USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 573 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 41 ASN : amide:sc= -0.215 K(o=-0.87,f=-1.9) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.653 X(o=-0.87,f=-0.55) USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 HIS :FLIP no HE2:sc= -8.66! C(o=-12!,f=-8.7!) 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= -0.121 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 164:sc= -0.0112 (180deg=-0.157) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 35 MET CE :methyl -168:sc= 0 (180deg=-0.156) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -106:sc= -1.22 (180deg=-2.17) USER MOD Single : A 44 SER OG : rot -53:sc= 0.575 USER MOD Single : A 46 HIS : no HE2:sc= -5.76! C(o=-5.8!,f=-7.2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.000613 USER MOD Single : A 55 CYS SG : rot 73:sc= -1.74 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0.124 K(o=0.12,f=-4.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 24:sc= 0.476 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.850 -13.264 20.810 1.00 0.00 N ATOM 2 CA GLY A 1 17.980 -13.572 19.954 1.00 0.00 C ATOM 3 C GLY A 1 18.218 -12.507 18.902 1.00 0.00 C ATOM 4 O GLY A 1 17.377 -12.288 18.029 1.00 0.00 O ATOM 0 H1 GLY A 1 16.729 -14.022 21.512 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.021 -12.363 21.300 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.988 -13.186 20.233 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.876 -13.681 20.565 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.810 -14.531 19.464 1.00 0.00 H new ATOM 8 N SER A 2 19.366 -11.842 18.984 1.00 0.00 N ATOM 9 CA SER A 2 19.709 -10.790 18.035 1.00 0.00 C ATOM 10 C SER A 2 21.023 -11.105 17.326 1.00 0.00 C ATOM 11 O SER A 2 22.046 -11.343 17.968 1.00 0.00 O ATOM 12 CB SER A 2 19.814 -9.442 18.751 1.00 0.00 C ATOM 13 OG SER A 2 18.558 -9.041 19.270 1.00 0.00 O ATOM 0 H SER A 2 20.074 -12.013 19.698 1.00 0.00 H new ATOM 0 HA SER A 2 18.917 -10.736 17.288 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.540 -9.513 19.561 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.183 -8.686 18.058 1.00 0.00 H new ATOM 0 HG SER A 2 18.652 -8.178 19.724 1.00 0.00 H new ATOM 19 N SER A 3 20.986 -11.105 15.997 1.00 0.00 N ATOM 20 CA SER A 3 22.171 -11.395 15.200 1.00 0.00 C ATOM 21 C SER A 3 22.632 -10.155 14.440 1.00 0.00 C ATOM 22 O SER A 3 23.783 -9.735 14.553 1.00 0.00 O ATOM 23 CB SER A 3 21.885 -12.532 14.217 1.00 0.00 C ATOM 24 OG SER A 3 20.789 -12.216 13.376 1.00 0.00 O ATOM 0 H SER A 3 20.148 -10.907 15.450 1.00 0.00 H new ATOM 0 HA SER A 3 22.968 -11.702 15.878 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.770 -12.723 13.610 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.672 -13.448 14.768 1.00 0.00 H new ATOM 0 HG SER A 3 20.628 -12.958 12.756 1.00 0.00 H new ATOM 30 N GLY A 4 21.722 -9.571 13.665 1.00 0.00 N ATOM 31 CA GLY A 4 22.053 -8.385 12.897 1.00 0.00 C ATOM 32 C GLY A 4 21.168 -7.204 13.246 1.00 0.00 C ATOM 33 O GLY A 4 20.225 -7.335 14.026 1.00 0.00 O ATOM 0 H GLY A 4 20.762 -9.898 13.556 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.095 -8.120 13.075 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.957 -8.606 11.834 1.00 0.00 H new ATOM 37 N SER A 5 21.474 -6.047 12.668 1.00 0.00 N ATOM 38 CA SER A 5 20.704 -4.836 12.927 1.00 0.00 C ATOM 39 C SER A 5 19.230 -5.048 12.592 1.00 0.00 C ATOM 40 O SER A 5 18.364 -4.944 13.460 1.00 0.00 O ATOM 41 CB SER A 5 21.261 -3.668 12.111 1.00 0.00 C ATOM 42 OG SER A 5 22.388 -3.092 12.748 1.00 0.00 O ATOM 0 H SER A 5 22.250 -5.923 12.017 1.00 0.00 H new ATOM 0 HA SER A 5 20.788 -4.601 13.988 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.540 -4.016 11.116 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.488 -2.911 11.979 1.00 0.00 H new ATOM 0 HG SER A 5 22.726 -2.349 12.206 1.00 0.00 H new ATOM 48 N SER A 6 18.954 -5.346 11.326 1.00 0.00 N ATOM 49 CA SER A 6 17.586 -5.569 10.874 1.00 0.00 C ATOM 50 C SER A 6 16.939 -6.715 11.647 1.00 0.00 C ATOM 51 O SER A 6 17.603 -7.681 12.019 1.00 0.00 O ATOM 52 CB SER A 6 17.565 -5.875 9.376 1.00 0.00 C ATOM 53 OG SER A 6 16.335 -5.482 8.792 1.00 0.00 O ATOM 0 H SER A 6 19.660 -5.438 10.596 1.00 0.00 H new ATOM 0 HA SER A 6 17.015 -4.659 11.060 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.387 -5.355 8.884 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.722 -6.942 9.217 1.00 0.00 H new ATOM 0 HG SER A 6 16.348 -5.687 7.834 1.00 0.00 H new ATOM 59 N GLY A 7 15.636 -6.598 11.885 1.00 0.00 N ATOM 60 CA GLY A 7 14.919 -7.629 12.613 1.00 0.00 C ATOM 61 C GLY A 7 14.561 -8.813 11.737 1.00 0.00 C ATOM 62 O GLY A 7 13.418 -8.946 11.296 1.00 0.00 O ATOM 0 H GLY A 7 15.064 -5.808 11.587 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.529 -7.971 13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.008 -7.205 13.036 1.00 0.00 H new ATOM 66 N THR A 8 15.539 -9.677 11.482 1.00 0.00 N ATOM 67 CA THR A 8 15.322 -10.854 10.651 1.00 0.00 C ATOM 68 C THR A 8 14.068 -11.607 11.080 1.00 0.00 C ATOM 69 O THR A 8 13.775 -11.716 12.272 1.00 0.00 O ATOM 70 CB THR A 8 16.527 -11.812 10.708 1.00 0.00 C ATOM 71 OG1 THR A 8 16.834 -12.132 12.070 1.00 0.00 O ATOM 72 CG2 THR A 8 17.745 -11.190 10.041 1.00 0.00 C ATOM 0 H THR A 8 16.490 -9.583 11.840 1.00 0.00 H new ATOM 0 HA THR A 8 15.197 -10.499 9.628 1.00 0.00 H new ATOM 0 HB THR A 8 16.264 -12.724 10.171 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.600 -12.743 12.098 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.583 -11.885 10.094 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.518 -10.974 8.997 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.008 -10.265 10.554 1.00 0.00 H new ATOM 80 N LEU A 9 13.331 -12.124 10.104 1.00 0.00 N ATOM 81 CA LEU A 9 12.107 -12.868 10.381 1.00 0.00 C ATOM 82 C LEU A 9 11.556 -13.503 9.109 1.00 0.00 C ATOM 83 O LEU A 9 11.840 -13.047 8.002 1.00 0.00 O ATOM 84 CB LEU A 9 11.056 -11.947 11.002 1.00 0.00 C ATOM 85 CG LEU A 9 10.628 -10.749 10.153 1.00 0.00 C ATOM 86 CD1 LEU A 9 9.753 -11.202 8.994 1.00 0.00 C ATOM 87 CD2 LEU A 9 9.897 -9.724 11.007 1.00 0.00 C ATOM 0 H LEU A 9 13.559 -12.042 9.113 1.00 0.00 H new ATOM 0 HA LEU A 9 12.347 -13.663 11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 9 10.171 -12.541 11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.443 -11.575 11.951 1.00 0.00 H new ATOM 0 HG LEU A 9 11.523 -10.279 9.744 1.00 0.00 H new ATOM 0 HD11 LEU A 9 9.458 -10.336 8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.311 -11.898 8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.862 -11.697 9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.600 -8.879 10.386 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.010 -10.182 11.445 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.556 -9.376 11.802 1.00 0.00 H new ATOM 99 N ALA A 10 10.764 -14.558 9.275 1.00 0.00 N ATOM 100 CA ALA A 10 10.169 -15.253 8.140 1.00 0.00 C ATOM 101 C ALA A 10 8.678 -15.486 8.359 1.00 0.00 C ATOM 102 O ALA A 10 8.222 -15.633 9.494 1.00 0.00 O ATOM 103 CB ALA A 10 10.882 -16.575 7.898 1.00 0.00 C ATOM 0 H ALA A 10 10.520 -14.950 10.185 1.00 0.00 H new ATOM 0 HA ALA A 10 10.286 -14.623 7.258 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.427 -17.083 7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.935 -16.387 7.688 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.795 -17.203 8.785 1.00 0.00 H new ATOM 109 N LYS A 11 7.922 -15.519 7.267 1.00 0.00 N ATOM 110 CA LYS A 11 6.482 -15.735 7.339 1.00 0.00 C ATOM 111 C LYS A 11 6.090 -17.029 6.633 1.00 0.00 C ATOM 112 O LYS A 11 6.333 -17.193 5.438 1.00 0.00 O ATOM 113 CB LYS A 11 5.736 -14.554 6.714 1.00 0.00 C ATOM 114 CG LYS A 11 6.318 -14.102 5.385 1.00 0.00 C ATOM 115 CD LYS A 11 5.409 -13.103 4.690 1.00 0.00 C ATOM 116 CE LYS A 11 5.682 -13.048 3.194 1.00 0.00 C ATOM 117 NZ LYS A 11 6.782 -12.100 2.865 1.00 0.00 N ATOM 0 H LYS A 11 8.283 -15.399 6.321 1.00 0.00 H new ATOM 0 HA LYS A 11 6.204 -15.817 8.390 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.692 -14.830 6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.750 -13.716 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.297 -13.652 5.550 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.470 -14.967 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.368 -13.376 4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.554 -12.114 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.942 -14.044 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.775 -12.747 2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.937 -12.092 1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.524 -11.144 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.655 -12.401 3.344 1.00 0.00 H new ATOM 131 N SER A 12 5.481 -17.944 7.380 1.00 0.00 N ATOM 132 CA SER A 12 5.057 -19.225 6.826 1.00 0.00 C ATOM 133 C SER A 12 3.536 -19.299 6.730 1.00 0.00 C ATOM 134 O SER A 12 2.845 -19.445 7.739 1.00 0.00 O ATOM 135 CB SER A 12 5.583 -20.376 7.686 1.00 0.00 C ATOM 136 OG SER A 12 5.346 -21.627 7.063 1.00 0.00 O ATOM 0 H SER A 12 5.270 -17.822 8.370 1.00 0.00 H new ATOM 0 HA SER A 12 5.471 -19.314 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.652 -20.248 7.857 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.099 -20.355 8.663 1.00 0.00 H new ATOM 0 HG SER A 12 5.692 -22.346 7.631 1.00 0.00 H new ATOM 142 N LYS A 13 3.021 -19.198 5.510 1.00 0.00 N ATOM 143 CA LYS A 13 1.582 -19.255 5.280 1.00 0.00 C ATOM 144 C LYS A 13 1.237 -20.333 4.258 1.00 0.00 C ATOM 145 O LYS A 13 1.911 -20.476 3.240 1.00 0.00 O ATOM 146 CB LYS A 13 1.068 -17.897 4.796 1.00 0.00 C ATOM 147 CG LYS A 13 -0.399 -17.656 5.106 1.00 0.00 C ATOM 148 CD LYS A 13 -0.592 -17.125 6.516 1.00 0.00 C ATOM 149 CE LYS A 13 -0.459 -15.611 6.565 1.00 0.00 C ATOM 150 NZ LYS A 13 -1.637 -14.931 5.958 1.00 0.00 N ATOM 0 H LYS A 13 3.579 -19.076 4.665 1.00 0.00 H new ATOM 0 HA LYS A 13 1.098 -19.505 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.662 -17.108 5.257 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.220 -17.823 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.811 -16.946 4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.954 -18.586 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.576 -17.417 6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.144 -17.578 7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.348 -15.289 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.446 -15.309 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.646 -13.931 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.578 -14.994 4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.510 -15.392 6.284 1.00 0.00 H new ATOM 164 N GLY A 14 0.180 -21.090 4.538 1.00 0.00 N ATOM 165 CA GLY A 14 -0.237 -22.145 3.633 1.00 0.00 C ATOM 166 C GLY A 14 -1.576 -22.744 4.018 1.00 0.00 C ATOM 167 O GLY A 14 -2.430 -22.973 3.162 1.00 0.00 O ATOM 0 H GLY A 14 -0.394 -20.991 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.298 -21.747 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.519 -22.930 3.622 1.00 0.00 H new ATOM 171 N ALA A 15 -1.758 -23.000 5.309 1.00 0.00 N ATOM 172 CA ALA A 15 -3.002 -23.576 5.805 1.00 0.00 C ATOM 173 C ALA A 15 -3.930 -22.493 6.348 1.00 0.00 C ATOM 174 O ALA A 15 -5.136 -22.518 6.106 1.00 0.00 O ATOM 175 CB ALA A 15 -2.712 -24.612 6.880 1.00 0.00 C ATOM 0 H ALA A 15 -1.060 -22.818 6.030 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.505 -24.065 4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.650 -25.034 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -2.094 -25.407 6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.184 -24.139 7.708 1.00 0.00 H new ATOM 181 N SER A 16 -3.358 -21.545 7.083 1.00 0.00 N ATOM 182 CA SER A 16 -4.135 -20.456 7.664 1.00 0.00 C ATOM 183 C SER A 16 -4.884 -19.685 6.581 1.00 0.00 C ATOM 184 O SER A 16 -4.302 -18.864 5.874 1.00 0.00 O ATOM 185 CB SER A 16 -3.221 -19.508 8.442 1.00 0.00 C ATOM 186 OG SER A 16 -2.457 -20.212 9.406 1.00 0.00 O ATOM 0 H SER A 16 -2.360 -21.509 7.290 1.00 0.00 H new ATOM 0 HA SER A 16 -4.865 -20.888 8.348 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.554 -18.992 7.751 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.821 -18.744 8.936 1.00 0.00 H new ATOM 0 HG SER A 16 -1.880 -19.584 9.888 1.00 0.00 H new ATOM 192 N ALA A 17 -6.179 -19.957 6.458 1.00 0.00 N ATOM 193 CA ALA A 17 -7.009 -19.288 5.464 1.00 0.00 C ATOM 194 C ALA A 17 -7.528 -17.954 5.989 1.00 0.00 C ATOM 195 O ALA A 17 -7.648 -17.756 7.198 1.00 0.00 O ATOM 196 CB ALA A 17 -8.169 -20.184 5.056 1.00 0.00 C ATOM 0 H ALA A 17 -6.676 -20.636 7.034 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.392 -19.088 4.588 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.781 -19.672 4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.782 -21.110 4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.777 -20.413 5.931 1.00 0.00 H new ATOM 202 N GLY A 18 -7.834 -17.041 5.073 1.00 0.00 N ATOM 203 CA GLY A 18 -8.336 -15.737 5.464 1.00 0.00 C ATOM 204 C GLY A 18 -8.334 -14.747 4.316 1.00 0.00 C ATOM 205 O GLY A 18 -9.031 -14.940 3.320 1.00 0.00 O ATOM 0 H GLY A 18 -7.743 -17.181 4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.351 -15.842 5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.726 -15.346 6.278 1.00 0.00 H new ATOM 209 N ARG A 19 -7.551 -13.682 4.456 1.00 0.00 N ATOM 210 CA ARG A 19 -7.464 -12.657 3.423 1.00 0.00 C ATOM 211 C ARG A 19 -6.142 -12.757 2.667 1.00 0.00 C ATOM 212 O ARG A 19 -5.148 -13.248 3.200 1.00 0.00 O ATOM 213 CB ARG A 19 -7.604 -11.265 4.044 1.00 0.00 C ATOM 214 CG ARG A 19 -9.045 -10.799 4.174 1.00 0.00 C ATOM 215 CD ARG A 19 -9.857 -11.738 5.052 1.00 0.00 C ATOM 216 NE ARG A 19 -11.244 -11.300 5.185 1.00 0.00 N ATOM 217 CZ ARG A 19 -11.611 -10.220 5.866 1.00 0.00 C ATOM 218 NH1 ARG A 19 -10.699 -9.472 6.472 1.00 0.00 N ATOM 219 NH2 ARG A 19 -12.893 -9.886 5.942 1.00 0.00 N ATOM 0 H ARG A 19 -6.968 -13.507 5.274 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.279 -12.818 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.142 -11.268 5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.052 -10.548 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.067 -9.794 4.596 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.500 -10.739 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.833 -12.742 4.628 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.399 -11.798 6.039 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.970 -11.853 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.713 -9.725 6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.984 -8.643 6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.598 -10.459 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.174 -9.057 6.465 1.00 0.00 H new ATOM 233 N GLU A 20 -6.142 -12.289 1.423 1.00 0.00 N ATOM 234 CA GLU A 20 -4.943 -12.328 0.593 1.00 0.00 C ATOM 235 C GLU A 20 -4.929 -11.168 -0.398 1.00 0.00 C ATOM 236 O GLU A 20 -5.943 -10.861 -1.024 1.00 0.00 O ATOM 237 CB GLU A 20 -4.860 -13.658 -0.160 1.00 0.00 C ATOM 238 CG GLU A 20 -4.690 -14.863 0.750 1.00 0.00 C ATOM 239 CD GLU A 20 -3.331 -14.900 1.421 1.00 0.00 C ATOM 240 OE1 GLU A 20 -2.390 -14.271 0.894 1.00 0.00 O ATOM 241 OE2 GLU A 20 -3.209 -15.559 2.475 1.00 0.00 O ATOM 0 H GLU A 20 -6.958 -11.879 0.968 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.076 -12.234 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.765 -13.787 -0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.023 -13.619 -0.858 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.468 -14.850 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.829 -15.775 0.169 1.00 0.00 H new ATOM 248 N TRP A 21 -3.773 -10.528 -0.533 1.00 0.00 N ATOM 249 CA TRP A 21 -3.627 -9.401 -1.447 1.00 0.00 C ATOM 250 C TRP A 21 -3.188 -9.874 -2.829 1.00 0.00 C ATOM 251 O TRP A 21 -2.151 -10.522 -2.974 1.00 0.00 O ATOM 252 CB TRP A 21 -2.615 -8.396 -0.893 1.00 0.00 C ATOM 253 CG TRP A 21 -3.195 -7.478 0.140 1.00 0.00 C ATOM 254 CD1 TRP A 21 -3.412 -7.760 1.458 1.00 0.00 C ATOM 255 CD2 TRP A 21 -3.634 -6.130 -0.062 1.00 0.00 C ATOM 256 NE1 TRP A 21 -3.959 -6.668 2.089 1.00 0.00 N ATOM 257 CE2 TRP A 21 -4.104 -5.655 1.178 1.00 0.00 C ATOM 258 CE3 TRP A 21 -3.673 -5.277 -1.168 1.00 0.00 C ATOM 259 CZ2 TRP A 21 -4.608 -4.367 1.340 1.00 0.00 C ATOM 260 CZ3 TRP A 21 -4.173 -3.999 -1.006 1.00 0.00 C ATOM 261 CH2 TRP A 21 -4.635 -3.554 0.240 1.00 0.00 C ATOM 0 H TRP A 21 -2.924 -10.770 -0.022 1.00 0.00 H new ATOM 0 HA TRP A 21 -4.598 -8.914 -1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.776 -8.939 -0.457 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.217 -7.801 -1.715 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.187 -8.703 1.935 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.215 -6.620 3.075 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -3.319 -5.611 -2.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.965 -4.022 2.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.208 -3.332 -1.854 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.020 -2.549 0.334 1.00 0.00 H new ATOM 272 N THR A 22 -3.983 -9.546 -3.843 1.00 0.00 N ATOM 273 CA THR A 22 -3.676 -9.938 -5.212 1.00 0.00 C ATOM 274 C THR A 22 -2.918 -8.836 -5.943 1.00 0.00 C ATOM 275 O THR A 22 -3.169 -7.651 -5.729 1.00 0.00 O ATOM 276 CB THR A 22 -4.956 -10.274 -6.000 1.00 0.00 C ATOM 277 OG1 THR A 22 -5.938 -9.252 -5.799 1.00 0.00 O ATOM 278 CG2 THR A 22 -5.521 -11.619 -5.567 1.00 0.00 C ATOM 0 H THR A 22 -4.845 -9.010 -3.741 1.00 0.00 H new ATOM 0 HA THR A 22 -3.050 -10.828 -5.153 1.00 0.00 H new ATOM 0 HB THR A 22 -4.700 -10.329 -7.058 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.748 -9.473 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.425 -11.835 -6.137 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.782 -12.400 -5.749 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.762 -11.588 -4.504 1.00 0.00 H new ATOM 286 N GLU A 23 -1.989 -9.235 -6.807 1.00 0.00 N ATOM 287 CA GLU A 23 -1.195 -8.279 -7.569 1.00 0.00 C ATOM 288 C GLU A 23 -2.024 -7.052 -7.935 1.00 0.00 C ATOM 289 O GLU A 23 -1.530 -5.925 -7.904 1.00 0.00 O ATOM 290 CB GLU A 23 -0.647 -8.935 -8.838 1.00 0.00 C ATOM 291 CG GLU A 23 0.160 -7.990 -9.712 1.00 0.00 C ATOM 292 CD GLU A 23 -0.697 -7.256 -10.725 1.00 0.00 C ATOM 293 OE1 GLU A 23 -1.016 -7.853 -11.774 1.00 0.00 O ATOM 294 OE2 GLU A 23 -1.049 -6.086 -10.468 1.00 0.00 O ATOM 0 H GLU A 23 -1.768 -10.213 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.361 -7.959 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.020 -9.782 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.479 -9.333 -9.419 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.671 -7.264 -9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.931 -8.555 -10.236 1.00 0.00 H new ATOM 301 N GLN A 24 -3.286 -7.280 -8.283 1.00 0.00 N ATOM 302 CA GLN A 24 -4.184 -6.193 -8.657 1.00 0.00 C ATOM 303 C GLN A 24 -4.343 -5.200 -7.510 1.00 0.00 C ATOM 304 O GLN A 24 -4.192 -3.993 -7.698 1.00 0.00 O ATOM 305 CB GLN A 24 -5.551 -6.749 -9.060 1.00 0.00 C ATOM 306 CG GLN A 24 -6.468 -5.711 -9.687 1.00 0.00 C ATOM 307 CD GLN A 24 -7.935 -6.074 -9.557 1.00 0.00 C ATOM 308 OE1 GLN A 24 -8.292 -7.250 -9.495 1.00 0.00 O ATOM 309 NE2 GLN A 24 -8.794 -5.062 -9.515 1.00 0.00 N ATOM 0 H GLN A 24 -3.710 -8.207 -8.314 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.747 -5.670 -9.508 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.408 -7.568 -9.765 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.038 -7.168 -8.179 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.293 -4.744 -9.214 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.217 -5.600 -10.742 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.454 -4.102 -9.570 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.794 -5.245 -9.428 1.00 0.00 H new ATOM 318 N GLU A 25 -4.649 -5.717 -6.324 1.00 0.00 N ATOM 319 CA GLU A 25 -4.830 -4.874 -5.148 1.00 0.00 C ATOM 320 C GLU A 25 -3.555 -4.097 -4.835 1.00 0.00 C ATOM 321 O GLU A 25 -3.576 -2.873 -4.700 1.00 0.00 O ATOM 322 CB GLU A 25 -5.232 -5.724 -3.941 1.00 0.00 C ATOM 323 CG GLU A 25 -6.598 -6.375 -4.083 1.00 0.00 C ATOM 324 CD GLU A 25 -7.059 -7.046 -2.804 1.00 0.00 C ATOM 325 OE1 GLU A 25 -6.732 -8.236 -2.608 1.00 0.00 O ATOM 326 OE2 GLU A 25 -7.748 -6.384 -2.000 1.00 0.00 O ATOM 0 H GLU A 25 -4.777 -6.714 -6.152 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.626 -4.161 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.483 -6.501 -3.789 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.228 -5.098 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.328 -5.620 -4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.563 -7.113 -4.884 1.00 0.00 H new ATOM 333 N THR A 26 -2.443 -4.817 -4.719 1.00 0.00 N ATOM 334 CA THR A 26 -1.158 -4.197 -4.420 1.00 0.00 C ATOM 335 C THR A 26 -1.004 -2.871 -5.155 1.00 0.00 C ATOM 336 O THR A 26 -0.683 -1.847 -4.549 1.00 0.00 O ATOM 337 CB THR A 26 0.014 -5.122 -4.800 1.00 0.00 C ATOM 338 OG1 THR A 26 -0.092 -6.362 -4.093 1.00 0.00 O ATOM 339 CG2 THR A 26 1.348 -4.463 -4.483 1.00 0.00 C ATOM 0 H THR A 26 -2.407 -5.831 -4.828 1.00 0.00 H new ATOM 0 HA THR A 26 -1.135 -4.018 -3.345 1.00 0.00 H new ATOM 0 HB THR A 26 -0.034 -5.311 -5.872 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.656 -6.945 -4.341 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.161 -5.135 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.438 -3.534 -5.046 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.403 -4.248 -3.416 1.00 0.00 H new ATOM 347 N LEU A 27 -1.233 -2.894 -6.463 1.00 0.00 N ATOM 348 CA LEU A 27 -1.120 -1.692 -7.281 1.00 0.00 C ATOM 349 C LEU A 27 -2.055 -0.598 -6.774 1.00 0.00 C ATOM 350 O LEU A 27 -1.617 0.507 -6.449 1.00 0.00 O ATOM 351 CB LEU A 27 -1.438 -2.014 -8.742 1.00 0.00 C ATOM 352 CG LEU A 27 -0.256 -2.461 -9.603 1.00 0.00 C ATOM 353 CD1 LEU A 27 -0.746 -3.062 -10.911 1.00 0.00 C ATOM 354 CD2 LEU A 27 0.682 -1.293 -9.870 1.00 0.00 C ATOM 0 H LEU A 27 -1.498 -3.732 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.095 -1.329 -7.210 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.195 -2.798 -8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.882 -1.130 -9.200 1.00 0.00 H new ATOM 0 HG LEU A 27 0.296 -3.227 -9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.109 -3.374 -11.511 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.377 -3.926 -10.701 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.322 -2.317 -11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.517 -1.630 -10.484 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.141 -0.505 -10.394 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.060 -0.907 -8.924 1.00 0.00 H new ATOM 366 N LEU A 28 -3.344 -0.913 -6.707 1.00 0.00 N ATOM 367 CA LEU A 28 -4.341 0.042 -6.237 1.00 0.00 C ATOM 368 C LEU A 28 -3.838 0.795 -5.010 1.00 0.00 C ATOM 369 O LEU A 28 -3.864 2.026 -4.970 1.00 0.00 O ATOM 370 CB LEU A 28 -5.650 -0.678 -5.907 1.00 0.00 C ATOM 371 CG LEU A 28 -6.424 -1.243 -7.098 1.00 0.00 C ATOM 372 CD1 LEU A 28 -7.451 -2.264 -6.632 1.00 0.00 C ATOM 373 CD2 LEU A 28 -7.099 -0.122 -7.876 1.00 0.00 C ATOM 0 H LEU A 28 -3.723 -1.822 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.521 0.763 -7.034 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.428 -1.496 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.299 0.017 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.718 -1.744 -7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.992 -2.655 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.944 -3.082 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.153 -1.787 -5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.645 -0.543 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.792 0.408 -7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.343 0.573 -8.243 1.00 0.00 H new ATOM 385 N LEU A 29 -3.379 0.049 -4.012 1.00 0.00 N ATOM 386 CA LEU A 29 -2.867 0.646 -2.783 1.00 0.00 C ATOM 387 C LEU A 29 -1.895 1.781 -3.093 1.00 0.00 C ATOM 388 O LEU A 29 -1.965 2.854 -2.492 1.00 0.00 O ATOM 389 CB LEU A 29 -2.174 -0.415 -1.927 1.00 0.00 C ATOM 390 CG LEU A 29 -1.530 0.082 -0.632 1.00 0.00 C ATOM 391 CD1 LEU A 29 -2.597 0.471 0.379 1.00 0.00 C ATOM 392 CD2 LEU A 29 -0.606 -0.979 -0.054 1.00 0.00 C ATOM 0 H LEU A 29 -3.351 -0.970 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.711 1.056 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.905 -1.183 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.404 -0.894 -2.531 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.935 0.967 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.120 0.822 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.218 1.266 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.219 -0.396 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.157 -0.608 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.178 -1.882 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.180 -1.209 -0.774 1.00 0.00 H new ATOM 404 N LEU A 30 -0.991 1.537 -4.035 1.00 0.00 N ATOM 405 CA LEU A 30 -0.005 2.539 -4.427 1.00 0.00 C ATOM 406 C LEU A 30 -0.679 3.732 -5.097 1.00 0.00 C ATOM 407 O LEU A 30 -0.484 4.876 -4.689 1.00 0.00 O ATOM 408 CB LEU A 30 1.027 1.924 -5.373 1.00 0.00 C ATOM 409 CG LEU A 30 1.780 0.703 -4.843 1.00 0.00 C ATOM 410 CD1 LEU A 30 2.606 0.064 -5.948 1.00 0.00 C ATOM 411 CD2 LEU A 30 2.666 1.091 -3.668 1.00 0.00 C ATOM 0 H LEU A 30 -0.920 0.655 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 30 0.500 2.889 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.521 1.641 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.756 2.692 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 30 1.050 -0.027 -4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.135 -0.803 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.948 -0.251 -6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.328 0.787 -6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.194 0.210 -3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.389 1.840 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.050 1.501 -2.868 1.00 0.00 H new ATOM 423 N GLU A 31 -1.474 3.455 -6.126 1.00 0.00 N ATOM 424 CA GLU A 31 -2.177 4.507 -6.851 1.00 0.00 C ATOM 425 C GLU A 31 -2.710 5.567 -5.892 1.00 0.00 C ATOM 426 O GLU A 31 -2.478 6.761 -6.079 1.00 0.00 O ATOM 427 CB GLU A 31 -3.331 3.913 -7.663 1.00 0.00 C ATOM 428 CG GLU A 31 -3.760 4.780 -8.835 1.00 0.00 C ATOM 429 CD GLU A 31 -4.769 4.091 -9.732 1.00 0.00 C ATOM 430 OE1 GLU A 31 -4.657 2.861 -9.917 1.00 0.00 O ATOM 431 OE2 GLU A 31 -5.672 4.782 -10.249 1.00 0.00 O ATOM 0 H GLU A 31 -1.647 2.513 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.468 4.980 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.035 2.933 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.186 3.758 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.189 5.708 -8.457 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.882 5.050 -9.422 1.00 0.00 H new ATOM 438 N ALA A 32 -3.425 5.121 -4.864 1.00 0.00 N ATOM 439 CA ALA A 32 -3.989 6.031 -3.874 1.00 0.00 C ATOM 440 C ALA A 32 -2.896 6.644 -3.006 1.00 0.00 C ATOM 441 O ALA A 32 -2.939 7.832 -2.683 1.00 0.00 O ATOM 442 CB ALA A 32 -5.007 5.303 -3.008 1.00 0.00 C ATOM 0 H ALA A 32 -3.627 4.136 -4.695 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.491 6.840 -4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.420 5.994 -2.273 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.810 4.918 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.521 4.474 -2.493 1.00 0.00 H new ATOM 448 N LEU A 33 -1.917 5.828 -2.632 1.00 0.00 N ATOM 449 CA LEU A 33 -0.811 6.291 -1.800 1.00 0.00 C ATOM 450 C LEU A 33 -0.195 7.564 -2.372 1.00 0.00 C ATOM 451 O LEU A 33 0.511 8.291 -1.674 1.00 0.00 O ATOM 452 CB LEU A 33 0.256 5.202 -1.683 1.00 0.00 C ATOM 453 CG LEU A 33 0.086 4.216 -0.527 1.00 0.00 C ATOM 454 CD1 LEU A 33 1.086 3.076 -0.645 1.00 0.00 C ATOM 455 CD2 LEU A 33 0.241 4.928 0.809 1.00 0.00 C ATOM 0 H LEU A 33 -1.866 4.843 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.204 6.514 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.274 4.638 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.229 5.684 -1.583 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.919 3.797 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.949 2.385 0.187 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.927 2.548 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.099 3.477 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.117 4.211 1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.233 5.376 0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.515 5.708 0.896 1.00 0.00 H new ATOM 467 N GLU A 34 -0.469 7.827 -3.646 1.00 0.00 N ATOM 468 CA GLU A 34 0.058 9.013 -4.310 1.00 0.00 C ATOM 469 C GLU A 34 -0.862 10.211 -4.096 1.00 0.00 C ATOM 470 O GLU A 34 -0.403 11.319 -3.820 1.00 0.00 O ATOM 471 CB GLU A 34 0.232 8.751 -5.808 1.00 0.00 C ATOM 472 CG GLU A 34 1.512 8.008 -6.151 1.00 0.00 C ATOM 473 CD GLU A 34 1.752 6.812 -5.250 1.00 0.00 C ATOM 474 OE1 GLU A 34 1.968 7.016 -4.037 1.00 0.00 O ATOM 475 OE2 GLU A 34 1.724 5.672 -5.759 1.00 0.00 O ATOM 0 H GLU A 34 -1.052 7.235 -4.238 1.00 0.00 H new ATOM 0 HA GLU A 34 1.030 9.241 -3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.620 8.175 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.221 9.703 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.467 7.674 -7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.357 8.692 -6.073 1.00 0.00 H new ATOM 482 N MET A 35 -2.165 9.980 -4.226 1.00 0.00 N ATOM 483 CA MET A 35 -3.150 11.039 -4.046 1.00 0.00 C ATOM 484 C MET A 35 -3.572 11.147 -2.584 1.00 0.00 C ATOM 485 O MET A 35 -3.419 12.197 -1.959 1.00 0.00 O ATOM 486 CB MET A 35 -4.376 10.780 -4.924 1.00 0.00 C ATOM 487 CG MET A 35 -4.072 10.804 -6.414 1.00 0.00 C ATOM 488 SD MET A 35 -5.547 10.591 -7.427 1.00 0.00 S ATOM 489 CE MET A 35 -5.917 8.864 -7.129 1.00 0.00 C ATOM 0 H MET A 35 -2.562 9.069 -4.455 1.00 0.00 H new ATOM 0 HA MET A 35 -2.691 11.981 -4.344 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.801 9.811 -4.664 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.135 11.530 -4.704 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.595 11.750 -6.668 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.358 10.014 -6.648 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.668 8.524 -7.843 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.010 8.272 -7.247 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.299 8.743 -6.115 1.00 0.00 H new ATOM 499 N TYR A 36 -4.104 10.056 -2.044 1.00 0.00 N ATOM 500 CA TYR A 36 -4.550 10.029 -0.657 1.00 0.00 C ATOM 501 C TYR A 36 -3.467 9.456 0.253 1.00 0.00 C ATOM 502 O TYR A 36 -3.760 8.754 1.222 1.00 0.00 O ATOM 503 CB TYR A 36 -5.831 9.203 -0.527 1.00 0.00 C ATOM 504 CG TYR A 36 -6.839 9.473 -1.620 1.00 0.00 C ATOM 505 CD1 TYR A 36 -7.252 10.769 -1.907 1.00 0.00 C ATOM 506 CD2 TYR A 36 -7.381 8.433 -2.366 1.00 0.00 C ATOM 507 CE1 TYR A 36 -8.173 11.021 -2.905 1.00 0.00 C ATOM 508 CE2 TYR A 36 -8.302 8.676 -3.367 1.00 0.00 C ATOM 509 CZ TYR A 36 -8.695 9.971 -3.632 1.00 0.00 C ATOM 510 OH TYR A 36 -9.613 10.217 -4.627 1.00 0.00 O ATOM 0 H TYR A 36 -4.237 9.178 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.754 11.054 -0.348 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.573 8.144 -0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.291 9.411 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.846 11.593 -1.340 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.077 7.417 -2.160 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.483 12.034 -3.115 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.712 7.856 -3.939 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.880 9.370 -5.042 1.00 0.00 H new ATOM 520 N LYS A 37 -2.214 9.761 -0.066 1.00 0.00 N ATOM 521 CA LYS A 37 -1.085 9.279 0.721 1.00 0.00 C ATOM 522 C LYS A 37 -1.447 9.203 2.201 1.00 0.00 C ATOM 523 O LYS A 37 -1.344 8.145 2.822 1.00 0.00 O ATOM 524 CB LYS A 37 0.126 10.195 0.528 1.00 0.00 C ATOM 525 CG LYS A 37 1.329 9.797 1.364 1.00 0.00 C ATOM 526 CD LYS A 37 2.524 10.694 1.086 1.00 0.00 C ATOM 527 CE LYS A 37 3.697 10.358 1.993 1.00 0.00 C ATOM 528 NZ LYS A 37 4.707 11.452 2.022 1.00 0.00 N ATOM 0 H LYS A 37 -1.954 10.340 -0.865 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.834 8.277 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.409 10.192 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.158 11.217 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.072 9.850 2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.594 8.761 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.826 10.587 0.044 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.239 11.736 1.229 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.333 10.173 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.169 9.437 1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.491 11.184 2.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.073 11.612 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.264 12.325 2.373 1.00 0.00 H new ATOM 542 N ASP A 38 -1.871 10.331 2.760 1.00 0.00 N ATOM 543 CA ASP A 38 -2.251 10.392 4.167 1.00 0.00 C ATOM 544 C ASP A 38 -3.723 10.034 4.349 1.00 0.00 C ATOM 545 O ASP A 38 -4.074 9.228 5.210 1.00 0.00 O ATOM 546 CB ASP A 38 -1.979 11.787 4.731 1.00 0.00 C ATOM 547 CG ASP A 38 -2.393 12.889 3.776 1.00 0.00 C ATOM 548 OD1 ASP A 38 -1.654 13.136 2.800 1.00 0.00 O ATOM 549 OD2 ASP A 38 -3.456 13.504 4.004 1.00 0.00 O ATOM 0 H ASP A 38 -1.960 11.216 2.260 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.649 9.665 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.515 11.906 5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.917 11.884 4.955 1.00 0.00 H new ATOM 554 N ASP A 39 -4.578 10.640 3.533 1.00 0.00 N ATOM 555 CA ASP A 39 -6.013 10.386 3.603 1.00 0.00 C ATOM 556 C ASP A 39 -6.307 8.894 3.479 1.00 0.00 C ATOM 557 O ASP A 39 -6.618 8.401 2.395 1.00 0.00 O ATOM 558 CB ASP A 39 -6.743 11.156 2.502 1.00 0.00 C ATOM 559 CG ASP A 39 -7.117 12.562 2.928 1.00 0.00 C ATOM 560 OD1 ASP A 39 -6.235 13.445 2.895 1.00 0.00 O ATOM 561 OD2 ASP A 39 -8.291 12.778 3.295 1.00 0.00 O ATOM 0 H ASP A 39 -4.303 11.311 2.815 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.371 10.729 4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.110 11.204 1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.645 10.613 2.220 1.00 0.00 H new ATOM 566 N TRP A 40 -6.205 8.182 4.595 1.00 0.00 N ATOM 567 CA TRP A 40 -6.460 6.746 4.611 1.00 0.00 C ATOM 568 C TRP A 40 -7.927 6.450 4.324 1.00 0.00 C ATOM 569 O TRP A 40 -8.248 5.535 3.566 1.00 0.00 O ATOM 570 CB TRP A 40 -6.062 6.152 5.963 1.00 0.00 C ATOM 571 CG TRP A 40 -4.583 6.164 6.206 1.00 0.00 C ATOM 572 CD1 TRP A 40 -3.892 7.018 7.018 1.00 0.00 C ATOM 573 CD2 TRP A 40 -3.613 5.283 5.629 1.00 0.00 C ATOM 574 NE1 TRP A 40 -2.551 6.721 6.981 1.00 0.00 N ATOM 575 CE2 TRP A 40 -2.354 5.660 6.137 1.00 0.00 C ATOM 576 CE3 TRP A 40 -3.685 4.212 4.735 1.00 0.00 C ATOM 577 CZ2 TRP A 40 -1.180 5.003 5.778 1.00 0.00 C ATOM 578 CZ3 TRP A 40 -2.518 3.561 4.380 1.00 0.00 C ATOM 579 CH2 TRP A 40 -1.280 3.958 4.901 1.00 0.00 C ATOM 0 H TRP A 40 -5.948 8.575 5.500 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.857 6.286 3.828 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.558 6.710 6.757 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.424 5.126 6.021 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.335 7.810 7.603 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -1.821 7.211 7.498 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.635 3.898 4.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -0.224 5.308 6.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.562 2.732 3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.387 3.429 4.604 1.00 0.00 H new ATOM 590 N ASN A 41 -8.814 7.229 4.934 1.00 0.00 N ATOM 591 CA ASN A 41 -10.249 7.049 4.743 1.00 0.00 C ATOM 592 C ASN A 41 -10.571 6.759 3.280 1.00 0.00 C ATOM 593 O ASN A 41 -11.335 5.845 2.970 1.00 0.00 O ATOM 594 CB ASN A 41 -11.007 8.295 5.206 1.00 0.00 C ATOM 595 CG ASN A 41 -12.396 7.969 5.720 1.00 0.00 C ATOM 596 OD1 ASN A 41 -12.927 6.888 5.464 1.00 0.00 O ATOM 597 ND2 ASN A 41 -12.991 8.906 6.449 1.00 0.00 N ATOM 0 H ASN A 41 -8.565 7.991 5.565 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.566 6.196 5.343 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.439 8.791 5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.085 8.998 4.377 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.926 8.744 6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.513 9.787 6.636 1.00 0.00 H new ATOM 604 N LYS A 42 -9.982 7.544 2.384 1.00 0.00 N ATOM 605 CA LYS A 42 -10.203 7.372 0.953 1.00 0.00 C ATOM 606 C LYS A 42 -9.453 6.152 0.429 1.00 0.00 C ATOM 607 O LYS A 42 -9.989 5.371 -0.358 1.00 0.00 O ATOM 608 CB LYS A 42 -9.757 8.623 0.193 1.00 0.00 C ATOM 609 CG LYS A 42 -10.858 9.656 0.022 1.00 0.00 C ATOM 610 CD LYS A 42 -11.636 9.434 -1.264 1.00 0.00 C ATOM 611 CE LYS A 42 -12.494 8.180 -1.187 1.00 0.00 C ATOM 612 NZ LYS A 42 -13.405 8.203 -0.010 1.00 0.00 N ATOM 0 H LYS A 42 -9.348 8.306 2.624 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.270 7.217 0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.920 9.080 0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.390 8.329 -0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.538 9.608 0.873 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.423 10.655 0.017 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.270 10.298 -1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.942 9.351 -2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.082 8.086 -2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.850 7.302 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.053 7.545 0.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.440 9.165 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.360 7.915 -0.304 1.00 0.00 H new ATOM 626 N VAL A 43 -8.210 5.992 0.872 1.00 0.00 N ATOM 627 CA VAL A 43 -7.387 4.865 0.449 1.00 0.00 C ATOM 628 C VAL A 43 -8.170 3.559 0.512 1.00 0.00 C ATOM 629 O VAL A 43 -8.212 2.801 -0.458 1.00 0.00 O ATOM 630 CB VAL A 43 -6.123 4.735 1.321 1.00 0.00 C ATOM 631 CG1 VAL A 43 -5.436 3.401 1.070 1.00 0.00 C ATOM 632 CG2 VAL A 43 -5.172 5.892 1.056 1.00 0.00 C ATOM 0 H VAL A 43 -7.751 6.628 1.524 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.091 5.059 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.420 4.772 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.546 3.327 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.119 2.588 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.150 3.331 0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.285 5.784 1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.879 5.889 0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.669 6.833 1.292 1.00 0.00 H new ATOM 642 N SER A 44 -8.791 3.301 1.658 1.00 0.00 N ATOM 643 CA SER A 44 -9.572 2.084 1.849 1.00 0.00 C ATOM 644 C SER A 44 -10.663 1.967 0.789 1.00 0.00 C ATOM 645 O SER A 44 -11.061 0.865 0.413 1.00 0.00 O ATOM 646 CB SER A 44 -10.197 2.068 3.245 1.00 0.00 C ATOM 647 OG SER A 44 -11.135 3.119 3.396 1.00 0.00 O ATOM 0 H SER A 44 -8.769 3.919 2.469 1.00 0.00 H new ATOM 0 HA SER A 44 -8.901 1.231 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.689 1.110 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.415 2.163 3.998 1.00 0.00 H new ATOM 0 HG SER A 44 -10.713 3.971 3.157 1.00 0.00 H new ATOM 653 N GLU A 45 -11.141 3.112 0.312 1.00 0.00 N ATOM 654 CA GLU A 45 -12.187 3.138 -0.704 1.00 0.00 C ATOM 655 C GLU A 45 -11.599 2.923 -2.096 1.00 0.00 C ATOM 656 O GLU A 45 -12.171 2.211 -2.921 1.00 0.00 O ATOM 657 CB GLU A 45 -12.942 4.468 -0.657 1.00 0.00 C ATOM 658 CG GLU A 45 -13.753 4.663 0.613 1.00 0.00 C ATOM 659 CD GLU A 45 -14.703 3.512 0.881 1.00 0.00 C ATOM 660 OE1 GLU A 45 -15.450 3.133 -0.046 1.00 0.00 O ATOM 661 OE2 GLU A 45 -14.700 2.991 2.015 1.00 0.00 O ATOM 0 H GLU A 45 -10.821 4.033 0.612 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.883 2.326 -0.493 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.227 5.285 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.609 4.528 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.075 4.774 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.323 5.589 0.537 1.00 0.00 H new ATOM 668 N HIS A 46 -10.452 3.546 -2.350 1.00 0.00 N ATOM 669 CA HIS A 46 -9.785 3.423 -3.641 1.00 0.00 C ATOM 670 C HIS A 46 -9.606 1.957 -4.024 1.00 0.00 C ATOM 671 O HIS A 46 -9.966 1.544 -5.126 1.00 0.00 O ATOM 672 CB HIS A 46 -8.426 4.122 -3.605 1.00 0.00 C ATOM 673 CG HIS A 46 -7.559 3.808 -4.786 1.00 0.00 C ATOM 674 ND1 HIS A 46 -7.416 4.657 -5.862 1.00 0.00 N ATOM 675 CD2 HIS A 46 -6.786 2.729 -5.054 1.00 0.00 C ATOM 676 CE1 HIS A 46 -6.594 4.115 -6.743 1.00 0.00 C ATOM 677 NE2 HIS A 46 -6.198 2.944 -6.276 1.00 0.00 N ATOM 0 H HIS A 46 -9.966 4.141 -1.679 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.412 3.902 -4.393 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.582 5.200 -3.556 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.902 3.834 -2.693 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -7.874 5.563 -5.963 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.656 1.861 -4.424 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.297 4.554 -7.684 1.00 0.00 H new ATOM 686 N VAL A 47 -9.048 1.175 -3.105 1.00 0.00 N ATOM 687 CA VAL A 47 -8.822 -0.245 -3.346 1.00 0.00 C ATOM 688 C VAL A 47 -10.116 -0.949 -3.740 1.00 0.00 C ATOM 689 O VAL A 47 -10.238 -1.472 -4.847 1.00 0.00 O ATOM 690 CB VAL A 47 -8.231 -0.938 -2.104 1.00 0.00 C ATOM 691 CG1 VAL A 47 -7.985 -2.414 -2.381 1.00 0.00 C ATOM 692 CG2 VAL A 47 -6.947 -0.248 -1.669 1.00 0.00 C ATOM 0 H VAL A 47 -8.744 1.501 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.109 -0.317 -4.167 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.952 -0.861 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.567 -2.886 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.927 -2.897 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.284 -2.517 -3.210 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.543 -0.751 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.218 -0.291 -2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.158 0.793 -1.426 1.00 0.00 H new ATOM 702 N GLY A 48 -11.081 -0.957 -2.825 1.00 0.00 N ATOM 703 CA GLY A 48 -12.354 -1.599 -3.096 1.00 0.00 C ATOM 704 C GLY A 48 -12.738 -2.600 -2.024 1.00 0.00 C ATOM 705 O GLY A 48 -13.726 -2.412 -1.315 1.00 0.00 O ATOM 0 H GLY A 48 -11.004 -0.531 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.131 -0.839 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.304 -2.105 -4.060 1.00 0.00 H new ATOM 709 N SER A 49 -11.955 -3.668 -1.906 1.00 0.00 N ATOM 710 CA SER A 49 -12.221 -4.706 -0.917 1.00 0.00 C ATOM 711 C SER A 49 -11.188 -4.665 0.205 1.00 0.00 C ATOM 712 O SER A 49 -10.580 -5.681 0.541 1.00 0.00 O ATOM 713 CB SER A 49 -12.217 -6.084 -1.580 1.00 0.00 C ATOM 714 OG SER A 49 -13.075 -6.111 -2.707 1.00 0.00 O ATOM 0 H SER A 49 -11.131 -3.837 -2.483 1.00 0.00 H new ATOM 0 HA SER A 49 -13.205 -4.521 -0.487 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.203 -6.341 -1.885 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.534 -6.838 -0.860 1.00 0.00 H new ATOM 0 HG SER A 49 -13.053 -7.002 -3.114 1.00 0.00 H new ATOM 720 N ARG A 50 -10.996 -3.482 0.781 1.00 0.00 N ATOM 721 CA ARG A 50 -10.036 -3.307 1.864 1.00 0.00 C ATOM 722 C ARG A 50 -10.457 -2.164 2.784 1.00 0.00 C ATOM 723 O ARG A 50 -11.108 -1.213 2.352 1.00 0.00 O ATOM 724 CB ARG A 50 -8.641 -3.035 1.299 1.00 0.00 C ATOM 725 CG ARG A 50 -8.043 -4.218 0.555 1.00 0.00 C ATOM 726 CD ARG A 50 -7.675 -5.345 1.506 1.00 0.00 C ATOM 727 NE ARG A 50 -7.355 -6.580 0.794 1.00 0.00 N ATOM 728 CZ ARG A 50 -7.090 -7.731 1.402 1.00 0.00 C ATOM 729 NH1 ARG A 50 -7.108 -7.805 2.726 1.00 0.00 N ATOM 730 NH2 ARG A 50 -6.808 -8.811 0.685 1.00 0.00 N ATOM 0 H ARG A 50 -11.492 -2.631 0.516 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.011 -4.228 2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.692 -2.181 0.624 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.975 -2.757 2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.756 -4.583 -0.184 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.156 -3.896 0.010 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.820 -5.044 2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.503 -5.526 2.191 1.00 0.00 H new ATOM 0 HE ARG A 50 -7.334 -6.557 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.326 -6.977 3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.904 -8.690 3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.795 -8.758 -0.334 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.605 -9.695 1.152 1.00 0.00 H new ATOM 744 N THR A 51 -10.080 -2.265 4.055 1.00 0.00 N ATOM 745 CA THR A 51 -10.419 -1.242 5.035 1.00 0.00 C ATOM 746 C THR A 51 -9.188 -0.439 5.440 1.00 0.00 C ATOM 747 O THR A 51 -8.063 -0.936 5.375 1.00 0.00 O ATOM 748 CB THR A 51 -11.052 -1.860 6.296 1.00 0.00 C ATOM 749 OG1 THR A 51 -11.468 -0.824 7.193 1.00 0.00 O ATOM 750 CG2 THR A 51 -10.068 -2.782 7.000 1.00 0.00 C ATOM 0 H THR A 51 -9.540 -3.045 4.429 1.00 0.00 H new ATOM 0 HA THR A 51 -11.143 -0.579 4.562 1.00 0.00 H new ATOM 0 HB THR A 51 -11.919 -2.446 5.990 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.871 -1.225 7.991 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.538 -3.206 7.887 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.776 -3.586 6.325 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.184 -2.215 7.293 1.00 0.00 H new ATOM 758 N GLN A 52 -9.408 0.803 5.859 1.00 0.00 N ATOM 759 CA GLN A 52 -8.315 1.674 6.274 1.00 0.00 C ATOM 760 C GLN A 52 -7.211 0.874 6.957 1.00 0.00 C ATOM 761 O GLN A 52 -6.072 0.846 6.491 1.00 0.00 O ATOM 762 CB GLN A 52 -8.832 2.761 7.218 1.00 0.00 C ATOM 763 CG GLN A 52 -9.846 3.693 6.575 1.00 0.00 C ATOM 764 CD GLN A 52 -10.581 4.545 7.591 1.00 0.00 C ATOM 765 OE1 GLN A 52 -10.093 4.772 8.698 1.00 0.00 O ATOM 766 NE2 GLN A 52 -11.763 5.023 7.218 1.00 0.00 N ATOM 0 H GLN A 52 -10.333 1.229 5.920 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.900 2.144 5.383 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.286 2.288 8.089 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.988 3.349 7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.337 4.342 5.863 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.568 3.104 6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.130 4.810 6.290 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.304 5.603 7.859 1.00 0.00 H new ATOM 775 N ASP A 53 -7.556 0.224 8.064 1.00 0.00 N ATOM 776 CA ASP A 53 -6.594 -0.577 8.811 1.00 0.00 C ATOM 777 C ASP A 53 -5.809 -1.494 7.878 1.00 0.00 C ATOM 778 O ASP A 53 -4.596 -1.354 7.731 1.00 0.00 O ATOM 779 CB ASP A 53 -7.309 -1.407 9.878 1.00 0.00 C ATOM 780 CG ASP A 53 -8.384 -0.619 10.600 1.00 0.00 C ATOM 781 OD1 ASP A 53 -8.279 0.625 10.644 1.00 0.00 O ATOM 782 OD2 ASP A 53 -9.331 -1.245 11.121 1.00 0.00 O ATOM 0 H ASP A 53 -8.495 0.237 8.463 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.894 0.102 9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.757 -2.284 9.412 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.579 -1.769 10.602 1.00 0.00 H new ATOM 787 N GLU A 54 -6.511 -2.433 7.251 1.00 0.00 N ATOM 788 CA GLU A 54 -5.879 -3.374 6.333 1.00 0.00 C ATOM 789 C GLU A 54 -4.874 -2.663 5.432 1.00 0.00 C ATOM 790 O GLU A 54 -3.708 -3.053 5.356 1.00 0.00 O ATOM 791 CB GLU A 54 -6.937 -4.078 5.481 1.00 0.00 C ATOM 792 CG GLU A 54 -7.786 -5.068 6.259 1.00 0.00 C ATOM 793 CD GLU A 54 -9.011 -5.520 5.487 1.00 0.00 C ATOM 794 OE1 GLU A 54 -8.854 -5.947 4.324 1.00 0.00 O ATOM 795 OE2 GLU A 54 -10.125 -5.445 6.045 1.00 0.00 O ATOM 0 H GLU A 54 -7.517 -2.562 7.362 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.346 -4.118 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.588 -3.328 5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.443 -4.601 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.181 -5.938 6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.101 -4.612 7.198 1.00 0.00 H new ATOM 802 N CYS A 55 -5.334 -1.620 4.751 1.00 0.00 N ATOM 803 CA CYS A 55 -4.476 -0.854 3.853 1.00 0.00 C ATOM 804 C CYS A 55 -3.169 -0.475 4.542 1.00 0.00 C ATOM 805 O CYS A 55 -2.084 -0.795 4.056 1.00 0.00 O ATOM 806 CB CYS A 55 -5.199 0.406 3.374 1.00 0.00 C ATOM 807 SG CYS A 55 -6.633 0.079 2.323 1.00 0.00 S ATOM 0 H CYS A 55 -6.296 -1.285 4.803 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.243 -1.479 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.522 0.979 4.243 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.494 1.030 2.825 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.606 -0.387 3.049 1.00 0.00 H new ATOM 813 N ILE A 56 -3.281 0.211 5.675 1.00 0.00 N ATOM 814 CA ILE A 56 -2.108 0.634 6.430 1.00 0.00 C ATOM 815 C ILE A 56 -1.131 -0.520 6.620 1.00 0.00 C ATOM 816 O ILE A 56 0.072 -0.373 6.400 1.00 0.00 O ATOM 817 CB ILE A 56 -2.499 1.195 7.810 1.00 0.00 C ATOM 818 CG1 ILE A 56 -3.405 2.417 7.650 1.00 0.00 C ATOM 819 CG2 ILE A 56 -1.255 1.551 8.609 1.00 0.00 C ATOM 820 CD1 ILE A 56 -4.326 2.645 8.829 1.00 0.00 C ATOM 0 H ILE A 56 -4.172 0.485 6.090 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.627 1.422 5.850 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.049 0.428 8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.785 3.302 7.507 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.005 2.299 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.548 1.946 9.582 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.645 0.659 8.749 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.679 2.304 8.070 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.939 3.528 8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.971 1.776 8.960 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.732 2.796 9.731 1.00 0.00 H new ATOM 832 N LEU A 57 -1.655 -1.670 7.030 1.00 0.00 N ATOM 833 CA LEU A 57 -0.829 -2.853 7.248 1.00 0.00 C ATOM 834 C LEU A 57 -0.107 -3.258 5.967 1.00 0.00 C ATOM 835 O LEU A 57 1.123 -3.292 5.919 1.00 0.00 O ATOM 836 CB LEU A 57 -1.689 -4.014 7.752 1.00 0.00 C ATOM 837 CG LEU A 57 -2.592 -3.711 8.947 1.00 0.00 C ATOM 838 CD1 LEU A 57 -3.592 -4.837 9.160 1.00 0.00 C ATOM 839 CD2 LEU A 57 -1.760 -3.491 10.202 1.00 0.00 C ATOM 0 H LEU A 57 -2.648 -1.809 7.218 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.081 -2.609 8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.314 -4.361 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.029 -4.839 8.021 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.145 -2.796 8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.226 -4.603 10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.210 -4.948 8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.057 -5.768 9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.420 -3.276 11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.180 -4.389 10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.084 -2.650 10.048 1.00 0.00 H new ATOM 851 N HIS A 58 -0.880 -3.561 4.929 1.00 0.00 N ATOM 852 CA HIS A 58 -0.314 -3.961 3.646 1.00 0.00 C ATOM 853 C HIS A 58 0.851 -3.055 3.260 1.00 0.00 C ATOM 854 O HIS A 58 1.895 -3.527 2.810 1.00 0.00 O ATOM 855 CB HIS A 58 -1.387 -3.922 2.557 1.00 0.00 C ATOM 856 CG HIS A 58 -1.027 -4.707 1.333 1.00 0.00 C ATOM 857 ND1 HIS A 58 -1.321 -4.498 0.029 1.00 0.00 N flip ATOM 858 CD2 HIS A 58 -0.277 -5.863 1.374 1.00 0.00 C flip ATOM 859 CE1 HIS A 58 -0.748 -5.519 -0.687 1.00 0.00 C flip ATOM 860 NE2 HIS A 58 -0.123 -6.330 0.148 1.00 0.00 N flip ATOM 0 H HIS A 58 -1.899 -3.537 4.951 1.00 0.00 H new ATOM 0 HA HIS A 58 0.058 -4.981 3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.321 -4.308 2.965 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.568 -2.885 2.274 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -1.867 -3.725 -0.351 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.122 -6.316 2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.800 -5.640 -1.759 1.00 0.00 H new ATOM 869 N PHE A 59 0.665 -1.751 3.438 1.00 0.00 N ATOM 870 CA PHE A 59 1.700 -0.778 3.107 1.00 0.00 C ATOM 871 C PHE A 59 3.020 -1.138 3.782 1.00 0.00 C ATOM 872 O PHE A 59 4.087 -1.049 3.172 1.00 0.00 O ATOM 873 CB PHE A 59 1.264 0.626 3.531 1.00 0.00 C ATOM 874 CG PHE A 59 2.291 1.684 3.244 1.00 0.00 C ATOM 875 CD1 PHE A 59 2.673 1.962 1.941 1.00 0.00 C ATOM 876 CD2 PHE A 59 2.874 2.400 4.277 1.00 0.00 C ATOM 877 CE1 PHE A 59 3.617 2.936 1.674 1.00 0.00 C ATOM 878 CE2 PHE A 59 3.818 3.375 4.015 1.00 0.00 C ATOM 879 CZ PHE A 59 4.191 3.642 2.712 1.00 0.00 C ATOM 0 H PHE A 59 -0.193 -1.344 3.810 1.00 0.00 H new ATOM 0 HA PHE A 59 1.848 -0.795 2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.337 0.881 3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.045 0.623 4.599 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.228 1.412 1.125 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.588 2.194 5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.905 3.144 0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.264 3.928 4.829 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.930 4.402 2.506 1.00 0.00 H new ATOM 889 N LEU A 60 2.941 -1.545 5.044 1.00 0.00 N ATOM 890 CA LEU A 60 4.130 -1.919 5.803 1.00 0.00 C ATOM 891 C LEU A 60 4.451 -3.399 5.618 1.00 0.00 C ATOM 892 O LEU A 60 4.886 -4.071 6.553 1.00 0.00 O ATOM 893 CB LEU A 60 3.928 -1.611 7.288 1.00 0.00 C ATOM 894 CG LEU A 60 3.401 -0.214 7.618 1.00 0.00 C ATOM 895 CD1 LEU A 60 2.586 -0.241 8.902 1.00 0.00 C ATOM 896 CD2 LEU A 60 4.551 0.776 7.734 1.00 0.00 C ATOM 0 H LEU A 60 2.067 -1.625 5.563 1.00 0.00 H new ATOM 0 HA LEU A 60 4.970 -1.334 5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.236 -2.345 7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.880 -1.749 7.800 1.00 0.00 H new ATOM 0 HG LEU A 60 2.750 0.110 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.219 0.762 9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.741 -0.919 8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.213 -0.585 9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.157 1.765 7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.227 0.457 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.093 0.816 6.789 1.00 0.00 H new ATOM 908 N ARG A 61 4.236 -3.899 4.405 1.00 0.00 N ATOM 909 CA ARG A 61 4.504 -5.298 4.098 1.00 0.00 C ATOM 910 C ARG A 61 5.375 -5.424 2.851 1.00 0.00 C ATOM 911 O ARG A 61 6.352 -6.174 2.837 1.00 0.00 O ATOM 912 CB ARG A 61 3.191 -6.058 3.894 1.00 0.00 C ATOM 913 CG ARG A 61 2.304 -6.081 5.127 1.00 0.00 C ATOM 914 CD ARG A 61 2.747 -7.152 6.112 1.00 0.00 C ATOM 915 NE ARG A 61 3.962 -6.769 6.826 1.00 0.00 N ATOM 916 CZ ARG A 61 4.629 -7.587 7.633 1.00 0.00 C ATOM 917 NH1 ARG A 61 4.200 -8.826 7.829 1.00 0.00 N ATOM 918 NH2 ARG A 61 5.727 -7.165 8.248 1.00 0.00 N ATOM 0 H ARG A 61 3.877 -3.356 3.620 1.00 0.00 H new ATOM 0 HA ARG A 61 5.041 -5.732 4.941 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.642 -5.603 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.416 -7.083 3.599 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.329 -5.106 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.271 -6.263 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.948 -7.337 6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.919 -8.087 5.578 1.00 0.00 H new ATOM 0 HE ARG A 61 4.318 -5.822 6.698 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.356 -9.154 7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.714 -9.452 8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.059 -6.212 8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.238 -7.794 8.867 1.00 0.00 H new ATOM 932 N LEU A 62 5.015 -4.685 1.807 1.00 0.00 N ATOM 933 CA LEU A 62 5.763 -4.714 0.555 1.00 0.00 C ATOM 934 C LEU A 62 7.261 -4.835 0.819 1.00 0.00 C ATOM 935 O LEU A 62 7.770 -4.409 1.856 1.00 0.00 O ATOM 936 CB LEU A 62 5.478 -3.452 -0.261 1.00 0.00 C ATOM 937 CG LEU A 62 4.009 -3.186 -0.594 1.00 0.00 C ATOM 938 CD1 LEU A 62 3.837 -1.790 -1.170 1.00 0.00 C ATOM 939 CD2 LEU A 62 3.484 -4.234 -1.564 1.00 0.00 C ATOM 0 H LEU A 62 4.210 -4.059 1.803 1.00 0.00 H new ATOM 0 HA LEU A 62 5.441 -5.587 -0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.867 -2.594 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.036 -3.514 -1.195 1.00 0.00 H new ATOM 0 HG LEU A 62 3.430 -3.250 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.786 -1.619 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.174 -1.052 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.428 -1.697 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.437 -4.029 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.067 -4.202 -2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.571 -5.223 -1.114 1.00 0.00 H new ATOM 951 N PRO A 63 7.985 -5.426 -0.142 1.00 0.00 N ATOM 952 CA PRO A 63 9.435 -5.614 -0.038 1.00 0.00 C ATOM 953 C PRO A 63 10.199 -4.298 -0.137 1.00 0.00 C ATOM 954 O PRO A 63 9.599 -3.230 -0.264 1.00 0.00 O ATOM 955 CB PRO A 63 9.763 -6.513 -1.233 1.00 0.00 C ATOM 956 CG PRO A 63 8.677 -6.247 -2.217 1.00 0.00 C ATOM 957 CD PRO A 63 7.445 -5.957 -1.405 1.00 0.00 C ATOM 0 HA PRO A 63 9.723 -6.038 0.924 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.742 -6.276 -1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.786 -7.564 -0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.930 -5.403 -2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.522 -7.107 -2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.798 -5.233 -1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.851 -6.856 -1.241 1.00 0.00 H new ATOM 965 N ILE A 64 11.524 -4.382 -0.078 1.00 0.00 N ATOM 966 CA ILE A 64 12.368 -3.197 -0.162 1.00 0.00 C ATOM 967 C ILE A 64 12.544 -2.749 -1.609 1.00 0.00 C ATOM 968 O ILE A 64 12.531 -3.567 -2.528 1.00 0.00 O ATOM 969 CB ILE A 64 13.756 -3.449 0.457 1.00 0.00 C ATOM 970 CG1 ILE A 64 14.537 -4.462 -0.383 1.00 0.00 C ATOM 971 CG2 ILE A 64 13.615 -3.939 1.891 1.00 0.00 C ATOM 972 CD1 ILE A 64 15.372 -3.827 -1.473 1.00 0.00 C ATOM 0 H ILE A 64 12.036 -5.258 0.028 1.00 0.00 H new ATOM 0 HA ILE A 64 11.865 -2.411 0.401 1.00 0.00 H new ATOM 0 HB ILE A 64 14.309 -2.510 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.188 -5.040 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.836 -5.164 -0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.604 -4.113 2.315 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.093 -3.187 2.483 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.046 -4.869 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 64 15.898 -4.604 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 64 14.724 -3.272 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 64 16.097 -3.147 -1.026 1.00 0.00 H new ATOM 984 N GLU A 65 12.709 -1.444 -1.803 1.00 0.00 N ATOM 985 CA GLU A 65 12.888 -0.887 -3.138 1.00 0.00 C ATOM 986 C GLU A 65 14.289 -1.180 -3.667 1.00 0.00 C ATOM 987 O GLU A 65 15.277 -1.053 -2.942 1.00 0.00 O ATOM 988 CB GLU A 65 12.643 0.623 -3.123 1.00 0.00 C ATOM 989 CG GLU A 65 13.648 1.394 -2.285 1.00 0.00 C ATOM 990 CD GLU A 65 13.147 2.771 -1.894 1.00 0.00 C ATOM 991 OE1 GLU A 65 12.688 3.511 -2.789 1.00 0.00 O ATOM 992 OE2 GLU A 65 13.214 3.109 -0.693 1.00 0.00 O ATOM 0 H GLU A 65 12.722 -0.753 -1.052 1.00 0.00 H new ATOM 0 HA GLU A 65 12.162 -1.359 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.672 0.998 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.640 0.816 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.876 0.825 -1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.579 1.495 -2.843 1.00 0.00 H new ATOM 999 N ASP A 66 14.368 -1.574 -4.933 1.00 0.00 N ATOM 1000 CA ASP A 66 15.647 -1.885 -5.559 1.00 0.00 C ATOM 1001 C ASP A 66 15.881 -1.006 -6.784 1.00 0.00 C ATOM 1002 O ASP A 66 14.952 -0.650 -7.509 1.00 0.00 O ATOM 1003 CB ASP A 66 15.699 -3.360 -5.958 1.00 0.00 C ATOM 1004 CG ASP A 66 15.093 -3.612 -7.325 1.00 0.00 C ATOM 1005 OD1 ASP A 66 13.850 -3.566 -7.442 1.00 0.00 O ATOM 1006 OD2 ASP A 66 15.862 -3.854 -8.279 1.00 0.00 O ATOM 0 H ASP A 66 13.561 -1.686 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 66 16.436 -1.685 -4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 66 16.735 -3.698 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.168 -3.954 -5.214 1.00 0.00 H new ATOM 1011 N PRO A 67 17.151 -0.645 -7.021 1.00 0.00 N ATOM 1012 CA PRO A 67 17.536 0.197 -8.157 1.00 0.00 C ATOM 1013 C PRO A 67 17.390 -0.526 -9.491 1.00 0.00 C ATOM 1014 O PRO A 67 16.851 0.025 -10.451 1.00 0.00 O ATOM 1015 CB PRO A 67 19.008 0.515 -7.880 1.00 0.00 C ATOM 1016 CG PRO A 67 19.486 -0.614 -7.034 1.00 0.00 C ATOM 1017 CD PRO A 67 18.309 -1.033 -6.198 1.00 0.00 C ATOM 0 HA PRO A 67 16.903 1.080 -8.242 1.00 0.00 H new ATOM 0 HB2 PRO A 67 19.579 0.585 -8.806 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.117 1.469 -7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 67 19.841 -1.440 -7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 67 20.321 -0.304 -6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 67 18.319 -2.104 -5.998 1.00 0.00 H new ATOM 0 HD3 PRO A 67 18.302 -0.529 -5.232 1.00 0.00 H new ATOM 1025 N TYR A 68 17.872 -1.763 -9.544 1.00 0.00 N ATOM 1026 CA TYR A 68 17.796 -2.561 -10.762 1.00 0.00 C ATOM 1027 C TYR A 68 17.753 -4.051 -10.435 1.00 0.00 C ATOM 1028 O TYR A 68 18.745 -4.630 -9.991 1.00 0.00 O ATOM 1029 CB TYR A 68 18.990 -2.261 -11.669 1.00 0.00 C ATOM 1030 CG TYR A 68 20.320 -2.664 -11.072 1.00 0.00 C ATOM 1031 CD1 TYR A 68 20.880 -1.945 -10.024 1.00 0.00 C ATOM 1032 CD2 TYR A 68 21.015 -3.765 -11.557 1.00 0.00 C ATOM 1033 CE1 TYR A 68 22.095 -2.309 -9.477 1.00 0.00 C ATOM 1034 CE2 TYR A 68 22.230 -4.138 -11.014 1.00 0.00 C ATOM 1035 CZ TYR A 68 22.766 -3.407 -9.975 1.00 0.00 C ATOM 1036 OH TYR A 68 23.976 -3.774 -9.432 1.00 0.00 O ATOM 0 H TYR A 68 18.319 -2.235 -8.758 1.00 0.00 H new ATOM 0 HA TYR A 68 16.877 -2.295 -11.283 1.00 0.00 H new ATOM 0 HB2 TYR A 68 18.855 -2.781 -12.618 1.00 0.00 H new ATOM 0 HB3 TYR A 68 19.009 -1.194 -11.890 1.00 0.00 H new ATOM 0 HD1 TYR A 68 20.356 -1.086 -9.630 1.00 0.00 H new ATOM 0 HD2 TYR A 68 20.599 -4.339 -12.372 1.00 0.00 H new ATOM 0 HE1 TYR A 68 22.517 -1.737 -8.664 1.00 0.00 H new ATOM 0 HE2 TYR A 68 22.757 -4.998 -11.401 1.00 0.00 H new ATOM 0 HH TYR A 68 24.315 -4.568 -9.896 1.00 0.00 H new ATOM 1046 N LEU A 69 16.597 -4.666 -10.659 1.00 0.00 N ATOM 1047 CA LEU A 69 16.423 -6.089 -10.390 1.00 0.00 C ATOM 1048 C LEU A 69 15.151 -6.615 -11.047 1.00 0.00 C ATOM 1049 O LEU A 69 14.054 -6.125 -10.780 1.00 0.00 O ATOM 1050 CB LEU A 69 16.373 -6.340 -8.882 1.00 0.00 C ATOM 1051 CG LEU A 69 16.680 -7.768 -8.429 1.00 0.00 C ATOM 1052 CD1 LEU A 69 17.200 -7.775 -7.000 1.00 0.00 C ATOM 1053 CD2 LEU A 69 15.442 -8.644 -8.552 1.00 0.00 C ATOM 0 H LEU A 69 15.766 -4.202 -11.026 1.00 0.00 H new ATOM 0 HA LEU A 69 17.275 -6.621 -10.813 1.00 0.00 H new ATOM 0 HB2 LEU A 69 17.080 -5.667 -8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.380 -6.071 -8.522 1.00 0.00 H new ATOM 0 HG LEU A 69 17.455 -8.176 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 69 17.413 -8.800 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.113 -7.182 -6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 69 16.448 -7.348 -6.337 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.679 -9.657 -8.225 1.00 0.00 H new ATOM 0 HD22 LEU A 69 14.646 -8.238 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 69 15.113 -8.665 -9.591 1.00 0.00 H new ATOM 1065 N GLU A 70 15.306 -7.619 -11.905 1.00 0.00 N ATOM 1066 CA GLU A 70 14.169 -8.212 -12.599 1.00 0.00 C ATOM 1067 C GLU A 70 13.187 -8.827 -11.606 1.00 0.00 C ATOM 1068 O GLU A 70 13.504 -9.802 -10.926 1.00 0.00 O ATOM 1069 CB GLU A 70 14.646 -9.278 -13.587 1.00 0.00 C ATOM 1070 CG GLU A 70 15.383 -8.709 -14.788 1.00 0.00 C ATOM 1071 CD GLU A 70 16.806 -8.301 -14.459 1.00 0.00 C ATOM 1072 OE1 GLU A 70 17.623 -9.192 -14.147 1.00 0.00 O ATOM 1073 OE2 GLU A 70 17.103 -7.089 -14.514 1.00 0.00 O ATOM 0 H GLU A 70 16.207 -8.038 -12.136 1.00 0.00 H new ATOM 0 HA GLU A 70 13.658 -7.421 -13.148 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.301 -9.976 -13.067 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.785 -9.849 -13.936 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.397 -9.451 -15.586 1.00 0.00 H new ATOM 0 HG3 GLU A 70 14.839 -7.844 -15.167 1.00 0.00 H new ATOM 1080 N ASN A 71 11.992 -8.249 -11.529 1.00 0.00 N ATOM 1081 CA ASN A 71 10.963 -8.739 -10.619 1.00 0.00 C ATOM 1082 C ASN A 71 10.171 -9.877 -11.256 1.00 0.00 C ATOM 1083 O ASN A 71 10.273 -10.121 -12.458 1.00 0.00 O ATOM 1084 CB ASN A 71 10.018 -7.602 -10.226 1.00 0.00 C ATOM 1085 CG ASN A 71 9.192 -7.105 -11.397 1.00 0.00 C ATOM 1086 OD1 ASN A 71 9.671 -7.054 -12.530 1.00 0.00 O ATOM 1087 ND2 ASN A 71 7.946 -6.736 -11.128 1.00 0.00 N ATOM 0 H ASN A 71 11.713 -7.441 -12.086 1.00 0.00 H new ATOM 0 HA ASN A 71 11.455 -9.119 -9.724 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.352 -7.944 -9.434 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.599 -6.775 -9.818 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.343 -6.393 -11.876 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.591 -6.795 -10.174 1.00 0.00 H new ATOM 1094 N SER A 72 9.382 -10.569 -10.441 1.00 0.00 N ATOM 1095 CA SER A 72 8.574 -11.683 -10.923 1.00 0.00 C ATOM 1096 C SER A 72 7.717 -11.259 -12.111 1.00 0.00 C ATOM 1097 O SER A 72 7.664 -10.080 -12.463 1.00 0.00 O ATOM 1098 CB SER A 72 7.682 -12.217 -9.801 1.00 0.00 C ATOM 1099 OG SER A 72 8.438 -12.949 -8.852 1.00 0.00 O ATOM 0 H SER A 72 9.285 -10.378 -9.444 1.00 0.00 H new ATOM 0 HA SER A 72 9.249 -12.474 -11.249 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.178 -11.386 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.906 -12.855 -10.222 1.00 0.00 H new ATOM 0 HG SER A 72 7.845 -13.278 -8.145 1.00 0.00 H new ATOM 1105 N ASP A 73 7.048 -12.228 -12.726 1.00 0.00 N ATOM 1106 CA ASP A 73 6.191 -11.956 -13.875 1.00 0.00 C ATOM 1107 C ASP A 73 4.720 -12.110 -13.504 1.00 0.00 C ATOM 1108 O ASP A 73 4.366 -12.920 -12.648 1.00 0.00 O ATOM 1109 CB ASP A 73 6.540 -12.895 -15.031 1.00 0.00 C ATOM 1110 CG ASP A 73 5.768 -14.199 -14.971 1.00 0.00 C ATOM 1111 OD1 ASP A 73 6.107 -15.049 -14.121 1.00 0.00 O ATOM 1112 OD2 ASP A 73 4.827 -14.369 -15.774 1.00 0.00 O ATOM 0 H ASP A 73 7.082 -13.209 -12.448 1.00 0.00 H new ATOM 0 HA ASP A 73 6.361 -10.926 -14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.331 -12.395 -15.977 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.609 -13.108 -15.012 1.00 0.00 H new ATOM 1117 N SER A 74 3.866 -11.326 -14.154 1.00 0.00 N ATOM 1118 CA SER A 74 2.433 -11.371 -13.890 1.00 0.00 C ATOM 1119 C SER A 74 1.918 -12.807 -13.929 1.00 0.00 C ATOM 1120 O SER A 74 1.147 -13.226 -13.067 1.00 0.00 O ATOM 1121 CB SER A 74 1.677 -10.518 -14.911 1.00 0.00 C ATOM 1122 OG SER A 74 2.016 -10.890 -16.236 1.00 0.00 O ATOM 0 H SER A 74 4.142 -10.652 -14.868 1.00 0.00 H new ATOM 0 HA SER A 74 2.260 -10.968 -12.892 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.603 -10.632 -14.761 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.911 -9.465 -14.754 1.00 0.00 H new ATOM 0 HG SER A 74 1.519 -10.332 -16.870 1.00 0.00 H new ATOM 1128 N GLY A 75 2.352 -13.557 -14.937 1.00 0.00 N ATOM 1129 CA GLY A 75 1.926 -14.938 -15.071 1.00 0.00 C ATOM 1130 C GLY A 75 0.513 -15.059 -15.607 1.00 0.00 C ATOM 1131 O GLY A 75 -0.056 -14.105 -16.137 1.00 0.00 O ATOM 0 H GLY A 75 2.991 -13.233 -15.663 1.00 0.00 H new ATOM 0 HA2 GLY A 75 2.610 -15.463 -15.737 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.986 -15.430 -14.100 1.00 0.00 H new ATOM 1135 N PRO A 76 -0.074 -16.258 -15.473 1.00 0.00 N ATOM 1136 CA PRO A 76 -1.435 -16.529 -15.944 1.00 0.00 C ATOM 1137 C PRO A 76 -2.491 -15.809 -15.110 1.00 0.00 C ATOM 1138 O PRO A 76 -2.164 -15.009 -14.234 1.00 0.00 O ATOM 1139 CB PRO A 76 -1.570 -18.045 -15.783 1.00 0.00 C ATOM 1140 CG PRO A 76 -0.602 -18.400 -14.709 1.00 0.00 C ATOM 1141 CD PRO A 76 0.546 -17.440 -14.852 1.00 0.00 C ATOM 0 HA PRO A 76 -1.591 -16.179 -16.964 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.587 -18.325 -15.508 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -1.337 -18.564 -16.713 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.062 -18.314 -13.725 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.264 -19.431 -14.814 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.992 -17.200 -13.887 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.339 -17.852 -15.476 1.00 0.00 H new ATOM 1149 N SER A 77 -3.757 -16.100 -15.389 1.00 0.00 N ATOM 1150 CA SER A 77 -4.861 -15.478 -14.667 1.00 0.00 C ATOM 1151 C SER A 77 -5.267 -16.322 -13.463 1.00 0.00 C ATOM 1152 O SER A 77 -6.118 -17.204 -13.568 1.00 0.00 O ATOM 1153 CB SER A 77 -6.061 -15.284 -15.596 1.00 0.00 C ATOM 1154 OG SER A 77 -7.055 -14.479 -14.985 1.00 0.00 O ATOM 0 H SER A 77 -4.044 -16.762 -16.110 1.00 0.00 H new ATOM 0 HA SER A 77 -4.526 -14.504 -14.310 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.733 -14.819 -16.526 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.484 -16.254 -15.856 1.00 0.00 H new ATOM 0 HG SER A 77 -7.810 -14.369 -15.600 1.00 0.00 H new ATOM 1160 N SER A 78 -4.650 -16.043 -12.319 1.00 0.00 N ATOM 1161 CA SER A 78 -4.943 -16.779 -11.094 1.00 0.00 C ATOM 1162 C SER A 78 -6.425 -16.684 -10.745 1.00 0.00 C ATOM 1163 O SER A 78 -6.968 -15.592 -10.586 1.00 0.00 O ATOM 1164 CB SER A 78 -4.099 -16.240 -9.936 1.00 0.00 C ATOM 1165 OG SER A 78 -4.464 -14.909 -9.616 1.00 0.00 O ATOM 0 H SER A 78 -3.945 -15.313 -12.215 1.00 0.00 H new ATOM 0 HA SER A 78 -4.693 -17.827 -11.260 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.228 -16.876 -9.061 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.043 -16.277 -10.204 1.00 0.00 H new ATOM 0 HG SER A 78 -5.384 -14.742 -9.910 1.00 0.00 H new ATOM 1171 N GLY A 79 -7.074 -17.839 -10.627 1.00 0.00 N ATOM 1172 CA GLY A 79 -8.487 -17.866 -10.298 1.00 0.00 C ATOM 1173 C GLY A 79 -8.733 -17.978 -8.807 1.00 0.00 C ATOM 1174 O GLY A 79 -7.953 -17.470 -8.002 1.00 0.00 O ATOM 0 H GLY A 79 -6.646 -18.756 -10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.962 -16.960 -10.674 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.959 -18.707 -10.805 1.00 0.00 H new TER 1178 GLY A 79