USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 843 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -105:sc= 0.0905 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.00476 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.004 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 19:sc= 1 USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= -0.0357 (180deg=-0.484) USER MOD Single : A 26 HIS : no HD1:sc= -4.29! C(o=-4.3!,f=-11!) USER MOD Single : A 31 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 40 GLN : amide:sc= -0.497 K(o=-0.5,f=-2.2) USER MOD Single : A 44 GLN : amide:sc= -0.756 K(o=-0.76,f=-2.6!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.658 USER MOD Single : A 60 MET CE :methyl 166:sc= -0.518 (180deg=-1.46!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 119:sc= 0.856 USER MOD Single : A 67 LYS NZ :NH3+ 165:sc= -0.0651 (180deg=-0.532) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.079) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.36) USER MOD Single : A 96 THR OG1 : rot -69:sc= 0.115 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.0414 X(o=-0.041,f=-0.52) USER MOD Single : A 104 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.23) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 40:sc= 0.397 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.112 -27.489 19.229 1.00 0.00 N ATOM 2 CA GLY A 1 5.187 -26.392 19.458 1.00 0.00 C ATOM 3 C GLY A 1 3.952 -26.521 18.563 1.00 0.00 C ATOM 4 O GLY A 1 3.965 -27.267 17.585 1.00 0.00 O ATOM 0 H1 GLY A 1 6.056 -28.161 20.021 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.862 -27.975 18.344 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.081 -27.117 19.158 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.883 -26.381 20.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.686 -25.443 19.261 1.00 0.00 H new ATOM 8 N SER A 2 2.915 -25.783 18.930 1.00 0.00 N ATOM 9 CA SER A 2 1.675 -25.805 18.173 1.00 0.00 C ATOM 10 C SER A 2 0.727 -24.721 18.689 1.00 0.00 C ATOM 11 O SER A 2 0.510 -24.604 19.894 1.00 0.00 O ATOM 12 CB SER A 2 1.005 -27.178 18.254 1.00 0.00 C ATOM 13 OG SER A 2 0.956 -27.671 19.590 1.00 0.00 O ATOM 0 H SER A 2 2.908 -25.166 19.742 1.00 0.00 H new ATOM 0 HA SER A 2 1.909 -25.606 17.127 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.007 -27.111 17.855 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.549 -27.884 17.627 1.00 0.00 H new ATOM 0 HG SER A 2 0.850 -26.921 20.212 1.00 0.00 H new ATOM 19 N SER A 3 0.188 -23.956 17.752 1.00 0.00 N ATOM 20 CA SER A 3 -0.732 -22.885 18.097 1.00 0.00 C ATOM 21 C SER A 3 -1.145 -22.124 16.836 1.00 0.00 C ATOM 22 O SER A 3 -0.514 -22.260 15.789 1.00 0.00 O ATOM 23 CB SER A 3 -0.107 -21.929 19.114 1.00 0.00 C ATOM 24 OG SER A 3 -1.005 -21.617 20.175 1.00 0.00 O ATOM 0 H SER A 3 0.371 -24.056 16.753 1.00 0.00 H new ATOM 0 HA SER A 3 -1.618 -23.328 18.552 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.798 -22.377 19.525 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.193 -21.010 18.611 1.00 0.00 H new ATOM 0 HG SER A 3 -0.568 -21.006 20.804 1.00 0.00 H new ATOM 30 N GLY A 4 -2.203 -21.339 16.978 1.00 0.00 N ATOM 31 CA GLY A 4 -2.708 -20.555 15.863 1.00 0.00 C ATOM 32 C GLY A 4 -3.988 -19.812 16.250 1.00 0.00 C ATOM 33 O GLY A 4 -4.469 -19.942 17.375 1.00 0.00 O ATOM 0 H GLY A 4 -2.724 -21.229 17.848 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.950 -19.839 15.544 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.906 -21.209 15.014 1.00 0.00 H new ATOM 37 N SER A 5 -4.504 -19.051 15.296 1.00 0.00 N ATOM 38 CA SER A 5 -5.720 -18.288 15.524 1.00 0.00 C ATOM 39 C SER A 5 -6.107 -17.529 14.252 1.00 0.00 C ATOM 40 O SER A 5 -5.350 -17.510 13.283 1.00 0.00 O ATOM 41 CB SER A 5 -5.549 -17.314 16.691 1.00 0.00 C ATOM 42 OG SER A 5 -4.417 -16.465 16.517 1.00 0.00 O ATOM 0 H SER A 5 -4.103 -18.946 14.364 1.00 0.00 H new ATOM 0 HA SER A 5 -6.518 -18.985 15.782 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.447 -16.705 16.789 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.442 -17.876 17.619 1.00 0.00 H new ATOM 0 HG SER A 5 -4.343 -15.857 17.282 1.00 0.00 H new ATOM 48 N SER A 6 -7.284 -16.923 14.298 1.00 0.00 N ATOM 49 CA SER A 6 -7.780 -16.165 13.163 1.00 0.00 C ATOM 50 C SER A 6 -9.125 -15.523 13.509 1.00 0.00 C ATOM 51 O SER A 6 -9.734 -15.858 14.524 1.00 0.00 O ATOM 52 CB SER A 6 -7.921 -17.055 11.926 1.00 0.00 C ATOM 53 OG SER A 6 -8.093 -16.291 10.735 1.00 0.00 O ATOM 0 H SER A 6 -7.909 -16.942 15.104 1.00 0.00 H new ATOM 0 HA SER A 6 -7.058 -15.381 12.934 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.036 -17.683 11.829 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.773 -17.722 12.055 1.00 0.00 H new ATOM 0 HG SER A 6 -8.177 -16.895 9.968 1.00 0.00 H new ATOM 59 N GLY A 7 -9.548 -14.610 12.647 1.00 0.00 N ATOM 60 CA GLY A 7 -10.809 -13.917 12.850 1.00 0.00 C ATOM 61 C GLY A 7 -11.948 -14.624 12.111 1.00 0.00 C ATOM 62 O GLY A 7 -11.869 -15.821 11.842 1.00 0.00 O ATOM 0 H GLY A 7 -9.040 -14.334 11.807 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.035 -13.871 13.915 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.724 -12.889 12.497 1.00 0.00 H new ATOM 66 N ALA A 8 -12.980 -13.851 11.803 1.00 0.00 N ATOM 67 CA ALA A 8 -14.132 -14.388 11.100 1.00 0.00 C ATOM 68 C ALA A 8 -14.924 -13.238 10.475 1.00 0.00 C ATOM 69 O ALA A 8 -16.041 -12.946 10.898 1.00 0.00 O ATOM 70 CB ALA A 8 -14.978 -15.220 12.067 1.00 0.00 C ATOM 0 H ALA A 8 -13.042 -12.858 12.028 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.815 -15.048 10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.843 -15.623 11.540 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.379 -16.040 12.461 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.316 -14.590 12.889 1.00 0.00 H new ATOM 76 N PRO A 9 -14.297 -12.599 9.450 1.00 0.00 N ATOM 77 CA PRO A 9 -14.931 -11.487 8.762 1.00 0.00 C ATOM 78 C PRO A 9 -16.035 -11.980 7.825 1.00 0.00 C ATOM 79 O PRO A 9 -16.477 -13.123 7.928 1.00 0.00 O ATOM 80 CB PRO A 9 -13.801 -10.783 8.030 1.00 0.00 C ATOM 81 CG PRO A 9 -12.662 -11.787 7.955 1.00 0.00 C ATOM 82 CD PRO A 9 -12.974 -12.918 8.922 1.00 0.00 C ATOM 0 HA PRO A 9 -15.434 -10.802 9.444 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.115 -10.474 7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.493 -9.882 8.561 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.557 -12.170 6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.716 -11.312 8.216 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.972 -13.884 8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.232 -12.974 9.719 1.00 0.00 H new ATOM 90 N ALA A 10 -16.449 -11.093 6.932 1.00 0.00 N ATOM 91 CA ALA A 10 -17.493 -11.423 5.978 1.00 0.00 C ATOM 92 C ALA A 10 -17.607 -10.301 4.944 1.00 0.00 C ATOM 93 O ALA A 10 -18.562 -9.527 4.965 1.00 0.00 O ATOM 94 CB ALA A 10 -18.808 -11.664 6.722 1.00 0.00 C ATOM 0 H ALA A 10 -16.080 -10.146 6.849 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.247 -12.341 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.591 -11.912 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.683 -12.489 7.423 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.087 -10.763 7.268 1.00 0.00 H new ATOM 100 N GLU A 11 -16.618 -10.249 4.063 1.00 0.00 N ATOM 101 CA GLU A 11 -16.594 -9.234 3.023 1.00 0.00 C ATOM 102 C GLU A 11 -15.867 -9.761 1.785 1.00 0.00 C ATOM 103 O GLU A 11 -14.790 -10.345 1.894 1.00 0.00 O ATOM 104 CB GLU A 11 -15.949 -7.943 3.531 1.00 0.00 C ATOM 105 CG GLU A 11 -16.921 -6.767 3.428 1.00 0.00 C ATOM 106 CD GLU A 11 -16.173 -5.433 3.465 1.00 0.00 C ATOM 107 OE1 GLU A 11 -14.996 -5.430 3.045 1.00 0.00 O ATOM 108 OE2 GLU A 11 -16.796 -4.445 3.912 1.00 0.00 O ATOM 0 H GLU A 11 -15.828 -10.893 4.048 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.622 -9.001 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.637 -8.072 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.051 -7.729 2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -17.492 -6.842 2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.637 -6.809 4.249 1.00 0.00 H new ATOM 115 N PRO A 12 -16.501 -9.529 0.604 1.00 0.00 N ATOM 116 CA PRO A 12 -15.926 -9.974 -0.654 1.00 0.00 C ATOM 117 C PRO A 12 -14.755 -9.080 -1.068 1.00 0.00 C ATOM 118 O PRO A 12 -14.352 -8.192 -0.318 1.00 0.00 O ATOM 119 CB PRO A 12 -17.077 -9.941 -1.646 1.00 0.00 C ATOM 120 CG PRO A 12 -18.136 -9.043 -1.027 1.00 0.00 C ATOM 121 CD PRO A 12 -17.777 -8.840 0.436 1.00 0.00 C ATOM 0 HA PRO A 12 -15.500 -10.975 -0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -16.750 -9.552 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.469 -10.943 -1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.176 -8.086 -1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -19.123 -9.497 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.690 -7.781 0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -18.541 -9.256 1.093 1.00 0.00 H new ATOM 129 N ALA A 13 -14.242 -9.346 -2.260 1.00 0.00 N ATOM 130 CA ALA A 13 -13.125 -8.577 -2.782 1.00 0.00 C ATOM 131 C ALA A 13 -12.824 -9.029 -4.213 1.00 0.00 C ATOM 132 O ALA A 13 -13.512 -9.896 -4.751 1.00 0.00 O ATOM 133 CB ALA A 13 -11.918 -8.734 -1.855 1.00 0.00 C ATOM 0 H ALA A 13 -14.579 -10.083 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.373 -7.516 -2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.081 -8.157 -2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.174 -8.371 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.638 -9.786 -1.797 1.00 0.00 H new ATOM 139 N ALA A 14 -11.797 -8.422 -4.788 1.00 0.00 N ATOM 140 CA ALA A 14 -11.397 -8.751 -6.145 1.00 0.00 C ATOM 141 C ALA A 14 -9.899 -8.485 -6.310 1.00 0.00 C ATOM 142 O ALA A 14 -9.341 -7.620 -5.637 1.00 0.00 O ATOM 143 CB ALA A 14 -12.244 -7.950 -7.136 1.00 0.00 C ATOM 0 H ALA A 14 -11.229 -7.704 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.568 -9.808 -6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.944 -8.197 -8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.297 -8.197 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.096 -6.884 -6.963 1.00 0.00 H new ATOM 149 N PRO A 15 -9.275 -9.266 -7.232 1.00 0.00 N ATOM 150 CA PRO A 15 -7.853 -9.123 -7.494 1.00 0.00 C ATOM 151 C PRO A 15 -7.570 -7.864 -8.317 1.00 0.00 C ATOM 152 O PRO A 15 -8.495 -7.156 -8.712 1.00 0.00 O ATOM 153 CB PRO A 15 -7.454 -10.403 -8.210 1.00 0.00 C ATOM 154 CG PRO A 15 -8.746 -11.007 -8.735 1.00 0.00 C ATOM 155 CD PRO A 15 -9.904 -10.301 -8.047 1.00 0.00 C ATOM 0 HA PRO A 15 -7.269 -8.993 -6.583 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.761 -10.195 -9.025 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.950 -11.090 -7.530 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.813 -10.885 -9.816 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.777 -12.078 -8.532 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -10.592 -9.869 -8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.481 -10.993 -7.433 1.00 0.00 H new ATOM 163 N LYS A 16 -6.289 -7.624 -8.551 1.00 0.00 N ATOM 164 CA LYS A 16 -5.873 -6.463 -9.319 1.00 0.00 C ATOM 165 C LYS A 16 -4.403 -6.620 -9.716 1.00 0.00 C ATOM 166 O LYS A 16 -3.596 -7.122 -8.936 1.00 0.00 O ATOM 167 CB LYS A 16 -6.168 -5.176 -8.547 1.00 0.00 C ATOM 168 CG LYS A 16 -7.566 -4.647 -8.876 1.00 0.00 C ATOM 169 CD LYS A 16 -7.516 -3.167 -9.259 1.00 0.00 C ATOM 170 CE LYS A 16 -8.799 -2.743 -9.976 1.00 0.00 C ATOM 171 NZ LYS A 16 -9.340 -1.501 -9.381 1.00 0.00 N ATOM 0 H LYS A 16 -5.525 -8.214 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.447 -6.391 -10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.089 -5.364 -7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.422 -4.421 -8.794 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.993 -5.224 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.221 -4.782 -8.016 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.378 -2.560 -8.364 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.657 -2.983 -9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.596 -2.587 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.541 -3.539 -9.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.211 -1.228 -9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.553 -1.662 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.637 -0.739 -9.469 1.00 0.00 H new ATOM 185 N SER A 17 -4.101 -6.180 -10.929 1.00 0.00 N ATOM 186 CA SER A 17 -2.743 -6.265 -11.439 1.00 0.00 C ATOM 187 C SER A 17 -2.568 -5.309 -12.621 1.00 0.00 C ATOM 188 O SER A 17 -3.548 -4.815 -13.175 1.00 0.00 O ATOM 189 CB SER A 17 -2.400 -7.696 -11.858 1.00 0.00 C ATOM 190 OG SER A 17 -3.421 -8.274 -12.668 1.00 0.00 O ATOM 0 H SER A 17 -4.773 -5.764 -11.573 1.00 0.00 H new ATOM 0 HA SER A 17 -2.059 -5.976 -10.641 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.458 -7.697 -12.406 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.252 -8.309 -10.969 1.00 0.00 H new ATOM 0 HG SER A 17 -3.164 -9.187 -12.916 1.00 0.00 H new ATOM 196 N GLY A 18 -1.311 -5.078 -12.973 1.00 0.00 N ATOM 197 CA GLY A 18 -0.995 -4.191 -14.079 1.00 0.00 C ATOM 198 C GLY A 18 0.352 -3.498 -13.858 1.00 0.00 C ATOM 199 O GLY A 18 0.421 -2.272 -13.801 1.00 0.00 O ATOM 0 H GLY A 18 -0.500 -5.490 -12.511 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.968 -4.759 -15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -1.780 -3.442 -14.185 1.00 0.00 H new ATOM 203 N GLU A 19 1.389 -4.315 -13.740 1.00 0.00 N ATOM 204 CA GLU A 19 2.729 -3.796 -13.526 1.00 0.00 C ATOM 205 C GLU A 19 3.450 -3.621 -14.865 1.00 0.00 C ATOM 206 O GLU A 19 3.390 -4.498 -15.725 1.00 0.00 O ATOM 207 CB GLU A 19 3.526 -4.705 -12.589 1.00 0.00 C ATOM 208 CG GLU A 19 3.458 -6.162 -13.050 1.00 0.00 C ATOM 209 CD GLU A 19 2.391 -6.935 -12.272 1.00 0.00 C ATOM 210 OE1 GLU A 19 2.575 -7.076 -11.043 1.00 0.00 O ATOM 211 OE2 GLU A 19 1.415 -7.366 -12.923 1.00 0.00 O ATOM 0 H GLU A 19 1.328 -5.332 -13.789 1.00 0.00 H new ATOM 0 HA GLU A 19 2.648 -2.820 -13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.565 -4.378 -12.557 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.134 -4.622 -11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.234 -6.200 -14.116 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.429 -6.637 -12.911 1.00 0.00 H new ATOM 218 N ALA A 20 4.114 -2.483 -14.998 1.00 0.00 N ATOM 219 CA ALA A 20 4.845 -2.182 -16.217 1.00 0.00 C ATOM 220 C ALA A 20 5.381 -0.750 -16.146 1.00 0.00 C ATOM 221 O ALA A 20 5.242 -0.083 -15.122 1.00 0.00 O ATOM 222 CB ALA A 20 3.935 -2.404 -17.427 1.00 0.00 C ATOM 0 H ALA A 20 4.161 -1.758 -14.282 1.00 0.00 H new ATOM 0 HA ALA A 20 5.700 -2.849 -16.325 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.484 -2.178 -18.341 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.606 -3.443 -17.449 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.066 -1.749 -17.354 1.00 0.00 H new ATOM 228 N GLU A 21 5.981 -0.321 -17.246 1.00 0.00 N ATOM 229 CA GLU A 21 6.538 1.019 -17.321 1.00 0.00 C ATOM 230 C GLU A 21 5.562 2.033 -16.722 1.00 0.00 C ATOM 231 O GLU A 21 4.538 2.347 -17.327 1.00 0.00 O ATOM 232 CB GLU A 21 6.893 1.385 -18.763 1.00 0.00 C ATOM 233 CG GLU A 21 5.762 1.003 -19.720 1.00 0.00 C ATOM 234 CD GLU A 21 5.142 2.247 -20.359 1.00 0.00 C ATOM 235 OE1 GLU A 21 5.662 2.661 -21.418 1.00 0.00 O ATOM 236 OE2 GLU A 21 4.160 2.756 -19.775 1.00 0.00 O ATOM 0 H GLU A 21 6.094 -0.878 -18.093 1.00 0.00 H new ATOM 0 HA GLU A 21 7.459 1.042 -16.738 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.087 2.455 -18.833 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.810 0.874 -19.056 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.146 0.343 -20.498 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.996 0.447 -19.180 1.00 0.00 H new ATOM 243 N THR A 22 5.913 2.519 -15.540 1.00 0.00 N ATOM 244 CA THR A 22 5.081 3.491 -14.853 1.00 0.00 C ATOM 245 C THR A 22 5.890 4.222 -13.780 1.00 0.00 C ATOM 246 O THR A 22 6.626 3.596 -13.018 1.00 0.00 O ATOM 247 CB THR A 22 3.858 2.759 -14.298 1.00 0.00 C ATOM 248 OG1 THR A 22 2.934 2.754 -15.383 1.00 0.00 O ATOM 249 CG2 THR A 22 3.144 3.556 -13.205 1.00 0.00 C ATOM 0 H THR A 22 6.763 2.257 -15.041 1.00 0.00 H new ATOM 0 HA THR A 22 4.732 4.265 -15.536 1.00 0.00 H new ATOM 0 HB THR A 22 4.164 1.792 -13.900 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.412 2.926 -16.221 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.284 2.991 -12.846 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.831 3.736 -12.378 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.808 4.510 -13.611 1.00 0.00 H new ATOM 257 N PRO A 23 5.723 5.572 -13.753 1.00 0.00 N ATOM 258 CA PRO A 23 6.430 6.394 -12.786 1.00 0.00 C ATOM 259 C PRO A 23 5.812 6.256 -11.393 1.00 0.00 C ATOM 260 O PRO A 23 4.689 5.773 -11.254 1.00 0.00 O ATOM 261 CB PRO A 23 6.344 7.809 -13.336 1.00 0.00 C ATOM 262 CG PRO A 23 5.204 7.797 -14.340 1.00 0.00 C ATOM 263 CD PRO A 23 4.861 6.347 -14.640 1.00 0.00 C ATOM 0 HA PRO A 23 7.470 6.093 -12.658 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.154 8.527 -12.538 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.280 8.101 -13.812 1.00 0.00 H new ATOM 0 HG2 PRO A 23 4.336 8.319 -13.938 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.494 8.317 -15.253 1.00 0.00 H new ATOM 0 HD2 PRO A 23 3.808 6.141 -14.448 1.00 0.00 H new ATOM 0 HD3 PRO A 23 5.048 6.104 -15.686 1.00 0.00 H new ATOM 271 N PRO A 24 6.592 6.699 -10.371 1.00 0.00 N ATOM 272 CA PRO A 24 6.133 6.629 -8.994 1.00 0.00 C ATOM 273 C PRO A 24 5.087 7.709 -8.710 1.00 0.00 C ATOM 274 O PRO A 24 5.162 8.809 -9.254 1.00 0.00 O ATOM 275 CB PRO A 24 7.389 6.782 -8.153 1.00 0.00 C ATOM 276 CG PRO A 24 8.434 7.395 -9.071 1.00 0.00 C ATOM 277 CD PRO A 24 7.927 7.276 -10.499 1.00 0.00 C ATOM 0 HA PRO A 24 5.629 5.690 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.205 7.421 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.723 5.817 -7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.604 8.440 -8.812 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.388 6.880 -8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.893 8.249 -10.989 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.578 6.640 -11.099 1.00 0.00 H new ATOM 285 N LYS A 25 4.136 7.356 -7.857 1.00 0.00 N ATOM 286 CA LYS A 25 3.077 8.282 -7.493 1.00 0.00 C ATOM 287 C LYS A 25 3.287 8.750 -6.052 1.00 0.00 C ATOM 288 O LYS A 25 4.076 9.661 -5.801 1.00 0.00 O ATOM 289 CB LYS A 25 1.705 7.649 -7.740 1.00 0.00 C ATOM 290 CG LYS A 25 1.832 6.145 -7.989 1.00 0.00 C ATOM 291 CD LYS A 25 2.049 5.388 -6.677 1.00 0.00 C ATOM 292 CE LYS A 25 0.757 5.328 -5.859 1.00 0.00 C ATOM 293 NZ LYS A 25 -0.232 4.445 -6.516 1.00 0.00 N ATOM 0 H LYS A 25 4.077 6.442 -7.408 1.00 0.00 H new ATOM 0 HA LYS A 25 3.113 9.169 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.059 7.826 -6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.230 8.125 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.931 5.777 -8.481 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.665 5.954 -8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.397 4.377 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.830 5.878 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.972 4.960 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.342 6.330 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.088 4.990 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.175 4.060 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.478 3.663 -5.876 1.00 0.00 H new ATOM 307 N HIS A 26 2.569 8.108 -5.143 1.00 0.00 N ATOM 308 CA HIS A 26 2.667 8.448 -3.734 1.00 0.00 C ATOM 309 C HIS A 26 3.348 7.306 -2.977 1.00 0.00 C ATOM 310 O HIS A 26 3.082 6.135 -3.241 1.00 0.00 O ATOM 311 CB HIS A 26 1.292 8.800 -3.163 1.00 0.00 C ATOM 312 CG HIS A 26 1.340 9.440 -1.796 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.495 8.708 -0.631 1.00 0.00 N ATOM 314 CD2 HIS A 26 1.254 10.748 -1.420 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.499 9.548 0.393 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.349 10.812 -0.098 1.00 0.00 N ATOM 0 H HIS A 26 1.916 7.353 -5.355 1.00 0.00 H new ATOM 0 HA HIS A 26 3.285 9.338 -3.613 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.786 9.476 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.690 7.893 -3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.130 11.589 -2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.603 9.279 1.434 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.315 11.666 0.459 1.00 0.00 H new ATOM 324 N PRO A 27 4.238 7.698 -2.026 1.00 0.00 N ATOM 325 CA PRO A 27 4.960 6.721 -1.229 1.00 0.00 C ATOM 326 C PRO A 27 4.049 6.097 -0.169 1.00 0.00 C ATOM 327 O PRO A 27 4.162 4.909 0.130 1.00 0.00 O ATOM 328 CB PRO A 27 6.129 7.487 -0.631 1.00 0.00 C ATOM 329 CG PRO A 27 5.760 8.958 -0.736 1.00 0.00 C ATOM 330 CD PRO A 27 4.580 9.076 -1.686 1.00 0.00 C ATOM 0 HA PRO A 27 5.315 5.876 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.295 7.199 0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.052 7.276 -1.172 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.502 9.358 0.245 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.606 9.538 -1.104 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.741 9.587 -1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.843 9.649 -2.575 1.00 0.00 H new ATOM 338 N GLY A 28 3.168 6.927 0.370 1.00 0.00 N ATOM 339 CA GLY A 28 2.238 6.471 1.389 1.00 0.00 C ATOM 340 C GLY A 28 1.378 5.317 0.871 1.00 0.00 C ATOM 341 O GLY A 28 1.017 4.418 1.629 1.00 0.00 O ATOM 0 H GLY A 28 3.079 7.912 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.790 6.150 2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.597 7.297 1.697 1.00 0.00 H new ATOM 345 N VAL A 29 1.073 5.380 -0.417 1.00 0.00 N ATOM 346 CA VAL A 29 0.262 4.352 -1.045 1.00 0.00 C ATOM 347 C VAL A 29 1.116 3.104 -1.275 1.00 0.00 C ATOM 348 O VAL A 29 0.778 2.020 -0.801 1.00 0.00 O ATOM 349 CB VAL A 29 -0.365 4.893 -2.332 1.00 0.00 C ATOM 350 CG1 VAL A 29 -1.118 3.791 -3.080 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.282 6.082 -2.038 1.00 0.00 C ATOM 0 H VAL A 29 1.373 6.128 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.563 4.066 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 29 0.442 5.244 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.554 4.202 -3.991 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.427 2.989 -3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.911 3.396 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.714 6.447 -2.970 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.081 5.768 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.705 6.879 -1.569 1.00 0.00 H new ATOM 361 N LEU A 30 2.207 3.298 -2.002 1.00 0.00 N ATOM 362 CA LEU A 30 3.112 2.201 -2.300 1.00 0.00 C ATOM 363 C LEU A 30 3.334 1.370 -1.035 1.00 0.00 C ATOM 364 O LEU A 30 3.452 0.148 -1.104 1.00 0.00 O ATOM 365 CB LEU A 30 4.406 2.729 -2.924 1.00 0.00 C ATOM 366 CG LEU A 30 4.245 3.567 -4.194 1.00 0.00 C ATOM 367 CD1 LEU A 30 5.367 4.600 -4.316 1.00 0.00 C ATOM 368 CD2 LEU A 30 4.153 2.673 -5.432 1.00 0.00 C ATOM 0 H LEU A 30 2.484 4.198 -2.393 1.00 0.00 H new ATOM 0 HA LEU A 30 2.673 1.537 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.926 3.331 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.049 1.879 -3.152 1.00 0.00 H new ATOM 0 HG LEU A 30 3.307 4.118 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.228 5.182 -5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.344 5.266 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.329 4.089 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.039 3.293 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.062 2.077 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.293 2.010 -5.339 1.00 0.00 H new ATOM 380 N LYS A 31 3.385 2.067 0.091 1.00 0.00 N ATOM 381 CA LYS A 31 3.591 1.408 1.370 1.00 0.00 C ATOM 382 C LYS A 31 2.685 0.179 1.457 1.00 0.00 C ATOM 383 O LYS A 31 3.022 -0.799 2.122 1.00 0.00 O ATOM 384 CB LYS A 31 3.396 2.399 2.520 1.00 0.00 C ATOM 385 CG LYS A 31 4.641 2.461 3.406 1.00 0.00 C ATOM 386 CD LYS A 31 4.846 3.871 3.966 1.00 0.00 C ATOM 387 CE LYS A 31 6.263 4.042 4.517 1.00 0.00 C ATOM 388 NZ LYS A 31 6.600 5.477 4.642 1.00 0.00 N ATOM 0 H LYS A 31 3.287 3.081 0.144 1.00 0.00 H new ATOM 0 HA LYS A 31 4.618 1.054 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.181 3.389 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.534 2.103 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.543 1.750 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.517 2.164 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.665 4.607 3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.119 4.062 4.756 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.342 3.558 5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.978 3.550 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.565 5.576 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.544 5.929 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.928 5.936 5.290 1.00 0.00 H new ATOM 402 N VAL A 32 1.552 0.268 0.775 1.00 0.00 N ATOM 403 CA VAL A 32 0.595 -0.825 0.767 1.00 0.00 C ATOM 404 C VAL A 32 0.952 -1.802 -0.354 1.00 0.00 C ATOM 405 O VAL A 32 0.978 -3.013 -0.143 1.00 0.00 O ATOM 406 CB VAL A 32 -0.828 -0.274 0.650 1.00 0.00 C ATOM 407 CG1 VAL A 32 -0.941 1.098 1.316 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.272 -0.212 -0.813 1.00 0.00 C ATOM 0 H VAL A 32 1.276 1.081 0.224 1.00 0.00 H new ATOM 0 HA VAL A 32 0.639 -1.378 1.705 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.496 -0.957 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.962 1.467 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.686 1.012 2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.256 1.795 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.286 0.183 -0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.598 0.439 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.248 -1.213 -1.243 1.00 0.00 H new ATOM 418 N GLU A 33 1.220 -1.239 -1.524 1.00 0.00 N ATOM 419 CA GLU A 33 1.575 -2.045 -2.679 1.00 0.00 C ATOM 420 C GLU A 33 2.785 -2.925 -2.361 1.00 0.00 C ATOM 421 O GLU A 33 2.897 -4.040 -2.868 1.00 0.00 O ATOM 422 CB GLU A 33 1.843 -1.164 -3.901 1.00 0.00 C ATOM 423 CG GLU A 33 0.592 -0.376 -4.294 1.00 0.00 C ATOM 424 CD GLU A 33 0.407 -0.364 -5.813 1.00 0.00 C ATOM 425 OE1 GLU A 33 1.429 -0.181 -6.508 1.00 0.00 O ATOM 426 OE2 GLU A 33 -0.754 -0.539 -6.245 1.00 0.00 O ATOM 0 H GLU A 33 1.198 -0.234 -1.696 1.00 0.00 H new ATOM 0 HA GLU A 33 0.732 -2.694 -2.918 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.659 -0.474 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.164 -1.784 -4.738 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.285 -0.818 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.671 0.647 -3.925 1.00 0.00 H new ATOM 433 N ALA A 34 3.661 -2.390 -1.523 1.00 0.00 N ATOM 434 CA ALA A 34 4.859 -3.113 -1.131 1.00 0.00 C ATOM 435 C ALA A 34 4.467 -4.312 -0.267 1.00 0.00 C ATOM 436 O ALA A 34 5.125 -5.350 -0.303 1.00 0.00 O ATOM 437 CB ALA A 34 5.816 -2.162 -0.409 1.00 0.00 C ATOM 0 H ALA A 34 3.565 -1.465 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 34 5.380 -3.496 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.715 -2.704 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.088 -1.344 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.328 -1.760 0.479 1.00 0.00 H new ATOM 443 N ILE A 35 3.395 -4.130 0.491 1.00 0.00 N ATOM 444 CA ILE A 35 2.906 -5.184 1.363 1.00 0.00 C ATOM 445 C ILE A 35 2.057 -6.162 0.548 1.00 0.00 C ATOM 446 O ILE A 35 2.316 -7.364 0.548 1.00 0.00 O ATOM 447 CB ILE A 35 2.173 -4.588 2.566 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.152 -3.895 3.517 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.335 -5.650 3.280 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.472 -2.744 4.260 1.00 0.00 C ATOM 0 H ILE A 35 2.851 -3.267 0.519 1.00 0.00 H new ATOM 0 HA ILE A 35 3.739 -5.753 1.777 1.00 0.00 H new ATOM 0 HB ILE A 35 1.484 -3.826 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.540 -4.617 4.235 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.005 -3.516 2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.825 -5.199 4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.597 -6.057 2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.985 -6.452 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.189 -2.269 4.929 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.107 -2.012 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.635 -3.130 4.841 1.00 0.00 H new ATOM 462 N LEU A 36 1.060 -5.609 -0.128 1.00 0.00 N ATOM 463 CA LEU A 36 0.172 -6.417 -0.945 1.00 0.00 C ATOM 464 C LEU A 36 0.998 -7.423 -1.748 1.00 0.00 C ATOM 465 O LEU A 36 0.573 -8.560 -1.951 1.00 0.00 O ATOM 466 CB LEU A 36 -0.720 -5.524 -1.811 1.00 0.00 C ATOM 467 CG LEU A 36 -2.088 -5.171 -1.223 1.00 0.00 C ATOM 468 CD1 LEU A 36 -2.964 -4.463 -2.258 1.00 0.00 C ATOM 469 CD2 LEU A 36 -2.773 -6.410 -0.644 1.00 0.00 C ATOM 0 H LEU A 36 0.848 -4.611 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.507 -6.992 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.184 -4.597 -2.015 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.875 -6.020 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.935 -4.474 -0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.930 -4.223 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.475 -3.544 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.112 -5.117 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.743 -6.131 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.912 -7.150 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.152 -6.833 0.146 1.00 0.00 H new ATOM 481 N GLU A 37 2.165 -6.970 -2.183 1.00 0.00 N ATOM 482 CA GLU A 37 3.055 -7.816 -2.959 1.00 0.00 C ATOM 483 C GLU A 37 3.260 -9.158 -2.254 1.00 0.00 C ATOM 484 O GLU A 37 3.330 -10.201 -2.903 1.00 0.00 O ATOM 485 CB GLU A 37 4.393 -7.119 -3.211 1.00 0.00 C ATOM 486 CG GLU A 37 5.387 -7.416 -2.087 1.00 0.00 C ATOM 487 CD GLU A 37 6.042 -8.785 -2.282 1.00 0.00 C ATOM 488 OE1 GLU A 37 5.642 -9.474 -3.245 1.00 0.00 O ATOM 489 OE2 GLU A 37 6.929 -9.112 -1.463 1.00 0.00 O ATOM 0 H GLU A 37 2.515 -6.027 -2.012 1.00 0.00 H new ATOM 0 HA GLU A 37 2.593 -8.004 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.806 -7.451 -4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.237 -6.043 -3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.154 -6.642 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.874 -7.388 -1.126 1.00 0.00 H new ATOM 496 N LYS A 38 3.351 -9.089 -0.934 1.00 0.00 N ATOM 497 CA LYS A 38 3.547 -10.285 -0.133 1.00 0.00 C ATOM 498 C LYS A 38 2.247 -11.093 -0.104 1.00 0.00 C ATOM 499 O LYS A 38 2.258 -12.301 -0.335 1.00 0.00 O ATOM 500 CB LYS A 38 4.075 -9.920 1.256 1.00 0.00 C ATOM 501 CG LYS A 38 5.508 -9.389 1.175 1.00 0.00 C ATOM 502 CD LYS A 38 5.850 -8.546 2.405 1.00 0.00 C ATOM 503 CE LYS A 38 7.235 -7.910 2.266 1.00 0.00 C ATOM 504 NZ LYS A 38 7.985 -8.018 3.537 1.00 0.00 N ATOM 0 H LYS A 38 3.293 -8.223 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 38 4.310 -10.922 -0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.429 -9.167 1.708 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.044 -10.797 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.205 -10.223 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.627 -8.788 0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.099 -7.767 2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.821 -9.170 3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.789 -8.402 1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.134 -6.862 1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.922 -7.582 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.463 -7.528 4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.098 -9.021 3.789 1.00 0.00 H new ATOM 518 N VAL A 39 1.160 -10.392 0.182 1.00 0.00 N ATOM 519 CA VAL A 39 -0.145 -11.029 0.245 1.00 0.00 C ATOM 520 C VAL A 39 -0.327 -11.931 -0.978 1.00 0.00 C ATOM 521 O VAL A 39 -0.922 -13.003 -0.880 1.00 0.00 O ATOM 522 CB VAL A 39 -1.240 -9.967 0.373 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.628 -10.611 0.394 1.00 0.00 C ATOM 524 CG2 VAL A 39 -1.019 -9.099 1.612 1.00 0.00 C ATOM 0 H VAL A 39 1.156 -9.390 0.373 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.219 -11.662 1.130 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.184 -9.320 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.388 -9.835 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.786 -11.166 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.700 -11.292 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.811 -8.353 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.035 -9.726 2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.054 -8.598 1.538 1.00 0.00 H new ATOM 534 N GLN A 40 0.197 -11.463 -2.101 1.00 0.00 N ATOM 535 CA GLN A 40 0.100 -12.214 -3.342 1.00 0.00 C ATOM 536 C GLN A 40 0.723 -13.601 -3.172 1.00 0.00 C ATOM 537 O GLN A 40 0.291 -14.561 -3.808 1.00 0.00 O ATOM 538 CB GLN A 40 0.758 -11.455 -4.495 1.00 0.00 C ATOM 539 CG GLN A 40 -0.246 -10.531 -5.188 1.00 0.00 C ATOM 540 CD GLN A 40 -0.949 -11.251 -6.341 1.00 0.00 C ATOM 541 OE1 GLN A 40 -1.176 -12.449 -6.312 1.00 0.00 O ATOM 542 NE2 GLN A 40 -1.278 -10.456 -7.354 1.00 0.00 N ATOM 0 H GLN A 40 0.690 -10.573 -2.178 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.955 -12.338 -3.588 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.596 -10.869 -4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.164 -12.164 -5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.986 -10.185 -4.466 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.268 -9.647 -5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.058 -9.461 -7.313 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.750 -10.841 -8.172 1.00 0.00 H new ATOM 551 N GLY A 41 1.728 -13.662 -2.311 1.00 0.00 N ATOM 552 CA GLY A 41 2.415 -14.916 -2.050 1.00 0.00 C ATOM 553 C GLY A 41 1.561 -15.837 -1.176 1.00 0.00 C ATOM 554 O GLY A 41 1.715 -17.057 -1.217 1.00 0.00 O ATOM 0 H GLY A 41 2.083 -12.864 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.644 -15.413 -2.993 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.366 -14.718 -1.555 1.00 0.00 H new ATOM 558 N LEU A 42 0.680 -15.218 -0.404 1.00 0.00 N ATOM 559 CA LEU A 42 -0.198 -15.966 0.479 1.00 0.00 C ATOM 560 C LEU A 42 -1.529 -16.223 -0.230 1.00 0.00 C ATOM 561 O LEU A 42 -2.149 -17.267 -0.035 1.00 0.00 O ATOM 562 CB LEU A 42 -0.345 -15.249 1.822 1.00 0.00 C ATOM 563 CG LEU A 42 0.959 -14.849 2.515 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.857 -16.067 2.739 1.00 0.00 C ATOM 565 CD2 LEU A 42 1.676 -13.743 1.738 1.00 0.00 C ATOM 0 H LEU A 42 0.555 -14.206 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 42 0.234 -16.940 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.942 -14.350 1.668 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.908 -15.894 2.496 1.00 0.00 H new ATOM 0 HG LEU A 42 0.714 -14.445 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.777 -15.755 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.337 -16.792 3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.098 -16.523 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.600 -13.477 2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.908 -14.096 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.031 -12.866 1.674 1.00 0.00 H new ATOM 577 N GLU A 43 -1.929 -15.252 -1.038 1.00 0.00 N ATOM 578 CA GLU A 43 -3.176 -15.359 -1.777 1.00 0.00 C ATOM 579 C GLU A 43 -3.059 -16.433 -2.861 1.00 0.00 C ATOM 580 O GLU A 43 -4.001 -17.189 -3.095 1.00 0.00 O ATOM 581 CB GLU A 43 -3.573 -14.011 -2.381 1.00 0.00 C ATOM 582 CG GLU A 43 -4.631 -14.189 -3.473 1.00 0.00 C ATOM 583 CD GLU A 43 -4.059 -13.848 -4.850 1.00 0.00 C ATOM 584 OE1 GLU A 43 -2.820 -13.934 -4.988 1.00 0.00 O ATOM 585 OE2 GLU A 43 -4.875 -13.510 -5.735 1.00 0.00 O ATOM 0 H GLU A 43 -1.412 -14.387 -1.197 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.963 -15.654 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.959 -13.358 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.693 -13.522 -2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.993 -15.217 -3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.488 -13.549 -3.262 1.00 0.00 H new ATOM 592 N GLN A 44 -1.896 -16.466 -3.494 1.00 0.00 N ATOM 593 CA GLN A 44 -1.644 -17.434 -4.548 1.00 0.00 C ATOM 594 C GLN A 44 -1.499 -18.837 -3.955 1.00 0.00 C ATOM 595 O GLN A 44 -1.736 -19.831 -4.640 1.00 0.00 O ATOM 596 CB GLN A 44 -0.405 -17.051 -5.359 1.00 0.00 C ATOM 597 CG GLN A 44 -0.701 -15.872 -6.289 1.00 0.00 C ATOM 598 CD GLN A 44 -1.883 -16.184 -7.210 1.00 0.00 C ATOM 599 OE1 GLN A 44 -3.030 -15.894 -6.911 1.00 0.00 O ATOM 600 NE2 GLN A 44 -1.540 -16.789 -8.344 1.00 0.00 N ATOM 0 H GLN A 44 -1.117 -15.838 -3.297 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.497 -17.434 -5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.410 -16.790 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.071 -17.907 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.921 -14.984 -5.697 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.181 -15.646 -6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.561 -17.003 -8.532 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.256 -17.039 -9.026 1.00 0.00 H new ATOM 609 N ALA A 45 -1.112 -18.873 -2.689 1.00 0.00 N ATOM 610 CA ALA A 45 -0.933 -20.138 -1.997 1.00 0.00 C ATOM 611 C ALA A 45 -2.296 -20.663 -1.541 1.00 0.00 C ATOM 612 O ALA A 45 -2.559 -21.862 -1.612 1.00 0.00 O ATOM 613 CB ALA A 45 0.039 -19.949 -0.830 1.00 0.00 C ATOM 0 H ALA A 45 -0.917 -18.046 -2.124 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.500 -20.882 -2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.173 -20.898 -0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.001 -19.604 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.364 -19.210 -0.137 1.00 0.00 H new ATOM 619 N VAL A 46 -3.127 -19.738 -1.083 1.00 0.00 N ATOM 620 CA VAL A 46 -4.456 -20.092 -0.616 1.00 0.00 C ATOM 621 C VAL A 46 -5.261 -20.678 -1.777 1.00 0.00 C ATOM 622 O VAL A 46 -5.814 -21.772 -1.665 1.00 0.00 O ATOM 623 CB VAL A 46 -5.128 -18.874 0.022 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.646 -19.055 0.083 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.553 -18.597 1.413 1.00 0.00 C ATOM 0 H VAL A 46 -2.905 -18.744 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.397 -20.857 0.158 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.919 -18.008 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.099 -18.176 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.038 -19.182 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.884 -19.937 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.047 -17.727 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.718 -19.463 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.483 -18.404 1.333 1.00 0.00 H new ATOM 635 N ASP A 47 -5.302 -19.926 -2.867 1.00 0.00 N ATOM 636 CA ASP A 47 -6.030 -20.357 -4.048 1.00 0.00 C ATOM 637 C ASP A 47 -5.478 -21.704 -4.518 1.00 0.00 C ATOM 638 O ASP A 47 -6.141 -22.426 -5.261 1.00 0.00 O ATOM 639 CB ASP A 47 -5.868 -19.354 -5.192 1.00 0.00 C ATOM 640 CG ASP A 47 -7.146 -19.061 -5.980 1.00 0.00 C ATOM 641 OD1 ASP A 47 -8.144 -19.769 -5.728 1.00 0.00 O ATOM 642 OD2 ASP A 47 -7.095 -18.135 -6.818 1.00 0.00 O ATOM 0 H ASP A 47 -4.842 -19.020 -2.957 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.085 -20.435 -3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.488 -18.418 -4.783 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.112 -19.731 -5.881 1.00 0.00 H new ATOM 647 N SER A 48 -4.268 -22.002 -4.066 1.00 0.00 N ATOM 648 CA SER A 48 -3.619 -23.250 -4.432 1.00 0.00 C ATOM 649 C SER A 48 -3.400 -24.110 -3.186 1.00 0.00 C ATOM 650 O SER A 48 -2.608 -25.051 -3.208 1.00 0.00 O ATOM 651 CB SER A 48 -2.288 -22.991 -5.139 1.00 0.00 C ATOM 652 OG SER A 48 -2.168 -23.743 -6.344 1.00 0.00 O ATOM 0 H SER A 48 -3.720 -21.401 -3.450 1.00 0.00 H new ATOM 0 HA SER A 48 -4.269 -23.784 -5.125 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.198 -21.928 -5.364 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.466 -23.246 -4.470 1.00 0.00 H new ATOM 0 HG SER A 48 -1.305 -23.549 -6.766 1.00 0.00 H new ATOM 658 N PHE A 49 -4.116 -23.756 -2.128 1.00 0.00 N ATOM 659 CA PHE A 49 -4.009 -24.484 -0.875 1.00 0.00 C ATOM 660 C PHE A 49 -5.086 -25.567 -0.777 1.00 0.00 C ATOM 661 O PHE A 49 -6.235 -25.341 -1.153 1.00 0.00 O ATOM 662 CB PHE A 49 -4.218 -23.470 0.251 1.00 0.00 C ATOM 663 CG PHE A 49 -4.277 -24.093 1.647 1.00 0.00 C ATOM 664 CD1 PHE A 49 -3.210 -24.786 2.128 1.00 0.00 C ATOM 665 CD2 PHE A 49 -5.396 -23.954 2.407 1.00 0.00 C ATOM 666 CE1 PHE A 49 -3.264 -25.364 3.424 1.00 0.00 C ATOM 667 CE2 PHE A 49 -5.450 -24.532 3.703 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.383 -25.225 4.184 1.00 0.00 C ATOM 0 H PHE A 49 -4.772 -22.975 -2.113 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.036 -24.970 -0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.409 -22.741 0.224 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.144 -22.925 0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.321 -24.897 1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.243 -23.404 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.417 -25.914 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.339 -24.421 4.307 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.425 -25.665 5.170 1.00 0.00 H new ATOM 678 N GLU A 50 -4.676 -26.720 -0.268 1.00 0.00 N ATOM 679 CA GLU A 50 -5.592 -27.838 -0.115 1.00 0.00 C ATOM 680 C GLU A 50 -5.362 -28.532 1.228 1.00 0.00 C ATOM 681 O GLU A 50 -5.729 -29.693 1.402 1.00 0.00 O ATOM 682 CB GLU A 50 -5.448 -28.826 -1.275 1.00 0.00 C ATOM 683 CG GLU A 50 -6.689 -29.713 -1.396 1.00 0.00 C ATOM 684 CD GLU A 50 -7.125 -29.850 -2.856 1.00 0.00 C ATOM 685 OE1 GLU A 50 -7.100 -28.814 -3.555 1.00 0.00 O ATOM 686 OE2 GLU A 50 -7.475 -30.987 -3.239 1.00 0.00 O ATOM 0 H GLU A 50 -3.722 -26.904 0.044 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.612 -27.453 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.295 -28.280 -2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.566 -29.447 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.477 -30.699 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.503 -29.288 -0.808 1.00 0.00 H new ATOM 693 N GLY A 51 -4.755 -27.792 2.145 1.00 0.00 N ATOM 694 CA GLY A 51 -4.472 -28.322 3.468 1.00 0.00 C ATOM 695 C GLY A 51 -5.703 -28.226 4.372 1.00 0.00 C ATOM 696 O GLY A 51 -6.828 -28.426 3.918 1.00 0.00 O ATOM 0 H GLY A 51 -4.451 -26.829 1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.156 -29.362 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.644 -27.771 3.915 1.00 0.00 H new ATOM 700 N LYS A 52 -5.447 -27.918 5.635 1.00 0.00 N ATOM 701 CA LYS A 52 -6.520 -27.793 6.607 1.00 0.00 C ATOM 702 C LYS A 52 -6.142 -26.734 7.644 1.00 0.00 C ATOM 703 O LYS A 52 -5.151 -26.024 7.479 1.00 0.00 O ATOM 704 CB LYS A 52 -6.855 -29.157 7.214 1.00 0.00 C ATOM 705 CG LYS A 52 -5.584 -29.893 7.643 1.00 0.00 C ATOM 706 CD LYS A 52 -5.536 -31.300 7.045 1.00 0.00 C ATOM 707 CE LYS A 52 -5.855 -32.357 8.104 1.00 0.00 C ATOM 708 NZ LYS A 52 -6.240 -33.634 7.462 1.00 0.00 N ATOM 0 H LYS A 52 -4.512 -27.751 6.008 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.435 -27.453 6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.511 -29.025 8.074 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.400 -29.759 6.487 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.708 -29.329 7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.545 -29.955 8.731 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.250 -31.375 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.548 -31.487 6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.987 -32.512 8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.665 -32.006 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.453 -34.341 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.082 -33.485 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.456 -33.975 6.870 1.00 0.00 H new ATOM 722 N LYS A 53 -6.951 -26.661 8.691 1.00 0.00 N ATOM 723 CA LYS A 53 -6.713 -25.701 9.755 1.00 0.00 C ATOM 724 C LYS A 53 -5.715 -26.289 10.754 1.00 0.00 C ATOM 725 O LYS A 53 -5.464 -25.702 11.805 1.00 0.00 O ATOM 726 CB LYS A 53 -8.036 -25.267 10.390 1.00 0.00 C ATOM 727 CG LYS A 53 -8.943 -24.591 9.361 1.00 0.00 C ATOM 728 CD LYS A 53 -10.060 -23.802 10.048 1.00 0.00 C ATOM 729 CE LYS A 53 -11.436 -24.321 9.628 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.321 -24.455 10.806 1.00 0.00 N ATOM 0 H LYS A 53 -7.772 -27.251 8.825 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.264 -24.792 9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.543 -26.135 10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.840 -24.581 11.214 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.353 -23.922 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.377 -25.344 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.953 -23.880 11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.973 -22.746 9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.884 -23.639 8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.331 -25.286 9.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.251 -24.808 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.900 -25.124 11.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.435 -23.527 11.262 1.00 0.00 H new ATOM 744 N THR A 54 -5.171 -27.441 10.389 1.00 0.00 N ATOM 745 CA THR A 54 -4.206 -28.116 11.240 1.00 0.00 C ATOM 746 C THR A 54 -2.832 -28.148 10.567 1.00 0.00 C ATOM 747 O THR A 54 -1.805 -28.094 11.241 1.00 0.00 O ATOM 748 CB THR A 54 -4.755 -29.506 11.569 1.00 0.00 C ATOM 749 OG1 THR A 54 -4.317 -30.318 10.483 1.00 0.00 O ATOM 750 CG2 THR A 54 -6.281 -29.567 11.488 1.00 0.00 C ATOM 0 H THR A 54 -5.380 -27.924 9.515 1.00 0.00 H new ATOM 0 HA THR A 54 -4.061 -27.579 12.177 1.00 0.00 H new ATOM 0 HB THR A 54 -4.433 -29.796 12.569 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.628 -31.238 10.616 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.618 -30.575 11.730 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.712 -28.860 12.197 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.602 -29.310 10.479 1.00 0.00 H new ATOM 758 N ASP A 55 -2.859 -28.237 9.245 1.00 0.00 N ATOM 759 CA ASP A 55 -1.629 -28.278 8.473 1.00 0.00 C ATOM 760 C ASP A 55 -0.761 -27.072 8.840 1.00 0.00 C ATOM 761 O ASP A 55 -1.272 -26.052 9.300 1.00 0.00 O ATOM 762 CB ASP A 55 -1.918 -28.213 6.972 1.00 0.00 C ATOM 763 CG ASP A 55 -0.978 -29.042 6.096 1.00 0.00 C ATOM 764 OD1 ASP A 55 0.245 -28.799 6.187 1.00 0.00 O ATOM 765 OD2 ASP A 55 -1.502 -29.901 5.355 1.00 0.00 O ATOM 0 H ASP A 55 -3.713 -28.282 8.689 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.119 -29.214 8.702 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.941 -28.548 6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.865 -27.172 6.652 1.00 0.00 H new ATOM 770 N LYS A 56 0.536 -27.229 8.623 1.00 0.00 N ATOM 771 CA LYS A 56 1.479 -26.166 8.924 1.00 0.00 C ATOM 772 C LYS A 56 1.327 -25.047 7.892 1.00 0.00 C ATOM 773 O LYS A 56 1.321 -23.868 8.245 1.00 0.00 O ATOM 774 CB LYS A 56 2.901 -26.723 9.023 1.00 0.00 C ATOM 775 CG LYS A 56 3.792 -25.806 9.865 1.00 0.00 C ATOM 776 CD LYS A 56 4.416 -24.707 9.004 1.00 0.00 C ATOM 777 CE LYS A 56 5.861 -24.433 9.427 1.00 0.00 C ATOM 778 NZ LYS A 56 5.898 -23.458 10.541 1.00 0.00 N ATOM 0 H LYS A 56 0.956 -28.077 8.242 1.00 0.00 H new ATOM 0 HA LYS A 56 1.263 -25.731 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.875 -27.718 9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.324 -26.830 8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.204 -25.356 10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.579 -26.393 10.339 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.390 -25.003 7.955 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.828 -23.793 9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.339 -25.363 9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.428 -24.048 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.885 -23.283 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.460 -22.565 10.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.374 -23.840 11.354 1.00 0.00 H new ATOM 792 N LYS A 57 1.208 -25.455 6.637 1.00 0.00 N ATOM 793 CA LYS A 57 1.057 -24.501 5.551 1.00 0.00 C ATOM 794 C LYS A 57 0.011 -23.454 5.940 1.00 0.00 C ATOM 795 O LYS A 57 0.247 -22.255 5.802 1.00 0.00 O ATOM 796 CB LYS A 57 0.743 -25.227 4.241 1.00 0.00 C ATOM 797 CG LYS A 57 0.602 -24.234 3.085 1.00 0.00 C ATOM 798 CD LYS A 57 0.878 -24.914 1.743 1.00 0.00 C ATOM 799 CE LYS A 57 2.167 -24.381 1.113 1.00 0.00 C ATOM 800 NZ LYS A 57 2.109 -24.494 -0.361 1.00 0.00 N ATOM 0 H LYS A 57 1.213 -26.433 6.348 1.00 0.00 H new ATOM 0 HA LYS A 57 1.992 -23.969 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.536 -25.941 4.017 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.179 -25.798 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.403 -23.812 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.295 -23.405 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.958 -25.992 1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.041 -24.744 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.314 -23.339 1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.022 -24.940 1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.991 -24.128 -0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.990 -25.492 -0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.304 -23.941 -0.720 1.00 0.00 H new ATOM 814 N TYR A 58 -1.123 -23.946 6.418 1.00 0.00 N ATOM 815 CA TYR A 58 -2.205 -23.068 6.827 1.00 0.00 C ATOM 816 C TYR A 58 -1.727 -22.057 7.872 1.00 0.00 C ATOM 817 O TYR A 58 -2.094 -20.885 7.821 1.00 0.00 O ATOM 818 CB TYR A 58 -3.266 -23.972 7.458 1.00 0.00 C ATOM 819 CG TYR A 58 -4.516 -23.228 7.932 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.573 -23.033 7.067 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.586 -22.751 9.226 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.750 -22.333 7.513 1.00 0.00 C ATOM 823 CE2 TYR A 58 -5.762 -22.050 9.672 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.786 -21.876 8.794 1.00 0.00 C ATOM 825 OH TYR A 58 -7.897 -21.214 9.215 1.00 0.00 O ATOM 0 H TYR A 58 -1.315 -24.941 6.531 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.587 -22.507 5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.560 -24.730 6.733 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.824 -24.496 8.306 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.518 -23.406 6.055 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -3.759 -22.904 9.903 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.585 -22.175 6.846 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.829 -21.671 10.681 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.783 -20.947 10.151 1.00 0.00 H new ATOM 835 N LEU A 59 -0.914 -22.550 8.796 1.00 0.00 N ATOM 836 CA LEU A 59 -0.381 -21.705 9.851 1.00 0.00 C ATOM 837 C LEU A 59 0.615 -20.712 9.249 1.00 0.00 C ATOM 838 O LEU A 59 0.729 -19.580 9.717 1.00 0.00 O ATOM 839 CB LEU A 59 0.205 -22.559 10.976 1.00 0.00 C ATOM 840 CG LEU A 59 -0.673 -23.709 11.472 1.00 0.00 C ATOM 841 CD1 LEU A 59 0.150 -24.723 12.270 1.00 0.00 C ATOM 842 CD2 LEU A 59 -1.866 -23.183 12.273 1.00 0.00 C ATOM 0 H LEU A 59 -0.612 -23.523 8.835 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.178 -21.119 10.309 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.153 -22.974 10.634 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.428 -21.908 11.821 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.074 -24.231 10.603 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.498 -25.530 12.611 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.937 -25.133 11.636 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.599 -24.229 13.132 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.474 -24.021 12.614 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.506 -22.622 13.135 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.469 -22.531 11.641 1.00 0.00 H new ATOM 854 N MET A 60 1.312 -21.172 8.220 1.00 0.00 N ATOM 855 CA MET A 60 2.295 -20.338 7.549 1.00 0.00 C ATOM 856 C MET A 60 1.618 -19.199 6.784 1.00 0.00 C ATOM 857 O MET A 60 2.053 -18.051 6.860 1.00 0.00 O ATOM 858 CB MET A 60 3.111 -21.193 6.577 1.00 0.00 C ATOM 859 CG MET A 60 4.491 -21.513 7.154 1.00 0.00 C ATOM 860 SD MET A 60 5.289 -22.769 6.167 1.00 0.00 S ATOM 861 CE MET A 60 4.777 -22.253 4.537 1.00 0.00 C ATOM 0 H MET A 60 1.215 -22.111 7.835 1.00 0.00 H new ATOM 0 HA MET A 60 2.951 -19.903 8.303 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.577 -22.120 6.366 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.222 -20.666 5.629 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.103 -20.612 7.175 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.393 -21.856 8.184 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.378 -22.768 3.787 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.725 -22.499 4.391 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.915 -21.176 4.436 1.00 0.00 H new ATOM 871 N ILE A 61 0.565 -19.557 6.064 1.00 0.00 N ATOM 872 CA ILE A 61 -0.177 -18.579 5.286 1.00 0.00 C ATOM 873 C ILE A 61 -0.884 -17.609 6.235 1.00 0.00 C ATOM 874 O ILE A 61 -1.071 -16.439 5.905 1.00 0.00 O ATOM 875 CB ILE A 61 -1.121 -19.279 4.306 1.00 0.00 C ATOM 876 CG1 ILE A 61 -0.345 -19.881 3.133 1.00 0.00 C ATOM 877 CG2 ILE A 61 -2.225 -18.330 3.836 1.00 0.00 C ATOM 878 CD1 ILE A 61 -1.179 -20.940 2.410 1.00 0.00 C ATOM 0 H ILE A 61 0.208 -20.511 6.003 1.00 0.00 H new ATOM 0 HA ILE A 61 0.501 -17.987 4.672 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.606 -20.104 4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.066 -19.093 2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.581 -20.327 3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.882 -18.852 3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.803 -17.990 4.695 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.778 -17.470 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.604 -21.352 1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.435 -21.739 3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.093 -20.485 2.028 1.00 0.00 H new ATOM 890 N GLU A 62 -1.257 -18.131 7.394 1.00 0.00 N ATOM 891 CA GLU A 62 -1.940 -17.326 8.392 1.00 0.00 C ATOM 892 C GLU A 62 -0.974 -16.309 9.004 1.00 0.00 C ATOM 893 O GLU A 62 -1.260 -15.113 9.029 1.00 0.00 O ATOM 894 CB GLU A 62 -2.565 -18.208 9.474 1.00 0.00 C ATOM 895 CG GLU A 62 -3.682 -17.464 10.210 1.00 0.00 C ATOM 896 CD GLU A 62 -3.170 -16.145 10.792 1.00 0.00 C ATOM 897 OE1 GLU A 62 -2.126 -16.193 11.476 1.00 0.00 O ATOM 898 OE2 GLU A 62 -3.836 -15.117 10.540 1.00 0.00 O ATOM 0 H GLU A 62 -1.099 -19.102 7.664 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.748 -16.782 7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.964 -19.116 9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.798 -18.516 10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.506 -17.268 9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.075 -18.091 11.010 1.00 0.00 H new ATOM 905 N GLU A 63 0.150 -16.822 9.483 1.00 0.00 N ATOM 906 CA GLU A 63 1.159 -15.973 10.093 1.00 0.00 C ATOM 907 C GLU A 63 1.578 -14.866 9.124 1.00 0.00 C ATOM 908 O GLU A 63 1.693 -13.705 9.515 1.00 0.00 O ATOM 909 CB GLU A 63 2.369 -16.796 10.541 1.00 0.00 C ATOM 910 CG GLU A 63 3.475 -16.764 9.485 1.00 0.00 C ATOM 911 CD GLU A 63 4.682 -17.594 9.930 1.00 0.00 C ATOM 912 OE1 GLU A 63 4.519 -18.830 10.019 1.00 0.00 O ATOM 913 OE2 GLU A 63 5.740 -16.973 10.171 1.00 0.00 O ATOM 0 H GLU A 63 0.384 -17.815 9.461 1.00 0.00 H new ATOM 0 HA GLU A 63 0.728 -15.509 10.980 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.750 -16.405 11.484 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.065 -17.827 10.723 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.092 -17.150 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.783 -15.734 9.307 1.00 0.00 H new ATOM 920 N TYR A 64 1.794 -15.263 7.879 1.00 0.00 N ATOM 921 CA TYR A 64 2.198 -14.318 6.852 1.00 0.00 C ATOM 922 C TYR A 64 1.075 -13.325 6.549 1.00 0.00 C ATOM 923 O TYR A 64 1.243 -12.119 6.725 1.00 0.00 O ATOM 924 CB TYR A 64 2.477 -15.151 5.599 1.00 0.00 C ATOM 925 CG TYR A 64 3.662 -16.109 5.739 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.721 -15.780 6.561 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.671 -17.301 5.045 1.00 0.00 C ATOM 928 CE1 TYR A 64 5.836 -16.681 6.693 1.00 0.00 C ATOM 929 CE2 TYR A 64 4.787 -18.203 5.177 1.00 0.00 C ATOM 930 CZ TYR A 64 5.814 -17.848 5.994 1.00 0.00 C ATOM 931 OH TYR A 64 6.868 -18.699 6.119 1.00 0.00 O ATOM 0 H TYR A 64 1.697 -16.226 7.558 1.00 0.00 H new ATOM 0 HA TYR A 64 3.068 -13.747 7.177 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.585 -15.727 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.664 -14.478 4.762 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.713 -14.847 7.105 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.842 -17.558 4.403 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.671 -16.436 7.333 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.807 -19.139 4.639 1.00 0.00 H new ATOM 0 HH TYR A 64 6.716 -19.492 5.564 1.00 0.00 H new ATOM 941 N LEU A 65 -0.047 -13.867 6.098 1.00 0.00 N ATOM 942 CA LEU A 65 -1.198 -13.043 5.770 1.00 0.00 C ATOM 943 C LEU A 65 -1.314 -11.908 6.789 1.00 0.00 C ATOM 944 O LEU A 65 -1.430 -10.742 6.414 1.00 0.00 O ATOM 945 CB LEU A 65 -2.458 -13.903 5.660 1.00 0.00 C ATOM 946 CG LEU A 65 -2.631 -14.677 4.351 1.00 0.00 C ATOM 947 CD1 LEU A 65 -3.789 -15.671 4.450 1.00 0.00 C ATOM 948 CD2 LEU A 65 -2.794 -13.722 3.167 1.00 0.00 C ATOM 0 H LEU A 65 -0.183 -14.867 5.952 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.070 -12.581 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.459 -14.617 6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.327 -13.258 5.795 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.725 -15.256 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.890 -16.207 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.591 -16.382 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.713 -15.133 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.915 -14.298 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.673 -13.097 3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.910 -13.090 3.085 1.00 0.00 H new ATOM 960 N THR A 66 -1.280 -12.289 8.057 1.00 0.00 N ATOM 961 CA THR A 66 -1.380 -11.317 9.133 1.00 0.00 C ATOM 962 C THR A 66 -0.167 -10.386 9.126 1.00 0.00 C ATOM 963 O THR A 66 -0.312 -9.170 9.237 1.00 0.00 O ATOM 964 CB THR A 66 -1.552 -12.082 10.447 1.00 0.00 C ATOM 965 OG1 THR A 66 -2.933 -12.433 10.467 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.376 -11.186 11.674 1.00 0.00 C ATOM 0 H THR A 66 -1.185 -13.257 8.364 1.00 0.00 H new ATOM 0 HA THR A 66 -2.247 -10.670 9.001 1.00 0.00 H new ATOM 0 HB THR A 66 -0.831 -12.898 10.488 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.022 -13.409 10.490 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.508 -11.779 12.579 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.376 -10.752 11.667 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.118 -10.388 11.651 1.00 0.00 H new ATOM 974 N LYS A 67 1.004 -10.993 8.995 1.00 0.00 N ATOM 975 CA LYS A 67 2.242 -10.233 8.972 1.00 0.00 C ATOM 976 C LYS A 67 2.075 -9.021 8.053 1.00 0.00 C ATOM 977 O LYS A 67 2.526 -7.924 8.379 1.00 0.00 O ATOM 978 CB LYS A 67 3.417 -11.136 8.591 1.00 0.00 C ATOM 979 CG LYS A 67 4.058 -11.757 9.834 1.00 0.00 C ATOM 980 CD LYS A 67 4.849 -13.015 9.473 1.00 0.00 C ATOM 981 CE LYS A 67 5.537 -13.603 10.707 1.00 0.00 C ATOM 982 NZ LYS A 67 4.556 -13.821 11.793 1.00 0.00 N ATOM 0 H LYS A 67 1.121 -12.002 8.904 1.00 0.00 H new ATOM 0 HA LYS A 67 2.473 -9.850 9.966 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.072 -11.925 7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.162 -10.558 8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.719 -11.031 10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.284 -12.006 10.561 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.180 -13.757 9.037 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.595 -12.775 8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.017 -14.547 10.448 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.323 -12.929 11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.971 -14.443 12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.306 -12.908 12.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.700 -14.266 11.404 1.00 0.00 H new ATOM 996 N GLU A 68 1.426 -9.260 6.923 1.00 0.00 N ATOM 997 CA GLU A 68 1.194 -8.202 5.955 1.00 0.00 C ATOM 998 C GLU A 68 0.173 -7.199 6.499 1.00 0.00 C ATOM 999 O GLU A 68 0.259 -6.005 6.217 1.00 0.00 O ATOM 1000 CB GLU A 68 0.736 -8.777 4.613 1.00 0.00 C ATOM 1001 CG GLU A 68 1.804 -9.695 4.017 1.00 0.00 C ATOM 1002 CD GLU A 68 3.192 -9.061 4.119 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.295 -7.864 3.775 1.00 0.00 O ATOM 1004 OE2 GLU A 68 4.119 -9.787 4.540 1.00 0.00 O ATOM 0 H GLU A 68 1.053 -10.171 6.656 1.00 0.00 H new ATOM 0 HA GLU A 68 2.135 -7.678 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.192 -9.333 4.749 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.522 -7.964 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.798 -10.652 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.570 -9.900 2.972 1.00 0.00 H new ATOM 1011 N LEU A 69 -0.769 -7.722 7.270 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.804 -6.888 7.856 1.00 0.00 C ATOM 1013 C LEU A 69 -1.159 -5.860 8.788 1.00 0.00 C ATOM 1014 O LEU A 69 -1.322 -4.656 8.597 1.00 0.00 O ATOM 1015 CB LEU A 69 -2.867 -7.753 8.537 1.00 0.00 C ATOM 1016 CG LEU A 69 -3.823 -8.499 7.604 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.898 -9.241 8.400 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -4.430 -7.551 6.568 1.00 0.00 C ATOM 0 H LEU A 69 -0.837 -8.713 7.502 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.328 -6.330 7.080 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.362 -8.484 9.168 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.457 -7.117 9.196 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.251 -9.249 7.058 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.564 -9.763 7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.425 -9.963 9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.472 -8.526 8.990 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.105 -8.107 5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.984 -6.762 7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.634 -7.108 5.970 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.439 -6.373 9.775 1.00 0.00 N ATOM 1031 CA LEU A 70 0.232 -5.515 10.737 1.00 0.00 C ATOM 1032 C LEU A 70 1.061 -4.470 9.989 1.00 0.00 C ATOM 1033 O LEU A 70 1.178 -3.329 10.435 1.00 0.00 O ATOM 1034 CB LEU A 70 1.045 -6.352 11.726 1.00 0.00 C ATOM 1035 CG LEU A 70 0.242 -7.079 12.807 1.00 0.00 C ATOM 1036 CD1 LEU A 70 -0.454 -6.083 13.737 1.00 0.00 C ATOM 1037 CD2 LEU A 70 -0.745 -8.068 12.185 1.00 0.00 C ATOM 0 H LEU A 70 -0.306 -7.372 9.929 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.498 -4.973 11.339 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.613 -7.093 11.164 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.768 -5.700 12.215 1.00 0.00 H new ATOM 0 HG LEU A 70 0.936 -7.657 13.417 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.017 -6.626 14.496 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.293 -5.454 14.221 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.134 -5.458 13.158 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.303 -8.571 12.975 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.438 -7.532 11.537 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.199 -8.807 11.599 1.00 0.00 H new ATOM 1049 N ALA A 71 1.617 -4.896 8.864 1.00 0.00 N ATOM 1050 CA ALA A 71 2.432 -4.010 8.050 1.00 0.00 C ATOM 1051 C ALA A 71 1.530 -2.990 7.352 1.00 0.00 C ATOM 1052 O ALA A 71 1.970 -1.891 7.021 1.00 0.00 O ATOM 1053 CB ALA A 71 3.251 -4.839 7.058 1.00 0.00 C ATOM 0 H ALA A 71 1.519 -5.843 8.497 1.00 0.00 H new ATOM 0 HA ALA A 71 3.135 -3.456 8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.863 -4.175 6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.896 -5.527 7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.578 -5.406 6.415 1.00 0.00 H new ATOM 1059 N LEU A 72 0.283 -3.392 7.150 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.685 -2.526 6.498 1.00 0.00 C ATOM 1061 C LEU A 72 -1.217 -1.509 7.510 1.00 0.00 C ATOM 1062 O LEU A 72 -1.604 -0.403 7.138 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.781 -3.357 5.827 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.375 -4.098 4.551 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.348 -5.238 4.246 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.240 -3.130 3.375 1.00 0.00 C ATOM 0 H LEU A 72 -0.079 -4.305 7.426 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.210 -1.960 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.147 -4.089 6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.616 -2.697 5.590 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.395 -4.546 4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.037 -5.748 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.351 -5.946 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.351 -4.834 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.951 -3.682 2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.194 -2.633 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.479 -2.384 3.603 1.00 0.00 H new ATOM 1078 N ASP A 73 -1.218 -1.921 8.769 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.696 -1.060 9.837 1.00 0.00 C ATOM 1080 C ASP A 73 -0.617 -0.031 10.178 1.00 0.00 C ATOM 1081 O ASP A 73 -0.925 1.124 10.467 1.00 0.00 O ATOM 1082 CB ASP A 73 -1.997 -1.867 11.102 1.00 0.00 C ATOM 1083 CG ASP A 73 -2.956 -1.194 12.086 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -4.174 -1.232 11.806 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -2.450 -0.657 13.095 1.00 0.00 O ATOM 0 H ASP A 73 -0.895 -2.840 9.073 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.609 -0.573 9.494 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.417 -2.829 10.809 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.058 -2.072 11.616 1.00 0.00 H new ATOM 1090 N SER A 74 0.626 -0.487 10.133 1.00 0.00 N ATOM 1091 CA SER A 74 1.753 0.380 10.434 1.00 0.00 C ATOM 1092 C SER A 74 1.739 1.597 9.507 1.00 0.00 C ATOM 1093 O SER A 74 2.394 2.600 9.784 1.00 0.00 O ATOM 1094 CB SER A 74 3.078 -0.373 10.300 1.00 0.00 C ATOM 1095 OG SER A 74 4.167 0.361 10.853 1.00 0.00 O ATOM 0 H SER A 74 0.878 -1.446 9.893 1.00 0.00 H new ATOM 0 HA SER A 74 1.660 0.716 11.467 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.999 -1.338 10.801 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.275 -0.576 9.247 1.00 0.00 H new ATOM 0 HG SER A 74 4.995 -0.154 10.749 1.00 0.00 H new ATOM 1101 N VAL A 75 0.984 1.468 8.425 1.00 0.00 N ATOM 1102 CA VAL A 75 0.876 2.545 7.456 1.00 0.00 C ATOM 1103 C VAL A 75 -0.166 3.557 7.938 1.00 0.00 C ATOM 1104 O VAL A 75 -1.327 3.206 8.147 1.00 0.00 O ATOM 1105 CB VAL A 75 0.559 1.974 6.072 1.00 0.00 C ATOM 1106 CG1 VAL A 75 0.250 3.093 5.075 1.00 0.00 C ATOM 1107 CG2 VAL A 75 1.702 1.090 5.569 1.00 0.00 C ATOM 0 H VAL A 75 0.442 0.634 8.199 1.00 0.00 H new ATOM 0 HA VAL A 75 1.825 3.074 7.366 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.331 1.351 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.028 2.660 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.611 3.663 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.113 3.754 4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.451 0.697 4.584 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.616 1.680 5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.854 0.262 6.262 1.00 0.00 H new ATOM 1117 N ASP A 76 0.286 4.792 8.101 1.00 0.00 N ATOM 1118 CA ASP A 76 -0.593 5.856 8.555 1.00 0.00 C ATOM 1119 C ASP A 76 -0.762 6.884 7.434 1.00 0.00 C ATOM 1120 O ASP A 76 0.184 7.588 7.084 1.00 0.00 O ATOM 1121 CB ASP A 76 -0.005 6.575 9.771 1.00 0.00 C ATOM 1122 CG ASP A 76 -0.998 6.852 10.901 1.00 0.00 C ATOM 1123 OD1 ASP A 76 -2.211 6.696 10.642 1.00 0.00 O ATOM 1124 OD2 ASP A 76 -0.522 7.212 11.999 1.00 0.00 O ATOM 0 H ASP A 76 1.249 5.079 7.927 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.550 5.410 8.827 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.815 5.976 10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.422 7.523 9.443 1.00 0.00 H new ATOM 1129 N PRO A 77 -2.007 6.939 6.889 1.00 0.00 N ATOM 1130 CA PRO A 77 -2.312 7.869 5.815 1.00 0.00 C ATOM 1131 C PRO A 77 -2.445 9.297 6.348 1.00 0.00 C ATOM 1132 O PRO A 77 -2.282 10.260 5.600 1.00 0.00 O ATOM 1133 CB PRO A 77 -3.597 7.345 5.195 1.00 0.00 C ATOM 1134 CG PRO A 77 -4.212 6.417 6.230 1.00 0.00 C ATOM 1135 CD PRO A 77 -3.152 6.121 7.278 1.00 0.00 C ATOM 0 HA PRO A 77 -1.519 7.925 5.069 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.275 8.163 4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.393 6.813 4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.084 6.882 6.690 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.553 5.494 5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.501 6.379 8.278 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.895 5.062 7.293 1.00 0.00 H new ATOM 1143 N GLU A 78 -2.739 9.389 7.636 1.00 0.00 N ATOM 1144 CA GLU A 78 -2.895 10.684 8.278 1.00 0.00 C ATOM 1145 C GLU A 78 -4.217 11.329 7.857 1.00 0.00 C ATOM 1146 O GLU A 78 -5.099 11.544 8.687 1.00 0.00 O ATOM 1147 CB GLU A 78 -1.712 11.600 7.959 1.00 0.00 C ATOM 1148 CG GLU A 78 -0.384 10.863 8.140 1.00 0.00 C ATOM 1149 CD GLU A 78 0.749 11.844 8.451 1.00 0.00 C ATOM 1150 OE1 GLU A 78 0.568 12.638 9.399 1.00 0.00 O ATOM 1151 OE2 GLU A 78 1.771 11.776 7.734 1.00 0.00 O ATOM 0 H GLU A 78 -2.873 8.588 8.253 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.914 10.533 9.357 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.794 11.963 6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.739 12.474 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.474 10.137 8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.148 10.304 7.235 1.00 0.00 H new ATOM 1158 N GLY A 79 -4.313 11.619 6.568 1.00 0.00 N ATOM 1159 CA GLY A 79 -5.513 12.235 6.027 1.00 0.00 C ATOM 1160 C GLY A 79 -5.541 12.132 4.501 1.00 0.00 C ATOM 1161 O GLY A 79 -6.082 13.007 3.826 1.00 0.00 O ATOM 0 H GLY A 79 -3.580 11.439 5.882 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.395 11.749 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.555 13.283 6.325 1.00 0.00 H new ATOM 1165 N ARG A 80 -4.952 11.056 4.001 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.904 10.827 2.567 1.00 0.00 C ATOM 1167 C ARG A 80 -5.890 9.727 2.171 1.00 0.00 C ATOM 1168 O ARG A 80 -5.911 8.658 2.780 1.00 0.00 O ATOM 1169 CB ARG A 80 -3.496 10.425 2.121 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.497 11.556 2.373 1.00 0.00 C ATOM 1171 CD ARG A 80 -1.912 12.075 1.058 1.00 0.00 C ATOM 1172 NE ARG A 80 -2.858 13.018 0.421 1.00 0.00 N ATOM 1173 CZ ARG A 80 -3.002 14.300 0.787 1.00 0.00 C ATOM 1174 NH1 ARG A 80 -2.263 14.798 1.787 1.00 0.00 N ATOM 1175 NH2 ARG A 80 -3.885 15.082 0.152 1.00 0.00 N ATOM 0 H ARG A 80 -4.504 10.333 4.564 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.178 11.759 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.182 9.531 2.659 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.505 10.172 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.991 12.371 2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.693 11.199 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.960 12.572 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.709 11.241 0.386 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.437 12.671 -0.344 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.591 14.202 2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.372 15.773 2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.447 14.702 -0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.995 16.057 0.430 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.683 10.026 1.153 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.670 9.075 0.668 1.00 0.00 C ATOM 1191 C ALA A 81 -6.990 8.074 -0.268 1.00 0.00 C ATOM 1192 O ALA A 81 -7.249 6.873 -0.191 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.813 9.829 -0.015 1.00 0.00 C ATOM 0 H ALA A 81 -6.663 10.913 0.650 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.100 8.512 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.553 9.116 -0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.281 10.505 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.420 10.404 -0.854 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.135 8.604 -1.129 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.416 7.771 -2.079 1.00 0.00 C ATOM 1201 C ASP A 82 -4.666 6.673 -1.322 1.00 0.00 C ATOM 1202 O ASP A 82 -4.466 5.579 -1.846 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.390 8.591 -2.863 1.00 0.00 C ATOM 1204 CG ASP A 82 -4.399 8.362 -4.376 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -4.555 7.187 -4.771 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -4.251 9.368 -5.103 1.00 0.00 O ATOM 0 H ASP A 82 -5.923 9.600 -1.189 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.142 7.345 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.568 9.649 -2.670 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.395 8.361 -2.482 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.270 7.004 -0.102 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.547 6.060 0.732 1.00 0.00 C ATOM 1213 C VAL A 83 -4.547 5.183 1.488 1.00 0.00 C ATOM 1214 O VAL A 83 -4.414 3.960 1.509 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.588 6.809 1.660 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.726 5.832 2.462 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.717 7.790 0.872 1.00 0.00 C ATOM 0 H VAL A 83 -4.436 7.913 0.329 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.935 5.399 0.118 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.186 7.385 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.054 6.390 3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.368 5.192 3.067 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.141 5.217 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.045 8.309 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.132 7.244 0.132 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.353 8.517 0.367 1.00 0.00 H new ATOM 1227 N ARG A 84 -5.526 5.842 2.091 1.00 0.00 N ATOM 1228 CA ARG A 84 -6.548 5.137 2.846 1.00 0.00 C ATOM 1229 C ARG A 84 -7.187 4.046 1.985 1.00 0.00 C ATOM 1230 O ARG A 84 -7.336 2.908 2.427 1.00 0.00 O ATOM 1231 CB ARG A 84 -7.635 6.098 3.331 1.00 0.00 C ATOM 1232 CG ARG A 84 -7.455 6.427 4.814 1.00 0.00 C ATOM 1233 CD ARG A 84 -8.762 6.222 5.583 1.00 0.00 C ATOM 1234 NE ARG A 84 -8.556 5.251 6.681 1.00 0.00 N ATOM 1235 CZ ARG A 84 -9.429 5.046 7.677 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -10.573 5.743 7.719 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -9.159 4.145 8.630 1.00 0.00 N ATOM 0 H ARG A 84 -5.633 6.856 2.072 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.067 4.684 3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.601 7.016 2.745 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.617 5.653 3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.676 5.794 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.122 7.459 4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.109 7.173 5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.538 5.861 4.908 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.695 4.703 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.779 6.429 6.993 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -11.238 5.587 8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.289 3.614 8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -9.824 3.989 9.388 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.548 4.432 0.770 1.00 0.00 N ATOM 1252 CA GLN A 85 -8.168 3.502 -0.158 1.00 0.00 C ATOM 1253 C GLN A 85 -7.261 2.289 -0.379 1.00 0.00 C ATOM 1254 O GLN A 85 -7.713 1.148 -0.295 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.498 4.188 -1.485 1.00 0.00 C ATOM 1256 CG GLN A 85 -7.354 4.025 -2.487 1.00 0.00 C ATOM 1257 CD GLN A 85 -7.722 4.629 -3.843 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -8.763 4.348 -4.414 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -6.813 5.471 -4.325 1.00 0.00 N ATOM 0 H GLN A 85 -7.423 5.377 0.407 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.106 3.157 0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.412 3.764 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.687 5.248 -1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.456 4.508 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.120 2.967 -2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.963 5.662 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.966 5.926 -5.225 1.00 0.00 H new ATOM 1268 N ALA A 86 -5.998 2.577 -0.657 1.00 0.00 N ATOM 1269 CA ALA A 86 -5.024 1.525 -0.890 1.00 0.00 C ATOM 1270 C ALA A 86 -4.835 0.717 0.395 1.00 0.00 C ATOM 1271 O ALA A 86 -4.797 -0.512 0.361 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.716 2.141 -1.390 1.00 0.00 C ATOM 0 H ALA A 86 -5.627 3.525 -0.726 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.376 0.840 -1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.985 1.351 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.899 2.678 -2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.330 2.833 -0.641 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.720 1.441 1.500 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.536 0.807 2.794 1.00 0.00 C ATOM 1280 C ARG A 87 -5.725 -0.100 3.115 1.00 0.00 C ATOM 1281 O ARG A 87 -5.545 -1.220 3.592 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.385 1.851 3.902 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.633 1.272 5.102 1.00 0.00 C ATOM 1284 CD ARG A 87 -3.108 2.387 6.010 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.557 2.160 7.402 1.00 0.00 N ATOM 1286 CZ ARG A 87 -4.782 2.461 7.854 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -5.687 3.003 7.028 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -5.101 2.220 9.133 1.00 0.00 N ATOM 0 H ARG A 87 -4.751 2.460 1.525 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.624 0.212 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.850 2.720 3.518 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.369 2.197 4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.295 0.618 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.801 0.660 4.754 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.019 2.417 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.466 3.354 5.657 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.893 1.749 8.058 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.444 3.187 6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -6.619 3.232 7.373 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.412 1.808 9.762 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.033 2.449 9.478 1.00 0.00 H new ATOM 1302 N ARG A 88 -6.914 0.417 2.841 1.00 0.00 N ATOM 1303 CA ARG A 88 -8.132 -0.333 3.096 1.00 0.00 C ATOM 1304 C ARG A 88 -8.132 -1.635 2.292 1.00 0.00 C ATOM 1305 O ARG A 88 -8.388 -2.706 2.839 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.370 0.487 2.725 1.00 0.00 C ATOM 1307 CG ARG A 88 -10.599 -0.412 2.578 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.890 0.401 2.687 1.00 0.00 C ATOM 1309 NE ARG A 88 -12.901 -0.353 3.462 1.00 0.00 N ATOM 1310 CZ ARG A 88 -13.513 -1.460 3.019 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -13.222 -1.947 1.805 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.417 -2.079 3.791 1.00 0.00 N ATOM 0 H ARG A 88 -7.060 1.346 2.445 1.00 0.00 H new ATOM 0 HA ARG A 88 -8.165 -0.560 4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.555 1.240 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.191 1.020 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.567 -0.923 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -10.584 -1.183 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.688 1.357 3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.275 0.623 1.692 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.147 -0.009 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.534 -1.475 1.218 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.688 -2.790 1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.639 -1.708 4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.883 -2.922 3.455 1.00 0.00 H new ATOM 1326 N ASP A 89 -7.842 -1.499 1.007 1.00 0.00 N ATOM 1327 CA ASP A 89 -7.805 -2.652 0.122 1.00 0.00 C ATOM 1328 C ASP A 89 -6.712 -3.614 0.592 1.00 0.00 C ATOM 1329 O ASP A 89 -6.869 -4.831 0.496 1.00 0.00 O ATOM 1330 CB ASP A 89 -7.482 -2.234 -1.314 1.00 0.00 C ATOM 1331 CG ASP A 89 -8.483 -2.713 -2.367 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -8.298 -3.851 -2.849 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -9.410 -1.930 -2.667 1.00 0.00 O ATOM 0 H ASP A 89 -7.630 -0.609 0.557 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.785 -3.128 0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.426 -1.146 -1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.494 -2.614 -1.574 1.00 0.00 H new ATOM 1338 N GLY A 90 -5.630 -3.034 1.089 1.00 0.00 N ATOM 1339 CA GLY A 90 -4.512 -3.825 1.573 1.00 0.00 C ATOM 1340 C GLY A 90 -4.980 -4.878 2.579 1.00 0.00 C ATOM 1341 O GLY A 90 -4.815 -6.076 2.352 1.00 0.00 O ATOM 0 H GLY A 90 -5.504 -2.025 1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.017 -4.314 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.775 -3.172 2.041 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.556 -4.394 3.670 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.050 -5.279 4.711 1.00 0.00 C ATOM 1347 C VAL A 91 -7.251 -6.063 4.180 1.00 0.00 C ATOM 1348 O VAL A 91 -7.312 -7.284 4.323 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.371 -4.474 5.972 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -5.252 -3.479 6.288 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -7.718 -3.760 5.839 1.00 0.00 C ATOM 0 H VAL A 91 -5.692 -3.400 3.855 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.286 -6.005 4.990 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.443 -5.173 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.506 -2.920 7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.319 -4.019 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.133 -2.788 5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.922 -3.195 6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.686 -3.079 4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.507 -4.497 5.685 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.177 -5.331 3.579 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.373 -5.943 3.026 1.00 0.00 C ATOM 1363 C ARG A 92 -8.997 -7.100 2.098 1.00 0.00 C ATOM 1364 O ARG A 92 -9.696 -8.111 2.045 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.204 -4.923 2.246 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.147 -5.620 1.263 1.00 0.00 C ATOM 1367 CD ARG A 92 -10.602 -5.544 -0.165 1.00 0.00 C ATOM 1368 NE ARG A 92 -11.030 -4.280 -0.804 1.00 0.00 N ATOM 1369 CZ ARG A 92 -12.306 -3.966 -1.068 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -13.286 -4.822 -0.750 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -12.601 -2.796 -1.650 1.00 0.00 N ATOM 0 H ARG A 92 -8.123 -4.319 3.463 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.968 -6.319 3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.782 -4.313 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.542 -4.248 1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.274 -6.663 1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.132 -5.155 1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.514 -5.604 -0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.961 -6.394 -0.745 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.309 -3.605 -1.060 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -13.061 -5.713 -0.307 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.257 -4.583 -0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.855 -2.144 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.572 -2.557 -1.851 1.00 0.00 H new ATOM 1385 N LYS A 93 -7.892 -6.913 1.390 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.415 -7.929 0.467 1.00 0.00 C ATOM 1387 C LYS A 93 -7.057 -9.195 1.248 1.00 0.00 C ATOM 1388 O LYS A 93 -7.460 -10.294 0.874 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.264 -7.383 -0.381 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.445 -8.522 -0.992 1.00 0.00 C ATOM 1391 CD LYS A 93 -6.251 -9.265 -2.061 1.00 0.00 C ATOM 1392 CE LYS A 93 -5.325 -9.941 -3.073 1.00 0.00 C ATOM 1393 NZ LYS A 93 -5.132 -9.076 -4.258 1.00 0.00 N ATOM 0 H LYS A 93 -7.314 -6.074 1.437 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.200 -8.202 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.661 -6.749 -1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.619 -6.756 0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.532 -8.122 -1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.143 -9.218 -0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.887 -10.013 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.910 -8.566 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.362 -10.152 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -5.748 -10.898 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.501 -9.550 -4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.051 -8.896 -4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.708 -8.173 -3.963 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.303 -8.997 2.320 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.886 -10.108 3.157 1.00 0.00 C ATOM 1409 C VAL A 94 -7.117 -10.732 3.819 1.00 0.00 C ATOM 1410 O VAL A 94 -7.379 -11.922 3.653 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.838 -9.638 4.168 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -4.219 -10.825 4.908 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.759 -8.794 3.486 1.00 0.00 C ATOM 0 H VAL A 94 -5.970 -8.083 2.628 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.412 -10.883 2.554 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.340 -9.010 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.478 -10.463 5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.999 -11.369 5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.738 -11.490 4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.026 -8.473 4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.263 -9.389 2.719 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.218 -7.919 3.026 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.839 -9.900 4.555 1.00 0.00 N ATOM 1424 CA GLN A 95 -9.035 -10.355 5.243 1.00 0.00 C ATOM 1425 C GLN A 95 -9.780 -11.383 4.388 1.00 0.00 C ATOM 1426 O GLN A 95 -10.219 -12.415 4.894 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.944 -9.177 5.600 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.277 -8.263 6.630 1.00 0.00 C ATOM 1429 CD GLN A 95 -10.318 -7.627 7.553 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.202 -8.282 8.080 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -10.165 -6.316 7.719 1.00 0.00 N ATOM 0 H GLN A 95 -7.619 -8.913 4.690 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.735 -10.835 6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.178 -8.608 4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.889 -9.549 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.563 -8.836 7.221 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.714 -7.482 6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.403 -5.828 7.248 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.810 -5.799 8.317 1.00 0.00 H new ATOM 1440 N THR A 96 -9.900 -11.065 3.108 1.00 0.00 N ATOM 1441 CA THR A 96 -10.584 -11.948 2.178 1.00 0.00 C ATOM 1442 C THR A 96 -9.793 -13.244 1.994 1.00 0.00 C ATOM 1443 O THR A 96 -10.342 -14.336 2.136 1.00 0.00 O ATOM 1444 CB THR A 96 -10.805 -11.180 0.873 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.835 -10.247 1.189 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.418 -12.054 -0.223 1.00 0.00 C ATOM 0 H THR A 96 -9.535 -10.208 2.692 1.00 0.00 H new ATOM 0 HA THR A 96 -11.558 -12.251 2.563 1.00 0.00 H new ATOM 0 HB THR A 96 -9.855 -10.774 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.676 -10.727 1.339 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.554 -11.461 -1.127 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.753 -12.892 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.384 -12.433 0.111 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.516 -13.082 1.681 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.644 -14.226 1.476 1.00 0.00 C ATOM 1456 C ILE A 97 -7.643 -15.093 2.737 1.00 0.00 C ATOM 1457 O ILE A 97 -7.670 -16.320 2.651 1.00 0.00 O ATOM 1458 CB ILE A 97 -6.250 -13.767 1.044 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -6.329 -12.856 -0.183 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -5.326 -14.963 0.812 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -5.182 -11.843 -0.189 1.00 0.00 C ATOM 0 H ILE A 97 -8.064 -12.175 1.564 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.016 -14.847 0.661 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.817 -13.180 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.292 -13.458 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.284 -12.330 -0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.342 -14.608 0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -5.234 -15.536 1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.742 -15.598 0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.262 -11.208 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.237 -11.226 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.229 -12.372 -0.208 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.611 -14.421 3.878 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.606 -15.115 5.155 1.00 0.00 C ATOM 1475 C LEU A 98 -8.858 -15.988 5.261 1.00 0.00 C ATOM 1476 O LEU A 98 -8.777 -17.152 5.652 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.452 -14.119 6.306 1.00 0.00 C ATOM 1478 CG LEU A 98 -6.057 -14.020 6.925 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.971 -12.844 7.900 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.654 -15.341 7.584 1.00 0.00 C ATOM 0 H LEU A 98 -7.588 -13.403 3.945 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.746 -15.781 5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.739 -13.131 5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.158 -14.390 7.091 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.342 -13.828 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.969 -12.797 8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.184 -11.916 7.370 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.699 -12.981 8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.658 -15.243 8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.368 -15.588 8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.649 -16.134 6.836 1.00 0.00 H new ATOM 1492 N GLU A 99 -9.988 -15.393 4.906 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.255 -16.102 4.956 1.00 0.00 C ATOM 1494 C GLU A 99 -11.229 -17.303 4.008 1.00 0.00 C ATOM 1495 O GLU A 99 -11.865 -18.322 4.274 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.420 -15.167 4.626 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.491 -15.218 5.717 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.867 -14.862 5.152 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -15.039 -13.682 4.778 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -15.717 -15.778 5.107 1.00 0.00 O ATOM 0 H GLU A 99 -10.052 -14.428 4.583 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.404 -16.469 5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.053 -14.146 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.858 -15.450 3.669 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.521 -16.215 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.233 -14.525 6.518 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.488 -17.143 2.922 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.371 -18.201 1.933 1.00 0.00 C ATOM 1509 C LYS A 100 -9.648 -19.397 2.555 1.00 0.00 C ATOM 1510 O LYS A 100 -10.205 -20.491 2.636 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.706 -17.674 0.660 1.00 0.00 C ATOM 1512 CG LYS A 100 -10.751 -17.345 -0.409 1.00 0.00 C ATOM 1513 CD LYS A 100 -10.503 -15.959 -1.009 1.00 0.00 C ATOM 1514 CE LYS A 100 -9.548 -16.041 -2.201 1.00 0.00 C ATOM 1515 NZ LYS A 100 -9.884 -15.007 -3.206 1.00 0.00 N ATOM 0 H LYS A 100 -9.962 -16.296 2.705 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.358 -18.548 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.124 -16.782 0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.009 -18.418 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -10.720 -18.097 -1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.749 -17.383 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.450 -15.521 -1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.086 -15.299 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.521 -15.907 -1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.607 -17.030 -2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.226 -15.076 -4.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.857 -15.153 -3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.805 -14.064 -2.774 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.417 -19.149 2.978 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.611 -20.191 3.591 1.00 0.00 C ATOM 1531 C LEU A 101 -8.492 -21.031 4.518 1.00 0.00 C ATOM 1532 O LEU A 101 -8.476 -22.259 4.451 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.389 -19.586 4.284 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.429 -20.581 4.939 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.750 -21.461 3.888 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -4.412 -19.859 5.825 1.00 0.00 C ATOM 0 H LEU A 101 -7.958 -18.241 2.908 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.215 -20.864 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.832 -19.003 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.736 -18.890 5.048 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.009 -21.240 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.073 -22.159 4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.507 -22.018 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.186 -20.834 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.742 -20.589 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.833 -19.161 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.936 -19.312 6.609 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.239 -20.336 5.363 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.124 -21.002 6.303 1.00 0.00 C ATOM 1550 C GLU A 102 -10.855 -22.157 5.616 1.00 0.00 C ATOM 1551 O GLU A 102 -10.587 -23.323 5.899 1.00 0.00 O ATOM 1552 CB GLU A 102 -11.116 -20.013 6.918 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.640 -19.543 8.294 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.816 -19.396 9.261 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -12.825 -18.789 8.839 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -11.681 -19.894 10.399 1.00 0.00 O ATOM 0 H GLU A 102 -9.249 -19.317 5.416 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.520 -21.411 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.235 -19.154 6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.095 -20.484 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.921 -20.256 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.123 -18.588 8.197 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.766 -21.792 4.725 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.538 -22.783 3.995 1.00 0.00 C ATOM 1565 C GLN A 103 -11.609 -23.687 3.182 1.00 0.00 C ATOM 1566 O GLN A 103 -11.759 -24.907 3.193 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.578 -22.113 3.094 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.849 -21.780 3.878 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.826 -22.957 3.864 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -16.072 -23.582 2.845 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -16.368 -23.224 5.048 1.00 0.00 N ATOM 0 H GLN A 103 -11.986 -20.824 4.492 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.074 -23.401 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -13.161 -21.201 2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.822 -22.773 2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.591 -21.529 4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.327 -20.901 3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.119 -22.662 5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -17.033 -23.991 5.143 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.669 -23.052 2.497 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.716 -23.783 1.680 1.00 0.00 C ATOM 1582 C LYS A 104 -9.168 -24.967 2.480 1.00 0.00 C ATOM 1583 O LYS A 104 -8.990 -26.057 1.939 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.631 -22.843 1.151 1.00 0.00 C ATOM 1585 CG LYS A 104 -9.248 -21.661 0.401 1.00 0.00 C ATOM 1586 CD LYS A 104 -9.040 -21.801 -1.108 1.00 0.00 C ATOM 1587 CE LYS A 104 -9.749 -23.045 -1.647 1.00 0.00 C ATOM 1588 NZ LYS A 104 -9.831 -22.997 -3.124 1.00 0.00 N ATOM 0 H LYS A 104 -10.547 -22.039 2.491 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.207 -24.194 0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -8.026 -22.476 1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.962 -23.391 0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.314 -21.603 0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.799 -20.731 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.420 -20.914 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.974 -21.862 -1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.211 -23.941 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.751 -23.112 -1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.593 -23.625 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.031 -22.023 -3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.927 -23.309 -3.532 1.00 0.00 H new ATOM 1602 N ALA A 105 -8.915 -24.711 3.755 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.390 -25.742 4.635 1.00 0.00 C ATOM 1604 C ALA A 105 -9.421 -26.864 4.771 1.00 0.00 C ATOM 1605 O ALA A 105 -9.068 -28.042 4.758 1.00 0.00 O ATOM 1606 CB ALA A 105 -8.022 -25.122 5.985 1.00 0.00 C ATOM 0 H ALA A 105 -9.064 -23.805 4.200 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.482 -26.177 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.628 -25.895 6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.266 -24.351 5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.910 -24.678 6.435 1.00 0.00 H new ATOM 1612 N SER A 106 -10.676 -26.459 4.897 1.00 0.00 N ATOM 1613 CA SER A 106 -11.762 -27.415 5.035 1.00 0.00 C ATOM 1614 C SER A 106 -12.119 -28.002 3.668 1.00 0.00 C ATOM 1615 O SER A 106 -13.041 -28.808 3.556 1.00 0.00 O ATOM 1616 CB SER A 106 -12.991 -26.765 5.672 1.00 0.00 C ATOM 1617 OG SER A 106 -12.680 -26.130 6.909 1.00 0.00 O ATOM 0 H SER A 106 -10.965 -25.481 4.906 1.00 0.00 H new ATOM 0 HA SER A 106 -11.429 -28.218 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 106 -13.410 -26.031 4.984 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.757 -27.523 5.836 1.00 0.00 H new ATOM 0 HG SER A 106 -13.491 -25.726 7.282 1.00 0.00 H new ATOM 1623 N GLY A 107 -11.370 -27.574 2.662 1.00 0.00 N ATOM 1624 CA GLY A 107 -11.597 -28.046 1.307 1.00 0.00 C ATOM 1625 C GLY A 107 -12.125 -26.921 0.415 1.00 0.00 C ATOM 1626 O GLY A 107 -12.666 -25.934 0.910 1.00 0.00 O ATOM 0 H GLY A 107 -10.606 -26.906 2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -10.667 -28.436 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -12.311 -28.870 1.320 1.00 0.00 H new ATOM 1630 N PRO A 108 -11.945 -27.112 -0.919 1.00 0.00 N ATOM 1631 CA PRO A 108 -12.397 -26.126 -1.885 1.00 0.00 C ATOM 1632 C PRO A 108 -13.918 -26.175 -2.048 1.00 0.00 C ATOM 1633 O PRO A 108 -14.564 -25.139 -2.196 1.00 0.00 O ATOM 1634 CB PRO A 108 -11.651 -26.458 -3.167 1.00 0.00 C ATOM 1635 CG PRO A 108 -11.166 -27.890 -3.007 1.00 0.00 C ATOM 1636 CD PRO A 108 -11.308 -28.269 -1.542 1.00 0.00 C ATOM 0 HA PRO A 108 -12.186 -25.104 -1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -12.303 -26.361 -4.035 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -10.814 -25.777 -3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -11.751 -28.563 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -10.127 -27.979 -3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -11.914 -29.167 -1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -10.338 -28.477 -1.091 1.00 0.00 H new ATOM 1644 N SER A 109 -14.445 -27.390 -2.015 1.00 0.00 N ATOM 1645 CA SER A 109 -15.877 -27.588 -2.158 1.00 0.00 C ATOM 1646 C SER A 109 -16.635 -26.515 -1.373 1.00 0.00 C ATOM 1647 O SER A 109 -16.731 -26.587 -0.149 1.00 0.00 O ATOM 1648 CB SER A 109 -16.291 -28.983 -1.684 1.00 0.00 C ATOM 1649 OG SER A 109 -15.835 -29.253 -0.361 1.00 0.00 O ATOM 0 H SER A 109 -13.906 -28.247 -1.891 1.00 0.00 H new ATOM 0 HA SER A 109 -16.129 -27.503 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 109 -17.377 -29.070 -1.718 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.889 -29.732 -2.366 1.00 0.00 H new ATOM 0 HG SER A 109 -15.936 -28.449 0.190 1.00 0.00 H new ATOM 1655 N SER A 110 -17.153 -25.543 -2.110 1.00 0.00 N ATOM 1656 CA SER A 110 -17.899 -24.456 -1.499 1.00 0.00 C ATOM 1657 C SER A 110 -19.258 -24.963 -1.014 1.00 0.00 C ATOM 1658 O SER A 110 -19.646 -26.092 -1.309 1.00 0.00 O ATOM 1659 CB SER A 110 -18.083 -23.295 -2.478 1.00 0.00 C ATOM 1660 OG SER A 110 -16.863 -22.599 -2.716 1.00 0.00 O ATOM 0 H SER A 110 -17.071 -25.486 -3.125 1.00 0.00 H new ATOM 0 HA SER A 110 -17.330 -24.088 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 110 -18.474 -23.675 -3.422 1.00 0.00 H new ATOM 0 HB3 SER A 110 -18.825 -22.601 -2.082 1.00 0.00 H new ATOM 0 HG SER A 110 -17.022 -21.866 -3.347 1.00 0.00 H new ATOM 1666 N GLY A 111 -19.946 -24.102 -0.277 1.00 0.00 N ATOM 1667 CA GLY A 111 -21.255 -24.448 0.251 1.00 0.00 C ATOM 1668 C GLY A 111 -21.194 -25.746 1.060 1.00 0.00 C ATOM 1669 O GLY A 111 -20.124 -26.147 1.516 1.00 0.00 O ATOM 0 H GLY A 111 -19.621 -23.166 -0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -21.622 -23.639 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -21.964 -24.559 -0.569 1.00 0.00 H new TER 1673 GLY A 111