USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=23 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 Set 1.1: A 53 LYS NZ :NH3+ -131:sc= 0.659 (180deg=0) USER MOD Set 1.2: A 106 SER OG : rot -145:sc= 0.67 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.058 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 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 -9:sc= 0.533 USER MOD Single : A 25 LYS NZ :NH3+ 149:sc= 0.608 (180deg=0.128) USER MOD Single : A 26 HIS : no HD1:sc= -4.2! C(o=-4.2!,f=-14!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -123:sc= 1.08 (180deg=-0.0967) USER MOD Single : A 40 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.4) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -62:sc= 1.01 USER MOD Single : A 52 LYS NZ :NH3+ 147:sc= 1.2 (180deg=-0.109) USER MOD Single : A 54 THR OG1 : rot 180:sc=-0.00698 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= -0.256 USER MOD Single : A 60 MET CE :methyl 140:sc= -4.09! (180deg=-12.4!) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.0169 USER MOD Single : A 66 THR OG1 : rot 125:sc= 1.08 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.65 K(o=-0.65,f=-1.4!) USER MOD Single : A 96 THR OG1 : rot 85:sc= 0.714 USER MOD Single : A 100 LYS NZ :NH3+ -128:sc= -1.64 (180deg=-4.72!) USER MOD Single : A 103 GLN : amide:sc= 0.00117 X(o=0.0012,f=-0.19) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.900 -13.503 19.218 1.00 0.00 N ATOM 2 CA GLY A 1 7.783 -14.393 18.956 1.00 0.00 C ATOM 3 C GLY A 1 6.485 -13.605 18.771 1.00 0.00 C ATOM 4 O GLY A 1 6.323 -12.526 19.339 1.00 0.00 O ATOM 0 H1 GLY A 1 9.529 -13.482 18.390 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.543 -12.544 19.406 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.429 -13.844 20.046 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.985 -14.982 18.062 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.672 -15.095 19.782 1.00 0.00 H new ATOM 8 N SER A 2 5.592 -14.174 17.974 1.00 0.00 N ATOM 9 CA SER A 2 4.314 -13.538 17.707 1.00 0.00 C ATOM 10 C SER A 2 3.311 -14.574 17.194 1.00 0.00 C ATOM 11 O SER A 2 3.700 -15.578 16.599 1.00 0.00 O ATOM 12 CB SER A 2 4.465 -12.400 16.697 1.00 0.00 C ATOM 13 OG SER A 2 5.172 -12.812 15.530 1.00 0.00 O ATOM 0 H SER A 2 5.729 -15.069 17.505 1.00 0.00 H new ATOM 0 HA SER A 2 3.943 -13.112 18.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.478 -12.034 16.413 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.991 -11.568 17.165 1.00 0.00 H new ATOM 0 HG SER A 2 5.246 -12.058 14.909 1.00 0.00 H new ATOM 19 N SER A 3 2.040 -14.294 17.442 1.00 0.00 N ATOM 20 CA SER A 3 0.979 -15.188 17.012 1.00 0.00 C ATOM 21 C SER A 3 -0.385 -14.574 17.331 1.00 0.00 C ATOM 22 O SER A 3 -0.489 -13.694 18.185 1.00 0.00 O ATOM 23 CB SER A 3 1.112 -16.560 17.677 1.00 0.00 C ATOM 24 OG SER A 3 1.273 -16.455 19.089 1.00 0.00 O ATOM 0 H SER A 3 1.721 -13.460 17.936 1.00 0.00 H new ATOM 0 HA SER A 3 1.064 -15.326 15.934 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.227 -17.157 17.456 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.966 -17.087 17.253 1.00 0.00 H new ATOM 0 HG SER A 3 1.353 -17.352 19.477 1.00 0.00 H new ATOM 30 N GLY A 4 -1.397 -15.061 16.629 1.00 0.00 N ATOM 31 CA GLY A 4 -2.751 -14.571 16.827 1.00 0.00 C ATOM 32 C GLY A 4 -3.696 -15.123 15.758 1.00 0.00 C ATOM 33 O GLY A 4 -3.262 -15.811 14.836 1.00 0.00 O ATOM 0 H GLY A 4 -1.307 -15.790 15.922 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.106 -14.861 17.816 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.756 -13.482 16.794 1.00 0.00 H new ATOM 37 N SER A 5 -4.971 -14.801 15.918 1.00 0.00 N ATOM 38 CA SER A 5 -5.982 -15.256 14.978 1.00 0.00 C ATOM 39 C SER A 5 -7.315 -14.564 15.267 1.00 0.00 C ATOM 40 O SER A 5 -7.626 -14.264 16.419 1.00 0.00 O ATOM 41 CB SER A 5 -6.148 -16.776 15.042 1.00 0.00 C ATOM 42 OG SER A 5 -6.344 -17.236 16.377 1.00 0.00 O ATOM 0 H SER A 5 -5.328 -14.230 16.685 1.00 0.00 H new ATOM 0 HA SER A 5 -5.656 -14.995 13.971 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.997 -17.074 14.427 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.265 -17.255 14.619 1.00 0.00 H new ATOM 0 HG SER A 5 -6.447 -18.211 16.375 1.00 0.00 H new ATOM 48 N SER A 6 -8.067 -14.330 14.202 1.00 0.00 N ATOM 49 CA SER A 6 -9.360 -13.679 14.326 1.00 0.00 C ATOM 50 C SER A 6 -10.097 -13.718 12.986 1.00 0.00 C ATOM 51 O SER A 6 -9.493 -13.509 11.935 1.00 0.00 O ATOM 52 CB SER A 6 -9.204 -12.234 14.805 1.00 0.00 C ATOM 53 OG SER A 6 -9.911 -11.994 16.019 1.00 0.00 O ATOM 0 H SER A 6 -7.805 -14.580 13.248 1.00 0.00 H new ATOM 0 HA SER A 6 -9.945 -14.219 15.070 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.147 -12.013 14.952 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.568 -11.555 14.034 1.00 0.00 H new ATOM 0 HG SER A 6 -9.785 -11.061 16.292 1.00 0.00 H new ATOM 59 N GLY A 7 -11.392 -13.988 13.067 1.00 0.00 N ATOM 60 CA GLY A 7 -12.217 -14.057 11.874 1.00 0.00 C ATOM 61 C GLY A 7 -13.668 -13.688 12.189 1.00 0.00 C ATOM 62 O GLY A 7 -14.160 -13.966 13.281 1.00 0.00 O ATOM 0 H GLY A 7 -11.889 -14.161 13.940 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.823 -13.381 11.115 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.176 -15.063 11.457 1.00 0.00 H new ATOM 66 N ALA A 8 -14.313 -13.067 11.212 1.00 0.00 N ATOM 67 CA ALA A 8 -15.697 -12.656 11.371 1.00 0.00 C ATOM 68 C ALA A 8 -16.489 -13.053 10.123 1.00 0.00 C ATOM 69 O ALA A 8 -15.931 -13.140 9.031 1.00 0.00 O ATOM 70 CB ALA A 8 -15.756 -11.152 11.645 1.00 0.00 C ATOM 0 H ALA A 8 -13.902 -12.839 10.307 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.151 -13.160 12.224 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.795 -10.844 11.764 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.204 -10.926 12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.311 -10.612 10.809 1.00 0.00 H new ATOM 76 N PRO A 9 -17.812 -13.289 10.333 1.00 0.00 N ATOM 77 CA PRO A 9 -18.686 -13.674 9.238 1.00 0.00 C ATOM 78 C PRO A 9 -19.006 -12.475 8.344 1.00 0.00 C ATOM 79 O PRO A 9 -18.614 -11.349 8.645 1.00 0.00 O ATOM 80 CB PRO A 9 -19.918 -14.262 9.907 1.00 0.00 C ATOM 81 CG PRO A 9 -19.892 -13.762 11.342 1.00 0.00 C ATOM 82 CD PRO A 9 -18.508 -13.195 11.613 1.00 0.00 C ATOM 0 HA PRO A 9 -18.227 -14.401 8.569 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -20.828 -13.943 9.399 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.899 -15.351 9.873 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -20.654 -12.998 11.494 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -20.114 -14.575 12.034 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -18.564 -12.163 11.959 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -17.992 -13.763 12.387 1.00 0.00 H new ATOM 90 N ALA A 10 -19.716 -12.757 7.261 1.00 0.00 N ATOM 91 CA ALA A 10 -20.094 -11.716 6.321 1.00 0.00 C ATOM 92 C ALA A 10 -18.831 -11.058 5.762 1.00 0.00 C ATOM 93 O ALA A 10 -18.081 -10.419 6.499 1.00 0.00 O ATOM 94 CB ALA A 10 -21.016 -10.711 7.015 1.00 0.00 C ATOM 0 H ALA A 10 -20.039 -13.692 7.014 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.646 -12.139 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.300 -9.930 6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.911 -11.223 7.369 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -20.495 -10.264 7.862 1.00 0.00 H new ATOM 100 N GLU A 11 -18.634 -11.237 4.464 1.00 0.00 N ATOM 101 CA GLU A 11 -17.475 -10.668 3.797 1.00 0.00 C ATOM 102 C GLU A 11 -17.454 -11.081 2.324 1.00 0.00 C ATOM 103 O GLU A 11 -17.018 -12.181 1.990 1.00 0.00 O ATOM 104 CB GLU A 11 -16.181 -11.082 4.500 1.00 0.00 C ATOM 105 CG GLU A 11 -15.537 -9.889 5.211 1.00 0.00 C ATOM 106 CD GLU A 11 -14.406 -10.346 6.135 1.00 0.00 C ATOM 107 OE1 GLU A 11 -13.298 -10.577 5.604 1.00 0.00 O ATOM 108 OE2 GLU A 11 -14.676 -10.454 7.350 1.00 0.00 O ATOM 0 H GLU A 11 -19.258 -11.768 3.856 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.547 -9.582 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.392 -11.870 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.484 -11.496 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.147 -9.188 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.291 -9.356 5.790 1.00 0.00 H new ATOM 115 N PRO A 12 -17.944 -10.151 1.460 1.00 0.00 N ATOM 116 CA PRO A 12 -17.986 -10.407 0.031 1.00 0.00 C ATOM 117 C PRO A 12 -16.591 -10.297 -0.588 1.00 0.00 C ATOM 118 O PRO A 12 -15.741 -9.564 -0.083 1.00 0.00 O ATOM 119 CB PRO A 12 -18.964 -9.384 -0.524 1.00 0.00 C ATOM 120 CG PRO A 12 -19.078 -8.300 0.536 1.00 0.00 C ATOM 121 CD PRO A 12 -18.469 -8.837 1.820 1.00 0.00 C ATOM 0 HA PRO A 12 -18.313 -11.420 -0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.605 -8.972 -1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.934 -9.839 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.558 -7.397 0.216 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.122 -8.028 0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.679 -8.182 2.188 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -19.215 -8.912 2.611 1.00 0.00 H new ATOM 129 N ALA A 13 -16.399 -11.035 -1.671 1.00 0.00 N ATOM 130 CA ALA A 13 -15.121 -11.029 -2.363 1.00 0.00 C ATOM 131 C ALA A 13 -14.690 -9.583 -2.617 1.00 0.00 C ATOM 132 O ALA A 13 -15.473 -8.655 -2.420 1.00 0.00 O ATOM 133 CB ALA A 13 -15.237 -11.839 -3.656 1.00 0.00 C ATOM 0 H ALA A 13 -17.106 -11.641 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.351 -11.500 -1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.279 -11.835 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.516 -12.865 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.999 -11.395 -4.297 1.00 0.00 H new ATOM 139 N ALA A 14 -13.447 -9.437 -3.052 1.00 0.00 N ATOM 140 CA ALA A 14 -12.904 -8.120 -3.336 1.00 0.00 C ATOM 141 C ALA A 14 -12.409 -8.078 -4.783 1.00 0.00 C ATOM 142 O ALA A 14 -12.165 -9.119 -5.390 1.00 0.00 O ATOM 143 CB ALA A 14 -11.795 -7.798 -2.332 1.00 0.00 C ATOM 0 H ALA A 14 -12.801 -10.209 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.674 -7.356 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.387 -6.810 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.204 -7.812 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.003 -8.542 -2.413 1.00 0.00 H new ATOM 149 N PRO A 15 -12.273 -6.831 -5.308 1.00 0.00 N ATOM 150 CA PRO A 15 -11.812 -6.639 -6.672 1.00 0.00 C ATOM 151 C PRO A 15 -10.307 -6.887 -6.783 1.00 0.00 C ATOM 152 O PRO A 15 -9.636 -7.112 -5.777 1.00 0.00 O ATOM 153 CB PRO A 15 -12.207 -5.214 -7.024 1.00 0.00 C ATOM 154 CG PRO A 15 -12.454 -4.511 -5.700 1.00 0.00 C ATOM 155 CD PRO A 15 -12.553 -5.574 -4.619 1.00 0.00 C ATOM 0 HA PRO A 15 -12.259 -7.346 -7.370 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -11.417 -4.718 -7.588 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.101 -5.199 -7.647 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.643 -3.817 -5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -13.372 -3.925 -5.744 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -11.836 -5.393 -3.819 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -13.543 -5.584 -4.163 1.00 0.00 H new ATOM 163 N LYS A 16 -9.820 -6.838 -8.014 1.00 0.00 N ATOM 164 CA LYS A 16 -8.406 -7.055 -8.269 1.00 0.00 C ATOM 165 C LYS A 16 -7.892 -5.972 -9.220 1.00 0.00 C ATOM 166 O LYS A 16 -8.653 -5.109 -9.653 1.00 0.00 O ATOM 167 CB LYS A 16 -8.165 -8.480 -8.772 1.00 0.00 C ATOM 168 CG LYS A 16 -8.166 -9.478 -7.612 1.00 0.00 C ATOM 169 CD LYS A 16 -8.954 -10.739 -7.975 1.00 0.00 C ATOM 170 CE LYS A 16 -8.485 -11.936 -7.146 1.00 0.00 C ATOM 171 NZ LYS A 16 -8.308 -13.126 -8.008 1.00 0.00 N ATOM 0 H LYS A 16 -10.380 -6.651 -8.846 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.834 -6.967 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.938 -8.751 -9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.211 -8.528 -9.297 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.141 -9.746 -7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.603 -9.013 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.017 -10.569 -7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.831 -10.956 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.545 -11.696 -6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.213 -12.151 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.989 -13.929 -7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.213 -13.364 -8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.597 -12.922 -8.739 1.00 0.00 H new ATOM 185 N SER A 17 -6.603 -6.053 -9.516 1.00 0.00 N ATOM 186 CA SER A 17 -5.978 -5.091 -10.407 1.00 0.00 C ATOM 187 C SER A 17 -4.941 -5.790 -11.288 1.00 0.00 C ATOM 188 O SER A 17 -4.328 -6.772 -10.871 1.00 0.00 O ATOM 189 CB SER A 17 -5.324 -3.954 -9.618 1.00 0.00 C ATOM 190 OG SER A 17 -5.939 -2.697 -9.886 1.00 0.00 O ATOM 0 H SER A 17 -5.974 -6.770 -9.154 1.00 0.00 H new ATOM 0 HA SER A 17 -6.752 -4.659 -11.041 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.388 -4.169 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.265 -3.901 -9.869 1.00 0.00 H new ATOM 0 HG SER A 17 -5.495 -1.997 -9.363 1.00 0.00 H new ATOM 196 N GLY A 18 -4.776 -5.257 -12.490 1.00 0.00 N ATOM 197 CA GLY A 18 -3.824 -5.818 -13.433 1.00 0.00 C ATOM 198 C GLY A 18 -3.779 -4.994 -14.722 1.00 0.00 C ATOM 199 O GLY A 18 -4.256 -5.441 -15.764 1.00 0.00 O ATOM 0 H GLY A 18 -5.286 -4.442 -12.832 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.833 -5.847 -12.981 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.099 -6.847 -13.664 1.00 0.00 H new ATOM 203 N GLU A 19 -3.203 -3.807 -14.608 1.00 0.00 N ATOM 204 CA GLU A 19 -3.090 -2.917 -15.751 1.00 0.00 C ATOM 205 C GLU A 19 -1.619 -2.620 -16.049 1.00 0.00 C ATOM 206 O GLU A 19 -0.749 -2.874 -15.217 1.00 0.00 O ATOM 207 CB GLU A 19 -3.874 -1.624 -15.519 1.00 0.00 C ATOM 208 CG GLU A 19 -5.203 -1.646 -16.277 1.00 0.00 C ATOM 209 CD GLU A 19 -6.245 -0.767 -15.581 1.00 0.00 C ATOM 210 OE1 GLU A 19 -6.132 0.469 -15.724 1.00 0.00 O ATOM 211 OE2 GLU A 19 -7.131 -1.352 -14.921 1.00 0.00 O ATOM 0 H GLU A 19 -2.809 -3.440 -13.741 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.523 -3.415 -16.618 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.061 -1.494 -14.453 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.279 -0.770 -15.845 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.050 -1.296 -17.298 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.571 -2.670 -16.343 1.00 0.00 H new ATOM 218 N ALA A 20 -1.385 -2.087 -17.240 1.00 0.00 N ATOM 219 CA ALA A 20 -0.034 -1.753 -17.658 1.00 0.00 C ATOM 220 C ALA A 20 0.243 -0.281 -17.344 1.00 0.00 C ATOM 221 O ALA A 20 -0.664 0.457 -16.961 1.00 0.00 O ATOM 222 CB ALA A 20 0.134 -2.074 -19.144 1.00 0.00 C ATOM 0 H ALA A 20 -2.108 -1.878 -17.928 1.00 0.00 H new ATOM 0 HA ALA A 20 0.696 -2.350 -17.111 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.147 -1.824 -19.458 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.045 -3.136 -19.309 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.580 -1.491 -19.725 1.00 0.00 H new ATOM 228 N GLU A 21 1.499 0.101 -17.518 1.00 0.00 N ATOM 229 CA GLU A 21 1.907 1.471 -17.258 1.00 0.00 C ATOM 230 C GLU A 21 1.677 1.824 -15.787 1.00 0.00 C ATOM 231 O GLU A 21 0.610 1.550 -15.239 1.00 0.00 O ATOM 232 CB GLU A 21 1.170 2.447 -18.177 1.00 0.00 C ATOM 233 CG GLU A 21 2.004 3.705 -18.424 1.00 0.00 C ATOM 234 CD GLU A 21 1.369 4.582 -19.505 1.00 0.00 C ATOM 235 OE1 GLU A 21 0.854 3.995 -20.481 1.00 0.00 O ATOM 236 OE2 GLU A 21 1.412 5.819 -19.330 1.00 0.00 O ATOM 0 H GLU A 21 2.248 -0.514 -17.836 1.00 0.00 H new ATOM 0 HA GLU A 21 2.973 1.558 -17.470 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.949 1.961 -19.127 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.215 2.722 -17.730 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.095 4.272 -17.498 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.013 3.423 -18.726 1.00 0.00 H new ATOM 243 N THR A 22 2.694 2.426 -15.189 1.00 0.00 N ATOM 244 CA THR A 22 2.616 2.819 -13.792 1.00 0.00 C ATOM 245 C THR A 22 3.460 4.070 -13.542 1.00 0.00 C ATOM 246 O THR A 22 4.654 3.972 -13.264 1.00 0.00 O ATOM 247 CB THR A 22 3.039 1.620 -12.940 1.00 0.00 C ATOM 248 OG1 THR A 22 1.988 0.676 -13.124 1.00 0.00 O ATOM 249 CG2 THR A 22 3.006 1.927 -11.441 1.00 0.00 C ATOM 0 H THR A 22 3.577 2.652 -15.646 1.00 0.00 H new ATOM 0 HA THR A 22 1.598 3.091 -13.514 1.00 0.00 H new ATOM 0 HB THR A 22 4.044 1.308 -13.225 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.245 1.102 -13.601 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.315 1.044 -10.882 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.686 2.750 -11.223 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.994 2.206 -11.149 1.00 0.00 H new ATOM 257 N PRO A 23 2.788 5.247 -13.653 1.00 0.00 N ATOM 258 CA PRO A 23 3.464 6.517 -13.442 1.00 0.00 C ATOM 259 C PRO A 23 3.718 6.762 -11.953 1.00 0.00 C ATOM 260 O PRO A 23 3.233 6.014 -11.105 1.00 0.00 O ATOM 261 CB PRO A 23 2.549 7.557 -14.067 1.00 0.00 C ATOM 262 CG PRO A 23 1.187 6.895 -14.191 1.00 0.00 C ATOM 263 CD PRO A 23 1.374 5.401 -13.981 1.00 0.00 C ATOM 0 HA PRO A 23 4.453 6.549 -13.899 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.493 8.451 -13.446 1.00 0.00 H new ATOM 0 HB3 PRO A 23 2.922 7.869 -15.043 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.497 7.301 -13.452 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.755 7.091 -15.172 1.00 0.00 H new ATOM 0 HD2 PRO A 23 0.738 5.032 -13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.112 4.839 -14.878 1.00 0.00 H new ATOM 271 N PRO A 24 4.498 7.840 -11.673 1.00 0.00 N ATOM 272 CA PRO A 24 4.822 8.193 -10.301 1.00 0.00 C ATOM 273 C PRO A 24 3.623 8.836 -9.602 1.00 0.00 C ATOM 274 O PRO A 24 3.047 9.797 -10.108 1.00 0.00 O ATOM 275 CB PRO A 24 6.018 9.125 -10.407 1.00 0.00 C ATOM 276 CG PRO A 24 6.029 9.628 -11.841 1.00 0.00 C ATOM 277 CD PRO A 24 5.090 8.748 -12.651 1.00 0.00 C ATOM 0 HA PRO A 24 5.064 7.324 -9.689 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.931 9.953 -9.703 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.944 8.601 -10.170 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.708 10.669 -11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.038 9.589 -12.252 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.326 9.341 -13.154 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.629 8.201 -13.424 1.00 0.00 H new ATOM 285 N LYS A 25 3.281 8.278 -8.449 1.00 0.00 N ATOM 286 CA LYS A 25 2.161 8.785 -7.676 1.00 0.00 C ATOM 287 C LYS A 25 2.617 9.054 -6.240 1.00 0.00 C ATOM 288 O LYS A 25 3.726 9.538 -6.018 1.00 0.00 O ATOM 289 CB LYS A 25 0.968 7.832 -7.773 1.00 0.00 C ATOM 290 CG LYS A 25 1.302 6.470 -7.161 1.00 0.00 C ATOM 291 CD LYS A 25 0.307 5.403 -7.622 1.00 0.00 C ATOM 292 CE LYS A 25 0.474 4.114 -6.814 1.00 0.00 C ATOM 293 NZ LYS A 25 -0.818 3.707 -6.216 1.00 0.00 N ATOM 0 H LYS A 25 3.760 7.480 -8.032 1.00 0.00 H new ATOM 0 HA LYS A 25 1.816 9.735 -8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.110 8.265 -7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.683 7.705 -8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.313 6.177 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.286 6.542 -6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.711 5.777 -7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.456 5.195 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.850 3.319 -7.459 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.214 4.264 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.855 2.670 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.909 4.126 -5.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.599 4.038 -6.818 1.00 0.00 H new ATOM 307 N HIS A 26 1.740 8.727 -5.303 1.00 0.00 N ATOM 308 CA HIS A 26 2.039 8.927 -3.895 1.00 0.00 C ATOM 309 C HIS A 26 2.688 7.665 -3.324 1.00 0.00 C ATOM 310 O HIS A 26 2.260 6.552 -3.625 1.00 0.00 O ATOM 311 CB HIS A 26 0.784 9.348 -3.128 1.00 0.00 C ATOM 312 CG HIS A 26 1.063 9.898 -1.749 1.00 0.00 C ATOM 313 ND1 HIS A 26 1.512 9.109 -0.704 1.00 0.00 N ATOM 314 CD2 HIS A 26 0.952 11.164 -1.256 1.00 0.00 C ATOM 315 CE1 HIS A 26 1.661 9.877 0.365 1.00 0.00 C ATOM 316 NE2 HIS A 26 1.313 11.150 0.022 1.00 0.00 N ATOM 0 H HIS A 26 0.822 8.325 -5.491 1.00 0.00 H new ATOM 0 HA HIS A 26 2.753 9.743 -3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.252 10.102 -3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.120 8.488 -3.038 1.00 0.00 H new ATOM 0 HD2 HIS A 26 0.626 12.031 -1.811 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.999 9.552 1.338 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.328 11.958 0.644 1.00 0.00 H new ATOM 324 N PRO A 27 3.738 7.886 -2.489 1.00 0.00 N ATOM 325 CA PRO A 27 4.451 6.780 -1.873 1.00 0.00 C ATOM 326 C PRO A 27 3.631 6.165 -0.736 1.00 0.00 C ATOM 327 O PRO A 27 3.668 4.954 -0.525 1.00 0.00 O ATOM 328 CB PRO A 27 5.768 7.374 -1.402 1.00 0.00 C ATOM 329 CG PRO A 27 5.553 8.878 -1.352 1.00 0.00 C ATOM 330 CD PRO A 27 4.273 9.191 -2.110 1.00 0.00 C ATOM 0 HA PRO A 27 4.627 5.955 -2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.043 6.986 -0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.578 7.118 -2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.478 9.219 -0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.399 9.400 -1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.569 9.742 -1.487 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.473 9.807 -2.987 1.00 0.00 H new ATOM 338 N GLY A 28 2.911 7.028 -0.035 1.00 0.00 N ATOM 339 CA GLY A 28 2.084 6.585 1.075 1.00 0.00 C ATOM 340 C GLY A 28 1.130 5.472 0.637 1.00 0.00 C ATOM 341 O GLY A 28 0.829 4.566 1.413 1.00 0.00 O ATOM 0 H GLY A 28 2.883 8.032 -0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.718 6.227 1.886 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.512 7.427 1.466 1.00 0.00 H new ATOM 345 N VAL A 29 0.680 5.577 -0.605 1.00 0.00 N ATOM 346 CA VAL A 29 -0.234 4.590 -1.156 1.00 0.00 C ATOM 347 C VAL A 29 0.543 3.319 -1.503 1.00 0.00 C ATOM 348 O VAL A 29 0.175 2.226 -1.076 1.00 0.00 O ATOM 349 CB VAL A 29 -0.982 5.181 -2.353 1.00 0.00 C ATOM 350 CG1 VAL A 29 -2.087 4.236 -2.829 1.00 0.00 C ATOM 351 CG2 VAL A 29 -1.547 6.562 -2.019 1.00 0.00 C ATOM 0 H VAL A 29 0.931 6.330 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.990 4.317 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.269 5.300 -3.169 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.603 4.679 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.648 3.284 -3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.798 4.071 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.074 6.959 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.239 6.479 -1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.731 7.234 -1.751 1.00 0.00 H new ATOM 361 N LEU A 30 1.604 3.505 -2.275 1.00 0.00 N ATOM 362 CA LEU A 30 2.436 2.386 -2.685 1.00 0.00 C ATOM 363 C LEU A 30 2.763 1.525 -1.464 1.00 0.00 C ATOM 364 O LEU A 30 2.858 0.303 -1.569 1.00 0.00 O ATOM 365 CB LEU A 30 3.672 2.885 -3.436 1.00 0.00 C ATOM 366 CG LEU A 30 3.406 3.794 -4.638 1.00 0.00 C ATOM 367 CD1 LEU A 30 4.507 4.846 -4.784 1.00 0.00 C ATOM 368 CD2 LEU A 30 3.224 2.973 -5.916 1.00 0.00 C ATOM 0 H LEU A 30 1.906 4.413 -2.627 1.00 0.00 H new ATOM 0 HA LEU A 30 1.900 1.750 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.307 3.423 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.238 2.019 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 30 2.472 4.328 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.294 5.479 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.546 5.460 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.467 4.350 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.036 3.643 -6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.128 2.394 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.378 2.296 -5.796 1.00 0.00 H new ATOM 380 N LYS A 31 2.927 2.196 -0.333 1.00 0.00 N ATOM 381 CA LYS A 31 3.242 1.508 0.907 1.00 0.00 C ATOM 382 C LYS A 31 2.403 0.232 1.004 1.00 0.00 C ATOM 383 O LYS A 31 2.897 -0.808 1.436 1.00 0.00 O ATOM 384 CB LYS A 31 3.071 2.449 2.101 1.00 0.00 C ATOM 385 CG LYS A 31 4.359 2.534 2.922 1.00 0.00 C ATOM 386 CD LYS A 31 4.477 3.891 3.618 1.00 0.00 C ATOM 387 CE LYS A 31 5.779 3.987 4.416 1.00 0.00 C ATOM 388 NZ LYS A 31 6.048 5.390 4.804 1.00 0.00 N ATOM 0 H LYS A 31 2.848 3.209 -0.250 1.00 0.00 H new ATOM 0 HA LYS A 31 4.289 1.204 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.794 3.443 1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.256 2.096 2.733 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.374 1.737 3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.220 2.379 2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.442 4.689 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.627 4.037 4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.713 3.363 5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.607 3.603 3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.935 5.437 5.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.132 5.977 3.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.266 5.744 5.391 1.00 0.00 H new ATOM 402 N VAL A 32 1.149 0.354 0.595 1.00 0.00 N ATOM 403 CA VAL A 32 0.237 -0.776 0.631 1.00 0.00 C ATOM 404 C VAL A 32 0.540 -1.708 -0.545 1.00 0.00 C ATOM 405 O VAL A 32 0.618 -2.923 -0.373 1.00 0.00 O ATOM 406 CB VAL A 32 -1.211 -0.281 0.643 1.00 0.00 C ATOM 407 CG1 VAL A 32 -1.323 1.067 1.359 1.00 0.00 C ATOM 408 CG2 VAL A 32 -1.773 -0.196 -0.778 1.00 0.00 C ATOM 0 H VAL A 32 0.743 1.218 0.237 1.00 0.00 H new ATOM 0 HA VAL A 32 0.377 -1.350 1.547 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.809 -1.005 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.362 1.397 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.981 0.962 2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.706 1.804 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.803 0.158 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.172 0.497 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.745 -1.183 -1.240 1.00 0.00 H new ATOM 418 N GLU A 33 0.702 -1.102 -1.712 1.00 0.00 N ATOM 419 CA GLU A 33 0.995 -1.862 -2.915 1.00 0.00 C ATOM 420 C GLU A 33 2.250 -2.714 -2.712 1.00 0.00 C ATOM 421 O GLU A 33 2.359 -3.807 -3.267 1.00 0.00 O ATOM 422 CB GLU A 33 1.149 -0.938 -4.124 1.00 0.00 C ATOM 423 CG GLU A 33 -0.143 -0.162 -4.389 1.00 0.00 C ATOM 424 CD GLU A 33 -0.495 -0.177 -5.878 1.00 0.00 C ATOM 425 OE1 GLU A 33 -1.020 -1.219 -6.326 1.00 0.00 O ATOM 426 OE2 GLU A 33 -0.232 0.854 -6.534 1.00 0.00 O ATOM 0 H GLU A 33 0.636 -0.094 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 33 0.155 -2.528 -3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.968 -0.240 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.412 -1.525 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.959 -0.600 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.030 0.867 -4.049 1.00 0.00 H new ATOM 433 N ALA A 34 3.166 -2.182 -1.917 1.00 0.00 N ATOM 434 CA ALA A 34 4.408 -2.879 -1.634 1.00 0.00 C ATOM 435 C ALA A 34 4.099 -4.192 -0.911 1.00 0.00 C ATOM 436 O ALA A 34 4.660 -5.234 -1.243 1.00 0.00 O ATOM 437 CB ALA A 34 5.331 -1.969 -0.821 1.00 0.00 C ATOM 0 H ALA A 34 3.072 -1.275 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 34 4.927 -3.127 -2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.263 -2.492 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.544 -1.065 -1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.844 -1.701 0.116 1.00 0.00 H new ATOM 443 N ILE A 35 3.206 -4.097 0.063 1.00 0.00 N ATOM 444 CA ILE A 35 2.815 -5.264 0.836 1.00 0.00 C ATOM 445 C ILE A 35 1.926 -6.165 -0.024 1.00 0.00 C ATOM 446 O ILE A 35 2.151 -7.371 -0.103 1.00 0.00 O ATOM 447 CB ILE A 35 2.167 -4.840 2.156 1.00 0.00 C ATOM 448 CG1 ILE A 35 3.110 -3.949 2.968 1.00 0.00 C ATOM 449 CG2 ILE A 35 1.701 -6.059 2.954 1.00 0.00 C ATOM 450 CD1 ILE A 35 2.341 -2.818 3.653 1.00 0.00 C ATOM 0 H ILE A 35 2.742 -3.230 0.335 1.00 0.00 H new ATOM 0 HA ILE A 35 3.692 -5.850 1.112 1.00 0.00 H new ATOM 0 HB ILE A 35 1.281 -4.247 1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.627 -4.548 3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.874 -3.530 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.244 -5.730 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.970 -6.619 2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.556 -6.698 3.174 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.034 -2.200 4.223 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.845 -2.206 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.595 -3.241 4.325 1.00 0.00 H new ATOM 462 N LEU A 36 0.934 -5.544 -0.646 1.00 0.00 N ATOM 463 CA LEU A 36 0.010 -6.275 -1.496 1.00 0.00 C ATOM 464 C LEU A 36 0.803 -7.108 -2.505 1.00 0.00 C ATOM 465 O LEU A 36 0.387 -8.205 -2.873 1.00 0.00 O ATOM 466 CB LEU A 36 -0.994 -5.318 -2.142 1.00 0.00 C ATOM 467 CG LEU A 36 -2.223 -4.967 -1.301 1.00 0.00 C ATOM 468 CD1 LEU A 36 -3.109 -6.195 -1.085 1.00 0.00 C ATOM 469 CD2 LEU A 36 -1.813 -4.316 0.022 1.00 0.00 C ATOM 0 H LEU A 36 0.750 -4.543 -0.578 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.584 -6.971 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.474 -4.393 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.334 -5.758 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.816 -4.236 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.975 -5.918 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.444 -6.577 -2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.540 -6.967 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.705 -4.076 0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.187 -5.006 0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.255 -3.402 -0.180 1.00 0.00 H new ATOM 481 N GLU A 37 1.931 -6.554 -2.925 1.00 0.00 N ATOM 482 CA GLU A 37 2.786 -7.232 -3.885 1.00 0.00 C ATOM 483 C GLU A 37 3.251 -8.577 -3.324 1.00 0.00 C ATOM 484 O GLU A 37 3.403 -9.545 -4.067 1.00 0.00 O ATOM 485 CB GLU A 37 3.980 -6.356 -4.270 1.00 0.00 C ATOM 486 CG GLU A 37 4.098 -6.228 -5.790 1.00 0.00 C ATOM 487 CD GLU A 37 5.565 -6.205 -6.226 1.00 0.00 C ATOM 488 OE1 GLU A 37 6.312 -5.378 -5.659 1.00 0.00 O ATOM 489 OE2 GLU A 37 5.905 -7.013 -7.116 1.00 0.00 O ATOM 0 H GLU A 37 2.273 -5.643 -2.618 1.00 0.00 H new ATOM 0 HA GLU A 37 2.207 -7.418 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.868 -5.367 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.896 -6.786 -3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.585 -7.062 -6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.602 -5.316 -6.121 1.00 0.00 H new ATOM 496 N LYS A 38 3.464 -8.595 -2.016 1.00 0.00 N ATOM 497 CA LYS A 38 3.909 -9.806 -1.346 1.00 0.00 C ATOM 498 C LYS A 38 2.695 -10.679 -1.022 1.00 0.00 C ATOM 499 O LYS A 38 2.724 -11.891 -1.229 1.00 0.00 O ATOM 500 CB LYS A 38 4.762 -9.460 -0.125 1.00 0.00 C ATOM 501 CG LYS A 38 5.967 -8.604 -0.522 1.00 0.00 C ATOM 502 CD LYS A 38 6.190 -7.471 0.482 1.00 0.00 C ATOM 503 CE LYS A 38 7.551 -6.808 0.267 1.00 0.00 C ATOM 504 NZ LYS A 38 7.405 -5.572 -0.533 1.00 0.00 N ATOM 0 H LYS A 38 3.337 -7.790 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 38 4.556 -10.389 -2.002 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.156 -8.925 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.105 -10.377 0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.859 -9.228 -0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.810 -8.187 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.399 -6.728 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.129 -7.863 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.004 -6.573 1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.223 -7.500 -0.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.001 -5.636 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.411 -5.456 -0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.701 -4.753 0.036 1.00 0.00 H new ATOM 518 N VAL A 39 1.656 -10.029 -0.518 1.00 0.00 N ATOM 519 CA VAL A 39 0.435 -10.731 -0.162 1.00 0.00 C ATOM 520 C VAL A 39 0.085 -11.729 -1.268 1.00 0.00 C ATOM 521 O VAL A 39 -0.222 -12.887 -0.988 1.00 0.00 O ATOM 522 CB VAL A 39 -0.686 -9.725 0.111 1.00 0.00 C ATOM 523 CG1 VAL A 39 -2.024 -10.439 0.317 1.00 0.00 C ATOM 524 CG2 VAL A 39 -0.346 -8.838 1.310 1.00 0.00 C ATOM 0 H VAL A 39 1.635 -9.024 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 39 0.575 -11.300 0.757 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.781 -9.082 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.804 -9.702 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.275 -11.007 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.948 -11.117 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.159 -8.132 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.211 -9.459 2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.574 -8.290 1.108 1.00 0.00 H new ATOM 534 N GLN A 40 0.144 -11.245 -2.499 1.00 0.00 N ATOM 535 CA GLN A 40 -0.162 -12.081 -3.648 1.00 0.00 C ATOM 536 C GLN A 40 0.524 -13.442 -3.512 1.00 0.00 C ATOM 537 O GLN A 40 -0.105 -14.480 -3.710 1.00 0.00 O ATOM 538 CB GLN A 40 0.243 -11.390 -4.952 1.00 0.00 C ATOM 539 CG GLN A 40 -0.633 -10.165 -5.218 1.00 0.00 C ATOM 540 CD GLN A 40 -1.739 -10.489 -6.224 1.00 0.00 C ATOM 541 OE1 GLN A 40 -2.038 -11.637 -6.508 1.00 0.00 O ATOM 542 NE2 GLN A 40 -2.328 -9.417 -6.746 1.00 0.00 N ATOM 0 H GLN A 40 0.399 -10.284 -2.727 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.240 -12.241 -3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.289 -11.089 -4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.155 -12.091 -5.782 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.076 -9.821 -4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.018 -9.350 -5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.029 -8.483 -6.465 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.078 -9.529 -7.428 1.00 0.00 H new ATOM 551 N GLY A 41 1.805 -13.392 -3.175 1.00 0.00 N ATOM 552 CA GLY A 41 2.583 -14.608 -3.010 1.00 0.00 C ATOM 553 C GLY A 41 1.950 -15.526 -1.963 1.00 0.00 C ATOM 554 O GLY A 41 2.056 -16.748 -2.058 1.00 0.00 O ATOM 0 H GLY A 41 2.323 -12.529 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.653 -15.132 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.600 -14.355 -2.710 1.00 0.00 H new ATOM 558 N LEU A 42 1.306 -14.902 -0.987 1.00 0.00 N ATOM 559 CA LEU A 42 0.656 -15.648 0.077 1.00 0.00 C ATOM 560 C LEU A 42 -0.685 -16.185 -0.428 1.00 0.00 C ATOM 561 O LEU A 42 -1.137 -17.243 0.007 1.00 0.00 O ATOM 562 CB LEU A 42 0.539 -14.790 1.338 1.00 0.00 C ATOM 563 CG LEU A 42 1.858 -14.315 1.951 1.00 0.00 C ATOM 564 CD1 LEU A 42 1.609 -13.314 3.081 1.00 0.00 C ATOM 565 CD2 LEU A 42 2.706 -15.502 2.414 1.00 0.00 C ATOM 0 H LEU A 42 1.221 -13.888 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 42 1.259 -16.511 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.066 -13.914 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.005 -15.359 2.092 1.00 0.00 H new ATOM 0 HG LEU A 42 2.425 -13.795 1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.563 -12.993 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.074 -12.449 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.012 -13.787 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.638 -15.137 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.157 -16.071 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.928 -16.145 1.562 1.00 0.00 H new ATOM 577 N GLU A 43 -1.283 -15.431 -1.338 1.00 0.00 N ATOM 578 CA GLU A 43 -2.563 -15.819 -1.907 1.00 0.00 C ATOM 579 C GLU A 43 -2.416 -17.108 -2.717 1.00 0.00 C ATOM 580 O GLU A 43 -3.311 -17.952 -2.715 1.00 0.00 O ATOM 581 CB GLU A 43 -3.144 -14.694 -2.767 1.00 0.00 C ATOM 582 CG GLU A 43 -4.581 -14.373 -2.352 1.00 0.00 C ATOM 583 CD GLU A 43 -5.584 -15.003 -3.320 1.00 0.00 C ATOM 584 OE1 GLU A 43 -5.222 -16.040 -3.918 1.00 0.00 O ATOM 585 OE2 GLU A 43 -6.691 -14.435 -3.440 1.00 0.00 O ATOM 0 H GLU A 43 -0.905 -14.554 -1.696 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.260 -16.005 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.526 -13.801 -2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.121 -14.985 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.763 -14.742 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.724 -13.293 -2.327 1.00 0.00 H new ATOM 592 N GLN A 44 -1.280 -17.220 -3.389 1.00 0.00 N ATOM 593 CA GLN A 44 -1.004 -18.393 -4.202 1.00 0.00 C ATOM 594 C GLN A 44 -0.996 -19.652 -3.332 1.00 0.00 C ATOM 595 O GLN A 44 -1.505 -20.695 -3.739 1.00 0.00 O ATOM 596 CB GLN A 44 0.319 -18.239 -4.955 1.00 0.00 C ATOM 597 CG GLN A 44 0.119 -17.473 -6.264 1.00 0.00 C ATOM 598 CD GLN A 44 0.157 -18.421 -7.465 1.00 0.00 C ATOM 599 OE1 GLN A 44 -0.810 -19.088 -7.793 1.00 0.00 O ATOM 600 NE2 GLN A 44 1.325 -18.442 -8.100 1.00 0.00 N ATOM 0 H GLN A 44 -0.540 -16.518 -3.387 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.797 -18.492 -4.943 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.039 -17.713 -4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.738 -19.223 -5.166 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.836 -16.948 -6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.896 -16.716 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 44 2.094 -17.858 -7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.452 -19.042 -8.915 1.00 0.00 H new ATOM 609 N ALA A 45 -0.414 -19.513 -2.150 1.00 0.00 N ATOM 610 CA ALA A 45 -0.334 -20.626 -1.220 1.00 0.00 C ATOM 611 C ALA A 45 -1.748 -21.082 -0.854 1.00 0.00 C ATOM 612 O ALA A 45 -2.058 -22.270 -0.924 1.00 0.00 O ATOM 613 CB ALA A 45 0.480 -20.208 0.007 1.00 0.00 C ATOM 0 H ALA A 45 0.007 -18.646 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 45 0.177 -21.473 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.540 -21.043 0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.485 -19.921 -0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.005 -19.362 0.494 1.00 0.00 H new ATOM 619 N VAL A 46 -2.567 -20.113 -0.471 1.00 0.00 N ATOM 620 CA VAL A 46 -3.941 -20.401 -0.094 1.00 0.00 C ATOM 621 C VAL A 46 -4.662 -21.056 -1.274 1.00 0.00 C ATOM 622 O VAL A 46 -5.122 -22.192 -1.171 1.00 0.00 O ATOM 623 CB VAL A 46 -4.628 -19.123 0.392 1.00 0.00 C ATOM 624 CG1 VAL A 46 -6.149 -19.291 0.409 1.00 0.00 C ATOM 625 CG2 VAL A 46 -4.106 -18.710 1.770 1.00 0.00 C ATOM 0 H VAL A 46 -2.306 -19.129 -0.414 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.970 -21.106 0.737 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.387 -18.325 -0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.613 -18.369 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.501 -19.516 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.417 -20.108 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.610 -17.799 2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.303 -19.507 2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.033 -18.530 1.713 1.00 0.00 H new ATOM 635 N ASP A 47 -4.738 -20.311 -2.367 1.00 0.00 N ATOM 636 CA ASP A 47 -5.396 -20.806 -3.565 1.00 0.00 C ATOM 637 C ASP A 47 -4.834 -22.184 -3.918 1.00 0.00 C ATOM 638 O ASP A 47 -5.508 -22.987 -4.562 1.00 0.00 O ATOM 639 CB ASP A 47 -5.148 -19.875 -4.753 1.00 0.00 C ATOM 640 CG ASP A 47 -6.392 -19.527 -5.573 1.00 0.00 C ATOM 641 OD1 ASP A 47 -7.445 -20.139 -5.293 1.00 0.00 O ATOM 642 OD2 ASP A 47 -6.261 -18.657 -6.460 1.00 0.00 O ATOM 0 H ASP A 47 -4.355 -19.369 -2.448 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.466 -20.859 -3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.704 -18.950 -4.384 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.415 -20.340 -5.412 1.00 0.00 H new ATOM 647 N SER A 48 -3.606 -22.417 -3.480 1.00 0.00 N ATOM 648 CA SER A 48 -2.946 -23.685 -3.741 1.00 0.00 C ATOM 649 C SER A 48 -2.635 -24.395 -2.422 1.00 0.00 C ATOM 650 O SER A 48 -1.603 -25.053 -2.295 1.00 0.00 O ATOM 651 CB SER A 48 -1.663 -23.481 -4.550 1.00 0.00 C ATOM 652 OG SER A 48 -0.618 -22.920 -3.760 1.00 0.00 O ATOM 0 H SER A 48 -3.050 -21.749 -2.946 1.00 0.00 H new ATOM 0 HA SER A 48 -3.620 -24.307 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.336 -24.437 -4.958 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.869 -22.827 -5.397 1.00 0.00 H new ATOM 0 HG SER A 48 -0.892 -22.037 -3.435 1.00 0.00 H new ATOM 658 N PHE A 49 -3.546 -24.238 -1.474 1.00 0.00 N ATOM 659 CA PHE A 49 -3.382 -24.857 -0.169 1.00 0.00 C ATOM 660 C PHE A 49 -4.216 -26.135 -0.059 1.00 0.00 C ATOM 661 O PHE A 49 -5.097 -26.378 -0.882 1.00 0.00 O ATOM 662 CB PHE A 49 -3.878 -23.848 0.869 1.00 0.00 C ATOM 663 CG PHE A 49 -3.968 -24.410 2.290 1.00 0.00 C ATOM 664 CD1 PHE A 49 -2.844 -24.522 3.049 1.00 0.00 C ATOM 665 CD2 PHE A 49 -5.170 -24.798 2.793 1.00 0.00 C ATOM 666 CE1 PHE A 49 -2.927 -25.044 4.367 1.00 0.00 C ATOM 667 CE2 PHE A 49 -5.253 -25.319 4.111 1.00 0.00 C ATOM 668 CZ PHE A 49 -4.130 -25.431 4.870 1.00 0.00 C ATOM 0 H PHE A 49 -4.400 -23.691 -1.583 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.337 -25.123 -0.012 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.210 -22.987 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.862 -23.487 0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.889 -24.214 2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.062 -24.710 2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.035 -25.134 4.970 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.208 -25.626 4.511 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.193 -25.827 5.873 1.00 0.00 H new ATOM 678 N GLU A 50 -3.908 -26.918 0.964 1.00 0.00 N ATOM 679 CA GLU A 50 -4.618 -28.165 1.192 1.00 0.00 C ATOM 680 C GLU A 50 -4.364 -28.668 2.615 1.00 0.00 C ATOM 681 O GLU A 50 -3.221 -28.921 2.993 1.00 0.00 O ATOM 682 CB GLU A 50 -4.218 -29.220 0.158 1.00 0.00 C ATOM 683 CG GLU A 50 -2.727 -29.546 0.255 1.00 0.00 C ATOM 684 CD GLU A 50 -2.088 -29.609 -1.134 1.00 0.00 C ATOM 685 OE1 GLU A 50 -2.477 -28.771 -1.976 1.00 0.00 O ATOM 686 OE2 GLU A 50 -1.225 -30.494 -1.322 1.00 0.00 O ATOM 0 H GLU A 50 -3.176 -26.713 1.644 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.686 -27.979 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.803 -30.127 0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.450 -28.859 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.224 -28.789 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.592 -30.500 0.765 1.00 0.00 H new ATOM 693 N GLY A 51 -5.448 -28.798 3.365 1.00 0.00 N ATOM 694 CA GLY A 51 -5.358 -29.266 4.737 1.00 0.00 C ATOM 695 C GLY A 51 -6.543 -28.768 5.566 1.00 0.00 C ATOM 696 O GLY A 51 -7.692 -28.879 5.141 1.00 0.00 O ATOM 0 H GLY A 51 -6.394 -28.587 3.048 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.332 -30.356 4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.426 -28.918 5.183 1.00 0.00 H new ATOM 700 N LYS A 52 -6.223 -28.230 6.734 1.00 0.00 N ATOM 701 CA LYS A 52 -7.248 -27.715 7.626 1.00 0.00 C ATOM 702 C LYS A 52 -6.702 -26.496 8.372 1.00 0.00 C ATOM 703 O LYS A 52 -5.634 -25.985 8.037 1.00 0.00 O ATOM 704 CB LYS A 52 -7.761 -28.822 8.549 1.00 0.00 C ATOM 705 CG LYS A 52 -6.671 -29.862 8.817 1.00 0.00 C ATOM 706 CD LYS A 52 -7.168 -31.273 8.496 1.00 0.00 C ATOM 707 CE LYS A 52 -5.995 -32.230 8.277 1.00 0.00 C ATOM 708 NZ LYS A 52 -5.295 -32.493 9.554 1.00 0.00 N ATOM 0 H LYS A 52 -5.269 -28.140 7.083 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.115 -27.380 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.095 -28.389 9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.627 -29.306 8.096 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.792 -29.636 8.213 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.363 -29.810 9.861 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.792 -31.637 9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.793 -31.248 7.604 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.357 -33.167 7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.299 -31.802 7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.925 -33.465 9.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.507 -31.823 9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.960 -32.376 10.345 1.00 0.00 H new ATOM 722 N LYS A 53 -7.459 -26.065 9.370 1.00 0.00 N ATOM 723 CA LYS A 53 -7.065 -24.915 10.167 1.00 0.00 C ATOM 724 C LYS A 53 -6.091 -25.366 11.257 1.00 0.00 C ATOM 725 O LYS A 53 -5.438 -24.539 11.892 1.00 0.00 O ATOM 726 CB LYS A 53 -8.298 -24.189 10.706 1.00 0.00 C ATOM 727 CG LYS A 53 -9.118 -23.580 9.567 1.00 0.00 C ATOM 728 CD LYS A 53 -10.321 -22.806 10.110 1.00 0.00 C ATOM 729 CE LYS A 53 -11.493 -22.854 9.127 1.00 0.00 C ATOM 730 NZ LYS A 53 -12.611 -23.641 9.691 1.00 0.00 N ATOM 0 H LYS A 53 -8.344 -26.491 9.645 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.539 -24.186 9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.916 -24.886 11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.989 -23.404 11.396 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.489 -22.914 8.977 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.461 -24.370 8.898 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.627 -23.228 11.067 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.038 -21.770 10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.830 -21.842 8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.168 -23.297 8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.938 -24.333 8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.288 -24.140 10.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.394 -23.003 9.939 1.00 0.00 H new ATOM 744 N THR A 54 -6.023 -26.677 11.441 1.00 0.00 N ATOM 745 CA THR A 54 -5.140 -27.247 12.443 1.00 0.00 C ATOM 746 C THR A 54 -3.772 -27.559 11.833 1.00 0.00 C ATOM 747 O THR A 54 -2.753 -27.494 12.519 1.00 0.00 O ATOM 748 CB THR A 54 -5.832 -28.474 13.041 1.00 0.00 C ATOM 749 OG1 THR A 54 -5.323 -29.565 12.280 1.00 0.00 O ATOM 750 CG2 THR A 54 -7.336 -28.493 12.759 1.00 0.00 C ATOM 0 H THR A 54 -6.566 -27.360 10.912 1.00 0.00 H new ATOM 0 HA THR A 54 -4.948 -26.539 13.249 1.00 0.00 H new ATOM 0 HB THR A 54 -5.664 -28.497 14.118 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.718 -30.402 12.603 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.779 -29.384 13.205 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.798 -27.604 13.189 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.504 -28.504 11.682 1.00 0.00 H new ATOM 758 N ASP A 55 -3.793 -27.892 10.551 1.00 0.00 N ATOM 759 CA ASP A 55 -2.568 -28.214 9.841 1.00 0.00 C ATOM 760 C ASP A 55 -1.587 -27.047 9.969 1.00 0.00 C ATOM 761 O ASP A 55 -1.999 -25.890 10.049 1.00 0.00 O ATOM 762 CB ASP A 55 -2.837 -28.443 8.352 1.00 0.00 C ATOM 763 CG ASP A 55 -3.194 -29.882 7.974 1.00 0.00 C ATOM 764 OD1 ASP A 55 -3.517 -30.650 8.905 1.00 0.00 O ATOM 765 OD2 ASP A 55 -3.136 -30.180 6.761 1.00 0.00 O ATOM 0 H ASP A 55 -4.640 -27.946 9.985 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.156 -29.124 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.651 -27.789 8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.954 -28.144 7.788 1.00 0.00 H new ATOM 770 N LYS A 56 -0.307 -27.390 9.986 1.00 0.00 N ATOM 771 CA LYS A 56 0.736 -26.385 10.103 1.00 0.00 C ATOM 772 C LYS A 56 0.710 -25.483 8.868 1.00 0.00 C ATOM 773 O LYS A 56 0.774 -24.260 8.986 1.00 0.00 O ATOM 774 CB LYS A 56 2.092 -27.046 10.354 1.00 0.00 C ATOM 775 CG LYS A 56 3.087 -26.049 10.952 1.00 0.00 C ATOM 776 CD LYS A 56 3.494 -24.996 9.920 1.00 0.00 C ATOM 777 CE LYS A 56 4.890 -24.445 10.221 1.00 0.00 C ATOM 778 NZ LYS A 56 4.817 -23.382 11.248 1.00 0.00 N ATOM 0 H LYS A 56 0.031 -28.350 9.921 1.00 0.00 H new ATOM 0 HA LYS A 56 0.554 -25.747 10.968 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.968 -27.892 11.030 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.486 -27.441 9.418 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.642 -25.561 11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.972 -26.579 11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.479 -25.435 8.922 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.770 -24.182 9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.538 -25.250 10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.335 -24.048 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.772 -23.019 11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.215 -22.607 10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.412 -23.772 12.123 1.00 0.00 H new ATOM 792 N LYS A 57 0.617 -26.121 7.710 1.00 0.00 N ATOM 793 CA LYS A 57 0.583 -25.392 6.454 1.00 0.00 C ATOM 794 C LYS A 57 -0.333 -24.175 6.601 1.00 0.00 C ATOM 795 O LYS A 57 -0.105 -23.142 5.972 1.00 0.00 O ATOM 796 CB LYS A 57 0.189 -26.322 5.305 1.00 0.00 C ATOM 797 CG LYS A 57 0.266 -25.596 3.960 1.00 0.00 C ATOM 798 CD LYS A 57 -0.242 -26.487 2.826 1.00 0.00 C ATOM 799 CE LYS A 57 0.898 -26.880 1.884 1.00 0.00 C ATOM 800 NZ LYS A 57 0.400 -27.767 0.809 1.00 0.00 N ATOM 0 H LYS A 57 0.564 -27.135 7.616 1.00 0.00 H new ATOM 0 HA LYS A 57 1.576 -25.017 6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.849 -27.190 5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.823 -26.694 5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.326 -24.682 4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.296 -25.300 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.701 -27.384 3.241 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.017 -25.963 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.342 -25.985 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.684 -27.385 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.186 -28.024 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.003 -28.629 1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.334 -27.272 0.263 1.00 0.00 H new ATOM 814 N TYR A 58 -1.350 -24.336 7.434 1.00 0.00 N ATOM 815 CA TYR A 58 -2.301 -23.264 7.672 1.00 0.00 C ATOM 816 C TYR A 58 -1.746 -22.251 8.675 1.00 0.00 C ATOM 817 O TYR A 58 -1.913 -21.045 8.502 1.00 0.00 O ATOM 818 CB TYR A 58 -3.544 -23.927 8.269 1.00 0.00 C ATOM 819 CG TYR A 58 -4.687 -22.953 8.566 1.00 0.00 C ATOM 820 CD1 TYR A 58 -5.514 -22.529 7.546 1.00 0.00 C ATOM 821 CD2 TYR A 58 -4.890 -22.499 9.853 1.00 0.00 C ATOM 822 CE1 TYR A 58 -6.589 -21.613 7.825 1.00 0.00 C ATOM 823 CE2 TYR A 58 -5.965 -21.583 10.132 1.00 0.00 C ATOM 824 CZ TYR A 58 -6.762 -21.185 9.105 1.00 0.00 C ATOM 825 OH TYR A 58 -7.777 -20.320 9.369 1.00 0.00 O ATOM 0 H TYR A 58 -1.536 -25.194 7.953 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.516 -22.730 6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.902 -24.692 7.580 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.264 -24.435 9.192 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.355 -22.884 6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.242 -22.831 10.651 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -7.244 -21.273 7.036 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.135 -21.220 11.135 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.781 -20.102 10.324 1.00 0.00 H new ATOM 835 N LEU A 59 -1.097 -22.779 9.703 1.00 0.00 N ATOM 836 CA LEU A 59 -0.517 -21.936 10.734 1.00 0.00 C ATOM 837 C LEU A 59 0.579 -21.064 10.117 1.00 0.00 C ATOM 838 O LEU A 59 0.571 -19.844 10.280 1.00 0.00 O ATOM 839 CB LEU A 59 -0.036 -22.785 11.912 1.00 0.00 C ATOM 840 CG LEU A 59 -1.125 -23.311 12.849 1.00 0.00 C ATOM 841 CD1 LEU A 59 -1.941 -24.416 12.175 1.00 0.00 C ATOM 842 CD2 LEU A 59 -0.529 -23.771 14.180 1.00 0.00 C ATOM 0 H LEU A 59 -0.960 -23.780 9.843 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.270 -21.262 11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.519 -23.637 11.518 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.665 -22.192 12.499 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.810 -22.492 13.069 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.708 -24.773 12.862 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.414 -24.022 11.276 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.283 -25.242 11.906 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.325 -24.140 14.827 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.191 -24.569 14.000 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.028 -22.932 14.664 1.00 0.00 H new ATOM 854 N MET A 60 1.494 -21.722 9.422 1.00 0.00 N ATOM 855 CA MET A 60 2.593 -21.022 8.779 1.00 0.00 C ATOM 856 C MET A 60 2.074 -19.959 7.810 1.00 0.00 C ATOM 857 O MET A 60 2.723 -18.935 7.600 1.00 0.00 O ATOM 858 CB MET A 60 3.463 -22.026 8.019 1.00 0.00 C ATOM 859 CG MET A 60 2.623 -22.847 7.039 1.00 0.00 C ATOM 860 SD MET A 60 3.604 -23.286 5.613 1.00 0.00 S ATOM 861 CE MET A 60 3.122 -21.983 4.493 1.00 0.00 C ATOM 0 H MET A 60 1.497 -22.733 9.290 1.00 0.00 H new ATOM 0 HA MET A 60 3.184 -20.526 9.549 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.247 -21.497 7.477 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.958 -22.692 8.726 1.00 0.00 H new ATOM 0 HG2 MET A 60 2.255 -23.748 7.529 1.00 0.00 H new ATOM 0 HG3 MET A 60 1.749 -22.274 6.727 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.995 -21.639 3.938 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.374 -22.361 3.796 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.702 -21.152 5.060 1.00 0.00 H new ATOM 871 N ILE A 61 0.909 -20.238 7.244 1.00 0.00 N ATOM 872 CA ILE A 61 0.296 -19.318 6.301 1.00 0.00 C ATOM 873 C ILE A 61 -0.355 -18.166 7.069 1.00 0.00 C ATOM 874 O ILE A 61 0.035 -17.011 6.911 1.00 0.00 O ATOM 875 CB ILE A 61 -0.669 -20.063 5.376 1.00 0.00 C ATOM 876 CG1 ILE A 61 0.094 -20.871 4.325 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.673 -19.099 4.740 1.00 0.00 C ATOM 878 CD1 ILE A 61 -0.866 -21.689 3.458 1.00 0.00 C ATOM 0 H ILE A 61 0.373 -21.088 7.420 1.00 0.00 H new ATOM 0 HA ILE A 61 1.052 -18.880 5.649 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.239 -20.772 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.675 -20.198 3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.802 -21.537 4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.347 -19.654 4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.250 -18.606 5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.138 -18.350 4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.298 -22.254 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.428 -22.378 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.557 -21.018 2.948 1.00 0.00 H new ATOM 890 N GLU A 62 -1.337 -18.522 7.885 1.00 0.00 N ATOM 891 CA GLU A 62 -2.046 -17.532 8.678 1.00 0.00 C ATOM 892 C GLU A 62 -1.082 -16.443 9.154 1.00 0.00 C ATOM 893 O GLU A 62 -1.350 -15.255 8.984 1.00 0.00 O ATOM 894 CB GLU A 62 -2.760 -18.187 9.862 1.00 0.00 C ATOM 895 CG GLU A 62 -3.835 -17.261 10.435 1.00 0.00 C ATOM 896 CD GLU A 62 -3.240 -15.906 10.824 1.00 0.00 C ATOM 897 OE1 GLU A 62 -2.520 -15.874 11.845 1.00 0.00 O ATOM 898 OE2 GLU A 62 -3.519 -14.933 10.091 1.00 0.00 O ATOM 0 H GLU A 62 -1.658 -19.482 8.014 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.806 -17.068 8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.215 -19.125 9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.035 -18.432 10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.626 -17.117 9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.293 -17.726 11.308 1.00 0.00 H new ATOM 905 N GLU A 63 0.019 -16.888 9.741 1.00 0.00 N ATOM 906 CA GLU A 63 1.025 -15.966 10.242 1.00 0.00 C ATOM 907 C GLU A 63 1.503 -15.041 9.121 1.00 0.00 C ATOM 908 O GLU A 63 1.599 -13.830 9.310 1.00 0.00 O ATOM 909 CB GLU A 63 2.199 -16.722 10.867 1.00 0.00 C ATOM 910 CG GLU A 63 3.376 -16.809 9.894 1.00 0.00 C ATOM 911 CD GLU A 63 4.558 -17.545 10.528 1.00 0.00 C ATOM 912 OE1 GLU A 63 5.330 -16.869 11.241 1.00 0.00 O ATOM 913 OE2 GLU A 63 4.663 -18.767 10.285 1.00 0.00 O ATOM 0 H GLU A 63 0.237 -17.875 9.881 1.00 0.00 H new ATOM 0 HA GLU A 63 0.572 -15.355 11.023 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.515 -16.219 11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.881 -17.726 11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.065 -17.327 8.987 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.684 -15.806 9.599 1.00 0.00 H new ATOM 920 N TYR A 64 1.790 -15.648 7.979 1.00 0.00 N ATOM 921 CA TYR A 64 2.256 -14.894 6.827 1.00 0.00 C ATOM 922 C TYR A 64 1.203 -13.882 6.372 1.00 0.00 C ATOM 923 O TYR A 64 1.521 -12.720 6.121 1.00 0.00 O ATOM 924 CB TYR A 64 2.476 -15.919 5.713 1.00 0.00 C ATOM 925 CG TYR A 64 3.484 -17.014 6.065 1.00 0.00 C ATOM 926 CD1 TYR A 64 4.370 -16.828 7.106 1.00 0.00 C ATOM 927 CD2 TYR A 64 3.508 -18.189 5.341 1.00 0.00 C ATOM 928 CE1 TYR A 64 5.320 -17.859 7.438 1.00 0.00 C ATOM 929 CE2 TYR A 64 4.457 -19.220 5.672 1.00 0.00 C ATOM 930 CZ TYR A 64 5.316 -19.004 6.704 1.00 0.00 C ATOM 931 OH TYR A 64 6.213 -19.978 7.017 1.00 0.00 O ATOM 0 H TYR A 64 1.709 -16.653 7.826 1.00 0.00 H new ATOM 0 HA TYR A 64 3.163 -14.341 7.071 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.521 -16.384 5.467 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.817 -15.400 4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.351 -15.909 7.673 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.815 -18.335 4.526 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.019 -17.726 8.251 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.486 -20.144 5.113 1.00 0.00 H new ATOM 0 HH TYR A 64 6.095 -20.739 6.411 1.00 0.00 H new ATOM 941 N LEU A 65 -0.030 -14.359 6.280 1.00 0.00 N ATOM 942 CA LEU A 65 -1.131 -13.510 5.859 1.00 0.00 C ATOM 943 C LEU A 65 -1.214 -12.294 6.784 1.00 0.00 C ATOM 944 O LEU A 65 -0.877 -11.181 6.384 1.00 0.00 O ATOM 945 CB LEU A 65 -2.430 -14.316 5.784 1.00 0.00 C ATOM 946 CG LEU A 65 -2.588 -15.220 4.561 1.00 0.00 C ATOM 947 CD1 LEU A 65 -1.285 -15.961 4.254 1.00 0.00 C ATOM 948 CD2 LEU A 65 -3.766 -16.181 4.738 1.00 0.00 C ATOM 0 H LEU A 65 -0.290 -15.323 6.490 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.958 -13.133 4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.504 -14.933 6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.268 -13.620 5.807 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.811 -14.592 3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.425 -16.597 3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.494 -15.238 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.006 -16.577 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.856 -16.813 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.597 -16.806 5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.685 -15.610 4.871 1.00 0.00 H new ATOM 960 N THR A 66 -1.665 -12.548 8.004 1.00 0.00 N ATOM 961 CA THR A 66 -1.796 -11.488 8.989 1.00 0.00 C ATOM 962 C THR A 66 -0.556 -10.593 8.978 1.00 0.00 C ATOM 963 O THR A 66 -0.669 -9.369 9.014 1.00 0.00 O ATOM 964 CB THR A 66 -2.065 -12.137 10.348 1.00 0.00 C ATOM 965 OG1 THR A 66 -3.447 -12.482 10.301 1.00 0.00 O ATOM 966 CG2 THR A 66 -1.970 -11.138 11.503 1.00 0.00 C ATOM 0 H THR A 66 -1.944 -13.472 8.332 1.00 0.00 H new ATOM 0 HA THR A 66 -2.634 -10.831 8.754 1.00 0.00 H new ATOM 0 HB THR A 66 -1.355 -12.948 10.510 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.552 -13.438 10.487 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.169 -11.650 12.444 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.969 -10.707 11.529 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.703 -10.345 11.359 1.00 0.00 H new ATOM 974 N LYS A 67 0.600 -11.238 8.928 1.00 0.00 N ATOM 975 CA LYS A 67 1.861 -10.516 8.912 1.00 0.00 C ATOM 976 C LYS A 67 1.718 -9.269 8.036 1.00 0.00 C ATOM 977 O LYS A 67 2.116 -8.176 8.436 1.00 0.00 O ATOM 978 CB LYS A 67 3.002 -11.440 8.484 1.00 0.00 C ATOM 979 CG LYS A 67 3.835 -11.878 9.691 1.00 0.00 C ATOM 980 CD LYS A 67 4.689 -13.101 9.353 1.00 0.00 C ATOM 981 CE LYS A 67 5.529 -13.533 10.557 1.00 0.00 C ATOM 982 NZ LYS A 67 6.923 -13.809 10.144 1.00 0.00 N ATOM 0 H LYS A 67 0.690 -12.254 8.898 1.00 0.00 H new ATOM 0 HA LYS A 67 2.117 -10.175 9.915 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.595 -12.317 7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.640 -10.927 7.764 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.478 -11.058 10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.176 -12.110 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.045 -13.923 9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.343 -12.871 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.516 -12.751 11.316 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.095 -14.424 11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.479 -14.101 10.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.931 -14.571 9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.340 -12.950 9.733 1.00 0.00 H new ATOM 996 N GLU A 68 1.148 -9.475 6.857 1.00 0.00 N ATOM 997 CA GLU A 68 0.948 -8.382 5.922 1.00 0.00 C ATOM 998 C GLU A 68 0.068 -7.299 6.551 1.00 0.00 C ATOM 999 O GLU A 68 0.391 -6.115 6.483 1.00 0.00 O ATOM 1000 CB GLU A 68 0.343 -8.886 4.610 1.00 0.00 C ATOM 1001 CG GLU A 68 1.173 -10.032 4.029 1.00 0.00 C ATOM 1002 CD GLU A 68 2.650 -9.645 3.930 1.00 0.00 C ATOM 1003 OE1 GLU A 68 3.339 -9.764 4.966 1.00 0.00 O ATOM 1004 OE2 GLU A 68 3.057 -9.237 2.820 1.00 0.00 O ATOM 0 H GLU A 68 0.819 -10.383 6.529 1.00 0.00 H new ATOM 0 HA GLU A 68 1.920 -7.945 5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.679 -9.223 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.292 -8.068 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.067 -10.917 4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.795 -10.295 3.041 1.00 0.00 H new ATOM 1011 N LEU A 69 -1.027 -7.746 7.149 1.00 0.00 N ATOM 1012 CA LEU A 69 -1.955 -6.830 7.790 1.00 0.00 C ATOM 1013 C LEU A 69 -1.172 -5.832 8.645 1.00 0.00 C ATOM 1014 O LEU A 69 -1.274 -4.623 8.444 1.00 0.00 O ATOM 1015 CB LEU A 69 -3.020 -7.605 8.569 1.00 0.00 C ATOM 1016 CG LEU A 69 -4.430 -7.591 7.973 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.700 -8.868 7.174 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.482 -7.361 9.060 1.00 0.00 C ATOM 0 H LEU A 69 -1.292 -8.730 7.203 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.497 -6.252 7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.695 -8.642 8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.070 -7.199 9.579 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.499 -6.755 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.708 -8.833 6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.978 -8.948 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.606 -9.734 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.475 -7.355 8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.423 -8.160 9.799 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.299 -6.403 9.547 1.00 0.00 H new ATOM 1030 N LEU A 70 -0.409 -6.375 9.582 1.00 0.00 N ATOM 1031 CA LEU A 70 0.391 -5.548 10.469 1.00 0.00 C ATOM 1032 C LEU A 70 1.176 -4.529 9.639 1.00 0.00 C ATOM 1033 O LEU A 70 1.278 -3.363 10.016 1.00 0.00 O ATOM 1034 CB LEU A 70 1.272 -6.419 11.365 1.00 0.00 C ATOM 1035 CG LEU A 70 0.538 -7.272 12.402 1.00 0.00 C ATOM 1036 CD1 LEU A 70 1.242 -8.615 12.605 1.00 0.00 C ATOM 1037 CD2 LEU A 70 0.367 -6.510 13.717 1.00 0.00 C ATOM 0 H LEU A 70 -0.328 -7.378 9.746 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.251 -4.983 11.145 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.860 -7.081 10.729 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.976 -5.772 11.888 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.461 -7.486 12.022 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.700 -9.201 13.347 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.268 -9.159 11.661 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.261 -8.443 12.952 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.158 -7.139 14.436 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.347 -6.244 14.114 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.210 -5.603 13.539 1.00 0.00 H new ATOM 1049 N ALA A 71 1.709 -5.007 8.524 1.00 0.00 N ATOM 1050 CA ALA A 71 2.481 -4.152 7.638 1.00 0.00 C ATOM 1051 C ALA A 71 1.549 -3.135 6.978 1.00 0.00 C ATOM 1052 O ALA A 71 1.962 -2.018 6.670 1.00 0.00 O ATOM 1053 CB ALA A 71 3.222 -5.015 6.615 1.00 0.00 C ATOM 0 H ALA A 71 1.622 -5.975 8.214 1.00 0.00 H new ATOM 0 HA ALA A 71 3.231 -3.595 8.199 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.801 -4.374 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.893 -5.700 7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.501 -5.587 6.031 1.00 0.00 H new ATOM 1059 N LEU A 72 0.309 -3.558 6.780 1.00 0.00 N ATOM 1060 CA LEU A 72 -0.685 -2.697 6.161 1.00 0.00 C ATOM 1061 C LEU A 72 -1.098 -1.608 7.153 1.00 0.00 C ATOM 1062 O LEU A 72 -1.523 -0.526 6.750 1.00 0.00 O ATOM 1063 CB LEU A 72 -1.859 -3.527 5.635 1.00 0.00 C ATOM 1064 CG LEU A 72 -1.636 -4.228 4.294 1.00 0.00 C ATOM 1065 CD1 LEU A 72 -2.552 -5.445 4.153 1.00 0.00 C ATOM 1066 CD2 LEU A 72 -1.799 -3.250 3.129 1.00 0.00 C ATOM 0 H LEU A 72 -0.030 -4.485 7.037 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.265 -2.193 5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.107 -4.282 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.727 -2.874 5.541 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.609 -4.592 4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.373 -5.925 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.344 -6.152 4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.593 -5.126 4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -1.635 -3.775 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.806 -2.834 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.072 -2.444 3.226 1.00 0.00 H new ATOM 1078 N ASP A 73 -0.959 -1.931 8.430 1.00 0.00 N ATOM 1079 CA ASP A 73 -1.312 -0.993 9.482 1.00 0.00 C ATOM 1080 C ASP A 73 -0.069 -0.201 9.892 1.00 0.00 C ATOM 1081 O ASP A 73 -0.173 0.950 10.312 1.00 0.00 O ATOM 1082 CB ASP A 73 -1.835 -1.725 10.720 1.00 0.00 C ATOM 1083 CG ASP A 73 -3.122 -1.151 11.316 1.00 0.00 C ATOM 1084 OD1 ASP A 73 -4.135 -1.149 10.583 1.00 0.00 O ATOM 1085 OD2 ASP A 73 -3.063 -0.727 12.490 1.00 0.00 O ATOM 0 H ASP A 73 -0.607 -2.829 8.760 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.089 -0.333 9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.007 -2.769 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.060 -1.711 11.486 1.00 0.00 H new ATOM 1090 N SER A 74 1.078 -0.849 9.754 1.00 0.00 N ATOM 1091 CA SER A 74 2.340 -0.219 10.104 1.00 0.00 C ATOM 1092 C SER A 74 2.472 1.125 9.384 1.00 0.00 C ATOM 1093 O SER A 74 2.857 2.123 9.991 1.00 0.00 O ATOM 1094 CB SER A 74 3.523 -1.125 9.758 1.00 0.00 C ATOM 1095 OG SER A 74 4.770 -0.533 10.110 1.00 0.00 O ATOM 0 H SER A 74 1.160 -1.804 9.405 1.00 0.00 H new ATOM 0 HA SER A 74 2.350 -0.050 11.181 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.414 -2.077 10.277 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.513 -1.342 8.690 1.00 0.00 H new ATOM 0 HG SER A 74 5.500 -1.143 9.875 1.00 0.00 H new ATOM 1101 N VAL A 75 2.145 1.106 8.101 1.00 0.00 N ATOM 1102 CA VAL A 75 2.222 2.311 7.292 1.00 0.00 C ATOM 1103 C VAL A 75 1.379 3.411 7.940 1.00 0.00 C ATOM 1104 O VAL A 75 0.364 3.127 8.574 1.00 0.00 O ATOM 1105 CB VAL A 75 1.798 2.003 5.854 1.00 0.00 C ATOM 1106 CG1 VAL A 75 2.631 0.861 5.269 1.00 0.00 C ATOM 1107 CG2 VAL A 75 0.303 1.686 5.778 1.00 0.00 C ATOM 0 H VAL A 75 1.826 0.276 7.601 1.00 0.00 H new ATOM 0 HA VAL A 75 3.249 2.674 7.245 1.00 0.00 H new ATOM 0 HB VAL A 75 1.982 2.894 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.309 0.663 4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.684 1.141 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.494 -0.036 5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.029 1.471 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.083 0.818 6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.269 2.543 6.135 1.00 0.00 H new ATOM 1117 N ASP A 76 1.832 4.643 7.760 1.00 0.00 N ATOM 1118 CA ASP A 76 1.133 5.786 8.320 1.00 0.00 C ATOM 1119 C ASP A 76 0.587 6.652 7.183 1.00 0.00 C ATOM 1120 O ASP A 76 1.355 7.204 6.396 1.00 0.00 O ATOM 1121 CB ASP A 76 2.074 6.650 9.162 1.00 0.00 C ATOM 1122 CG ASP A 76 1.549 7.014 10.552 1.00 0.00 C ATOM 1123 OD1 ASP A 76 0.508 6.437 10.934 1.00 0.00 O ATOM 1124 OD2 ASP A 76 2.200 7.861 11.201 1.00 0.00 O ATOM 0 H ASP A 76 2.675 4.874 7.234 1.00 0.00 H new ATOM 0 HA ASP A 76 0.327 5.411 8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.022 6.124 9.275 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.283 7.570 8.617 1.00 0.00 H new ATOM 1129 N PRO A 77 -0.768 6.747 7.132 1.00 0.00 N ATOM 1130 CA PRO A 77 -1.425 7.537 6.104 1.00 0.00 C ATOM 1131 C PRO A 77 -1.297 9.033 6.396 1.00 0.00 C ATOM 1132 O PRO A 77 -1.392 9.857 5.488 1.00 0.00 O ATOM 1133 CB PRO A 77 -2.866 7.054 6.097 1.00 0.00 C ATOM 1134 CG PRO A 77 -3.075 6.348 7.428 1.00 0.00 C ATOM 1135 CD PRO A 77 -1.708 6.107 8.047 1.00 0.00 C ATOM 0 HA PRO A 77 -0.971 7.409 5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.557 7.889 5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.047 6.376 5.263 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.692 6.956 8.090 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.599 5.404 7.281 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.644 6.539 9.046 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.501 5.042 8.146 1.00 0.00 H new ATOM 1143 N GLU A 78 -1.083 9.339 7.668 1.00 0.00 N ATOM 1144 CA GLU A 78 -0.941 10.721 8.091 1.00 0.00 C ATOM 1145 C GLU A 78 -2.273 11.461 7.943 1.00 0.00 C ATOM 1146 O GLU A 78 -2.329 12.680 8.096 1.00 0.00 O ATOM 1147 CB GLU A 78 0.167 11.424 7.305 1.00 0.00 C ATOM 1148 CG GLU A 78 1.445 11.534 8.139 1.00 0.00 C ATOM 1149 CD GLU A 78 1.839 12.997 8.349 1.00 0.00 C ATOM 1150 OE1 GLU A 78 1.287 13.604 9.292 1.00 0.00 O ATOM 1151 OE2 GLU A 78 2.684 13.476 7.563 1.00 0.00 O ATOM 0 H GLU A 78 -1.005 8.653 8.419 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.657 10.731 9.143 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.373 10.872 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.166 12.419 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.296 11.052 9.105 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.256 11.003 7.640 1.00 0.00 H new ATOM 1158 N GLY A 79 -3.310 10.693 7.647 1.00 0.00 N ATOM 1159 CA GLY A 79 -4.637 11.260 7.476 1.00 0.00 C ATOM 1160 C GLY A 79 -4.988 11.397 5.993 1.00 0.00 C ATOM 1161 O GLY A 79 -6.115 11.750 5.649 1.00 0.00 O ATOM 0 H GLY A 79 -3.259 9.682 7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.373 10.627 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.683 12.237 7.956 1.00 0.00 H new ATOM 1165 N ARG A 80 -4.003 11.110 5.156 1.00 0.00 N ATOM 1166 CA ARG A 80 -4.194 11.196 3.718 1.00 0.00 C ATOM 1167 C ARG A 80 -5.169 10.116 3.246 1.00 0.00 C ATOM 1168 O ARG A 80 -4.800 8.949 3.129 1.00 0.00 O ATOM 1169 CB ARG A 80 -2.866 11.034 2.975 1.00 0.00 C ATOM 1170 CG ARG A 80 -2.101 12.358 2.924 1.00 0.00 C ATOM 1171 CD ARG A 80 -0.778 12.256 3.686 1.00 0.00 C ATOM 1172 NE ARG A 80 0.317 12.837 2.879 1.00 0.00 N ATOM 1173 CZ ARG A 80 1.619 12.687 3.159 1.00 0.00 C ATOM 1174 NH1 ARG A 80 1.996 11.973 4.228 1.00 0.00 N ATOM 1175 NH2 ARG A 80 2.544 13.250 2.370 1.00 0.00 N ATOM 0 H ARG A 80 -3.070 10.818 5.446 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.603 12.182 3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.258 10.277 3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.053 10.679 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.907 12.631 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.712 13.152 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.856 12.780 4.639 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.559 11.213 3.913 1.00 0.00 H new ATOM 0 HE ARG A 80 0.065 13.387 2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.292 11.544 4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.987 11.859 4.441 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.257 13.793 1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.535 13.135 2.584 1.00 0.00 H new ATOM 1189 N ALA A 81 -6.396 10.544 2.987 1.00 0.00 N ATOM 1190 CA ALA A 81 -7.428 9.628 2.531 1.00 0.00 C ATOM 1191 C ALA A 81 -6.862 8.743 1.418 1.00 0.00 C ATOM 1192 O ALA A 81 -7.023 7.524 1.447 1.00 0.00 O ATOM 1193 CB ALA A 81 -8.653 10.424 2.077 1.00 0.00 C ATOM 0 H ALA A 81 -6.699 11.513 3.084 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.747 8.974 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.427 9.737 1.735 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.034 11.013 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.372 11.090 1.261 1.00 0.00 H new ATOM 1199 N ASP A 82 -6.211 9.392 0.464 1.00 0.00 N ATOM 1200 CA ASP A 82 -5.621 8.679 -0.657 1.00 0.00 C ATOM 1201 C ASP A 82 -4.890 7.439 -0.138 1.00 0.00 C ATOM 1202 O ASP A 82 -5.115 6.333 -0.626 1.00 0.00 O ATOM 1203 CB ASP A 82 -4.604 9.554 -1.392 1.00 0.00 C ATOM 1204 CG ASP A 82 -5.056 10.994 -1.649 1.00 0.00 C ATOM 1205 OD1 ASP A 82 -5.127 11.751 -0.657 1.00 0.00 O ATOM 1206 OD2 ASP A 82 -5.319 11.304 -2.831 1.00 0.00 O ATOM 0 H ASP A 82 -6.079 10.403 0.444 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.423 8.405 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.681 9.577 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.369 9.087 -2.348 1.00 0.00 H new ATOM 1211 N VAL A 83 -4.030 7.666 0.844 1.00 0.00 N ATOM 1212 CA VAL A 83 -3.265 6.580 1.434 1.00 0.00 C ATOM 1213 C VAL A 83 -4.200 5.688 2.252 1.00 0.00 C ATOM 1214 O VAL A 83 -4.323 4.495 1.977 1.00 0.00 O ATOM 1215 CB VAL A 83 -2.105 7.145 2.257 1.00 0.00 C ATOM 1216 CG1 VAL A 83 -1.231 6.020 2.815 1.00 0.00 C ATOM 1217 CG2 VAL A 83 -1.273 8.128 1.431 1.00 0.00 C ATOM 0 H VAL A 83 -3.846 8.585 1.246 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.822 5.958 0.656 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.527 7.691 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.414 6.448 3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.833 5.375 3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.823 5.434 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.456 8.514 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.865 7.617 0.559 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.904 8.954 1.105 1.00 0.00 H new ATOM 1227 N ARG A 84 -4.835 6.300 3.240 1.00 0.00 N ATOM 1228 CA ARG A 84 -5.756 5.576 4.100 1.00 0.00 C ATOM 1229 C ARG A 84 -6.571 4.574 3.280 1.00 0.00 C ATOM 1230 O ARG A 84 -6.694 3.410 3.660 1.00 0.00 O ATOM 1231 CB ARG A 84 -6.710 6.534 4.816 1.00 0.00 C ATOM 1232 CG ARG A 84 -5.940 7.505 5.714 1.00 0.00 C ATOM 1233 CD ARG A 84 -6.899 8.352 6.555 1.00 0.00 C ATOM 1234 NE ARG A 84 -6.560 8.225 7.990 1.00 0.00 N ATOM 1235 CZ ARG A 84 -7.296 8.739 8.984 1.00 0.00 C ATOM 1236 NH1 ARG A 84 -8.417 9.418 8.705 1.00 0.00 N ATOM 1237 NH2 ARG A 84 -6.912 8.575 10.257 1.00 0.00 N ATOM 0 H ARG A 84 -4.730 7.289 3.465 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.165 5.045 4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.289 7.094 4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.421 5.965 5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.271 6.947 6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -5.316 8.156 5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.838 9.397 6.249 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.926 8.030 6.386 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.713 7.714 8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.710 9.543 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.978 9.810 9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.059 8.058 10.470 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.473 8.967 11.013 1.00 0.00 H new ATOM 1251 N GLN A 85 -7.107 5.062 2.171 1.00 0.00 N ATOM 1252 CA GLN A 85 -7.907 4.223 1.295 1.00 0.00 C ATOM 1253 C GLN A 85 -7.130 2.962 0.912 1.00 0.00 C ATOM 1254 O GLN A 85 -7.582 1.848 1.169 1.00 0.00 O ATOM 1255 CB GLN A 85 -8.347 4.995 0.049 1.00 0.00 C ATOM 1256 CG GLN A 85 -9.025 4.066 -0.960 1.00 0.00 C ATOM 1257 CD GLN A 85 -10.497 4.440 -1.146 1.00 0.00 C ATOM 1258 OE1 GLN A 85 -11.397 3.798 -0.629 1.00 0.00 O ATOM 1259 NE2 GLN A 85 -10.691 5.511 -1.910 1.00 0.00 N ATOM 0 H GLN A 85 -7.003 6.028 1.859 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.806 3.923 1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.034 5.792 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.482 5.470 -0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.508 4.124 -1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.949 3.034 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.892 6.002 -2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.638 5.841 -2.094 1.00 0.00 H new ATOM 1268 N ALA A 86 -5.973 3.181 0.304 1.00 0.00 N ATOM 1269 CA ALA A 86 -5.128 2.075 -0.116 1.00 0.00 C ATOM 1270 C ALA A 86 -4.961 1.096 1.047 1.00 0.00 C ATOM 1271 O ALA A 86 -5.203 -0.101 0.895 1.00 0.00 O ATOM 1272 CB ALA A 86 -3.789 2.619 -0.619 1.00 0.00 C ATOM 0 H ALA A 86 -5.601 4.107 0.092 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.589 1.531 -0.940 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.155 1.790 -0.934 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.961 3.286 -1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.296 3.169 0.182 1.00 0.00 H new ATOM 1278 N ARG A 87 -4.547 1.640 2.182 1.00 0.00 N ATOM 1279 CA ARG A 87 -4.344 0.829 3.370 1.00 0.00 C ATOM 1280 C ARG A 87 -5.563 -0.062 3.619 1.00 0.00 C ATOM 1281 O ARG A 87 -5.422 -1.212 4.032 1.00 0.00 O ATOM 1282 CB ARG A 87 -4.102 1.705 4.601 1.00 0.00 C ATOM 1283 CG ARG A 87 -3.092 1.054 5.548 1.00 0.00 C ATOM 1284 CD ARG A 87 -2.600 2.053 6.596 1.00 0.00 C ATOM 1285 NE ARG A 87 -3.569 2.134 7.712 1.00 0.00 N ATOM 1286 CZ ARG A 87 -4.663 2.908 7.703 1.00 0.00 C ATOM 1287 NH1 ARG A 87 -4.934 3.672 6.636 1.00 0.00 N ATOM 1288 NH2 ARG A 87 -5.486 2.917 8.761 1.00 0.00 N ATOM 0 H ARG A 87 -4.347 2.633 2.304 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.464 0.209 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.735 2.683 4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.043 1.870 5.125 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.552 0.199 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.245 0.674 4.977 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.624 1.747 6.972 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.473 3.036 6.142 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.393 1.565 8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -4.308 3.664 5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.767 4.261 6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.280 2.335 9.573 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.319 3.506 8.754 1.00 0.00 H new ATOM 1302 N ARG A 88 -6.733 0.503 3.357 1.00 0.00 N ATOM 1303 CA ARG A 88 -7.975 -0.226 3.548 1.00 0.00 C ATOM 1304 C ARG A 88 -8.095 -1.349 2.516 1.00 0.00 C ATOM 1305 O ARG A 88 -8.053 -2.527 2.869 1.00 0.00 O ATOM 1306 CB ARG A 88 -9.184 0.704 3.422 1.00 0.00 C ATOM 1307 CG ARG A 88 -9.978 0.751 4.728 1.00 0.00 C ATOM 1308 CD ARG A 88 -11.283 1.529 4.549 1.00 0.00 C ATOM 1309 NE ARG A 88 -12.253 1.140 5.598 1.00 0.00 N ATOM 1310 CZ ARG A 88 -13.557 1.444 5.565 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -14.057 2.141 4.536 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.362 1.049 6.561 1.00 0.00 N ATOM 0 H ARG A 88 -6.847 1.457 3.014 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.960 -0.650 4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -8.849 1.708 3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -9.828 0.361 2.613 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -10.198 -0.263 5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.376 1.218 5.507 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.088 2.600 4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -11.702 1.330 3.563 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.906 0.607 6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.445 2.440 3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.050 2.372 4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.982 0.517 7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.355 1.280 6.536 1.00 0.00 H new ATOM 1326 N ASP A 89 -8.242 -0.946 1.263 1.00 0.00 N ATOM 1327 CA ASP A 89 -8.369 -1.904 0.178 1.00 0.00 C ATOM 1328 C ASP A 89 -7.364 -3.039 0.387 1.00 0.00 C ATOM 1329 O ASP A 89 -7.743 -4.209 0.424 1.00 0.00 O ATOM 1330 CB ASP A 89 -8.069 -1.250 -1.172 1.00 0.00 C ATOM 1331 CG ASP A 89 -9.172 -1.399 -2.222 1.00 0.00 C ATOM 1332 OD1 ASP A 89 -9.790 -2.485 -2.246 1.00 0.00 O ATOM 1333 OD2 ASP A 89 -9.373 -0.423 -2.976 1.00 0.00 O ATOM 0 H ASP A 89 -8.276 0.032 0.974 1.00 0.00 H new ATOM 0 HA ASP A 89 -9.392 -2.280 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.883 -0.188 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.149 -1.678 -1.570 1.00 0.00 H new ATOM 1338 N GLY A 90 -6.103 -2.654 0.518 1.00 0.00 N ATOM 1339 CA GLY A 90 -5.042 -3.625 0.722 1.00 0.00 C ATOM 1340 C GLY A 90 -5.398 -4.599 1.847 1.00 0.00 C ATOM 1341 O GLY A 90 -5.234 -5.810 1.700 1.00 0.00 O ATOM 0 H GLY A 90 -5.792 -1.683 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.868 -4.178 -0.201 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.113 -3.108 0.964 1.00 0.00 H new ATOM 1345 N VAL A 91 -5.880 -4.035 2.944 1.00 0.00 N ATOM 1346 CA VAL A 91 -6.262 -4.839 4.093 1.00 0.00 C ATOM 1347 C VAL A 91 -7.438 -5.740 3.712 1.00 0.00 C ATOM 1348 O VAL A 91 -7.427 -6.935 4.001 1.00 0.00 O ATOM 1349 CB VAL A 91 -6.566 -3.932 5.288 1.00 0.00 C ATOM 1350 CG1 VAL A 91 -7.208 -4.725 6.428 1.00 0.00 C ATOM 1351 CG2 VAL A 91 -5.303 -3.211 5.764 1.00 0.00 C ATOM 0 H VAL A 91 -6.015 -3.031 3.062 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.440 -5.488 4.395 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.280 -3.176 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.414 -4.057 7.265 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.140 -5.171 6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.528 -5.513 6.751 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.547 -2.573 6.614 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.556 -3.946 6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.906 -2.600 4.954 1.00 0.00 H new ATOM 1361 N ARG A 92 -8.424 -5.132 3.069 1.00 0.00 N ATOM 1362 CA ARG A 92 -9.605 -5.865 2.646 1.00 0.00 C ATOM 1363 C ARG A 92 -9.213 -7.004 1.703 1.00 0.00 C ATOM 1364 O ARG A 92 -9.873 -8.042 1.669 1.00 0.00 O ATOM 1365 CB ARG A 92 -10.599 -4.944 1.935 1.00 0.00 C ATOM 1366 CG ARG A 92 -11.538 -4.272 2.939 1.00 0.00 C ATOM 1367 CD ARG A 92 -13.000 -4.593 2.623 1.00 0.00 C ATOM 1368 NE ARG A 92 -13.165 -6.049 2.415 1.00 0.00 N ATOM 1369 CZ ARG A 92 -14.343 -6.648 2.197 1.00 0.00 C ATOM 1370 NH1 ARG A 92 -15.467 -5.920 2.157 1.00 0.00 N ATOM 1371 NH2 ARG A 92 -14.397 -7.975 2.020 1.00 0.00 N ATOM 0 H ARG A 92 -8.429 -4.140 2.831 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.079 -6.274 3.538 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.057 -4.183 1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.182 -5.518 1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.298 -4.608 3.948 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.386 -3.193 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.639 -4.259 3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.315 -4.052 1.731 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.329 -6.633 2.439 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.425 -4.910 2.293 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.364 -6.376 1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.541 -8.529 2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.294 -8.431 1.854 1.00 0.00 H new ATOM 1385 N LYS A 93 -8.140 -6.773 0.961 1.00 0.00 N ATOM 1386 CA LYS A 93 -7.652 -7.768 0.021 1.00 0.00 C ATOM 1387 C LYS A 93 -7.122 -8.977 0.794 1.00 0.00 C ATOM 1388 O LYS A 93 -7.561 -10.104 0.567 1.00 0.00 O ATOM 1389 CB LYS A 93 -6.627 -7.148 -0.931 1.00 0.00 C ATOM 1390 CG LYS A 93 -5.716 -8.222 -1.530 1.00 0.00 C ATOM 1391 CD LYS A 93 -6.490 -9.123 -2.494 1.00 0.00 C ATOM 1392 CE LYS A 93 -5.578 -10.194 -3.095 1.00 0.00 C ATOM 1393 NZ LYS A 93 -5.256 -9.870 -4.502 1.00 0.00 N ATOM 0 H LYS A 93 -7.595 -5.911 0.992 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.464 -8.126 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.143 -6.616 -1.731 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.026 -6.413 -0.396 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.887 -7.749 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.284 -8.825 -0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.318 -9.599 -1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.924 -8.520 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.659 -10.266 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.066 -11.167 -3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.636 -10.607 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.134 -9.824 -5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.771 -8.951 -4.544 1.00 0.00 H new ATOM 1407 N VAL A 94 -6.185 -8.702 1.690 1.00 0.00 N ATOM 1408 CA VAL A 94 -5.591 -9.754 2.497 1.00 0.00 C ATOM 1409 C VAL A 94 -6.697 -10.517 3.228 1.00 0.00 C ATOM 1410 O VAL A 94 -6.750 -11.745 3.173 1.00 0.00 O ATOM 1411 CB VAL A 94 -4.548 -9.159 3.445 1.00 0.00 C ATOM 1412 CG1 VAL A 94 -3.838 -10.258 4.238 1.00 0.00 C ATOM 1413 CG2 VAL A 94 -3.541 -8.296 2.681 1.00 0.00 C ATOM 0 H VAL A 94 -5.823 -7.766 1.875 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.066 -10.470 1.865 1.00 0.00 H new ATOM 0 HB VAL A 94 -5.069 -8.516 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.102 -9.808 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.569 -10.812 4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.336 -10.938 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.811 -7.885 3.378 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.029 -8.907 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.065 -7.481 2.182 1.00 0.00 H new ATOM 1423 N GLN A 95 -7.553 -9.758 3.896 1.00 0.00 N ATOM 1424 CA GLN A 95 -8.655 -10.347 4.638 1.00 0.00 C ATOM 1425 C GLN A 95 -9.355 -11.412 3.791 1.00 0.00 C ATOM 1426 O GLN A 95 -9.622 -12.514 4.269 1.00 0.00 O ATOM 1427 CB GLN A 95 -9.644 -9.274 5.096 1.00 0.00 C ATOM 1428 CG GLN A 95 -9.014 -8.361 6.149 1.00 0.00 C ATOM 1429 CD GLN A 95 -9.973 -8.129 7.319 1.00 0.00 C ATOM 1430 OE1 GLN A 95 -11.177 -8.288 7.208 1.00 0.00 O ATOM 1431 NE2 GLN A 95 -9.373 -7.745 8.442 1.00 0.00 N ATOM 0 H GLN A 95 -7.506 -8.740 3.939 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.252 -10.826 5.530 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.964 -8.680 4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.536 -9.748 5.507 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -8.089 -8.807 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -8.750 -7.406 5.696 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -8.360 -7.631 8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -9.926 -7.564 9.280 1.00 0.00 H new ATOM 1440 N THR A 96 -9.632 -11.046 2.548 1.00 0.00 N ATOM 1441 CA THR A 96 -10.296 -11.957 1.630 1.00 0.00 C ATOM 1442 C THR A 96 -9.495 -13.253 1.493 1.00 0.00 C ATOM 1443 O THR A 96 -10.067 -14.320 1.275 1.00 0.00 O ATOM 1444 CB THR A 96 -10.499 -11.225 0.302 1.00 0.00 C ATOM 1445 OG1 THR A 96 -11.471 -10.226 0.601 1.00 0.00 O ATOM 1446 CG2 THR A 96 -11.178 -12.101 -0.752 1.00 0.00 C ATOM 0 H THR A 96 -9.409 -10.132 2.155 1.00 0.00 H new ATOM 0 HA THR A 96 -11.275 -12.255 2.007 1.00 0.00 H new ATOM 0 HB THR A 96 -9.535 -10.885 -0.075 1.00 0.00 H new ATOM 0 HG1 THR A 96 -11.025 -9.437 0.974 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.298 -11.533 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.564 -12.981 -0.945 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.157 -12.414 -0.389 1.00 0.00 H new ATOM 1454 N ILE A 97 -8.184 -13.118 1.626 1.00 0.00 N ATOM 1455 CA ILE A 97 -7.299 -14.266 1.520 1.00 0.00 C ATOM 1456 C ILE A 97 -7.521 -15.189 2.720 1.00 0.00 C ATOM 1457 O ILE A 97 -7.491 -16.411 2.582 1.00 0.00 O ATOM 1458 CB ILE A 97 -5.848 -13.810 1.355 1.00 0.00 C ATOM 1459 CG1 ILE A 97 -5.724 -12.768 0.241 1.00 0.00 C ATOM 1460 CG2 ILE A 97 -4.920 -15.005 1.127 1.00 0.00 C ATOM 1461 CD1 ILE A 97 -4.336 -12.125 0.244 1.00 0.00 C ATOM 0 H ILE A 97 -7.713 -12.231 1.806 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.531 -14.844 0.626 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.534 -13.330 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.908 -13.239 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.485 -11.999 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.895 -14.653 1.013 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.979 -15.680 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.224 -15.535 0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.274 -11.389 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.164 -11.634 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.579 -12.894 0.089 1.00 0.00 H new ATOM 1473 N LEU A 98 -7.738 -14.568 3.870 1.00 0.00 N ATOM 1474 CA LEU A 98 -7.965 -15.319 5.094 1.00 0.00 C ATOM 1475 C LEU A 98 -9.263 -16.118 4.964 1.00 0.00 C ATOM 1476 O LEU A 98 -9.274 -17.330 5.172 1.00 0.00 O ATOM 1477 CB LEU A 98 -7.935 -14.387 6.307 1.00 0.00 C ATOM 1478 CG LEU A 98 -6.549 -14.051 6.861 1.00 0.00 C ATOM 1479 CD1 LEU A 98 -5.894 -15.285 7.485 1.00 0.00 C ATOM 1480 CD2 LEU A 98 -5.667 -13.417 5.783 1.00 0.00 C ATOM 0 H LEU A 98 -7.762 -13.554 3.981 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.162 -16.039 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.432 -13.455 6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.523 -14.842 7.104 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.668 -13.314 7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.910 -15.019 7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.516 -15.654 8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.789 -16.063 6.729 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.687 -13.188 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.552 -14.112 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.133 -12.498 5.426 1.00 0.00 H new ATOM 1492 N GLU A 99 -10.327 -15.406 4.620 1.00 0.00 N ATOM 1493 CA GLU A 99 -11.627 -16.034 4.460 1.00 0.00 C ATOM 1494 C GLU A 99 -11.556 -17.142 3.408 1.00 0.00 C ATOM 1495 O GLU A 99 -12.427 -18.008 3.353 1.00 0.00 O ATOM 1496 CB GLU A 99 -12.694 -14.999 4.096 1.00 0.00 C ATOM 1497 CG GLU A 99 -13.846 -15.021 5.103 1.00 0.00 C ATOM 1498 CD GLU A 99 -14.976 -15.935 4.623 1.00 0.00 C ATOM 1499 OE1 GLU A 99 -15.268 -15.887 3.409 1.00 0.00 O ATOM 1500 OE2 GLU A 99 -15.522 -16.661 5.482 1.00 0.00 O ATOM 0 H GLU A 99 -10.315 -14.401 4.448 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.912 -16.482 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.248 -14.005 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -13.077 -15.202 3.096 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.481 -15.365 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.227 -14.010 5.247 1.00 0.00 H new ATOM 1507 N LYS A 100 -10.510 -17.078 2.597 1.00 0.00 N ATOM 1508 CA LYS A 100 -10.313 -18.065 1.550 1.00 0.00 C ATOM 1509 C LYS A 100 -9.628 -19.299 2.140 1.00 0.00 C ATOM 1510 O LYS A 100 -10.170 -20.402 2.081 1.00 0.00 O ATOM 1511 CB LYS A 100 -9.560 -17.450 0.368 1.00 0.00 C ATOM 1512 CG LYS A 100 -9.407 -18.461 -0.770 1.00 0.00 C ATOM 1513 CD LYS A 100 -9.253 -17.750 -2.117 1.00 0.00 C ATOM 1514 CE LYS A 100 -7.854 -17.149 -2.263 1.00 0.00 C ATOM 1515 NZ LYS A 100 -6.875 -18.198 -2.627 1.00 0.00 N ATOM 0 H LYS A 100 -9.790 -16.357 2.644 1.00 0.00 H new ATOM 0 HA LYS A 100 -11.273 -18.393 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -10.095 -16.571 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.576 -17.113 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.538 -19.092 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -10.277 -19.117 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.436 -18.455 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.002 -16.963 -2.204 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.864 -16.371 -3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -7.556 -16.674 -1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.070 -18.165 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.330 -19.132 -2.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.537 -18.036 -3.597 1.00 0.00 H new ATOM 1529 N LEU A 101 -8.447 -19.072 2.696 1.00 0.00 N ATOM 1530 CA LEU A 101 -7.683 -20.152 3.296 1.00 0.00 C ATOM 1531 C LEU A 101 -8.610 -21.009 4.159 1.00 0.00 C ATOM 1532 O LEU A 101 -8.678 -22.225 3.986 1.00 0.00 O ATOM 1533 CB LEU A 101 -6.475 -19.597 4.054 1.00 0.00 C ATOM 1534 CG LEU A 101 -5.591 -20.630 4.755 1.00 0.00 C ATOM 1535 CD1 LEU A 101 -4.815 -21.468 3.737 1.00 0.00 C ATOM 1536 CD2 LEU A 101 -4.663 -19.959 5.770 1.00 0.00 C ATOM 0 H LEU A 101 -8.001 -18.156 2.743 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.274 -20.804 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.858 -19.036 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.834 -18.888 4.801 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.236 -21.312 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.194 -22.195 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.516 -21.992 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.181 -20.816 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.046 -20.716 6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.022 -19.241 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.259 -19.442 6.522 1.00 0.00 H new ATOM 1548 N GLU A 102 -9.302 -20.342 5.071 1.00 0.00 N ATOM 1549 CA GLU A 102 -10.223 -21.027 5.962 1.00 0.00 C ATOM 1550 C GLU A 102 -10.967 -22.132 5.209 1.00 0.00 C ATOM 1551 O GLU A 102 -10.737 -23.316 5.451 1.00 0.00 O ATOM 1552 CB GLU A 102 -11.204 -20.042 6.600 1.00 0.00 C ATOM 1553 CG GLU A 102 -10.485 -19.101 7.568 1.00 0.00 C ATOM 1554 CD GLU A 102 -11.447 -18.567 8.631 1.00 0.00 C ATOM 1555 OE1 GLU A 102 -12.187 -19.401 9.197 1.00 0.00 O ATOM 1556 OE2 GLU A 102 -11.421 -17.337 8.854 1.00 0.00 O ATOM 0 H GLU A 102 -9.243 -19.334 5.212 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.647 -21.486 6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.699 -19.460 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -11.982 -20.591 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.662 -19.629 8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.050 -18.268 7.015 1.00 0.00 H new ATOM 1563 N GLN A 103 -11.843 -21.706 4.311 1.00 0.00 N ATOM 1564 CA GLN A 103 -12.622 -22.644 3.522 1.00 0.00 C ATOM 1565 C GLN A 103 -11.702 -23.672 2.860 1.00 0.00 C ATOM 1566 O GLN A 103 -12.006 -24.864 2.847 1.00 0.00 O ATOM 1567 CB GLN A 103 -13.467 -21.912 2.477 1.00 0.00 C ATOM 1568 CG GLN A 103 -14.627 -21.164 3.137 1.00 0.00 C ATOM 1569 CD GLN A 103 -15.042 -19.951 2.303 1.00 0.00 C ATOM 1570 OE1 GLN A 103 -14.981 -19.952 1.085 1.00 0.00 O ATOM 1571 NE2 GLN A 103 -15.468 -18.918 3.025 1.00 0.00 N ATOM 0 H GLN A 103 -12.030 -20.723 4.112 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.304 -23.171 4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.842 -21.209 1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -13.856 -22.627 1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.477 -21.836 3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.334 -20.840 4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -15.494 -18.983 4.043 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.769 -18.061 2.561 1.00 0.00 H new ATOM 1580 N LYS A 104 -10.597 -23.173 2.326 1.00 0.00 N ATOM 1581 CA LYS A 104 -9.631 -24.034 1.664 1.00 0.00 C ATOM 1582 C LYS A 104 -9.280 -25.203 2.586 1.00 0.00 C ATOM 1583 O LYS A 104 -9.171 -26.343 2.136 1.00 0.00 O ATOM 1584 CB LYS A 104 -8.416 -23.224 1.208 1.00 0.00 C ATOM 1585 CG LYS A 104 -8.847 -21.988 0.415 1.00 0.00 C ATOM 1586 CD LYS A 104 -8.407 -22.094 -1.046 1.00 0.00 C ATOM 1587 CE LYS A 104 -8.944 -23.374 -1.689 1.00 0.00 C ATOM 1588 NZ LYS A 104 -8.694 -23.365 -3.148 1.00 0.00 N ATOM 0 H LYS A 104 -10.349 -22.184 2.338 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.059 -24.461 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.832 -22.918 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -7.769 -23.848 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.930 -21.879 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.415 -21.094 0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.764 -21.227 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.319 -22.083 -1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.466 -24.243 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.013 -23.463 -1.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -9.065 -24.241 -3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -9.170 -22.546 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.671 -23.302 -3.325 1.00 0.00 H new ATOM 1602 N ALA A 105 -9.112 -24.880 3.860 1.00 0.00 N ATOM 1603 CA ALA A 105 -8.775 -25.890 4.850 1.00 0.00 C ATOM 1604 C ALA A 105 -10.007 -26.753 5.131 1.00 0.00 C ATOM 1605 O ALA A 105 -9.913 -27.979 5.176 1.00 0.00 O ATOM 1606 CB ALA A 105 -8.240 -25.210 6.112 1.00 0.00 C ATOM 0 H ALA A 105 -9.203 -23.934 4.230 1.00 0.00 H new ATOM 0 HA ALA A 105 -7.990 -26.547 4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.987 -25.967 6.854 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.349 -24.633 5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -9.002 -24.545 6.518 1.00 0.00 H new ATOM 1612 N SER A 106 -11.133 -26.080 5.312 1.00 0.00 N ATOM 1613 CA SER A 106 -12.382 -26.770 5.587 1.00 0.00 C ATOM 1614 C SER A 106 -12.848 -27.526 4.341 1.00 0.00 C ATOM 1615 O SER A 106 -13.827 -28.268 4.391 1.00 0.00 O ATOM 1616 CB SER A 106 -13.463 -25.791 6.048 1.00 0.00 C ATOM 1617 OG SER A 106 -13.217 -25.306 7.366 1.00 0.00 O ATOM 0 H SER A 106 -11.207 -25.063 5.274 1.00 0.00 H new ATOM 0 HA SER A 106 -12.208 -27.483 6.393 1.00 0.00 H new ATOM 0 HB2 SER A 106 -13.510 -24.951 5.355 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.435 -26.284 6.018 1.00 0.00 H new ATOM 0 HG SER A 106 -14.070 -25.178 7.832 1.00 0.00 H new ATOM 1623 N GLY A 107 -12.123 -27.312 3.253 1.00 0.00 N ATOM 1624 CA GLY A 107 -12.450 -27.964 1.996 1.00 0.00 C ATOM 1625 C GLY A 107 -12.320 -29.483 2.117 1.00 0.00 C ATOM 1626 O GLY A 107 -12.644 -30.057 3.155 1.00 0.00 O ATOM 0 H GLY A 107 -11.310 -26.696 3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -13.467 -27.705 1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -11.788 -27.600 1.210 1.00 0.00 H new ATOM 1630 N PRO A 108 -11.833 -30.108 1.011 1.00 0.00 N ATOM 1631 CA PRO A 108 -11.656 -31.550 0.983 1.00 0.00 C ATOM 1632 C PRO A 108 -10.433 -31.969 1.802 1.00 0.00 C ATOM 1633 O PRO A 108 -9.401 -31.299 1.770 1.00 0.00 O ATOM 1634 CB PRO A 108 -11.534 -31.903 -0.490 1.00 0.00 C ATOM 1635 CG PRO A 108 -11.182 -30.607 -1.201 1.00 0.00 C ATOM 1636 CD PRO A 108 -11.439 -29.461 -0.237 1.00 0.00 C ATOM 0 HA PRO A 108 -12.489 -32.085 1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -10.763 -32.657 -0.648 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -12.468 -32.317 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -10.138 -30.615 -1.514 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -11.784 -30.490 -2.102 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -10.547 -28.850 -0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -12.224 -28.801 -0.606 1.00 0.00 H new ATOM 1644 N SER A 109 -10.588 -33.074 2.516 1.00 0.00 N ATOM 1645 CA SER A 109 -9.509 -33.590 3.341 1.00 0.00 C ATOM 1646 C SER A 109 -8.477 -34.305 2.466 1.00 0.00 C ATOM 1647 O SER A 109 -8.698 -35.437 2.039 1.00 0.00 O ATOM 1648 CB SER A 109 -10.043 -34.539 4.415 1.00 0.00 C ATOM 1649 OG SER A 109 -11.072 -33.937 5.195 1.00 0.00 O ATOM 0 H SER A 109 -11.445 -33.627 2.540 1.00 0.00 H new ATOM 0 HA SER A 109 -9.030 -32.749 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.428 -35.442 3.942 1.00 0.00 H new ATOM 0 HB3 SER A 109 -9.225 -34.845 5.068 1.00 0.00 H new ATOM 0 HG SER A 109 -11.388 -34.575 5.868 1.00 0.00 H new ATOM 1655 N SER A 110 -7.372 -33.614 2.226 1.00 0.00 N ATOM 1656 CA SER A 110 -6.305 -34.169 1.410 1.00 0.00 C ATOM 1657 C SER A 110 -5.716 -35.407 2.090 1.00 0.00 C ATOM 1658 O SER A 110 -5.685 -36.487 1.502 1.00 0.00 O ATOM 1659 CB SER A 110 -5.210 -33.132 1.155 1.00 0.00 C ATOM 1660 OG SER A 110 -3.989 -33.736 0.739 1.00 0.00 O ATOM 0 H SER A 110 -7.193 -32.675 2.582 1.00 0.00 H new ATOM 0 HA SER A 110 -6.726 -34.457 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.546 -32.430 0.391 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.038 -32.556 2.064 1.00 0.00 H new ATOM 0 HG SER A 110 -3.316 -33.041 0.585 1.00 0.00 H new ATOM 1666 N GLY A 111 -5.264 -35.208 3.319 1.00 0.00 N ATOM 1667 CA GLY A 111 -4.677 -36.295 4.085 1.00 0.00 C ATOM 1668 C GLY A 111 -5.657 -36.812 5.141 1.00 0.00 C ATOM 1669 O GLY A 111 -5.350 -36.809 6.332 1.00 0.00 O ATOM 0 H GLY A 111 -5.292 -34.311 3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -4.397 -37.108 3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.763 -35.952 4.569 1.00 0.00 H new TER 1673 GLY A 111