USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=26 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 -81:sc= 0.0983 USER MOD Set 1.2: A 107 GLN : amide:sc= -1.55 K(o=-1.5,f=-2) USER MOD Single : A 1 SER N :NH3+ -118:sc= 1.12 (180deg=-0.226) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.55 USER MOD Single : A 7 SER OG : rot 180:sc= -0.639 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -116:sc= 0.0626 USER MOD Single : A 19 GLN : amide:sc= -0.0406 X(o=-0.041,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0159) USER MOD Single : A 31 GLN : amide:sc= 0.588 K(o=0.59,f=-0.45) USER MOD Single : A 33 SER OG : rot 153:sc= -3.52! USER MOD Single : A 35 MET CE :methyl 136:sc= -0.441 (180deg=-1.8) USER MOD Single : A 36 SER OG : rot 144:sc= 1.04 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= -1.63 K(o=-1.6,f=-0.48) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= -0.0446 (180deg=-1.03) USER MOD Single : A 52 ASN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.0282 K(o=0.028,f=-0.95) USER MOD Single : A 55 SER OG : rot 180:sc= -0.763 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= -1.01 K(o=-1,f=-2.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0292 USER MOD Single : A 80 SER OG : rot -36:sc= 0.0817 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 83 LYS NZ :NH3+ -149:sc= -0.215 (180deg=-1.35!) USER MOD Single : A 84 THR OG1 : rot 91:sc= 0.477 USER MOD Single : A 91 HIS : no HD1:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -3.43 X(o=-3.4,f=-3!) USER MOD Single : A 105 MET CE :methyl -126:sc= -3.58 (180deg=-7.23!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.328 0.028 -2.142 1.00 15.12 N ATOM 2 CA SER A 1 1.602 -0.039 -2.846 1.00 65.33 C ATOM 3 C SER A 1 2.194 -1.443 -2.766 1.00 21.34 C ATOM 4 O SER A 1 2.749 -1.838 -1.739 1.00 43.13 O ATOM 5 CB SER A 1 2.587 0.975 -2.261 1.00 53.53 C ATOM 6 OG SER A 1 2.018 2.273 -2.222 1.00 62.00 O ATOM 0 H1 SER A 1 -0.427 0.273 -2.814 1.00 15.12 H new ATOM 0 H2 SER A 1 0.121 -0.895 -1.710 1.00 15.12 H new ATOM 0 H3 SER A 1 0.380 0.754 -1.399 1.00 15.12 H new ATOM 0 HA SER A 1 1.422 0.202 -3.894 1.00 65.33 H new ATOM 0 HB2 SER A 1 2.874 0.670 -1.255 1.00 53.53 H new ATOM 0 HB3 SER A 1 3.497 0.991 -2.861 1.00 53.53 H new ATOM 0 HG SER A 1 2.666 2.903 -1.843 1.00 62.00 H new ATOM 12 N LEU A 2 2.071 -2.193 -3.855 1.00 63.41 N ATOM 13 CA LEU A 2 2.594 -3.554 -3.910 1.00 35.53 C ATOM 14 C LEU A 2 4.047 -3.599 -3.449 1.00 41.14 C ATOM 15 O LEU A 2 4.374 -4.236 -2.448 1.00 32.25 O ATOM 16 CB LEU A 2 2.479 -4.109 -5.331 1.00 4.12 C ATOM 17 CG LEU A 2 1.138 -3.889 -6.031 1.00 70.52 C ATOM 18 CD1 LEU A 2 0.013 -3.792 -5.012 1.00 63.31 C ATOM 19 CD2 LEU A 2 1.186 -2.638 -6.896 1.00 22.21 C ATOM 0 H LEU A 2 1.614 -1.882 -4.712 1.00 63.41 H new ATOM 0 HA LEU A 2 2.000 -4.172 -3.237 1.00 35.53 H new ATOM 0 HB2 LEU A 2 3.262 -3.658 -5.940 1.00 4.12 H new ATOM 0 HB3 LEU A 2 2.678 -5.180 -5.298 1.00 4.12 H new ATOM 0 HG LEU A 2 0.943 -4.745 -6.677 1.00 70.52 H new ATOM 0 HD11 LEU A 2 -0.934 -3.635 -5.529 1.00 63.31 H new ATOM 0 HD12 LEU A 2 -0.037 -4.716 -4.436 1.00 63.31 H new ATOM 0 HD13 LEU A 2 0.202 -2.955 -4.340 1.00 63.31 H new ATOM 0 HD21 LEU A 2 0.223 -2.498 -7.386 1.00 22.21 H new ATOM 0 HD22 LEU A 2 1.405 -1.772 -6.271 1.00 22.21 H new ATOM 0 HD23 LEU A 2 1.965 -2.747 -7.651 1.00 22.21 H new ATOM 31 N THR A 3 4.917 -2.916 -4.187 1.00 2.22 N ATOM 32 CA THR A 3 6.336 -2.876 -3.854 1.00 74.14 C ATOM 33 C THR A 3 6.910 -4.282 -3.726 1.00 32.41 C ATOM 34 O THR A 3 7.933 -4.488 -3.073 1.00 31.13 O ATOM 35 CB THR A 3 6.584 -2.111 -2.541 1.00 15.32 C ATOM 36 OG1 THR A 3 5.337 -1.837 -1.890 1.00 65.54 O ATOM 37 CG2 THR A 3 7.320 -0.806 -2.805 1.00 60.25 C ATOM 0 H THR A 3 4.664 -2.383 -5.019 1.00 2.22 H new ATOM 0 HA THR A 3 6.837 -2.354 -4.669 1.00 74.14 H new ATOM 0 HB THR A 3 7.202 -2.734 -1.895 1.00 15.32 H new ATOM 0 HG1 THR A 3 5.504 -1.352 -1.055 1.00 65.54 H new ATOM 0 HG21 THR A 3 7.484 -0.283 -1.863 1.00 60.25 H new ATOM 0 HG22 THR A 3 8.281 -1.019 -3.274 1.00 60.25 H new ATOM 0 HG23 THR A 3 6.724 -0.180 -3.468 1.00 60.25 H new ATOM 45 N ASP A 4 6.246 -5.247 -4.353 1.00 53.10 N ATOM 46 CA ASP A 4 6.692 -6.635 -4.310 1.00 54.22 C ATOM 47 C ASP A 4 6.887 -7.186 -5.719 1.00 22.41 C ATOM 48 O ASP A 4 7.338 -8.319 -5.895 1.00 44.54 O ATOM 49 CB ASP A 4 5.681 -7.494 -3.548 1.00 63.03 C ATOM 50 CG ASP A 4 6.034 -7.638 -2.081 1.00 21.11 C ATOM 51 OD1 ASP A 4 6.741 -6.755 -1.551 1.00 22.52 O ATOM 52 OD2 ASP A 4 5.602 -8.633 -1.462 1.00 63.13 O ATOM 0 H ASP A 4 5.397 -5.094 -4.897 1.00 53.10 H new ATOM 0 HA ASP A 4 7.650 -6.668 -3.790 1.00 54.22 H new ATOM 0 HB2 ASP A 4 4.690 -7.050 -3.638 1.00 63.03 H new ATOM 0 HB3 ASP A 4 5.630 -8.482 -4.005 1.00 63.03 H new ATOM 57 N ILE A 5 6.544 -6.380 -6.718 1.00 10.05 N ATOM 58 CA ILE A 5 6.682 -6.788 -8.110 1.00 40.21 C ATOM 59 C ILE A 5 7.360 -5.700 -8.937 1.00 32.32 C ATOM 60 O ILE A 5 8.187 -5.988 -9.803 1.00 21.23 O ATOM 61 CB ILE A 5 5.315 -7.118 -8.738 1.00 41.43 C ATOM 62 CG1 ILE A 5 4.559 -8.123 -7.868 1.00 35.02 C ATOM 63 CG2 ILE A 5 5.497 -7.660 -10.148 1.00 20.52 C ATOM 64 CD1 ILE A 5 3.542 -7.482 -6.948 1.00 65.25 C ATOM 0 H ILE A 5 6.168 -5.440 -6.589 1.00 10.05 H new ATOM 0 HA ILE A 5 7.301 -7.685 -8.116 1.00 40.21 H new ATOM 0 HB ILE A 5 4.727 -6.202 -8.795 1.00 41.43 H new ATOM 0 HG12 ILE A 5 4.052 -8.840 -8.513 1.00 35.02 H new ATOM 0 HG13 ILE A 5 5.276 -8.684 -7.269 1.00 35.02 H new ATOM 0 HG21 ILE A 5 4.522 -7.889 -10.579 1.00 20.52 H new ATOM 0 HG22 ILE A 5 5.999 -6.913 -10.763 1.00 20.52 H new ATOM 0 HG23 ILE A 5 6.100 -8.567 -10.114 1.00 20.52 H new ATOM 0 HD11 ILE A 5 3.044 -8.254 -6.361 1.00 65.25 H new ATOM 0 HD12 ILE A 5 4.046 -6.785 -6.278 1.00 65.25 H new ATOM 0 HD13 ILE A 5 2.803 -6.944 -7.541 1.00 65.25 H new ATOM 76 N LEU A 6 7.005 -4.450 -8.663 1.00 43.31 N ATOM 77 CA LEU A 6 7.581 -3.317 -9.380 1.00 73.12 C ATOM 78 C LEU A 6 8.066 -2.247 -8.408 1.00 1.30 C ATOM 79 O LEU A 6 7.621 -2.188 -7.262 1.00 4.43 O ATOM 80 CB LEU A 6 6.551 -2.720 -10.341 1.00 71.21 C ATOM 81 CG LEU A 6 6.261 -3.533 -11.604 1.00 12.25 C ATOM 82 CD1 LEU A 6 4.800 -3.395 -12.003 1.00 32.32 C ATOM 83 CD2 LEU A 6 7.170 -3.093 -12.742 1.00 23.04 C ATOM 0 H LEU A 6 6.322 -4.195 -7.950 1.00 43.31 H new ATOM 0 HA LEU A 6 8.437 -3.677 -9.951 1.00 73.12 H new ATOM 0 HB2 LEU A 6 5.615 -2.582 -9.799 1.00 71.21 H new ATOM 0 HB3 LEU A 6 6.895 -1.730 -10.641 1.00 71.21 H new ATOM 0 HG LEU A 6 6.461 -4.583 -11.391 1.00 12.25 H new ATOM 0 HD11 LEU A 6 4.612 -3.980 -12.903 1.00 32.32 H new ATOM 0 HD12 LEU A 6 4.166 -3.759 -11.195 1.00 32.32 H new ATOM 0 HD13 LEU A 6 4.573 -2.347 -12.197 1.00 32.32 H new ATOM 0 HD21 LEU A 6 6.950 -3.682 -13.632 1.00 23.04 H new ATOM 0 HD22 LEU A 6 7.002 -2.037 -12.955 1.00 23.04 H new ATOM 0 HD23 LEU A 6 8.211 -3.244 -12.456 1.00 23.04 H new ATOM 95 N SER A 7 8.979 -1.401 -8.874 1.00 65.24 N ATOM 96 CA SER A 7 9.527 -0.333 -8.046 1.00 34.43 C ATOM 97 C SER A 7 8.530 0.814 -7.909 1.00 72.55 C ATOM 98 O SER A 7 7.601 0.960 -8.704 1.00 34.02 O ATOM 99 CB SER A 7 10.837 0.183 -8.642 1.00 43.22 C ATOM 100 OG SER A 7 11.917 -0.008 -7.744 1.00 73.12 O ATOM 0 H SER A 7 9.355 -1.435 -9.822 1.00 65.24 H new ATOM 0 HA SER A 7 9.724 -0.741 -7.054 1.00 34.43 H new ATOM 0 HB2 SER A 7 11.043 -0.335 -9.579 1.00 43.22 H new ATOM 0 HB3 SER A 7 10.740 1.243 -8.879 1.00 43.22 H new ATOM 0 HG SER A 7 12.743 0.329 -8.150 1.00 73.12 H new ATOM 106 N PRO A 8 8.726 1.648 -6.878 1.00 22.44 N ATOM 107 CA PRO A 8 7.856 2.797 -6.612 1.00 32.11 C ATOM 108 C PRO A 8 8.012 3.896 -7.657 1.00 51.21 C ATOM 109 O PRO A 8 7.026 4.387 -8.207 1.00 3.40 O ATOM 110 CB PRO A 8 8.328 3.290 -5.242 1.00 43.41 C ATOM 111 CG PRO A 8 9.744 2.836 -5.143 1.00 54.02 C ATOM 112 CD PRO A 8 9.814 1.533 -5.891 1.00 55.41 C ATOM 0 HA PRO A 8 6.801 2.525 -6.642 1.00 32.11 H new ATOM 0 HB2 PRO A 8 8.254 4.375 -5.164 1.00 43.41 H new ATOM 0 HB3 PRO A 8 7.721 2.871 -4.440 1.00 43.41 H new ATOM 0 HG2 PRO A 8 10.421 3.572 -5.577 1.00 54.02 H new ATOM 0 HG3 PRO A 8 10.040 2.705 -4.102 1.00 54.02 H new ATOM 0 HD2 PRO A 8 10.782 1.398 -6.374 1.00 55.41 H new ATOM 0 HD3 PRO A 8 9.667 0.680 -5.228 1.00 55.41 H new ATOM 120 N SER A 9 9.256 4.278 -7.927 1.00 23.51 N ATOM 121 CA SER A 9 9.541 5.322 -8.904 1.00 71.43 C ATOM 122 C SER A 9 8.873 5.012 -10.240 1.00 74.23 C ATOM 123 O SER A 9 8.243 5.878 -10.848 1.00 2.12 O ATOM 124 CB SER A 9 11.051 5.470 -9.099 1.00 22.43 C ATOM 125 OG SER A 9 11.676 4.204 -9.220 1.00 22.40 O ATOM 0 H SER A 9 10.083 3.880 -7.482 1.00 23.51 H new ATOM 0 HA SER A 9 9.137 6.260 -8.524 1.00 71.43 H new ATOM 0 HB2 SER A 9 11.249 6.064 -9.991 1.00 22.43 H new ATOM 0 HB3 SER A 9 11.479 6.011 -8.255 1.00 22.43 H new ATOM 0 HG SER A 9 12.640 4.326 -9.345 1.00 22.40 H new ATOM 131 N ASP A 10 9.015 3.770 -10.692 1.00 15.44 N ATOM 132 CA ASP A 10 8.424 3.344 -11.955 1.00 43.12 C ATOM 133 C ASP A 10 6.911 3.532 -11.939 1.00 14.51 C ATOM 134 O ASP A 10 6.305 3.856 -12.961 1.00 33.30 O ATOM 135 CB ASP A 10 8.765 1.879 -12.233 1.00 45.34 C ATOM 136 CG ASP A 10 10.240 1.672 -12.517 1.00 3.13 C ATOM 137 OD1 ASP A 10 10.686 2.024 -13.629 1.00 35.40 O ATOM 138 OD2 ASP A 10 10.949 1.158 -11.626 1.00 63.43 O ATOM 0 H ASP A 10 9.534 3.041 -10.202 1.00 15.44 H new ATOM 0 HA ASP A 10 8.840 3.964 -12.749 1.00 43.12 H new ATOM 0 HB2 ASP A 10 8.474 1.272 -11.375 1.00 45.34 H new ATOM 0 HB3 ASP A 10 8.181 1.528 -13.084 1.00 45.34 H new ATOM 143 N ILE A 11 6.307 3.327 -10.773 1.00 55.44 N ATOM 144 CA ILE A 11 4.864 3.475 -10.625 1.00 20.33 C ATOM 145 C ILE A 11 4.465 4.945 -10.567 1.00 12.31 C ATOM 146 O ILE A 11 3.580 5.388 -11.299 1.00 31.14 O ATOM 147 CB ILE A 11 4.353 2.765 -9.357 1.00 4.53 C ATOM 148 CG1 ILE A 11 4.560 1.254 -9.473 1.00 71.12 C ATOM 149 CG2 ILE A 11 2.885 3.089 -9.124 1.00 60.40 C ATOM 150 CD1 ILE A 11 4.785 0.570 -8.143 1.00 11.44 C ATOM 0 H ILE A 11 6.794 3.058 -9.918 1.00 55.44 H new ATOM 0 HA ILE A 11 4.408 3.012 -11.500 1.00 20.33 H new ATOM 0 HB ILE A 11 4.924 3.125 -8.501 1.00 4.53 H new ATOM 0 HG12 ILE A 11 3.689 0.812 -9.956 1.00 71.12 H new ATOM 0 HG13 ILE A 11 5.415 1.062 -10.120 1.00 71.12 H new ATOM 0 HG21 ILE A 11 2.538 2.580 -8.225 1.00 60.40 H new ATOM 0 HG22 ILE A 11 2.765 4.165 -9.001 1.00 60.40 H new ATOM 0 HG23 ILE A 11 2.298 2.754 -9.979 1.00 60.40 H new ATOM 0 HD11 ILE A 11 4.924 -0.499 -8.303 1.00 11.44 H new ATOM 0 HD12 ILE A 11 5.673 0.984 -7.666 1.00 11.44 H new ATOM 0 HD13 ILE A 11 3.920 0.731 -7.500 1.00 11.44 H new ATOM 162 N ALA A 12 5.125 5.698 -9.693 1.00 11.01 N ATOM 163 CA ALA A 12 4.842 7.120 -9.542 1.00 72.11 C ATOM 164 C ALA A 12 4.978 7.851 -10.873 1.00 71.04 C ATOM 165 O ALA A 12 4.377 8.905 -11.077 1.00 42.54 O ATOM 166 CB ALA A 12 5.767 7.735 -8.503 1.00 4.01 C ATOM 0 H ALA A 12 5.860 5.347 -9.079 1.00 11.01 H new ATOM 0 HA ALA A 12 3.812 7.226 -9.203 1.00 72.11 H new ATOM 0 HB1 ALA A 12 5.544 8.797 -8.401 1.00 4.01 H new ATOM 0 HB2 ALA A 12 5.618 7.239 -7.544 1.00 4.01 H new ATOM 0 HB3 ALA A 12 6.803 7.610 -8.819 1.00 4.01 H new ATOM 172 N ALA A 13 5.772 7.284 -11.776 1.00 12.20 N ATOM 173 CA ALA A 13 5.985 7.882 -13.088 1.00 64.21 C ATOM 174 C ALA A 13 4.808 7.603 -14.016 1.00 42.35 C ATOM 175 O ALA A 13 4.585 8.328 -14.986 1.00 63.51 O ATOM 176 CB ALA A 13 7.278 7.362 -13.701 1.00 14.13 C ATOM 0 H ALA A 13 6.278 6.412 -11.623 1.00 12.20 H new ATOM 0 HA ALA A 13 6.065 8.961 -12.960 1.00 64.21 H new ATOM 0 HB1 ALA A 13 7.425 7.817 -14.681 1.00 14.13 H new ATOM 0 HB2 ALA A 13 8.116 7.618 -13.053 1.00 14.13 H new ATOM 0 HB3 ALA A 13 7.220 6.279 -13.809 1.00 14.13 H new ATOM 182 N ALA A 14 4.058 6.549 -13.713 1.00 61.13 N ATOM 183 CA ALA A 14 2.903 6.176 -14.520 1.00 71.11 C ATOM 184 C ALA A 14 1.625 6.803 -13.973 1.00 3.41 C ATOM 185 O ALA A 14 0.816 7.346 -14.726 1.00 52.03 O ATOM 186 CB ALA A 14 2.766 4.662 -14.578 1.00 65.42 C ATOM 0 H ALA A 14 4.230 5.938 -12.914 1.00 61.13 H new ATOM 0 HA ALA A 14 3.060 6.555 -15.530 1.00 71.11 H new ATOM 0 HB1 ALA A 14 1.899 4.398 -15.184 1.00 65.42 H new ATOM 0 HB2 ALA A 14 3.664 4.232 -15.022 1.00 65.42 H new ATOM 0 HB3 ALA A 14 2.637 4.269 -13.569 1.00 65.42 H new ATOM 192 N LEU A 15 1.450 6.726 -12.658 1.00 74.45 N ATOM 193 CA LEU A 15 0.269 7.286 -12.010 1.00 21.21 C ATOM 194 C LEU A 15 0.101 8.760 -12.364 1.00 23.12 C ATOM 195 O LEU A 15 -0.973 9.189 -12.785 1.00 71.11 O ATOM 196 CB LEU A 15 0.371 7.122 -10.492 1.00 52.33 C ATOM 197 CG LEU A 15 0.110 5.717 -9.950 1.00 21.33 C ATOM 198 CD1 LEU A 15 0.231 5.699 -8.434 1.00 25.31 C ATOM 199 CD2 LEU A 15 -1.263 5.224 -10.383 1.00 11.25 C ATOM 0 H LEU A 15 2.110 6.282 -12.020 1.00 74.45 H new ATOM 0 HA LEU A 15 -0.605 6.744 -12.370 1.00 21.21 H new ATOM 0 HB2 LEU A 15 1.369 7.431 -10.180 1.00 52.33 H new ATOM 0 HB3 LEU A 15 -0.336 7.807 -10.024 1.00 52.33 H new ATOM 0 HG LEU A 15 0.862 5.044 -10.362 1.00 21.33 H new ATOM 0 HD11 LEU A 15 0.042 4.691 -8.066 1.00 25.31 H new ATOM 0 HD12 LEU A 15 1.236 6.008 -8.145 1.00 25.31 H new ATOM 0 HD13 LEU A 15 -0.498 6.385 -8.003 1.00 25.31 H new ATOM 0 HD21 LEU A 15 -1.431 4.222 -9.988 1.00 11.25 H new ATOM 0 HD22 LEU A 15 -2.029 5.898 -10.000 1.00 11.25 H new ATOM 0 HD23 LEU A 15 -1.314 5.198 -11.472 1.00 11.25 H new ATOM 211 N ARG A 16 1.171 9.530 -12.192 1.00 33.11 N ATOM 212 CA ARG A 16 1.142 10.956 -12.494 1.00 60.11 C ATOM 213 C ARG A 16 1.087 11.191 -14.001 1.00 11.32 C ATOM 214 O ARG A 16 0.500 12.169 -14.465 1.00 73.53 O ATOM 215 CB ARG A 16 2.371 11.649 -11.904 1.00 24.14 C ATOM 216 CG ARG A 16 2.639 11.282 -10.453 1.00 65.22 C ATOM 217 CD ARG A 16 3.979 11.823 -9.980 1.00 44.41 C ATOM 218 NE ARG A 16 3.831 12.752 -8.863 1.00 33.13 N ATOM 219 CZ ARG A 16 3.515 14.034 -9.009 1.00 64.04 C ATOM 220 NH1 ARG A 16 3.316 14.537 -10.220 1.00 23.30 N ATOM 221 NH2 ARG A 16 3.398 14.816 -7.944 1.00 23.22 N ATOM 0 H ARG A 16 2.068 9.190 -11.845 1.00 33.11 H new ATOM 0 HA ARG A 16 0.244 11.379 -12.044 1.00 60.11 H new ATOM 0 HB2 ARG A 16 3.245 11.392 -12.502 1.00 24.14 H new ATOM 0 HB3 ARG A 16 2.240 12.729 -11.979 1.00 24.14 H new ATOM 0 HG2 ARG A 16 1.843 11.678 -9.823 1.00 65.22 H new ATOM 0 HG3 ARG A 16 2.623 10.198 -10.342 1.00 65.22 H new ATOM 0 HD2 ARG A 16 4.619 10.994 -9.679 1.00 44.41 H new ATOM 0 HD3 ARG A 16 4.479 12.327 -10.807 1.00 44.41 H new ATOM 0 HE ARG A 16 3.978 12.397 -7.918 1.00 33.13 H new ATOM 0 HH11 ARG A 16 3.405 13.939 -11.042 1.00 23.30 H new ATOM 0 HH12 ARG A 16 3.073 15.522 -10.330 1.00 23.30 H new ATOM 0 HH21 ARG A 16 3.551 14.433 -7.011 1.00 23.22 H new ATOM 0 HH22 ARG A 16 3.155 15.800 -8.058 1.00 23.22 H new ATOM 235 N ASP A 17 1.702 10.290 -14.758 1.00 24.11 N ATOM 236 CA ASP A 17 1.723 10.399 -16.212 1.00 62.30 C ATOM 237 C ASP A 17 0.309 10.541 -16.767 1.00 2.04 C ATOM 238 O ASP A 17 0.072 11.311 -17.698 1.00 72.33 O ATOM 239 CB ASP A 17 2.405 9.175 -16.827 1.00 14.23 C ATOM 240 CG ASP A 17 2.059 8.995 -18.292 1.00 35.44 C ATOM 241 OD1 ASP A 17 2.077 9.999 -19.033 1.00 62.23 O ATOM 242 OD2 ASP A 17 1.768 7.849 -18.696 1.00 41.12 O ATOM 0 H ASP A 17 2.193 9.476 -14.389 1.00 24.11 H new ATOM 0 HA ASP A 17 2.289 11.292 -16.476 1.00 62.30 H new ATOM 0 HB2 ASP A 17 3.485 9.273 -16.721 1.00 14.23 H new ATOM 0 HB3 ASP A 17 2.110 8.283 -16.275 1.00 14.23 H new ATOM 247 N CYS A 18 -0.625 9.794 -16.189 1.00 11.11 N ATOM 248 CA CYS A 18 -2.016 9.836 -16.627 1.00 21.53 C ATOM 249 C CYS A 18 -2.963 9.792 -15.432 1.00 53.02 C ATOM 250 O CYS A 18 -3.946 9.052 -15.435 1.00 74.20 O ATOM 251 CB CYS A 18 -2.310 8.668 -17.570 1.00 15.05 C ATOM 252 SG CYS A 18 -1.679 8.897 -19.248 1.00 43.21 S ATOM 0 H CYS A 18 -0.445 9.152 -15.417 1.00 11.11 H new ATOM 0 HA CYS A 18 -2.176 10.773 -17.160 1.00 21.53 H new ATOM 0 HB2 CYS A 18 -1.877 7.759 -17.151 1.00 15.05 H new ATOM 0 HB3 CYS A 18 -3.388 8.515 -17.617 1.00 15.05 H new ATOM 0 HG CYS A 18 -2.674 8.941 -20.084 1.00 43.21 H new ATOM 258 N GLN A 19 -2.659 10.589 -14.413 1.00 31.21 N ATOM 259 CA GLN A 19 -3.483 10.639 -13.211 1.00 22.12 C ATOM 260 C GLN A 19 -4.875 11.177 -13.527 1.00 24.24 C ATOM 261 O GLN A 19 -5.860 10.776 -12.909 1.00 34.41 O ATOM 262 CB GLN A 19 -2.816 11.511 -12.146 1.00 24.02 C ATOM 263 CG GLN A 19 -2.346 12.858 -12.670 1.00 5.42 C ATOM 264 CD GLN A 19 -2.141 13.875 -11.564 1.00 53.53 C ATOM 265 OE1 GLN A 19 -2.801 14.915 -11.532 1.00 22.23 O ATOM 266 NE2 GLN A 19 -1.224 13.581 -10.650 1.00 71.24 N ATOM 0 H GLN A 19 -1.849 11.209 -14.396 1.00 31.21 H new ATOM 0 HA GLN A 19 -3.584 9.624 -12.828 1.00 22.12 H new ATOM 0 HB2 GLN A 19 -3.519 11.673 -11.329 1.00 24.02 H new ATOM 0 HB3 GLN A 19 -1.963 10.974 -11.731 1.00 24.02 H new ATOM 0 HG2 GLN A 19 -1.411 12.726 -13.215 1.00 5.42 H new ATOM 0 HG3 GLN A 19 -3.077 13.242 -13.381 1.00 5.42 H new ATOM 0 HE21 GLN A 19 -0.700 12.708 -10.715 1.00 71.24 H new ATOM 0 HE22 GLN A 19 -1.043 14.228 -9.883 1.00 71.24 H new ATOM 275 N ALA A 20 -4.947 12.087 -14.492 1.00 4.41 N ATOM 276 CA ALA A 20 -6.218 12.679 -14.891 1.00 23.14 C ATOM 277 C ALA A 20 -7.262 11.602 -15.165 1.00 14.34 C ATOM 278 O ALA A 20 -6.951 10.505 -15.629 1.00 53.41 O ATOM 279 CB ALA A 20 -6.029 13.558 -16.118 1.00 3.10 C ATOM 0 H ALA A 20 -4.140 12.431 -15.012 1.00 4.41 H new ATOM 0 HA ALA A 20 -6.578 13.296 -14.068 1.00 23.14 H new ATOM 0 HB1 ALA A 20 -6.986 13.993 -16.405 1.00 3.10 H new ATOM 0 HB2 ALA A 20 -5.322 14.355 -15.889 1.00 3.10 H new ATOM 0 HB3 ALA A 20 -5.643 12.956 -16.941 1.00 3.10 H new ATOM 285 N PRO A 21 -8.532 11.920 -14.870 1.00 62.02 N ATOM 286 CA PRO A 21 -9.648 10.993 -15.077 1.00 32.43 C ATOM 287 C PRO A 21 -9.945 10.763 -16.555 1.00 32.24 C ATOM 288 O PRO A 21 -9.880 11.690 -17.362 1.00 61.10 O ATOM 289 CB PRO A 21 -10.825 11.698 -14.398 1.00 72.40 C ATOM 290 CG PRO A 21 -10.473 13.145 -14.435 1.00 63.44 C ATOM 291 CD PRO A 21 -8.975 13.209 -14.314 1.00 13.23 C ATOM 0 HA PRO A 21 -9.436 10.003 -14.673 1.00 32.43 H new ATOM 0 HB2 PRO A 21 -11.759 11.504 -14.925 1.00 72.40 H new ATOM 0 HB3 PRO A 21 -10.958 11.349 -13.374 1.00 72.40 H new ATOM 0 HG2 PRO A 21 -10.810 13.605 -15.364 1.00 63.44 H new ATOM 0 HG3 PRO A 21 -10.954 13.685 -13.619 1.00 63.44 H new ATOM 0 HD2 PRO A 21 -8.563 14.050 -14.871 1.00 13.23 H new ATOM 0 HD3 PRO A 21 -8.660 13.329 -13.277 1.00 13.23 H new ATOM 299 N ASP A 22 -10.272 9.523 -16.902 1.00 22.13 N ATOM 300 CA ASP A 22 -10.581 9.172 -18.283 1.00 64.30 C ATOM 301 C ASP A 22 -9.388 9.449 -19.194 1.00 34.44 C ATOM 302 O ASP A 22 -9.535 9.546 -20.412 1.00 24.10 O ATOM 303 CB ASP A 22 -11.802 9.953 -18.769 1.00 50.35 C ATOM 304 CG ASP A 22 -12.449 9.319 -19.985 1.00 31.43 C ATOM 305 OD1 ASP A 22 -11.908 8.312 -20.487 1.00 23.33 O ATOM 306 OD2 ASP A 22 -13.497 9.829 -20.434 1.00 44.23 O ATOM 0 H ASP A 22 -10.330 8.744 -16.246 1.00 22.13 H new ATOM 0 HA ASP A 22 -10.804 8.106 -18.320 1.00 64.30 H new ATOM 0 HB2 ASP A 22 -12.533 10.016 -17.963 1.00 50.35 H new ATOM 0 HB3 ASP A 22 -11.504 10.974 -19.010 1.00 50.35 H new ATOM 311 N SER A 23 -8.209 9.575 -18.594 1.00 0.41 N ATOM 312 CA SER A 23 -6.992 9.846 -19.350 1.00 40.02 C ATOM 313 C SER A 23 -5.968 8.734 -19.148 1.00 22.44 C ATOM 314 O SER A 23 -4.779 8.912 -19.414 1.00 10.43 O ATOM 315 CB SER A 23 -6.393 11.189 -18.929 1.00 42.32 C ATOM 316 OG SER A 23 -6.816 12.230 -19.793 1.00 73.21 O ATOM 0 H SER A 23 -8.071 9.494 -17.587 1.00 0.41 H new ATOM 0 HA SER A 23 -7.253 9.888 -20.408 1.00 40.02 H new ATOM 0 HB2 SER A 23 -6.690 11.418 -17.906 1.00 42.32 H new ATOM 0 HB3 SER A 23 -5.305 11.124 -18.938 1.00 42.32 H new ATOM 0 HG SER A 23 -6.421 13.078 -19.501 1.00 73.21 H new ATOM 322 N PHE A 24 -6.438 7.584 -18.675 1.00 2.25 N ATOM 323 CA PHE A 24 -5.564 6.442 -18.435 1.00 20.44 C ATOM 324 C PHE A 24 -6.130 5.179 -19.078 1.00 13.20 C ATOM 325 O PHE A 24 -7.310 5.121 -19.423 1.00 54.44 O ATOM 326 CB PHE A 24 -5.377 6.222 -16.932 1.00 12.11 C ATOM 327 CG PHE A 24 -4.198 5.356 -16.595 1.00 25.32 C ATOM 328 CD1 PHE A 24 -3.020 5.454 -17.318 1.00 4.45 C ATOM 329 CD2 PHE A 24 -4.267 4.442 -15.555 1.00 42.23 C ATOM 330 CE1 PHE A 24 -1.932 4.659 -17.010 1.00 20.14 C ATOM 331 CE2 PHE A 24 -3.182 3.644 -15.243 1.00 15.45 C ATOM 332 CZ PHE A 24 -2.014 3.752 -15.971 1.00 71.03 C ATOM 0 H PHE A 24 -7.419 7.419 -18.450 1.00 2.25 H new ATOM 0 HA PHE A 24 -4.596 6.657 -18.887 1.00 20.44 H new ATOM 0 HB2 PHE A 24 -5.259 7.189 -16.443 1.00 12.11 H new ATOM 0 HB3 PHE A 24 -6.280 5.767 -16.524 1.00 12.11 H new ATOM 0 HD1 PHE A 24 -2.951 6.160 -18.132 1.00 4.45 H new ATOM 0 HD2 PHE A 24 -5.178 4.352 -14.982 1.00 42.23 H new ATOM 0 HE1 PHE A 24 -1.019 4.747 -17.581 1.00 20.14 H new ATOM 0 HE2 PHE A 24 -3.248 2.936 -14.430 1.00 15.45 H new ATOM 0 HZ PHE A 24 -1.166 3.129 -15.729 1.00 71.03 H new ATOM 342 N SER A 25 -5.280 4.170 -19.236 1.00 43.10 N ATOM 343 CA SER A 25 -5.693 2.910 -19.842 1.00 31.33 C ATOM 344 C SER A 25 -5.083 1.724 -19.099 1.00 53.54 C ATOM 345 O SER A 25 -4.099 1.855 -18.371 1.00 13.01 O ATOM 346 CB SER A 25 -5.283 2.869 -21.315 1.00 70.11 C ATOM 347 OG SER A 25 -6.370 3.213 -22.157 1.00 30.33 O ATOM 0 H SER A 25 -4.301 4.200 -18.953 1.00 43.10 H new ATOM 0 HA SER A 25 -6.779 2.841 -19.773 1.00 31.33 H new ATOM 0 HB2 SER A 25 -4.455 3.558 -21.485 1.00 70.11 H new ATOM 0 HB3 SER A 25 -4.924 1.871 -21.568 1.00 70.11 H new ATOM 0 HG SER A 25 -6.082 3.181 -23.093 1.00 30.33 H new ATOM 353 N PRO A 26 -5.681 0.539 -19.287 1.00 71.45 N ATOM 354 CA PRO A 26 -5.214 -0.694 -18.645 1.00 55.23 C ATOM 355 C PRO A 26 -3.878 -1.169 -19.204 1.00 44.44 C ATOM 356 O PRO A 26 -3.207 -2.012 -18.608 1.00 15.20 O ATOM 357 CB PRO A 26 -6.319 -1.703 -18.970 1.00 43.00 C ATOM 358 CG PRO A 26 -6.945 -1.190 -20.220 1.00 51.25 C ATOM 359 CD PRO A 26 -6.858 0.309 -20.142 1.00 51.41 C ATOM 0 HA PRO A 26 -5.042 -0.558 -17.577 1.00 55.23 H new ATOM 0 HB2 PRO A 26 -5.912 -2.704 -19.113 1.00 43.00 H new ATOM 0 HB3 PRO A 26 -7.046 -1.768 -18.161 1.00 43.00 H new ATOM 0 HG2 PRO A 26 -6.423 -1.566 -21.100 1.00 51.25 H new ATOM 0 HG3 PRO A 26 -7.982 -1.517 -20.300 1.00 51.25 H new ATOM 0 HD2 PRO A 26 -6.732 0.756 -21.128 1.00 51.41 H new ATOM 0 HD3 PRO A 26 -7.760 0.742 -19.709 1.00 51.41 H new ATOM 367 N LYS A 27 -3.494 -0.622 -20.353 1.00 53.21 N ATOM 368 CA LYS A 27 -2.236 -0.988 -20.993 1.00 12.41 C ATOM 369 C LYS A 27 -1.233 0.159 -20.916 1.00 54.35 C ATOM 370 O LYS A 27 -0.202 0.142 -21.589 1.00 52.11 O ATOM 371 CB LYS A 27 -2.477 -1.372 -22.454 1.00 65.44 C ATOM 372 CG LYS A 27 -3.931 -1.670 -22.774 1.00 33.34 C ATOM 373 CD LYS A 27 -4.409 -2.932 -22.074 1.00 2.32 C ATOM 374 CE LYS A 27 -3.835 -4.181 -22.725 1.00 35.24 C ATOM 375 NZ LYS A 27 -4.589 -4.564 -23.951 1.00 13.34 N ATOM 0 H LYS A 27 -4.037 0.077 -20.860 1.00 53.21 H new ATOM 0 HA LYS A 27 -1.822 -1.845 -20.462 1.00 12.41 H new ATOM 0 HB2 LYS A 27 -2.132 -0.561 -23.095 1.00 65.44 H new ATOM 0 HB3 LYS A 27 -1.874 -2.248 -22.695 1.00 65.44 H new ATOM 0 HG2 LYS A 27 -4.552 -0.827 -22.470 1.00 33.34 H new ATOM 0 HG3 LYS A 27 -4.052 -1.783 -23.851 1.00 33.34 H new ATOM 0 HD2 LYS A 27 -4.117 -2.900 -21.024 1.00 2.32 H new ATOM 0 HD3 LYS A 27 -5.498 -2.974 -22.101 1.00 2.32 H new ATOM 0 HE2 LYS A 27 -2.789 -4.009 -22.980 1.00 35.24 H new ATOM 0 HE3 LYS A 27 -3.858 -5.005 -22.012 1.00 35.24 H new ATOM 0 HZ1 LYS A 27 -4.167 -5.420 -24.365 1.00 13.34 H new ATOM 0 HZ2 LYS A 27 -5.581 -4.752 -23.704 1.00 13.34 H new ATOM 0 HZ3 LYS A 27 -4.546 -3.788 -24.642 1.00 13.34 H new ATOM 389 N LYS A 28 -1.541 1.155 -20.092 1.00 34.40 N ATOM 390 CA LYS A 28 -0.666 2.309 -19.925 1.00 35.13 C ATOM 391 C LYS A 28 0.062 2.250 -18.586 1.00 63.21 C ATOM 392 O LYS A 28 0.618 3.247 -18.126 1.00 2.40 O ATOM 393 CB LYS A 28 -1.474 3.605 -20.021 1.00 12.20 C ATOM 394 CG LYS A 28 -1.775 4.030 -21.448 1.00 4.11 C ATOM 395 CD LYS A 28 -0.590 4.742 -22.079 1.00 1.31 C ATOM 396 CE LYS A 28 -0.604 6.231 -21.767 1.00 23.13 C ATOM 397 NZ LYS A 28 -1.596 6.963 -22.601 1.00 15.33 N ATOM 0 H LYS A 28 -2.391 1.186 -19.529 1.00 34.40 H new ATOM 0 HA LYS A 28 0.076 2.290 -20.723 1.00 35.13 H new ATOM 0 HB2 LYS A 28 -2.413 3.478 -19.483 1.00 12.20 H new ATOM 0 HB3 LYS A 28 -0.925 4.403 -19.521 1.00 12.20 H new ATOM 0 HG2 LYS A 28 -2.033 3.154 -22.043 1.00 4.11 H new ATOM 0 HG3 LYS A 28 -2.643 4.689 -21.457 1.00 4.11 H new ATOM 0 HD2 LYS A 28 0.337 4.301 -21.713 1.00 1.31 H new ATOM 0 HD3 LYS A 28 -0.609 4.595 -23.159 1.00 1.31 H new ATOM 0 HE2 LYS A 28 -0.837 6.379 -20.712 1.00 23.13 H new ATOM 0 HE3 LYS A 28 0.389 6.647 -21.936 1.00 23.13 H new ATOM 0 HZ1 LYS A 28 -1.504 7.985 -22.432 1.00 15.33 H new ATOM 0 HZ2 LYS A 28 -1.421 6.761 -23.606 1.00 15.33 H new ATOM 0 HZ3 LYS A 28 -2.557 6.655 -22.348 1.00 15.33 H new ATOM 411 N PHE A 29 0.057 1.074 -17.966 1.00 41.40 N ATOM 412 CA PHE A 29 0.718 0.885 -16.680 1.00 43.51 C ATOM 413 C PHE A 29 1.816 -0.169 -16.783 1.00 21.32 C ATOM 414 O PHE A 29 2.533 -0.432 -15.817 1.00 13.03 O ATOM 415 CB PHE A 29 -0.300 0.476 -15.614 1.00 72.33 C ATOM 416 CG PHE A 29 -0.129 1.202 -14.311 1.00 11.21 C ATOM 417 CD1 PHE A 29 1.135 1.524 -13.843 1.00 34.14 C ATOM 418 CD2 PHE A 29 -1.232 1.563 -13.554 1.00 30.23 C ATOM 419 CE1 PHE A 29 1.296 2.193 -12.644 1.00 34.23 C ATOM 420 CE2 PHE A 29 -1.077 2.232 -12.354 1.00 53.14 C ATOM 421 CZ PHE A 29 0.188 2.546 -11.898 1.00 40.32 C ATOM 0 H PHE A 29 -0.397 0.238 -18.333 1.00 41.40 H new ATOM 0 HA PHE A 29 1.174 1.832 -16.391 1.00 43.51 H new ATOM 0 HB2 PHE A 29 -1.305 0.660 -15.994 1.00 72.33 H new ATOM 0 HB3 PHE A 29 -0.217 -0.596 -15.437 1.00 72.33 H new ATOM 0 HD1 PHE A 29 2.004 1.249 -14.422 1.00 34.14 H new ATOM 0 HD2 PHE A 29 -2.224 1.319 -13.905 1.00 30.23 H new ATOM 0 HE1 PHE A 29 2.286 2.439 -12.291 1.00 34.23 H new ATOM 0 HE2 PHE A 29 -1.945 2.509 -11.774 1.00 53.14 H new ATOM 0 HZ PHE A 29 0.311 3.067 -10.960 1.00 40.32 H new ATOM 431 N PHE A 30 1.941 -0.771 -17.961 1.00 24.41 N ATOM 432 CA PHE A 30 2.950 -1.799 -18.191 1.00 22.02 C ATOM 433 C PHE A 30 4.128 -1.237 -18.981 1.00 63.43 C ATOM 434 O PHE A 30 5.169 -1.882 -19.105 1.00 61.31 O ATOM 435 CB PHE A 30 2.339 -2.986 -18.939 1.00 11.42 C ATOM 436 CG PHE A 30 2.377 -2.836 -20.433 1.00 30.31 C ATOM 437 CD1 PHE A 30 3.477 -3.266 -21.158 1.00 32.45 C ATOM 438 CD2 PHE A 30 1.313 -2.265 -21.113 1.00 21.44 C ATOM 439 CE1 PHE A 30 3.515 -3.131 -22.533 1.00 10.14 C ATOM 440 CE2 PHE A 30 1.345 -2.128 -22.487 1.00 44.34 C ATOM 441 CZ PHE A 30 2.448 -2.560 -23.198 1.00 41.22 C ATOM 0 H PHE A 30 1.356 -0.565 -18.771 1.00 24.41 H new ATOM 0 HA PHE A 30 3.314 -2.139 -17.221 1.00 22.02 H new ATOM 0 HB2 PHE A 30 2.872 -3.895 -18.659 1.00 11.42 H new ATOM 0 HB3 PHE A 30 1.304 -3.112 -18.621 1.00 11.42 H new ATOM 0 HD1 PHE A 30 4.315 -3.712 -20.642 1.00 32.45 H new ATOM 0 HD2 PHE A 30 0.449 -1.923 -20.562 1.00 21.44 H new ATOM 0 HE1 PHE A 30 4.378 -3.472 -23.086 1.00 10.14 H new ATOM 0 HE2 PHE A 30 0.508 -1.683 -23.005 1.00 44.34 H new ATOM 0 HZ PHE A 30 2.476 -2.451 -24.272 1.00 41.22 H new ATOM 451 N GLN A 31 3.955 -0.032 -19.514 1.00 71.21 N ATOM 452 CA GLN A 31 5.003 0.616 -20.294 1.00 31.22 C ATOM 453 C GLN A 31 5.868 1.507 -19.409 1.00 14.34 C ATOM 454 O GLN A 31 7.055 1.698 -19.675 1.00 14.33 O ATOM 455 CB GLN A 31 4.389 1.442 -21.425 1.00 41.13 C ATOM 456 CG GLN A 31 3.070 0.887 -21.938 1.00 21.32 C ATOM 457 CD GLN A 31 2.544 1.647 -23.139 1.00 41.02 C ATOM 458 OE1 GLN A 31 3.304 2.020 -24.033 1.00 52.25 O ATOM 459 NE2 GLN A 31 1.237 1.881 -23.166 1.00 62.13 N ATOM 0 H GLN A 31 3.099 0.515 -19.420 1.00 71.21 H new ATOM 0 HA GLN A 31 5.635 -0.161 -20.723 1.00 31.22 H new ATOM 0 HB2 GLN A 31 4.232 2.462 -21.075 1.00 41.13 H new ATOM 0 HB3 GLN A 31 5.098 1.494 -22.252 1.00 41.13 H new ATOM 0 HG2 GLN A 31 3.201 -0.162 -22.205 1.00 21.32 H new ATOM 0 HG3 GLN A 31 2.330 0.922 -21.138 1.00 21.32 H new ATOM 0 HE21 GLN A 31 0.644 1.553 -22.403 1.00 62.13 H new ATOM 0 HE22 GLN A 31 0.826 2.388 -23.950 1.00 62.13 H new ATOM 468 N ILE A 32 5.265 2.050 -18.356 1.00 41.42 N ATOM 469 CA ILE A 32 5.981 2.921 -17.432 1.00 12.11 C ATOM 470 C ILE A 32 6.430 2.156 -16.192 1.00 35.24 C ATOM 471 O ILE A 32 7.414 2.519 -15.548 1.00 64.54 O ATOM 472 CB ILE A 32 5.112 4.116 -16.997 1.00 41.44 C ATOM 473 CG1 ILE A 32 4.577 4.859 -18.224 1.00 22.51 C ATOM 474 CG2 ILE A 32 5.912 5.057 -16.109 1.00 43.54 C ATOM 475 CD1 ILE A 32 3.157 4.484 -18.585 1.00 70.41 C ATOM 0 H ILE A 32 4.283 1.902 -18.122 1.00 41.42 H new ATOM 0 HA ILE A 32 6.857 3.293 -17.964 1.00 12.11 H new ATOM 0 HB ILE A 32 4.264 3.740 -16.424 1.00 41.44 H new ATOM 0 HG12 ILE A 32 4.625 5.932 -18.039 1.00 22.51 H new ATOM 0 HG13 ILE A 32 5.226 4.653 -19.075 1.00 22.51 H new ATOM 0 HG21 ILE A 32 5.284 5.896 -15.810 1.00 43.54 H new ATOM 0 HG22 ILE A 32 6.249 4.521 -15.221 1.00 43.54 H new ATOM 0 HG23 ILE A 32 6.777 5.428 -16.659 1.00 43.54 H new ATOM 0 HD11 ILE A 32 2.844 5.049 -19.463 1.00 70.41 H new ATOM 0 HD12 ILE A 32 3.107 3.417 -18.802 1.00 70.41 H new ATOM 0 HD13 ILE A 32 2.496 4.716 -17.750 1.00 70.41 H new ATOM 487 N SER A 33 5.701 1.094 -15.863 1.00 22.34 N ATOM 488 CA SER A 33 6.023 0.277 -14.698 1.00 11.31 C ATOM 489 C SER A 33 6.853 -0.938 -15.099 1.00 60.21 C ATOM 490 O SER A 33 8.037 -1.030 -14.776 1.00 15.10 O ATOM 491 CB SER A 33 4.741 -0.175 -13.996 1.00 70.42 C ATOM 492 OG SER A 33 4.999 -0.549 -12.654 1.00 10.43 O ATOM 0 H SER A 33 4.884 0.779 -16.386 1.00 22.34 H new ATOM 0 HA SER A 33 6.611 0.885 -14.010 1.00 11.31 H new ATOM 0 HB2 SER A 33 4.007 0.631 -14.018 1.00 70.42 H new ATOM 0 HB3 SER A 33 4.306 -1.017 -14.534 1.00 70.42 H new ATOM 0 HG SER A 33 4.191 -0.416 -12.116 1.00 10.43 H new ATOM 498 N GLY A 34 6.222 -1.871 -15.806 1.00 41.25 N ATOM 499 CA GLY A 34 6.916 -3.069 -16.241 1.00 3.13 C ATOM 500 C GLY A 34 6.202 -4.338 -15.819 1.00 41.34 C ATOM 501 O GLY A 34 6.836 -5.367 -15.590 1.00 33.35 O ATOM 0 H GLY A 34 5.242 -1.818 -16.085 1.00 41.25 H new ATOM 0 HA2 GLY A 34 7.014 -3.055 -17.327 1.00 3.13 H new ATOM 0 HA3 GLY A 34 7.926 -3.070 -15.830 1.00 3.13 H new ATOM 505 N MET A 35 4.879 -4.264 -15.716 1.00 41.23 N ATOM 506 CA MET A 35 4.078 -5.416 -15.319 1.00 24.11 C ATOM 507 C MET A 35 4.253 -6.566 -16.306 1.00 3.12 C ATOM 508 O MET A 35 4.580 -7.687 -15.916 1.00 5.31 O ATOM 509 CB MET A 35 2.601 -5.029 -15.225 1.00 22.52 C ATOM 510 CG MET A 35 2.350 -3.788 -14.385 1.00 3.25 C ATOM 511 SD MET A 35 0.609 -3.321 -14.338 1.00 3.12 S ATOM 512 CE MET A 35 -0.118 -4.797 -13.631 1.00 73.11 C ATOM 0 H MET A 35 4.339 -3.419 -15.902 1.00 41.23 H new ATOM 0 HA MET A 35 4.422 -5.746 -14.339 1.00 24.11 H new ATOM 0 HB2 MET A 35 2.213 -4.862 -16.230 1.00 22.52 H new ATOM 0 HB3 MET A 35 2.042 -5.863 -14.802 1.00 22.52 H new ATOM 0 HG2 MET A 35 2.702 -3.965 -13.369 1.00 3.25 H new ATOM 0 HG3 MET A 35 2.934 -2.959 -14.785 1.00 3.25 H new ATOM 0 HE1 MET A 35 -0.845 -4.515 -12.869 1.00 73.11 H new ATOM 0 HE2 MET A 35 -0.616 -5.368 -14.414 1.00 73.11 H new ATOM 0 HE3 MET A 35 0.664 -5.407 -13.179 1.00 73.11 H new ATOM 522 N SER A 36 4.033 -6.281 -17.585 1.00 53.42 N ATOM 523 CA SER A 36 4.162 -7.292 -18.627 1.00 70.43 C ATOM 524 C SER A 36 5.531 -7.963 -18.567 1.00 1.14 C ATOM 525 O SER A 36 5.668 -9.150 -18.863 1.00 22.00 O ATOM 526 CB SER A 36 3.950 -6.665 -20.006 1.00 55.32 C ATOM 527 OG SER A 36 2.802 -5.833 -20.017 1.00 21.23 O ATOM 0 H SER A 36 3.764 -5.358 -17.925 1.00 53.42 H new ATOM 0 HA SER A 36 3.397 -8.050 -18.459 1.00 70.43 H new ATOM 0 HB2 SER A 36 4.828 -6.082 -20.283 1.00 55.32 H new ATOM 0 HB3 SER A 36 3.841 -7.451 -20.753 1.00 55.32 H new ATOM 0 HG SER A 36 2.965 -5.058 -20.595 1.00 21.23 H new ATOM 533 N LYS A 37 6.543 -7.193 -18.180 1.00 60.33 N ATOM 534 CA LYS A 37 7.903 -7.710 -18.079 1.00 34.34 C ATOM 535 C LYS A 37 7.994 -8.794 -17.009 1.00 0.21 C ATOM 536 O LYS A 37 8.961 -9.555 -16.962 1.00 74.15 O ATOM 537 CB LYS A 37 8.878 -6.576 -17.756 1.00 25.52 C ATOM 538 CG LYS A 37 8.669 -5.334 -18.604 1.00 65.13 C ATOM 539 CD LYS A 37 8.740 -5.654 -20.088 1.00 55.11 C ATOM 540 CE LYS A 37 9.389 -4.524 -20.872 1.00 2.33 C ATOM 541 NZ LYS A 37 9.422 -4.809 -22.333 1.00 21.31 N ATOM 0 H LYS A 37 6.447 -6.209 -17.931 1.00 60.33 H new ATOM 0 HA LYS A 37 8.172 -8.149 -19.040 1.00 34.34 H new ATOM 0 HB2 LYS A 37 8.776 -6.309 -16.704 1.00 25.52 H new ATOM 0 HB3 LYS A 37 9.898 -6.934 -17.896 1.00 25.52 H new ATOM 0 HG2 LYS A 37 7.700 -4.893 -18.372 1.00 65.13 H new ATOM 0 HG3 LYS A 37 9.426 -4.590 -18.355 1.00 65.13 H new ATOM 0 HD2 LYS A 37 9.307 -6.573 -20.236 1.00 55.11 H new ATOM 0 HD3 LYS A 37 7.735 -5.834 -20.471 1.00 55.11 H new ATOM 0 HE2 LYS A 37 8.841 -3.598 -20.695 1.00 2.33 H new ATOM 0 HE3 LYS A 37 10.405 -4.368 -20.510 1.00 2.33 H new ATOM 0 HZ1 LYS A 37 9.872 -4.015 -22.832 1.00 21.31 H new ATOM 0 HZ2 LYS A 37 9.966 -5.679 -22.505 1.00 21.31 H new ATOM 0 HZ3 LYS A 37 8.451 -4.933 -22.685 1.00 21.31 H new ATOM 555 N LYS A 38 6.981 -8.859 -16.151 1.00 63.12 N ATOM 556 CA LYS A 38 6.945 -9.851 -15.083 1.00 63.23 C ATOM 557 C LYS A 38 6.349 -11.164 -15.580 1.00 73.12 C ATOM 558 O LYS A 38 6.285 -11.411 -16.784 1.00 74.24 O ATOM 559 CB LYS A 38 6.132 -9.326 -13.898 1.00 41.52 C ATOM 560 CG LYS A 38 6.466 -7.893 -13.519 1.00 25.34 C ATOM 561 CD LYS A 38 7.881 -7.776 -12.977 1.00 1.24 C ATOM 562 CE LYS A 38 8.801 -7.077 -13.966 1.00 52.31 C ATOM 563 NZ LYS A 38 10.192 -7.602 -13.897 1.00 23.51 N ATOM 0 H LYS A 38 6.174 -8.236 -16.175 1.00 63.12 H new ATOM 0 HA LYS A 38 7.969 -10.037 -14.759 1.00 63.23 H new ATOM 0 HB2 LYS A 38 5.071 -9.392 -14.138 1.00 41.52 H new ATOM 0 HB3 LYS A 38 6.304 -9.971 -13.036 1.00 41.52 H new ATOM 0 HG2 LYS A 38 6.355 -7.249 -14.392 1.00 25.34 H new ATOM 0 HG3 LYS A 38 5.758 -7.539 -12.770 1.00 25.34 H new ATOM 0 HD2 LYS A 38 7.867 -7.223 -12.038 1.00 1.24 H new ATOM 0 HD3 LYS A 38 8.270 -8.770 -12.756 1.00 1.24 H new ATOM 0 HE2 LYS A 38 8.414 -7.207 -14.976 1.00 52.31 H new ATOM 0 HE3 LYS A 38 8.807 -6.006 -13.762 1.00 52.31 H new ATOM 0 HZ1 LYS A 38 10.787 -7.100 -14.586 1.00 23.51 H new ATOM 0 HZ2 LYS A 38 10.571 -7.455 -12.940 1.00 23.51 H new ATOM 0 HZ3 LYS A 38 10.191 -8.619 -14.117 1.00 23.51 H new ATOM 577 N SER A 39 5.912 -12.002 -14.645 1.00 62.03 N ATOM 578 CA SER A 39 5.323 -13.291 -14.989 1.00 12.23 C ATOM 579 C SER A 39 3.891 -13.389 -14.471 1.00 1.34 C ATOM 580 O SER A 39 3.510 -12.689 -13.532 1.00 73.51 O ATOM 581 CB SER A 39 6.165 -14.430 -14.412 1.00 70.51 C ATOM 582 OG SER A 39 5.811 -15.672 -14.996 1.00 63.14 O ATOM 0 H SER A 39 5.955 -11.811 -13.644 1.00 62.03 H new ATOM 0 HA SER A 39 5.305 -13.376 -16.075 1.00 12.23 H new ATOM 0 HB2 SER A 39 7.222 -14.230 -14.588 1.00 70.51 H new ATOM 0 HB3 SER A 39 6.025 -14.479 -13.332 1.00 70.51 H new ATOM 0 HG SER A 39 6.364 -16.384 -14.612 1.00 63.14 H new ATOM 588 N SER A 40 3.103 -14.262 -15.090 1.00 10.14 N ATOM 589 CA SER A 40 1.712 -14.450 -14.695 1.00 11.23 C ATOM 590 C SER A 40 1.602 -14.693 -13.193 1.00 33.14 C ATOM 591 O SER A 40 0.600 -14.344 -12.568 1.00 30.41 O ATOM 592 CB SER A 40 1.097 -15.623 -15.459 1.00 73.53 C ATOM 593 OG SER A 40 2.089 -16.349 -16.165 1.00 12.31 O ATOM 0 H SER A 40 3.404 -14.850 -15.867 1.00 10.14 H new ATOM 0 HA SER A 40 1.165 -13.540 -14.939 1.00 11.23 H new ATOM 0 HB2 SER A 40 0.584 -16.286 -14.762 1.00 73.53 H new ATOM 0 HB3 SER A 40 0.347 -15.253 -16.158 1.00 73.53 H new ATOM 0 HG SER A 40 2.295 -15.889 -17.006 1.00 12.31 H new ATOM 599 N SER A 41 2.639 -15.294 -12.619 1.00 64.01 N ATOM 600 CA SER A 41 2.659 -15.588 -11.191 1.00 60.20 C ATOM 601 C SER A 41 2.895 -14.319 -10.378 1.00 52.21 C ATOM 602 O SER A 41 2.327 -14.146 -9.300 1.00 2.00 O ATOM 603 CB SER A 41 3.745 -16.618 -10.876 1.00 23.41 C ATOM 604 OG SER A 41 3.317 -17.928 -11.207 1.00 24.12 O ATOM 0 H SER A 41 3.477 -15.587 -13.121 1.00 64.01 H new ATOM 0 HA SER A 41 1.688 -15.999 -10.916 1.00 60.20 H new ATOM 0 HB2 SER A 41 4.651 -16.377 -11.431 1.00 23.41 H new ATOM 0 HB3 SER A 41 3.998 -16.572 -9.817 1.00 23.41 H new ATOM 0 HG SER A 41 4.029 -18.568 -10.998 1.00 24.12 H new ATOM 610 N GLN A 42 3.736 -13.435 -10.904 1.00 42.41 N ATOM 611 CA GLN A 42 4.048 -12.181 -10.227 1.00 61.33 C ATOM 612 C GLN A 42 2.897 -11.190 -10.360 1.00 34.04 C ATOM 613 O GLN A 42 2.668 -10.366 -9.473 1.00 40.22 O ATOM 614 CB GLN A 42 5.329 -11.573 -10.801 1.00 0.35 C ATOM 615 CG GLN A 42 6.594 -12.051 -10.106 1.00 13.13 C ATOM 616 CD GLN A 42 7.809 -11.221 -10.470 1.00 61.30 C ATOM 617 OE1 GLN A 42 8.649 -11.646 -11.264 1.00 43.50 O ATOM 618 NE2 GLN A 42 7.909 -10.031 -9.890 1.00 40.24 N ATOM 0 H GLN A 42 4.214 -13.563 -11.796 1.00 42.41 H new ATOM 0 HA GLN A 42 4.198 -12.396 -9.169 1.00 61.33 H new ATOM 0 HB2 GLN A 42 5.393 -11.816 -11.862 1.00 0.35 H new ATOM 0 HB3 GLN A 42 5.271 -10.487 -10.726 1.00 0.35 H new ATOM 0 HG2 GLN A 42 6.446 -12.017 -9.027 1.00 13.13 H new ATOM 0 HG3 GLN A 42 6.778 -13.092 -10.370 1.00 13.13 H new ATOM 0 HE21 GLN A 42 7.189 -9.719 -9.238 1.00 40.24 H new ATOM 0 HE22 GLN A 42 8.706 -9.428 -10.096 1.00 40.24 H new ATOM 627 N LEU A 43 2.174 -11.275 -11.471 1.00 45.13 N ATOM 628 CA LEU A 43 1.046 -10.385 -11.720 1.00 52.33 C ATOM 629 C LEU A 43 -0.173 -10.810 -10.907 1.00 62.04 C ATOM 630 O LEU A 43 -1.132 -10.052 -10.763 1.00 10.20 O ATOM 631 CB LEU A 43 0.700 -10.372 -13.210 1.00 40.03 C ATOM 632 CG LEU A 43 1.861 -10.096 -14.166 1.00 51.34 C ATOM 633 CD1 LEU A 43 1.603 -10.741 -15.519 1.00 44.13 C ATOM 634 CD2 LEU A 43 2.080 -8.598 -14.321 1.00 14.31 C ATOM 0 H LEU A 43 2.349 -11.952 -12.214 1.00 45.13 H new ATOM 0 HA LEU A 43 1.333 -9.380 -11.411 1.00 52.33 H new ATOM 0 HB2 LEU A 43 0.263 -11.336 -13.470 1.00 40.03 H new ATOM 0 HB3 LEU A 43 -0.069 -9.618 -13.377 1.00 40.03 H new ATOM 0 HG LEU A 43 2.766 -10.534 -13.744 1.00 51.34 H new ATOM 0 HD11 LEU A 43 2.440 -10.534 -16.186 1.00 44.13 H new ATOM 0 HD12 LEU A 43 1.497 -11.819 -15.394 1.00 44.13 H new ATOM 0 HD13 LEU A 43 0.688 -10.333 -15.948 1.00 44.13 H new ATOM 0 HD21 LEU A 43 2.910 -8.420 -15.005 1.00 14.31 H new ATOM 0 HD22 LEU A 43 1.176 -8.138 -14.720 1.00 14.31 H new ATOM 0 HD23 LEU A 43 2.311 -8.162 -13.349 1.00 14.31 H new ATOM 646 N LYS A 44 -0.128 -12.027 -10.376 1.00 63.12 N ATOM 647 CA LYS A 44 -1.226 -12.554 -9.574 1.00 43.52 C ATOM 648 C LYS A 44 -1.317 -11.829 -8.235 1.00 34.11 C ATOM 649 O LYS A 44 -2.408 -11.493 -7.775 1.00 20.33 O ATOM 650 CB LYS A 44 -1.041 -14.055 -9.342 1.00 50.14 C ATOM 651 CG LYS A 44 -1.642 -14.918 -10.438 1.00 34.00 C ATOM 652 CD LYS A 44 -1.143 -16.351 -10.356 1.00 50.25 C ATOM 653 CE LYS A 44 -2.228 -17.342 -10.748 1.00 31.35 C ATOM 654 NZ LYS A 44 -3.259 -17.485 -9.682 1.00 62.43 N ATOM 0 H LYS A 44 0.658 -12.668 -10.487 1.00 63.12 H new ATOM 0 HA LYS A 44 -2.154 -12.389 -10.121 1.00 43.52 H new ATOM 0 HB2 LYS A 44 0.024 -14.273 -9.262 1.00 50.14 H new ATOM 0 HB3 LYS A 44 -1.494 -14.325 -8.388 1.00 50.14 H new ATOM 0 HG2 LYS A 44 -2.729 -14.905 -10.358 1.00 34.00 H new ATOM 0 HG3 LYS A 44 -1.389 -14.499 -11.412 1.00 34.00 H new ATOM 0 HD2 LYS A 44 -0.281 -16.475 -11.012 1.00 50.25 H new ATOM 0 HD3 LYS A 44 -0.805 -16.562 -9.341 1.00 50.25 H new ATOM 0 HE2 LYS A 44 -2.704 -17.013 -11.672 1.00 31.35 H new ATOM 0 HE3 LYS A 44 -1.777 -18.314 -10.950 1.00 31.35 H new ATOM 0 HZ1 LYS A 44 -4.179 -17.701 -10.116 1.00 62.43 H new ATOM 0 HZ2 LYS A 44 -2.989 -18.257 -9.039 1.00 62.43 H new ATOM 0 HZ3 LYS A 44 -3.329 -16.597 -9.146 1.00 62.43 H new ATOM 668 N GLU A 45 -0.165 -11.591 -7.616 1.00 52.20 N ATOM 669 CA GLU A 45 -0.117 -10.905 -6.330 1.00 33.41 C ATOM 670 C GLU A 45 -0.937 -9.619 -6.368 1.00 44.53 C ATOM 671 O GLU A 45 -1.728 -9.347 -5.465 1.00 21.02 O ATOM 672 CB GLU A 45 1.331 -10.590 -5.949 1.00 14.14 C ATOM 673 CG GLU A 45 2.217 -11.820 -5.855 1.00 63.24 C ATOM 674 CD GLU A 45 1.614 -12.910 -4.991 1.00 31.11 C ATOM 675 OE1 GLU A 45 1.510 -12.705 -3.764 1.00 23.44 O ATOM 676 OE2 GLU A 45 1.245 -13.968 -5.543 1.00 21.12 O ATOM 0 H GLU A 45 0.747 -11.863 -7.984 1.00 52.20 H new ATOM 0 HA GLU A 45 -0.547 -11.566 -5.578 1.00 33.41 H new ATOM 0 HB2 GLU A 45 1.751 -9.906 -6.686 1.00 14.14 H new ATOM 0 HB3 GLU A 45 1.341 -10.071 -4.990 1.00 14.14 H new ATOM 0 HG2 GLU A 45 2.395 -12.212 -6.856 1.00 63.24 H new ATOM 0 HG3 GLU A 45 3.187 -11.534 -5.448 1.00 63.24 H new ATOM 683 N ILE A 46 -0.740 -8.830 -7.420 1.00 31.32 N ATOM 684 CA ILE A 46 -1.460 -7.573 -7.577 1.00 15.15 C ATOM 685 C ILE A 46 -2.963 -7.776 -7.411 1.00 3.44 C ATOM 686 O ILE A 46 -3.630 -7.012 -6.712 1.00 42.24 O ATOM 687 CB ILE A 46 -1.189 -6.936 -8.952 1.00 64.02 C ATOM 688 CG1 ILE A 46 0.308 -6.670 -9.129 1.00 32.14 C ATOM 689 CG2 ILE A 46 -1.983 -5.647 -9.106 1.00 22.55 C ATOM 690 CD1 ILE A 46 0.816 -6.978 -10.519 1.00 44.05 C ATOM 0 H ILE A 46 -0.088 -9.040 -8.176 1.00 31.32 H new ATOM 0 HA ILE A 46 -1.097 -6.903 -6.798 1.00 15.15 H new ATOM 0 HB ILE A 46 -1.510 -7.632 -9.727 1.00 64.02 H new ATOM 0 HG12 ILE A 46 0.512 -5.624 -8.900 1.00 32.14 H new ATOM 0 HG13 ILE A 46 0.863 -7.269 -8.407 1.00 32.14 H new ATOM 0 HG21 ILE A 46 -1.780 -5.209 -10.083 1.00 22.55 H new ATOM 0 HG22 ILE A 46 -3.048 -5.863 -9.019 1.00 22.55 H new ATOM 0 HG23 ILE A 46 -1.691 -4.944 -8.326 1.00 22.55 H new ATOM 0 HD11 ILE A 46 1.884 -6.766 -10.571 1.00 44.05 H new ATOM 0 HD12 ILE A 46 0.643 -8.030 -10.745 1.00 44.05 H new ATOM 0 HD13 ILE A 46 0.287 -6.360 -11.245 1.00 44.05 H new ATOM 702 N PHE A 47 -3.489 -8.811 -8.056 1.00 33.11 N ATOM 703 CA PHE A 47 -4.913 -9.116 -7.979 1.00 53.34 C ATOM 704 C PHE A 47 -5.357 -9.279 -6.529 1.00 34.52 C ATOM 705 O PHE A 47 -6.463 -8.884 -6.158 1.00 42.24 O ATOM 706 CB PHE A 47 -5.227 -10.389 -8.768 1.00 32.14 C ATOM 707 CG PHE A 47 -6.237 -11.276 -8.097 1.00 0.33 C ATOM 708 CD1 PHE A 47 -5.837 -12.232 -7.177 1.00 43.13 C ATOM 709 CD2 PHE A 47 -7.587 -11.153 -8.386 1.00 25.42 C ATOM 710 CE1 PHE A 47 -6.763 -13.049 -6.558 1.00 34.22 C ATOM 711 CE2 PHE A 47 -8.518 -11.967 -7.769 1.00 63.52 C ATOM 712 CZ PHE A 47 -8.106 -12.917 -6.855 1.00 64.41 C ATOM 0 H PHE A 47 -2.951 -9.453 -8.638 1.00 33.11 H new ATOM 0 HA PHE A 47 -5.462 -8.282 -8.416 1.00 53.34 H new ATOM 0 HB2 PHE A 47 -5.597 -10.113 -9.756 1.00 32.14 H new ATOM 0 HB3 PHE A 47 -4.305 -10.951 -8.918 1.00 32.14 H new ATOM 0 HD1 PHE A 47 -4.789 -12.340 -6.941 1.00 43.13 H new ATOM 0 HD2 PHE A 47 -7.915 -10.413 -9.101 1.00 25.42 H new ATOM 0 HE1 PHE A 47 -6.438 -13.790 -5.843 1.00 34.22 H new ATOM 0 HE2 PHE A 47 -9.567 -11.860 -8.001 1.00 63.52 H new ATOM 0 HZ PHE A 47 -8.832 -13.555 -6.373 1.00 64.41 H new ATOM 722 N ARG A 48 -4.488 -9.866 -5.713 1.00 22.13 N ATOM 723 CA ARG A 48 -4.790 -10.084 -4.303 1.00 71.33 C ATOM 724 C ARG A 48 -4.927 -8.756 -3.565 1.00 23.24 C ATOM 725 O ARG A 48 -5.424 -8.709 -2.439 1.00 75.13 O ATOM 726 CB ARG A 48 -3.697 -10.933 -3.651 1.00 13.01 C ATOM 727 CG ARG A 48 -4.207 -12.244 -3.076 1.00 25.53 C ATOM 728 CD ARG A 48 -5.166 -12.010 -1.920 1.00 33.44 C ATOM 729 NE ARG A 48 -4.561 -12.338 -0.631 1.00 55.23 N ATOM 730 CZ ARG A 48 -5.259 -12.501 0.488 1.00 44.33 C ATOM 731 NH1 ARG A 48 -6.578 -12.368 0.476 1.00 3.21 N ATOM 732 NH2 ARG A 48 -4.636 -12.798 1.621 1.00 12.23 N ATOM 0 H ARG A 48 -3.569 -10.199 -6.004 1.00 22.13 H new ATOM 0 HA ARG A 48 -5.740 -10.615 -4.238 1.00 71.33 H new ATOM 0 HB2 ARG A 48 -2.925 -11.146 -4.390 1.00 13.01 H new ATOM 0 HB3 ARG A 48 -3.226 -10.356 -2.855 1.00 13.01 H new ATOM 0 HG2 ARG A 48 -4.710 -12.814 -3.857 1.00 25.53 H new ATOM 0 HG3 ARG A 48 -3.364 -12.845 -2.735 1.00 25.53 H new ATOM 0 HD2 ARG A 48 -5.482 -10.967 -1.917 1.00 33.44 H new ATOM 0 HD3 ARG A 48 -6.062 -12.614 -2.064 1.00 33.44 H new ATOM 0 HE ARG A 48 -3.548 -12.448 -0.588 1.00 55.23 H new ATOM 0 HH11 ARG A 48 -7.060 -12.140 -0.394 1.00 3.21 H new ATOM 0 HH12 ARG A 48 -7.111 -12.494 1.336 1.00 3.21 H new ATOM 0 HH21 ARG A 48 -3.621 -12.901 1.633 1.00 12.23 H new ATOM 0 HH22 ARG A 48 -5.172 -12.923 2.480 1.00 12.23 H new ATOM 746 N ILE A 49 -4.481 -7.680 -4.205 1.00 33.52 N ATOM 747 CA ILE A 49 -4.554 -6.352 -3.609 1.00 35.44 C ATOM 748 C ILE A 49 -5.751 -5.574 -4.146 1.00 3.03 C ATOM 749 O ILE A 49 -6.125 -4.535 -3.600 1.00 43.34 O ATOM 750 CB ILE A 49 -3.270 -5.545 -3.873 1.00 50.13 C ATOM 751 CG1 ILE A 49 -2.035 -6.402 -3.589 1.00 0.05 C ATOM 752 CG2 ILE A 49 -3.253 -4.283 -3.024 1.00 32.03 C ATOM 753 CD1 ILE A 49 -1.954 -6.888 -2.158 1.00 64.25 C ATOM 0 H ILE A 49 -4.065 -7.702 -5.136 1.00 33.52 H new ATOM 0 HA ILE A 49 -4.669 -6.494 -2.534 1.00 35.44 H new ATOM 0 HB ILE A 49 -3.252 -5.253 -4.923 1.00 50.13 H new ATOM 0 HG12 ILE A 49 -2.039 -7.263 -4.257 1.00 0.05 H new ATOM 0 HG13 ILE A 49 -1.140 -5.824 -3.819 1.00 0.05 H new ATOM 0 HG21 ILE A 49 -2.339 -3.723 -3.222 1.00 32.03 H new ATOM 0 HG22 ILE A 49 -4.117 -3.666 -3.272 1.00 32.03 H new ATOM 0 HG23 ILE A 49 -3.291 -4.554 -1.969 1.00 32.03 H new ATOM 0 HD11 ILE A 49 -1.054 -7.489 -2.028 1.00 64.25 H new ATOM 0 HD12 ILE A 49 -1.919 -6.032 -1.484 1.00 64.25 H new ATOM 0 HD13 ILE A 49 -2.831 -7.494 -1.929 1.00 64.25 H new ATOM 765 N LEU A 50 -6.349 -6.084 -5.217 1.00 3.13 N ATOM 766 CA LEU A 50 -7.505 -5.438 -5.828 1.00 12.35 C ATOM 767 C LEU A 50 -8.805 -6.023 -5.286 1.00 33.40 C ATOM 768 O LEU A 50 -9.845 -5.366 -5.297 1.00 33.43 O ATOM 769 CB LEU A 50 -7.457 -5.593 -7.348 1.00 61.55 C ATOM 770 CG LEU A 50 -6.769 -4.465 -8.117 1.00 50.23 C ATOM 771 CD1 LEU A 50 -5.342 -4.853 -8.472 1.00 1.13 C ATOM 772 CD2 LEU A 50 -7.556 -4.117 -9.372 1.00 75.12 C ATOM 0 H LEU A 50 -6.052 -6.943 -5.680 1.00 3.13 H new ATOM 0 HA LEU A 50 -7.473 -4.378 -5.577 1.00 12.35 H new ATOM 0 HB2 LEU A 50 -6.948 -6.528 -7.582 1.00 61.55 H new ATOM 0 HB3 LEU A 50 -8.479 -5.686 -7.716 1.00 61.55 H new ATOM 0 HG LEU A 50 -6.736 -3.584 -7.477 1.00 50.23 H new ATOM 0 HD11 LEU A 50 -4.869 -4.038 -9.019 1.00 1.13 H new ATOM 0 HD12 LEU A 50 -4.781 -5.051 -7.559 1.00 1.13 H new ATOM 0 HD13 LEU A 50 -5.352 -5.749 -9.093 1.00 1.13 H new ATOM 0 HD21 LEU A 50 -7.051 -3.312 -9.906 1.00 75.12 H new ATOM 0 HD22 LEU A 50 -7.622 -4.994 -10.015 1.00 75.12 H new ATOM 0 HD23 LEU A 50 -8.560 -3.795 -9.094 1.00 75.12 H new ATOM 784 N ASP A 51 -8.737 -7.263 -4.811 1.00 14.10 N ATOM 785 CA ASP A 51 -9.909 -7.937 -4.263 1.00 40.22 C ATOM 786 C ASP A 51 -10.330 -7.306 -2.940 1.00 14.43 C ATOM 787 O ASP A 51 -9.810 -7.654 -1.881 1.00 34.42 O ATOM 788 CB ASP A 51 -9.619 -9.426 -4.062 1.00 11.54 C ATOM 789 CG ASP A 51 -10.878 -10.228 -3.804 1.00 22.52 C ATOM 790 OD1 ASP A 51 -12.030 -9.579 -3.922 1.00 72.54 O ATOM 791 OD2 ASP A 51 -10.815 -11.421 -3.502 1.00 13.53 O ATOM 0 H ASP A 51 -7.883 -7.821 -4.795 1.00 14.10 H new ATOM 0 HA ASP A 51 -10.727 -7.826 -4.974 1.00 40.22 H new ATOM 0 HB2 ASP A 51 -9.116 -9.818 -4.946 1.00 11.54 H new ATOM 0 HB3 ASP A 51 -8.934 -9.550 -3.224 1.00 11.54 H new ATOM 796 N ASN A 52 -11.277 -6.375 -3.009 1.00 44.20 N ATOM 797 CA ASN A 52 -11.768 -5.695 -1.816 1.00 54.54 C ATOM 798 C ASN A 52 -12.898 -6.486 -1.166 1.00 35.45 C ATOM 799 O ASN A 52 -13.535 -6.018 -0.222 1.00 11.23 O ATOM 800 CB ASN A 52 -12.255 -4.288 -2.170 1.00 45.43 C ATOM 801 CG ASN A 52 -11.253 -3.216 -1.786 1.00 22.03 C ATOM 802 OD1 ASN A 52 -11.601 -2.229 -1.137 1.00 60.31 O ATOM 803 ND2 ASN A 52 -10.001 -3.406 -2.185 1.00 42.15 N ATOM 0 H ASN A 52 -11.719 -6.075 -3.878 1.00 44.20 H new ATOM 0 HA ASN A 52 -10.944 -5.620 -1.106 1.00 54.54 H new ATOM 0 HB2 ASN A 52 -12.450 -4.233 -3.241 1.00 45.43 H new ATOM 0 HB3 ASN A 52 -13.201 -4.096 -1.664 1.00 45.43 H new ATOM 0 HD21 ASN A 52 -9.283 -2.719 -1.955 1.00 42.15 H new ATOM 0 HD22 ASN A 52 -9.757 -4.239 -2.721 1.00 42.15 H new ATOM 810 N ASP A 53 -13.141 -7.689 -1.676 1.00 53.50 N ATOM 811 CA ASP A 53 -14.193 -8.547 -1.144 1.00 12.02 C ATOM 812 C ASP A 53 -13.625 -9.892 -0.701 1.00 51.15 C ATOM 813 O ASP A 53 -14.289 -10.656 -0.002 1.00 73.42 O ATOM 814 CB ASP A 53 -15.286 -8.761 -2.193 1.00 3.24 C ATOM 815 CG ASP A 53 -15.574 -7.506 -2.992 1.00 54.42 C ATOM 816 OD1 ASP A 53 -15.621 -6.415 -2.387 1.00 4.42 O ATOM 817 OD2 ASP A 53 -15.755 -7.614 -4.223 1.00 61.33 O ATOM 0 H ASP A 53 -12.623 -8.092 -2.457 1.00 53.50 H new ATOM 0 HA ASP A 53 -14.627 -8.052 -0.275 1.00 12.02 H new ATOM 0 HB2 ASP A 53 -14.983 -9.559 -2.871 1.00 3.24 H new ATOM 0 HB3 ASP A 53 -16.200 -9.092 -1.699 1.00 3.24 H new ATOM 822 N GLN A 54 -12.394 -10.173 -1.115 1.00 23.31 N ATOM 823 CA GLN A 54 -11.738 -11.427 -0.762 1.00 42.14 C ATOM 824 C GLN A 54 -12.520 -12.621 -1.300 1.00 52.40 C ATOM 825 O GLN A 54 -12.304 -13.757 -0.879 1.00 72.15 O ATOM 826 CB GLN A 54 -11.591 -11.541 0.756 1.00 43.50 C ATOM 827 CG GLN A 54 -11.086 -10.267 1.415 1.00 24.32 C ATOM 828 CD GLN A 54 -9.596 -10.062 1.224 1.00 62.42 C ATOM 829 OE1 GLN A 54 -8.783 -10.871 1.673 1.00 74.30 O ATOM 830 NE2 GLN A 54 -9.229 -8.976 0.554 1.00 64.33 N ATOM 0 H GLN A 54 -11.831 -9.550 -1.695 1.00 23.31 H new ATOM 0 HA GLN A 54 -10.747 -11.430 -1.217 1.00 42.14 H new ATOM 0 HB2 GLN A 54 -12.556 -11.805 1.187 1.00 43.50 H new ATOM 0 HB3 GLN A 54 -10.905 -12.356 0.986 1.00 43.50 H new ATOM 0 HG2 GLN A 54 -11.622 -9.412 1.003 1.00 24.32 H new ATOM 0 HG3 GLN A 54 -11.311 -10.300 2.481 1.00 24.32 H new ATOM 0 HE21 GLN A 54 -9.936 -8.332 0.199 1.00 64.33 H new ATOM 0 HE22 GLN A 54 -8.240 -8.786 0.394 1.00 64.33 H new ATOM 839 N SER A 55 -13.430 -12.354 -2.232 1.00 30.42 N ATOM 840 CA SER A 55 -14.248 -13.406 -2.824 1.00 61.41 C ATOM 841 C SER A 55 -13.430 -14.244 -3.803 1.00 55.42 C ATOM 842 O SER A 55 -13.606 -15.458 -3.897 1.00 15.41 O ATOM 843 CB SER A 55 -15.457 -12.800 -3.539 1.00 44.05 C ATOM 844 OG SER A 55 -15.167 -11.497 -4.016 1.00 23.23 O ATOM 0 H SER A 55 -13.619 -11.419 -2.593 1.00 30.42 H new ATOM 0 HA SER A 55 -14.598 -14.055 -2.021 1.00 61.41 H new ATOM 0 HB2 SER A 55 -15.749 -13.439 -4.372 1.00 44.05 H new ATOM 0 HB3 SER A 55 -16.305 -12.760 -2.856 1.00 44.05 H new ATOM 0 HG SER A 55 -15.955 -11.132 -4.471 1.00 23.23 H new ATOM 850 N GLY A 56 -12.535 -13.584 -4.532 1.00 24.32 N ATOM 851 CA GLY A 56 -11.703 -14.282 -5.495 1.00 20.23 C ATOM 852 C GLY A 56 -11.586 -13.535 -6.809 1.00 24.45 C ATOM 853 O GLY A 56 -10.724 -13.844 -7.632 1.00 24.14 O ATOM 0 H GLY A 56 -12.371 -12.579 -4.473 1.00 24.32 H new ATOM 0 HA2 GLY A 56 -10.708 -14.427 -5.073 1.00 20.23 H new ATOM 0 HA3 GLY A 56 -12.119 -15.273 -5.679 1.00 20.23 H new ATOM 857 N PHE A 57 -12.456 -12.551 -7.007 1.00 45.33 N ATOM 858 CA PHE A 57 -12.448 -11.759 -8.232 1.00 65.20 C ATOM 859 C PHE A 57 -12.530 -10.268 -7.917 1.00 20.53 C ATOM 860 O PHE A 57 -12.760 -9.877 -6.772 1.00 74.31 O ATOM 861 CB PHE A 57 -13.614 -12.166 -9.135 1.00 63.21 C ATOM 862 CG PHE A 57 -13.719 -13.650 -9.346 1.00 13.42 C ATOM 863 CD1 PHE A 57 -14.391 -14.446 -8.433 1.00 21.34 C ATOM 864 CD2 PHE A 57 -13.146 -14.247 -10.457 1.00 35.42 C ATOM 865 CE1 PHE A 57 -14.490 -15.812 -8.624 1.00 14.44 C ATOM 866 CE2 PHE A 57 -13.243 -15.612 -10.653 1.00 50.03 C ATOM 867 CZ PHE A 57 -13.915 -16.395 -9.735 1.00 24.20 C ATOM 0 H PHE A 57 -13.175 -12.283 -6.336 1.00 45.33 H new ATOM 0 HA PHE A 57 -11.510 -11.951 -8.753 1.00 65.20 H new ATOM 0 HB2 PHE A 57 -14.545 -11.802 -8.699 1.00 63.21 H new ATOM 0 HB3 PHE A 57 -13.502 -11.676 -10.102 1.00 63.21 H new ATOM 0 HD1 PHE A 57 -14.843 -13.995 -7.562 1.00 21.34 H new ATOM 0 HD2 PHE A 57 -12.618 -13.640 -11.177 1.00 35.42 H new ATOM 0 HE1 PHE A 57 -15.017 -16.422 -7.905 1.00 14.44 H new ATOM 0 HE2 PHE A 57 -12.793 -16.066 -11.524 1.00 50.03 H new ATOM 0 HZ PHE A 57 -13.990 -17.462 -9.886 1.00 24.20 H new ATOM 877 N ILE A 58 -12.340 -9.442 -8.940 1.00 24.23 N ATOM 878 CA ILE A 58 -12.393 -7.995 -8.772 1.00 62.23 C ATOM 879 C ILE A 58 -13.541 -7.391 -9.573 1.00 71.03 C ATOM 880 O ILE A 58 -13.348 -6.918 -10.693 1.00 31.32 O ATOM 881 CB ILE A 58 -11.073 -7.329 -9.206 1.00 34.42 C ATOM 882 CG1 ILE A 58 -9.896 -7.930 -8.435 1.00 13.05 C ATOM 883 CG2 ILE A 58 -11.143 -5.825 -8.989 1.00 71.15 C ATOM 884 CD1 ILE A 58 -8.595 -7.907 -9.205 1.00 24.43 C ATOM 0 H ILE A 58 -12.148 -9.750 -9.893 1.00 24.23 H new ATOM 0 HA ILE A 58 -12.554 -7.806 -7.711 1.00 62.23 H new ATOM 0 HB ILE A 58 -10.920 -7.516 -10.269 1.00 34.42 H new ATOM 0 HG12 ILE A 58 -9.766 -7.382 -7.501 1.00 13.05 H new ATOM 0 HG13 ILE A 58 -10.134 -8.960 -8.170 1.00 13.05 H new ATOM 0 HG21 ILE A 58 -10.203 -5.368 -9.300 1.00 71.15 H new ATOM 0 HG22 ILE A 58 -11.961 -5.410 -9.578 1.00 71.15 H new ATOM 0 HG23 ILE A 58 -11.315 -5.617 -7.933 1.00 71.15 H new ATOM 0 HD11 ILE A 58 -7.805 -8.348 -8.598 1.00 24.43 H new ATOM 0 HD12 ILE A 58 -8.707 -8.479 -10.126 1.00 24.43 H new ATOM 0 HD13 ILE A 58 -8.334 -6.877 -9.447 1.00 24.43 H new ATOM 896 N GLU A 59 -14.736 -7.409 -8.990 1.00 42.14 N ATOM 897 CA GLU A 59 -15.915 -6.862 -9.650 1.00 53.54 C ATOM 898 C GLU A 59 -15.734 -5.375 -9.944 1.00 1.04 C ATOM 899 O GLU A 59 -14.918 -4.703 -9.313 1.00 73.12 O ATOM 900 CB GLU A 59 -17.157 -7.073 -8.782 1.00 73.52 C ATOM 901 CG GLU A 59 -17.238 -8.459 -8.163 1.00 51.24 C ATOM 902 CD GLU A 59 -17.017 -8.442 -6.663 1.00 41.53 C ATOM 903 OE1 GLU A 59 -17.649 -7.610 -5.979 1.00 50.13 O ATOM 904 OE2 GLU A 59 -16.211 -9.261 -6.174 1.00 11.43 O ATOM 0 H GLU A 59 -14.913 -7.796 -8.063 1.00 42.14 H new ATOM 0 HA GLU A 59 -16.047 -7.388 -10.595 1.00 53.54 H new ATOM 0 HB2 GLU A 59 -17.165 -6.328 -7.987 1.00 73.52 H new ATOM 0 HB3 GLU A 59 -18.047 -6.902 -9.388 1.00 73.52 H new ATOM 0 HG2 GLU A 59 -18.215 -8.892 -8.378 1.00 51.24 H new ATOM 0 HG3 GLU A 59 -16.494 -9.105 -8.629 1.00 51.24 H new ATOM 911 N GLU A 60 -16.500 -4.870 -10.905 1.00 52.42 N ATOM 912 CA GLU A 60 -16.423 -3.463 -11.283 1.00 21.31 C ATOM 913 C GLU A 60 -16.601 -2.562 -10.064 1.00 70.13 C ATOM 914 O GLU A 60 -16.113 -1.432 -10.038 1.00 54.02 O ATOM 915 CB GLU A 60 -17.486 -3.135 -12.333 1.00 61.23 C ATOM 916 CG GLU A 60 -17.093 -3.540 -13.744 1.00 42.22 C ATOM 917 CD GLU A 60 -18.278 -3.586 -14.689 1.00 45.24 C ATOM 918 OE1 GLU A 60 -19.229 -4.346 -14.413 1.00 1.42 O ATOM 919 OE2 GLU A 60 -18.253 -2.861 -15.706 1.00 42.13 O ATOM 0 H GLU A 60 -17.181 -5.413 -11.436 1.00 52.42 H new ATOM 0 HA GLU A 60 -15.436 -3.281 -11.707 1.00 21.31 H new ATOM 0 HB2 GLU A 60 -18.416 -3.637 -12.066 1.00 61.23 H new ATOM 0 HB3 GLU A 60 -17.685 -2.064 -12.314 1.00 61.23 H new ATOM 0 HG2 GLU A 60 -16.354 -2.836 -14.128 1.00 42.22 H new ATOM 0 HG3 GLU A 60 -16.616 -4.520 -13.717 1.00 42.22 H new ATOM 926 N ASP A 61 -17.303 -3.070 -9.058 1.00 32.53 N ATOM 927 CA ASP A 61 -17.546 -2.313 -7.836 1.00 11.14 C ATOM 928 C ASP A 61 -16.243 -2.066 -7.081 1.00 53.34 C ATOM 929 O ASP A 61 -16.125 -1.099 -6.329 1.00 61.31 O ATOM 930 CB ASP A 61 -18.536 -3.056 -6.938 1.00 35.12 C ATOM 931 CG ASP A 61 -19.532 -2.123 -6.277 1.00 5.15 C ATOM 932 OD1 ASP A 61 -19.206 -0.929 -6.113 1.00 0.40 O ATOM 933 OD2 ASP A 61 -20.636 -2.587 -5.922 1.00 5.03 O ATOM 0 H ASP A 61 -17.714 -4.003 -9.064 1.00 32.53 H new ATOM 0 HA ASP A 61 -17.972 -1.349 -8.115 1.00 11.14 H new ATOM 0 HB2 ASP A 61 -19.074 -3.796 -7.530 1.00 35.12 H new ATOM 0 HB3 ASP A 61 -17.987 -3.600 -6.169 1.00 35.12 H new ATOM 938 N GLU A 62 -15.269 -2.947 -7.288 1.00 54.32 N ATOM 939 CA GLU A 62 -13.976 -2.824 -6.626 1.00 31.13 C ATOM 940 C GLU A 62 -12.890 -2.426 -7.621 1.00 54.33 C ATOM 941 O GLU A 62 -11.893 -1.803 -7.254 1.00 13.13 O ATOM 942 CB GLU A 62 -13.600 -4.142 -5.945 1.00 12.34 C ATOM 943 CG GLU A 62 -13.962 -5.373 -6.758 1.00 55.44 C ATOM 944 CD GLU A 62 -13.831 -6.657 -5.963 1.00 72.13 C ATOM 945 OE1 GLU A 62 -13.212 -6.624 -4.880 1.00 21.14 O ATOM 946 OE2 GLU A 62 -14.349 -7.696 -6.425 1.00 43.44 O ATOM 0 H GLU A 62 -15.351 -3.753 -7.908 1.00 54.32 H new ATOM 0 HA GLU A 62 -14.057 -2.042 -5.871 1.00 31.13 H new ATOM 0 HB2 GLU A 62 -12.527 -4.148 -5.751 1.00 12.34 H new ATOM 0 HB3 GLU A 62 -14.099 -4.196 -4.978 1.00 12.34 H new ATOM 0 HG2 GLU A 62 -14.986 -5.277 -7.119 1.00 55.44 H new ATOM 0 HG3 GLU A 62 -13.318 -5.426 -7.636 1.00 55.44 H new ATOM 953 N LEU A 63 -13.091 -2.790 -8.883 1.00 41.41 N ATOM 954 CA LEU A 63 -12.130 -2.471 -9.933 1.00 64.21 C ATOM 955 C LEU A 63 -11.932 -0.963 -10.052 1.00 34.41 C ATOM 956 O LEU A 63 -10.870 -0.495 -10.461 1.00 64.41 O ATOM 957 CB LEU A 63 -12.599 -3.043 -11.272 1.00 52.31 C ATOM 958 CG LEU A 63 -11.524 -3.707 -12.133 1.00 3.05 C ATOM 959 CD1 LEU A 63 -12.120 -4.211 -13.438 1.00 12.14 C ATOM 960 CD2 LEU A 63 -10.384 -2.736 -12.405 1.00 23.43 C ATOM 0 H LEU A 63 -13.910 -3.306 -9.204 1.00 41.41 H new ATOM 0 HA LEU A 63 -11.175 -2.923 -9.666 1.00 64.21 H new ATOM 0 HB2 LEU A 63 -13.383 -3.775 -11.077 1.00 52.31 H new ATOM 0 HB3 LEU A 63 -13.052 -2.237 -11.850 1.00 52.31 H new ATOM 0 HG LEU A 63 -11.125 -4.561 -11.586 1.00 3.05 H new ATOM 0 HD11 LEU A 63 -11.340 -4.680 -14.037 1.00 12.14 H new ATOM 0 HD12 LEU A 63 -12.901 -4.941 -13.224 1.00 12.14 H new ATOM 0 HD13 LEU A 63 -12.547 -3.374 -13.990 1.00 12.14 H new ATOM 0 HD21 LEU A 63 -9.628 -3.225 -13.019 1.00 23.43 H new ATOM 0 HD22 LEU A 63 -10.768 -1.862 -12.931 1.00 23.43 H new ATOM 0 HD23 LEU A 63 -9.938 -2.424 -11.460 1.00 23.43 H new ATOM 972 N LYS A 64 -12.963 -0.207 -9.690 1.00 2.24 N ATOM 973 CA LYS A 64 -12.903 1.249 -9.752 1.00 32.34 C ATOM 974 C LYS A 64 -11.834 1.790 -8.808 1.00 10.20 C ATOM 975 O LYS A 64 -11.460 2.961 -8.885 1.00 22.33 O ATOM 976 CB LYS A 64 -14.264 1.851 -9.396 1.00 54.13 C ATOM 977 CG LYS A 64 -14.896 1.238 -8.159 1.00 14.14 C ATOM 978 CD LYS A 64 -15.651 2.277 -7.345 1.00 61.54 C ATOM 979 CE LYS A 64 -16.783 2.898 -8.148 1.00 51.44 C ATOM 980 NZ LYS A 64 -18.112 2.629 -7.533 1.00 53.52 N ATOM 0 H LYS A 64 -13.850 -0.578 -9.351 1.00 2.24 H new ATOM 0 HA LYS A 64 -12.641 1.534 -10.771 1.00 32.34 H new ATOM 0 HB2 LYS A 64 -14.148 2.924 -9.241 1.00 54.13 H new ATOM 0 HB3 LYS A 64 -14.941 1.723 -10.241 1.00 54.13 H new ATOM 0 HG2 LYS A 64 -15.578 0.441 -8.455 1.00 14.14 H new ATOM 0 HG3 LYS A 64 -14.122 0.783 -7.541 1.00 14.14 H new ATOM 0 HD2 LYS A 64 -16.054 1.813 -6.445 1.00 61.54 H new ATOM 0 HD3 LYS A 64 -14.963 3.057 -7.021 1.00 61.54 H new ATOM 0 HE2 LYS A 64 -16.628 3.974 -8.221 1.00 51.44 H new ATOM 0 HE3 LYS A 64 -16.766 2.503 -9.164 1.00 51.44 H new ATOM 0 HZ1 LYS A 64 -18.857 3.069 -8.110 1.00 53.52 H new ATOM 0 HZ2 LYS A 64 -18.271 1.602 -7.486 1.00 53.52 H new ATOM 0 HZ3 LYS A 64 -18.137 3.028 -6.573 1.00 53.52 H new ATOM 994 N TYR A 65 -11.345 0.931 -7.920 1.00 54.51 N ATOM 995 CA TYR A 65 -10.320 1.324 -6.961 1.00 43.32 C ATOM 996 C TYR A 65 -8.951 0.798 -7.381 1.00 62.33 C ATOM 997 O TYR A 65 -8.168 0.338 -6.550 1.00 62.51 O ATOM 998 CB TYR A 65 -10.671 0.806 -5.566 1.00 14.34 C ATOM 999 CG TYR A 65 -11.846 1.519 -4.933 1.00 64.13 C ATOM 1000 CD1 TYR A 65 -11.861 2.903 -4.816 1.00 14.44 C ATOM 1001 CD2 TYR A 65 -12.938 0.808 -4.453 1.00 14.21 C ATOM 1002 CE1 TYR A 65 -12.932 3.559 -4.238 1.00 63.10 C ATOM 1003 CE2 TYR A 65 -14.013 1.455 -3.875 1.00 55.34 C ATOM 1004 CZ TYR A 65 -14.005 2.831 -3.770 1.00 34.40 C ATOM 1005 OH TYR A 65 -15.074 3.479 -3.194 1.00 22.11 O ATOM 0 H TYR A 65 -11.642 -0.042 -7.845 1.00 54.51 H new ATOM 0 HA TYR A 65 -10.280 2.413 -6.937 1.00 43.32 H new ATOM 0 HB2 TYR A 65 -10.894 -0.259 -5.629 1.00 14.34 H new ATOM 0 HB3 TYR A 65 -9.801 0.912 -4.919 1.00 14.34 H new ATOM 0 HD1 TYR A 65 -11.022 3.476 -5.183 1.00 14.44 H new ATOM 0 HD2 TYR A 65 -12.947 -0.269 -4.533 1.00 14.21 H new ATOM 0 HE1 TYR A 65 -12.928 4.636 -4.154 1.00 63.10 H new ATOM 0 HE2 TYR A 65 -14.855 0.887 -3.507 1.00 55.34 H new ATOM 0 HH TYR A 65 -15.746 2.821 -2.918 1.00 22.11 H new ATOM 1015 N PHE A 66 -8.669 0.870 -8.678 1.00 31.40 N ATOM 1016 CA PHE A 66 -7.395 0.400 -9.211 1.00 13.43 C ATOM 1017 C PHE A 66 -6.306 1.453 -9.023 1.00 75.20 C ATOM 1018 O PHE A 66 -5.115 1.143 -9.059 1.00 42.34 O ATOM 1019 CB PHE A 66 -7.535 0.054 -10.694 1.00 53.15 C ATOM 1020 CG PHE A 66 -6.219 -0.140 -11.392 1.00 11.53 C ATOM 1021 CD1 PHE A 66 -5.456 -1.272 -11.157 1.00 43.32 C ATOM 1022 CD2 PHE A 66 -5.745 0.811 -12.281 1.00 41.22 C ATOM 1023 CE1 PHE A 66 -4.244 -1.453 -11.797 1.00 72.24 C ATOM 1024 CE2 PHE A 66 -4.535 0.635 -12.925 1.00 5.04 C ATOM 1025 CZ PHE A 66 -3.783 -0.498 -12.681 1.00 43.15 C ATOM 0 H PHE A 66 -9.305 1.249 -9.379 1.00 31.40 H new ATOM 0 HA PHE A 66 -7.108 -0.497 -8.662 1.00 13.43 H new ATOM 0 HB2 PHE A 66 -8.127 -0.856 -10.792 1.00 53.15 H new ATOM 0 HB3 PHE A 66 -8.088 0.849 -11.194 1.00 53.15 H new ATOM 0 HD1 PHE A 66 -5.812 -2.022 -10.466 1.00 43.32 H new ATOM 0 HD2 PHE A 66 -6.328 1.700 -12.473 1.00 41.22 H new ATOM 0 HE1 PHE A 66 -3.659 -2.340 -11.606 1.00 72.24 H new ATOM 0 HE2 PHE A 66 -4.178 1.382 -13.618 1.00 5.04 H new ATOM 0 HZ PHE A 66 -2.836 -0.636 -13.181 1.00 43.15 H new ATOM 1035 N LEU A 67 -6.724 2.698 -8.823 1.00 31.11 N ATOM 1036 CA LEU A 67 -5.786 3.798 -8.630 1.00 25.11 C ATOM 1037 C LEU A 67 -5.515 4.029 -7.147 1.00 15.44 C ATOM 1038 O LEU A 67 -4.672 4.847 -6.780 1.00 63.14 O ATOM 1039 CB LEU A 67 -6.331 5.077 -9.266 1.00 51.53 C ATOM 1040 CG LEU A 67 -7.030 4.911 -10.616 1.00 62.42 C ATOM 1041 CD1 LEU A 67 -7.190 6.257 -11.304 1.00 52.23 C ATOM 1042 CD2 LEU A 67 -6.255 3.946 -11.502 1.00 60.20 C ATOM 0 H LEU A 67 -7.706 2.971 -8.790 1.00 31.11 H new ATOM 0 HA LEU A 67 -4.847 3.531 -9.114 1.00 25.11 H new ATOM 0 HB2 LEU A 67 -7.034 5.534 -8.569 1.00 51.53 H new ATOM 0 HB3 LEU A 67 -5.505 5.777 -9.391 1.00 51.53 H new ATOM 0 HG LEU A 67 -8.023 4.496 -10.441 1.00 62.42 H new ATOM 0 HD11 LEU A 67 -7.689 6.118 -12.263 1.00 52.23 H new ATOM 0 HD12 LEU A 67 -7.787 6.918 -10.676 1.00 52.23 H new ATOM 0 HD13 LEU A 67 -6.208 6.701 -11.467 1.00 52.23 H new ATOM 0 HD21 LEU A 67 -6.767 3.840 -12.459 1.00 60.20 H new ATOM 0 HD22 LEU A 67 -5.250 4.333 -11.669 1.00 60.20 H new ATOM 0 HD23 LEU A 67 -6.193 2.974 -11.014 1.00 60.20 H new ATOM 1054 N GLN A 68 -6.236 3.302 -6.299 1.00 11.53 N ATOM 1055 CA GLN A 68 -6.072 3.428 -4.855 1.00 55.13 C ATOM 1056 C GLN A 68 -5.093 2.386 -4.326 1.00 33.44 C ATOM 1057 O GLN A 68 -4.866 2.290 -3.119 1.00 61.25 O ATOM 1058 CB GLN A 68 -7.423 3.280 -4.153 1.00 32.31 C ATOM 1059 CG GLN A 68 -8.007 4.598 -3.672 1.00 0.40 C ATOM 1060 CD GLN A 68 -9.185 5.055 -4.510 1.00 2.31 C ATOM 1061 OE1 GLN A 68 -10.279 5.282 -3.992 1.00 42.13 O ATOM 1062 NE2 GLN A 68 -8.967 5.193 -5.812 1.00 42.35 N ATOM 0 H GLN A 68 -6.938 2.621 -6.586 1.00 11.53 H new ATOM 0 HA GLN A 68 -5.668 4.418 -4.645 1.00 55.13 H new ATOM 0 HB2 GLN A 68 -8.128 2.808 -4.837 1.00 32.31 H new ATOM 0 HB3 GLN A 68 -7.309 2.610 -3.301 1.00 32.31 H new ATOM 0 HG2 GLN A 68 -8.323 4.494 -2.634 1.00 0.40 H new ATOM 0 HG3 GLN A 68 -7.232 5.364 -3.694 1.00 0.40 H new ATOM 0 HE21 GLN A 68 -8.044 4.994 -6.199 1.00 42.35 H new ATOM 0 HE22 GLN A 68 -9.722 5.498 -6.426 1.00 42.35 H new ATOM 1071 N ARG A 69 -4.517 1.606 -5.235 1.00 10.40 N ATOM 1072 CA ARG A 69 -3.563 0.570 -4.859 1.00 34.31 C ATOM 1073 C ARG A 69 -2.133 1.019 -5.140 1.00 4.44 C ATOM 1074 O ARG A 69 -1.210 0.693 -4.392 1.00 72.14 O ATOM 1075 CB ARG A 69 -3.860 -0.725 -5.617 1.00 34.41 C ATOM 1076 CG ARG A 69 -5.321 -0.883 -6.005 1.00 55.30 C ATOM 1077 CD ARG A 69 -6.232 -0.812 -4.789 1.00 24.42 C ATOM 1078 NE ARG A 69 -5.680 -1.540 -3.649 1.00 63.33 N ATOM 1079 CZ ARG A 69 -6.045 -1.322 -2.391 1.00 71.10 C ATOM 1080 NH1 ARG A 69 -6.958 -0.402 -2.112 1.00 50.14 N ATOM 1081 NH2 ARG A 69 -5.497 -2.025 -1.408 1.00 72.43 N ATOM 0 H ARG A 69 -4.695 1.672 -6.237 1.00 10.40 H new ATOM 0 HA ARG A 69 -3.665 0.389 -3.789 1.00 34.31 H new ATOM 0 HB2 ARG A 69 -3.248 -0.757 -6.518 1.00 34.41 H new ATOM 0 HB3 ARG A 69 -3.563 -1.573 -5.000 1.00 34.41 H new ATOM 0 HG2 ARG A 69 -5.597 -0.102 -6.714 1.00 55.30 H new ATOM 0 HG3 ARG A 69 -5.463 -1.838 -6.512 1.00 55.30 H new ATOM 0 HD2 ARG A 69 -6.387 0.231 -4.513 1.00 24.42 H new ATOM 0 HD3 ARG A 69 -7.209 -1.223 -5.043 1.00 24.42 H new ATOM 0 HE ARG A 69 -4.975 -2.255 -3.829 1.00 63.33 H new ATOM 0 HH11 ARG A 69 -7.382 0.140 -2.865 1.00 50.14 H new ATOM 0 HH12 ARG A 69 -7.236 -0.237 -1.145 1.00 50.14 H new ATOM 0 HH21 ARG A 69 -4.794 -2.734 -1.618 1.00 72.43 H new ATOM 0 HH22 ARG A 69 -5.778 -1.856 -0.442 1.00 72.43 H new ATOM 1095 N PHE A 70 -1.955 1.770 -6.222 1.00 14.12 N ATOM 1096 CA PHE A 70 -0.637 2.263 -6.602 1.00 40.44 C ATOM 1097 C PHE A 70 -0.415 3.680 -6.082 1.00 13.53 C ATOM 1098 O PHE A 70 0.721 4.105 -5.873 1.00 54.01 O ATOM 1099 CB PHE A 70 -0.479 2.237 -8.124 1.00 62.41 C ATOM 1100 CG PHE A 70 -0.474 0.850 -8.702 1.00 2.21 C ATOM 1101 CD1 PHE A 70 -1.652 0.131 -8.823 1.00 12.54 C ATOM 1102 CD2 PHE A 70 0.709 0.266 -9.124 1.00 24.51 C ATOM 1103 CE1 PHE A 70 -1.651 -1.144 -9.354 1.00 72.52 C ATOM 1104 CE2 PHE A 70 0.716 -1.010 -9.657 1.00 4.34 C ATOM 1105 CZ PHE A 70 -0.465 -1.716 -9.771 1.00 30.02 C ATOM 0 H PHE A 70 -2.707 2.050 -6.851 1.00 14.12 H new ATOM 0 HA PHE A 70 0.111 1.609 -6.154 1.00 40.44 H new ATOM 0 HB2 PHE A 70 -1.291 2.807 -8.575 1.00 62.41 H new ATOM 0 HB3 PHE A 70 0.451 2.738 -8.394 1.00 62.41 H new ATOM 0 HD1 PHE A 70 -2.582 0.573 -8.498 1.00 12.54 H new ATOM 0 HD2 PHE A 70 1.636 0.813 -9.036 1.00 24.51 H new ATOM 0 HE1 PHE A 70 -2.577 -1.693 -9.443 1.00 72.52 H new ATOM 0 HE2 PHE A 70 1.645 -1.454 -9.984 1.00 4.34 H new ATOM 0 HZ PHE A 70 -0.461 -2.713 -10.185 1.00 30.02 H new ATOM 1115 N GLU A 71 -1.510 4.407 -5.875 1.00 24.50 N ATOM 1116 CA GLU A 71 -1.435 5.776 -5.380 1.00 44.12 C ATOM 1117 C GLU A 71 -1.908 5.858 -3.932 1.00 4.04 C ATOM 1118 O GLU A 71 -1.375 6.631 -3.136 1.00 45.51 O ATOM 1119 CB GLU A 71 -2.277 6.705 -6.257 1.00 0.44 C ATOM 1120 CG GLU A 71 -1.856 8.163 -6.178 1.00 11.32 C ATOM 1121 CD GLU A 71 -2.204 8.940 -7.433 1.00 74.40 C ATOM 1122 OE1 GLU A 71 -2.084 8.369 -8.537 1.00 24.10 O ATOM 1123 OE2 GLU A 71 -2.598 10.119 -7.311 1.00 31.45 O ATOM 0 H GLU A 71 -2.458 4.070 -6.043 1.00 24.50 H new ATOM 0 HA GLU A 71 -0.393 6.094 -5.422 1.00 44.12 H new ATOM 0 HB2 GLU A 71 -2.211 6.372 -7.293 1.00 0.44 H new ATOM 0 HB3 GLU A 71 -3.323 6.621 -5.961 1.00 0.44 H new ATOM 0 HG2 GLU A 71 -2.339 8.631 -5.320 1.00 11.32 H new ATOM 0 HG3 GLU A 71 -0.781 8.218 -6.008 1.00 11.32 H new ATOM 1130 N SER A 72 -2.912 5.055 -3.597 1.00 75.22 N ATOM 1131 CA SER A 72 -3.461 5.039 -2.246 1.00 71.22 C ATOM 1132 C SER A 72 -4.029 6.405 -1.874 1.00 41.22 C ATOM 1133 O SER A 72 -3.542 7.063 -0.956 1.00 1.21 O ATOM 1134 CB SER A 72 -2.383 4.631 -1.240 1.00 73.31 C ATOM 1135 OG SER A 72 -2.962 4.172 -0.031 1.00 10.24 O ATOM 0 H SER A 72 -3.362 4.406 -4.243 1.00 75.22 H new ATOM 0 HA SER A 72 -4.270 4.309 -2.218 1.00 71.22 H new ATOM 0 HB2 SER A 72 -1.759 3.847 -1.669 1.00 73.31 H new ATOM 0 HB3 SER A 72 -1.732 5.481 -1.035 1.00 73.31 H new ATOM 0 HG SER A 72 -2.253 3.916 0.595 1.00 10.24 H new ATOM 1141 N GLY A 73 -5.064 6.826 -2.596 1.00 24.42 N ATOM 1142 CA GLY A 73 -5.682 8.111 -2.328 1.00 5.13 C ATOM 1143 C GLY A 73 -6.259 8.748 -3.576 1.00 0.41 C ATOM 1144 O GLY A 73 -7.056 9.682 -3.492 1.00 41.41 O ATOM 0 H GLY A 73 -5.485 6.300 -3.362 1.00 24.42 H new ATOM 0 HA2 GLY A 73 -6.474 7.983 -1.590 1.00 5.13 H new ATOM 0 HA3 GLY A 73 -4.943 8.782 -1.890 1.00 5.13 H new ATOM 1148 N ALA A 74 -5.855 8.244 -4.737 1.00 70.21 N ATOM 1149 CA ALA A 74 -6.338 8.770 -6.008 1.00 21.31 C ATOM 1150 C ALA A 74 -7.836 8.535 -6.165 1.00 74.24 C ATOM 1151 O ALA A 74 -8.481 7.965 -5.285 1.00 22.13 O ATOM 1152 CB ALA A 74 -5.578 8.137 -7.164 1.00 71.50 C ATOM 0 H ALA A 74 -5.194 7.472 -4.824 1.00 70.21 H new ATOM 0 HA ALA A 74 -6.163 9.846 -6.018 1.00 21.31 H new ATOM 0 HB1 ALA A 74 -5.949 8.539 -8.107 1.00 71.50 H new ATOM 0 HB2 ALA A 74 -4.516 8.361 -7.067 1.00 71.50 H new ATOM 0 HB3 ALA A 74 -5.724 7.057 -7.147 1.00 71.50 H new ATOM 1158 N ARG A 75 -8.385 8.978 -7.292 1.00 1.02 N ATOM 1159 CA ARG A 75 -9.808 8.817 -7.563 1.00 53.52 C ATOM 1160 C ARG A 75 -10.113 7.403 -8.046 1.00 75.51 C ATOM 1161 O ARG A 75 -9.215 6.571 -8.172 1.00 64.22 O ATOM 1162 CB ARG A 75 -10.268 9.835 -8.609 1.00 62.01 C ATOM 1163 CG ARG A 75 -9.618 9.645 -9.970 1.00 52.10 C ATOM 1164 CD ARG A 75 -10.036 10.736 -10.944 1.00 22.03 C ATOM 1165 NE ARG A 75 -11.472 10.997 -10.890 1.00 4.31 N ATOM 1166 CZ ARG A 75 -12.376 10.265 -11.530 1.00 53.12 C ATOM 1167 NH1 ARG A 75 -11.996 9.232 -12.269 1.00 23.35 N ATOM 1168 NH2 ARG A 75 -13.665 10.566 -11.432 1.00 70.22 N ATOM 0 H ARG A 75 -7.866 9.451 -8.032 1.00 1.02 H new ATOM 0 HA ARG A 75 -10.351 8.990 -6.634 1.00 53.52 H new ATOM 0 HB2 ARG A 75 -11.350 9.766 -8.720 1.00 62.01 H new ATOM 0 HB3 ARG A 75 -10.048 10.840 -8.248 1.00 62.01 H new ATOM 0 HG2 ARG A 75 -8.534 9.650 -9.860 1.00 52.10 H new ATOM 0 HG3 ARG A 75 -9.894 8.671 -10.373 1.00 52.10 H new ATOM 0 HD2 ARG A 75 -9.492 11.653 -10.717 1.00 22.03 H new ATOM 0 HD3 ARG A 75 -9.759 10.444 -11.957 1.00 22.03 H new ATOM 0 HE ARG A 75 -11.798 11.785 -10.330 1.00 4.31 H new ATOM 0 HH11 ARG A 75 -11.006 8.997 -12.347 1.00 23.35 H new ATOM 0 HH12 ARG A 75 -12.693 8.672 -12.759 1.00 23.35 H new ATOM 0 HH21 ARG A 75 -13.962 11.360 -10.865 1.00 70.22 H new ATOM 0 HH22 ARG A 75 -14.359 10.003 -11.924 1.00 70.22 H new ATOM 1182 N VAL A 76 -11.388 7.136 -8.314 1.00 41.24 N ATOM 1183 CA VAL A 76 -11.812 5.823 -8.784 1.00 30.41 C ATOM 1184 C VAL A 76 -12.059 5.830 -10.288 1.00 41.02 C ATOM 1185 O VAL A 76 -12.423 6.856 -10.864 1.00 10.42 O ATOM 1186 CB VAL A 76 -13.093 5.357 -8.067 1.00 12.03 C ATOM 1187 CG1 VAL A 76 -13.035 5.707 -6.588 1.00 3.33 C ATOM 1188 CG2 VAL A 76 -14.322 5.971 -8.720 1.00 71.13 C ATOM 0 H VAL A 76 -12.145 7.812 -8.213 1.00 41.24 H new ATOM 0 HA VAL A 76 -11.003 5.129 -8.555 1.00 30.41 H new ATOM 0 HB VAL A 76 -13.165 4.273 -8.157 1.00 12.03 H new ATOM 0 HG11 VAL A 76 -13.949 5.370 -6.098 1.00 3.33 H new ATOM 0 HG12 VAL A 76 -12.176 5.216 -6.131 1.00 3.33 H new ATOM 0 HG13 VAL A 76 -12.939 6.787 -6.473 1.00 3.33 H new ATOM 0 HG21 VAL A 76 -15.218 5.631 -8.201 1.00 71.13 H new ATOM 0 HG22 VAL A 76 -14.260 7.058 -8.663 1.00 71.13 H new ATOM 0 HG23 VAL A 76 -14.370 5.665 -9.765 1.00 71.13 H new ATOM 1198 N LEU A 77 -11.859 4.679 -10.920 1.00 71.15 N ATOM 1199 CA LEU A 77 -12.061 4.551 -12.360 1.00 4.53 C ATOM 1200 C LEU A 77 -13.476 4.966 -12.750 1.00 63.32 C ATOM 1201 O LEU A 77 -14.452 4.540 -12.132 1.00 73.03 O ATOM 1202 CB LEU A 77 -11.797 3.112 -12.806 1.00 43.40 C ATOM 1203 CG LEU A 77 -10.448 2.519 -12.396 1.00 52.13 C ATOM 1204 CD1 LEU A 77 -10.270 1.134 -12.998 1.00 24.10 C ATOM 1205 CD2 LEU A 77 -9.311 3.437 -12.820 1.00 1.33 C ATOM 0 H LEU A 77 -11.557 3.821 -10.459 1.00 71.15 H new ATOM 0 HA LEU A 77 -11.357 5.215 -12.862 1.00 4.53 H new ATOM 0 HB2 LEU A 77 -12.587 2.478 -12.405 1.00 43.40 H new ATOM 0 HB3 LEU A 77 -11.875 3.069 -13.892 1.00 43.40 H new ATOM 0 HG LEU A 77 -10.428 2.427 -11.310 1.00 52.13 H new ATOM 0 HD11 LEU A 77 -9.305 0.727 -12.696 1.00 24.10 H new ATOM 0 HD12 LEU A 77 -11.066 0.479 -12.645 1.00 24.10 H new ATOM 0 HD13 LEU A 77 -10.311 1.202 -14.085 1.00 24.10 H new ATOM 0 HD21 LEU A 77 -8.359 2.999 -12.520 1.00 1.33 H new ATOM 0 HD22 LEU A 77 -9.328 3.561 -13.903 1.00 1.33 H new ATOM 0 HD23 LEU A 77 -9.430 4.409 -12.341 1.00 1.33 H new ATOM 1217 N THR A 78 -13.580 5.798 -13.782 1.00 20.31 N ATOM 1218 CA THR A 78 -14.875 6.269 -14.256 1.00 71.21 C ATOM 1219 C THR A 78 -15.588 5.193 -15.068 1.00 1.14 C ATOM 1220 O THR A 78 -15.081 4.083 -15.225 1.00 43.01 O ATOM 1221 CB THR A 78 -14.730 7.536 -15.120 1.00 31.12 C ATOM 1222 OG1 THR A 78 -16.023 8.016 -15.506 1.00 3.11 O ATOM 1223 CG2 THR A 78 -13.897 7.253 -16.361 1.00 33.51 C ATOM 0 H THR A 78 -12.782 6.159 -14.305 1.00 20.31 H new ATOM 0 HA THR A 78 -15.468 6.506 -13.373 1.00 71.21 H new ATOM 0 HB THR A 78 -14.222 8.297 -14.527 1.00 31.12 H new ATOM 0 HG1 THR A 78 -15.922 8.823 -16.054 1.00 3.11 H new ATOM 0 HG21 THR A 78 -13.809 8.163 -16.955 1.00 33.51 H new ATOM 0 HG22 THR A 78 -12.904 6.916 -16.064 1.00 33.51 H new ATOM 0 HG23 THR A 78 -14.381 6.477 -16.955 1.00 33.51 H new ATOM 1231 N ALA A 79 -16.766 5.530 -15.581 1.00 74.34 N ATOM 1232 CA ALA A 79 -17.547 4.593 -16.379 1.00 75.15 C ATOM 1233 C ALA A 79 -16.849 4.280 -17.698 1.00 51.15 C ATOM 1234 O ALA A 79 -17.250 3.370 -18.423 1.00 61.44 O ATOM 1235 CB ALA A 79 -18.939 5.151 -16.636 1.00 54.24 C ATOM 0 H ALA A 79 -17.201 6.445 -15.458 1.00 74.34 H new ATOM 0 HA ALA A 79 -17.638 3.664 -15.817 1.00 75.15 H new ATOM 0 HB1 ALA A 79 -19.511 4.441 -17.233 1.00 54.24 H new ATOM 0 HB2 ALA A 79 -19.446 5.317 -15.685 1.00 54.24 H new ATOM 0 HB3 ALA A 79 -18.859 6.096 -17.174 1.00 54.24 H new ATOM 1241 N SER A 80 -15.803 5.041 -18.004 1.00 51.20 N ATOM 1242 CA SER A 80 -15.052 4.848 -19.239 1.00 24.24 C ATOM 1243 C SER A 80 -13.698 4.203 -18.955 1.00 72.04 C ATOM 1244 O SER A 80 -12.994 3.786 -19.874 1.00 44.10 O ATOM 1245 CB SER A 80 -14.852 6.185 -19.954 1.00 54.31 C ATOM 1246 OG SER A 80 -14.398 5.990 -21.282 1.00 44.51 O ATOM 0 H SER A 80 -15.456 5.797 -17.414 1.00 51.20 H new ATOM 0 HA SER A 80 -15.625 4.182 -19.884 1.00 24.24 H new ATOM 0 HB2 SER A 80 -15.791 6.739 -19.965 1.00 54.31 H new ATOM 0 HB3 SER A 80 -14.131 6.790 -19.405 1.00 54.31 H new ATOM 0 HG SER A 80 -13.789 5.222 -21.310 1.00 44.51 H new ATOM 1252 N GLU A 81 -13.343 4.125 -17.677 1.00 4.42 N ATOM 1253 CA GLU A 81 -12.073 3.532 -17.272 1.00 53.43 C ATOM 1254 C GLU A 81 -12.251 2.060 -16.912 1.00 0.32 C ATOM 1255 O GLU A 81 -11.660 1.180 -17.538 1.00 23.44 O ATOM 1256 CB GLU A 81 -11.486 4.293 -16.082 1.00 11.14 C ATOM 1257 CG GLU A 81 -10.933 5.661 -16.446 1.00 33.32 C ATOM 1258 CD GLU A 81 -9.607 5.578 -17.177 1.00 15.31 C ATOM 1259 OE1 GLU A 81 -8.591 5.255 -16.528 1.00 63.44 O ATOM 1260 OE2 GLU A 81 -9.587 5.837 -18.399 1.00 13.55 O ATOM 0 H GLU A 81 -13.916 4.464 -16.904 1.00 4.42 H new ATOM 0 HA GLU A 81 -11.384 3.601 -18.113 1.00 53.43 H new ATOM 0 HB2 GLU A 81 -12.258 4.413 -15.322 1.00 11.14 H new ATOM 0 HB3 GLU A 81 -10.690 3.696 -15.636 1.00 11.14 H new ATOM 0 HG2 GLU A 81 -11.656 6.187 -17.070 1.00 33.32 H new ATOM 0 HG3 GLU A 81 -10.807 6.251 -15.538 1.00 33.32 H new ATOM 1267 N THR A 82 -13.070 1.800 -15.897 1.00 42.03 N ATOM 1268 CA THR A 82 -13.325 0.436 -15.451 1.00 42.23 C ATOM 1269 C THR A 82 -13.729 -0.457 -16.618 1.00 64.54 C ATOM 1270 O THR A 82 -13.203 -1.559 -16.782 1.00 44.40 O ATOM 1271 CB THR A 82 -14.431 0.393 -14.380 1.00 24.12 C ATOM 1272 OG1 THR A 82 -15.081 1.666 -14.296 1.00 33.33 O ATOM 1273 CG2 THR A 82 -13.854 0.022 -13.022 1.00 31.31 C ATOM 0 H THR A 82 -13.568 2.516 -15.369 1.00 42.03 H new ATOM 0 HA THR A 82 -12.396 0.066 -15.018 1.00 42.23 H new ATOM 0 HB THR A 82 -15.157 -0.367 -14.669 1.00 24.12 H new ATOM 0 HG1 THR A 82 -15.784 1.630 -13.614 1.00 33.33 H new ATOM 0 HG21 THR A 82 -14.653 -0.002 -12.281 1.00 31.31 H new ATOM 0 HG22 THR A 82 -13.385 -0.960 -13.082 1.00 31.31 H new ATOM 0 HG23 THR A 82 -13.110 0.762 -12.728 1.00 31.31 H new ATOM 1281 N LYS A 83 -14.666 0.023 -17.429 1.00 5.02 N ATOM 1282 CA LYS A 83 -15.139 -0.731 -18.583 1.00 74.03 C ATOM 1283 C LYS A 83 -13.969 -1.246 -19.415 1.00 1.32 C ATOM 1284 O LYS A 83 -13.942 -2.410 -19.816 1.00 15.12 O ATOM 1285 CB LYS A 83 -16.050 0.142 -19.450 1.00 44.10 C ATOM 1286 CG LYS A 83 -17.519 0.045 -19.079 1.00 12.04 C ATOM 1287 CD LYS A 83 -18.400 0.749 -20.097 1.00 45.14 C ATOM 1288 CE LYS A 83 -18.804 -0.187 -21.226 1.00 41.11 C ATOM 1289 NZ LYS A 83 -17.762 -0.258 -22.288 1.00 31.33 N ATOM 0 H LYS A 83 -15.113 0.932 -17.308 1.00 5.02 H new ATOM 0 HA LYS A 83 -15.706 -1.587 -18.218 1.00 74.03 H new ATOM 0 HB2 LYS A 83 -15.731 1.181 -19.366 1.00 44.10 H new ATOM 0 HB3 LYS A 83 -15.928 -0.146 -20.494 1.00 44.10 H new ATOM 0 HG2 LYS A 83 -17.809 -1.003 -19.009 1.00 12.04 H new ATOM 0 HG3 LYS A 83 -17.676 0.485 -18.094 1.00 12.04 H new ATOM 0 HD2 LYS A 83 -19.293 1.132 -19.604 1.00 45.14 H new ATOM 0 HD3 LYS A 83 -17.869 1.608 -20.507 1.00 45.14 H new ATOM 0 HE2 LYS A 83 -18.982 -1.185 -20.824 1.00 41.11 H new ATOM 0 HE3 LYS A 83 -19.744 0.153 -21.661 1.00 41.11 H new ATOM 0 HZ1 LYS A 83 -18.215 -0.430 -23.208 1.00 31.33 H new ATOM 0 HZ2 LYS A 83 -17.239 0.640 -22.322 1.00 31.33 H new ATOM 0 HZ3 LYS A 83 -17.103 -1.034 -22.076 1.00 31.33 H new ATOM 1303 N THR A 84 -13.000 -0.372 -19.670 1.00 13.50 N ATOM 1304 CA THR A 84 -11.827 -0.738 -20.453 1.00 50.32 C ATOM 1305 C THR A 84 -11.037 -1.849 -19.772 1.00 64.25 C ATOM 1306 O THR A 84 -10.866 -2.934 -20.329 1.00 70.03 O ATOM 1307 CB THR A 84 -10.901 0.473 -20.677 1.00 23.42 C ATOM 1308 OG1 THR A 84 -11.658 1.585 -21.167 1.00 23.11 O ATOM 1309 CG2 THR A 84 -9.794 0.132 -21.663 1.00 62.11 C ATOM 0 H THR A 84 -13.005 0.595 -19.345 1.00 13.50 H new ATOM 0 HA THR A 84 -12.189 -1.092 -21.418 1.00 50.32 H new ATOM 0 HB THR A 84 -10.447 0.737 -19.722 1.00 23.42 H new ATOM 0 HG1 THR A 84 -11.975 2.123 -20.412 1.00 23.11 H new ATOM 0 HG21 THR A 84 -9.153 1.002 -21.805 1.00 62.11 H new ATOM 0 HG22 THR A 84 -9.201 -0.695 -21.273 1.00 62.11 H new ATOM 0 HG23 THR A 84 -10.233 -0.155 -22.618 1.00 62.11 H new ATOM 1317 N PHE A 85 -10.556 -1.573 -18.565 1.00 32.04 N ATOM 1318 CA PHE A 85 -9.783 -2.550 -17.808 1.00 21.55 C ATOM 1319 C PHE A 85 -10.516 -3.887 -17.737 1.00 0.25 C ATOM 1320 O PHE A 85 -9.899 -4.951 -17.803 1.00 50.15 O ATOM 1321 CB PHE A 85 -9.508 -2.031 -16.395 1.00 21.12 C ATOM 1322 CG PHE A 85 -8.327 -2.685 -15.735 1.00 53.52 C ATOM 1323 CD1 PHE A 85 -8.411 -3.986 -15.266 1.00 54.42 C ATOM 1324 CD2 PHE A 85 -7.133 -1.998 -15.585 1.00 12.04 C ATOM 1325 CE1 PHE A 85 -7.327 -4.589 -14.658 1.00 43.21 C ATOM 1326 CE2 PHE A 85 -6.045 -2.596 -14.978 1.00 20.24 C ATOM 1327 CZ PHE A 85 -6.142 -3.894 -14.515 1.00 3.22 C ATOM 0 H PHE A 85 -10.688 -0.680 -18.090 1.00 32.04 H new ATOM 0 HA PHE A 85 -8.834 -2.702 -18.323 1.00 21.55 H new ATOM 0 HB2 PHE A 85 -9.340 -0.955 -16.438 1.00 21.12 H new ATOM 0 HB3 PHE A 85 -10.393 -2.191 -15.779 1.00 21.12 H new ATOM 0 HD1 PHE A 85 -9.334 -4.535 -15.377 1.00 54.42 H new ATOM 0 HD2 PHE A 85 -7.052 -0.984 -15.947 1.00 12.04 H new ATOM 0 HE1 PHE A 85 -7.406 -5.603 -14.295 1.00 43.21 H new ATOM 0 HE2 PHE A 85 -5.120 -2.049 -14.866 1.00 20.24 H new ATOM 0 HZ PHE A 85 -5.293 -4.364 -14.042 1.00 3.22 H new ATOM 1337 N LEU A 86 -11.836 -3.824 -17.600 1.00 2.01 N ATOM 1338 CA LEU A 86 -12.655 -5.029 -17.519 1.00 2.50 C ATOM 1339 C LEU A 86 -12.778 -5.696 -18.885 1.00 24.32 C ATOM 1340 O LEU A 86 -12.812 -6.922 -18.986 1.00 75.24 O ATOM 1341 CB LEU A 86 -14.045 -4.689 -16.978 1.00 43.41 C ATOM 1342 CG LEU A 86 -15.035 -5.851 -16.893 1.00 5.12 C ATOM 1343 CD1 LEU A 86 -14.568 -6.875 -15.870 1.00 60.42 C ATOM 1344 CD2 LEU A 86 -16.426 -5.342 -16.544 1.00 62.33 C ATOM 0 H LEU A 86 -12.362 -2.952 -17.543 1.00 2.01 H new ATOM 0 HA LEU A 86 -12.167 -5.726 -16.837 1.00 2.50 H new ATOM 0 HB2 LEU A 86 -13.931 -4.262 -15.982 1.00 43.41 H new ATOM 0 HB3 LEU A 86 -14.479 -3.914 -17.609 1.00 43.41 H new ATOM 0 HG LEU A 86 -15.082 -6.336 -17.868 1.00 5.12 H new ATOM 0 HD11 LEU A 86 -15.285 -7.695 -15.823 1.00 60.42 H new ATOM 0 HD12 LEU A 86 -13.592 -7.262 -16.162 1.00 60.42 H new ATOM 0 HD13 LEU A 86 -14.492 -6.402 -14.891 1.00 60.42 H new ATOM 0 HD21 LEU A 86 -17.118 -6.183 -16.488 1.00 62.33 H new ATOM 0 HD22 LEU A 86 -16.396 -4.832 -15.581 1.00 62.33 H new ATOM 0 HD23 LEU A 86 -16.762 -4.646 -17.313 1.00 62.33 H new ATOM 1356 N ALA A 87 -12.840 -4.881 -19.933 1.00 35.33 N ATOM 1357 CA ALA A 87 -12.955 -5.393 -21.293 1.00 23.13 C ATOM 1358 C ALA A 87 -11.586 -5.750 -21.862 1.00 3.31 C ATOM 1359 O ALA A 87 -11.460 -6.082 -23.040 1.00 53.11 O ATOM 1360 CB ALA A 87 -13.650 -4.374 -22.184 1.00 4.15 C ATOM 0 H ALA A 87 -12.813 -3.864 -19.866 1.00 35.33 H new ATOM 0 HA ALA A 87 -13.556 -6.302 -21.263 1.00 23.13 H new ATOM 0 HB1 ALA A 87 -13.729 -4.770 -23.197 1.00 4.15 H new ATOM 0 HB2 ALA A 87 -14.648 -4.171 -21.795 1.00 4.15 H new ATOM 0 HB3 ALA A 87 -13.072 -3.450 -22.200 1.00 4.15 H new ATOM 1366 N ALA A 88 -10.562 -5.678 -21.017 1.00 41.25 N ATOM 1367 CA ALA A 88 -9.202 -5.994 -21.437 1.00 33.44 C ATOM 1368 C ALA A 88 -8.651 -7.184 -20.658 1.00 4.33 C ATOM 1369 O ALA A 88 -7.656 -7.790 -21.054 1.00 44.42 O ATOM 1370 CB ALA A 88 -8.300 -4.782 -21.261 1.00 51.13 C ATOM 0 H ALA A 88 -10.649 -5.404 -20.038 1.00 41.25 H new ATOM 0 HA ALA A 88 -9.227 -6.263 -22.493 1.00 33.44 H new ATOM 0 HB1 ALA A 88 -7.288 -5.033 -21.578 1.00 51.13 H new ATOM 0 HB2 ALA A 88 -8.676 -3.957 -21.866 1.00 51.13 H new ATOM 0 HB3 ALA A 88 -8.288 -4.486 -20.212 1.00 51.13 H new ATOM 1376 N ALA A 89 -9.303 -7.512 -19.547 1.00 40.13 N ATOM 1377 CA ALA A 89 -8.878 -8.630 -18.714 1.00 10.43 C ATOM 1378 C ALA A 89 -9.946 -9.717 -18.667 1.00 70.04 C ATOM 1379 O ALA A 89 -9.680 -10.875 -18.985 1.00 23.43 O ATOM 1380 CB ALA A 89 -8.553 -8.146 -17.308 1.00 71.02 C ATOM 0 H ALA A 89 -10.127 -7.019 -19.203 1.00 40.13 H new ATOM 0 HA ALA A 89 -7.979 -9.060 -19.156 1.00 10.43 H new ATOM 0 HB1 ALA A 89 -8.237 -8.991 -16.696 1.00 71.02 H new ATOM 0 HB2 ALA A 89 -7.750 -7.410 -17.353 1.00 71.02 H new ATOM 0 HB3 ALA A 89 -9.439 -7.690 -16.866 1.00 71.02 H new ATOM 1386 N ASP A 90 -11.155 -9.336 -18.269 1.00 54.33 N ATOM 1387 CA ASP A 90 -12.264 -10.279 -18.180 1.00 63.53 C ATOM 1388 C ASP A 90 -12.540 -10.924 -19.535 1.00 44.14 C ATOM 1389 O ASP A 90 -12.233 -12.097 -19.751 1.00 34.00 O ATOM 1390 CB ASP A 90 -13.523 -9.573 -17.673 1.00 23.40 C ATOM 1391 CG ASP A 90 -14.722 -10.498 -17.623 1.00 50.22 C ATOM 1392 OD1 ASP A 90 -14.772 -11.350 -16.606 1.00 54.00 O ATOM 1393 OD2 ASP A 90 -15.595 -10.446 -18.490 1.00 32.32 O ATOM 0 H ASP A 90 -11.392 -8.380 -18.003 1.00 54.33 H new ATOM 0 HA ASP A 90 -11.986 -11.062 -17.474 1.00 63.53 H new ATOM 0 HB2 ASP A 90 -13.335 -9.171 -16.677 1.00 23.40 H new ATOM 0 HB3 ASP A 90 -13.748 -8.726 -18.321 1.00 23.40 H new ATOM 1398 N HIS A 91 -13.120 -10.149 -20.446 1.00 44.42 N ATOM 1399 CA HIS A 91 -13.436 -10.643 -21.781 1.00 61.14 C ATOM 1400 C HIS A 91 -14.386 -11.834 -21.709 1.00 34.44 C ATOM 1401 O HIS A 91 -14.625 -12.513 -22.708 1.00 41.50 O ATOM 1402 CB HIS A 91 -12.156 -11.041 -22.517 1.00 71.13 C ATOM 1403 CG HIS A 91 -12.273 -10.963 -24.008 1.00 55.43 C ATOM 1404 ND1 HIS A 91 -11.186 -11.027 -24.853 1.00 63.53 N ATOM 1405 CD2 HIS A 91 -13.359 -10.826 -24.805 1.00 12.50 C ATOM 1406 CE1 HIS A 91 -11.597 -10.932 -26.105 1.00 50.11 C ATOM 1407 NE2 HIS A 91 -12.912 -10.809 -26.103 1.00 51.03 N ATOM 0 H HIS A 91 -13.381 -9.176 -20.284 1.00 44.42 H new ATOM 0 HA HIS A 91 -13.928 -9.841 -22.331 1.00 61.14 H new ATOM 0 HB2 HIS A 91 -11.343 -10.393 -22.190 1.00 71.13 H new ATOM 0 HB3 HIS A 91 -11.886 -12.059 -22.235 1.00 71.13 H new ATOM 0 HD2 HIS A 91 -14.386 -10.745 -24.480 1.00 12.50 H new ATOM 0 HE1 HIS A 91 -10.965 -10.952 -26.981 1.00 50.11 H new ATOM 0 HE2 HIS A 91 -13.500 -10.716 -26.931 1.00 51.03 H new ATOM 1415 N ASP A 92 -14.925 -12.083 -20.520 1.00 61.31 N ATOM 1416 CA ASP A 92 -15.850 -13.193 -20.317 1.00 5.42 C ATOM 1417 C ASP A 92 -17.281 -12.686 -20.165 1.00 25.42 C ATOM 1418 O ASP A 92 -18.236 -13.456 -20.263 1.00 44.53 O ATOM 1419 CB ASP A 92 -15.447 -14.000 -19.082 1.00 32.22 C ATOM 1420 CG ASP A 92 -13.944 -14.050 -18.887 1.00 75.53 C ATOM 1421 OD1 ASP A 92 -13.234 -14.416 -19.847 1.00 54.31 O ATOM 1422 OD2 ASP A 92 -13.479 -13.725 -17.775 1.00 24.41 O ATOM 0 H ASP A 92 -14.738 -11.532 -19.683 1.00 61.31 H new ATOM 0 HA ASP A 92 -15.804 -13.839 -21.194 1.00 5.42 H new ATOM 0 HB2 ASP A 92 -15.911 -13.562 -18.198 1.00 32.22 H new ATOM 0 HB3 ASP A 92 -15.832 -15.015 -19.174 1.00 32.22 H new ATOM 1427 N GLY A 93 -17.421 -11.386 -19.923 1.00 63.40 N ATOM 1428 CA GLY A 93 -18.738 -10.800 -19.760 1.00 11.01 C ATOM 1429 C GLY A 93 -19.361 -11.138 -18.420 1.00 52.40 C ATOM 1430 O GLY A 93 -20.546 -11.462 -18.343 1.00 13.10 O ATOM 0 H GLY A 93 -16.646 -10.729 -19.837 1.00 63.40 H new ATOM 0 HA2 GLY A 93 -18.665 -9.717 -19.861 1.00 11.01 H new ATOM 0 HA3 GLY A 93 -19.390 -11.151 -20.559 1.00 11.01 H new ATOM 1434 N ASP A 94 -18.561 -11.063 -17.362 1.00 73.30 N ATOM 1435 CA ASP A 94 -19.041 -11.364 -16.018 1.00 71.32 C ATOM 1436 C ASP A 94 -19.007 -10.119 -15.138 1.00 35.14 C ATOM 1437 O ASP A 94 -19.835 -9.957 -14.242 1.00 31.32 O ATOM 1438 CB ASP A 94 -18.196 -12.473 -15.388 1.00 40.42 C ATOM 1439 CG ASP A 94 -17.529 -13.353 -16.427 1.00 4.25 C ATOM 1440 OD1 ASP A 94 -18.151 -13.605 -17.479 1.00 14.40 O ATOM 1441 OD2 ASP A 94 -16.384 -13.791 -16.186 1.00 43.33 O ATOM 0 H ASP A 94 -17.578 -10.796 -17.409 1.00 73.30 H new ATOM 0 HA ASP A 94 -20.074 -11.704 -16.095 1.00 71.32 H new ATOM 0 HB2 ASP A 94 -17.433 -12.027 -14.750 1.00 40.42 H new ATOM 0 HB3 ASP A 94 -18.828 -13.088 -14.747 1.00 40.42 H new ATOM 1446 N GLY A 95 -18.043 -9.241 -15.399 1.00 32.54 N ATOM 1447 CA GLY A 95 -17.919 -8.023 -14.620 1.00 42.25 C ATOM 1448 C GLY A 95 -16.892 -8.145 -13.512 1.00 40.22 C ATOM 1449 O GLY A 95 -16.552 -7.158 -12.859 1.00 20.33 O ATOM 0 H GLY A 95 -17.346 -9.352 -16.136 1.00 32.54 H new ATOM 0 HA2 GLY A 95 -17.642 -7.201 -15.279 1.00 42.25 H new ATOM 0 HA3 GLY A 95 -18.887 -7.772 -14.187 1.00 42.25 H new ATOM 1453 N LYS A 96 -16.397 -9.359 -13.298 1.00 2.04 N ATOM 1454 CA LYS A 96 -15.403 -9.608 -12.260 1.00 63.15 C ATOM 1455 C LYS A 96 -14.119 -10.173 -12.861 1.00 75.01 C ATOM 1456 O LYS A 96 -14.160 -11.074 -13.699 1.00 61.41 O ATOM 1457 CB LYS A 96 -15.959 -10.577 -11.215 1.00 23.43 C ATOM 1458 CG LYS A 96 -16.238 -11.967 -11.761 1.00 53.30 C ATOM 1459 CD LYS A 96 -17.660 -12.409 -11.458 1.00 60.31 C ATOM 1460 CE LYS A 96 -17.706 -13.366 -10.277 1.00 31.14 C ATOM 1461 NZ LYS A 96 -18.875 -14.285 -10.352 1.00 73.25 N ATOM 0 H LYS A 96 -16.668 -10.186 -13.830 1.00 2.04 H new ATOM 0 HA LYS A 96 -15.171 -8.658 -11.778 1.00 63.15 H new ATOM 0 HB2 LYS A 96 -15.250 -10.655 -10.391 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -16.881 -10.165 -10.804 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -16.075 -11.975 -12.839 1.00 53.30 H new ATOM 0 HG3 LYS A 96 -15.535 -12.678 -11.327 1.00 53.30 H new ATOM 0 HD2 LYS A 96 -18.276 -11.536 -11.244 1.00 60.31 H new ATOM 0 HD3 LYS A 96 -18.087 -12.893 -12.337 1.00 60.31 H new ATOM 0 HE2 LYS A 96 -16.786 -13.950 -10.247 1.00 31.14 H new ATOM 0 HE3 LYS A 96 -17.752 -12.796 -9.349 1.00 31.14 H new ATOM 0 HZ1 LYS A 96 -18.870 -14.921 -9.529 1.00 73.25 H new ATOM 0 HZ2 LYS A 96 -19.754 -13.729 -10.355 1.00 73.25 H new ATOM 0 HZ3 LYS A 96 -18.819 -14.848 -11.225 1.00 73.25 H new ATOM 1475 N ILE A 97 -12.983 -9.639 -12.427 1.00 11.32 N ATOM 1476 CA ILE A 97 -11.689 -10.092 -12.920 1.00 63.13 C ATOM 1477 C ILE A 97 -11.178 -11.280 -12.113 1.00 21.44 C ATOM 1478 O ILE A 97 -11.373 -11.350 -10.900 1.00 34.20 O ATOM 1479 CB ILE A 97 -10.641 -8.964 -12.871 1.00 71.24 C ATOM 1480 CG1 ILE A 97 -11.069 -7.802 -13.769 1.00 53.43 C ATOM 1481 CG2 ILE A 97 -9.277 -9.490 -13.291 1.00 63.12 C ATOM 1482 CD1 ILE A 97 -11.050 -8.138 -15.244 1.00 35.21 C ATOM 0 H ILE A 97 -12.933 -8.892 -11.735 1.00 11.32 H new ATOM 0 HA ILE A 97 -11.836 -10.396 -13.956 1.00 63.13 H new ATOM 0 HB ILE A 97 -10.568 -8.599 -11.846 1.00 71.24 H new ATOM 0 HG12 ILE A 97 -12.075 -7.489 -13.489 1.00 53.43 H new ATOM 0 HG13 ILE A 97 -10.409 -6.953 -13.590 1.00 53.43 H new ATOM 0 HG21 ILE A 97 -8.547 -8.681 -13.251 1.00 63.12 H new ATOM 0 HG22 ILE A 97 -8.971 -10.288 -12.615 1.00 63.12 H new ATOM 0 HG23 ILE A 97 -9.334 -9.878 -14.308 1.00 63.12 H new ATOM 0 HD11 ILE A 97 -11.365 -7.268 -15.820 1.00 35.21 H new ATOM 0 HD12 ILE A 97 -10.040 -8.422 -15.539 1.00 35.21 H new ATOM 0 HD13 ILE A 97 -11.731 -8.966 -15.437 1.00 35.21 H new ATOM 1494 N GLY A 98 -10.520 -12.214 -12.794 1.00 52.42 N ATOM 1495 CA GLY A 98 -9.989 -13.386 -12.124 1.00 35.13 C ATOM 1496 C GLY A 98 -8.482 -13.489 -12.242 1.00 62.24 C ATOM 1497 O GLY A 98 -7.852 -12.695 -12.940 1.00 3.35 O ATOM 0 H GLY A 98 -10.345 -12.179 -13.798 1.00 52.42 H new ATOM 0 HA2 GLY A 98 -10.266 -13.355 -11.070 1.00 35.13 H new ATOM 0 HA3 GLY A 98 -10.445 -14.281 -12.548 1.00 35.13 H new ATOM 1501 N ALA A 99 -7.902 -14.470 -11.558 1.00 43.14 N ATOM 1502 CA ALA A 99 -6.459 -14.674 -11.591 1.00 22.03 C ATOM 1503 C ALA A 99 -6.044 -15.463 -12.827 1.00 65.54 C ATOM 1504 O ALA A 99 -4.868 -15.780 -13.006 1.00 70.24 O ATOM 1505 CB ALA A 99 -5.998 -15.387 -10.328 1.00 12.12 C ATOM 0 H ALA A 99 -8.409 -15.136 -10.975 1.00 43.14 H new ATOM 0 HA ALA A 99 -5.980 -13.696 -11.639 1.00 22.03 H new ATOM 0 HB1 ALA A 99 -4.918 -15.533 -10.366 1.00 12.12 H new ATOM 0 HB2 ALA A 99 -6.252 -14.784 -9.456 1.00 12.12 H new ATOM 0 HB3 ALA A 99 -6.493 -16.356 -10.256 1.00 12.12 H new ATOM 1511 N GLU A 100 -7.016 -15.778 -13.677 1.00 72.32 N ATOM 1512 CA GLU A 100 -6.750 -16.533 -14.896 1.00 51.44 C ATOM 1513 C GLU A 100 -6.963 -15.663 -16.132 1.00 10.52 C ATOM 1514 O GLU A 100 -6.608 -16.050 -17.244 1.00 72.05 O ATOM 1515 CB GLU A 100 -7.652 -17.766 -14.966 1.00 72.54 C ATOM 1516 CG GLU A 100 -7.187 -18.912 -14.083 1.00 11.55 C ATOM 1517 CD GLU A 100 -5.801 -19.406 -14.449 1.00 54.04 C ATOM 1518 OE1 GLU A 100 -4.813 -18.828 -13.951 1.00 52.43 O ATOM 1519 OE2 GLU A 100 -5.706 -20.372 -15.235 1.00 63.21 O ATOM 0 H GLU A 100 -7.994 -15.522 -13.544 1.00 72.32 H new ATOM 0 HA GLU A 100 -5.709 -16.854 -14.874 1.00 51.44 H new ATOM 0 HB2 GLU A 100 -8.664 -17.482 -14.676 1.00 72.54 H new ATOM 0 HB3 GLU A 100 -7.702 -18.111 -15.999 1.00 72.54 H new ATOM 0 HG2 GLU A 100 -7.190 -18.588 -13.042 1.00 11.55 H new ATOM 0 HG3 GLU A 100 -7.895 -19.737 -14.162 1.00 11.55 H new ATOM 1526 N GLU A 101 -7.545 -14.485 -15.926 1.00 73.32 N ATOM 1527 CA GLU A 101 -7.807 -13.561 -17.023 1.00 61.14 C ATOM 1528 C GLU A 101 -7.157 -12.206 -16.760 1.00 11.22 C ATOM 1529 O GLU A 101 -7.330 -11.261 -17.531 1.00 20.54 O ATOM 1530 CB GLU A 101 -9.314 -13.386 -17.224 1.00 63.20 C ATOM 1531 CG GLU A 101 -9.954 -12.432 -16.229 1.00 65.43 C ATOM 1532 CD GLU A 101 -11.362 -12.845 -15.849 1.00 12.22 C ATOM 1533 OE1 GLU A 101 -11.690 -14.041 -15.991 1.00 25.43 O ATOM 1534 OE2 GLU A 101 -12.137 -11.970 -15.409 1.00 14.12 O ATOM 0 H GLU A 101 -7.844 -14.149 -15.010 1.00 73.32 H new ATOM 0 HA GLU A 101 -7.374 -13.983 -17.930 1.00 61.14 H new ATOM 0 HB2 GLU A 101 -9.497 -13.021 -18.234 1.00 63.20 H new ATOM 0 HB3 GLU A 101 -9.798 -14.359 -17.144 1.00 63.20 H new ATOM 0 HG2 GLU A 101 -9.339 -12.383 -15.331 1.00 65.43 H new ATOM 0 HG3 GLU A 101 -9.976 -11.429 -16.655 1.00 65.43 H new ATOM 1541 N PHE A 102 -6.409 -12.118 -15.665 1.00 12.22 N ATOM 1542 CA PHE A 102 -5.734 -10.878 -15.298 1.00 33.45 C ATOM 1543 C PHE A 102 -4.368 -10.783 -15.971 1.00 12.14 C ATOM 1544 O PHE A 102 -4.150 -9.935 -16.836 1.00 24.43 O ATOM 1545 CB PHE A 102 -5.574 -10.791 -13.778 1.00 52.14 C ATOM 1546 CG PHE A 102 -4.969 -9.497 -13.313 1.00 31.31 C ATOM 1547 CD1 PHE A 102 -5.722 -8.334 -13.288 1.00 70.43 C ATOM 1548 CD2 PHE A 102 -3.648 -9.444 -12.900 1.00 22.45 C ATOM 1549 CE1 PHE A 102 -5.167 -7.143 -12.861 1.00 54.33 C ATOM 1550 CE2 PHE A 102 -3.088 -8.256 -12.471 1.00 2.50 C ATOM 1551 CZ PHE A 102 -3.849 -7.103 -12.451 1.00 31.41 C ATOM 0 H PHE A 102 -6.255 -12.890 -15.017 1.00 12.22 H new ATOM 0 HA PHE A 102 -6.347 -10.044 -15.640 1.00 33.45 H new ATOM 0 HB2 PHE A 102 -6.551 -10.915 -13.310 1.00 52.14 H new ATOM 0 HB3 PHE A 102 -4.950 -11.618 -13.438 1.00 52.14 H new ATOM 0 HD1 PHE A 102 -6.754 -8.359 -13.606 1.00 70.43 H new ATOM 0 HD2 PHE A 102 -3.048 -10.342 -12.913 1.00 22.45 H new ATOM 0 HE1 PHE A 102 -5.764 -6.243 -12.848 1.00 54.33 H new ATOM 0 HE2 PHE A 102 -2.057 -8.229 -12.152 1.00 2.50 H new ATOM 0 HZ PHE A 102 -3.414 -6.173 -12.116 1.00 31.41 H new ATOM 1561 N GLN A 103 -3.453 -11.658 -15.566 1.00 13.02 N ATOM 1562 CA GLN A 103 -2.108 -11.672 -16.128 1.00 52.55 C ATOM 1563 C GLN A 103 -2.156 -11.688 -17.653 1.00 20.33 C ATOM 1564 O GLN A 103 -1.319 -11.076 -18.316 1.00 32.35 O ATOM 1565 CB GLN A 103 -1.331 -12.886 -15.617 1.00 50.23 C ATOM 1566 CG GLN A 103 -1.992 -14.214 -15.947 1.00 34.31 C ATOM 1567 CD GLN A 103 -2.019 -15.162 -14.764 1.00 72.21 C ATOM 1568 OE1 GLN A 103 -1.674 -16.338 -14.888 1.00 13.31 O ATOM 1569 NE2 GLN A 103 -2.430 -14.655 -13.608 1.00 11.23 N ATOM 0 H GLN A 103 -3.619 -12.366 -14.851 1.00 13.02 H new ATOM 0 HA GLN A 103 -1.598 -10.763 -15.808 1.00 52.55 H new ATOM 0 HB2 GLN A 103 -0.329 -12.872 -16.045 1.00 50.23 H new ATOM 0 HB3 GLN A 103 -1.217 -12.805 -14.536 1.00 50.23 H new ATOM 0 HG2 GLN A 103 -3.012 -14.033 -16.286 1.00 34.31 H new ATOM 0 HG3 GLN A 103 -1.460 -14.685 -16.773 1.00 34.31 H new ATOM 0 HE21 GLN A 103 -2.707 -13.675 -13.551 1.00 11.23 H new ATOM 0 HE22 GLN A 103 -2.469 -15.246 -12.777 1.00 11.23 H new ATOM 1578 N GLU A 104 -3.140 -12.393 -18.201 1.00 74.54 N ATOM 1579 CA GLU A 104 -3.295 -12.490 -19.648 1.00 74.31 C ATOM 1580 C GLU A 104 -3.402 -11.104 -20.278 1.00 24.31 C ATOM 1581 O GLU A 104 -2.957 -10.888 -21.405 1.00 13.52 O ATOM 1582 CB GLU A 104 -4.535 -13.317 -19.996 1.00 62.14 C ATOM 1583 CG GLU A 104 -5.839 -12.550 -19.851 1.00 24.43 C ATOM 1584 CD GLU A 104 -6.238 -11.831 -21.124 1.00 43.14 C ATOM 1585 OE1 GLU A 104 -6.267 -12.483 -22.189 1.00 75.20 O ATOM 1586 OE2 GLU A 104 -6.520 -10.616 -21.057 1.00 21.41 O ATOM 0 H GLU A 104 -3.841 -12.905 -17.666 1.00 74.54 H new ATOM 0 HA GLU A 104 -2.411 -12.986 -20.050 1.00 74.31 H new ATOM 0 HB2 GLU A 104 -4.446 -13.675 -21.022 1.00 62.14 H new ATOM 0 HB3 GLU A 104 -4.567 -14.196 -19.353 1.00 62.14 H new ATOM 0 HG2 GLU A 104 -6.632 -13.241 -19.564 1.00 24.43 H new ATOM 0 HG3 GLU A 104 -5.741 -11.824 -19.044 1.00 24.43 H new ATOM 1593 N MET A 105 -3.994 -10.170 -19.541 1.00 72.14 N ATOM 1594 CA MET A 105 -4.159 -8.805 -20.027 1.00 44.11 C ATOM 1595 C MET A 105 -2.863 -8.014 -19.875 1.00 60.24 C ATOM 1596 O MET A 105 -2.691 -6.961 -20.489 1.00 15.32 O ATOM 1597 CB MET A 105 -5.289 -8.104 -19.271 1.00 21.43 C ATOM 1598 CG MET A 105 -4.834 -7.430 -17.987 1.00 11.14 C ATOM 1599 SD MET A 105 -4.645 -5.646 -18.168 1.00 64.14 S ATOM 1600 CE MET A 105 -6.336 -5.158 -18.496 1.00 53.41 C ATOM 0 H MET A 105 -4.367 -10.333 -18.606 1.00 72.14 H new ATOM 0 HA MET A 105 -4.414 -8.851 -21.086 1.00 44.11 H new ATOM 0 HB2 MET A 105 -5.743 -7.357 -19.923 1.00 21.43 H new ATOM 0 HB3 MET A 105 -6.064 -8.833 -19.034 1.00 21.43 H new ATOM 0 HG2 MET A 105 -5.556 -7.637 -17.197 1.00 11.14 H new ATOM 0 HG3 MET A 105 -3.884 -7.862 -17.671 1.00 11.14 H new ATOM 0 HE1 MET A 105 -6.375 -4.579 -19.418 1.00 53.41 H new ATOM 0 HE2 MET A 105 -6.958 -6.047 -18.599 1.00 53.41 H new ATOM 0 HE3 MET A 105 -6.706 -4.551 -17.670 1.00 53.41 H new ATOM 1610 N VAL A 106 -1.953 -8.529 -19.054 1.00 14.00 N ATOM 1611 CA VAL A 106 -0.673 -7.871 -18.822 1.00 61.24 C ATOM 1612 C VAL A 106 0.320 -8.195 -19.933 1.00 21.21 C ATOM 1613 O VAL A 106 0.550 -7.383 -20.829 1.00 24.25 O ATOM 1614 CB VAL A 106 -0.066 -8.285 -17.469 1.00 22.51 C ATOM 1615 CG1 VAL A 106 1.142 -7.422 -17.138 1.00 54.52 C ATOM 1616 CG2 VAL A 106 -1.112 -8.199 -16.367 1.00 45.45 C ATOM 0 H VAL A 106 -2.079 -9.400 -18.538 1.00 14.00 H new ATOM 0 HA VAL A 106 -0.866 -6.798 -18.812 1.00 61.24 H new ATOM 0 HB VAL A 106 0.267 -9.320 -17.542 1.00 22.51 H new ATOM 0 HG11 VAL A 106 1.557 -7.730 -16.178 1.00 54.52 H new ATOM 0 HG12 VAL A 106 1.897 -7.540 -17.915 1.00 54.52 H new ATOM 0 HG13 VAL A 106 0.838 -6.377 -17.083 1.00 54.52 H new ATOM 0 HG21 VAL A 106 -0.666 -8.495 -15.418 1.00 45.45 H new ATOM 0 HG22 VAL A 106 -1.478 -7.175 -16.292 1.00 45.45 H new ATOM 0 HG23 VAL A 106 -1.942 -8.865 -16.601 1.00 45.45 H new ATOM 1626 N GLN A 107 0.905 -9.387 -19.867 1.00 74.13 N ATOM 1627 CA GLN A 107 1.874 -9.818 -20.868 1.00 34.20 C ATOM 1628 C GLN A 107 1.220 -9.941 -22.241 1.00 24.33 C ATOM 1629 O GLN A 107 1.841 -9.649 -23.263 1.00 21.33 O ATOM 1630 CB GLN A 107 2.495 -11.156 -20.464 1.00 32.33 C ATOM 1631 CG GLN A 107 3.079 -11.157 -19.060 1.00 42.54 C ATOM 1632 CD GLN A 107 2.608 -12.335 -18.232 1.00 71.41 C ATOM 1633 OE1 GLN A 107 3.407 -13.171 -17.809 1.00 63.24 O ATOM 1634 NE2 GLN A 107 1.303 -12.409 -17.995 1.00 44.11 N ATOM 0 H GLN A 107 0.725 -10.071 -19.132 1.00 74.13 H new ATOM 0 HA GLN A 107 2.659 -9.064 -20.926 1.00 34.20 H new ATOM 0 HB2 GLN A 107 1.736 -11.935 -20.533 1.00 32.33 H new ATOM 0 HB3 GLN A 107 3.280 -11.412 -21.175 1.00 32.33 H new ATOM 0 HG2 GLN A 107 4.167 -11.175 -19.123 1.00 42.54 H new ATOM 0 HG3 GLN A 107 2.804 -10.231 -18.556 1.00 42.54 H new ATOM 0 HE21 GLN A 107 0.676 -11.694 -18.365 1.00 44.11 H new ATOM 0 HE22 GLN A 107 0.928 -13.180 -17.443 1.00 44.11 H new ATOM 1643 N SER A 108 -0.036 -10.376 -22.256 1.00 64.01 N ATOM 1644 CA SER A 108 -0.772 -10.542 -23.504 1.00 2.02 C ATOM 1645 C SER A 108 -1.911 -9.532 -23.601 1.00 34.14 C ATOM 1646 O SER A 108 -2.515 -9.362 -24.659 1.00 22.13 O ATOM 1647 CB SER A 108 -1.325 -11.964 -23.609 1.00 34.34 C ATOM 1648 OG SER A 108 -1.206 -12.462 -24.930 1.00 53.21 O ATOM 0 H SER A 108 -0.565 -10.620 -21.419 1.00 64.01 H new ATOM 0 HA SER A 108 -0.083 -10.366 -24.330 1.00 2.02 H new ATOM 0 HB2 SER A 108 -0.789 -12.618 -22.921 1.00 34.34 H new ATOM 0 HB3 SER A 108 -2.372 -11.973 -23.307 1.00 34.34 H new ATOM 0 HG SER A 108 -1.565 -13.373 -24.970 1.00 53.21 H new TER 1654 SER A 108 HETATM 1655 CA CA A 109 -14.010 -9.172 -4.800 1.00 22.44 CA HETATM 1656 CA CA A 110 -14.121 -13.097 -15.433 1.00 30.41 CA