USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 776 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 NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 90 GLN : amide:sc= -0.742 K(o=-0.69,f=-5.4) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= 0.0518 (180deg=0) USER MOD Set 2.1: A 62 SER OG : rot 180:sc= -0.152 USER MOD Set 2.2: A 66 LYS NZ :NH3+ 145:sc= 0.186 (180deg=-0.099) USER MOD Set 3.1: A 57 HIS : no HD1:sc= -0.881 K(o=-1.3,f=-0.68) USER MOD Set 3.2: A 59 TYR OH : rot -1:sc= -0.381 USER MOD Set 4.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 8 MET CE :methyl -164:sc=-0.00324 (180deg=-0.151) USER MOD Single : A 11 SER OG : rot 180:sc= -0.0256 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0483 (180deg=-0.318) USER MOD Single : A 20 TYR OH : rot -12:sc= 1.43 USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= -0.41 (180deg=-0.578) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 37:sc= 0.147 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -137:sc= 0.5 (180deg=-0.0422) USER MOD Single : A 32 SER OG : rot -57:sc= 0.0168 USER MOD Single : A 34 SER OG : rot 30:sc= 0.687 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -103:sc= 0.166 USER MOD Single : A 42 MET CE :methyl -120:sc= -2.56 (180deg=-7.5!) USER MOD Single : A 45 MET CE :methyl 157:sc= -1.48 (180deg=-2.96!) USER MOD Single : A 47 GLN : amide:sc= -2.64 K(o=-2.6,f=-4.9!) USER MOD Single : A 48 SER OG : rot -162:sc= 0.238 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0875) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -3.33! K(o=-3.3!,f=-0.23) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.315 K(o=-0.31,f=-2.1!) USER MOD Single : A 91 LYS NZ :NH3+ -158:sc= -0.119 (180deg=-0.623) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 76:sc= 1.11 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.381 4.538 14.384 1.00 0.00 N ATOM 2 CA GLY A 1 4.777 5.372 15.504 1.00 0.00 C ATOM 3 C GLY A 1 3.661 5.553 16.514 1.00 0.00 C ATOM 4 O GLY A 1 3.417 4.678 17.344 1.00 0.00 O ATOM 0 H1 GLY A 1 5.178 4.445 13.722 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.108 3.597 14.732 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.574 4.974 13.895 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.641 4.927 15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.090 6.348 15.134 1.00 0.00 H new ATOM 8 N SER A 2 2.982 6.694 16.446 1.00 0.00 N ATOM 9 CA SER A 2 1.890 6.991 17.365 1.00 0.00 C ATOM 10 C SER A 2 0.999 8.098 16.811 1.00 0.00 C ATOM 11 O SER A 2 1.415 8.872 15.949 1.00 0.00 O ATOM 12 CB SER A 2 2.442 7.400 18.732 1.00 0.00 C ATOM 13 OG SER A 2 2.984 8.709 18.691 1.00 0.00 O ATOM 0 H SER A 2 3.169 7.428 15.763 1.00 0.00 H new ATOM 0 HA SER A 2 1.289 6.089 17.479 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.648 7.355 19.477 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.212 6.694 19.043 1.00 0.00 H new ATOM 0 HG SER A 2 3.329 8.948 19.577 1.00 0.00 H new ATOM 19 N SER A 3 -0.230 8.167 17.313 1.00 0.00 N ATOM 20 CA SER A 3 -1.182 9.177 16.866 1.00 0.00 C ATOM 21 C SER A 3 -0.544 10.563 16.866 1.00 0.00 C ATOM 22 O SER A 3 -0.172 11.088 17.915 1.00 0.00 O ATOM 23 CB SER A 3 -2.420 9.174 17.765 1.00 0.00 C ATOM 24 OG SER A 3 -3.329 10.193 17.386 1.00 0.00 O ATOM 0 H SER A 3 -0.590 7.536 18.029 1.00 0.00 H new ATOM 0 HA SER A 3 -1.481 8.933 15.846 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.913 8.203 17.707 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.120 9.318 18.803 1.00 0.00 H new ATOM 0 HG SER A 3 -4.112 10.169 17.975 1.00 0.00 H new ATOM 30 N GLY A 4 -0.421 11.151 15.680 1.00 0.00 N ATOM 31 CA GLY A 4 0.172 12.470 15.563 1.00 0.00 C ATOM 32 C GLY A 4 1.650 12.414 15.230 1.00 0.00 C ATOM 33 O GLY A 4 2.296 11.382 15.412 1.00 0.00 O ATOM 0 H GLY A 4 -0.722 10.737 14.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.351 13.033 14.789 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.034 13.011 16.499 1.00 0.00 H new ATOM 37 N SER A 5 2.187 13.527 14.739 1.00 0.00 N ATOM 38 CA SER A 5 3.597 13.598 14.374 1.00 0.00 C ATOM 39 C SER A 5 4.463 13.862 15.602 1.00 0.00 C ATOM 40 O SER A 5 4.142 14.713 16.432 1.00 0.00 O ATOM 41 CB SER A 5 3.821 14.697 13.333 1.00 0.00 C ATOM 42 OG SER A 5 3.859 15.976 13.942 1.00 0.00 O ATOM 0 H SER A 5 1.667 14.391 14.585 1.00 0.00 H new ATOM 0 HA SER A 5 3.885 12.638 13.947 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.756 14.515 12.803 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.023 14.668 12.591 1.00 0.00 H new ATOM 0 HG SER A 5 4.005 16.661 13.256 1.00 0.00 H new ATOM 48 N SER A 6 5.564 13.124 15.712 1.00 0.00 N ATOM 49 CA SER A 6 6.475 13.274 16.840 1.00 0.00 C ATOM 50 C SER A 6 7.512 14.358 16.560 1.00 0.00 C ATOM 51 O SER A 6 8.693 14.196 16.863 1.00 0.00 O ATOM 52 CB SER A 6 7.176 11.947 17.136 1.00 0.00 C ATOM 53 OG SER A 6 6.254 10.977 17.603 1.00 0.00 O ATOM 0 H SER A 6 5.846 12.417 15.033 1.00 0.00 H new ATOM 0 HA SER A 6 5.890 13.571 17.711 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.667 11.582 16.234 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.955 12.102 17.882 1.00 0.00 H new ATOM 0 HG SER A 6 6.726 10.137 17.783 1.00 0.00 H new ATOM 59 N GLY A 7 7.060 15.465 15.979 1.00 0.00 N ATOM 60 CA GLY A 7 7.960 16.560 15.668 1.00 0.00 C ATOM 61 C GLY A 7 8.545 16.451 14.274 1.00 0.00 C ATOM 62 O GLY A 7 8.321 17.318 13.429 1.00 0.00 O ATOM 0 H GLY A 7 6.087 15.623 15.718 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.424 17.505 15.761 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.769 16.580 16.398 1.00 0.00 H new ATOM 66 N MET A 8 9.299 15.383 14.032 1.00 0.00 N ATOM 67 CA MET A 8 9.919 15.165 12.730 1.00 0.00 C ATOM 68 C MET A 8 8.860 14.999 11.645 1.00 0.00 C ATOM 69 O MET A 8 7.815 14.390 11.873 1.00 0.00 O ATOM 70 CB MET A 8 10.821 13.930 12.772 1.00 0.00 C ATOM 71 CG MET A 8 12.221 14.217 13.290 1.00 0.00 C ATOM 72 SD MET A 8 12.987 12.776 14.057 1.00 0.00 S ATOM 73 CE MET A 8 12.100 12.709 15.612 1.00 0.00 C ATOM 0 H MET A 8 9.495 14.656 14.720 1.00 0.00 H new ATOM 0 HA MET A 8 10.524 16.040 12.492 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.357 13.173 13.404 1.00 0.00 H new ATOM 0 HB3 MET A 8 10.893 13.508 11.769 1.00 0.00 H new ATOM 0 HG2 MET A 8 12.846 14.560 12.466 1.00 0.00 H new ATOM 0 HG3 MET A 8 12.176 15.029 14.016 1.00 0.00 H new ATOM 0 HE1 MET A 8 12.637 12.066 16.310 1.00 0.00 H new ATOM 0 HE2 MET A 8 12.022 13.713 16.030 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.101 12.308 15.444 1.00 0.00 H new ATOM 83 N ALA A 9 9.137 15.545 10.466 1.00 0.00 N ATOM 84 CA ALA A 9 8.209 15.455 9.345 1.00 0.00 C ATOM 85 C ALA A 9 8.777 14.584 8.230 1.00 0.00 C ATOM 86 O ALA A 9 9.725 14.973 7.549 1.00 0.00 O ATOM 87 CB ALA A 9 7.883 16.845 8.818 1.00 0.00 C ATOM 0 H ALA A 9 9.997 16.055 10.262 1.00 0.00 H new ATOM 0 HA ALA A 9 7.291 14.988 9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.189 16.763 7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.427 17.437 9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.799 17.331 8.483 1.00 0.00 H new ATOM 93 N GLU A 10 8.191 13.404 8.050 1.00 0.00 N ATOM 94 CA GLU A 10 8.641 12.478 7.018 1.00 0.00 C ATOM 95 C GLU A 10 9.077 13.231 5.764 1.00 0.00 C ATOM 96 O GLU A 10 8.247 13.755 5.022 1.00 0.00 O ATOM 97 CB GLU A 10 7.528 11.487 6.670 1.00 0.00 C ATOM 98 CG GLU A 10 7.015 10.703 7.867 1.00 0.00 C ATOM 99 CD GLU A 10 8.110 9.915 8.560 1.00 0.00 C ATOM 100 OE1 GLU A 10 8.657 8.984 7.933 1.00 0.00 O ATOM 101 OE2 GLU A 10 8.418 10.229 9.729 1.00 0.00 O ATOM 0 H GLU A 10 7.404 13.067 8.605 1.00 0.00 H new ATOM 0 HA GLU A 10 9.498 11.929 7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.697 12.030 6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.897 10.788 5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.561 11.391 8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.231 10.019 7.540 1.00 0.00 H new ATOM 108 N SER A 11 10.386 13.280 5.536 1.00 0.00 N ATOM 109 CA SER A 11 10.933 13.972 4.375 1.00 0.00 C ATOM 110 C SER A 11 10.174 13.592 3.108 1.00 0.00 C ATOM 111 O SER A 11 9.838 14.450 2.291 1.00 0.00 O ATOM 112 CB SER A 11 12.418 13.642 4.212 1.00 0.00 C ATOM 113 OG SER A 11 12.609 12.260 3.961 1.00 0.00 O ATOM 0 H SER A 11 11.086 12.849 6.139 1.00 0.00 H new ATOM 0 HA SER A 11 10.821 15.044 4.536 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.835 14.225 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 11 12.959 13.929 5.114 1.00 0.00 H new ATOM 0 HG SER A 11 13.566 12.075 3.859 1.00 0.00 H new ATOM 119 N SER A 12 9.906 12.299 2.951 1.00 0.00 N ATOM 120 CA SER A 12 9.190 11.803 1.782 1.00 0.00 C ATOM 121 C SER A 12 7.825 12.473 1.656 1.00 0.00 C ATOM 122 O SER A 12 7.203 12.832 2.656 1.00 0.00 O ATOM 123 CB SER A 12 9.019 10.285 1.867 1.00 0.00 C ATOM 124 OG SER A 12 10.259 9.647 2.120 1.00 0.00 O ATOM 0 H SER A 12 10.174 11.576 3.619 1.00 0.00 H new ATOM 0 HA SER A 12 9.778 12.046 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.311 10.039 2.659 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.597 9.910 0.935 1.00 0.00 H new ATOM 0 HG SER A 12 10.124 8.678 2.172 1.00 0.00 H new ATOM 130 N ASP A 13 7.365 12.638 0.421 1.00 0.00 N ATOM 131 CA ASP A 13 6.073 13.264 0.163 1.00 0.00 C ATOM 132 C ASP A 13 5.246 12.423 -0.804 1.00 0.00 C ATOM 133 O ASP A 13 4.601 12.953 -1.710 1.00 0.00 O ATOM 134 CB ASP A 13 6.268 14.671 -0.403 1.00 0.00 C ATOM 135 CG ASP A 13 7.449 15.388 0.221 1.00 0.00 C ATOM 136 OD1 ASP A 13 7.420 15.621 1.448 1.00 0.00 O ATOM 137 OD2 ASP A 13 8.402 15.718 -0.516 1.00 0.00 O ATOM 0 H ASP A 13 7.867 12.347 -0.418 1.00 0.00 H new ATOM 0 HA ASP A 13 5.535 13.333 1.108 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.413 14.609 -1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.363 15.255 -0.236 1.00 0.00 H new ATOM 142 N LYS A 14 5.268 11.110 -0.607 1.00 0.00 N ATOM 143 CA LYS A 14 4.520 10.194 -1.460 1.00 0.00 C ATOM 144 C LYS A 14 3.031 10.243 -1.136 1.00 0.00 C ATOM 145 O LYS A 14 2.629 10.063 0.014 1.00 0.00 O ATOM 146 CB LYS A 14 5.043 8.766 -1.292 1.00 0.00 C ATOM 147 CG LYS A 14 6.527 8.623 -1.587 1.00 0.00 C ATOM 148 CD LYS A 14 6.778 8.322 -3.055 1.00 0.00 C ATOM 149 CE LYS A 14 8.254 8.432 -3.402 1.00 0.00 C ATOM 150 NZ LYS A 14 8.748 9.832 -3.287 1.00 0.00 N ATOM 0 H LYS A 14 5.797 10.655 0.137 1.00 0.00 H new ATOM 0 HA LYS A 14 4.659 10.505 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.850 8.435 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.484 8.103 -1.953 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.044 9.542 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.945 7.824 -0.974 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.422 7.318 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.205 9.014 -3.672 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.832 7.787 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.416 8.072 -4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.643 9.928 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.042 10.483 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.905 10.064 -2.285 1.00 0.00 H new ATOM 164 N LEU A 15 2.216 10.485 -2.157 1.00 0.00 N ATOM 165 CA LEU A 15 0.769 10.555 -1.981 1.00 0.00 C ATOM 166 C LEU A 15 0.215 9.222 -1.490 1.00 0.00 C ATOM 167 O LEU A 15 -0.631 9.181 -0.596 1.00 0.00 O ATOM 168 CB LEU A 15 0.094 10.948 -3.296 1.00 0.00 C ATOM 169 CG LEU A 15 0.081 12.442 -3.624 1.00 0.00 C ATOM 170 CD1 LEU A 15 1.330 12.828 -4.401 1.00 0.00 C ATOM 171 CD2 LEU A 15 -1.171 12.804 -4.409 1.00 0.00 C ATOM 0 H LEU A 15 2.532 10.636 -3.115 1.00 0.00 H new ATOM 0 HA LEU A 15 0.556 11.315 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.594 10.422 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.936 10.593 -3.273 1.00 0.00 H new ATOM 0 HG LEU A 15 0.073 13.001 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.304 13.894 -4.626 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.214 12.605 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.369 12.262 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.164 13.871 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.194 12.237 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.054 12.564 -3.817 1.00 0.00 H new ATOM 183 N TYR A 16 0.698 8.134 -2.079 1.00 0.00 N ATOM 184 CA TYR A 16 0.251 6.798 -1.702 1.00 0.00 C ATOM 185 C TYR A 16 1.364 6.030 -0.995 1.00 0.00 C ATOM 186 O TYR A 16 2.531 6.421 -1.043 1.00 0.00 O ATOM 187 CB TYR A 16 -0.212 6.025 -2.937 1.00 0.00 C ATOM 188 CG TYR A 16 -1.175 6.798 -3.810 1.00 0.00 C ATOM 189 CD1 TYR A 16 -2.530 6.848 -3.507 1.00 0.00 C ATOM 190 CD2 TYR A 16 -0.729 7.478 -4.936 1.00 0.00 C ATOM 191 CE1 TYR A 16 -3.413 7.553 -4.302 1.00 0.00 C ATOM 192 CE2 TYR A 16 -1.605 8.187 -5.736 1.00 0.00 C ATOM 193 CZ TYR A 16 -2.946 8.220 -5.415 1.00 0.00 C ATOM 194 OH TYR A 16 -3.823 8.925 -6.209 1.00 0.00 O ATOM 0 H TYR A 16 1.399 8.151 -2.820 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.587 6.904 -1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.660 5.748 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.688 5.098 -2.618 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.899 6.327 -2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.320 7.452 -5.191 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.464 7.582 -4.053 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.242 8.712 -6.607 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.333 9.337 -6.951 1.00 0.00 H new ATOM 204 N ARG A 17 0.994 4.935 -0.340 1.00 0.00 N ATOM 205 CA ARG A 17 1.960 4.111 0.378 1.00 0.00 C ATOM 206 C ARG A 17 1.430 2.693 0.568 1.00 0.00 C ATOM 207 O ARG A 17 0.520 2.460 1.364 1.00 0.00 O ATOM 208 CB ARG A 17 2.282 4.733 1.738 1.00 0.00 C ATOM 209 CG ARG A 17 3.512 4.138 2.404 1.00 0.00 C ATOM 210 CD ARG A 17 3.814 4.822 3.728 1.00 0.00 C ATOM 211 NE ARG A 17 5.219 4.692 4.103 1.00 0.00 N ATOM 212 CZ ARG A 17 5.653 4.740 5.358 1.00 0.00 C ATOM 213 NH1 ARG A 17 4.794 4.914 6.353 1.00 0.00 N ATOM 214 NH2 ARG A 17 6.948 4.613 5.619 1.00 0.00 N ATOM 0 H ARG A 17 0.033 4.597 -0.291 1.00 0.00 H new ATOM 0 HA ARG A 17 2.872 4.063 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.431 5.805 1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.424 4.606 2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.357 3.072 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.370 4.235 1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.554 5.878 3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.189 4.391 4.510 1.00 0.00 H new ATOM 0 HE ARG A 17 5.905 4.557 3.361 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.798 5.011 6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.129 4.951 7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.611 4.478 4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.280 4.650 6.583 1.00 0.00 H new ATOM 228 N VAL A 18 2.005 1.748 -0.169 1.00 0.00 N ATOM 229 CA VAL A 18 1.592 0.352 -0.081 1.00 0.00 C ATOM 230 C VAL A 18 2.555 -0.453 0.783 1.00 0.00 C ATOM 231 O VAL A 18 3.772 -0.312 0.669 1.00 0.00 O ATOM 232 CB VAL A 18 1.505 -0.296 -1.476 1.00 0.00 C ATOM 233 CG1 VAL A 18 2.853 -0.233 -2.178 1.00 0.00 C ATOM 234 CG2 VAL A 18 1.018 -1.733 -1.365 1.00 0.00 C ATOM 0 H VAL A 18 2.758 1.924 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 18 0.603 0.342 0.378 1.00 0.00 H new ATOM 0 HB VAL A 18 0.785 0.262 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.773 -0.695 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.157 0.808 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.597 -0.766 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.962 -2.176 -2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.713 -2.306 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.030 -1.748 -0.905 1.00 0.00 H new ATOM 244 N GLU A 19 2.002 -1.298 1.647 1.00 0.00 N ATOM 245 CA GLU A 19 2.813 -2.127 2.531 1.00 0.00 C ATOM 246 C GLU A 19 1.954 -3.170 3.240 1.00 0.00 C ATOM 247 O GLU A 19 0.726 -3.074 3.253 1.00 0.00 O ATOM 248 CB GLU A 19 3.533 -1.257 3.563 1.00 0.00 C ATOM 249 CG GLU A 19 2.617 -0.716 4.649 1.00 0.00 C ATOM 250 CD GLU A 19 3.136 0.569 5.264 1.00 0.00 C ATOM 251 OE1 GLU A 19 3.875 1.302 4.574 1.00 0.00 O ATOM 252 OE2 GLU A 19 2.804 0.841 6.437 1.00 0.00 O ATOM 0 H GLU A 19 0.996 -1.427 1.754 1.00 0.00 H new ATOM 0 HA GLU A 19 3.554 -2.645 1.922 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.327 -1.841 4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.010 -0.421 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.627 -0.539 4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.502 -1.468 5.430 1.00 0.00 H new ATOM 259 N TYR A 20 2.608 -4.166 3.827 1.00 0.00 N ATOM 260 CA TYR A 20 1.905 -5.229 4.535 1.00 0.00 C ATOM 261 C TYR A 20 1.347 -4.724 5.862 1.00 0.00 C ATOM 262 O TYR A 20 2.095 -4.470 6.806 1.00 0.00 O ATOM 263 CB TYR A 20 2.842 -6.413 4.780 1.00 0.00 C ATOM 264 CG TYR A 20 3.606 -6.845 3.550 1.00 0.00 C ATOM 265 CD1 TYR A 20 2.944 -7.137 2.363 1.00 0.00 C ATOM 266 CD2 TYR A 20 4.991 -6.963 3.573 1.00 0.00 C ATOM 267 CE1 TYR A 20 3.639 -7.533 1.236 1.00 0.00 C ATOM 268 CE2 TYR A 20 5.693 -7.357 2.451 1.00 0.00 C ATOM 269 CZ TYR A 20 5.013 -7.641 1.285 1.00 0.00 C ATOM 270 OH TYR A 20 5.709 -8.035 0.165 1.00 0.00 O ATOM 0 H TYR A 20 3.624 -4.259 3.827 1.00 0.00 H new ATOM 0 HA TYR A 20 1.072 -5.556 3.913 1.00 0.00 H new ATOM 0 HB2 TYR A 20 3.552 -6.148 5.564 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.259 -7.256 5.150 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.868 -7.053 2.321 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.527 -6.743 4.484 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.109 -7.757 0.322 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.769 -7.442 2.486 1.00 0.00 H new ATOM 0 HH TYR A 20 5.083 -8.387 -0.502 1.00 0.00 H new ATOM 280 N ALA A 21 0.027 -4.582 5.926 1.00 0.00 N ATOM 281 CA ALA A 21 -0.632 -4.110 7.137 1.00 0.00 C ATOM 282 C ALA A 21 0.106 -4.584 8.385 1.00 0.00 C ATOM 283 O ALA A 21 0.124 -5.777 8.692 1.00 0.00 O ATOM 284 CB ALA A 21 -2.079 -4.579 7.167 1.00 0.00 C ATOM 0 H ALA A 21 -0.607 -4.787 5.153 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.615 -3.020 7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.559 -4.219 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.607 -4.186 6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.109 -5.668 7.147 1.00 0.00 H new ATOM 290 N LYS A 22 0.713 -3.644 9.100 1.00 0.00 N ATOM 291 CA LYS A 22 1.453 -3.965 10.315 1.00 0.00 C ATOM 292 C LYS A 22 0.560 -4.684 11.322 1.00 0.00 C ATOM 293 O LYS A 22 0.940 -5.714 11.879 1.00 0.00 O ATOM 294 CB LYS A 22 2.023 -2.691 10.942 1.00 0.00 C ATOM 295 CG LYS A 22 3.308 -2.917 11.719 1.00 0.00 C ATOM 296 CD LYS A 22 4.246 -1.727 11.606 1.00 0.00 C ATOM 297 CE LYS A 22 5.213 -1.888 10.444 1.00 0.00 C ATOM 298 NZ LYS A 22 4.506 -1.919 9.134 1.00 0.00 N ATOM 0 H LYS A 22 0.707 -2.653 8.859 1.00 0.00 H new ATOM 0 HA LYS A 22 2.275 -4.629 10.045 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.208 -1.960 10.155 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.277 -2.259 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.073 -3.097 12.768 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.807 -3.811 11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.664 -0.815 11.473 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.806 -1.615 12.534 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.929 -1.066 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.783 -2.808 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.202 -1.876 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.957 -2.799 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.864 -1.104 9.067 1.00 0.00 H new ATOM 312 N SER A 23 -0.629 -4.134 11.550 1.00 0.00 N ATOM 313 CA SER A 23 -1.575 -4.721 12.491 1.00 0.00 C ATOM 314 C SER A 23 -3.006 -4.579 11.983 1.00 0.00 C ATOM 315 O SER A 23 -3.289 -3.755 11.114 1.00 0.00 O ATOM 316 CB SER A 23 -1.440 -4.058 13.863 1.00 0.00 C ATOM 317 OG SER A 23 -1.884 -2.712 13.824 1.00 0.00 O ATOM 0 H SER A 23 -0.960 -3.283 11.096 1.00 0.00 H new ATOM 0 HA SER A 23 -1.345 -5.782 12.584 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.021 -4.615 14.598 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.400 -4.092 14.186 1.00 0.00 H new ATOM 0 HG SER A 23 -1.789 -2.310 14.713 1.00 0.00 H new ATOM 323 N GLY A 24 -3.906 -5.389 12.532 1.00 0.00 N ATOM 324 CA GLY A 24 -5.298 -5.339 12.123 1.00 0.00 C ATOM 325 C GLY A 24 -6.042 -4.173 12.742 1.00 0.00 C ATOM 326 O GLY A 24 -7.177 -4.323 13.196 1.00 0.00 O ATOM 0 H GLY A 24 -3.696 -6.079 13.253 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.352 -5.265 11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.790 -6.270 12.404 1.00 0.00 H new ATOM 330 N ARG A 25 -5.403 -3.008 12.762 1.00 0.00 N ATOM 331 CA ARG A 25 -6.011 -1.813 13.333 1.00 0.00 C ATOM 332 C ARG A 25 -6.245 -0.755 12.259 1.00 0.00 C ATOM 333 O ARG A 25 -6.017 0.433 12.483 1.00 0.00 O ATOM 334 CB ARG A 25 -5.123 -1.242 14.441 1.00 0.00 C ATOM 335 CG ARG A 25 -5.045 -2.126 15.675 1.00 0.00 C ATOM 336 CD ARG A 25 -4.377 -1.406 16.835 1.00 0.00 C ATOM 337 NE ARG A 25 -4.218 -2.273 17.999 1.00 0.00 N ATOM 338 CZ ARG A 25 -3.689 -1.870 19.149 1.00 0.00 C ATOM 339 NH1 ARG A 25 -3.272 -0.619 19.288 1.00 0.00 N ATOM 340 NH2 ARG A 25 -3.577 -2.718 20.163 1.00 0.00 N ATOM 0 H ARG A 25 -4.464 -2.867 12.389 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.975 -2.095 13.757 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.118 -1.092 14.048 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.502 -0.262 14.730 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.049 -2.435 15.967 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.488 -3.033 15.439 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.400 -1.040 16.520 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.971 -0.534 17.111 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.530 -3.241 17.925 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.357 0.036 18.511 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.866 -0.312 20.172 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.897 -3.681 20.060 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.171 -2.407 21.045 1.00 0.00 H new ATOM 354 N ALA A 26 -6.700 -1.196 11.091 1.00 0.00 N ATOM 355 CA ALA A 26 -6.966 -0.288 9.982 1.00 0.00 C ATOM 356 C ALA A 26 -8.369 -0.499 9.424 1.00 0.00 C ATOM 357 O ALA A 26 -8.727 -1.605 9.019 1.00 0.00 O ATOM 358 CB ALA A 26 -5.926 -0.474 8.886 1.00 0.00 C ATOM 0 H ALA A 26 -6.892 -2.177 10.888 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.903 0.733 10.358 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.137 0.210 8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.934 -0.265 9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.961 -1.501 8.521 1.00 0.00 H new ATOM 364 N SER A 27 -9.160 0.569 9.406 1.00 0.00 N ATOM 365 CA SER A 27 -10.526 0.500 8.901 1.00 0.00 C ATOM 366 C SER A 27 -10.601 1.002 7.463 1.00 0.00 C ATOM 367 O SER A 27 -10.175 2.117 7.159 1.00 0.00 O ATOM 368 CB SER A 27 -11.463 1.322 9.789 1.00 0.00 C ATOM 369 OG SER A 27 -10.988 2.648 9.941 1.00 0.00 O ATOM 0 H SER A 27 -8.878 1.492 9.735 1.00 0.00 H new ATOM 0 HA SER A 27 -10.841 -0.543 8.920 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.462 1.338 9.353 1.00 0.00 H new ATOM 0 HB3 SER A 27 -11.550 0.849 10.767 1.00 0.00 H new ATOM 0 HG SER A 27 -10.590 2.952 9.098 1.00 0.00 H new ATOM 375 N CYS A 28 -11.145 0.171 6.580 1.00 0.00 N ATOM 376 CA CYS A 28 -11.275 0.528 5.172 1.00 0.00 C ATOM 377 C CYS A 28 -12.360 1.584 4.978 1.00 0.00 C ATOM 378 O CYS A 28 -13.448 1.485 5.546 1.00 0.00 O ATOM 379 CB CYS A 28 -11.600 -0.712 4.338 1.00 0.00 C ATOM 380 SG CYS A 28 -11.705 -0.397 2.547 1.00 0.00 S ATOM 0 H CYS A 28 -11.503 -0.755 6.815 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.324 0.943 4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.837 -1.469 4.519 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.548 -1.128 4.679 1.00 0.00 H new ATOM 385 N LYS A 29 -12.056 2.594 4.170 1.00 0.00 N ATOM 386 CA LYS A 29 -13.004 3.668 3.897 1.00 0.00 C ATOM 387 C LYS A 29 -13.719 3.439 2.569 1.00 0.00 C ATOM 388 O LYS A 29 -14.077 4.389 1.873 1.00 0.00 O ATOM 389 CB LYS A 29 -12.284 5.018 3.874 1.00 0.00 C ATOM 390 CG LYS A 29 -11.569 5.348 5.173 1.00 0.00 C ATOM 391 CD LYS A 29 -12.553 5.653 6.290 1.00 0.00 C ATOM 392 CE LYS A 29 -11.949 6.588 7.326 1.00 0.00 C ATOM 393 NZ LYS A 29 -12.811 6.710 8.534 1.00 0.00 N ATOM 0 H LYS A 29 -11.160 2.691 3.692 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.748 3.673 4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.560 5.020 3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.009 5.803 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.936 4.510 5.464 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.913 6.205 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.452 6.105 5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.858 4.724 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.965 6.220 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.802 7.573 6.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.364 7.356 9.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.741 7.085 8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.931 5.774 8.971 1.00 0.00 H new ATOM 407 N LYS A 30 -13.925 2.172 2.224 1.00 0.00 N ATOM 408 CA LYS A 30 -14.600 1.817 0.982 1.00 0.00 C ATOM 409 C LYS A 30 -15.692 0.782 1.232 1.00 0.00 C ATOM 410 O LYS A 30 -16.833 0.952 0.803 1.00 0.00 O ATOM 411 CB LYS A 30 -13.591 1.275 -0.034 1.00 0.00 C ATOM 412 CG LYS A 30 -14.237 0.631 -1.248 1.00 0.00 C ATOM 413 CD LYS A 30 -14.644 1.670 -2.280 1.00 0.00 C ATOM 414 CE LYS A 30 -15.900 1.249 -3.028 1.00 0.00 C ATOM 415 NZ LYS A 30 -17.107 1.299 -2.157 1.00 0.00 N ATOM 0 H LYS A 30 -13.634 1.374 2.788 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.064 2.718 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.948 2.090 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.951 0.543 0.458 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.542 -0.078 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.114 0.063 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.816 2.627 -1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.830 1.819 -2.989 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.046 1.902 -3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.772 0.237 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.688 0.452 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.814 1.331 -1.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.662 2.149 -2.382 1.00 0.00 H new ATOM 429 N CYS A 31 -15.334 -0.291 1.929 1.00 0.00 N ATOM 430 CA CYS A 31 -16.283 -1.354 2.237 1.00 0.00 C ATOM 431 C CYS A 31 -16.701 -1.302 3.704 1.00 0.00 C ATOM 432 O CYS A 31 -17.580 -2.047 4.137 1.00 0.00 O ATOM 433 CB CYS A 31 -15.672 -2.720 1.918 1.00 0.00 C ATOM 434 SG CYS A 31 -14.220 -3.141 2.934 1.00 0.00 S ATOM 0 H CYS A 31 -14.393 -0.447 2.291 1.00 0.00 H new ATOM 0 HA CYS A 31 -17.169 -1.206 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -16.433 -3.488 2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -15.385 -2.741 0.867 1.00 0.00 H new ATOM 439 N SER A 32 -16.063 -0.417 4.464 1.00 0.00 N ATOM 440 CA SER A 32 -16.365 -0.269 5.883 1.00 0.00 C ATOM 441 C SER A 32 -16.104 -1.572 6.632 1.00 0.00 C ATOM 442 O SER A 32 -16.946 -2.039 7.399 1.00 0.00 O ATOM 443 CB SER A 32 -17.822 0.159 6.074 1.00 0.00 C ATOM 444 OG SER A 32 -18.028 0.702 7.367 1.00 0.00 O ATOM 0 H SER A 32 -15.334 0.208 4.121 1.00 0.00 H new ATOM 0 HA SER A 32 -15.711 0.502 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.089 0.898 5.319 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.479 -0.699 5.927 1.00 0.00 H new ATOM 0 HG SER A 32 -17.765 0.044 8.044 1.00 0.00 H new ATOM 450 N GLU A 33 -14.931 -2.154 6.404 1.00 0.00 N ATOM 451 CA GLU A 33 -14.559 -3.404 7.057 1.00 0.00 C ATOM 452 C GLU A 33 -13.218 -3.266 7.772 1.00 0.00 C ATOM 453 O GLU A 33 -12.531 -2.253 7.635 1.00 0.00 O ATOM 454 CB GLU A 33 -14.489 -4.539 6.033 1.00 0.00 C ATOM 455 CG GLU A 33 -15.793 -4.767 5.288 1.00 0.00 C ATOM 456 CD GLU A 33 -16.780 -5.601 6.083 1.00 0.00 C ATOM 457 OE1 GLU A 33 -17.430 -5.042 6.992 1.00 0.00 O ATOM 458 OE2 GLU A 33 -16.903 -6.810 5.796 1.00 0.00 O ATOM 0 H GLU A 33 -14.222 -1.780 5.773 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.324 -3.639 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.702 -4.318 5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.206 -5.460 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.245 -3.804 5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.584 -5.263 4.340 1.00 0.00 H new ATOM 465 N SER A 34 -12.852 -4.291 8.534 1.00 0.00 N ATOM 466 CA SER A 34 -11.596 -4.283 9.275 1.00 0.00 C ATOM 467 C SER A 34 -10.488 -4.957 8.471 1.00 0.00 C ATOM 468 O SER A 34 -10.555 -6.153 8.183 1.00 0.00 O ATOM 469 CB SER A 34 -11.768 -4.990 10.621 1.00 0.00 C ATOM 470 OG SER A 34 -12.036 -6.370 10.441 1.00 0.00 O ATOM 0 H SER A 34 -13.407 -5.138 8.655 1.00 0.00 H new ATOM 0 HA SER A 34 -11.313 -3.245 9.452 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.865 -4.867 11.218 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.583 -4.527 11.177 1.00 0.00 H new ATOM 0 HG SER A 34 -11.606 -6.682 9.617 1.00 0.00 H new ATOM 476 N ILE A 35 -9.470 -4.182 8.113 1.00 0.00 N ATOM 477 CA ILE A 35 -8.346 -4.704 7.344 1.00 0.00 C ATOM 478 C ILE A 35 -7.522 -5.684 8.172 1.00 0.00 C ATOM 479 O ILE A 35 -7.095 -5.387 9.288 1.00 0.00 O ATOM 480 CB ILE A 35 -7.430 -3.571 6.847 1.00 0.00 C ATOM 481 CG1 ILE A 35 -8.206 -2.622 5.931 1.00 0.00 C ATOM 482 CG2 ILE A 35 -6.222 -4.146 6.123 1.00 0.00 C ATOM 483 CD1 ILE A 35 -7.591 -1.244 5.827 1.00 0.00 C ATOM 0 H ILE A 35 -9.400 -3.191 8.343 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.766 -5.224 6.483 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.077 -3.005 7.709 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.266 -3.060 4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.227 -2.528 6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.584 -3.333 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.659 -4.784 6.804 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.556 -4.733 5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.194 -0.626 5.162 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.556 -0.786 6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.580 -1.326 5.429 1.00 0.00 H new ATOM 495 N PRO A 36 -7.288 -6.880 7.613 1.00 0.00 N ATOM 496 CA PRO A 36 -6.510 -7.928 8.281 1.00 0.00 C ATOM 497 C PRO A 36 -5.030 -7.577 8.380 1.00 0.00 C ATOM 498 O PRO A 36 -4.535 -6.715 7.653 1.00 0.00 O ATOM 499 CB PRO A 36 -6.711 -9.148 7.379 1.00 0.00 C ATOM 500 CG PRO A 36 -7.014 -8.581 6.035 1.00 0.00 C ATOM 501 CD PRO A 36 -7.766 -7.303 6.286 1.00 0.00 C ATOM 0 HA PRO A 36 -6.834 -8.083 9.310 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.818 -9.772 7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.528 -9.775 7.737 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.098 -8.392 5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.611 -9.276 5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.551 -6.554 5.524 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.844 -7.463 6.280 1.00 0.00 H new ATOM 509 N LYS A 37 -4.326 -8.249 9.285 1.00 0.00 N ATOM 510 CA LYS A 37 -2.901 -8.009 9.479 1.00 0.00 C ATOM 511 C LYS A 37 -2.072 -8.859 8.522 1.00 0.00 C ATOM 512 O LYS A 37 -2.481 -9.953 8.134 1.00 0.00 O ATOM 513 CB LYS A 37 -2.504 -8.316 10.925 1.00 0.00 C ATOM 514 CG LYS A 37 -1.010 -8.214 11.180 1.00 0.00 C ATOM 515 CD LYS A 37 -0.606 -8.963 12.438 1.00 0.00 C ATOM 516 CE LYS A 37 -0.450 -10.453 12.174 1.00 0.00 C ATOM 517 NZ LYS A 37 -0.303 -11.228 13.437 1.00 0.00 N ATOM 0 H LYS A 37 -4.720 -8.965 9.896 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.702 -6.958 9.269 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.025 -7.628 11.590 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.840 -9.321 11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.466 -8.616 10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.727 -7.166 11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.333 -8.559 12.817 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.356 -8.806 13.213 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.318 -10.817 11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.422 -10.620 11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.199 -12.239 13.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.539 -10.898 13.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.146 -11.089 14.030 1.00 0.00 H new ATOM 531 N ASP A 38 -0.904 -8.348 8.145 1.00 0.00 N ATOM 532 CA ASP A 38 -0.016 -9.061 7.235 1.00 0.00 C ATOM 533 C ASP A 38 -0.661 -9.225 5.863 1.00 0.00 C ATOM 534 O ASP A 38 -0.573 -10.287 5.247 1.00 0.00 O ATOM 535 CB ASP A 38 0.345 -10.432 7.810 1.00 0.00 C ATOM 536 CG ASP A 38 1.312 -11.194 6.926 1.00 0.00 C ATOM 537 OD1 ASP A 38 2.456 -10.724 6.755 1.00 0.00 O ATOM 538 OD2 ASP A 38 0.925 -12.261 6.404 1.00 0.00 O ATOM 0 H ASP A 38 -0.551 -7.443 8.456 1.00 0.00 H new ATOM 0 HA ASP A 38 0.894 -8.473 7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.785 -10.304 8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.564 -11.019 7.940 1.00 0.00 H new ATOM 543 N SER A 39 -1.311 -8.166 5.390 1.00 0.00 N ATOM 544 CA SER A 39 -1.976 -8.194 4.092 1.00 0.00 C ATOM 545 C SER A 39 -1.542 -7.010 3.234 1.00 0.00 C ATOM 546 O SER A 39 -1.065 -5.997 3.748 1.00 0.00 O ATOM 547 CB SER A 39 -3.495 -8.178 4.274 1.00 0.00 C ATOM 548 OG SER A 39 -3.962 -6.869 4.546 1.00 0.00 O ATOM 0 H SER A 39 -1.391 -7.278 5.886 1.00 0.00 H new ATOM 0 HA SER A 39 -1.688 -9.114 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.976 -8.559 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.774 -8.844 5.091 1.00 0.00 H new ATOM 0 HG SER A 39 -4.168 -6.787 5.501 1.00 0.00 H new ATOM 554 N LEU A 40 -1.712 -7.144 1.923 1.00 0.00 N ATOM 555 CA LEU A 40 -1.338 -6.085 0.992 1.00 0.00 C ATOM 556 C LEU A 40 -2.421 -5.012 0.924 1.00 0.00 C ATOM 557 O LEU A 40 -3.541 -5.274 0.485 1.00 0.00 O ATOM 558 CB LEU A 40 -1.094 -6.668 -0.402 1.00 0.00 C ATOM 559 CG LEU A 40 -0.543 -5.698 -1.448 1.00 0.00 C ATOM 560 CD1 LEU A 40 0.841 -5.211 -1.047 1.00 0.00 C ATOM 561 CD2 LEU A 40 -0.502 -6.358 -2.818 1.00 0.00 C ATOM 0 H LEU A 40 -2.106 -7.975 1.481 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.418 -5.625 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.400 -7.503 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.034 -7.076 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.208 -4.836 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.217 -4.522 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.782 -4.699 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.516 -6.062 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.107 -5.653 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.140 -7.238 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.509 -6.656 -3.108 1.00 0.00 H new ATOM 573 N ARG A 41 -2.078 -3.804 1.359 1.00 0.00 N ATOM 574 CA ARG A 41 -3.020 -2.692 1.347 1.00 0.00 C ATOM 575 C ARG A 41 -2.353 -1.421 0.828 1.00 0.00 C ATOM 576 O ARG A 41 -1.128 -1.341 0.743 1.00 0.00 O ATOM 577 CB ARG A 41 -3.576 -2.452 2.752 1.00 0.00 C ATOM 578 CG ARG A 41 -2.566 -1.844 3.711 1.00 0.00 C ATOM 579 CD ARG A 41 -3.182 -1.582 5.077 1.00 0.00 C ATOM 580 NE ARG A 41 -2.255 -0.896 5.973 1.00 0.00 N ATOM 581 CZ ARG A 41 -2.367 -0.910 7.296 1.00 0.00 C ATOM 582 NH1 ARG A 41 -3.360 -1.571 7.874 1.00 0.00 N ATOM 583 NH2 ARG A 41 -1.484 -0.261 8.045 1.00 0.00 N ATOM 0 H ARG A 41 -1.155 -3.571 1.724 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.841 -2.950 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.441 -1.793 2.683 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.928 -3.399 3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.714 -2.515 3.818 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.186 -0.910 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.084 -0.981 4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.486 -2.528 5.525 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.479 -0.378 5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.041 -2.071 7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.443 -1.580 8.891 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.719 0.249 7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.571 -0.272 9.061 1.00 0.00 H new ATOM 597 N MET A 42 -3.169 -0.430 0.483 1.00 0.00 N ATOM 598 CA MET A 42 -2.658 0.837 -0.027 1.00 0.00 C ATOM 599 C MET A 42 -3.019 1.985 0.910 1.00 0.00 C ATOM 600 O MET A 42 -3.814 1.817 1.835 1.00 0.00 O ATOM 601 CB MET A 42 -3.215 1.110 -1.426 1.00 0.00 C ATOM 602 CG MET A 42 -2.378 0.506 -2.542 1.00 0.00 C ATOM 603 SD MET A 42 -1.120 1.641 -3.158 1.00 0.00 S ATOM 604 CE MET A 42 -0.996 1.115 -4.865 1.00 0.00 C ATOM 0 H MET A 42 -4.186 -0.480 0.547 1.00 0.00 H new ATOM 0 HA MET A 42 -1.572 0.766 -0.084 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.229 0.714 -1.488 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.284 2.187 -1.577 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.896 -0.402 -2.179 1.00 0.00 H new ATOM 0 HG3 MET A 42 -3.032 0.213 -3.364 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.022 0.785 -5.071 1.00 0.00 H new ATOM 0 HE2 MET A 42 -1.687 0.291 -5.043 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.247 1.948 -5.522 1.00 0.00 H new ATOM 614 N ALA A 43 -2.430 3.151 0.664 1.00 0.00 N ATOM 615 CA ALA A 43 -2.692 4.327 1.485 1.00 0.00 C ATOM 616 C ALA A 43 -2.876 5.570 0.621 1.00 0.00 C ATOM 617 O ALA A 43 -2.340 5.653 -0.485 1.00 0.00 O ATOM 618 CB ALA A 43 -1.561 4.537 2.481 1.00 0.00 C ATOM 0 H ALA A 43 -1.769 3.306 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.619 4.158 2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.769 5.418 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.478 3.663 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.624 4.680 1.943 1.00 0.00 H new ATOM 624 N ILE A 44 -3.636 6.532 1.132 1.00 0.00 N ATOM 625 CA ILE A 44 -3.890 7.771 0.406 1.00 0.00 C ATOM 626 C ILE A 44 -3.755 8.982 1.322 1.00 0.00 C ATOM 627 O ILE A 44 -4.254 8.980 2.447 1.00 0.00 O ATOM 628 CB ILE A 44 -5.293 7.774 -0.229 1.00 0.00 C ATOM 629 CG1 ILE A 44 -5.447 6.590 -1.185 1.00 0.00 C ATOM 630 CG2 ILE A 44 -5.542 9.086 -0.958 1.00 0.00 C ATOM 631 CD1 ILE A 44 -6.870 6.367 -1.647 1.00 0.00 C ATOM 0 H ILE A 44 -4.087 6.478 2.045 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.143 7.832 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.034 7.675 0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.812 6.752 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.088 5.687 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.538 9.073 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.470 9.914 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.797 9.213 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.904 5.512 -2.322 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.507 6.173 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.227 7.255 -2.169 1.00 0.00 H new ATOM 643 N MET A 45 -3.080 10.016 0.832 1.00 0.00 N ATOM 644 CA MET A 45 -2.883 11.236 1.606 1.00 0.00 C ATOM 645 C MET A 45 -3.973 12.258 1.297 1.00 0.00 C ATOM 646 O MET A 45 -3.944 12.916 0.257 1.00 0.00 O ATOM 647 CB MET A 45 -1.507 11.836 1.310 1.00 0.00 C ATOM 648 CG MET A 45 -0.372 11.148 2.051 1.00 0.00 C ATOM 649 SD MET A 45 -0.038 11.892 3.659 1.00 0.00 S ATOM 650 CE MET A 45 -1.434 11.290 4.606 1.00 0.00 C ATOM 0 H MET A 45 -2.660 10.034 -0.097 1.00 0.00 H new ATOM 0 HA MET A 45 -2.940 10.979 2.664 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.318 11.779 0.238 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.516 12.893 1.576 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.618 10.095 2.187 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.531 11.188 1.442 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.186 11.302 5.667 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.298 11.931 4.428 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.669 10.271 4.300 1.00 0.00 H new ATOM 660 N VAL A 46 -4.933 12.385 2.208 1.00 0.00 N ATOM 661 CA VAL A 46 -6.032 13.327 2.033 1.00 0.00 C ATOM 662 C VAL A 46 -6.042 14.372 3.143 1.00 0.00 C ATOM 663 O VAL A 46 -5.311 14.253 4.127 1.00 0.00 O ATOM 664 CB VAL A 46 -7.392 12.605 2.011 1.00 0.00 C ATOM 665 CG1 VAL A 46 -7.537 11.778 0.742 1.00 0.00 C ATOM 666 CG2 VAL A 46 -7.552 11.732 3.247 1.00 0.00 C ATOM 0 H VAL A 46 -4.972 11.848 3.074 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.876 13.821 1.074 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.182 13.356 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.504 11.275 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.470 12.431 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.741 11.034 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.519 11.229 3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.756 10.987 3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.496 12.353 4.141 1.00 0.00 H new ATOM 676 N GLN A 47 -6.875 15.395 2.979 1.00 0.00 N ATOM 677 CA GLN A 47 -6.979 16.461 3.968 1.00 0.00 C ATOM 678 C GLN A 47 -8.147 16.211 4.916 1.00 0.00 C ATOM 679 O GLN A 47 -9.279 16.002 4.481 1.00 0.00 O ATOM 680 CB GLN A 47 -7.151 17.813 3.274 1.00 0.00 C ATOM 681 CG GLN A 47 -7.135 18.994 4.231 1.00 0.00 C ATOM 682 CD GLN A 47 -8.496 19.271 4.839 1.00 0.00 C ATOM 683 OE1 GLN A 47 -9.472 18.578 4.547 1.00 0.00 O ATOM 684 NE2 GLN A 47 -8.570 20.288 5.690 1.00 0.00 N ATOM 0 H GLN A 47 -7.487 15.508 2.171 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.058 16.474 4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.355 17.939 2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.093 17.813 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.418 18.801 5.029 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -6.791 19.882 3.701 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.737 20.836 5.904 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.460 20.521 6.130 1.00 0.00 H new ATOM 693 N SER A 48 -7.864 16.234 6.215 1.00 0.00 N ATOM 694 CA SER A 48 -8.890 16.006 7.225 1.00 0.00 C ATOM 695 C SER A 48 -9.753 17.250 7.414 1.00 0.00 C ATOM 696 O SER A 48 -9.254 18.363 7.578 1.00 0.00 O ATOM 697 CB SER A 48 -8.246 15.611 8.556 1.00 0.00 C ATOM 698 OG SER A 48 -9.229 15.237 9.506 1.00 0.00 O ATOM 0 H SER A 48 -6.932 16.408 6.592 1.00 0.00 H new ATOM 0 HA SER A 48 -9.528 15.192 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.555 14.783 8.398 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.661 16.445 8.942 1.00 0.00 H new ATOM 0 HG SER A 48 -8.840 15.259 10.405 1.00 0.00 H new ATOM 704 N PRO A 49 -11.080 17.057 7.390 1.00 0.00 N ATOM 705 CA PRO A 49 -12.041 18.151 7.557 1.00 0.00 C ATOM 706 C PRO A 49 -12.048 18.705 8.978 1.00 0.00 C ATOM 707 O PRO A 49 -12.584 19.783 9.231 1.00 0.00 O ATOM 708 CB PRO A 49 -13.385 17.494 7.233 1.00 0.00 C ATOM 709 CG PRO A 49 -13.182 16.048 7.528 1.00 0.00 C ATOM 710 CD PRO A 49 -11.744 15.757 7.199 1.00 0.00 C ATOM 0 HA PRO A 49 -11.803 19.004 6.921 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.187 17.913 7.841 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.661 17.650 6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.395 15.829 8.574 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.852 15.430 6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.328 14.993 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.631 15.394 6.177 1.00 0.00 H new ATOM 718 N MET A 50 -11.450 17.959 9.902 1.00 0.00 N ATOM 719 CA MET A 50 -11.386 18.378 11.297 1.00 0.00 C ATOM 720 C MET A 50 -10.286 19.414 11.505 1.00 0.00 C ATOM 721 O MET A 50 -10.528 20.489 12.053 1.00 0.00 O ATOM 722 CB MET A 50 -11.142 17.169 12.203 1.00 0.00 C ATOM 723 CG MET A 50 -12.411 16.415 12.565 1.00 0.00 C ATOM 724 SD MET A 50 -13.642 17.467 13.358 1.00 0.00 S ATOM 725 CE MET A 50 -13.269 17.183 15.086 1.00 0.00 C ATOM 0 H MET A 50 -11.003 17.062 9.710 1.00 0.00 H new ATOM 0 HA MET A 50 -12.342 18.833 11.558 1.00 0.00 H new ATOM 0 HB2 MET A 50 -10.453 16.486 11.706 1.00 0.00 H new ATOM 0 HB3 MET A 50 -10.654 17.504 13.119 1.00 0.00 H new ATOM 0 HG2 MET A 50 -12.839 15.978 11.663 1.00 0.00 H new ATOM 0 HG3 MET A 50 -12.161 15.589 13.231 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.949 17.767 15.706 1.00 0.00 H new ATOM 0 HE2 MET A 50 -13.389 16.124 15.315 1.00 0.00 H new ATOM 0 HE3 MET A 50 -12.242 17.484 15.291 1.00 0.00 H new ATOM 735 N PHE A 51 -9.077 19.084 11.063 1.00 0.00 N ATOM 736 CA PHE A 51 -7.940 19.986 11.202 1.00 0.00 C ATOM 737 C PHE A 51 -7.318 20.289 9.842 1.00 0.00 C ATOM 738 O PHE A 51 -7.593 19.606 8.855 1.00 0.00 O ATOM 739 CB PHE A 51 -6.889 19.376 12.131 1.00 0.00 C ATOM 740 CG PHE A 51 -6.525 17.962 11.780 1.00 0.00 C ATOM 741 CD1 PHE A 51 -7.253 16.898 12.289 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.455 17.696 10.941 1.00 0.00 C ATOM 743 CE1 PHE A 51 -6.922 15.596 11.967 1.00 0.00 C ATOM 744 CE2 PHE A 51 -5.119 16.395 10.615 1.00 0.00 C ATOM 745 CZ PHE A 51 -5.853 15.344 11.130 1.00 0.00 C ATOM 0 H PHE A 51 -8.860 18.199 10.606 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.299 20.920 11.635 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.990 19.992 12.103 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.262 19.403 13.155 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -8.089 17.089 12.945 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.877 18.514 10.537 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.499 14.776 12.369 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.284 16.201 9.959 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.591 14.327 10.878 1.00 0.00 H new ATOM 755 N ASP A 52 -6.479 21.318 9.798 1.00 0.00 N ATOM 756 CA ASP A 52 -5.816 21.713 8.561 1.00 0.00 C ATOM 757 C ASP A 52 -4.634 20.797 8.261 1.00 0.00 C ATOM 758 O ASP A 52 -3.552 21.260 7.903 1.00 0.00 O ATOM 759 CB ASP A 52 -5.342 23.165 8.651 1.00 0.00 C ATOM 760 CG ASP A 52 -6.495 24.148 8.697 1.00 0.00 C ATOM 761 OD1 ASP A 52 -7.251 24.222 7.706 1.00 0.00 O ATOM 762 OD2 ASP A 52 -6.641 24.845 9.723 1.00 0.00 O ATOM 0 H ASP A 52 -6.242 21.894 10.606 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.537 21.624 7.748 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.727 23.289 9.542 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.709 23.392 7.793 1.00 0.00 H new ATOM 767 N GLY A 53 -4.849 19.493 8.410 1.00 0.00 N ATOM 768 CA GLY A 53 -3.792 18.533 8.153 1.00 0.00 C ATOM 769 C GLY A 53 -4.230 17.427 7.213 1.00 0.00 C ATOM 770 O GLY A 53 -5.229 17.562 6.505 1.00 0.00 O ATOM 0 H GLY A 53 -5.736 19.085 8.704 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.932 19.049 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.465 18.096 9.096 1.00 0.00 H new ATOM 774 N LYS A 54 -3.481 16.330 7.202 1.00 0.00 N ATOM 775 CA LYS A 54 -3.796 15.196 6.342 1.00 0.00 C ATOM 776 C LYS A 54 -3.731 13.887 7.122 1.00 0.00 C ATOM 777 O LYS A 54 -2.903 13.727 8.019 1.00 0.00 O ATOM 778 CB LYS A 54 -2.828 15.144 5.157 1.00 0.00 C ATOM 779 CG LYS A 54 -3.101 16.203 4.102 1.00 0.00 C ATOM 780 CD LYS A 54 -2.408 15.875 2.791 1.00 0.00 C ATOM 781 CE LYS A 54 -2.411 17.066 1.845 1.00 0.00 C ATOM 782 NZ LYS A 54 -3.732 17.244 1.181 1.00 0.00 N ATOM 0 H LYS A 54 -2.650 16.202 7.780 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.812 15.326 5.969 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.809 15.264 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.886 14.159 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.175 16.284 3.936 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.760 17.173 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.381 15.568 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.907 15.030 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.158 17.970 2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.639 16.930 1.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.596 17.686 0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.188 16.317 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.336 17.854 1.768 1.00 0.00 H new ATOM 796 N VAL A 55 -4.609 12.951 6.773 1.00 0.00 N ATOM 797 CA VAL A 55 -4.649 11.655 7.439 1.00 0.00 C ATOM 798 C VAL A 55 -4.538 10.516 6.432 1.00 0.00 C ATOM 799 O VAL A 55 -5.140 10.543 5.358 1.00 0.00 O ATOM 800 CB VAL A 55 -5.946 11.482 8.252 1.00 0.00 C ATOM 801 CG1 VAL A 55 -6.000 12.487 9.392 1.00 0.00 C ATOM 802 CG2 VAL A 55 -7.163 11.621 7.349 1.00 0.00 C ATOM 0 H VAL A 55 -5.302 13.067 6.033 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.796 11.621 8.117 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.954 10.481 8.682 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.923 12.349 9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.146 12.334 10.052 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.969 13.499 8.987 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.071 11.496 7.940 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.163 12.609 6.888 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.128 10.858 6.571 1.00 0.00 H new ATOM 812 N PRO A 56 -3.750 9.489 6.784 1.00 0.00 N ATOM 813 CA PRO A 56 -3.542 8.320 5.925 1.00 0.00 C ATOM 814 C PRO A 56 -4.790 7.452 5.815 1.00 0.00 C ATOM 815 O PRO A 56 -5.327 6.988 6.822 1.00 0.00 O ATOM 816 CB PRO A 56 -2.419 7.556 6.632 1.00 0.00 C ATOM 817 CG PRO A 56 -2.524 7.965 8.061 1.00 0.00 C ATOM 818 CD PRO A 56 -3.002 9.391 8.049 1.00 0.00 C ATOM 0 HA PRO A 56 -3.303 8.604 4.900 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.541 6.479 6.519 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.444 7.812 6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.222 7.324 8.600 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.560 7.881 8.563 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.636 9.610 8.909 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.170 10.094 8.079 1.00 0.00 H new ATOM 826 N HIS A 57 -5.248 7.234 4.586 1.00 0.00 N ATOM 827 CA HIS A 57 -6.433 6.419 4.345 1.00 0.00 C ATOM 828 C HIS A 57 -6.049 5.055 3.781 1.00 0.00 C ATOM 829 O HIS A 57 -5.553 4.954 2.659 1.00 0.00 O ATOM 830 CB HIS A 57 -7.382 7.134 3.382 1.00 0.00 C ATOM 831 CG HIS A 57 -8.281 8.126 4.052 1.00 0.00 C ATOM 832 ND1 HIS A 57 -9.516 8.482 3.552 1.00 0.00 N ATOM 833 CD2 HIS A 57 -8.120 8.838 5.192 1.00 0.00 C ATOM 834 CE1 HIS A 57 -10.074 9.371 4.354 1.00 0.00 C ATOM 835 NE2 HIS A 57 -9.248 9.604 5.357 1.00 0.00 N ATOM 0 H HIS A 57 -4.816 7.610 3.742 1.00 0.00 H new ATOM 0 HA HIS A 57 -6.940 6.268 5.298 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -6.795 7.646 2.619 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.993 6.391 2.869 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.264 8.809 5.850 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.042 9.829 4.213 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.420 10.248 6.129 1.00 0.00 H new ATOM 843 N TRP A 58 -6.282 4.009 4.566 1.00 0.00 N ATOM 844 CA TRP A 58 -5.959 2.651 4.144 1.00 0.00 C ATOM 845 C TRP A 58 -7.107 2.041 3.347 1.00 0.00 C ATOM 846 O TRP A 58 -8.264 2.096 3.765 1.00 0.00 O ATOM 847 CB TRP A 58 -5.647 1.778 5.360 1.00 0.00 C ATOM 848 CG TRP A 58 -4.547 2.326 6.218 1.00 0.00 C ATOM 849 CD1 TRP A 58 -4.677 2.902 7.450 1.00 0.00 C ATOM 850 CD2 TRP A 58 -3.149 2.352 5.907 1.00 0.00 C ATOM 851 NE1 TRP A 58 -3.445 3.284 7.923 1.00 0.00 N ATOM 852 CE2 TRP A 58 -2.492 2.957 6.996 1.00 0.00 C ATOM 853 CE3 TRP A 58 -2.390 1.922 4.816 1.00 0.00 C ATOM 854 CZ2 TRP A 58 -1.112 3.142 7.022 1.00 0.00 C ATOM 855 CZ3 TRP A 58 -1.021 2.106 4.844 1.00 0.00 C ATOM 856 CH2 TRP A 58 -0.393 2.711 5.941 1.00 0.00 C ATOM 0 H TRP A 58 -6.693 4.075 5.497 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.079 2.696 3.502 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.549 1.671 5.963 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.370 0.780 5.020 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -5.611 3.037 7.975 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.269 3.738 8.819 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -2.865 1.454 3.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.626 3.609 7.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.424 1.778 4.006 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.679 2.839 5.933 1.00 0.00 H new ATOM 867 N TYR A 59 -6.781 1.461 2.197 1.00 0.00 N ATOM 868 CA TYR A 59 -7.786 0.843 1.341 1.00 0.00 C ATOM 869 C TYR A 59 -7.342 -0.548 0.896 1.00 0.00 C ATOM 870 O TYR A 59 -6.202 -0.743 0.474 1.00 0.00 O ATOM 871 CB TYR A 59 -8.052 1.721 0.117 1.00 0.00 C ATOM 872 CG TYR A 59 -8.881 2.948 0.421 1.00 0.00 C ATOM 873 CD1 TYR A 59 -10.262 2.862 0.556 1.00 0.00 C ATOM 874 CD2 TYR A 59 -8.284 4.193 0.574 1.00 0.00 C ATOM 875 CE1 TYR A 59 -11.023 3.981 0.833 1.00 0.00 C ATOM 876 CE2 TYR A 59 -9.038 5.317 0.853 1.00 0.00 C ATOM 877 CZ TYR A 59 -10.406 5.206 0.980 1.00 0.00 C ATOM 878 OH TYR A 59 -11.161 6.323 1.258 1.00 0.00 O ATOM 0 H TYR A 59 -5.828 1.406 1.836 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.706 0.744 1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.099 2.033 -0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.562 1.127 -0.642 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.748 1.904 0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.213 4.284 0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.095 3.897 0.934 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.558 6.277 0.971 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.108 6.075 1.302 1.00 0.00 H new ATOM 888 N HIS A 60 -8.253 -1.511 0.994 1.00 0.00 N ATOM 889 CA HIS A 60 -7.957 -2.885 0.602 1.00 0.00 C ATOM 890 C HIS A 60 -7.323 -2.929 -0.785 1.00 0.00 C ATOM 891 O HIS A 60 -7.618 -2.094 -1.641 1.00 0.00 O ATOM 892 CB HIS A 60 -9.233 -3.728 0.619 1.00 0.00 C ATOM 893 CG HIS A 60 -9.633 -4.181 1.989 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.798 -3.776 2.605 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.016 -5.011 2.862 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.879 -4.336 3.799 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.810 -5.090 3.979 1.00 0.00 N ATOM 0 H HIS A 60 -9.201 -1.366 1.341 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.248 -3.297 1.320 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.047 -3.148 0.185 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -9.090 -4.602 -0.016 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.074 -5.517 2.708 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.683 -4.200 4.507 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.607 -5.642 4.813 1.00 0.00 H new ATOM 905 N PHE A 61 -6.450 -3.907 -1.000 1.00 0.00 N ATOM 906 CA PHE A 61 -5.772 -4.059 -2.283 1.00 0.00 C ATOM 907 C PHE A 61 -6.743 -3.844 -3.440 1.00 0.00 C ATOM 908 O PHE A 61 -6.366 -3.334 -4.495 1.00 0.00 O ATOM 909 CB PHE A 61 -5.136 -5.447 -2.386 1.00 0.00 C ATOM 910 CG PHE A 61 -4.341 -5.649 -3.644 1.00 0.00 C ATOM 911 CD1 PHE A 61 -3.323 -4.773 -3.985 1.00 0.00 C ATOM 912 CD2 PHE A 61 -4.611 -6.716 -4.486 1.00 0.00 C ATOM 913 CE1 PHE A 61 -2.589 -4.956 -5.141 1.00 0.00 C ATOM 914 CE2 PHE A 61 -3.880 -6.905 -5.644 1.00 0.00 C ATOM 915 CZ PHE A 61 -2.869 -6.023 -5.973 1.00 0.00 C ATOM 0 H PHE A 61 -6.195 -4.606 -0.303 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.989 -3.303 -2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.486 -5.605 -1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.920 -6.202 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.101 -3.937 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.401 -7.408 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.798 -4.266 -5.394 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.099 -7.742 -6.291 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.299 -6.167 -6.879 1.00 0.00 H new ATOM 925 N SER A 62 -7.996 -4.238 -3.234 1.00 0.00 N ATOM 926 CA SER A 62 -9.021 -4.093 -4.261 1.00 0.00 C ATOM 927 C SER A 62 -9.776 -2.778 -4.092 1.00 0.00 C ATOM 928 O SER A 62 -9.872 -1.980 -5.025 1.00 0.00 O ATOM 929 CB SER A 62 -10.000 -5.267 -4.203 1.00 0.00 C ATOM 930 OG SER A 62 -10.613 -5.358 -2.928 1.00 0.00 O ATOM 0 H SER A 62 -8.325 -4.660 -2.366 1.00 0.00 H new ATOM 0 HA SER A 62 -8.529 -4.087 -5.233 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.765 -5.145 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.473 -6.195 -4.424 1.00 0.00 H new ATOM 0 HG SER A 62 -11.235 -6.115 -2.917 1.00 0.00 H new ATOM 936 N CYS A 63 -10.311 -2.559 -2.896 1.00 0.00 N ATOM 937 CA CYS A 63 -11.059 -1.342 -2.603 1.00 0.00 C ATOM 938 C CYS A 63 -10.320 -0.112 -3.122 1.00 0.00 C ATOM 939 O CYS A 63 -10.890 0.710 -3.841 1.00 0.00 O ATOM 940 CB CYS A 63 -11.292 -1.212 -1.097 1.00 0.00 C ATOM 941 SG CYS A 63 -12.461 -2.434 -0.417 1.00 0.00 S ATOM 0 H CYS A 63 -10.241 -3.209 -2.113 1.00 0.00 H new ATOM 0 HA CYS A 63 -12.022 -1.406 -3.109 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.337 -1.313 -0.582 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.665 -0.210 -0.883 1.00 0.00 H new ATOM 946 N PHE A 64 -9.049 0.008 -2.754 1.00 0.00 N ATOM 947 CA PHE A 64 -8.232 1.137 -3.182 1.00 0.00 C ATOM 948 C PHE A 64 -8.487 1.468 -4.650 1.00 0.00 C ATOM 949 O PHE A 64 -8.455 2.632 -5.049 1.00 0.00 O ATOM 950 CB PHE A 64 -6.749 0.832 -2.967 1.00 0.00 C ATOM 951 CG PHE A 64 -5.832 1.870 -3.547 1.00 0.00 C ATOM 952 CD1 PHE A 64 -5.970 3.205 -3.204 1.00 0.00 C ATOM 953 CD2 PHE A 64 -4.832 1.511 -4.437 1.00 0.00 C ATOM 954 CE1 PHE A 64 -5.128 4.164 -3.736 1.00 0.00 C ATOM 955 CE2 PHE A 64 -3.987 2.465 -4.972 1.00 0.00 C ATOM 956 CZ PHE A 64 -4.136 3.793 -4.622 1.00 0.00 C ATOM 0 H PHE A 64 -8.562 -0.663 -2.160 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.509 2.002 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.556 0.745 -1.898 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.517 -0.135 -3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.745 3.500 -2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.712 0.474 -4.716 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.246 5.201 -3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.211 2.172 -5.663 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.478 4.540 -5.041 1.00 0.00 H new ATOM 966 N TRP A 65 -8.739 0.436 -5.447 1.00 0.00 N ATOM 967 CA TRP A 65 -8.999 0.617 -6.871 1.00 0.00 C ATOM 968 C TRP A 65 -10.470 0.930 -7.120 1.00 0.00 C ATOM 969 O TRP A 65 -10.809 1.681 -8.035 1.00 0.00 O ATOM 970 CB TRP A 65 -8.593 -0.637 -7.647 1.00 0.00 C ATOM 971 CG TRP A 65 -7.164 -1.033 -7.432 1.00 0.00 C ATOM 972 CD1 TRP A 65 -6.710 -2.170 -6.827 1.00 0.00 C ATOM 973 CD2 TRP A 65 -6.002 -0.291 -7.818 1.00 0.00 C ATOM 974 NE1 TRP A 65 -5.336 -2.180 -6.814 1.00 0.00 N ATOM 975 CE2 TRP A 65 -4.877 -1.038 -7.417 1.00 0.00 C ATOM 976 CE3 TRP A 65 -5.802 0.931 -8.466 1.00 0.00 C ATOM 977 CZ2 TRP A 65 -3.575 -0.602 -7.642 1.00 0.00 C ATOM 978 CZ3 TRP A 65 -4.508 1.363 -8.688 1.00 0.00 C ATOM 979 CH2 TRP A 65 -3.408 0.598 -8.278 1.00 0.00 C ATOM 0 H TRP A 65 -8.769 -0.534 -5.132 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.404 1.461 -7.220 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -9.240 -1.463 -7.352 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -8.759 -0.467 -8.711 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.339 -2.947 -6.419 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -4.752 -2.918 -6.420 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.643 1.527 -8.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.726 -1.190 -7.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -4.342 2.307 -9.186 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -2.409 0.962 -8.468 1.00 0.00 H new ATOM 990 N LYS A 66 -11.341 0.351 -6.301 1.00 0.00 N ATOM 991 CA LYS A 66 -12.777 0.569 -6.432 1.00 0.00 C ATOM 992 C LYS A 66 -13.104 2.059 -6.415 1.00 0.00 C ATOM 993 O LYS A 66 -13.800 2.562 -7.297 1.00 0.00 O ATOM 994 CB LYS A 66 -13.526 -0.141 -5.303 1.00 0.00 C ATOM 995 CG LYS A 66 -13.648 -1.642 -5.504 1.00 0.00 C ATOM 996 CD LYS A 66 -14.801 -2.220 -4.701 1.00 0.00 C ATOM 997 CE LYS A 66 -14.549 -3.674 -4.331 1.00 0.00 C ATOM 998 NZ LYS A 66 -13.674 -3.796 -3.131 1.00 0.00 N ATOM 0 H LYS A 66 -11.078 -0.273 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 66 -13.097 0.155 -7.388 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.012 0.050 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.524 0.288 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -13.796 -1.857 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -12.718 -2.127 -5.207 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -14.945 -1.632 -3.794 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.722 -2.145 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.500 -4.170 -4.139 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -14.085 -4.188 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.970 -4.619 -2.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.686 -3.919 -3.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.755 -2.935 -2.554 1.00 0.00 H new ATOM 1012 N VAL A 67 -12.596 2.760 -5.406 1.00 0.00 N ATOM 1013 CA VAL A 67 -12.833 4.193 -5.275 1.00 0.00 C ATOM 1014 C VAL A 67 -12.629 4.907 -6.607 1.00 0.00 C ATOM 1015 O VAL A 67 -13.346 5.853 -6.932 1.00 0.00 O ATOM 1016 CB VAL A 67 -11.902 4.822 -4.221 1.00 0.00 C ATOM 1017 CG1 VAL A 67 -12.402 4.515 -2.818 1.00 0.00 C ATOM 1018 CG2 VAL A 67 -10.476 4.328 -4.408 1.00 0.00 C ATOM 0 H VAL A 67 -12.018 2.359 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.868 4.315 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.907 5.904 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.732 4.967 -2.086 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.405 4.922 -2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.427 3.436 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.832 4.782 -3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.450 3.244 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.123 4.604 -5.402 1.00 0.00 H new ATOM 1028 N GLY A 68 -11.646 4.447 -7.375 1.00 0.00 N ATOM 1029 CA GLY A 68 -11.366 5.053 -8.664 1.00 0.00 C ATOM 1030 C GLY A 68 -10.025 5.758 -8.693 1.00 0.00 C ATOM 1031 O GLY A 68 -9.896 6.839 -9.269 1.00 0.00 O ATOM 0 H GLY A 68 -11.039 3.666 -7.128 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.385 4.284 -9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.154 5.767 -8.905 1.00 0.00 H new ATOM 1035 N HIS A 69 -9.023 5.146 -8.070 1.00 0.00 N ATOM 1036 CA HIS A 69 -7.684 5.723 -8.026 1.00 0.00 C ATOM 1037 C HIS A 69 -6.680 4.822 -8.740 1.00 0.00 C ATOM 1038 O HIS A 69 -6.025 3.989 -8.114 1.00 0.00 O ATOM 1039 CB HIS A 69 -7.248 5.944 -6.577 1.00 0.00 C ATOM 1040 CG HIS A 69 -7.910 7.119 -5.925 1.00 0.00 C ATOM 1041 ND1 HIS A 69 -7.207 8.142 -5.325 1.00 0.00 N ATOM 1042 CD2 HIS A 69 -9.220 7.430 -5.782 1.00 0.00 C ATOM 1043 CE1 HIS A 69 -8.056 9.031 -4.840 1.00 0.00 C ATOM 1044 NE2 HIS A 69 -9.283 8.622 -5.105 1.00 0.00 N ATOM 0 H HIS A 69 -9.113 4.251 -7.589 1.00 0.00 H new ATOM 0 HA HIS A 69 -7.713 6.684 -8.540 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.468 5.046 -5.999 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.167 6.084 -6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.059 6.848 -6.135 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -7.791 9.938 -4.316 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -10.139 9.113 -4.848 1.00 0.00 H new ATOM 1052 N SER A 70 -6.566 4.995 -10.053 1.00 0.00 N ATOM 1053 CA SER A 70 -5.646 4.195 -10.852 1.00 0.00 C ATOM 1054 C SER A 70 -4.238 4.781 -10.810 1.00 0.00 C ATOM 1055 O SER A 70 -4.062 5.990 -10.655 1.00 0.00 O ATOM 1056 CB SER A 70 -6.134 4.114 -12.300 1.00 0.00 C ATOM 1057 OG SER A 70 -7.428 3.540 -12.372 1.00 0.00 O ATOM 0 H SER A 70 -7.099 5.682 -10.586 1.00 0.00 H new ATOM 0 HA SER A 70 -5.615 3.191 -10.429 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.151 5.112 -12.737 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.436 3.519 -12.889 1.00 0.00 H new ATOM 0 HG SER A 70 -7.717 3.501 -13.308 1.00 0.00 H new ATOM 1063 N ILE A 71 -3.240 3.915 -10.948 1.00 0.00 N ATOM 1064 CA ILE A 71 -1.847 4.346 -10.927 1.00 0.00 C ATOM 1065 C ILE A 71 -1.054 3.699 -12.057 1.00 0.00 C ATOM 1066 O ILE A 71 -0.964 2.474 -12.143 1.00 0.00 O ATOM 1067 CB ILE A 71 -1.174 4.009 -9.583 1.00 0.00 C ATOM 1068 CG1 ILE A 71 -1.851 4.773 -8.443 1.00 0.00 C ATOM 1069 CG2 ILE A 71 0.311 4.334 -9.638 1.00 0.00 C ATOM 1070 CD1 ILE A 71 -1.793 4.051 -7.114 1.00 0.00 C ATOM 0 H ILE A 71 -3.369 2.911 -11.075 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.849 5.428 -11.062 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.285 2.941 -9.395 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.377 5.749 -8.338 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.894 4.952 -8.705 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.772 4.090 -8.681 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.783 3.749 -10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.444 5.396 -9.845 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.292 4.650 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.293 3.086 -7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.752 3.896 -6.829 1.00 0.00 H new ATOM 1082 N ARG A 72 -0.479 4.530 -12.920 1.00 0.00 N ATOM 1083 CA ARG A 72 0.308 4.038 -14.044 1.00 0.00 C ATOM 1084 C ARG A 72 1.556 3.308 -13.557 1.00 0.00 C ATOM 1085 O ARG A 72 1.759 2.132 -13.862 1.00 0.00 O ATOM 1086 CB ARG A 72 0.708 5.197 -14.960 1.00 0.00 C ATOM 1087 CG ARG A 72 -0.334 5.526 -16.016 1.00 0.00 C ATOM 1088 CD ARG A 72 -1.402 6.462 -15.474 1.00 0.00 C ATOM 1089 NE ARG A 72 -1.022 7.865 -15.614 1.00 0.00 N ATOM 1090 CZ ARG A 72 -1.653 8.862 -15.004 1.00 0.00 C ATOM 1091 NH1 ARG A 72 -2.690 8.612 -14.217 1.00 0.00 N ATOM 1092 NH2 ARG A 72 -1.248 10.113 -15.181 1.00 0.00 N ATOM 0 H ARG A 72 -0.543 5.546 -12.862 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.307 3.335 -14.605 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.889 6.083 -14.352 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.648 4.951 -15.454 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.152 5.986 -16.876 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.800 4.606 -16.368 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.340 6.286 -16.001 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.581 6.238 -14.422 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.228 8.092 -16.213 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.005 7.652 -14.079 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.173 9.380 -13.750 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.451 10.310 -15.786 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.734 10.877 -14.712 1.00 0.00 H new ATOM 1106 N HIS A 73 2.390 4.012 -12.798 1.00 0.00 N ATOM 1107 CA HIS A 73 3.618 3.431 -12.269 1.00 0.00 C ATOM 1108 C HIS A 73 3.685 3.591 -10.753 1.00 0.00 C ATOM 1109 O HIS A 73 4.253 4.550 -10.230 1.00 0.00 O ATOM 1110 CB HIS A 73 4.838 4.086 -12.917 1.00 0.00 C ATOM 1111 CG HIS A 73 4.626 5.524 -13.277 1.00 0.00 C ATOM 1112 ND1 HIS A 73 5.258 6.135 -14.339 1.00 0.00 N ATOM 1113 CD2 HIS A 73 3.844 6.472 -12.710 1.00 0.00 C ATOM 1114 CE1 HIS A 73 4.875 7.398 -14.409 1.00 0.00 C ATOM 1115 NE2 HIS A 73 4.017 7.628 -13.431 1.00 0.00 N ATOM 0 H HIS A 73 2.237 4.986 -12.536 1.00 0.00 H new ATOM 0 HA HIS A 73 3.618 2.367 -12.505 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.685 4.012 -12.235 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.104 3.530 -13.816 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.203 6.343 -11.850 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.207 8.119 -15.141 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.558 8.519 -13.242 1.00 0.00 H new ATOM 1123 N PRO A 74 3.091 2.631 -10.029 1.00 0.00 N ATOM 1124 CA PRO A 74 3.070 2.643 -8.563 1.00 0.00 C ATOM 1125 C PRO A 74 4.446 2.382 -7.961 1.00 0.00 C ATOM 1126 O PRO A 74 4.659 2.580 -6.765 1.00 0.00 O ATOM 1127 CB PRO A 74 2.108 1.505 -8.213 1.00 0.00 C ATOM 1128 CG PRO A 74 2.168 0.585 -9.383 1.00 0.00 C ATOM 1129 CD PRO A 74 2.395 1.458 -10.586 1.00 0.00 C ATOM 0 HA PRO A 74 2.767 3.613 -8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.410 0.999 -7.296 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.096 1.877 -8.053 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.975 -0.139 -9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.242 0.018 -9.481 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.998 0.953 -11.341 1.00 0.00 H new ATOM 0 HD3 PRO A 74 1.456 1.737 -11.063 1.00 0.00 H new ATOM 1137 N ASP A 75 5.377 1.936 -8.797 1.00 0.00 N ATOM 1138 CA ASP A 75 6.734 1.649 -8.347 1.00 0.00 C ATOM 1139 C ASP A 75 7.414 2.913 -7.828 1.00 0.00 C ATOM 1140 O ASP A 75 8.147 2.875 -6.840 1.00 0.00 O ATOM 1141 CB ASP A 75 7.556 1.045 -9.488 1.00 0.00 C ATOM 1142 CG ASP A 75 8.106 2.101 -10.427 1.00 0.00 C ATOM 1143 OD1 ASP A 75 7.301 2.878 -10.983 1.00 0.00 O ATOM 1144 OD2 ASP A 75 9.340 2.151 -10.605 1.00 0.00 O ATOM 0 H ASP A 75 5.217 1.765 -9.790 1.00 0.00 H new ATOM 0 HA ASP A 75 6.675 0.929 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.382 0.468 -9.071 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.934 0.350 -10.052 1.00 0.00 H new ATOM 1149 N VAL A 76 7.165 4.031 -8.502 1.00 0.00 N ATOM 1150 CA VAL A 76 7.752 5.307 -8.109 1.00 0.00 C ATOM 1151 C VAL A 76 6.714 6.212 -7.456 1.00 0.00 C ATOM 1152 O VAL A 76 6.985 6.851 -6.440 1.00 0.00 O ATOM 1153 CB VAL A 76 8.367 6.037 -9.318 1.00 0.00 C ATOM 1154 CG1 VAL A 76 9.546 5.253 -9.874 1.00 0.00 C ATOM 1155 CG2 VAL A 76 7.315 6.268 -10.392 1.00 0.00 C ATOM 0 H VAL A 76 6.561 4.079 -9.323 1.00 0.00 H new ATOM 0 HA VAL A 76 8.539 5.085 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 76 8.733 7.008 -8.985 1.00 0.00 H new ATOM 0 HG11 VAL A 76 9.967 5.785 -10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.308 5.145 -9.102 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.209 4.266 -10.192 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.767 6.785 -11.239 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.916 5.309 -10.723 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.507 6.876 -9.985 1.00 0.00 H new ATOM 1165 N GLU A 77 5.524 6.261 -8.047 1.00 0.00 N ATOM 1166 CA GLU A 77 4.445 7.089 -7.522 1.00 0.00 C ATOM 1167 C GLU A 77 3.995 6.592 -6.152 1.00 0.00 C ATOM 1168 O GLU A 77 3.933 7.359 -5.190 1.00 0.00 O ATOM 1169 CB GLU A 77 3.259 7.094 -8.490 1.00 0.00 C ATOM 1170 CG GLU A 77 3.444 8.025 -9.676 1.00 0.00 C ATOM 1171 CD GLU A 77 2.126 8.486 -10.267 1.00 0.00 C ATOM 1172 OE1 GLU A 77 1.148 7.713 -10.212 1.00 0.00 O ATOM 1173 OE2 GLU A 77 2.074 9.622 -10.784 1.00 0.00 O ATOM 0 H GLU A 77 5.283 5.738 -8.889 1.00 0.00 H new ATOM 0 HA GLU A 77 4.822 8.106 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.096 6.081 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 77 2.360 7.385 -7.947 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.022 8.895 -9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.025 7.516 -10.445 1.00 0.00 H new ATOM 1180 N VAL A 78 3.681 5.303 -6.070 1.00 0.00 N ATOM 1181 CA VAL A 78 3.238 4.702 -4.818 1.00 0.00 C ATOM 1182 C VAL A 78 4.422 4.198 -4.000 1.00 0.00 C ATOM 1183 O VAL A 78 5.147 3.300 -4.427 1.00 0.00 O ATOM 1184 CB VAL A 78 2.267 3.533 -5.069 1.00 0.00 C ATOM 1185 CG1 VAL A 78 1.808 2.927 -3.752 1.00 0.00 C ATOM 1186 CG2 VAL A 78 1.076 3.997 -5.894 1.00 0.00 C ATOM 0 H VAL A 78 3.725 4.655 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 78 2.720 5.482 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 78 2.793 2.762 -5.633 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.123 2.103 -3.950 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.672 2.556 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.299 3.687 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.401 3.158 -6.062 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.548 4.787 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.425 4.379 -6.853 1.00 0.00 H new ATOM 1196 N ASP A 79 4.612 4.783 -2.822 1.00 0.00 N ATOM 1197 CA ASP A 79 5.707 4.392 -1.943 1.00 0.00 C ATOM 1198 C ASP A 79 5.486 2.988 -1.390 1.00 0.00 C ATOM 1199 O ASP A 79 4.383 2.448 -1.462 1.00 0.00 O ATOM 1200 CB ASP A 79 5.847 5.391 -0.793 1.00 0.00 C ATOM 1201 CG ASP A 79 7.265 5.470 -0.264 1.00 0.00 C ATOM 1202 OD1 ASP A 79 8.204 5.518 -1.087 1.00 0.00 O ATOM 1203 OD2 ASP A 79 7.437 5.484 0.973 1.00 0.00 O ATOM 0 H ASP A 79 4.022 5.529 -2.454 1.00 0.00 H new ATOM 0 HA ASP A 79 6.627 4.391 -2.528 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.534 6.378 -1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.176 5.105 0.017 1.00 0.00 H new ATOM 1208 N GLY A 80 6.544 2.401 -0.837 1.00 0.00 N ATOM 1209 CA GLY A 80 6.444 1.064 -0.281 1.00 0.00 C ATOM 1210 C GLY A 80 6.528 -0.013 -1.344 1.00 0.00 C ATOM 1211 O GLY A 80 7.165 -1.047 -1.141 1.00 0.00 O ATOM 0 H GLY A 80 7.468 2.827 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.242 0.916 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.501 0.967 0.257 1.00 0.00 H new ATOM 1215 N PHE A 81 5.881 0.227 -2.480 1.00 0.00 N ATOM 1216 CA PHE A 81 5.883 -0.733 -3.578 1.00 0.00 C ATOM 1217 C PHE A 81 7.257 -1.377 -3.736 1.00 0.00 C ATOM 1218 O PHE A 81 7.369 -2.589 -3.921 1.00 0.00 O ATOM 1219 CB PHE A 81 5.476 -0.047 -4.884 1.00 0.00 C ATOM 1220 CG PHE A 81 5.691 -0.899 -6.101 1.00 0.00 C ATOM 1221 CD1 PHE A 81 6.972 -1.187 -6.545 1.00 0.00 C ATOM 1222 CD2 PHE A 81 4.613 -1.413 -6.803 1.00 0.00 C ATOM 1223 CE1 PHE A 81 7.174 -1.971 -7.665 1.00 0.00 C ATOM 1224 CE2 PHE A 81 4.808 -2.199 -7.923 1.00 0.00 C ATOM 1225 CZ PHE A 81 6.090 -2.477 -8.355 1.00 0.00 C ATOM 0 H PHE A 81 5.349 1.078 -2.664 1.00 0.00 H new ATOM 0 HA PHE A 81 5.160 -1.515 -3.345 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.424 0.231 -4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.044 0.877 -4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.823 -0.794 -6.009 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.608 -1.197 -6.471 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.178 -2.188 -8.000 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.959 -2.595 -8.460 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.245 -3.089 -9.231 1.00 0.00 H new ATOM 1235 N SER A 82 8.301 -0.557 -3.661 1.00 0.00 N ATOM 1236 CA SER A 82 9.668 -1.045 -3.800 1.00 0.00 C ATOM 1237 C SER A 82 9.978 -2.100 -2.742 1.00 0.00 C ATOM 1238 O SER A 82 10.604 -3.118 -3.032 1.00 0.00 O ATOM 1239 CB SER A 82 10.659 0.114 -3.686 1.00 0.00 C ATOM 1240 OG SER A 82 11.868 -0.180 -4.365 1.00 0.00 O ATOM 0 H SER A 82 8.226 0.448 -3.505 1.00 0.00 H new ATOM 0 HA SER A 82 9.766 -1.503 -4.784 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.215 1.018 -4.102 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.868 0.316 -2.635 1.00 0.00 H new ATOM 0 HG SER A 82 12.484 0.577 -4.279 1.00 0.00 H new ATOM 1246 N GLU A 83 9.534 -1.847 -1.515 1.00 0.00 N ATOM 1247 CA GLU A 83 9.764 -2.774 -0.413 1.00 0.00 C ATOM 1248 C GLU A 83 9.114 -4.126 -0.695 1.00 0.00 C ATOM 1249 O GLU A 83 9.705 -5.177 -0.442 1.00 0.00 O ATOM 1250 CB GLU A 83 9.218 -2.195 0.893 1.00 0.00 C ATOM 1251 CG GLU A 83 10.114 -1.135 1.511 1.00 0.00 C ATOM 1252 CD GLU A 83 9.396 -0.300 2.553 1.00 0.00 C ATOM 1253 OE1 GLU A 83 8.587 -0.869 3.315 1.00 0.00 O ATOM 1254 OE2 GLU A 83 9.644 0.923 2.607 1.00 0.00 O ATOM 0 H GLU A 83 9.013 -1.008 -1.259 1.00 0.00 H new ATOM 0 HA GLU A 83 10.840 -2.921 -0.314 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.235 -1.763 0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.080 -3.005 1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.978 -1.617 1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.493 -0.482 0.725 1.00 0.00 H new ATOM 1261 N LEU A 84 7.894 -4.091 -1.219 1.00 0.00 N ATOM 1262 CA LEU A 84 7.162 -5.312 -1.535 1.00 0.00 C ATOM 1263 C LEU A 84 8.047 -6.298 -2.291 1.00 0.00 C ATOM 1264 O LEU A 84 8.931 -5.898 -3.048 1.00 0.00 O ATOM 1265 CB LEU A 84 5.919 -4.985 -2.364 1.00 0.00 C ATOM 1266 CG LEU A 84 4.987 -3.920 -1.786 1.00 0.00 C ATOM 1267 CD1 LEU A 84 3.880 -3.585 -2.773 1.00 0.00 C ATOM 1268 CD2 LEU A 84 4.400 -4.386 -0.462 1.00 0.00 C ATOM 0 H LEU A 84 7.391 -3.230 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 84 6.854 -5.774 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.242 -4.659 -3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.347 -5.903 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 84 5.569 -3.016 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.227 -2.825 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.318 -3.207 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.300 -4.483 -2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.739 -3.615 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.834 -5.304 -0.618 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.206 -4.573 0.248 1.00 0.00 H new ATOM 1280 N ARG A 85 7.801 -7.587 -2.082 1.00 0.00 N ATOM 1281 CA ARG A 85 8.575 -8.630 -2.745 1.00 0.00 C ATOM 1282 C ARG A 85 8.386 -8.568 -4.258 1.00 0.00 C ATOM 1283 O ARG A 85 7.650 -7.723 -4.767 1.00 0.00 O ATOM 1284 CB ARG A 85 8.165 -10.008 -2.224 1.00 0.00 C ATOM 1285 CG ARG A 85 8.701 -10.320 -0.837 1.00 0.00 C ATOM 1286 CD ARG A 85 10.089 -10.937 -0.901 1.00 0.00 C ATOM 1287 NE ARG A 85 10.048 -12.333 -1.327 1.00 0.00 N ATOM 1288 CZ ARG A 85 11.048 -12.940 -1.957 1.00 0.00 C ATOM 1289 NH1 ARG A 85 12.162 -12.275 -2.233 1.00 0.00 N ATOM 1290 NH2 ARG A 85 10.935 -14.213 -2.312 1.00 0.00 N ATOM 0 H ARG A 85 7.072 -7.934 -1.459 1.00 0.00 H new ATOM 0 HA ARG A 85 9.629 -8.464 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.077 -10.071 -2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.517 -10.769 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.735 -9.405 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.021 -11.004 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.708 -10.365 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.561 -10.871 0.079 1.00 0.00 H new ATOM 0 HE ARG A 85 9.205 -12.872 -1.130 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.252 -11.296 -1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.929 -12.743 -2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.080 -14.727 -2.101 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.703 -14.678 -2.796 1.00 0.00 H new ATOM 1304 N TRP A 86 9.055 -9.469 -4.969 1.00 0.00 N ATOM 1305 CA TRP A 86 8.961 -9.516 -6.424 1.00 0.00 C ATOM 1306 C TRP A 86 7.542 -9.856 -6.867 1.00 0.00 C ATOM 1307 O TRP A 86 6.953 -9.152 -7.687 1.00 0.00 O ATOM 1308 CB TRP A 86 9.944 -10.545 -6.985 1.00 0.00 C ATOM 1309 CG TRP A 86 10.094 -10.472 -8.475 1.00 0.00 C ATOM 1310 CD1 TRP A 86 11.043 -9.778 -9.170 1.00 0.00 C ATOM 1311 CD2 TRP A 86 9.268 -11.115 -9.452 1.00 0.00 C ATOM 1312 NE1 TRP A 86 10.857 -9.951 -10.520 1.00 0.00 N ATOM 1313 CE2 TRP A 86 9.775 -10.768 -10.719 1.00 0.00 C ATOM 1314 CE3 TRP A 86 8.152 -11.953 -9.379 1.00 0.00 C ATOM 1315 CZ2 TRP A 86 9.202 -11.229 -11.902 1.00 0.00 C ATOM 1316 CZ3 TRP A 86 7.584 -12.409 -10.553 1.00 0.00 C ATOM 1317 CH2 TRP A 86 8.110 -12.047 -11.801 1.00 0.00 C ATOM 0 H TRP A 86 9.668 -10.176 -4.562 1.00 0.00 H new ATOM 0 HA TRP A 86 9.216 -8.530 -6.812 1.00 0.00 H new ATOM 0 HB2 TRP A 86 10.919 -10.396 -6.521 1.00 0.00 H new ATOM 0 HB3 TRP A 86 9.609 -11.545 -6.709 1.00 0.00 H new ATOM 0 HD1 TRP A 86 11.825 -9.181 -8.724 1.00 0.00 H new ATOM 0 HE1 TRP A 86 11.431 -9.538 -11.255 1.00 0.00 H new ATOM 0 HE3 TRP A 86 7.741 -12.239 -8.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 9.605 -10.951 -12.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 6.720 -13.055 -10.508 1.00 0.00 H new ATOM 0 HH2 TRP A 86 7.644 -12.421 -12.701 1.00 0.00 H new ATOM 1328 N ASP A 87 7.000 -10.938 -6.320 1.00 0.00 N ATOM 1329 CA ASP A 87 5.648 -11.370 -6.658 1.00 0.00 C ATOM 1330 C ASP A 87 4.672 -10.200 -6.595 1.00 0.00 C ATOM 1331 O ASP A 87 4.038 -9.853 -7.591 1.00 0.00 O ATOM 1332 CB ASP A 87 5.193 -12.482 -5.711 1.00 0.00 C ATOM 1333 CG ASP A 87 4.203 -13.427 -6.363 1.00 0.00 C ATOM 1334 OD1 ASP A 87 3.156 -12.949 -6.847 1.00 0.00 O ATOM 1335 OD2 ASP A 87 4.476 -14.645 -6.388 1.00 0.00 O ATOM 0 H ASP A 87 7.475 -11.532 -5.641 1.00 0.00 H new ATOM 0 HA ASP A 87 5.660 -11.755 -7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.062 -13.047 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.738 -12.038 -4.825 1.00 0.00 H new ATOM 1340 N ASP A 88 4.556 -9.596 -5.417 1.00 0.00 N ATOM 1341 CA ASP A 88 3.656 -8.464 -5.223 1.00 0.00 C ATOM 1342 C ASP A 88 3.880 -7.403 -6.296 1.00 0.00 C ATOM 1343 O ASP A 88 2.980 -7.101 -7.079 1.00 0.00 O ATOM 1344 CB ASP A 88 3.860 -7.855 -3.835 1.00 0.00 C ATOM 1345 CG ASP A 88 3.961 -8.909 -2.750 1.00 0.00 C ATOM 1346 OD1 ASP A 88 2.947 -9.590 -2.488 1.00 0.00 O ATOM 1347 OD2 ASP A 88 5.053 -9.053 -2.162 1.00 0.00 O ATOM 0 H ASP A 88 5.074 -9.871 -4.582 1.00 0.00 H new ATOM 0 HA ASP A 88 2.631 -8.827 -5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.767 -7.251 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 88 3.031 -7.184 -3.610 1.00 0.00 H new ATOM 1352 N GLN A 89 5.084 -6.841 -6.324 1.00 0.00 N ATOM 1353 CA GLN A 89 5.424 -5.812 -7.299 1.00 0.00 C ATOM 1354 C GLN A 89 4.753 -6.091 -8.640 1.00 0.00 C ATOM 1355 O GLN A 89 4.043 -5.242 -9.177 1.00 0.00 O ATOM 1356 CB GLN A 89 6.940 -5.733 -7.480 1.00 0.00 C ATOM 1357 CG GLN A 89 7.648 -4.983 -6.363 1.00 0.00 C ATOM 1358 CD GLN A 89 9.044 -4.536 -6.753 1.00 0.00 C ATOM 1359 OE1 GLN A 89 9.387 -4.494 -7.934 1.00 0.00 O ATOM 1360 NE2 GLN A 89 9.857 -4.200 -5.758 1.00 0.00 N ATOM 0 H GLN A 89 5.840 -7.081 -5.683 1.00 0.00 H new ATOM 0 HA GLN A 89 5.060 -4.856 -6.923 1.00 0.00 H new ATOM 0 HB2 GLN A 89 7.343 -6.744 -7.540 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.159 -5.245 -8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.056 -4.111 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.708 -5.623 -5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 89 9.530 -4.250 -4.793 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.808 -3.892 -5.959 1.00 0.00 H new ATOM 1369 N GLN A 90 4.985 -7.285 -9.175 1.00 0.00 N ATOM 1370 CA GLN A 90 4.404 -7.674 -10.455 1.00 0.00 C ATOM 1371 C GLN A 90 2.881 -7.630 -10.397 1.00 0.00 C ATOM 1372 O GLN A 90 2.226 -7.167 -11.332 1.00 0.00 O ATOM 1373 CB GLN A 90 4.871 -9.078 -10.845 1.00 0.00 C ATOM 1374 CG GLN A 90 6.383 -9.225 -10.892 1.00 0.00 C ATOM 1375 CD GLN A 90 7.043 -8.187 -11.778 1.00 0.00 C ATOM 1376 OE1 GLN A 90 7.096 -7.006 -11.436 1.00 0.00 O ATOM 1377 NE2 GLN A 90 7.551 -8.624 -12.925 1.00 0.00 N ATOM 0 H GLN A 90 5.571 -7.999 -8.743 1.00 0.00 H new ATOM 0 HA GLN A 90 4.741 -6.964 -11.210 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.466 -9.797 -10.133 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.459 -9.331 -11.822 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.784 -9.143 -9.882 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.636 -10.221 -11.255 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.485 -9.612 -13.169 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.007 -7.971 -13.562 1.00 0.00 H new ATOM 1386 N LYS A 91 2.321 -8.114 -9.293 1.00 0.00 N ATOM 1387 CA LYS A 91 0.875 -8.129 -9.112 1.00 0.00 C ATOM 1388 C LYS A 91 0.300 -6.720 -9.204 1.00 0.00 C ATOM 1389 O LYS A 91 -0.687 -6.485 -9.901 1.00 0.00 O ATOM 1390 CB LYS A 91 0.516 -8.750 -7.760 1.00 0.00 C ATOM 1391 CG LYS A 91 -0.973 -8.738 -7.461 1.00 0.00 C ATOM 1392 CD LYS A 91 -1.252 -9.071 -6.004 1.00 0.00 C ATOM 1393 CE LYS A 91 -1.248 -10.573 -5.765 1.00 0.00 C ATOM 1394 NZ LYS A 91 -2.336 -11.257 -6.517 1.00 0.00 N ATOM 0 H LYS A 91 2.848 -8.501 -8.510 1.00 0.00 H new ATOM 0 HA LYS A 91 0.441 -8.732 -9.909 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.875 -9.779 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.041 -8.211 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.384 -7.756 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.480 -9.458 -8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.500 -8.599 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.218 -8.658 -5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.285 -10.986 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.363 -10.772 -4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.547 -12.171 -6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.190 -10.663 -6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.033 -11.415 -7.499 1.00 0.00 H new ATOM 1408 N VAL A 92 0.925 -5.783 -8.498 1.00 0.00 N ATOM 1409 CA VAL A 92 0.477 -4.395 -8.503 1.00 0.00 C ATOM 1410 C VAL A 92 0.630 -3.773 -9.886 1.00 0.00 C ATOM 1411 O VAL A 92 -0.258 -3.067 -10.364 1.00 0.00 O ATOM 1412 CB VAL A 92 1.260 -3.549 -7.482 1.00 0.00 C ATOM 1413 CG1 VAL A 92 0.852 -2.087 -7.575 1.00 0.00 C ATOM 1414 CG2 VAL A 92 1.046 -4.082 -6.073 1.00 0.00 C ATOM 0 H VAL A 92 1.743 -5.960 -7.915 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.577 -4.402 -8.226 1.00 0.00 H new ATOM 0 HB VAL A 92 2.322 -3.620 -7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.416 -1.505 -6.846 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.061 -1.714 -8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.214 -1.993 -7.368 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.607 -3.472 -5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.015 -4.042 -5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.393 -5.114 -6.018 1.00 0.00 H new ATOM 1424 N LYS A 93 1.764 -4.040 -10.526 1.00 0.00 N ATOM 1425 CA LYS A 93 2.034 -3.508 -11.857 1.00 0.00 C ATOM 1426 C LYS A 93 0.843 -3.728 -12.784 1.00 0.00 C ATOM 1427 O LYS A 93 0.204 -2.774 -13.228 1.00 0.00 O ATOM 1428 CB LYS A 93 3.283 -4.168 -12.447 1.00 0.00 C ATOM 1429 CG LYS A 93 4.584 -3.592 -11.917 1.00 0.00 C ATOM 1430 CD LYS A 93 5.790 -4.248 -12.567 1.00 0.00 C ATOM 1431 CE LYS A 93 7.093 -3.692 -12.013 1.00 0.00 C ATOM 1432 NZ LYS A 93 8.282 -4.327 -12.648 1.00 0.00 N ATOM 0 H LYS A 93 2.510 -4.621 -10.145 1.00 0.00 H new ATOM 0 HA LYS A 93 2.205 -2.435 -11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.255 -5.236 -12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.263 -4.060 -13.531 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.609 -2.518 -12.102 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.631 -3.731 -10.837 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.753 -5.325 -12.402 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.755 -4.090 -13.645 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.126 -2.615 -12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.127 -3.853 -10.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.150 -3.921 -12.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.264 -5.352 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.263 -4.152 -13.673 1.00 0.00 H new ATOM 1446 N LYS A 94 0.549 -4.992 -13.071 1.00 0.00 N ATOM 1447 CA LYS A 94 -0.567 -5.338 -13.943 1.00 0.00 C ATOM 1448 C LYS A 94 -1.868 -4.730 -13.429 1.00 0.00 C ATOM 1449 O LYS A 94 -2.579 -4.045 -14.166 1.00 0.00 O ATOM 1450 CB LYS A 94 -0.709 -6.859 -14.045 1.00 0.00 C ATOM 1451 CG LYS A 94 -0.698 -7.562 -12.699 1.00 0.00 C ATOM 1452 CD LYS A 94 -0.073 -8.944 -12.796 1.00 0.00 C ATOM 1453 CE LYS A 94 -1.125 -10.015 -13.040 1.00 0.00 C ATOM 1454 NZ LYS A 94 -0.517 -11.295 -13.497 1.00 0.00 N ATOM 0 H LYS A 94 1.068 -5.793 -12.712 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.362 -4.931 -14.933 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.640 -7.095 -14.561 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.103 -7.251 -14.657 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.144 -6.961 -11.978 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.718 -7.649 -12.324 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.657 -8.958 -13.605 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.467 -9.166 -11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.688 -10.187 -12.122 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.835 -9.663 -13.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.266 -11.999 -13.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.001 -11.136 -14.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.142 -11.645 -12.772 1.00 0.00 H new ATOM 1468 N THR A 95 -2.174 -4.982 -12.161 1.00 0.00 N ATOM 1469 CA THR A 95 -3.389 -4.459 -11.549 1.00 0.00 C ATOM 1470 C THR A 95 -3.585 -2.986 -11.888 1.00 0.00 C ATOM 1471 O THR A 95 -4.657 -2.580 -12.336 1.00 0.00 O ATOM 1472 CB THR A 95 -3.362 -4.622 -10.017 1.00 0.00 C ATOM 1473 OG1 THR A 95 -3.192 -6.002 -9.674 1.00 0.00 O ATOM 1474 CG2 THR A 95 -4.645 -4.094 -9.394 1.00 0.00 C ATOM 0 H THR A 95 -1.597 -5.546 -11.537 1.00 0.00 H new ATOM 0 HA THR A 95 -4.220 -5.036 -11.954 1.00 0.00 H new ATOM 0 HB THR A 95 -2.523 -4.045 -9.627 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.259 -6.264 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.603 -4.220 -8.312 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.757 -3.036 -9.632 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.496 -4.647 -9.791 1.00 0.00 H new ATOM 1482 N ALA A 96 -2.543 -2.190 -11.672 1.00 0.00 N ATOM 1483 CA ALA A 96 -2.600 -0.762 -11.958 1.00 0.00 C ATOM 1484 C ALA A 96 -3.131 -0.504 -13.364 1.00 0.00 C ATOM 1485 O ALA A 96 -4.051 0.290 -13.554 1.00 0.00 O ATOM 1486 CB ALA A 96 -1.225 -0.134 -11.787 1.00 0.00 C ATOM 0 H ALA A 96 -1.649 -2.510 -11.300 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.288 -0.302 -11.249 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.283 0.933 -12.004 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.884 -0.278 -10.762 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.522 -0.606 -12.473 1.00 0.00 H new ATOM 1492 N GLU A 97 -2.543 -1.181 -14.347 1.00 0.00 N ATOM 1493 CA GLU A 97 -2.957 -1.023 -15.736 1.00 0.00 C ATOM 1494 C GLU A 97 -4.451 -1.289 -15.892 1.00 0.00 C ATOM 1495 O GLU A 97 -5.166 -0.519 -16.532 1.00 0.00 O ATOM 1496 CB GLU A 97 -2.162 -1.968 -16.639 1.00 0.00 C ATOM 1497 CG GLU A 97 -0.666 -1.703 -16.631 1.00 0.00 C ATOM 1498 CD GLU A 97 -0.302 -0.395 -17.305 1.00 0.00 C ATOM 1499 OE1 GLU A 97 -0.815 0.659 -16.874 1.00 0.00 O ATOM 1500 OE2 GLU A 97 0.497 -0.425 -18.265 1.00 0.00 O ATOM 0 H GLU A 97 -1.780 -1.843 -14.207 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.756 0.006 -16.033 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.342 -2.996 -16.323 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.533 -1.879 -17.660 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.309 -1.689 -15.601 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.153 -2.522 -17.135 1.00 0.00 H new ATOM 1507 N ALA A 98 -4.915 -2.387 -15.304 1.00 0.00 N ATOM 1508 CA ALA A 98 -6.324 -2.755 -15.376 1.00 0.00 C ATOM 1509 C ALA A 98 -7.211 -1.641 -14.830 1.00 0.00 C ATOM 1510 O ALA A 98 -8.265 -1.343 -15.390 1.00 0.00 O ATOM 1511 CB ALA A 98 -6.571 -4.050 -14.615 1.00 0.00 C ATOM 0 H ALA A 98 -4.336 -3.037 -14.773 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.581 -2.908 -16.424 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.627 -4.313 -14.677 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.972 -4.849 -15.052 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.291 -3.917 -13.570 1.00 0.00 H new ATOM 1517 N GLY A 99 -6.778 -1.030 -13.731 1.00 0.00 N ATOM 1518 CA GLY A 99 -7.545 0.044 -13.128 1.00 0.00 C ATOM 1519 C GLY A 99 -8.564 -0.464 -12.126 1.00 0.00 C ATOM 1520 O GLY A 99 -8.481 -0.159 -10.937 1.00 0.00 O ATOM 0 H GLY A 99 -5.910 -1.260 -13.248 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.866 0.737 -12.632 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.057 0.604 -13.910 1.00 0.00 H new ATOM 1524 N GLY A 100 -9.530 -1.241 -12.608 1.00 0.00 N ATOM 1525 CA GLY A 100 -10.556 -1.777 -11.734 1.00 0.00 C ATOM 1526 C GLY A 100 -11.858 -2.044 -12.463 1.00 0.00 C ATOM 1527 O GLY A 100 -12.293 -3.190 -12.572 1.00 0.00 O ATOM 0 H GLY A 100 -9.620 -1.508 -13.588 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.198 -2.703 -11.285 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.737 -1.076 -10.919 1.00 0.00 H new ATOM 1531 N SER A 101 -12.483 -0.982 -12.961 1.00 0.00 N ATOM 1532 CA SER A 101 -13.746 -1.106 -13.679 1.00 0.00 C ATOM 1533 C SER A 101 -13.507 -1.246 -15.179 1.00 0.00 C ATOM 1534 O SER A 101 -12.367 -1.233 -15.642 1.00 0.00 O ATOM 1535 CB SER A 101 -14.635 0.109 -13.404 1.00 0.00 C ATOM 1536 OG SER A 101 -15.395 -0.072 -12.222 1.00 0.00 O ATOM 0 H SER A 101 -12.135 -0.026 -12.880 1.00 0.00 H new ATOM 0 HA SER A 101 -14.251 -2.005 -13.324 1.00 0.00 H new ATOM 0 HB2 SER A 101 -14.017 1.002 -13.309 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.304 0.273 -14.249 1.00 0.00 H new ATOM 0 HG SER A 101 -15.953 0.719 -12.068 1.00 0.00 H new ATOM 1542 N GLY A 102 -14.593 -1.380 -15.935 1.00 0.00 N ATOM 1543 CA GLY A 102 -14.481 -1.521 -17.375 1.00 0.00 C ATOM 1544 C GLY A 102 -14.882 -0.260 -18.114 1.00 0.00 C ATOM 1545 O GLY A 102 -14.431 0.841 -17.796 1.00 0.00 O ATOM 0 H GLY A 102 -15.548 -1.393 -15.576 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.454 -1.778 -17.633 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.109 -2.348 -17.706 1.00 0.00 H new ATOM 1549 N PRO A 103 -15.748 -0.412 -19.127 1.00 0.00 N ATOM 1550 CA PRO A 103 -16.227 0.713 -19.935 1.00 0.00 C ATOM 1551 C PRO A 103 -17.155 1.635 -19.152 1.00 0.00 C ATOM 1552 O PRO A 103 -17.726 2.574 -19.707 1.00 0.00 O ATOM 1553 CB PRO A 103 -16.988 0.032 -21.076 1.00 0.00 C ATOM 1554 CG PRO A 103 -17.411 -1.282 -20.517 1.00 0.00 C ATOM 1555 CD PRO A 103 -16.326 -1.695 -19.562 1.00 0.00 C ATOM 0 HA PRO A 103 -15.409 1.351 -20.271 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -17.848 0.625 -21.388 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -16.354 -0.096 -21.953 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.370 -1.198 -20.005 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -17.536 -2.021 -21.309 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.725 -2.262 -18.721 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -15.582 -2.327 -20.048 1.00 0.00 H new ATOM 1563 N SER A 104 -17.300 1.362 -17.859 1.00 0.00 N ATOM 1564 CA SER A 104 -18.162 2.166 -17.000 1.00 0.00 C ATOM 1565 C SER A 104 -17.339 2.926 -15.964 1.00 0.00 C ATOM 1566 O SER A 104 -16.189 2.580 -15.694 1.00 0.00 O ATOM 1567 CB SER A 104 -19.191 1.277 -16.299 1.00 0.00 C ATOM 1568 OG SER A 104 -19.961 0.549 -17.240 1.00 0.00 O ATOM 0 H SER A 104 -16.832 0.591 -17.383 1.00 0.00 H new ATOM 0 HA SER A 104 -18.684 2.890 -17.626 1.00 0.00 H new ATOM 0 HB2 SER A 104 -18.682 0.585 -15.628 1.00 0.00 H new ATOM 0 HB3 SER A 104 -19.848 1.892 -15.684 1.00 0.00 H new ATOM 0 HG SER A 104 -20.610 -0.013 -16.767 1.00 0.00 H new ATOM 1574 N SER A 105 -17.938 3.963 -15.387 1.00 0.00 N ATOM 1575 CA SER A 105 -17.261 4.775 -14.383 1.00 0.00 C ATOM 1576 C SER A 105 -17.649 4.334 -12.975 1.00 0.00 C ATOM 1577 O SER A 105 -16.799 4.212 -12.094 1.00 0.00 O ATOM 1578 CB SER A 105 -17.601 6.254 -14.579 1.00 0.00 C ATOM 1579 OG SER A 105 -17.065 6.744 -15.796 1.00 0.00 O ATOM 0 H SER A 105 -18.891 4.260 -15.598 1.00 0.00 H new ATOM 0 HA SER A 105 -16.187 4.637 -14.504 1.00 0.00 H new ATOM 0 HB2 SER A 105 -18.683 6.385 -14.576 1.00 0.00 H new ATOM 0 HB3 SER A 105 -17.207 6.835 -13.745 1.00 0.00 H new ATOM 0 HG SER A 105 -17.298 7.690 -15.898 1.00 0.00 H new ATOM 1585 N GLY A 106 -18.941 4.096 -12.772 1.00 0.00 N ATOM 1586 CA GLY A 106 -19.421 3.672 -11.470 1.00 0.00 C ATOM 1587 C GLY A 106 -19.162 4.705 -10.391 1.00 0.00 C ATOM 1588 O GLY A 106 -19.379 4.444 -9.208 1.00 0.00 O ATOM 0 H GLY A 106 -19.664 4.189 -13.486 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -20.491 3.473 -11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -18.937 2.735 -11.195 1.00 0.00 H new TER 1592 GLY A 106 HETATM 1593 ZN ZN A 200 -12.275 -2.561 1.823 1.00 0.00 ZN