USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 719 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 32 ASN : amide:sc= -2.98 K(o=-4.6,f=-6.6!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.6 X(o=-4.6,f=-5!) USER MOD Set 1.3: A 64 THR OG1 : rot 180:sc= 0.0045 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.0448 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0.00125 USER MOD Set 3.1: A 2 SER OG : rot -3:sc= 0.864 USER MOD Set 3.2: A 5 THR OG1 : rot -179:sc= -0.589 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.76 K(o=-1.8,f=-3.4!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 130:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.363 K(o=-0.36,f=-2.2) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= 0.233 (180deg=0.178) USER MOD Single : A 92 SER OG : rot 65:sc= 1.24 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 1.681 2.283 -0.885 1.00 0.00 N ATOM 19 CA SER A 2 2.452 3.512 -1.021 1.00 0.00 C ATOM 20 C SER A 2 1.849 4.629 -0.174 1.00 0.00 C ATOM 21 O SER A 2 0.783 5.157 -0.490 1.00 0.00 O ATOM 22 CB SER A 2 2.510 3.944 -2.488 1.00 0.00 C ATOM 23 OG SER A 2 1.629 3.169 -3.282 1.00 0.00 O ATOM 0 HA SER A 2 3.464 3.317 -0.667 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.247 4.999 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.529 3.839 -2.861 1.00 0.00 H new ATOM 0 HG SER A 2 1.209 2.480 -2.727 1.00 0.00 H new ATOM 29 N VAL A 3 2.540 4.983 0.905 1.00 0.00 N ATOM 30 CA VAL A 3 2.074 6.037 1.799 1.00 0.00 C ATOM 31 C VAL A 3 1.787 7.322 1.031 1.00 0.00 C ATOM 32 O VAL A 3 0.815 8.021 1.314 1.00 0.00 O ATOM 33 CB VAL A 3 3.106 6.332 2.904 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.649 7.502 3.762 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.341 5.095 3.757 1.00 0.00 C ATOM 0 H VAL A 3 3.424 4.556 1.181 1.00 0.00 H new ATOM 0 HA VAL A 3 1.153 5.678 2.258 1.00 0.00 H new ATOM 0 HB VAL A 3 4.050 6.605 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.390 7.696 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.536 8.389 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.693 7.261 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.073 5.321 4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.403 4.789 4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.716 4.286 3.130 1.00 0.00 H new ATOM 45 N GLU A 4 2.639 7.626 0.057 1.00 0.00 N ATOM 46 CA GLU A 4 2.476 8.828 -0.752 1.00 0.00 C ATOM 47 C GLU A 4 1.162 8.788 -1.527 1.00 0.00 C ATOM 48 O GLU A 4 0.518 9.817 -1.734 1.00 0.00 O ATOM 49 CB GLU A 4 3.649 8.978 -1.724 1.00 0.00 C ATOM 50 CG GLU A 4 4.942 9.411 -1.055 1.00 0.00 C ATOM 51 CD GLU A 4 5.530 8.331 -0.167 1.00 0.00 C ATOM 52 OE1 GLU A 4 5.572 7.162 -0.605 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.947 8.654 0.965 1.00 0.00 O ATOM 0 H GLU A 4 3.448 7.057 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 4 2.457 9.687 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.813 8.027 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.384 9.707 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.669 9.683 -1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.757 10.305 -0.459 1.00 0.00 H new ATOM 60 N THR A 5 0.769 7.592 -1.953 1.00 0.00 N ATOM 61 CA THR A 5 -0.467 7.417 -2.706 1.00 0.00 C ATOM 62 C THR A 5 -1.687 7.623 -1.816 1.00 0.00 C ATOM 63 O THR A 5 -2.807 7.770 -2.306 1.00 0.00 O ATOM 64 CB THR A 5 -0.543 6.017 -3.344 1.00 0.00 C ATOM 65 OG1 THR A 5 0.657 5.748 -4.078 1.00 0.00 O ATOM 66 CG2 THR A 5 -1.745 5.909 -4.270 1.00 0.00 C ATOM 0 H THR A 5 1.289 6.730 -1.789 1.00 0.00 H new ATOM 0 HA THR A 5 -0.465 8.169 -3.495 1.00 0.00 H new ATOM 0 HB THR A 5 -0.653 5.283 -2.546 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.595 4.862 -4.492 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.778 4.912 -4.709 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.659 6.086 -3.702 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.661 6.652 -5.063 1.00 0.00 H new ATOM 74 N ILE A 6 -1.463 7.634 -0.506 1.00 0.00 N ATOM 75 CA ILE A 6 -2.545 7.825 0.452 1.00 0.00 C ATOM 76 C ILE A 6 -2.837 9.306 0.664 1.00 0.00 C ATOM 77 O ILE A 6 -3.971 9.756 0.493 1.00 0.00 O ATOM 78 CB ILE A 6 -2.214 7.179 1.811 1.00 0.00 C ATOM 79 CG1 ILE A 6 -1.403 5.898 1.607 1.00 0.00 C ATOM 80 CG2 ILE A 6 -3.491 6.887 2.583 1.00 0.00 C ATOM 81 CD1 ILE A 6 -2.075 4.895 0.695 1.00 0.00 C ATOM 0 H ILE A 6 -0.542 7.513 -0.084 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.427 7.340 0.033 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.613 7.878 2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.428 6.157 1.193 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.224 5.433 2.576 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.241 6.431 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.033 7.817 2.755 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.116 6.204 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.443 4.012 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.038 4.607 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.229 5.342 -0.287 1.00 0.00 H new ATOM 93 N ILE A 7 -1.807 10.060 1.034 1.00 0.00 N ATOM 94 CA ILE A 7 -1.953 11.491 1.265 1.00 0.00 C ATOM 95 C ILE A 7 -2.353 12.217 -0.014 1.00 0.00 C ATOM 96 O ILE A 7 -3.077 13.212 0.025 1.00 0.00 O ATOM 97 CB ILE A 7 -0.651 12.110 1.808 1.00 0.00 C ATOM 98 CG1 ILE A 7 -0.345 11.565 3.204 1.00 0.00 C ATOM 99 CG2 ILE A 7 -0.757 13.627 1.837 1.00 0.00 C ATOM 100 CD1 ILE A 7 -1.390 11.927 4.236 1.00 0.00 C ATOM 0 H ILE A 7 -0.863 9.703 1.180 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.740 11.611 2.009 1.00 0.00 H new ATOM 0 HB ILE A 7 0.169 11.836 1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.259 10.480 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.623 11.946 3.530 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.171 14.049 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.932 13.999 0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.585 13.922 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.108 11.508 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.460 13.012 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.356 11.523 3.933 1.00 0.00 H new ATOM 112 N GLU A 8 -1.878 11.712 -1.148 1.00 0.00 N ATOM 113 CA GLU A 8 -2.187 12.313 -2.441 1.00 0.00 C ATOM 114 C GLU A 8 -3.680 12.605 -2.561 1.00 0.00 C ATOM 115 O GLU A 8 -4.078 13.655 -3.066 1.00 0.00 O ATOM 116 CB GLU A 8 -1.744 11.388 -3.577 1.00 0.00 C ATOM 117 CG GLU A 8 -1.391 12.125 -4.858 1.00 0.00 C ATOM 118 CD GLU A 8 -2.616 12.613 -5.607 1.00 0.00 C ATOM 119 OE1 GLU A 8 -2.758 13.843 -5.772 1.00 0.00 O ATOM 120 OE2 GLU A 8 -3.432 11.767 -6.027 1.00 0.00 O ATOM 0 H GLU A 8 -1.278 10.889 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.643 13.254 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.879 10.812 -3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.541 10.675 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.753 12.976 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.813 11.465 -5.505 1.00 0.00 H new ATOM 127 N ARG A 9 -4.500 11.670 -2.094 1.00 0.00 N ATOM 128 CA ARG A 9 -5.948 11.826 -2.151 1.00 0.00 C ATOM 129 C ARG A 9 -6.420 12.889 -1.163 1.00 0.00 C ATOM 130 O ARG A 9 -7.358 13.636 -1.442 1.00 0.00 O ATOM 131 CB ARG A 9 -6.638 10.494 -1.851 1.00 0.00 C ATOM 132 CG ARG A 9 -6.008 9.308 -2.562 1.00 0.00 C ATOM 133 CD ARG A 9 -7.025 8.206 -2.816 1.00 0.00 C ATOM 134 NE ARG A 9 -7.581 8.275 -4.165 1.00 0.00 N ATOM 135 CZ ARG A 9 -6.947 7.830 -5.244 1.00 0.00 C ATOM 136 NH1 ARG A 9 -5.742 7.288 -5.133 1.00 0.00 N ATOM 137 NH2 ARG A 9 -7.518 7.928 -6.438 1.00 0.00 N ATOM 0 H ARG A 9 -4.186 10.796 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.214 12.147 -3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.615 10.316 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.687 10.565 -2.140 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.581 9.636 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.188 8.916 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.552 7.235 -2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.832 8.282 -2.087 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.506 8.687 -4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.299 7.212 -4.217 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.258 6.947 -5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.444 8.345 -6.528 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.030 7.586 -7.266 1.00 0.00 H new ATOM 151 N ILE A 10 -5.762 12.951 -0.010 1.00 0.00 N ATOM 152 CA ILE A 10 -6.114 13.922 1.018 1.00 0.00 C ATOM 153 C ILE A 10 -5.850 15.347 0.541 1.00 0.00 C ATOM 154 O ILE A 10 -6.726 16.208 0.608 1.00 0.00 O ATOM 155 CB ILE A 10 -5.329 13.674 2.319 1.00 0.00 C ATOM 156 CG1 ILE A 10 -5.698 12.313 2.912 1.00 0.00 C ATOM 157 CG2 ILE A 10 -5.600 14.786 3.322 1.00 0.00 C ATOM 158 CD1 ILE A 10 -4.885 11.945 4.133 1.00 0.00 C ATOM 0 H ILE A 10 -4.983 12.340 0.235 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.179 13.799 1.217 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.264 13.672 2.088 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.755 12.316 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.562 11.545 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.038 14.596 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.291 15.742 2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.665 14.818 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.201 10.968 4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.828 11.909 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.039 12.692 4.912 1.00 0.00 H new ATOM 170 N LYS A 11 -4.635 15.587 0.059 1.00 0.00 N ATOM 171 CA LYS A 11 -4.254 16.906 -0.433 1.00 0.00 C ATOM 172 C LYS A 11 -5.080 17.291 -1.656 1.00 0.00 C ATOM 173 O LYS A 11 -5.513 18.435 -1.790 1.00 0.00 O ATOM 174 CB LYS A 11 -2.764 16.932 -0.781 1.00 0.00 C ATOM 175 CG LYS A 11 -1.885 16.254 0.255 1.00 0.00 C ATOM 176 CD LYS A 11 -0.410 16.477 -0.033 1.00 0.00 C ATOM 177 CE LYS A 11 -0.058 17.957 -0.021 1.00 0.00 C ATOM 178 NZ LYS A 11 0.370 18.436 -1.365 1.00 0.00 N ATOM 0 H LYS A 11 -3.897 14.885 -0.001 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.449 17.631 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.616 16.445 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.444 17.968 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.125 16.639 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.096 15.185 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.190 15.953 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.159 16.050 -1.004 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.921 18.533 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.741 18.135 0.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.601 19.449 -1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.209 17.904 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.401 18.290 -2.047 1.00 0.00 H new ATOM 192 N ALA A 12 -5.296 16.327 -2.545 1.00 0.00 N ATOM 193 CA ALA A 12 -6.073 16.564 -3.756 1.00 0.00 C ATOM 194 C ALA A 12 -7.534 16.845 -3.423 1.00 0.00 C ATOM 195 O ALA A 12 -8.214 17.577 -4.142 1.00 0.00 O ATOM 196 CB ALA A 12 -5.963 15.372 -4.695 1.00 0.00 C ATOM 0 H ALA A 12 -4.944 15.374 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.665 17.443 -4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.548 15.563 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.919 15.218 -4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.344 14.480 -4.197 1.00 0.00 H new ATOM 202 N ARG A 13 -8.011 16.258 -2.330 1.00 0.00 N ATOM 203 CA ARG A 13 -9.393 16.444 -1.904 1.00 0.00 C ATOM 204 C ARG A 13 -9.555 17.757 -1.143 1.00 0.00 C ATOM 205 O ARG A 13 -10.431 18.564 -1.456 1.00 0.00 O ATOM 206 CB ARG A 13 -9.840 15.274 -1.026 1.00 0.00 C ATOM 207 CG ARG A 13 -10.169 14.015 -1.811 1.00 0.00 C ATOM 208 CD ARG A 13 -11.665 13.885 -2.054 1.00 0.00 C ATOM 209 NE ARG A 13 -12.141 12.524 -1.826 1.00 0.00 N ATOM 210 CZ ARG A 13 -13.332 12.086 -2.219 1.00 0.00 C ATOM 211 NH1 ARG A 13 -14.163 12.898 -2.857 1.00 0.00 N ATOM 212 NH2 ARG A 13 -13.693 10.833 -1.974 1.00 0.00 N ATOM 0 H ARG A 13 -7.461 15.650 -1.724 1.00 0.00 H new ATOM 0 HA ARG A 13 -10.020 16.481 -2.795 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.052 15.048 -0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.717 15.575 -0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.644 14.033 -2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.810 13.141 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.200 14.571 -1.397 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.893 14.182 -3.078 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.525 11.873 -1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.889 13.862 -3.047 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.077 12.559 -3.158 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.056 10.205 -1.484 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.608 10.497 -2.276 1.00 0.00 H new ATOM 226 N VAL A 14 -8.705 17.963 -0.142 1.00 0.00 N ATOM 227 CA VAL A 14 -8.753 19.178 0.663 1.00 0.00 C ATOM 228 C VAL A 14 -8.748 20.422 -0.217 1.00 0.00 C ATOM 229 O VAL A 14 -9.498 21.368 0.021 1.00 0.00 O ATOM 230 CB VAL A 14 -7.566 19.249 1.642 1.00 0.00 C ATOM 231 CG1 VAL A 14 -7.732 18.230 2.759 1.00 0.00 C ATOM 232 CG2 VAL A 14 -6.254 19.035 0.904 1.00 0.00 C ATOM 0 H VAL A 14 -7.975 17.305 0.131 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.682 19.144 1.232 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.546 20.242 2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.884 18.296 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.653 18.435 3.305 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.779 17.228 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.426 19.088 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.261 18.055 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.133 19.808 0.145 1.00 0.00 H new ATOM 242 N GLY A 15 -7.896 20.414 -1.238 1.00 0.00 N ATOM 243 CA GLY A 15 -7.808 21.548 -2.140 1.00 0.00 C ATOM 244 C GLY A 15 -9.073 21.740 -2.954 1.00 0.00 C ATOM 245 O GLY A 15 -9.220 22.738 -3.658 1.00 0.00 O ATOM 0 H GLY A 15 -7.265 19.643 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.609 22.452 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -6.963 21.407 -2.814 1.00 0.00 H new ATOM 249 N ALA A 16 -9.988 20.781 -2.859 1.00 0.00 N ATOM 250 CA ALA A 16 -11.246 20.849 -3.592 1.00 0.00 C ATOM 251 C ALA A 16 -12.437 20.837 -2.640 1.00 0.00 C ATOM 252 O ALA A 16 -13.530 21.281 -2.991 1.00 0.00 O ATOM 253 CB ALA A 16 -11.344 19.696 -4.579 1.00 0.00 C ATOM 0 H ALA A 16 -9.881 19.947 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.266 21.788 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.288 19.759 -5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.517 19.751 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.297 18.750 -4.039 1.00 0.00 H new ATOM 398 N LEU A 26 -12.376 22.999 14.095 1.00 0.00 N ATOM 399 CA LEU A 26 -11.189 23.684 13.595 1.00 0.00 C ATOM 400 C LEU A 26 -9.971 23.362 14.455 1.00 0.00 C ATOM 401 O LEU A 26 -10.007 23.503 15.677 1.00 0.00 O ATOM 402 CB LEU A 26 -11.422 25.196 13.567 1.00 0.00 C ATOM 403 CG LEU A 26 -11.228 25.930 14.894 1.00 0.00 C ATOM 404 CD1 LEU A 26 -11.375 27.431 14.701 1.00 0.00 C ATOM 405 CD2 LEU A 26 -12.218 25.424 15.933 1.00 0.00 C ATOM 0 HA LEU A 26 -10.998 23.333 12.581 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.748 25.634 12.831 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.438 25.380 13.218 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.219 25.729 15.254 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.234 27.936 15.656 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.626 27.782 13.991 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.371 27.653 14.317 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.065 25.958 16.871 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.235 25.595 15.580 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.064 24.357 16.093 1.00 0.00 H new ATOM 417 N GLY A 27 -8.894 22.929 13.808 1.00 0.00 N ATOM 418 CA GLY A 27 -7.679 22.595 14.529 1.00 0.00 C ATOM 419 C GLY A 27 -6.685 21.839 13.671 1.00 0.00 C ATOM 420 O GLY A 27 -6.674 21.981 12.448 1.00 0.00 O ATOM 0 H GLY A 27 -8.841 22.803 12.797 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.215 23.510 14.896 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.932 21.993 15.402 1.00 0.00 H new ATOM 424 N VAL A 28 -5.844 21.033 14.313 1.00 0.00 N ATOM 425 CA VAL A 28 -4.840 20.252 13.601 1.00 0.00 C ATOM 426 C VAL A 28 -4.798 18.816 14.111 1.00 0.00 C ATOM 427 O VAL A 28 -5.071 18.554 15.282 1.00 0.00 O ATOM 428 CB VAL A 28 -3.439 20.877 13.741 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.484 20.280 12.719 1.00 0.00 C ATOM 430 CG2 VAL A 28 -3.514 22.389 13.595 1.00 0.00 C ATOM 0 H VAL A 28 -5.839 20.904 15.325 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.126 20.253 12.549 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.056 20.650 14.736 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.499 20.733 12.833 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.408 19.204 12.877 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.859 20.474 11.714 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.516 22.814 13.697 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.917 22.640 12.614 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.163 22.798 14.370 1.00 0.00 H new ATOM 440 N PHE A 29 -4.452 17.889 13.224 1.00 0.00 N ATOM 441 CA PHE A 29 -4.374 16.478 13.584 1.00 0.00 C ATOM 442 C PHE A 29 -3.008 15.900 13.227 1.00 0.00 C ATOM 443 O PHE A 29 -2.291 16.448 12.390 1.00 0.00 O ATOM 444 CB PHE A 29 -5.476 15.687 12.876 1.00 0.00 C ATOM 445 CG PHE A 29 -6.685 15.444 13.732 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.279 16.486 14.427 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.228 14.174 13.844 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.392 16.266 15.216 1.00 0.00 C ATOM 449 CE2 PHE A 29 -8.341 13.949 14.631 1.00 0.00 C ATOM 450 CZ PHE A 29 -8.924 14.996 15.319 1.00 0.00 C ATOM 0 H PHE A 29 -4.221 18.089 12.251 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.513 16.396 14.662 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.779 16.226 11.978 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.072 14.728 12.551 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.867 17.481 14.351 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.776 13.351 13.310 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.845 17.087 15.752 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.755 12.955 14.708 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.793 14.821 15.936 1.00 0.00 H new ATOM 460 N GLN A 30 -2.654 14.791 13.869 1.00 0.00 N ATOM 461 CA GLN A 30 -1.374 14.140 13.620 1.00 0.00 C ATOM 462 C GLN A 30 -1.572 12.677 13.238 1.00 0.00 C ATOM 463 O GLN A 30 -1.879 11.839 14.087 1.00 0.00 O ATOM 464 CB GLN A 30 -0.478 14.240 14.856 1.00 0.00 C ATOM 465 CG GLN A 30 0.965 13.840 14.595 1.00 0.00 C ATOM 466 CD GLN A 30 1.522 14.459 13.328 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.181 15.587 12.973 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.385 13.721 12.639 1.00 0.00 N ATOM 0 H GLN A 30 -3.236 14.325 14.565 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.891 14.651 12.787 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.501 15.264 15.229 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.886 13.605 15.643 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.580 14.141 15.443 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.030 12.754 14.523 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.639 12.791 12.971 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.794 14.085 11.778 1.00 0.00 H new ATOM 477 N LEU A 31 -1.396 12.376 11.956 1.00 0.00 N ATOM 478 CA LEU A 31 -1.556 11.013 11.461 1.00 0.00 C ATOM 479 C LEU A 31 -0.214 10.291 11.411 1.00 0.00 C ATOM 480 O LEU A 31 0.825 10.906 11.177 1.00 0.00 O ATOM 481 CB LEU A 31 -2.193 11.027 10.070 1.00 0.00 C ATOM 482 CG LEU A 31 -3.667 11.430 10.010 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.978 12.121 8.692 1.00 0.00 C ATOM 484 CD2 LEU A 31 -4.560 10.213 10.200 1.00 0.00 C ATOM 0 H LEU A 31 -1.142 13.057 11.240 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.210 10.477 12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.624 11.710 9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.091 10.032 9.636 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.866 12.132 10.820 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.031 12.400 8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.363 13.016 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.763 11.443 7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.605 10.518 10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.359 9.488 9.412 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.356 9.760 11.170 1.00 0.00 H new ATOM 496 N ASN A 32 -0.245 8.980 11.632 1.00 0.00 N ATOM 497 CA ASN A 32 0.970 8.173 11.610 1.00 0.00 C ATOM 498 C ASN A 32 0.724 6.840 10.911 1.00 0.00 C ATOM 499 O ASN A 32 -0.186 6.095 11.275 1.00 0.00 O ATOM 500 CB ASN A 32 1.470 7.929 13.036 1.00 0.00 C ATOM 501 CG ASN A 32 1.205 9.109 13.951 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.517 10.252 13.616 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.626 8.836 15.115 1.00 0.00 N ATOM 0 H ASN A 32 -1.097 8.455 11.828 1.00 0.00 H new ATOM 0 HA ASN A 32 1.731 8.720 11.053 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.984 7.042 13.442 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.540 7.724 13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 32 0.423 9.589 15.773 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.385 7.874 15.351 1.00 0.00 H new ATOM 510 N ILE A 33 1.542 6.546 9.906 1.00 0.00 N ATOM 511 CA ILE A 33 1.415 5.302 9.156 1.00 0.00 C ATOM 512 C ILE A 33 2.366 4.238 9.693 1.00 0.00 C ATOM 513 O ILE A 33 3.552 4.225 9.363 1.00 0.00 O ATOM 514 CB ILE A 33 1.696 5.517 7.657 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.182 6.887 7.211 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.054 4.410 6.834 1.00 0.00 C ATOM 517 CD1 ILE A 33 -0.312 7.056 7.379 1.00 0.00 C ATOM 0 H ILE A 33 2.300 7.152 9.592 1.00 0.00 H new ATOM 0 HA ILE A 33 0.387 4.962 9.279 1.00 0.00 H new ATOM 0 HB ILE A 33 2.774 5.484 7.496 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.694 7.662 7.782 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.441 7.040 6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.261 4.576 5.777 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.464 3.447 7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.024 4.414 6.997 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.606 8.050 7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.832 6.304 6.786 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.576 6.935 8.430 1.00 0.00 H new ATOM 529 N LYS A 34 1.837 3.343 10.521 1.00 0.00 N ATOM 530 CA LYS A 34 2.636 2.271 11.102 1.00 0.00 C ATOM 531 C LYS A 34 2.983 1.221 10.052 1.00 0.00 C ATOM 532 O LYS A 34 2.167 0.358 9.728 1.00 0.00 O ATOM 533 CB LYS A 34 1.884 1.617 12.263 1.00 0.00 C ATOM 534 CG LYS A 34 2.764 1.308 13.461 1.00 0.00 C ATOM 535 CD LYS A 34 2.044 0.429 14.470 1.00 0.00 C ATOM 536 CE LYS A 34 3.009 -0.503 15.186 1.00 0.00 C ATOM 537 NZ LYS A 34 3.548 0.108 16.433 1.00 0.00 N ATOM 0 H LYS A 34 0.857 3.339 10.805 1.00 0.00 H new ATOM 0 HA LYS A 34 3.563 2.705 11.477 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.075 2.276 12.578 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.424 0.693 11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.674 0.809 13.126 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.068 2.239 13.940 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.532 1.056 15.200 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.279 -0.158 13.962 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.500 -1.436 15.429 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.834 -0.754 14.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.202 -0.558 16.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.056 0.985 16.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.764 0.325 17.081 1.00 0.00 H new ATOM 551 N THR A 35 4.201 1.299 9.523 1.00 0.00 N ATOM 552 CA THR A 35 4.656 0.355 8.510 1.00 0.00 C ATOM 553 C THR A 35 5.703 -0.597 9.076 1.00 0.00 C ATOM 554 O THR A 35 6.045 -0.528 10.256 1.00 0.00 O ATOM 555 CB THR A 35 5.248 1.084 7.289 1.00 0.00 C ATOM 556 OG1 THR A 35 6.549 1.591 7.605 1.00 0.00 O ATOM 557 CG2 THR A 35 4.345 2.227 6.851 1.00 0.00 C ATOM 0 H THR A 35 4.889 2.006 9.780 1.00 0.00 H new ATOM 0 HA THR A 35 3.783 -0.216 8.195 1.00 0.00 H new ATOM 0 HB THR A 35 5.326 0.370 6.469 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.919 2.052 6.823 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.784 2.727 5.987 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.364 1.834 6.583 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.239 2.941 7.668 1.00 0.00 H new ATOM 565 N ALA A 36 6.210 -1.485 8.227 1.00 0.00 N ATOM 566 CA ALA A 36 7.221 -2.449 8.643 1.00 0.00 C ATOM 567 C ALA A 36 8.594 -1.794 8.745 1.00 0.00 C ATOM 568 O ALA A 36 9.476 -2.286 9.450 1.00 0.00 O ATOM 569 CB ALA A 36 7.264 -3.620 7.672 1.00 0.00 C ATOM 0 H ALA A 36 5.937 -1.557 7.247 1.00 0.00 H new ATOM 0 HA ALA A 36 6.950 -2.820 9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.023 -4.332 7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.291 -4.111 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.508 -3.256 6.674 1.00 0.00 H new ATOM 575 N SER A 37 8.770 -0.683 8.038 1.00 0.00 N ATOM 576 CA SER A 37 10.038 0.036 8.046 1.00 0.00 C ATOM 577 C SER A 37 10.081 1.049 9.186 1.00 0.00 C ATOM 578 O SER A 37 11.154 1.458 9.628 1.00 0.00 O ATOM 579 CB SER A 37 10.254 0.748 6.709 1.00 0.00 C ATOM 580 OG SER A 37 9.441 0.184 5.694 1.00 0.00 O ATOM 0 H SER A 37 8.050 -0.261 7.452 1.00 0.00 H new ATOM 0 HA SER A 37 10.837 -0.690 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.024 1.808 6.817 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.303 0.677 6.421 1.00 0.00 H new ATOM 0 HG SER A 37 9.596 0.657 4.850 1.00 0.00 H new ATOM 586 N GLY A 38 8.904 1.450 9.658 1.00 0.00 N ATOM 587 CA GLY A 38 8.829 2.411 10.743 1.00 0.00 C ATOM 588 C GLY A 38 7.452 3.032 10.872 1.00 0.00 C ATOM 589 O GLY A 38 6.442 2.328 10.865 1.00 0.00 O ATOM 0 H GLY A 38 8.002 1.127 9.309 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.092 1.919 11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.565 3.198 10.579 1.00 0.00 H new ATOM 593 N VAL A 39 7.410 4.355 10.992 1.00 0.00 N ATOM 594 CA VAL A 39 6.147 5.072 11.124 1.00 0.00 C ATOM 595 C VAL A 39 6.202 6.419 10.412 1.00 0.00 C ATOM 596 O VAL A 39 6.961 7.306 10.800 1.00 0.00 O ATOM 597 CB VAL A 39 5.783 5.299 12.603 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.710 6.370 12.730 1.00 0.00 C ATOM 599 CG2 VAL A 39 5.328 3.998 13.246 1.00 0.00 C ATOM 0 H VAL A 39 8.237 4.953 11.001 1.00 0.00 H new ATOM 0 HA VAL A 39 5.381 4.451 10.660 1.00 0.00 H new ATOM 0 HB VAL A 39 6.673 5.645 13.129 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.465 6.517 13.782 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.078 7.306 12.309 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.817 6.056 12.190 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.075 4.178 14.291 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.451 3.619 12.720 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.131 3.263 13.188 1.00 0.00 H new ATOM 609 N GLU A 40 5.392 6.564 9.368 1.00 0.00 N ATOM 610 CA GLU A 40 5.349 7.803 8.602 1.00 0.00 C ATOM 611 C GLU A 40 4.383 8.801 9.235 1.00 0.00 C ATOM 612 O GLU A 40 3.169 8.600 9.219 1.00 0.00 O ATOM 613 CB GLU A 40 4.933 7.521 7.156 1.00 0.00 C ATOM 614 CG GLU A 40 6.107 7.296 6.219 1.00 0.00 C ATOM 615 CD GLU A 40 6.197 8.350 5.132 1.00 0.00 C ATOM 616 OE1 GLU A 40 5.822 9.510 5.400 1.00 0.00 O ATOM 617 OE2 GLU A 40 6.643 8.015 4.015 1.00 0.00 O ATOM 0 H GLU A 40 4.757 5.839 9.034 1.00 0.00 H new ATOM 0 HA GLU A 40 6.349 8.238 8.607 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.290 6.641 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.340 8.358 6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.032 7.294 6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.016 6.312 5.759 1.00 0.00 H new ATOM 624 N GLN A 41 4.933 9.876 9.791 1.00 0.00 N ATOM 625 CA GLN A 41 4.120 10.904 10.431 1.00 0.00 C ATOM 626 C GLN A 41 3.658 11.943 9.415 1.00 0.00 C ATOM 627 O GLN A 41 4.399 12.303 8.501 1.00 0.00 O ATOM 628 CB GLN A 41 4.910 11.584 11.551 1.00 0.00 C ATOM 629 CG GLN A 41 5.553 10.608 12.522 1.00 0.00 C ATOM 630 CD GLN A 41 5.039 10.771 13.939 1.00 0.00 C ATOM 631 OE1 GLN A 41 5.443 11.687 14.656 1.00 0.00 O ATOM 632 NE2 GLN A 41 4.144 9.881 14.351 1.00 0.00 N ATOM 0 H GLN A 41 5.936 10.058 9.811 1.00 0.00 H new ATOM 0 HA GLN A 41 3.240 10.423 10.857 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.687 12.208 11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.244 12.247 12.103 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.363 9.589 12.186 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.634 10.751 12.513 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.837 9.138 13.723 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.763 9.940 15.295 1.00 0.00 H new ATOM 641 N TRP A 42 2.430 12.420 9.581 1.00 0.00 N ATOM 642 CA TRP A 42 1.869 13.417 8.677 1.00 0.00 C ATOM 643 C TRP A 42 1.085 14.473 9.450 1.00 0.00 C ATOM 644 O TRP A 42 0.460 14.173 10.467 1.00 0.00 O ATOM 645 CB TRP A 42 0.962 12.747 7.643 1.00 0.00 C ATOM 646 CG TRP A 42 1.717 12.105 6.519 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.037 10.783 6.396 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.249 12.758 5.361 1.00 0.00 C ATOM 649 NE1 TRP A 42 2.735 10.575 5.231 1.00 0.00 N ATOM 650 CE2 TRP A 42 2.877 11.770 4.577 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.253 14.080 4.908 1.00 0.00 C ATOM 652 CZ2 TRP A 42 3.504 12.066 3.369 1.00 0.00 C ATOM 653 CZ3 TRP A 42 2.875 14.372 3.709 1.00 0.00 C ATOM 654 CH2 TRP A 42 3.493 13.368 2.951 1.00 0.00 C ATOM 0 H TRP A 42 1.804 12.133 10.333 1.00 0.00 H new ATOM 0 HA TRP A 42 2.694 13.908 8.162 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.352 11.992 8.140 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.278 13.491 7.234 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.779 10.014 7.109 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.090 9.676 4.906 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.778 14.860 5.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.982 11.295 2.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.885 15.391 3.350 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.970 13.628 2.018 1.00 0.00 H new ATOM 665 N ILE A 43 1.123 15.708 8.961 1.00 0.00 N ATOM 666 CA ILE A 43 0.415 16.806 9.606 1.00 0.00 C ATOM 667 C ILE A 43 -0.754 17.284 8.752 1.00 0.00 C ATOM 668 O ILE A 43 -0.617 17.475 7.543 1.00 0.00 O ATOM 669 CB ILE A 43 1.353 17.995 9.884 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.518 17.557 10.774 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.584 19.137 10.532 1.00 0.00 C ATOM 672 CD1 ILE A 43 3.842 18.175 10.384 1.00 0.00 C ATOM 0 H ILE A 43 1.637 15.973 8.120 1.00 0.00 H new ATOM 0 HA ILE A 43 0.037 16.423 10.554 1.00 0.00 H new ATOM 0 HB ILE A 43 1.758 18.348 8.936 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.294 17.820 11.808 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.607 16.471 10.734 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.261 19.970 10.722 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.214 19.463 9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.153 18.797 11.474 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.622 17.820 11.058 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.089 17.891 9.361 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.771 19.261 10.452 1.00 0.00 H new ATOM 684 N VAL A 44 -1.905 17.477 9.388 1.00 0.00 N ATOM 685 CA VAL A 44 -3.098 17.936 8.687 1.00 0.00 C ATOM 686 C VAL A 44 -3.837 18.997 9.495 1.00 0.00 C ATOM 687 O VAL A 44 -3.986 18.874 10.711 1.00 0.00 O ATOM 688 CB VAL A 44 -4.060 16.769 8.393 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.925 16.470 9.608 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.922 17.083 7.179 1.00 0.00 C ATOM 0 H VAL A 44 -2.036 17.323 10.388 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.764 18.369 7.744 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.469 15.881 8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.598 15.643 9.381 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.288 16.199 10.450 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.510 17.353 9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.596 16.248 6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.506 17.983 7.370 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.283 17.243 6.310 1.00 0.00 H new ATOM 700 N ASP A 45 -4.297 20.039 8.811 1.00 0.00 N ATOM 701 CA ASP A 45 -5.022 21.122 9.465 1.00 0.00 C ATOM 702 C ASP A 45 -6.488 21.127 9.044 1.00 0.00 C ATOM 703 O ASP A 45 -6.803 21.167 7.854 1.00 0.00 O ATOM 704 CB ASP A 45 -4.378 22.469 9.132 1.00 0.00 C ATOM 705 CG ASP A 45 -4.578 23.494 10.231 1.00 0.00 C ATOM 706 OD1 ASP A 45 -3.569 24.039 10.725 1.00 0.00 O ATOM 707 OD2 ASP A 45 -5.744 23.752 10.596 1.00 0.00 O ATOM 0 H ASP A 45 -4.181 20.156 7.804 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.973 20.961 10.542 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.311 22.326 8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.800 22.850 8.202 1.00 0.00 H new ATOM 712 N LEU A 46 -7.381 21.085 10.027 1.00 0.00 N ATOM 713 CA LEU A 46 -8.815 21.084 9.758 1.00 0.00 C ATOM 714 C LEU A 46 -9.284 22.460 9.295 1.00 0.00 C ATOM 715 O LEU A 46 -9.946 22.588 8.266 1.00 0.00 O ATOM 716 CB LEU A 46 -9.588 20.664 11.010 1.00 0.00 C ATOM 717 CG LEU A 46 -9.460 19.196 11.416 1.00 0.00 C ATOM 718 CD1 LEU A 46 -8.032 18.881 11.837 1.00 0.00 C ATOM 719 CD2 LEU A 46 -10.433 18.866 12.539 1.00 0.00 C ATOM 0 H LEU A 46 -7.138 21.051 11.017 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.009 20.367 8.960 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.253 21.281 11.844 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.643 20.886 10.853 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.708 18.578 10.553 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.960 17.832 12.123 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.356 19.078 11.005 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.756 19.508 12.685 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.328 17.817 12.815 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.216 19.492 13.404 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -11.453 19.052 12.203 1.00 0.00 H new ATOM 731 N LYS A 47 -8.933 23.487 10.061 1.00 0.00 N ATOM 732 CA LYS A 47 -9.314 24.855 9.729 1.00 0.00 C ATOM 733 C LYS A 47 -9.173 25.111 8.232 1.00 0.00 C ATOM 734 O LYS A 47 -10.164 25.324 7.534 1.00 0.00 O ATOM 735 CB LYS A 47 -8.453 25.850 10.510 1.00 0.00 C ATOM 736 CG LYS A 47 -8.260 25.473 11.969 1.00 0.00 C ATOM 737 CD LYS A 47 -8.415 26.679 12.881 1.00 0.00 C ATOM 738 CE LYS A 47 -7.065 27.270 13.258 1.00 0.00 C ATOM 739 NZ LYS A 47 -6.636 28.326 12.300 1.00 0.00 N ATOM 0 H LYS A 47 -8.385 23.398 10.917 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.359 24.992 10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.477 25.927 10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.913 26.837 10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.986 24.709 12.248 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.270 25.037 12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.019 27.438 12.383 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.951 26.387 13.784 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.120 27.691 14.262 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.316 26.478 13.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.712 28.704 12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.559 27.919 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.337 29.094 12.293 1.00 0.00 H new ATOM 753 N GLN A 48 -7.936 25.086 7.746 1.00 0.00 N ATOM 754 CA GLN A 48 -7.668 25.315 6.331 1.00 0.00 C ATOM 755 C GLN A 48 -7.554 23.993 5.578 1.00 0.00 C ATOM 756 O GLN A 48 -7.901 22.935 6.104 1.00 0.00 O ATOM 757 CB GLN A 48 -6.382 26.125 6.159 1.00 0.00 C ATOM 758 CG GLN A 48 -6.300 27.338 7.072 1.00 0.00 C ATOM 759 CD GLN A 48 -5.035 28.146 6.858 1.00 0.00 C ATOM 760 OE1 GLN A 48 -4.075 28.032 7.621 1.00 0.00 O ATOM 761 NE2 GLN A 48 -5.028 28.968 5.815 1.00 0.00 N ATOM 0 H GLN A 48 -7.105 24.910 8.310 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.503 25.879 5.915 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.526 25.478 6.351 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.306 26.455 5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.167 27.976 6.901 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.346 27.010 8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.846 29.030 5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.204 29.537 5.620 1.00 0.00 H new ATOM 770 N LEU A 49 -7.068 24.062 4.344 1.00 0.00 N ATOM 771 CA LEU A 49 -6.909 22.870 3.517 1.00 0.00 C ATOM 772 C LEU A 49 -5.453 22.686 3.101 1.00 0.00 C ATOM 773 O LEU A 49 -5.122 22.745 1.917 1.00 0.00 O ATOM 774 CB LEU A 49 -7.798 22.964 2.276 1.00 0.00 C ATOM 775 CG LEU A 49 -9.305 22.898 2.523 1.00 0.00 C ATOM 776 CD1 LEU A 49 -9.675 21.596 3.217 1.00 0.00 C ATOM 777 CD2 LEU A 49 -9.764 24.092 3.346 1.00 0.00 C ATOM 0 H LEU A 49 -6.777 24.930 3.894 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.211 22.005 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.575 23.900 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.526 22.156 1.597 1.00 0.00 H new ATOM 0 HG LEU A 49 -9.813 22.930 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.752 21.566 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -9.382 20.754 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.157 21.534 4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.839 24.028 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -9.248 24.092 4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.534 25.013 2.811 1.00 0.00 H new ATOM 789 N LYS A 50 -4.587 22.460 4.083 1.00 0.00 N ATOM 790 CA LYS A 50 -3.166 22.263 3.821 1.00 0.00 C ATOM 791 C LYS A 50 -2.705 20.897 4.319 1.00 0.00 C ATOM 792 O LYS A 50 -3.398 20.243 5.099 1.00 0.00 O ATOM 793 CB LYS A 50 -2.345 23.366 4.491 1.00 0.00 C ATOM 794 CG LYS A 50 -2.478 23.390 6.004 1.00 0.00 C ATOM 795 CD LYS A 50 -1.795 24.607 6.605 1.00 0.00 C ATOM 796 CE LYS A 50 -0.602 24.211 7.461 1.00 0.00 C ATOM 797 NZ LYS A 50 0.111 25.400 8.003 1.00 0.00 N ATOM 0 H LYS A 50 -4.845 22.409 5.069 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.011 22.308 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.295 23.236 4.229 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.656 24.332 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.533 23.392 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.042 22.483 6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.466 25.272 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.510 25.164 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.939 23.583 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.089 23.613 6.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.917 25.088 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.455 25.987 7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.541 25.957 8.591 1.00 0.00 H new ATOM 811 N VAL A 51 -1.530 20.473 3.867 1.00 0.00 N ATOM 812 CA VAL A 51 -0.975 19.186 4.269 1.00 0.00 C ATOM 813 C VAL A 51 0.546 19.247 4.359 1.00 0.00 C ATOM 814 O VAL A 51 1.215 19.698 3.429 1.00 0.00 O ATOM 815 CB VAL A 51 -1.375 18.070 3.286 1.00 0.00 C ATOM 816 CG1 VAL A 51 -0.593 16.798 3.575 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.873 17.811 3.355 1.00 0.00 C ATOM 0 H VAL A 51 -0.943 21.002 3.222 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.386 18.958 5.253 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.131 18.396 2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.889 16.021 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.474 16.995 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.803 16.465 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.138 17.020 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.143 17.506 4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.412 18.722 3.095 1.00 0.00 H new ATOM 827 N ASP A 52 1.085 18.791 5.484 1.00 0.00 N ATOM 828 CA ASP A 52 2.528 18.792 5.696 1.00 0.00 C ATOM 829 C ASP A 52 3.010 17.422 6.164 1.00 0.00 C ATOM 830 O ASP A 52 2.234 16.631 6.699 1.00 0.00 O ATOM 831 CB ASP A 52 2.914 19.860 6.721 1.00 0.00 C ATOM 832 CG ASP A 52 1.947 21.028 6.732 1.00 0.00 C ATOM 833 OD1 ASP A 52 0.910 20.933 7.421 1.00 0.00 O ATOM 834 OD2 ASP A 52 2.228 22.036 6.052 1.00 0.00 O ATOM 0 H ASP A 52 0.545 18.416 6.263 1.00 0.00 H new ATOM 0 HA ASP A 52 3.010 19.021 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.948 19.411 7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.917 20.225 6.501 1.00 0.00 H new ATOM 839 N GLN A 53 4.294 17.150 5.957 1.00 0.00 N ATOM 840 CA GLN A 53 4.878 15.875 6.356 1.00 0.00 C ATOM 841 C GLN A 53 5.698 16.028 7.633 1.00 0.00 C ATOM 842 O GLN A 53 6.473 16.972 7.775 1.00 0.00 O ATOM 843 CB GLN A 53 5.757 15.319 5.234 1.00 0.00 C ATOM 844 CG GLN A 53 5.776 13.800 5.173 1.00 0.00 C ATOM 845 CD GLN A 53 6.430 13.275 3.910 1.00 0.00 C ATOM 846 OE1 GLN A 53 6.657 14.023 2.958 1.00 0.00 O ATOM 847 NE2 GLN A 53 6.736 11.983 3.894 1.00 0.00 N ATOM 0 H GLN A 53 4.950 17.795 5.516 1.00 0.00 H new ATOM 0 HA GLN A 53 4.064 15.176 6.550 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.403 15.708 4.279 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.776 15.682 5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.308 13.412 6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.754 13.425 5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.530 11.400 4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.177 11.574 3.070 1.00 0.00 H new ATOM 856 N GLY A 54 5.522 15.091 8.560 1.00 0.00 N ATOM 857 CA GLY A 54 6.252 15.141 9.813 1.00 0.00 C ATOM 858 C GLY A 54 5.334 15.183 11.018 1.00 0.00 C ATOM 859 O GLY A 54 4.165 14.805 10.931 1.00 0.00 O ATOM 0 H GLY A 54 4.887 14.298 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.902 14.269 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.896 16.021 9.820 1.00 0.00 H new ATOM 863 N VAL A 55 5.862 15.644 12.147 1.00 0.00 N ATOM 864 CA VAL A 55 5.082 15.734 13.376 1.00 0.00 C ATOM 865 C VAL A 55 4.890 17.186 13.799 1.00 0.00 C ATOM 866 O VAL A 55 5.855 17.889 14.102 1.00 0.00 O ATOM 867 CB VAL A 55 5.755 14.960 14.525 1.00 0.00 C ATOM 868 CG1 VAL A 55 7.175 15.458 14.745 1.00 0.00 C ATOM 869 CG2 VAL A 55 4.934 15.083 15.801 1.00 0.00 C ATOM 0 H VAL A 55 6.827 15.961 12.236 1.00 0.00 H new ATOM 0 HA VAL A 55 4.110 15.288 13.168 1.00 0.00 H new ATOM 0 HB VAL A 55 5.804 13.906 14.251 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.634 14.899 15.561 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.756 15.314 13.834 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.154 16.518 14.998 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.423 14.530 16.603 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.852 16.133 16.081 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.938 14.674 15.634 1.00 0.00 H new ATOM 879 N PHE A 56 3.638 17.630 13.819 1.00 0.00 N ATOM 880 CA PHE A 56 3.318 18.999 14.206 1.00 0.00 C ATOM 881 C PHE A 56 3.937 19.341 15.558 1.00 0.00 C ATOM 882 O PHE A 56 4.065 18.482 16.429 1.00 0.00 O ATOM 883 CB PHE A 56 1.801 19.195 14.262 1.00 0.00 C ATOM 884 CG PHE A 56 1.376 20.627 14.110 1.00 0.00 C ATOM 885 CD1 PHE A 56 1.876 21.407 13.081 1.00 0.00 C ATOM 886 CD2 PHE A 56 0.475 21.194 14.998 1.00 0.00 C ATOM 887 CE1 PHE A 56 1.486 22.726 12.938 1.00 0.00 C ATOM 888 CE2 PHE A 56 0.081 22.511 14.860 1.00 0.00 C ATOM 889 CZ PHE A 56 0.588 23.278 13.830 1.00 0.00 C ATOM 0 H PHE A 56 2.828 17.062 13.572 1.00 0.00 H new ATOM 0 HA PHE A 56 3.736 19.669 13.455 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.337 18.601 13.475 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.428 18.812 15.212 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.579 20.980 12.381 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.077 20.599 15.807 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.883 23.323 12.130 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.623 22.940 15.557 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.283 24.308 13.722 1.00 0.00 H new ATOM 899 N ALA A 57 4.319 20.603 15.725 1.00 0.00 N ATOM 900 CA ALA A 57 4.922 21.060 16.970 1.00 0.00 C ATOM 901 C ALA A 57 3.989 20.823 18.152 1.00 0.00 C ATOM 902 O ALA A 57 4.439 20.638 19.283 1.00 0.00 O ATOM 903 CB ALA A 57 5.286 22.534 16.871 1.00 0.00 C ATOM 0 H ALA A 57 4.221 21.327 15.013 1.00 0.00 H new ATOM 0 HA ALA A 57 5.831 20.483 17.137 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.735 22.862 17.808 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.997 22.679 16.057 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.387 23.119 16.676 1.00 0.00 H new ATOM 909 N SER A 58 2.687 20.829 17.883 1.00 0.00 N ATOM 910 CA SER A 58 1.690 20.619 18.926 1.00 0.00 C ATOM 911 C SER A 58 0.309 20.391 18.319 1.00 0.00 C ATOM 912 O SER A 58 -0.553 21.270 18.325 1.00 0.00 O ATOM 913 CB SER A 58 1.651 21.819 19.874 1.00 0.00 C ATOM 914 OG SER A 58 1.074 21.467 21.120 1.00 0.00 O ATOM 0 H SER A 58 2.298 20.977 16.952 1.00 0.00 H new ATOM 0 HA SER A 58 1.972 19.730 19.489 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.662 22.195 20.031 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.078 22.627 19.420 1.00 0.00 H new ATOM 0 HG SER A 58 1.062 22.251 21.708 1.00 0.00 H new ATOM 920 N PRO A 59 0.092 19.181 17.782 1.00 0.00 N ATOM 921 CA PRO A 59 -1.182 18.808 17.161 1.00 0.00 C ATOM 922 C PRO A 59 -2.305 18.663 18.183 1.00 0.00 C ATOM 923 O PRO A 59 -2.053 18.478 19.373 1.00 0.00 O ATOM 924 CB PRO A 59 -0.877 17.458 16.508 1.00 0.00 C ATOM 925 CG PRO A 59 0.256 16.902 17.300 1.00 0.00 C ATOM 926 CD PRO A 59 1.074 18.085 17.739 1.00 0.00 C ATOM 0 HA PRO A 59 -1.531 19.567 16.461 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.744 16.798 16.540 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.606 17.578 15.459 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.108 16.339 18.159 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.853 16.216 16.699 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.532 17.917 18.714 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.882 18.297 17.039 1.00 0.00 H new ATOM 934 N ASP A 60 -3.543 18.749 17.710 1.00 0.00 N ATOM 935 CA ASP A 60 -4.705 18.626 18.583 1.00 0.00 C ATOM 936 C ASP A 60 -4.959 17.167 18.947 1.00 0.00 C ATOM 937 O ASP A 60 -5.389 16.859 20.059 1.00 0.00 O ATOM 938 CB ASP A 60 -5.942 19.219 17.907 1.00 0.00 C ATOM 939 CG ASP A 60 -6.788 20.037 18.864 1.00 0.00 C ATOM 940 OD1 ASP A 60 -7.618 20.839 18.385 1.00 0.00 O ATOM 941 OD2 ASP A 60 -6.621 19.875 20.090 1.00 0.00 O ATOM 0 H ASP A 60 -3.768 18.903 16.727 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.501 19.180 19.499 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.630 19.848 17.073 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.546 18.413 17.490 1.00 0.00 H new ATOM 946 N VAL A 61 -4.692 16.271 18.001 1.00 0.00 N ATOM 947 CA VAL A 61 -4.892 14.844 18.222 1.00 0.00 C ATOM 948 C VAL A 61 -3.830 14.022 17.500 1.00 0.00 C ATOM 949 O VAL A 61 -3.294 14.443 16.475 1.00 0.00 O ATOM 950 CB VAL A 61 -6.286 14.392 17.747 1.00 0.00 C ATOM 951 CG1 VAL A 61 -6.570 12.968 18.201 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.357 15.346 18.255 1.00 0.00 C ATOM 0 H VAL A 61 -4.337 16.509 17.075 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.810 14.676 19.296 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.303 14.410 16.657 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.559 12.667 17.856 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.820 12.297 17.783 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.535 12.919 19.289 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.335 15.012 17.910 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.343 15.362 19.345 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.161 16.349 17.875 1.00 0.00 H new ATOM 962 N THR A 62 -3.530 12.846 18.042 1.00 0.00 N ATOM 963 CA THR A 62 -2.532 11.964 17.451 1.00 0.00 C ATOM 964 C THR A 62 -3.097 10.566 17.225 1.00 0.00 C ATOM 965 O THR A 62 -3.190 9.766 18.156 1.00 0.00 O ATOM 966 CB THR A 62 -1.277 11.861 18.338 1.00 0.00 C ATOM 967 OG1 THR A 62 -0.904 13.160 18.811 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.119 11.244 17.568 1.00 0.00 C ATOM 0 H THR A 62 -3.965 12.482 18.890 1.00 0.00 H new ATOM 0 HA THR A 62 -2.255 12.400 16.491 1.00 0.00 H new ATOM 0 HB THR A 62 -1.511 11.219 19.187 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.106 13.086 19.376 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.756 11.182 18.215 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.396 10.244 17.234 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.114 11.864 16.702 1.00 0.00 H new ATOM 976 N VAL A 63 -3.473 10.278 15.983 1.00 0.00 N ATOM 977 CA VAL A 63 -4.027 8.975 15.635 1.00 0.00 C ATOM 978 C VAL A 63 -2.977 8.089 14.976 1.00 0.00 C ATOM 979 O VAL A 63 -2.143 8.563 14.204 1.00 0.00 O ATOM 980 CB VAL A 63 -5.234 9.114 14.688 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.768 9.238 13.245 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.178 7.933 14.853 1.00 0.00 C ATOM 0 H VAL A 63 -3.404 10.929 15.201 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.356 8.512 16.565 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.777 10.023 14.949 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.634 9.335 12.590 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.134 10.119 13.142 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.202 8.349 12.968 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.025 8.047 14.177 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.649 7.009 14.619 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.537 7.895 15.881 1.00 0.00 H new ATOM 992 N THR A 64 -3.022 6.797 15.285 1.00 0.00 N ATOM 993 CA THR A 64 -2.074 5.843 14.724 1.00 0.00 C ATOM 994 C THR A 64 -2.795 4.710 14.003 1.00 0.00 C ATOM 995 O THR A 64 -3.682 4.067 14.566 1.00 0.00 O ATOM 996 CB THR A 64 -1.165 5.246 15.815 1.00 0.00 C ATOM 997 OG1 THR A 64 -0.720 6.278 16.701 1.00 0.00 O ATOM 998 CG2 THR A 64 0.037 4.549 15.196 1.00 0.00 C ATOM 0 H THR A 64 -3.706 6.387 15.921 1.00 0.00 H new ATOM 0 HA THR A 64 -1.460 6.391 14.010 1.00 0.00 H new ATOM 0 HB THR A 64 -1.743 4.511 16.376 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.144 5.890 17.392 1.00 0.00 H new ATOM 0 HG21 THR A 64 0.664 4.135 15.986 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.304 3.744 14.545 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.614 5.267 14.613 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.409 4.468 12.754 1.00 0.00 N ATOM 1007 CA VAL A 65 -3.019 3.411 11.957 1.00 0.00 C ATOM 1008 C VAL A 65 -1.976 2.694 11.106 1.00 0.00 C ATOM 1009 O VAL A 65 -0.859 3.181 10.934 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.122 3.966 11.037 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -5.400 4.214 11.825 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -3.653 5.241 10.352 1.00 0.00 C ATOM 0 H VAL A 65 -1.677 4.990 12.273 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.463 2.703 12.657 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.336 3.225 10.267 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.168 4.606 11.158 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.744 3.278 12.264 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.204 4.936 12.618 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.445 5.619 9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.410 5.991 11.105 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.767 5.028 9.754 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.350 1.534 10.574 1.00 0.00 N ATOM 1023 CA GLY A 66 -1.436 0.769 9.747 1.00 0.00 C ATOM 1024 C GLY A 66 -1.531 1.141 8.280 1.00 0.00 C ATOM 1025 O GLY A 66 -2.626 1.348 7.754 1.00 0.00 O ATOM 0 H GLY A 66 -3.269 1.111 10.701 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.415 0.930 10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.648 -0.294 9.864 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.383 1.229 7.618 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.341 1.581 6.203 1.00 0.00 C ATOM 1031 C LEU A 67 -1.318 0.727 5.400 1.00 0.00 C ATOM 1032 O LEU A 67 -1.873 1.179 4.400 1.00 0.00 O ATOM 1033 CB LEU A 67 1.077 1.405 5.655 1.00 0.00 C ATOM 1034 CG LEU A 67 1.528 -0.036 5.412 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.826 -0.061 4.619 1.00 0.00 C ATOM 1036 CD2 LEU A 67 1.693 -0.774 6.732 1.00 0.00 C ATOM 0 H LEU A 67 0.531 1.062 8.038 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.635 2.626 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.152 1.952 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.775 1.871 6.351 1.00 0.00 H new ATOM 0 HG LEU A 67 0.759 -0.544 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.132 -1.094 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.674 0.429 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.603 0.464 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.014 -1.798 6.539 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.442 -0.267 7.341 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.741 -0.787 7.263 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.523 -0.507 5.848 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.435 -1.423 5.171 1.00 0.00 C ATOM 1050 C GLU A 68 -3.885 -0.994 5.373 1.00 0.00 C ATOM 1051 O GLU A 68 -4.694 -1.047 4.446 1.00 0.00 O ATOM 1052 CB GLU A 68 -2.237 -2.849 5.688 1.00 0.00 C ATOM 1053 CG GLU A 68 -0.821 -3.370 5.508 1.00 0.00 C ATOM 1054 CD GLU A 68 -0.780 -4.852 5.188 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -0.461 -5.200 4.032 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -1.068 -5.663 6.093 1.00 0.00 O ATOM 0 H GLU A 68 -1.071 -0.896 6.676 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.211 -1.396 4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.496 -2.882 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.928 -3.514 5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.333 -2.816 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.251 -3.183 6.418 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.207 -0.571 6.591 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.560 -0.133 6.915 1.00 0.00 C ATOM 1065 C ASP A 69 -5.993 1.012 6.005 1.00 0.00 C ATOM 1066 O ASP A 69 -7.025 0.932 5.339 1.00 0.00 O ATOM 1067 CB ASP A 69 -5.639 0.305 8.379 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.938 -0.664 9.311 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.821 -1.854 8.952 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -4.507 -0.231 10.400 1.00 0.00 O ATOM 0 H ASP A 69 -3.550 -0.522 7.370 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.236 -0.974 6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.192 1.294 8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.685 0.395 8.673 1.00 0.00 H new ATOM 1075 N MET A 70 -5.198 2.077 5.983 1.00 0.00 N ATOM 1076 CA MET A 70 -5.500 3.238 5.154 1.00 0.00 C ATOM 1077 C MET A 70 -5.492 2.867 3.674 1.00 0.00 C ATOM 1078 O MET A 70 -6.260 3.416 2.882 1.00 0.00 O ATOM 1079 CB MET A 70 -4.490 4.356 5.417 1.00 0.00 C ATOM 1080 CG MET A 70 -4.598 4.959 6.808 1.00 0.00 C ATOM 1081 SD MET A 70 -3.916 6.625 6.899 1.00 0.00 S ATOM 1082 CE MET A 70 -5.406 7.589 7.138 1.00 0.00 C ATOM 0 H MET A 70 -4.341 2.160 6.529 1.00 0.00 H new ATOM 0 HA MET A 70 -6.498 3.590 5.416 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.482 3.964 5.277 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.631 5.143 4.677 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.645 4.983 7.109 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.077 4.318 7.519 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.148 8.645 7.213 1.00 0.00 H new ATOM 0 HE2 MET A 70 -6.076 7.438 6.292 1.00 0.00 H new ATOM 0 HE3 MET A 70 -5.902 7.271 8.055 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.620 1.934 3.308 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.512 1.490 1.923 1.00 0.00 C ATOM 1094 C LEU A 71 -5.872 1.063 1.380 1.00 0.00 C ATOM 1095 O LEU A 71 -6.215 1.358 0.235 1.00 0.00 O ATOM 1096 CB LEU A 71 -3.521 0.330 1.814 1.00 0.00 C ATOM 1097 CG LEU A 71 -3.179 -0.131 0.397 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -1.801 -0.772 0.362 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -4.234 -1.100 -0.117 1.00 0.00 C ATOM 0 H LEU A 71 -3.978 1.471 3.951 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.149 2.327 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.596 0.621 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.926 -0.520 2.363 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.167 0.742 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.575 -1.094 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.054 -0.048 0.688 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.784 -1.635 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.975 -1.418 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.278 -1.971 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.206 -0.606 -0.130 1.00 0.00 H new ATOM 1111 N ALA A 72 -6.644 0.370 2.210 1.00 0.00 N ATOM 1112 CA ALA A 72 -7.968 -0.093 1.815 1.00 0.00 C ATOM 1113 C ALA A 72 -8.951 1.069 1.721 1.00 0.00 C ATOM 1114 O ALA A 72 -9.879 1.045 0.911 1.00 0.00 O ATOM 1115 CB ALA A 72 -8.477 -1.138 2.798 1.00 0.00 C ATOM 0 H ALA A 72 -6.375 0.117 3.161 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.887 -0.547 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.467 -1.475 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.793 -1.987 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.536 -0.702 3.795 1.00 0.00 H new ATOM 1121 N ILE A 73 -8.742 2.084 2.553 1.00 0.00 N ATOM 1122 CA ILE A 73 -9.609 3.255 2.561 1.00 0.00 C ATOM 1123 C ILE A 73 -9.314 4.167 1.375 1.00 0.00 C ATOM 1124 O ILE A 73 -10.175 4.396 0.526 1.00 0.00 O ATOM 1125 CB ILE A 73 -9.454 4.060 3.865 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.461 3.122 5.074 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -10.564 5.095 3.984 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -9.192 3.825 6.386 1.00 0.00 C ATOM 0 H ILE A 73 -7.980 2.119 3.230 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.633 2.890 2.488 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.498 4.582 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.428 2.622 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.710 2.346 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -10.441 5.656 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.516 5.779 3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.531 4.592 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -9.212 3.099 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.212 4.302 6.349 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.957 4.582 6.557 1.00 0.00 H new ATOM 1140 N SER A 74 -8.090 4.684 1.324 1.00 0.00 N ATOM 1141 CA SER A 74 -7.681 5.573 0.242 1.00 0.00 C ATOM 1142 C SER A 74 -7.884 4.906 -1.115 1.00 0.00 C ATOM 1143 O SER A 74 -8.052 5.580 -2.131 1.00 0.00 O ATOM 1144 CB SER A 74 -6.215 5.974 0.412 1.00 0.00 C ATOM 1145 OG SER A 74 -5.385 5.273 -0.499 1.00 0.00 O ATOM 0 H SER A 74 -7.365 4.503 2.018 1.00 0.00 H new ATOM 0 HA SER A 74 -8.303 6.467 0.284 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.108 7.047 0.255 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.895 5.768 1.433 1.00 0.00 H new ATOM 0 HG SER A 74 -4.805 5.908 -0.968 1.00 0.00 H new ATOM 1151 N GLY A 75 -7.868 3.577 -1.123 1.00 0.00 N ATOM 1152 CA GLY A 75 -8.051 2.840 -2.360 1.00 0.00 C ATOM 1153 C GLY A 75 -9.510 2.727 -2.757 1.00 0.00 C ATOM 1154 O GLY A 75 -9.843 2.077 -3.748 1.00 0.00 O ATOM 0 H GLY A 75 -7.732 2.997 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.497 3.334 -3.159 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.629 1.841 -2.250 1.00 0.00 H new ATOM 1158 N LYS A 76 -10.383 3.360 -1.981 1.00 0.00 N ATOM 1159 CA LYS A 76 -11.815 3.328 -2.255 1.00 0.00 C ATOM 1160 C LYS A 76 -12.360 1.909 -2.137 1.00 0.00 C ATOM 1161 O LYS A 76 -12.950 1.378 -3.079 1.00 0.00 O ATOM 1162 CB LYS A 76 -12.099 3.880 -3.654 1.00 0.00 C ATOM 1163 CG LYS A 76 -13.450 4.565 -3.774 1.00 0.00 C ATOM 1164 CD LYS A 76 -14.028 4.416 -5.172 1.00 0.00 C ATOM 1165 CE LYS A 76 -14.496 5.753 -5.727 1.00 0.00 C ATOM 1166 NZ LYS A 76 -15.873 6.091 -5.272 1.00 0.00 N ATOM 0 H LYS A 76 -10.124 3.902 -1.157 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.315 3.953 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.316 4.590 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.049 3.064 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.141 4.139 -3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.345 5.623 -3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.275 3.989 -5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.865 3.718 -5.149 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.807 6.537 -5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.471 5.723 -6.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.155 7.009 -5.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.535 5.356 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.892 6.145 -4.234 1.00 0.00 H new ATOM 1180 N THR A 77 -12.160 1.297 -0.974 1.00 0.00 N ATOM 1181 CA THR A 77 -12.632 -0.060 -0.732 1.00 0.00 C ATOM 1182 C THR A 77 -13.230 -0.195 0.663 1.00 0.00 C ATOM 1183 O THR A 77 -14.399 -0.551 0.817 1.00 0.00 O ATOM 1184 CB THR A 77 -11.494 -1.087 -0.892 1.00 0.00 C ATOM 1185 OG1 THR A 77 -10.896 -0.958 -2.187 1.00 0.00 O ATOM 1186 CG2 THR A 77 -12.014 -2.504 -0.707 1.00 0.00 C ATOM 0 H THR A 77 -11.673 1.721 -0.184 1.00 0.00 H new ATOM 0 HA THR A 77 -13.403 -0.263 -1.475 1.00 0.00 H new ATOM 0 HB THR A 77 -10.745 -0.889 -0.125 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.173 -1.613 -2.280 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.193 -3.211 -0.824 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.442 -2.607 0.290 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.780 -2.711 -1.454 1.00 0.00 H new ATOM 1194 N LEU A 78 -12.422 0.093 1.678 1.00 0.00 N ATOM 1195 CA LEU A 78 -12.872 0.004 3.063 1.00 0.00 C ATOM 1196 C LEU A 78 -13.493 1.321 3.519 1.00 0.00 C ATOM 1197 O LEU A 78 -13.401 2.336 2.827 1.00 0.00 O ATOM 1198 CB LEU A 78 -11.703 -0.365 3.977 1.00 0.00 C ATOM 1199 CG LEU A 78 -11.699 -1.796 4.516 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -10.368 -2.112 5.180 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -12.847 -2.001 5.494 1.00 0.00 C ATOM 0 H LEU A 78 -11.452 0.390 1.568 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.632 -0.775 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.774 -0.201 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.699 0.321 4.824 1.00 0.00 H new ATOM 0 HG LEU A 78 -11.835 -2.480 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.383 -3.134 5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.564 -2.006 4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.201 -1.422 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.828 -3.025 5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -12.742 -1.308 6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.794 -1.817 4.987 1.00 0.00 H new ATOM 1213 N THR A 79 -14.125 1.298 4.688 1.00 0.00 N ATOM 1214 CA THR A 79 -14.760 2.490 5.237 1.00 0.00 C ATOM 1215 C THR A 79 -14.320 2.734 6.676 1.00 0.00 C ATOM 1216 O THR A 79 -13.944 1.802 7.388 1.00 0.00 O ATOM 1217 CB THR A 79 -16.295 2.379 5.193 1.00 0.00 C ATOM 1218 OG1 THR A 79 -16.743 1.405 6.143 1.00 0.00 O ATOM 1219 CG2 THR A 79 -16.770 1.993 3.801 1.00 0.00 C ATOM 0 H THR A 79 -14.211 0.467 5.273 1.00 0.00 H new ATOM 0 HA THR A 79 -14.446 3.330 4.617 1.00 0.00 H new ATOM 0 HB THR A 79 -16.715 3.353 5.446 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.720 1.341 6.110 1.00 0.00 H new ATOM 0 HG21 THR A 79 -17.858 1.921 3.795 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.453 2.751 3.085 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.341 1.030 3.524 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.370 3.992 7.100 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.978 4.359 8.456 1.00 0.00 C ATOM 1229 C VAL A 80 -14.678 3.479 9.487 1.00 0.00 C ATOM 1230 O VAL A 80 -14.046 2.961 10.407 1.00 0.00 O ATOM 1231 CB VAL A 80 -14.301 5.835 8.754 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -14.045 6.152 10.220 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -13.487 6.750 7.852 1.00 0.00 C ATOM 0 H VAL A 80 -14.678 4.775 6.524 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.901 4.210 8.525 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.358 6.007 8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.279 7.199 10.412 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.675 5.519 10.845 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.997 5.965 10.455 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.727 7.789 8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -12.424 6.578 8.023 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.725 6.539 6.809 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.987 3.314 9.325 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.751 2.496 10.248 1.00 0.00 C ATOM 1245 C GLY A 81 -16.183 1.098 10.391 1.00 0.00 C ATOM 1246 O GLY A 81 -16.181 0.530 11.484 1.00 0.00 O ATOM 0 H GLY A 81 -16.532 3.732 8.571 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.771 2.978 11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.783 2.432 9.903 1.00 0.00 H new ATOM 1250 N ASP A 82 -15.702 0.541 9.286 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.129 -0.800 9.292 1.00 0.00 C ATOM 1252 C ASP A 82 -13.869 -0.849 10.151 1.00 0.00 C ATOM 1253 O ASP A 82 -13.777 -1.637 11.092 1.00 0.00 O ATOM 1254 CB ASP A 82 -14.806 -1.247 7.866 1.00 0.00 C ATOM 1255 CG ASP A 82 -15.681 -2.397 7.407 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -16.873 -2.159 7.122 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -15.172 -3.535 7.331 1.00 0.00 O ATOM 0 H ASP A 82 -15.697 0.997 8.374 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.866 -1.480 9.719 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.933 -0.404 7.187 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -13.759 -1.546 7.810 1.00 0.00 H new ATOM 1262 N ALA A 83 -12.900 -0.001 9.820 1.00 0.00 N ATOM 1263 CA ALA A 83 -11.647 0.053 10.562 1.00 0.00 C ATOM 1264 C ALA A 83 -11.894 0.343 12.038 1.00 0.00 C ATOM 1265 O ALA A 83 -11.170 -0.145 12.907 1.00 0.00 O ATOM 1266 CB ALA A 83 -10.724 1.105 9.963 1.00 0.00 C ATOM 0 H ALA A 83 -12.959 0.657 9.043 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.167 -0.923 10.486 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.792 1.135 10.527 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.512 0.854 8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.207 2.081 10.009 1.00 0.00 H new ATOM 1272 N LEU A 84 -12.920 1.140 12.316 1.00 0.00 N ATOM 1273 CA LEU A 84 -13.263 1.495 13.689 1.00 0.00 C ATOM 1274 C LEU A 84 -13.818 0.290 14.441 1.00 0.00 C ATOM 1275 O LEU A 84 -13.370 -0.029 15.542 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.284 2.634 13.701 1.00 0.00 C ATOM 1277 CG LEU A 84 -14.120 3.670 14.814 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -12.780 4.379 14.690 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -15.262 4.675 14.779 1.00 0.00 C ATOM 0 H LEU A 84 -13.529 1.553 11.609 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.354 1.825 14.191 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.235 3.150 12.742 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.281 2.201 13.779 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.147 3.152 15.773 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.681 5.112 15.490 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.974 3.649 14.765 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.724 4.884 13.726 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -15.129 5.405 15.578 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.267 5.187 13.817 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.209 4.154 14.917 1.00 0.00 H new ATOM 1291 N LYS A 85 -14.796 -0.378 13.838 1.00 0.00 N ATOM 1292 CA LYS A 85 -15.411 -1.551 14.448 1.00 0.00 C ATOM 1293 C LYS A 85 -14.369 -2.629 14.726 1.00 0.00 C ATOM 1294 O LYS A 85 -14.403 -3.283 15.768 1.00 0.00 O ATOM 1295 CB LYS A 85 -16.507 -2.108 13.537 1.00 0.00 C ATOM 1296 CG LYS A 85 -17.020 -3.472 13.967 1.00 0.00 C ATOM 1297 CD LYS A 85 -16.472 -4.578 13.082 1.00 0.00 C ATOM 1298 CE LYS A 85 -17.024 -5.938 13.482 1.00 0.00 C ATOM 1299 NZ LYS A 85 -16.801 -6.961 12.423 1.00 0.00 N ATOM 0 H LYS A 85 -15.180 -0.127 12.927 1.00 0.00 H new ATOM 0 HA LYS A 85 -15.854 -1.247 15.396 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.341 -1.406 13.514 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.122 -2.178 12.520 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -16.736 -3.659 15.003 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.109 -3.481 13.929 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -16.726 -4.373 12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.384 -4.592 13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.550 -6.264 14.408 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.092 -5.851 13.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -17.191 -7.873 12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -17.275 -6.662 11.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -15.781 -7.063 12.248 1.00 0.00 H new ATOM 1313 N GLN A 86 -13.444 -2.808 13.788 1.00 0.00 N ATOM 1314 CA GLN A 86 -12.392 -3.807 13.934 1.00 0.00 C ATOM 1315 C GLN A 86 -11.392 -3.392 15.009 1.00 0.00 C ATOM 1316 O GLN A 86 -10.916 -4.222 15.782 1.00 0.00 O ATOM 1317 CB GLN A 86 -11.670 -4.016 12.602 1.00 0.00 C ATOM 1318 CG GLN A 86 -12.563 -4.577 11.508 1.00 0.00 C ATOM 1319 CD GLN A 86 -11.793 -4.929 10.250 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -10.584 -5.161 10.292 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -12.490 -4.970 9.121 1.00 0.00 N ATOM 0 H GLN A 86 -13.402 -2.275 12.920 1.00 0.00 H new ATOM 0 HA GLN A 86 -12.856 -4.745 14.239 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.256 -3.064 12.269 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.829 -4.693 12.756 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.071 -5.467 11.880 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.335 -3.847 11.265 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.490 -4.771 9.132 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.025 -5.201 8.243 1.00 0.00 H new ATOM 1330 N GLY A 87 -11.078 -2.100 15.051 1.00 0.00 N ATOM 1331 CA GLY A 87 -10.136 -1.598 16.034 1.00 0.00 C ATOM 1332 C GLY A 87 -8.743 -1.420 15.464 1.00 0.00 C ATOM 1333 O GLY A 87 -7.752 -1.501 16.190 1.00 0.00 O ATOM 0 H GLY A 87 -11.459 -1.393 14.422 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.492 -0.643 16.419 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.095 -2.287 16.878 1.00 0.00 H new ATOM 1337 N LYS A 88 -8.665 -1.179 14.160 1.00 0.00 N ATOM 1338 CA LYS A 88 -7.383 -0.990 13.491 1.00 0.00 C ATOM 1339 C LYS A 88 -6.822 0.400 13.772 1.00 0.00 C ATOM 1340 O LYS A 88 -5.607 0.590 13.827 1.00 0.00 O ATOM 1341 CB LYS A 88 -7.536 -1.195 11.982 1.00 0.00 C ATOM 1342 CG LYS A 88 -8.382 -2.402 11.615 1.00 0.00 C ATOM 1343 CD LYS A 88 -8.374 -2.653 10.116 1.00 0.00 C ATOM 1344 CE LYS A 88 -7.659 -3.950 9.772 1.00 0.00 C ATOM 1345 NZ LYS A 88 -6.299 -4.011 10.375 1.00 0.00 N ATOM 0 H LYS A 88 -9.475 -1.110 13.544 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.685 -1.730 13.883 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.984 -0.302 11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.547 -1.306 11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.005 -3.283 12.134 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.406 -2.246 11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -9.399 -2.692 9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.885 -1.821 9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.251 -4.795 10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.581 -4.045 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.764 -4.793 9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.801 -3.115 10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.380 -4.168 11.400 1.00 0.00 H new ATOM 1359 N ILE A 89 -7.715 1.368 13.951 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.309 2.740 14.229 1.00 0.00 C ATOM 1361 C ILE A 89 -7.092 2.957 15.722 1.00 0.00 C ATOM 1362 O ILE A 89 -7.969 2.666 16.535 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.354 3.751 13.721 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -8.832 3.362 12.320 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.772 5.157 13.717 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -9.869 4.306 11.753 1.00 0.00 C ATOM 0 H ILE A 89 -8.724 1.227 13.908 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.370 2.904 13.700 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.211 3.736 14.394 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.975 3.331 11.648 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.248 2.355 12.353 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.522 5.860 13.356 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.476 5.431 14.730 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.901 5.188 13.063 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.162 3.970 10.759 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.743 4.320 12.404 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.450 5.310 11.687 1.00 0.00 H new ATOM 1378 N GLU A 90 -5.918 3.472 16.076 1.00 0.00 N ATOM 1379 CA GLU A 90 -5.587 3.729 17.473 1.00 0.00 C ATOM 1380 C GLU A 90 -5.943 5.161 17.861 1.00 0.00 C ATOM 1381 O GLU A 90 -5.875 6.075 17.038 1.00 0.00 O ATOM 1382 CB GLU A 90 -4.099 3.476 17.722 1.00 0.00 C ATOM 1383 CG GLU A 90 -3.714 3.509 19.192 1.00 0.00 C ATOM 1384 CD GLU A 90 -2.371 2.859 19.458 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -1.642 2.583 18.481 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -2.048 2.625 20.641 1.00 0.00 O ATOM 0 H GLU A 90 -5.181 3.719 15.415 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.172 3.047 18.090 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.829 2.505 17.306 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.517 4.225 17.186 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.686 4.544 19.533 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.481 3.001 19.776 1.00 0.00 H new ATOM 1393 N LEU A 91 -6.324 5.349 19.120 1.00 0.00 N ATOM 1394 CA LEU A 91 -6.691 6.670 19.619 1.00 0.00 C ATOM 1395 C LEU A 91 -5.697 7.151 20.671 1.00 0.00 C ATOM 1396 O LEU A 91 -5.188 6.360 21.466 1.00 0.00 O ATOM 1397 CB LEU A 91 -8.102 6.639 20.211 1.00 0.00 C ATOM 1398 CG LEU A 91 -9.232 7.066 19.274 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -10.579 6.625 19.826 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -9.208 8.573 19.064 1.00 0.00 C ATOM 0 H LEU A 91 -6.387 4.604 19.814 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.670 7.366 18.781 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.307 5.626 20.557 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.121 7.285 21.088 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.082 6.581 18.309 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.371 6.938 19.146 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.594 5.540 19.926 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.739 7.081 20.803 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.019 8.860 18.395 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.334 9.076 20.023 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.254 8.864 18.624 1.00 0.00 H new ATOM 1412 N SER A 92 -5.426 8.452 20.670 1.00 0.00 N ATOM 1413 CA SER A 92 -4.491 9.038 21.624 1.00 0.00 C ATOM 1414 C SER A 92 -4.488 10.560 21.516 1.00 0.00 C ATOM 1415 O SER A 92 -4.505 11.116 20.418 1.00 0.00 O ATOM 1416 CB SER A 92 -3.080 8.496 21.386 1.00 0.00 C ATOM 1417 OG SER A 92 -2.859 7.307 22.125 1.00 0.00 O ATOM 0 H SER A 92 -5.840 9.120 20.020 1.00 0.00 H new ATOM 0 HA SER A 92 -4.814 8.763 22.628 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.937 8.299 20.323 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.345 9.248 21.673 1.00 0.00 H new ATOM 0 HG SER A 92 -3.454 6.601 21.795 1.00 0.00 H new ATOM 1423 N GLY A 93 -4.467 11.229 22.665 1.00 0.00 N ATOM 1424 CA GLY A 93 -4.462 12.680 22.679 1.00 0.00 C ATOM 1425 C GLY A 93 -5.792 13.260 23.116 1.00 0.00 C ATOM 1426 O GLY A 93 -6.127 13.238 24.301 1.00 0.00 O ATOM 0 H GLY A 93 -4.453 10.792 23.586 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.678 13.031 23.350 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.218 13.049 21.683 1.00 0.00 H new ATOM 1430 N ASP A 94 -6.552 13.781 22.159 1.00 0.00 N ATOM 1431 CA ASP A 94 -7.854 14.370 22.452 1.00 0.00 C ATOM 1432 C ASP A 94 -8.969 13.600 21.752 1.00 0.00 C ATOM 1433 O ASP A 94 -9.475 14.026 20.714 1.00 0.00 O ATOM 1434 CB ASP A 94 -7.882 15.837 22.020 1.00 0.00 C ATOM 1435 CG ASP A 94 -7.556 16.782 23.160 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -6.822 17.765 22.925 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -8.037 16.540 24.287 1.00 0.00 O ATOM 0 H ASP A 94 -6.289 13.808 21.174 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.018 14.312 23.528 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.168 15.988 21.211 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.868 16.077 21.623 1.00 0.00 H new ATOM 1442 N ALA A 95 -9.345 12.462 22.326 1.00 0.00 N ATOM 1443 CA ALA A 95 -10.401 11.632 21.758 1.00 0.00 C ATOM 1444 C ALA A 95 -11.597 12.479 21.335 1.00 0.00 C ATOM 1445 O ALA A 95 -12.233 12.206 20.317 1.00 0.00 O ATOM 1446 CB ALA A 95 -10.831 10.569 22.757 1.00 0.00 C ATOM 0 H ALA A 95 -8.934 12.094 23.184 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.005 11.140 20.869 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.620 9.957 22.320 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.978 9.938 23.007 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.204 11.049 23.662 1.00 0.00 H new ATOM 1452 N ASP A 96 -11.897 13.505 22.123 1.00 0.00 N ATOM 1453 CA ASP A 96 -13.017 14.392 21.829 1.00 0.00 C ATOM 1454 C ASP A 96 -12.944 14.903 20.394 1.00 0.00 C ATOM 1455 O ASP A 96 -13.937 14.884 19.665 1.00 0.00 O ATOM 1456 CB ASP A 96 -13.030 15.571 22.804 1.00 0.00 C ATOM 1457 CG ASP A 96 -14.385 15.768 23.455 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -14.428 15.970 24.687 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -15.403 15.721 22.733 1.00 0.00 O ATOM 0 H ASP A 96 -11.381 13.743 22.970 1.00 0.00 H new ATOM 0 HA ASP A 96 -13.940 13.823 21.946 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.279 15.408 23.577 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -12.749 16.481 22.273 1.00 0.00 H new ATOM 1464 N LEU A 97 -11.763 15.361 19.994 1.00 0.00 N ATOM 1465 CA LEU A 97 -11.560 15.879 18.645 1.00 0.00 C ATOM 1466 C LEU A 97 -11.610 14.754 17.617 1.00 0.00 C ATOM 1467 O LEU A 97 -12.360 14.823 16.643 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.219 16.609 18.554 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.261 18.121 18.773 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -9.622 18.487 20.103 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.567 18.845 17.629 1.00 0.00 C ATOM 0 H LEU A 97 -10.931 15.384 20.584 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.364 16.582 18.427 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.541 16.175 19.289 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.789 16.416 17.571 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.304 18.436 18.797 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.662 19.568 20.241 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.163 17.998 20.913 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.583 18.158 20.110 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.607 19.920 17.802 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.527 18.524 17.573 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.070 18.609 16.691 1.00 0.00 H new ATOM 1483 N ALA A 98 -10.809 13.717 17.841 1.00 0.00 N ATOM 1484 CA ALA A 98 -10.765 12.576 16.936 1.00 0.00 C ATOM 1485 C ALA A 98 -12.161 12.009 16.699 1.00 0.00 C ATOM 1486 O ALA A 98 -12.441 11.446 15.641 1.00 0.00 O ATOM 1487 CB ALA A 98 -9.843 11.499 17.489 1.00 0.00 C ATOM 0 H ALA A 98 -10.182 13.644 18.642 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.373 12.918 15.978 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.820 10.652 16.803 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -8.837 11.903 17.601 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.211 11.169 18.460 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.033 12.162 17.691 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.400 11.666 17.589 1.00 0.00 C ATOM 1495 C ALA A 99 -15.135 12.321 16.425 1.00 0.00 C ATOM 1496 O ALA A 99 -15.845 11.653 15.671 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.147 11.910 18.892 1.00 0.00 C ATOM 0 H ALA A 99 -12.817 12.625 18.574 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.359 10.593 17.401 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.167 11.535 18.803 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.639 11.391 19.705 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.171 12.979 19.103 1.00 0.00 H new ATOM 1503 N LYS A 100 -14.963 13.630 16.283 1.00 0.00 N ATOM 1504 CA LYS A 100 -15.610 14.376 15.209 1.00 0.00 C ATOM 1505 C LYS A 100 -15.315 13.743 13.853 1.00 0.00 C ATOM 1506 O LYS A 100 -16.204 13.617 13.009 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.140 15.832 15.217 1.00 0.00 C ATOM 1508 CG LYS A 100 -15.939 16.724 16.151 1.00 0.00 C ATOM 1509 CD LYS A 100 -15.074 17.278 17.270 1.00 0.00 C ATOM 1510 CE LYS A 100 -15.800 17.242 18.606 1.00 0.00 C ATOM 1511 NZ LYS A 100 -15.219 18.208 19.579 1.00 0.00 N ATOM 0 H LYS A 100 -14.380 14.198 16.898 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.687 14.347 15.377 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.090 15.864 15.507 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -15.203 16.231 14.205 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.374 17.548 15.585 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.767 16.157 16.577 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -14.153 16.699 17.340 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -14.789 18.304 17.037 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.855 17.471 18.453 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.749 16.235 19.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -15.741 18.153 20.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -14.219 17.974 19.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.290 19.172 19.196 1.00 0.00 H new ATOM 1525 N LEU A 101 -14.064 13.345 13.650 1.00 0.00 N ATOM 1526 CA LEU A 101 -13.652 12.723 12.396 1.00 0.00 C ATOM 1527 C LEU A 101 -14.467 11.463 12.121 1.00 0.00 C ATOM 1528 O LEU A 101 -14.835 11.188 10.979 1.00 0.00 O ATOM 1529 CB LEU A 101 -12.162 12.382 12.439 1.00 0.00 C ATOM 1530 CG LEU A 101 -11.545 11.904 11.123 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -11.256 13.085 10.210 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -10.276 11.108 11.388 1.00 0.00 C ATOM 0 H LEU A 101 -13.317 13.442 14.338 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.832 13.433 11.589 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -11.617 13.265 12.773 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.008 11.609 13.191 1.00 0.00 H new ATOM 0 HG LEU A 101 -12.261 11.252 10.623 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -10.817 12.726 9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -12.184 13.614 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.559 13.763 10.702 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -9.850 10.776 10.441 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.554 11.737 11.909 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.513 10.240 12.004 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.746 10.703 13.174 1.00 0.00 N ATOM 1545 CA ALA A 102 -15.521 9.475 13.046 1.00 0.00 C ATOM 1546 C ALA A 102 -16.996 9.779 12.808 1.00 0.00 C ATOM 1547 O ALA A 102 -17.698 9.012 12.150 1.00 0.00 O ATOM 1548 CB ALA A 102 -15.351 8.612 14.288 1.00 0.00 C ATOM 0 H ALA A 102 -14.447 10.916 14.126 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.146 8.926 12.182 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -15.935 7.698 14.179 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.299 8.357 14.413 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -15.697 9.162 15.163 1.00 0.00 H new