOM 0 HD22 LEU A 77 -9.591 3.479 -14.409 1.00 13.11 H new ATOM 0 HD23 LEU A 77 -9.484 4.516 -12.966 1.00 13.11 H new ATOM 1217 N THR A 78 -13.734 5.932 -13.939 1.00 42.55 N ATOM 1218 CA THR A 78 -15.042 6.414 -14.363 1.00 75.14 C ATOM 1219 C THR A 78 -15.839 5.310 -15.050 1.00 24.23 C ATOM 1220 O THR A 78 -15.403 4.160 -15.104 1.00 54.14 O ATOM 1221 CB THR A 78 -14.916 7.612 -15.323 1.00 15.54 C ATOM 1222 OG1 THR A 78 -16.217 8.110 -15.659 1.00 24.50 O ATOM 1223 CG2 THR A 78 -14.176 7.215 -16.591 1.00 12.22 C ATOM 0 H THR A 78 -12.961 6.231 -14.534 1.00 42.55 H new ATOM 0 HA THR A 78 -15.568 6.733 -13.463 1.00 75.14 H new ATOM 0 HB THR A 78 -14.347 8.394 -14.820 1.00 15.54 H new ATOM 0 HG1 THR A 78 -16.731 8.261 -14.839 1.00 24.50 H new ATOM 0 HG21 THR A 78 -14.100 8.078 -17.253 1.00 12.22 H new ATOM 0 HG22 THR A 78 -13.176 6.865 -16.334 1.00 12.22 H new ATOM 0 HG23 THR A 78 -14.721 6.417 -17.096 1.00 12.22 H new ATOM 1231 N ALA A 79 -17.007 5.667 -15.573 1.00 21.12 N ATOM 1232 CA ALA A 79 -17.863 4.706 -16.258 1.00 45.34 C ATOM 1233 C ALA A 79 -17.285 4.330 -17.618 1.00 60.54 C ATOM 1234 O ALA A 79 -17.814 3.458 -18.308 1.00 52.34 O ATOM 1235 CB ALA A 79 -19.267 5.270 -16.417 1.00 30.41 C ATOM 0 H ALA A 79 -17.382 6.615 -15.536 1.00 21.12 H new ATOM 0 HA ALA A 79 -17.913 3.802 -15.651 1.00 45.34 H new ATOM 0 HB1 ALA A 79 -19.896 4.542 -16.930 1.00 30.41 H new ATOM 0 HB2 ALA A 79 -19.687 5.483 -15.434 1.00 30.41 H new ATOM 0 HB3 ALA A 79 -19.226 6.189 -17.001 1.00 30.41 H new ATOM 1241 N SER A 80 -16.197 4.992 -17.998 1.00 60.13 N ATOM 1242 CA SER A 80 -15.550 4.729 -19.279 1.00 12.34 C ATOM 1243 C SER A 80 -14.158 4.139 -19.073 1.00 53.32 C ATOM 1244 O SER A 80 -13.474 3.789 -20.034 1.00 21.33 O ATOM 1245 CB SER A 80 -15.455 6.017 -20.099 1.00 62.24 C ATOM 1246 OG SER A 80 -14.913 5.764 -21.384 1.00 73.42 O ATOM 0 H SER A 80 -15.745 5.714 -17.438 1.00 60.13 H new ATOM 0 HA SER A 80 -16.156 4.004 -19.823 1.00 12.34 H new ATOM 0 HB2 SER A 80 -16.445 6.462 -20.199 1.00 62.24 H new ATOM 0 HB3 SER A 80 -14.832 6.741 -19.574 1.00 62.24 H new ATOM 0 HG SER A 80 -14.243 5.051 -21.322 1.00 73.42 H new ATOM 1252 N GLU A 81 -13.747 4.033 -17.813 1.00 53.53 N ATOM 1253 CA GLU A 81 -12.437 3.487 -17.481 1.00 62.15 C ATOM 1254 C GLU A 81 -12.545 2.018 -17.082 1.00 12.35 C ATOM 1255 O GLU A 81 -11.970 1.142 -17.728 1.00 53.04 O ATOM 1256 CB GLU A 81 -11.797 4.290 -16.347 1.00 31.11 C ATOM 1257 CG GLU A 81 -11.243 5.634 -16.790 1.00 30.34 C ATOM 1258 CD GLU A 81 -10.843 6.513 -15.621 1.00 1.30 C ATOM 1259 OE1 GLU A 81 -10.049 6.050 -14.775 1.00 74.00 O ATOM 1260 OE2 GLU A 81 -11.323 7.664 -15.552 1.00 62.10 O ATOM 0 H GLU A 81 -14.302 4.318 -17.006 1.00 53.53 H new ATOM 0 HA GLU A 81 -11.807 3.559 -18.367 1.00 62.15 H new ATOM 0 HB2 GLU A 81 -12.538 4.452 -15.565 1.00 31.11 H new ATOM 0 HB3 GLU A 81 -10.992 3.702 -15.906 1.00 31.11 H new ATOM 0 HG2 GLU A 81 -10.377 5.472 -17.431 1.00 30.34 H new ATOM 0 HG3 GLU A 81 -11.992 6.152 -17.390 1.00 30.34 H new ATOM 1267 N THR A 82 -13.286 1.756 -16.010 1.00 15.05 N ATOM 1268 CA THR A 82 -13.470 0.395 -15.521 1.00 44.12 C ATOM 1269 C THR A 82 -13.880 -0.543 -16.650 1.00 71.50 C ATOM 1270 O THR A 82 -13.306 -1.620 -16.817 1.00 3.33 O ATOM 1271 CB THR A 82 -14.532 0.336 -14.408 1.00 13.13 C ATOM 1272 OG1 THR A 82 -15.287 1.553 -14.386 1.00 74.52 O ATOM 1273 CG2 THR A 82 -13.882 0.113 -13.051 1.00 33.44 C ATOM 0 H THR A 82 -13.769 2.469 -15.463 1.00 15.05 H new ATOM 0 HA THR A 82 -12.511 0.073 -15.114 1.00 44.12 H new ATOM 0 HB THR A 82 -15.198 -0.501 -14.616 1.00 13.13 H new ATOM 0 HG1 THR A 82 -15.961 1.507 -13.676 1.00 74.52 H new ATOM 0 HG21 THR A 82 -14.652 0.075 -12.281 1.00 33.44 H new ATOM 0 HG22 THR A 82 -13.332 -0.828 -13.061 1.00 33.44 H new ATOM 0 HG23 THR A 82 -13.195 0.932 -12.837 1.00 33.44 H new ATOM 1281 N LYS A 83 -14.877 -0.129 -17.424 1.00 72.44 N ATOM 1282 CA LYS A 83 -15.364 -0.932 -18.540 1.00 53.00 C ATOM 1283 C LYS A 83 -14.211 -1.383 -19.430 1.00 23.50 C ATOM 1284 O LYS A 83 -14.109 -2.558 -19.785 1.00 72.31 O ATOM 1285 CB LYS A 83 -16.377 -0.135 -19.365 1.00 1.50 C ATOM 1286 CG LYS A 83 -17.785 -0.168 -18.797 1.00 11.32 C ATOM 1287 CD LYS A 83 -18.635 -1.230 -19.474 1.00 23.12 C ATOM 1288 CE LYS A 83 -19.997 -1.360 -18.810 1.00 72.44 C ATOM 1289 NZ LYS A 83 -21.004 -0.455 -19.430 1.00 15.15 N ATOM 0 H LYS A 83 -15.364 0.758 -17.299 1.00 72.44 H new ATOM 0 HA LYS A 83 -15.852 -1.817 -18.132 1.00 53.00 H new ATOM 0 HB2 LYS A 83 -16.045 0.901 -19.430 1.00 1.50 H new ATOM 0 HB3 LYS A 83 -16.395 -0.528 -20.381 1.00 1.50 H new ATOM 0 HG2 LYS A 83 -17.742 -0.364 -17.726 1.00 11.32 H new ATOM 0 HG3 LYS A 83 -18.252 0.809 -18.924 1.00 11.32 H new ATOM 0 HD2 LYS A 83 -18.765 -0.977 -20.526 1.00 23.12 H new ATOM 0 HD3 LYS A 83 -18.118 -2.189 -19.438 1.00 23.12 H new ATOM 0 HE2 LYS A 83 -20.341 -2.392 -18.885 1.00 72.44 H new ATOM 0 HE3 LYS A 83 -19.907 -1.130 -17.748 1.00 72.44 H new ATOM 0 HZ1 LYS A 83 -21.919 -0.573 -18.950 1.00 15.15 H new ATOM 0 HZ2 LYS A 83 -20.688 0.532 -19.336 1.00 15.15 H new ATOM 0 HZ3 LYS A 83 -21.109 -0.691 -20.438 1.00 15.15 H new ATOM 1303 N THR A 84 -13.341 -0.443 -19.787 1.00 32.13 N ATOM 1304 CA THR A 84 -12.195 -0.744 -20.635 1.00 23.34 C ATOM 1305 C THR A 84 -11.357 -1.873 -20.045 1.00 64.14 C ATOM 1306 O THR A 84 -11.143 -2.902 -20.688 1.00 1.44 O ATOM 1307 CB THR A 84 -11.301 0.495 -20.832 1.00 22.44 C ATOM 1308 OG1 THR A 84 -12.103 1.625 -21.192 1.00 64.22 O ATOM 1309 CG2 THR A 84 -10.257 0.243 -21.909 1.00 23.31 C ATOM 0 H THR A 84 -13.409 0.534 -19.501 1.00 32.13 H new ATOM 0 HA THR A 84 -12.590 -1.055 -21.602 1.00 23.34 H new ATOM 0 HB THR A 84 -10.788 0.699 -19.892 1.00 22.44 H new ATOM 0 HG1 THR A 84 -12.351 2.121 -20.384 1.00 64.22 H new ATOM 0 HG21 THR A 84 -9.638 1.132 -22.030 1.00 23.31 H new ATOM 0 HG22 THR A 84 -9.630 -0.599 -21.618 1.00 23.31 H new ATOM 0 HG23 THR A 84 -10.754 0.016 -22.852 1.00 23.31 H new ATOM 1317 N PHE A 85 -10.884 -1.675 -18.819 1.00 72.12 N ATOM 1318 CA PHE A 85 -10.069 -2.677 -18.143 1.00 64.21 C ATOM 1319 C PHE A 85 -10.742 -4.046 -18.185 1.00 54.43 C ATOM 1320 O PHE A 85 -10.112 -5.051 -18.515 1.00 62.01 O ATOM 1321 CB PHE A 85 -9.816 -2.265 -16.691 1.00 71.13 C ATOM 1322 CG PHE A 85 -8.611 -2.923 -16.082 1.00 41.14 C ATOM 1323 CD1 PHE A 85 -8.700 -4.194 -15.537 1.00 52.51 C ATOM 1324 CD2 PHE A 85 -7.389 -2.271 -16.056 1.00 3.23 C ATOM 1325 CE1 PHE A 85 -7.593 -4.801 -14.976 1.00 2.45 C ATOM 1326 CE2 PHE A 85 -6.278 -2.873 -15.496 1.00 23.12 C ATOM 1327 CZ PHE A 85 -6.380 -4.140 -14.956 1.00 21.21 C ATOM 0 H PHE A 85 -11.051 -0.830 -18.273 1.00 72.12 H new ATOM 0 HA PHE A 85 -9.115 -2.745 -18.666 1.00 64.21 H new ATOM 0 HB2 PHE A 85 -9.691 -1.183 -16.645 1.00 71.13 H new ATOM 0 HB3 PHE A 85 -10.694 -2.510 -16.094 1.00 71.13 H new ATOM 0 HD1 PHE A 85 -9.645 -4.716 -15.551 1.00 52.51 H new ATOM 0 HD2 PHE A 85 -7.303 -1.281 -16.478 1.00 3.23 H new ATOM 0 HE1 PHE A 85 -7.676 -5.791 -14.553 1.00 2.45 H new ATOM 0 HE2 PHE A 85 -5.331 -2.353 -15.481 1.00 23.12 H new ATOM 0 HZ PHE A 85 -5.513 -4.613 -14.519 1.00 21.21 H new ATOM 1337 N LEU A 86 -12.027 -4.076 -17.849 1.00 30.33 N ATOM 1338 CA LEU A 86 -12.788 -5.321 -17.847 1.00 51.22 C ATOM 1339 C LEU A 86 -12.888 -5.900 -19.255 1.00 4.12 C ATOM 1340 O LEU A 86 -12.852 -7.116 -19.440 1.00 53.13 O ATOM 1341 CB LEU A 86 -14.189 -5.084 -17.280 1.00 71.35 C ATOM 1342 CG LEU A 86 -15.046 -6.332 -17.066 1.00 22.44 C ATOM 1343 CD1 LEU A 86 -14.752 -6.955 -15.710 1.00 5.14 C ATOM 1344 CD2 LEU A 86 -16.524 -5.992 -17.189 1.00 61.50 C ATOM 0 H LEU A 86 -12.564 -3.253 -17.575 1.00 30.33 H new ATOM 0 HA LEU A 86 -12.264 -6.038 -17.215 1.00 51.22 H new ATOM 0 HB2 LEU A 86 -14.090 -4.567 -16.325 1.00 71.35 H new ATOM 0 HB3 LEU A 86 -14.723 -4.412 -17.952 1.00 71.35 H new ATOM 0 HG LEU A 86 -14.795 -7.058 -17.839 1.00 22.44 H new ATOM 0 HD11 LEU A 86 -15.371 -7.842 -15.575 1.00 5.14 H new ATOM 0 HD12 LEU A 86 -13.700 -7.236 -15.659 1.00 5.14 H new ATOM 0 HD13 LEU A 86 -14.974 -6.235 -14.923 1.00 5.14 H new ATOM 0 HD21 LEU A 86 -17.119 -6.892 -17.034 1.00 61.50 H new ATOM 0 HD22 LEU A 86 -16.790 -5.248 -16.438 1.00 61.50 H new ATOM 0 HD23 LEU A 86 -16.724 -5.592 -18.183 1.00 61.50 H new ATOM 1356 N ALA A 87 -13.010 -5.020 -20.244 1.00 32.44 N ATOM 1357 CA ALA A 87 -13.110 -5.444 -21.635 1.00 33.03 C ATOM 1358 C ALA A 87 -11.729 -5.650 -22.247 1.00 2.33 C ATOM 1359 O ALA A 87 -11.604 -5.948 -23.434 1.00 23.30 O ATOM 1360 CB ALA A 87 -13.901 -4.424 -22.441 1.00 65.33 C ATOM 0 H ALA A 87 -13.042 -4.010 -20.107 1.00 32.44 H new ATOM 0 HA ALA A 87 -13.635 -6.399 -21.662 1.00 33.03 H new ATOM 0 HB1 ALA A 87 -13.968 -4.753 -23.478 1.00 65.33 H new ATOM 0 HB2 ALA A 87 -14.904 -4.330 -22.024 1.00 65.33 H new ATOM 0 HB3 ALA A 87 -13.398 -3.458 -22.399 1.00 65.33 H new ATOM 1366 N ALA A 88 -10.694 -5.487 -21.429 1.00 31.24 N ATOM 1367 CA ALA A 88 -9.322 -5.657 -21.890 1.00 3.53 C ATOM 1368 C ALA A 88 -8.636 -6.808 -21.162 1.00 72.01 C ATOM 1369 O ALA A 88 -7.588 -7.289 -21.591 1.00 3.14 O ATOM 1370 CB ALA A 88 -8.538 -4.367 -21.698 1.00 4.24 C ATOM 0 H ALA A 88 -10.780 -5.237 -20.444 1.00 31.24 H new ATOM 0 HA ALA A 88 -9.349 -5.899 -22.952 1.00 3.53 H new ATOM 0 HB1 ALA A 88 -7.515 -4.508 -22.046 1.00 4.24 H new ATOM 0 HB2 ALA A 88 -9.009 -3.567 -22.269 1.00 4.24 H new ATOM 0 HB3 ALA A 88 -8.528 -4.101 -20.641 1.00 4.24 H new ATOM 1376 N ALA A 89 -9.235 -7.245 -20.059 1.00 72.22 N ATOM 1377 CA ALA A 89 -8.683 -8.341 -19.273 1.00 64.20 C ATOM 1378 C ALA A 89 -9.660 -9.510 -19.197 1.00 44.43 C ATOM 1379 O ALA A 89 -9.336 -10.628 -19.593 1.00 63.25 O ATOM 1380 CB ALA A 89 -8.324 -7.859 -17.875 1.00 64.42 C ATOM 0 H ALA A 89 -10.103 -6.856 -19.690 1.00 72.22 H new ATOM 0 HA ALA A 89 -7.778 -8.691 -19.769 1.00 64.20 H new ATOM 0 HB1 ALA A 89 -7.913 -8.688 -17.299 1.00 64.42 H new ATOM 0 HB2 ALA A 89 -7.583 -7.062 -17.944 1.00 64.42 H new ATOM 0 HB3 ALA A 89 -9.218 -7.481 -17.380 1.00 64.42 H new ATOM 1386 N ASP A 90 -10.856 -9.242 -18.685 1.00 55.21 N ATOM 1387 CA ASP A 90 -11.881 -10.272 -18.556 1.00 64.24 C ATOM 1388 C ASP A 90 -12.281 -10.815 -19.925 1.00 22.43 C ATOM 1389 O ASP A 90 -11.885 -11.917 -20.308 1.00 3.24 O ATOM 1390 CB ASP A 90 -13.110 -9.712 -17.838 1.00 41.22 C ATOM 1391 CG ASP A 90 -12.978 -9.780 -16.330 1.00 71.34 C ATOM 1392 OD1 ASP A 90 -12.189 -9.049 -15.732 1.00 12.42 O ATOM 1393 OD2 ASP A 90 -13.751 -10.662 -15.707 1.00 22.02 O ATOM 0 H ASP A 90 -11.140 -8.320 -18.352 1.00 55.21 H new ATOM 0 HA ASP A 90 -11.467 -11.090 -17.967 1.00 64.24 H new ATOM 0 HB2 ASP A 90 -13.264 -8.676 -18.140 1.00 41.22 H new ATOM 0 HB3 ASP A 90 -13.994 -10.269 -18.148 1.00 41.22 H new ATOM 1398 N HIS A 91 -13.068 -10.035 -20.658 1.00 51.21 N ATOM 1399 CA HIS A 91 -13.521 -10.437 -21.985 1.00 53.30 C ATOM 1400 C HIS A 91 -14.488 -11.614 -21.896 1.00 4.04 C ATOM 1401 O HIS A 91 -14.877 -12.189 -22.912 1.00 43.24 O ATOM 1402 CB HIS A 91 -12.327 -10.808 -22.864 1.00 42.03 C ATOM 1403 CG HIS A 91 -12.623 -10.751 -24.331 1.00 64.54 C ATOM 1404 ND1 HIS A 91 -11.684 -11.038 -25.300 1.00 21.30 N ATOM 1405 CD2 HIS A 91 -13.761 -10.440 -24.994 1.00 33.43 C ATOM 1406 CE1 HIS A 91 -12.232 -10.904 -26.494 1.00 60.45 C ATOM 1407 NE2 HIS A 91 -13.492 -10.543 -26.336 1.00 55.34 N ATOM 0 H HIS A 91 -13.405 -9.121 -20.356 1.00 51.21 H new ATOM 0 HA HIS A 91 -14.044 -9.593 -22.434 1.00 53.30 H new ATOM 0 HB2 HIS A 91 -11.500 -10.134 -22.642 1.00 42.03 H new ATOM 0 HB3 HIS A 91 -11.996 -11.814 -22.607 1.00 42.03 H new ATOM 0 HD2 HIS A 91 -14.705 -10.162 -24.550 1.00 33.43 H new ATOM 0 HE1 HIS A 91 -11.734 -11.063 -27.439 1.00 60.45 H new ATOM 0 HE2 HIS A 91 -14.158 -10.369 -27.089 1.00 55.34 H new ATOM 1415 N ASP A 92 -14.870 -11.967 -20.674 1.00 31.55 N ATOM 1416 CA ASP A 92 -15.791 -13.076 -20.451 1.00 71.14 C ATOM 1417 C ASP A 92 -17.183 -12.563 -20.094 1.00 62.25 C ATOM 1418 O ASP A 92 -18.159 -13.311 -20.132 1.00 13.44 O ATOM 1419 CB ASP A 92 -15.269 -13.986 -19.339 1.00 24.13 C ATOM 1420 CG ASP A 92 -14.292 -13.277 -18.422 1.00 3.24 C ATOM 1421 OD1 ASP A 92 -14.745 -12.662 -17.433 1.00 44.23 O ATOM 1422 OD2 ASP A 92 -13.074 -13.337 -18.692 1.00 31.43 O ATOM 0 H ASP A 92 -14.556 -11.502 -19.822 1.00 31.55 H new ATOM 0 HA ASP A 92 -15.860 -13.649 -21.376 1.00 71.14 H new ATOM 0 HB2 ASP A 92 -16.110 -14.357 -18.753 1.00 24.13 H new ATOM 0 HB3 ASP A 92 -14.782 -14.854 -19.783 1.00 24.13 H new ATOM 1427 N GLY A 93 -17.265 -11.282 -19.747 1.00 71.25 N ATOM 1428 CA GLY A 93 -18.541 -10.692 -19.388 1.00 0.34 C ATOM 1429 C GLY A 93 -18.977 -11.064 -17.985 1.00 31.35 C ATOM 1430 O GLY A 93 -20.161 -10.988 -17.654 1.00 43.22 O ATOM 0 H GLY A 93 -16.471 -10.643 -19.708 1.00 71.25 H new ATOM 0 HA2 GLY A 93 -18.472 -9.607 -19.468 1.00 0.34 H new ATOM 0 HA3 GLY A 93 -19.301 -11.016 -20.099 1.00 0.34 H new ATOM 1434 N ASP A 94 -18.020 -11.470 -17.157 1.00 71.15 N ATOM 1435 CA ASP A 94 -18.312 -11.857 -15.782 1.00 5.11 C ATOM 1436 C ASP A 94 -18.523 -10.627 -14.905 1.00 3.13 C ATOM 1437 O ASP A 94 -19.375 -10.623 -14.018 1.00 34.31 O ATOM 1438 CB ASP A 94 -17.175 -12.712 -15.218 1.00 53.43 C ATOM 1439 CG ASP A 94 -16.799 -13.855 -16.140 1.00 32.22 C ATOM 1440 OD1 ASP A 94 -17.599 -14.176 -17.044 1.00 5.41 O ATOM 1441 OD2 ASP A 94 -15.706 -14.431 -15.956 1.00 42.53 O ATOM 0 H ASP A 94 -17.035 -11.539 -17.415 1.00 71.15 H new ATOM 0 HA ASP A 94 -19.231 -12.443 -15.782 1.00 5.11 H new ATOM 0 HB2 ASP A 94 -16.301 -12.083 -15.048 1.00 53.43 H new ATOM 0 HB3 ASP A 94 -17.472 -13.113 -14.249 1.00 53.43 H new ATOM 1446 N GLY A 95 -17.739 -9.583 -15.158 1.00 63.34 N ATOM 1447 CA GLY A 95 -17.855 -8.362 -14.383 1.00 23.44 C ATOM 1448 C GLY A 95 -16.984 -8.379 -13.142 1.00 44.42 C ATOM 1449 O GLY A 95 -17.234 -7.641 -12.189 1.00 3.03 O ATOM 0 H GLY A 95 -17.025 -9.562 -15.886 1.00 63.34 H new ATOM 0 HA2 GLY A 95 -17.578 -7.512 -15.006 1.00 23.44 H new ATOM 0 HA3 GLY A 95 -18.895 -8.218 -14.091 1.00 23.44 H new ATOM 1453 N LYS A 96 -15.958 -9.223 -13.152 1.00 71.34 N ATOM 1454 CA LYS A 96 -15.046 -9.334 -12.020 1.00 72.30 C ATOM 1455 C LYS A 96 -13.712 -9.934 -12.452 1.00 71.15 C ATOM 1456 O LYS A 96 -13.652 -11.080 -12.900 1.00 52.41 O ATOM 1457 CB LYS A 96 -15.671 -10.194 -10.918 1.00 44.53 C ATOM 1458 CG LYS A 96 -16.078 -11.580 -11.386 1.00 15.11 C ATOM 1459 CD LYS A 96 -17.579 -11.675 -11.607 1.00 2.03 C ATOM 1460 CE LYS A 96 -18.240 -12.568 -10.568 1.00 64.42 C ATOM 1461 NZ LYS A 96 -18.405 -13.964 -11.062 1.00 11.35 N ATOM 0 H LYS A 96 -15.737 -9.841 -13.933 1.00 71.34 H new ATOM 0 HA LYS A 96 -14.865 -8.332 -11.632 1.00 72.30 H new ATOM 0 HB2 LYS A 96 -14.960 -10.291 -10.097 1.00 44.53 H new ATOM 0 HB3 LYS A 96 -16.548 -9.681 -10.522 1.00 44.53 H new ATOM 0 HG2 LYS A 96 -15.557 -11.820 -12.313 1.00 15.11 H new ATOM 0 HG3 LYS A 96 -15.770 -12.320 -10.647 1.00 15.11 H new ATOM 0 HD2 LYS A 96 -18.018 -10.678 -11.564 1.00 2.03 H new ATOM 0 HD3 LYS A 96 -17.777 -12.067 -12.604 1.00 2.03 H new ATOM 0 HE2 LYS A 96 -17.640 -12.573 -9.658 1.00 64.42 H new ATOM 0 HE3 LYS A 96 -19.215 -12.158 -10.304 1.00 64.42 H new ATOM 0 HZ1 LYS A 96 -18.859 -14.541 -10.326 1.00 11.35 H new ATOM 0 HZ2 LYS A 96 -18.999 -13.962 -11.916 1.00 11.35 H new ATOM 0 HZ3 LYS A 96 -17.472 -14.364 -11.290 1.00 11.35 H new ATOM 1475 N ILE A 97 -12.645 -9.154 -12.315 1.00 14.15 N ATOM 1476 CA ILE A 97 -11.313 -9.610 -12.689 1.00 25.03 C ATOM 1477 C ILE A 97 -10.878 -10.797 -11.835 1.00 40.25 C ATOM 1478 O ILE A 97 -11.300 -10.938 -10.689 1.00 33.13 O ATOM 1479 CB ILE A 97 -10.272 -8.483 -12.549 1.00 30.23 C ATOM 1480 CG1 ILE A 97 -10.616 -7.323 -13.485 1.00 43.10 C ATOM 1481 CG2 ILE A 97 -8.876 -9.012 -12.842 1.00 20.00 C ATOM 1482 CD1 ILE A 97 -10.131 -7.527 -14.903 1.00 72.24 C ATOM 0 H ILE A 97 -12.678 -8.203 -11.948 1.00 14.15 H new ATOM 0 HA ILE A 97 -11.366 -9.917 -13.734 1.00 25.03 H new ATOM 0 HB ILE A 97 -10.291 -8.115 -11.523 1.00 30.23 H new ATOM 0 HG12 ILE A 97 -11.697 -7.184 -13.496 1.00 43.10 H new ATOM 0 HG13 ILE A 97 -10.180 -6.406 -13.089 1.00 43.10 H new ATOM 0 HG21 ILE A 97 -8.152 -8.204 -12.739 1.00 20.00 H new ATOM 0 HG22 ILE A 97 -8.634 -9.808 -12.138 1.00 20.00 H new ATOM 0 HG23 ILE A 97 -8.841 -9.403 -13.859 1.00 20.00 H new ATOM 0 HD11 ILE A 97 -10.410 -6.666 -15.510 1.00 72.24 H new ATOM 0 HD12 ILE A 97 -9.046 -7.636 -14.904 1.00 72.24 H new ATOM 0 HD13 ILE A 97 -10.587 -8.426 -15.318 1.00 72.24 H new ATOM 1494 N GLY A 98 -10.029 -11.648 -12.404 1.00 2.15 N ATOM 1495 CA GLY A 98 -9.549 -12.811 -11.680 1.00 72.12 C ATOM 1496 C GLY A 98 -8.061 -13.033 -11.860 1.00 45.53 C ATOM 1497 O GLY A 98 -7.323 -12.103 -12.185 1.00 42.25 O ATOM 0 H GLY A 98 -9.665 -11.553 -13.352 1.00 2.15 H new ATOM 0 HA2 GLY A 98 -9.770 -12.691 -10.619 1.00 72.12 H new ATOM 0 HA3 GLY A 98 -10.089 -13.695 -12.020 1.00 72.12 H new ATOM 1501 N ALA A 99 -7.617 -14.267 -11.647 1.00 34.21 N ATOM 1502 CA ALA A 99 -6.207 -14.608 -11.788 1.00 12.21 C ATOM 1503 C ALA A 99 -5.943 -15.314 -13.113 1.00 60.41 C ATOM 1504 O ALA A 99 -4.820 -15.737 -13.388 1.00 15.10 O ATOM 1505 CB ALA A 99 -5.755 -15.478 -10.624 1.00 55.13 C ATOM 0 H ALA A 99 -8.214 -15.048 -11.376 1.00 34.21 H new ATOM 0 HA ALA A 99 -5.632 -13.682 -11.779 1.00 12.21 H new ATOM 0 HB1 ALA A 99 -4.700 -15.725 -10.743 1.00 55.13 H new ATOM 0 HB2 ALA A 99 -5.898 -14.937 -9.689 1.00 55.13 H new ATOM 0 HB3 ALA A 99 -6.343 -16.396 -10.606 1.00 55.13 H new ATOM 1511 N GLU A 100 -6.984 -15.439 -13.930 1.00 34.41 N ATOM 1512 CA GLU A 100 -6.863 -16.097 -15.226 1.00 13.12 C ATOM 1513 C GLU A 100 -7.180 -15.126 -16.360 1.00 24.20 C ATOM 1514 O GLU A 100 -7.040 -15.463 -17.535 1.00 50.12 O ATOM 1515 CB GLU A 100 -7.799 -17.306 -15.299 1.00 4.33 C ATOM 1516 CG GLU A 100 -7.180 -18.587 -14.766 1.00 64.24 C ATOM 1517 CD GLU A 100 -8.190 -19.710 -14.628 1.00 42.45 C ATOM 1518 OE1 GLU A 100 -8.920 -19.730 -13.616 1.00 21.33 O ATOM 1519 OE2 GLU A 100 -8.250 -20.567 -15.534 1.00 60.33 O ATOM 0 H GLU A 100 -7.920 -15.094 -13.718 1.00 34.41 H new ATOM 0 HA GLU A 100 -5.833 -16.437 -15.338 1.00 13.12 H new ATOM 0 HB2 GLU A 100 -8.705 -17.088 -14.734 1.00 4.33 H new ATOM 0 HB3 GLU A 100 -8.099 -17.461 -16.335 1.00 4.33 H new ATOM 0 HG2 GLU A 100 -6.379 -18.904 -15.434 1.00 64.24 H new ATOM 0 HG3 GLU A 100 -6.726 -18.390 -13.795 1.00 64.24 H new ATOM 1526 N GLU A 101 -7.607 -13.921 -15.997 1.00 41.45 N ATOM 1527 CA GLU A 101 -7.944 -12.902 -16.985 1.00 14.24 C ATOM 1528 C GLU A 101 -7.195 -11.603 -16.704 1.00 2.44 C ATOM 1529 O GLU A 101 -7.375 -10.605 -17.403 1.00 24.40 O ATOM 1530 CB GLU A 101 -9.452 -12.643 -16.988 1.00 14.12 C ATOM 1531 CG GLU A 101 -9.990 -12.159 -15.651 1.00 62.14 C ATOM 1532 CD GLU A 101 -11.419 -12.600 -15.403 1.00 71.51 C ATOM 1533 OE1 GLU A 101 -12.078 -13.048 -16.365 1.00 21.34 O ATOM 1534 OE2 GLU A 101 -11.878 -12.498 -14.246 1.00 74.02 O ATOM 0 H GLU A 101 -7.728 -13.626 -15.028 1.00 41.45 H new ATOM 0 HA GLU A 101 -7.643 -13.270 -17.966 1.00 14.24 H new ATOM 0 HB2 GLU A 101 -9.683 -11.902 -17.753 1.00 14.12 H new ATOM 0 HB3 GLU A 101 -9.969 -13.561 -17.267 1.00 14.12 H new ATOM 0 HG2 GLU A 101 -9.354 -12.535 -14.850 1.00 62.14 H new ATOM 0 HG3 GLU A 101 -9.938 -11.071 -15.615 1.00 62.14 H new ATOM 1541 N PHE A 102 -6.354 -11.622 -15.675 1.00 31.14 N ATOM 1542 CA PHE A 102 -5.578 -10.446 -15.299 1.00 61.11 C ATOM 1543 C PHE A 102 -4.225 -10.439 -16.005 1.00 54.15 C ATOM 1544 O PHE A 102 -3.980 -9.617 -16.888 1.00 64.31 O ATOM 1545 CB PHE A 102 -5.375 -10.406 -13.783 1.00 45.32 C ATOM 1546 CG PHE A 102 -4.590 -9.213 -13.315 1.00 73.31 C ATOM 1547 CD1 PHE A 102 -3.206 -9.251 -13.274 1.00 41.51 C ATOM 1548 CD2 PHE A 102 -5.238 -8.055 -12.916 1.00 22.25 C ATOM 1549 CE1 PHE A 102 -2.481 -8.155 -12.844 1.00 52.22 C ATOM 1550 CE2 PHE A 102 -4.518 -6.956 -12.485 1.00 75.42 C ATOM 1551 CZ PHE A 102 -3.139 -7.007 -12.448 1.00 44.43 C ATOM 0 H PHE A 102 -6.193 -12.439 -15.086 1.00 31.14 H new ATOM 0 HA PHE A 102 -6.134 -9.561 -15.608 1.00 61.11 H new ATOM 0 HB2 PHE A 102 -6.349 -10.405 -13.294 1.00 45.32 H new ATOM 0 HB3 PHE A 102 -4.862 -11.315 -13.469 1.00 45.32 H new ATOM 0 HD1 PHE A 102 -2.687 -10.147 -13.581 1.00 41.51 H new ATOM 0 HD2 PHE A 102 -6.317 -8.010 -12.942 1.00 22.25 H new ATOM 0 HE1 PHE A 102 -1.402 -8.196 -12.818 1.00 52.22 H new ATOM 0 HE2 PHE A 102 -5.034 -6.058 -12.178 1.00 75.42 H new ATOM 0 HZ PHE A 102 -2.575 -6.150 -12.110 1.00 44.43 H new ATOM 1561 N GLN A 103 -3.353 -11.360 -15.609 1.00 43.22 N ATOM 1562 CA GLN A 103 -2.025 -11.459 -16.203 1.00 42.21 C ATOM 1563 C GLN A 103 -2.111 -11.505 -17.725 1.00 52.31 C ATOM 1564 O GLN A 103 -1.275 -10.930 -18.421 1.00 2.43 O ATOM 1565 CB GLN A 103 -1.302 -12.703 -15.684 1.00 11.13 C ATOM 1566 CG GLN A 103 -2.041 -14.000 -15.971 1.00 12.03 C ATOM 1567 CD GLN A 103 -2.042 -14.945 -14.786 1.00 34.44 C ATOM 1568 OE1 GLN A 103 -1.697 -16.120 -14.914 1.00 30.42 O ATOM 1569 NE2 GLN A 103 -2.432 -14.437 -13.622 1.00 43.35 N ATOM 0 H GLN A 103 -3.542 -12.048 -14.880 1.00 43.22 H new ATOM 0 HA GLN A 103 -1.460 -10.572 -15.916 1.00 42.21 H new ATOM 0 HB2 GLN A 103 -0.311 -12.752 -16.135 1.00 11.13 H new ATOM 0 HB3 GLN A 103 -1.158 -12.607 -14.608 1.00 11.13 H new ATOM 0 HG2 GLN A 103 -3.070 -13.773 -16.251 1.00 12.03 H new ATOM 0 HG3 GLN A 103 -1.580 -14.495 -16.825 1.00 12.03 H new ATOM 0 HE21 GLN A 103 -2.710 -13.457 -13.560 1.00 43.35 H new ATOM 0 HE22 GLN A 103 -2.454 -15.026 -12.790 1.00 43.35 H new ATOM 1578 N GLU A 104 -3.128 -12.193 -18.235 1.00 0.12 N ATOM 1579 CA GLU A 104 -3.322 -12.314 -19.675 1.00 22.20 C ATOM 1580 C GLU A 104 -3.411 -10.939 -20.330 1.00 12.33 C ATOM 1581 O GLU A 104 -3.012 -10.760 -21.480 1.00 75.32 O ATOM 1582 CB GLU A 104 -4.589 -13.117 -19.976 1.00 21.54 C ATOM 1583 CG GLU A 104 -4.706 -14.396 -19.163 1.00 13.13 C ATOM 1584 CD GLU A 104 -3.470 -15.268 -19.265 1.00 3.43 C ATOM 1585 OE1 GLU A 104 -2.972 -15.462 -20.393 1.00 23.30 O ATOM 1586 OE2 GLU A 104 -3.000 -15.755 -18.215 1.00 10.10 O ATOM 0 H GLU A 104 -3.830 -12.675 -17.673 1.00 0.12 H new ATOM 0 HA GLU A 104 -2.461 -12.839 -20.088 1.00 22.20 H new ATOM 0 HB2 GLU A 104 -5.460 -12.492 -19.781 1.00 21.54 H new ATOM 0 HB3 GLU A 104 -4.607 -13.368 -21.037 1.00 21.54 H new ATOM 0 HG2 GLU A 104 -4.882 -14.143 -18.118 1.00 13.13 H new ATOM 0 HG3 GLU A 104 -5.574 -14.961 -19.504 1.00 13.13 H new ATOM 1593 N MET A 105 -3.938 -9.970 -19.588 1.00 0.11 N ATOM 1594 CA MET A 105 -4.079 -8.610 -20.096 1.00 34.24 C ATOM 1595 C MET A 105 -2.769 -7.840 -19.960 1.00 74.45 C ATOM 1596 O MET A 105 -2.581 -6.800 -20.592 1.00 31.24 O ATOM 1597 CB MET A 105 -5.195 -7.877 -19.348 1.00 23.12 C ATOM 1598 CG MET A 105 -4.717 -7.157 -18.098 1.00 4.43 C ATOM 1599 SD MET A 105 -4.592 -5.373 -18.329 1.00 14.33 S ATOM 1600 CE MET A 105 -6.315 -4.940 -18.558 1.00 34.32 C ATOM 0 H MET A 105 -4.274 -10.101 -18.634 1.00 0.11 H new ATOM 0 HA MET A 105 -4.337 -8.669 -21.153 1.00 34.24 H new ATOM 0 HB2 MET A 105 -5.657 -7.154 -20.020 1.00 23.12 H new ATOM 0 HB3 MET A 105 -5.968 -8.594 -19.071 1.00 23.12 H new ATOM 0 HG2 MET A 105 -5.404 -7.366 -17.278 1.00 4.43 H new ATOM 0 HG3 MET A 105 -3.743 -7.551 -17.806 1.00 4.43 H new ATOM 0 HE1 MET A 105 -6.491 -3.935 -18.176 1.00 34.32 H new ATOM 0 HE2 MET A 105 -6.560 -4.973 -19.619 1.00 34.32 H new ATOM 0 HE3 MET A 105 -6.943 -5.649 -18.018 1.00 34.32 H new ATOM 1610 N VAL A 106 -1.867 -8.358 -19.133 1.00 44.14 N ATOM 1611 CA VAL A 106 -0.574 -7.719 -18.916 1.00 61.43 C ATOM 1612 C VAL A 106 0.412 -8.084 -20.021 1.00 15.01 C ATOM 1613 O VAL A 106 0.654 -7.296 -20.934 1.00 51.52 O ATOM 1614 CB VAL A 106 0.027 -8.118 -17.555 1.00 42.42 C ATOM 1615 CG1 VAL A 106 1.238 -7.255 -17.233 1.00 14.32 C ATOM 1616 CG2 VAL A 106 -1.021 -8.011 -16.458 1.00 55.24 C ATOM 0 H VAL A 106 -2.007 -9.218 -18.602 1.00 44.14 H new ATOM 0 HA VAL A 106 -0.746 -6.643 -18.928 1.00 61.43 H new ATOM 0 HB VAL A 106 0.355 -9.156 -17.612 1.00 42.42 H new ATOM 0 HG11 VAL A 106 1.649 -7.551 -16.268 1.00 14.32 H new ATOM 0 HG12 VAL A 106 1.995 -7.387 -18.006 1.00 14.32 H new ATOM 0 HG13 VAL A 106 0.938 -6.208 -17.194 1.00 14.32 H new ATOM 0 HG21 VAL A 106 -0.579 -8.297 -15.503 1.00 55.24 H new ATOM 0 HG22 VAL A 106 -1.382 -6.984 -16.398 1.00 55.24 H new ATOM 0 HG23 VAL A 106 -1.855 -8.676 -16.685 1.00 55.24 H new ATOM 1626 N GLN A 107 0.976 -9.284 -19.930 1.00 40.25 N ATOM 1627 CA GLN A 107 1.936 -9.753 -20.923 1.00 12.30 C ATOM 1628 C GLN A 107 1.286 -9.864 -22.298 1.00 43.34 C ATOM 1629 O GLN A 107 1.923 -9.604 -23.319 1.00 41.32 O ATOM 1630 CB GLN A 107 2.511 -11.108 -20.507 1.00 2.53 C ATOM 1631 CG GLN A 107 3.242 -11.075 -19.174 1.00 13.30 C ATOM 1632 CD GLN A 107 2.821 -12.201 -18.250 1.00 42.50 C ATOM 1633 OE1 GLN A 107 3.644 -13.015 -17.830 1.00 1.41 O ATOM 1634 NE2 GLN A 107 1.534 -12.253 -17.928 1.00 10.11 N ATOM 0 H GLN A 107 0.785 -9.949 -19.180 1.00 40.25 H new ATOM 0 HA GLN A 107 2.745 -9.025 -20.981 1.00 12.30 H new ATOM 0 HB2 GLN A 107 1.701 -11.835 -20.450 1.00 2.53 H new ATOM 0 HB3 GLN A 107 3.197 -11.455 -21.280 1.00 2.53 H new ATOM 0 HG2 GLN A 107 4.316 -11.137 -19.351 1.00 13.30 H new ATOM 0 HG3 GLN A 107 3.055 -10.119 -18.685 1.00 13.30 H new ATOM 0 HE21 GLN A 107 0.887 -11.557 -18.299 1.00 10.11 H new ATOM 0 HE22 GLN A 107 1.192 -12.989 -17.309 1.00 10.11 H new ATOM 1643 N SER A 108 0.015 -10.252 -22.318 1.00 2.15 N ATOM 1644 CA SER A 108 -0.720 -10.402 -23.568 1.00 44.52 C ATOM 1645 C SER A 108 -1.874 -9.407 -23.642 1.00 73.21 C ATOM 1646 O SER A 108 -2.194 -8.891 -24.711 1.00 41.45 O ATOM 1647 CB SER A 108 -1.252 -11.829 -23.704 1.00 23.51 C ATOM 1648 OG SER A 108 -1.241 -12.251 -25.057 1.00 30.33 O ATOM 0 H SER A 108 -0.527 -10.468 -21.482 1.00 2.15 H new ATOM 0 HA SER A 108 -0.034 -10.198 -24.391 1.00 44.52 H new ATOM 0 HB2 SER A 108 -0.644 -12.506 -23.104 1.00 23.51 H new ATOM 0 HB3 SER A 108 -2.268 -11.881 -23.312 1.00 23.51 H new ATOM 0 HG SER A 108 -1.584 -13.167 -25.117 1.00 30.33 H new TER 1654 SER A 108 HETATM 1655 CA CA A 109 -14.012 -9.146 -4.697 1.00 64.14 CA HETATM 1656 CA CA A 110 -14.294 -12.662 -14.959 1.00 11.24 CA