USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=23 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 16 SER OG : rot 164:sc= 1.5 USER MOD Set 1.2: A 77 SER OG : rot 66:sc= 1.35 USER MOD Set 2.1: A 44 SER OG : rot -66:sc= 1.27 USER MOD Set 2.2: A 52 GLN : amide:sc= -1.61! C(o=-0.34!,f=-3.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 160:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -156:sc= -0.126 (180deg=-0.855) USER MOD Single : A 22 THR OG1 : rot -92:sc= 0.0685 USER MOD Single : A 24 GLN : amide:sc= -0.0781 X(o=-0.078,f=0) USER MOD Single : A 26 THR OG1 : rot 88:sc= 1.25 USER MOD Single : A 35 MET CE :methyl -173:sc= 0 (180deg=-0.071) 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 41 ASN : amide:sc= -0.0346 X(o=-0.035,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HE2:sc= -3.94! C(o=-3.9!,f=-4.6!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.979 USER MOD Single : A 55 CYS SG : rot 129:sc= -5.9! USER MOD Single : A 58 HIS :FLIP no HD1:sc= -1.81 F(o=-5.8!,f=-1.8) USER MOD Single : A 68 TYR OH : rot 71:sc= 0.109 USER MOD Single : A 71 ASN : amide:sc= -0.721 K(o=-0.72,f=-6.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0367 USER MOD Single : A 78 SER OG : rot 42:sc= 0.274 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.626 16.704 16.156 1.00 0.00 N ATOM 2 CA GLY A 1 4.338 16.734 14.892 1.00 0.00 C ATOM 3 C GLY A 1 4.776 15.354 14.440 1.00 0.00 C ATOM 4 O GLY A 1 3.982 14.413 14.439 1.00 0.00 O ATOM 0 H1 GLY A 1 3.348 17.671 16.421 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.775 16.113 16.061 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.243 16.307 16.893 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.698 17.177 14.129 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.213 17.377 14.987 1.00 0.00 H new ATOM 8 N SER A 2 6.041 15.234 14.053 1.00 0.00 N ATOM 9 CA SER A 2 6.582 13.960 13.591 1.00 0.00 C ATOM 10 C SER A 2 5.725 13.381 12.470 1.00 0.00 C ATOM 11 O SER A 2 5.452 12.181 12.438 1.00 0.00 O ATOM 12 CB SER A 2 6.663 12.966 14.751 1.00 0.00 C ATOM 13 OG SER A 2 7.684 13.330 15.664 1.00 0.00 O ATOM 0 H SER A 2 6.711 16.003 14.050 1.00 0.00 H new ATOM 0 HA SER A 2 7.585 14.138 13.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.705 12.928 15.269 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.857 11.966 14.364 1.00 0.00 H new ATOM 0 HG SER A 2 7.714 12.680 16.397 1.00 0.00 H new ATOM 19 N SER A 3 5.303 14.244 11.550 1.00 0.00 N ATOM 20 CA SER A 3 4.473 13.820 10.428 1.00 0.00 C ATOM 21 C SER A 3 5.317 13.139 9.355 1.00 0.00 C ATOM 22 O SER A 3 6.532 13.325 9.294 1.00 0.00 O ATOM 23 CB SER A 3 3.738 15.020 9.829 1.00 0.00 C ATOM 24 OG SER A 3 2.606 15.366 10.608 1.00 0.00 O ATOM 0 H SER A 3 5.522 15.240 11.560 1.00 0.00 H new ATOM 0 HA SER A 3 3.741 13.103 10.800 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.415 15.872 9.768 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.425 14.788 8.811 1.00 0.00 H new ATOM 0 HG SER A 3 2.155 16.137 10.205 1.00 0.00 H new ATOM 30 N GLY A 4 4.663 12.348 8.510 1.00 0.00 N ATOM 31 CA GLY A 4 5.368 11.650 7.451 1.00 0.00 C ATOM 32 C GLY A 4 5.075 12.228 6.081 1.00 0.00 C ATOM 33 O GLY A 4 4.733 11.497 5.151 1.00 0.00 O ATOM 0 H GLY A 4 3.658 12.178 8.540 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.440 11.697 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.088 10.597 7.465 1.00 0.00 H new ATOM 37 N SER A 5 5.207 13.545 5.955 1.00 0.00 N ATOM 38 CA SER A 5 4.948 14.222 4.690 1.00 0.00 C ATOM 39 C SER A 5 5.629 13.493 3.535 1.00 0.00 C ATOM 40 O SER A 5 5.016 13.242 2.497 1.00 0.00 O ATOM 41 CB SER A 5 5.437 15.670 4.753 1.00 0.00 C ATOM 42 OG SER A 5 4.815 16.372 5.815 1.00 0.00 O ATOM 0 H SER A 5 5.492 14.164 6.714 1.00 0.00 H new ATOM 0 HA SER A 5 3.872 14.217 4.517 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.519 15.686 4.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.225 16.170 3.808 1.00 0.00 H new ATOM 0 HG SER A 5 5.145 17.294 5.835 1.00 0.00 H new ATOM 48 N SER A 6 6.901 13.158 3.723 1.00 0.00 N ATOM 49 CA SER A 6 7.668 12.462 2.697 1.00 0.00 C ATOM 50 C SER A 6 6.868 11.300 2.115 1.00 0.00 C ATOM 51 O SER A 6 6.232 10.542 2.846 1.00 0.00 O ATOM 52 CB SER A 6 8.988 11.947 3.277 1.00 0.00 C ATOM 53 OG SER A 6 9.909 11.634 2.247 1.00 0.00 O ATOM 0 H SER A 6 7.422 13.357 4.577 1.00 0.00 H new ATOM 0 HA SER A 6 7.883 13.170 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.418 12.701 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.801 11.061 3.884 1.00 0.00 H new ATOM 0 HG SER A 6 10.744 11.309 2.643 1.00 0.00 H new ATOM 59 N GLY A 7 6.907 11.166 0.793 1.00 0.00 N ATOM 60 CA GLY A 7 6.182 10.096 0.134 1.00 0.00 C ATOM 61 C GLY A 7 6.642 9.877 -1.294 1.00 0.00 C ATOM 62 O GLY A 7 6.874 10.834 -2.034 1.00 0.00 O ATOM 0 H GLY A 7 7.428 11.780 0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.310 9.173 0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.117 10.327 0.138 1.00 0.00 H new ATOM 66 N THR A 8 6.777 8.613 -1.684 1.00 0.00 N ATOM 67 CA THR A 8 7.215 8.271 -3.031 1.00 0.00 C ATOM 68 C THR A 8 6.712 6.891 -3.439 1.00 0.00 C ATOM 69 O THR A 8 6.882 5.916 -2.707 1.00 0.00 O ATOM 70 CB THR A 8 8.751 8.300 -3.146 1.00 0.00 C ATOM 71 OG1 THR A 8 9.251 9.571 -2.715 1.00 0.00 O ATOM 72 CG2 THR A 8 9.191 8.035 -4.578 1.00 0.00 C ATOM 0 H THR A 8 6.589 7.809 -1.085 1.00 0.00 H new ATOM 0 HA THR A 8 6.793 9.021 -3.701 1.00 0.00 H new ATOM 0 HB THR A 8 9.156 7.515 -2.507 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.228 9.581 -2.790 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.279 8.060 -4.635 1.00 0.00 H new ATOM 0 HG22 THR A 8 8.834 7.054 -4.893 1.00 0.00 H new ATOM 0 HG23 THR A 8 8.775 8.800 -5.234 1.00 0.00 H new ATOM 80 N LEU A 9 6.093 6.816 -4.612 1.00 0.00 N ATOM 81 CA LEU A 9 5.566 5.554 -5.119 1.00 0.00 C ATOM 82 C LEU A 9 6.607 4.445 -5.009 1.00 0.00 C ATOM 83 O LEU A 9 7.792 4.665 -5.260 1.00 0.00 O ATOM 84 CB LEU A 9 5.123 5.711 -6.575 1.00 0.00 C ATOM 85 CG LEU A 9 4.615 4.444 -7.263 1.00 0.00 C ATOM 86 CD1 LEU A 9 3.579 4.789 -8.321 1.00 0.00 C ATOM 87 CD2 LEU A 9 5.772 3.670 -7.878 1.00 0.00 C ATOM 0 H LEU A 9 5.944 7.614 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 9 4.704 5.279 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.335 6.463 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.964 6.100 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 9 4.140 3.812 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.229 3.874 -8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.737 5.299 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.027 5.442 -9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.391 2.771 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.277 4.295 -8.615 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.478 3.389 -7.097 1.00 0.00 H new ATOM 99 N ALA A 10 6.157 3.252 -4.634 1.00 0.00 N ATOM 100 CA ALA A 10 7.049 2.108 -4.495 1.00 0.00 C ATOM 101 C ALA A 10 6.666 0.993 -5.463 1.00 0.00 C ATOM 102 O ALA A 10 5.620 0.360 -5.315 1.00 0.00 O ATOM 103 CB ALA A 10 7.031 1.595 -3.063 1.00 0.00 C ATOM 0 H ALA A 10 5.180 3.053 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 10 8.060 2.435 -4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.702 0.740 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.360 2.386 -2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.018 1.290 -2.798 1.00 0.00 H new ATOM 109 N LYS A 11 7.519 0.757 -6.454 1.00 0.00 N ATOM 110 CA LYS A 11 7.271 -0.282 -7.446 1.00 0.00 C ATOM 111 C LYS A 11 7.483 -1.669 -6.846 1.00 0.00 C ATOM 112 O LYS A 11 8.614 -2.071 -6.572 1.00 0.00 O ATOM 113 CB LYS A 11 8.191 -0.092 -8.654 1.00 0.00 C ATOM 114 CG LYS A 11 7.900 1.170 -9.447 1.00 0.00 C ATOM 115 CD LYS A 11 9.136 1.668 -10.177 1.00 0.00 C ATOM 116 CE LYS A 11 9.333 0.942 -11.499 1.00 0.00 C ATOM 117 NZ LYS A 11 8.474 1.507 -12.576 1.00 0.00 N ATOM 0 H LYS A 11 8.389 1.272 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 11 6.234 -0.200 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.226 -0.066 -8.312 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.095 -0.955 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.106 0.973 -10.167 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.536 1.947 -8.775 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.046 2.739 -10.359 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.014 1.524 -9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.379 1.008 -11.797 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.105 -0.116 -11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.638 0.985 -13.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.474 1.421 -12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.709 2.510 -12.717 1.00 0.00 H new ATOM 131 N SER A 12 6.388 -2.396 -6.646 1.00 0.00 N ATOM 132 CA SER A 12 6.454 -3.737 -6.077 1.00 0.00 C ATOM 133 C SER A 12 6.337 -4.796 -7.169 1.00 0.00 C ATOM 134 O SER A 12 5.315 -4.894 -7.848 1.00 0.00 O ATOM 135 CB SER A 12 5.344 -3.929 -5.042 1.00 0.00 C ATOM 136 OG SER A 12 5.626 -3.212 -3.853 1.00 0.00 O ATOM 0 H SER A 12 5.445 -2.079 -6.870 1.00 0.00 H new ATOM 0 HA SER A 12 7.421 -3.851 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.394 -3.593 -5.457 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.235 -4.989 -4.814 1.00 0.00 H new ATOM 0 HG SER A 12 4.797 -3.079 -3.347 1.00 0.00 H new ATOM 142 N LYS A 13 7.391 -5.588 -7.331 1.00 0.00 N ATOM 143 CA LYS A 13 7.409 -6.643 -8.338 1.00 0.00 C ATOM 144 C LYS A 13 7.780 -7.984 -7.714 1.00 0.00 C ATOM 145 O LYS A 13 8.728 -8.076 -6.934 1.00 0.00 O ATOM 146 CB LYS A 13 8.398 -6.295 -9.452 1.00 0.00 C ATOM 147 CG LYS A 13 7.805 -5.417 -10.540 1.00 0.00 C ATOM 148 CD LYS A 13 7.976 -3.941 -10.221 1.00 0.00 C ATOM 149 CE LYS A 13 9.290 -3.402 -10.765 1.00 0.00 C ATOM 150 NZ LYS A 13 10.408 -3.584 -9.798 1.00 0.00 N ATOM 0 H LYS A 13 8.245 -5.519 -6.777 1.00 0.00 H new ATOM 0 HA LYS A 13 6.408 -6.724 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.259 -5.788 -9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.765 -7.218 -9.901 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.285 -5.642 -11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.745 -5.645 -10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.146 -3.377 -10.647 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.940 -3.794 -9.141 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.532 -3.909 -11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.180 -2.343 -10.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.152 -2.884 -9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.054 -3.453 -8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.800 -4.542 -9.897 1.00 0.00 H new ATOM 164 N GLY A 14 7.029 -9.023 -8.065 1.00 0.00 N ATOM 165 CA GLY A 14 7.296 -10.346 -7.531 1.00 0.00 C ATOM 166 C GLY A 14 6.037 -11.045 -7.057 1.00 0.00 C ATOM 167 O GLY A 14 5.616 -12.043 -7.642 1.00 0.00 O ATOM 0 H GLY A 14 6.240 -8.972 -8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.778 -10.953 -8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.997 -10.264 -6.700 1.00 0.00 H new ATOM 171 N ALA A 15 5.437 -10.523 -5.993 1.00 0.00 N ATOM 172 CA ALA A 15 4.219 -11.103 -5.441 1.00 0.00 C ATOM 173 C ALA A 15 4.474 -12.508 -4.906 1.00 0.00 C ATOM 174 O ALA A 15 3.675 -13.419 -5.121 1.00 0.00 O ATOM 175 CB ALA A 15 3.122 -11.129 -6.495 1.00 0.00 C ATOM 0 H ALA A 15 5.775 -9.699 -5.496 1.00 0.00 H new ATOM 0 HA ALA A 15 3.894 -10.479 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.218 -11.565 -6.069 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.913 -10.112 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.448 -11.729 -7.345 1.00 0.00 H new ATOM 181 N SER A 16 5.592 -12.676 -4.208 1.00 0.00 N ATOM 182 CA SER A 16 5.955 -13.972 -3.645 1.00 0.00 C ATOM 183 C SER A 16 4.729 -14.678 -3.074 1.00 0.00 C ATOM 184 O SER A 16 4.037 -14.142 -2.210 1.00 0.00 O ATOM 185 CB SER A 16 7.013 -13.800 -2.554 1.00 0.00 C ATOM 186 OG SER A 16 7.442 -15.055 -2.056 1.00 0.00 O ATOM 0 H SER A 16 6.263 -11.931 -4.018 1.00 0.00 H new ATOM 0 HA SER A 16 6.367 -14.586 -4.446 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.867 -13.253 -2.954 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.605 -13.202 -1.739 1.00 0.00 H new ATOM 0 HG SER A 16 8.279 -14.941 -1.559 1.00 0.00 H new ATOM 192 N ALA A 17 4.468 -15.886 -3.565 1.00 0.00 N ATOM 193 CA ALA A 17 3.328 -16.668 -3.103 1.00 0.00 C ATOM 194 C ALA A 17 3.295 -16.743 -1.580 1.00 0.00 C ATOM 195 O ALA A 17 4.203 -17.289 -0.956 1.00 0.00 O ATOM 196 CB ALA A 17 3.370 -18.066 -3.701 1.00 0.00 C ATOM 0 H ALA A 17 5.031 -16.344 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 17 2.418 -16.169 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.513 -18.639 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.337 -17.998 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.290 -18.565 -3.396 1.00 0.00 H new ATOM 202 N GLY A 18 2.240 -16.189 -0.988 1.00 0.00 N ATOM 203 CA GLY A 18 2.109 -16.204 0.457 1.00 0.00 C ATOM 204 C GLY A 18 1.610 -14.883 1.008 1.00 0.00 C ATOM 205 O GLY A 18 2.082 -14.417 2.045 1.00 0.00 O ATOM 0 H GLY A 18 1.475 -15.731 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.422 -16.998 0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.075 -16.439 0.904 1.00 0.00 H new ATOM 209 N ARG A 19 0.655 -14.276 0.311 1.00 0.00 N ATOM 210 CA ARG A 19 0.094 -12.999 0.735 1.00 0.00 C ATOM 211 C ARG A 19 -1.431 -13.035 0.697 1.00 0.00 C ATOM 212 O ARG A 19 -2.027 -14.022 0.266 1.00 0.00 O ATOM 213 CB ARG A 19 0.610 -11.870 -0.159 1.00 0.00 C ATOM 214 CG ARG A 19 2.068 -11.518 0.084 1.00 0.00 C ATOM 215 CD ARG A 19 2.521 -10.371 -0.806 1.00 0.00 C ATOM 216 NE ARG A 19 3.965 -10.383 -1.022 1.00 0.00 N ATOM 217 CZ ARG A 19 4.664 -9.312 -1.380 1.00 0.00 C ATOM 218 NH1 ARG A 19 4.053 -8.149 -1.562 1.00 0.00 N ATOM 219 NH2 ARG A 19 5.976 -9.402 -1.557 1.00 0.00 N ATOM 0 H ARG A 19 0.254 -14.648 -0.550 1.00 0.00 H new ATOM 0 HA ARG A 19 0.410 -12.815 1.762 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.484 -12.158 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.001 -10.982 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.208 -11.245 1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 19 2.691 -12.393 -0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.010 -10.434 -1.767 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.230 -9.424 -0.352 1.00 0.00 H new ATOM 0 HE ARG A 19 4.465 -11.263 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.045 -8.076 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.592 -7.328 -1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.449 -10.295 -1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.511 -8.578 -1.832 1.00 0.00 H new ATOM 233 N GLU A 20 -2.055 -11.954 1.153 1.00 0.00 N ATOM 234 CA GLU A 20 -3.510 -11.864 1.172 1.00 0.00 C ATOM 235 C GLU A 20 -4.005 -10.825 0.170 1.00 0.00 C ATOM 236 O GLU A 20 -5.171 -10.432 0.192 1.00 0.00 O ATOM 237 CB GLU A 20 -4.003 -11.507 2.577 1.00 0.00 C ATOM 238 CG GLU A 20 -4.236 -12.718 3.465 1.00 0.00 C ATOM 239 CD GLU A 20 -4.688 -12.338 4.862 1.00 0.00 C ATOM 240 OE1 GLU A 20 -5.757 -11.703 4.987 1.00 0.00 O ATOM 241 OE2 GLU A 20 -3.974 -12.675 5.829 1.00 0.00 O ATOM 0 H GLU A 20 -1.576 -11.129 1.514 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.911 -12.837 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.274 -10.852 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.932 -10.943 2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.987 -13.361 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.316 -13.299 3.530 1.00 0.00 H new ATOM 248 N TRP A 21 -3.109 -10.385 -0.707 1.00 0.00 N ATOM 249 CA TRP A 21 -3.454 -9.391 -1.717 1.00 0.00 C ATOM 250 C TRP A 21 -3.106 -9.893 -3.115 1.00 0.00 C ATOM 251 O TRP A 21 -2.358 -10.859 -3.271 1.00 0.00 O ATOM 252 CB TRP A 21 -2.725 -8.076 -1.438 1.00 0.00 C ATOM 253 CG TRP A 21 -3.271 -7.334 -0.256 1.00 0.00 C ATOM 254 CD1 TRP A 21 -3.500 -7.837 0.993 1.00 0.00 C ATOM 255 CD2 TRP A 21 -3.657 -5.956 -0.212 1.00 0.00 C ATOM 256 NE1 TRP A 21 -4.006 -6.855 1.810 1.00 0.00 N ATOM 257 CE2 TRP A 21 -4.111 -5.691 1.095 1.00 0.00 C ATOM 258 CE3 TRP A 21 -3.661 -4.919 -1.149 1.00 0.00 C ATOM 259 CZ2 TRP A 21 -4.565 -4.434 1.485 1.00 0.00 C ATOM 260 CZ3 TRP A 21 -4.113 -3.672 -0.761 1.00 0.00 C ATOM 261 CH2 TRP A 21 -4.558 -3.438 0.547 1.00 0.00 C ATOM 0 H TRP A 21 -2.140 -10.701 -0.739 1.00 0.00 H new ATOM 0 HA TRP A 21 -4.529 -9.219 -1.670 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.668 -8.283 -1.271 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -2.790 -7.439 -2.320 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.311 -8.857 1.294 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.262 -6.973 2.790 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -3.317 -5.089 -2.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.910 -4.252 2.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.123 -2.864 -1.478 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -4.902 -2.452 0.820 1.00 0.00 H new ATOM 272 N THR A 22 -3.652 -9.230 -4.130 1.00 0.00 N ATOM 273 CA THR A 22 -3.400 -9.610 -5.514 1.00 0.00 C ATOM 274 C THR A 22 -2.748 -8.469 -6.287 1.00 0.00 C ATOM 275 O THR A 22 -2.686 -7.338 -5.806 1.00 0.00 O ATOM 276 CB THR A 22 -4.700 -10.022 -6.229 1.00 0.00 C ATOM 277 OG1 THR A 22 -5.635 -8.937 -6.210 1.00 0.00 O ATOM 278 CG2 THR A 22 -5.319 -11.243 -5.566 1.00 0.00 C ATOM 0 H THR A 22 -4.271 -8.427 -4.019 1.00 0.00 H new ATOM 0 HA THR A 22 -2.722 -10.463 -5.489 1.00 0.00 H new ATOM 0 HB THR A 22 -4.457 -10.273 -7.261 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.209 -9.014 -5.419 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.236 -11.515 -6.089 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.617 -12.075 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.549 -11.015 -4.525 1.00 0.00 H new ATOM 286 N GLU A 23 -2.264 -8.774 -7.487 1.00 0.00 N ATOM 287 CA GLU A 23 -1.616 -7.772 -8.326 1.00 0.00 C ATOM 288 C GLU A 23 -2.485 -6.524 -8.452 1.00 0.00 C ATOM 289 O GLU A 23 -1.979 -5.403 -8.467 1.00 0.00 O ATOM 290 CB GLU A 23 -1.326 -8.347 -9.714 1.00 0.00 C ATOM 291 CG GLU A 23 -0.720 -7.339 -10.676 1.00 0.00 C ATOM 292 CD GLU A 23 0.793 -7.283 -10.586 1.00 0.00 C ATOM 293 OE1 GLU A 23 1.307 -6.738 -9.587 1.00 0.00 O ATOM 294 OE2 GLU A 23 1.462 -7.784 -11.513 1.00 0.00 O ATOM 0 H GLU A 23 -2.308 -9.706 -7.900 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.675 -7.492 -7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.647 -9.194 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.253 -8.731 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.010 -7.595 -11.695 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.130 -6.351 -10.466 1.00 0.00 H new ATOM 301 N GLN A 24 -3.795 -6.729 -8.543 1.00 0.00 N ATOM 302 CA GLN A 24 -4.734 -5.621 -8.669 1.00 0.00 C ATOM 303 C GLN A 24 -4.743 -4.768 -7.404 1.00 0.00 C ATOM 304 O GLN A 24 -4.321 -3.613 -7.421 1.00 0.00 O ATOM 305 CB GLN A 24 -6.142 -6.147 -8.954 1.00 0.00 C ATOM 306 CG GLN A 24 -7.046 -5.131 -9.632 1.00 0.00 C ATOM 307 CD GLN A 24 -8.334 -5.745 -10.144 1.00 0.00 C ATOM 308 OE1 GLN A 24 -9.428 -5.309 -9.786 1.00 0.00 O ATOM 309 NE2 GLN A 24 -8.210 -6.764 -10.986 1.00 0.00 N ATOM 0 H GLN A 24 -4.230 -7.652 -8.532 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.411 -4.998 -9.503 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.069 -7.033 -9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.601 -6.460 -8.016 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.283 -4.334 -8.927 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.511 -4.672 -10.464 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.283 -7.093 -11.256 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.042 -7.218 -11.363 1.00 0.00 H new ATOM 318 N GLU A 25 -5.228 -5.347 -6.310 1.00 0.00 N ATOM 319 CA GLU A 25 -5.293 -4.638 -5.037 1.00 0.00 C ATOM 320 C GLU A 25 -3.965 -3.952 -4.728 1.00 0.00 C ATOM 321 O GLU A 25 -3.917 -2.745 -4.488 1.00 0.00 O ATOM 322 CB GLU A 25 -5.655 -5.605 -3.908 1.00 0.00 C ATOM 323 CG GLU A 25 -7.150 -5.830 -3.754 1.00 0.00 C ATOM 324 CD GLU A 25 -7.733 -6.659 -4.882 1.00 0.00 C ATOM 325 OE1 GLU A 25 -7.929 -6.107 -5.985 1.00 0.00 O ATOM 326 OE2 GLU A 25 -7.996 -7.860 -4.661 1.00 0.00 O ATOM 0 H GLU A 25 -5.581 -6.303 -6.279 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.067 -3.875 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.169 -6.563 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.256 -5.220 -2.970 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.343 -6.329 -2.804 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.657 -4.866 -3.717 1.00 0.00 H new ATOM 333 N THR A 26 -2.887 -4.731 -4.736 1.00 0.00 N ATOM 334 CA THR A 26 -1.559 -4.200 -4.455 1.00 0.00 C ATOM 335 C THR A 26 -1.336 -2.871 -5.167 1.00 0.00 C ATOM 336 O THR A 26 -1.117 -1.841 -4.528 1.00 0.00 O ATOM 337 CB THR A 26 -0.458 -5.189 -4.880 1.00 0.00 C ATOM 338 OG1 THR A 26 -0.724 -6.485 -4.331 1.00 0.00 O ATOM 339 CG2 THR A 26 0.909 -4.708 -4.419 1.00 0.00 C ATOM 0 H THR A 26 -2.908 -5.731 -4.934 1.00 0.00 H new ATOM 0 HA THR A 26 -1.502 -4.045 -3.378 1.00 0.00 H new ATOM 0 HB THR A 26 -0.456 -5.250 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.296 -6.990 -4.946 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.670 -5.423 -4.731 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.121 -3.735 -4.863 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.917 -4.621 -3.333 1.00 0.00 H new ATOM 347 N LEU A 27 -1.394 -2.900 -6.494 1.00 0.00 N ATOM 348 CA LEU A 27 -1.199 -1.696 -7.295 1.00 0.00 C ATOM 349 C LEU A 27 -2.108 -0.569 -6.814 1.00 0.00 C ATOM 350 O LEU A 27 -1.649 0.540 -6.539 1.00 0.00 O ATOM 351 CB LEU A 27 -1.470 -1.991 -8.771 1.00 0.00 C ATOM 352 CG LEU A 27 -0.418 -2.836 -9.490 1.00 0.00 C ATOM 353 CD1 LEU A 27 -0.902 -3.223 -10.879 1.00 0.00 C ATOM 354 CD2 LEU A 27 0.903 -2.084 -9.575 1.00 0.00 C ATOM 0 H LEU A 27 -1.574 -3.744 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.163 -1.377 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.431 -2.500 -8.849 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.568 -1.042 -9.299 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.258 -3.748 -8.915 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.140 -3.824 -11.375 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.823 -3.801 -10.796 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.091 -2.322 -11.463 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.640 -2.700 -10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.758 -1.155 -10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.258 -1.857 -8.570 1.00 0.00 H new ATOM 366 N LEU A 28 -3.400 -0.862 -6.714 1.00 0.00 N ATOM 367 CA LEU A 28 -4.376 0.126 -6.265 1.00 0.00 C ATOM 368 C LEU A 28 -3.877 0.857 -5.022 1.00 0.00 C ATOM 369 O LEU A 28 -3.901 2.087 -4.961 1.00 0.00 O ATOM 370 CB LEU A 28 -5.716 -0.549 -5.969 1.00 0.00 C ATOM 371 CG LEU A 28 -6.646 -0.748 -7.167 1.00 0.00 C ATOM 372 CD1 LEU A 28 -7.723 -1.771 -6.842 1.00 0.00 C ATOM 373 CD2 LEU A 28 -7.272 0.576 -7.581 1.00 0.00 C ATOM 0 H LEU A 28 -3.796 -1.775 -6.938 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.512 0.855 -7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.518 -1.523 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.242 0.044 -5.221 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.056 -1.125 -8.003 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.375 -1.900 -7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.256 -2.724 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.311 -1.423 -5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.931 0.416 -8.435 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.848 0.982 -6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.486 1.280 -7.856 1.00 0.00 H new ATOM 385 N LEU A 29 -3.424 0.093 -4.035 1.00 0.00 N ATOM 386 CA LEU A 29 -2.916 0.668 -2.794 1.00 0.00 C ATOM 387 C LEU A 29 -1.868 1.739 -3.078 1.00 0.00 C ATOM 388 O LEU A 29 -1.929 2.842 -2.534 1.00 0.00 O ATOM 389 CB LEU A 29 -2.317 -0.427 -1.909 1.00 0.00 C ATOM 390 CG LEU A 29 -1.560 0.052 -0.669 1.00 0.00 C ATOM 391 CD1 LEU A 29 -2.532 0.522 0.401 1.00 0.00 C ATOM 392 CD2 LEU A 29 -0.665 -1.055 -0.131 1.00 0.00 C ATOM 0 H LEU A 29 -3.398 -0.926 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.751 1.134 -2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.122 -1.087 -1.586 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.638 -1.026 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.930 0.895 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.975 0.859 1.275 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.131 1.346 0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.188 -0.301 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.134 -0.697 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.275 -1.918 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.056 -1.344 -0.896 1.00 0.00 H new ATOM 404 N LEU A 30 -0.909 1.407 -3.935 1.00 0.00 N ATOM 405 CA LEU A 30 0.153 2.342 -4.294 1.00 0.00 C ATOM 406 C LEU A 30 -0.418 3.571 -4.995 1.00 0.00 C ATOM 407 O LEU A 30 -0.142 4.704 -4.602 1.00 0.00 O ATOM 408 CB LEU A 30 1.178 1.656 -5.198 1.00 0.00 C ATOM 409 CG LEU A 30 1.931 0.475 -4.584 1.00 0.00 C ATOM 410 CD1 LEU A 30 2.648 -0.321 -5.663 1.00 0.00 C ATOM 411 CD2 LEU A 30 2.918 0.961 -3.532 1.00 0.00 C ATOM 0 H LEU A 30 -0.844 0.498 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 30 0.645 2.665 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.666 1.308 -6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.908 2.400 -5.516 1.00 0.00 H new ATOM 0 HG LEU A 30 1.207 -0.180 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.178 -1.157 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.920 -0.701 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.361 0.323 -6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.445 0.107 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.637 1.638 -3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.380 1.486 -2.743 1.00 0.00 H new ATOM 423 N GLU A 31 -1.216 3.337 -6.032 1.00 0.00 N ATOM 424 CA GLU A 31 -1.827 4.426 -6.786 1.00 0.00 C ATOM 425 C GLU A 31 -2.459 5.449 -5.847 1.00 0.00 C ATOM 426 O GLU A 31 -2.230 6.651 -5.977 1.00 0.00 O ATOM 427 CB GLU A 31 -2.883 3.880 -7.749 1.00 0.00 C ATOM 428 CG GLU A 31 -3.398 4.913 -8.736 1.00 0.00 C ATOM 429 CD GLU A 31 -2.504 5.056 -9.952 1.00 0.00 C ATOM 430 OE1 GLU A 31 -1.514 5.812 -9.876 1.00 0.00 O ATOM 431 OE2 GLU A 31 -2.795 4.409 -10.981 1.00 0.00 O ATOM 0 H GLU A 31 -1.454 2.404 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.044 4.921 -7.361 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.460 3.041 -8.302 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.722 3.491 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.401 4.633 -9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.481 5.878 -8.236 1.00 0.00 H new ATOM 438 N ALA A 32 -3.257 4.963 -4.902 1.00 0.00 N ATOM 439 CA ALA A 32 -3.922 5.834 -3.941 1.00 0.00 C ATOM 440 C ALA A 32 -2.926 6.408 -2.939 1.00 0.00 C ATOM 441 O ALA A 32 -3.105 7.518 -2.436 1.00 0.00 O ATOM 442 CB ALA A 32 -5.024 5.076 -3.216 1.00 0.00 C ATOM 0 H ALA A 32 -3.459 3.970 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.367 6.665 -4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.512 5.739 -2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.757 4.719 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.593 4.226 -2.687 1.00 0.00 H new ATOM 448 N LEU A 33 -1.876 5.646 -2.653 1.00 0.00 N ATOM 449 CA LEU A 33 -0.851 6.079 -1.710 1.00 0.00 C ATOM 450 C LEU A 33 -0.181 7.364 -2.186 1.00 0.00 C ATOM 451 O LEU A 33 0.560 8.002 -1.439 1.00 0.00 O ATOM 452 CB LEU A 33 0.198 4.981 -1.527 1.00 0.00 C ATOM 453 CG LEU A 33 -0.073 3.973 -0.410 1.00 0.00 C ATOM 454 CD1 LEU A 33 1.014 2.910 -0.374 1.00 0.00 C ATOM 455 CD2 LEU A 33 -0.173 4.680 0.934 1.00 0.00 C ATOM 0 H LEU A 33 -1.712 4.725 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.333 6.276 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.292 4.436 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.161 5.455 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.025 3.483 -0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.804 2.202 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.039 2.382 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.980 3.383 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.366 3.947 1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.763 5.197 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.988 5.403 0.905 1.00 0.00 H new ATOM 467 N GLU A 34 -0.448 7.737 -3.434 1.00 0.00 N ATOM 468 CA GLU A 34 0.129 8.947 -4.009 1.00 0.00 C ATOM 469 C GLU A 34 -0.810 10.136 -3.829 1.00 0.00 C ATOM 470 O GLU A 34 -0.366 11.271 -3.661 1.00 0.00 O ATOM 471 CB GLU A 34 0.428 8.740 -5.495 1.00 0.00 C ATOM 472 CG GLU A 34 1.789 8.117 -5.761 1.00 0.00 C ATOM 473 CD GLU A 34 2.918 9.126 -5.679 1.00 0.00 C ATOM 474 OE1 GLU A 34 2.764 10.236 -6.228 1.00 0.00 O ATOM 475 OE2 GLU A 34 3.956 8.804 -5.064 1.00 0.00 O ATOM 0 H GLU A 34 -1.059 7.219 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 34 1.061 9.159 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.344 8.104 -5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.372 9.701 -6.006 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.967 7.319 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.788 7.658 -6.750 1.00 0.00 H new ATOM 482 N MET A 35 -2.111 9.866 -3.866 1.00 0.00 N ATOM 483 CA MET A 35 -3.113 10.913 -3.706 1.00 0.00 C ATOM 484 C MET A 35 -3.640 10.947 -2.275 1.00 0.00 C ATOM 485 O MET A 35 -3.587 11.981 -1.608 1.00 0.00 O ATOM 486 CB MET A 35 -4.270 10.694 -4.683 1.00 0.00 C ATOM 487 CG MET A 35 -3.868 10.834 -6.142 1.00 0.00 C ATOM 488 SD MET A 35 -5.289 10.986 -7.242 1.00 0.00 S ATOM 489 CE MET A 35 -6.041 9.372 -7.048 1.00 0.00 C ATOM 0 H MET A 35 -2.496 8.932 -4.005 1.00 0.00 H new ATOM 0 HA MET A 35 -2.640 11.871 -3.923 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.686 9.699 -4.523 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.062 11.410 -4.462 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.229 11.710 -6.257 1.00 0.00 H new ATOM 0 HG3 MET A 35 -3.276 9.967 -6.437 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.861 9.265 -7.758 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.296 8.599 -7.234 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.425 9.269 -6.033 1.00 0.00 H new ATOM 499 N TYR A 36 -4.149 9.812 -1.809 1.00 0.00 N ATOM 500 CA TYR A 36 -4.689 9.714 -0.458 1.00 0.00 C ATOM 501 C TYR A 36 -3.638 9.180 0.510 1.00 0.00 C ATOM 502 O TYR A 36 -3.959 8.480 1.471 1.00 0.00 O ATOM 503 CB TYR A 36 -5.920 8.806 -0.443 1.00 0.00 C ATOM 504 CG TYR A 36 -6.912 9.113 -1.543 1.00 0.00 C ATOM 505 CD1 TYR A 36 -7.559 10.341 -1.598 1.00 0.00 C ATOM 506 CD2 TYR A 36 -7.202 8.174 -2.525 1.00 0.00 C ATOM 507 CE1 TYR A 36 -8.467 10.625 -2.600 1.00 0.00 C ATOM 508 CE2 TYR A 36 -8.106 8.451 -3.532 1.00 0.00 C ATOM 509 CZ TYR A 36 -8.736 9.677 -3.565 1.00 0.00 C ATOM 510 OH TYR A 36 -9.639 9.956 -4.566 1.00 0.00 O ATOM 0 H TYR A 36 -4.199 8.947 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.980 10.714 -0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.597 7.769 -0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.419 8.900 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.349 11.086 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.713 7.212 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.963 11.584 -2.627 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.318 7.711 -4.290 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.713 9.183 -5.164 1.00 0.00 H new ATOM 520 N LYS A 37 -2.379 9.515 0.250 1.00 0.00 N ATOM 521 CA LYS A 37 -1.278 9.073 1.098 1.00 0.00 C ATOM 522 C LYS A 37 -1.687 9.079 2.568 1.00 0.00 C ATOM 523 O LYS A 37 -1.639 8.048 3.239 1.00 0.00 O ATOM 524 CB LYS A 37 -0.056 9.972 0.894 1.00 0.00 C ATOM 525 CG LYS A 37 -0.393 11.452 0.837 1.00 0.00 C ATOM 526 CD LYS A 37 0.691 12.244 0.126 1.00 0.00 C ATOM 527 CE LYS A 37 0.605 12.076 -1.383 1.00 0.00 C ATOM 528 NZ LYS A 37 1.665 12.848 -2.089 1.00 0.00 N ATOM 0 H LYS A 37 -2.095 10.092 -0.542 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.022 8.052 0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.651 9.800 1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.445 9.686 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.343 11.590 0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.521 11.836 1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.599 13.300 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.670 11.916 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.695 11.020 -1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.375 12.404 -1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.572 12.707 -3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.564 13.859 -1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.601 12.518 -1.778 1.00 0.00 H new ATOM 542 N ASP A 38 -2.089 10.245 3.060 1.00 0.00 N ATOM 543 CA ASP A 38 -2.509 10.384 4.450 1.00 0.00 C ATOM 544 C ASP A 38 -3.973 9.992 4.617 1.00 0.00 C ATOM 545 O ASP A 38 -4.320 9.212 5.504 1.00 0.00 O ATOM 546 CB ASP A 38 -2.295 11.821 4.928 1.00 0.00 C ATOM 547 CG ASP A 38 -2.704 12.845 3.887 1.00 0.00 C ATOM 548 OD1 ASP A 38 -3.893 13.229 3.867 1.00 0.00 O ATOM 549 OD2 ASP A 38 -1.836 13.262 3.092 1.00 0.00 O ATOM 0 H ASP A 38 -2.133 11.108 2.518 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.901 9.713 5.057 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.868 11.986 5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.244 11.964 5.181 1.00 0.00 H new ATOM 554 N ASP A 39 -4.828 10.538 3.760 1.00 0.00 N ATOM 555 CA ASP A 39 -6.256 10.245 3.812 1.00 0.00 C ATOM 556 C ASP A 39 -6.511 8.751 3.639 1.00 0.00 C ATOM 557 O ASP A 39 -6.899 8.299 2.562 1.00 0.00 O ATOM 558 CB ASP A 39 -7.000 11.031 2.731 1.00 0.00 C ATOM 559 CG ASP A 39 -6.762 12.525 2.835 1.00 0.00 C ATOM 560 OD1 ASP A 39 -7.315 13.151 3.764 1.00 0.00 O ATOM 561 OD2 ASP A 39 -6.024 13.068 1.988 1.00 0.00 O ATOM 0 H ASP A 39 -4.557 11.186 3.020 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.628 10.548 4.791 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.682 10.683 1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.068 10.830 2.810 1.00 0.00 H new ATOM 566 N TRP A 40 -6.289 7.991 4.705 1.00 0.00 N ATOM 567 CA TRP A 40 -6.493 6.547 4.670 1.00 0.00 C ATOM 568 C TRP A 40 -7.942 6.211 4.333 1.00 0.00 C ATOM 569 O TRP A 40 -8.224 5.176 3.730 1.00 0.00 O ATOM 570 CB TRP A 40 -6.112 5.925 6.014 1.00 0.00 C ATOM 571 CG TRP A 40 -4.648 6.025 6.321 1.00 0.00 C ATOM 572 CD1 TRP A 40 -4.041 6.946 7.125 1.00 0.00 C ATOM 573 CD2 TRP A 40 -3.609 5.173 5.826 1.00 0.00 C ATOM 574 NE1 TRP A 40 -2.686 6.719 7.160 1.00 0.00 N ATOM 575 CE2 TRP A 40 -2.396 5.636 6.372 1.00 0.00 C ATOM 576 CE3 TRP A 40 -3.585 4.064 4.977 1.00 0.00 C ATOM 577 CZ2 TRP A 40 -1.175 5.028 6.095 1.00 0.00 C ATOM 578 CZ3 TRP A 40 -2.372 3.461 4.702 1.00 0.00 C ATOM 579 CH2 TRP A 40 -1.180 3.944 5.260 1.00 0.00 C ATOM 0 H TRP A 40 -5.968 8.350 5.604 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.852 6.133 3.891 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.677 6.416 6.807 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.406 4.875 6.017 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.551 7.737 7.656 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.006 7.268 7.687 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.498 3.684 4.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -0.256 5.399 6.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.342 2.603 4.046 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.248 3.451 5.026 1.00 0.00 H new ATOM 590 N ASN A 41 -8.856 7.092 4.725 1.00 0.00 N ATOM 591 CA ASN A 41 -10.276 6.887 4.463 1.00 0.00 C ATOM 592 C ASN A 41 -10.513 6.522 3.001 1.00 0.00 C ATOM 593 O ASN A 41 -11.068 5.466 2.696 1.00 0.00 O ATOM 594 CB ASN A 41 -11.069 8.147 4.821 1.00 0.00 C ATOM 595 CG ASN A 41 -12.481 7.832 5.273 1.00 0.00 C ATOM 596 OD1 ASN A 41 -12.811 7.962 6.452 1.00 0.00 O ATOM 597 ND2 ASN A 41 -13.324 7.415 4.335 1.00 0.00 N ATOM 0 H ASN A 41 -8.639 7.954 5.225 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.619 6.060 5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.549 8.688 5.612 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.107 8.808 3.955 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.288 7.188 4.580 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.008 7.322 3.370 1.00 0.00 H new ATOM 604 N LYS A 42 -10.089 7.402 2.101 1.00 0.00 N ATOM 605 CA LYS A 42 -10.253 7.173 0.670 1.00 0.00 C ATOM 606 C LYS A 42 -9.542 5.893 0.240 1.00 0.00 C ATOM 607 O LYS A 42 -10.089 5.094 -0.521 1.00 0.00 O ATOM 608 CB LYS A 42 -9.708 8.363 -0.123 1.00 0.00 C ATOM 609 CG LYS A 42 -10.718 9.482 -0.310 1.00 0.00 C ATOM 610 CD LYS A 42 -11.105 10.111 1.018 1.00 0.00 C ATOM 611 CE LYS A 42 -12.053 11.284 0.824 1.00 0.00 C ATOM 612 NZ LYS A 42 -12.120 12.150 2.034 1.00 0.00 N ATOM 0 H LYS A 42 -9.629 8.281 2.337 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.318 7.064 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.830 8.759 0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.377 8.016 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.300 10.245 -0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.609 9.091 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.577 9.361 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.208 10.449 1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.726 11.878 -0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.050 10.910 0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.777 12.938 1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.456 11.590 2.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.174 12.528 2.244 1.00 0.00 H new ATOM 626 N VAL A 43 -8.322 5.705 0.731 1.00 0.00 N ATOM 627 CA VAL A 43 -7.538 4.521 0.399 1.00 0.00 C ATOM 628 C VAL A 43 -8.404 3.267 0.415 1.00 0.00 C ATOM 629 O VAL A 43 -8.432 2.508 -0.553 1.00 0.00 O ATOM 630 CB VAL A 43 -6.363 4.334 1.378 1.00 0.00 C ATOM 631 CG1 VAL A 43 -5.577 3.078 1.033 1.00 0.00 C ATOM 632 CG2 VAL A 43 -5.461 5.558 1.367 1.00 0.00 C ATOM 0 H VAL A 43 -7.854 6.357 1.360 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.143 4.673 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.765 4.217 2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.751 2.962 1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.233 2.210 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.184 3.162 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.636 5.409 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.064 5.709 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.035 6.435 1.666 1.00 0.00 H new ATOM 642 N SER A 44 -9.110 3.055 1.521 1.00 0.00 N ATOM 643 CA SER A 44 -9.975 1.890 1.665 1.00 0.00 C ATOM 644 C SER A 44 -10.937 1.779 0.486 1.00 0.00 C ATOM 645 O SER A 44 -11.214 0.684 -0.001 1.00 0.00 O ATOM 646 CB SER A 44 -10.762 1.972 2.974 1.00 0.00 C ATOM 647 OG SER A 44 -11.779 2.955 2.898 1.00 0.00 O ATOM 0 H SER A 44 -9.100 3.675 2.331 1.00 0.00 H new ATOM 0 HA SER A 44 -9.345 1.000 1.683 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.206 1.002 3.196 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.085 2.208 3.795 1.00 0.00 H new ATOM 0 HG SER A 44 -11.371 3.842 2.811 1.00 0.00 H new ATOM 653 N GLU A 45 -11.443 2.923 0.034 1.00 0.00 N ATOM 654 CA GLU A 45 -12.375 2.954 -1.088 1.00 0.00 C ATOM 655 C GLU A 45 -11.655 2.666 -2.402 1.00 0.00 C ATOM 656 O GLU A 45 -12.046 1.773 -3.154 1.00 0.00 O ATOM 657 CB GLU A 45 -13.072 4.314 -1.162 1.00 0.00 C ATOM 658 CG GLU A 45 -13.949 4.615 0.041 1.00 0.00 C ATOM 659 CD GLU A 45 -14.289 6.088 0.161 1.00 0.00 C ATOM 660 OE1 GLU A 45 -14.844 6.651 -0.806 1.00 0.00 O ATOM 661 OE2 GLU A 45 -14.000 6.678 1.223 1.00 0.00 O ATOM 0 H GLU A 45 -11.224 3.839 0.427 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.124 2.178 -0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.317 5.095 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.682 4.351 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.871 4.038 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.440 4.288 0.948 1.00 0.00 H new ATOM 668 N HIS A 46 -10.601 3.430 -2.672 1.00 0.00 N ATOM 669 CA HIS A 46 -9.825 3.257 -3.895 1.00 0.00 C ATOM 670 C HIS A 46 -9.548 1.781 -4.159 1.00 0.00 C ATOM 671 O HIS A 46 -9.761 1.287 -5.266 1.00 0.00 O ATOM 672 CB HIS A 46 -8.507 4.027 -3.801 1.00 0.00 C ATOM 673 CG HIS A 46 -7.709 4.004 -5.068 1.00 0.00 C ATOM 674 ND1 HIS A 46 -7.935 4.872 -6.116 1.00 0.00 N ATOM 675 CD2 HIS A 46 -6.680 3.213 -5.452 1.00 0.00 C ATOM 676 CE1 HIS A 46 -7.081 4.614 -7.090 1.00 0.00 C ATOM 677 NE2 HIS A 46 -6.308 3.612 -6.712 1.00 0.00 N ATOM 0 H HIS A 46 -10.265 4.174 -2.061 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.410 3.652 -4.726 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -8.719 5.062 -3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.906 3.606 -2.995 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -8.650 5.599 -6.136 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.234 2.416 -4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.024 5.134 -8.035 1.00 0.00 H new ATOM 686 N VAL A 47 -9.071 1.081 -3.135 1.00 0.00 N ATOM 687 CA VAL A 47 -8.764 -0.340 -3.256 1.00 0.00 C ATOM 688 C VAL A 47 -9.997 -1.134 -3.673 1.00 0.00 C ATOM 689 O VAL A 47 -10.044 -1.698 -4.765 1.00 0.00 O ATOM 690 CB VAL A 47 -8.222 -0.912 -1.932 1.00 0.00 C ATOM 691 CG1 VAL A 47 -7.958 -2.404 -2.064 1.00 0.00 C ATOM 692 CG2 VAL A 47 -6.961 -0.174 -1.510 1.00 0.00 C ATOM 0 H VAL A 47 -8.889 1.475 -2.212 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.997 -0.434 -4.025 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.976 -0.768 -1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.576 -2.791 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.886 -2.917 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.223 -2.575 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.592 -0.591 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.199 -0.285 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.187 0.883 -1.372 1.00 0.00 H new ATOM 702 N GLY A 48 -10.994 -1.174 -2.795 1.00 0.00 N ATOM 703 CA GLY A 48 -12.214 -1.902 -3.090 1.00 0.00 C ATOM 704 C GLY A 48 -12.748 -2.652 -1.886 1.00 0.00 C ATOM 705 O GLY A 48 -13.660 -2.181 -1.207 1.00 0.00 O ATOM 0 H GLY A 48 -10.979 -0.715 -1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.973 -1.205 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.026 -2.607 -3.899 1.00 0.00 H new ATOM 709 N SER A 49 -12.180 -3.824 -1.621 1.00 0.00 N ATOM 710 CA SER A 49 -12.608 -4.643 -0.494 1.00 0.00 C ATOM 711 C SER A 49 -11.578 -4.600 0.632 1.00 0.00 C ATOM 712 O SER A 49 -11.272 -5.621 1.247 1.00 0.00 O ATOM 713 CB SER A 49 -12.829 -6.089 -0.942 1.00 0.00 C ATOM 714 OG SER A 49 -11.643 -6.642 -1.485 1.00 0.00 O ATOM 0 H SER A 49 -11.422 -4.227 -2.172 1.00 0.00 H new ATOM 0 HA SER A 49 -13.548 -4.238 -0.119 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.159 -6.689 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.625 -6.125 -1.686 1.00 0.00 H new ATOM 0 HG SER A 49 -11.810 -7.567 -1.762 1.00 0.00 H new ATOM 720 N ARG A 50 -11.048 -3.410 0.895 1.00 0.00 N ATOM 721 CA ARG A 50 -10.052 -3.232 1.944 1.00 0.00 C ATOM 722 C ARG A 50 -10.439 -2.084 2.872 1.00 0.00 C ATOM 723 O ARG A 50 -11.216 -1.204 2.499 1.00 0.00 O ATOM 724 CB ARG A 50 -8.676 -2.966 1.331 1.00 0.00 C ATOM 725 CG ARG A 50 -7.915 -4.232 0.971 1.00 0.00 C ATOM 726 CD ARG A 50 -7.486 -4.997 2.214 1.00 0.00 C ATOM 727 NE ARG A 50 -8.516 -5.929 2.665 1.00 0.00 N ATOM 728 CZ ARG A 50 -8.914 -6.982 1.960 1.00 0.00 C ATOM 729 NH1 ARG A 50 -8.371 -7.235 0.777 1.00 0.00 N ATOM 730 NH2 ARG A 50 -9.856 -7.784 2.438 1.00 0.00 N ATOM 0 H ARG A 50 -11.292 -2.555 0.396 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.009 -4.150 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.798 -2.358 0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.081 -2.382 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.542 -4.870 0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.036 -3.974 0.380 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.568 -5.545 2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.260 -4.292 3.014 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.954 -5.762 3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.646 -6.620 0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.678 -8.044 0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.276 -7.592 3.348 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.161 -8.592 1.896 1.00 0.00 H new ATOM 744 N THR A 51 -9.891 -2.098 4.083 1.00 0.00 N ATOM 745 CA THR A 51 -10.180 -1.060 5.064 1.00 0.00 C ATOM 746 C THR A 51 -8.937 -0.230 5.367 1.00 0.00 C ATOM 747 O THR A 51 -7.813 -0.716 5.252 1.00 0.00 O ATOM 748 CB THR A 51 -10.714 -1.661 6.378 1.00 0.00 C ATOM 749 OG1 THR A 51 -9.762 -2.583 6.918 1.00 0.00 O ATOM 750 CG2 THR A 51 -12.040 -2.370 6.148 1.00 0.00 C ATOM 0 H THR A 51 -9.244 -2.817 4.408 1.00 0.00 H new ATOM 0 HA THR A 51 -10.946 -0.418 4.629 1.00 0.00 H new ATOM 0 HB THR A 51 -10.872 -0.848 7.086 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.109 -2.959 7.754 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.398 -2.787 7.090 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.771 -1.658 5.765 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.902 -3.174 5.425 1.00 0.00 H new ATOM 758 N GLN A 52 -9.149 1.024 5.755 1.00 0.00 N ATOM 759 CA GLN A 52 -8.045 1.921 6.075 1.00 0.00 C ATOM 760 C GLN A 52 -6.950 1.185 6.840 1.00 0.00 C ATOM 761 O GLN A 52 -5.803 1.125 6.398 1.00 0.00 O ATOM 762 CB GLN A 52 -8.547 3.110 6.896 1.00 0.00 C ATOM 763 CG GLN A 52 -9.701 3.855 6.245 1.00 0.00 C ATOM 764 CD GLN A 52 -11.052 3.264 6.600 1.00 0.00 C ATOM 765 OE1 GLN A 52 -11.137 2.277 7.332 1.00 0.00 O ATOM 766 NE2 GLN A 52 -12.116 3.866 6.083 1.00 0.00 N ATOM 0 H GLN A 52 -10.074 1.441 5.855 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.625 2.288 5.138 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.862 2.756 7.878 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.722 3.804 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.674 4.900 6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.575 3.838 5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.999 4.681 5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.051 3.513 6.287 1.00 0.00 H new ATOM 775 N ASP A 53 -7.312 0.628 7.991 1.00 0.00 N ATOM 776 CA ASP A 53 -6.360 -0.104 8.818 1.00 0.00 C ATOM 777 C ASP A 53 -5.587 -1.122 7.985 1.00 0.00 C ATOM 778 O ASP A 53 -4.357 -1.149 8.009 1.00 0.00 O ATOM 779 CB ASP A 53 -7.086 -0.811 9.964 1.00 0.00 C ATOM 780 CG ASP A 53 -8.192 0.038 10.560 1.00 0.00 C ATOM 781 OD1 ASP A 53 -7.944 1.232 10.828 1.00 0.00 O ATOM 782 OD2 ASP A 53 -9.306 -0.492 10.758 1.00 0.00 O ATOM 0 H ASP A 53 -8.257 0.670 8.372 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.651 0.612 9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.507 -1.748 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.368 -1.066 10.743 1.00 0.00 H new ATOM 787 N GLU A 54 -6.316 -1.956 7.252 1.00 0.00 N ATOM 788 CA GLU A 54 -5.698 -2.976 6.414 1.00 0.00 C ATOM 789 C GLU A 54 -4.625 -2.366 5.516 1.00 0.00 C ATOM 790 O GLU A 54 -3.443 -2.691 5.635 1.00 0.00 O ATOM 791 CB GLU A 54 -6.756 -3.676 5.559 1.00 0.00 C ATOM 792 CG GLU A 54 -7.664 -4.602 6.351 1.00 0.00 C ATOM 793 CD GLU A 54 -6.939 -5.833 6.861 1.00 0.00 C ATOM 794 OE1 GLU A 54 -6.114 -6.391 6.108 1.00 0.00 O ATOM 795 OE2 GLU A 54 -7.198 -6.237 8.014 1.00 0.00 O ATOM 0 H GLU A 54 -7.335 -1.946 7.221 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.226 -3.710 7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.366 -2.922 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.258 -4.250 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.085 -4.057 7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.499 -4.911 5.722 1.00 0.00 H new ATOM 802 N CYS A 55 -5.046 -1.482 4.619 1.00 0.00 N ATOM 803 CA CYS A 55 -4.122 -0.826 3.700 1.00 0.00 C ATOM 804 C CYS A 55 -2.827 -0.446 4.410 1.00 0.00 C ATOM 805 O CYS A 55 -1.733 -0.730 3.921 1.00 0.00 O ATOM 806 CB CYS A 55 -4.770 0.419 3.094 1.00 0.00 C ATOM 807 SG CYS A 55 -6.009 0.064 1.826 1.00 0.00 S ATOM 0 H CYS A 55 -6.021 -1.203 4.508 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.884 -1.528 2.901 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.237 0.997 3.891 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -3.991 1.046 2.660 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.106 0.706 2.099 1.00 0.00 H new ATOM 813 N ILE A 56 -2.958 0.199 5.564 1.00 0.00 N ATOM 814 CA ILE A 56 -1.798 0.618 6.341 1.00 0.00 C ATOM 815 C ILE A 56 -0.873 -0.560 6.627 1.00 0.00 C ATOM 816 O ILE A 56 0.347 -0.454 6.487 1.00 0.00 O ATOM 817 CB ILE A 56 -2.217 1.263 7.675 1.00 0.00 C ATOM 818 CG1 ILE A 56 -3.107 2.481 7.421 1.00 0.00 C ATOM 819 CG2 ILE A 56 -0.989 1.656 8.482 1.00 0.00 C ATOM 820 CD1 ILE A 56 -4.055 2.785 8.560 1.00 0.00 C ATOM 0 H ILE A 56 -3.856 0.443 5.982 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.267 1.357 5.741 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.788 0.534 8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.476 3.351 7.243 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.685 2.315 6.512 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.302 2.111 9.422 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.391 0.769 8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.394 2.371 7.914 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.654 3.661 8.311 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.712 1.931 8.725 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.483 2.983 9.466 1.00 0.00 H new ATOM 832 N LEU A 57 -1.460 -1.683 7.026 1.00 0.00 N ATOM 833 CA LEU A 57 -0.688 -2.883 7.329 1.00 0.00 C ATOM 834 C LEU A 57 0.011 -3.412 6.081 1.00 0.00 C ATOM 835 O LEU A 57 1.235 -3.542 6.050 1.00 0.00 O ATOM 836 CB LEU A 57 -1.599 -3.964 7.914 1.00 0.00 C ATOM 837 CG LEU A 57 -2.441 -3.551 9.122 1.00 0.00 C ATOM 838 CD1 LEU A 57 -3.407 -4.661 9.504 1.00 0.00 C ATOM 839 CD2 LEU A 57 -1.547 -3.191 10.299 1.00 0.00 C ATOM 0 H LEU A 57 -2.467 -1.788 7.147 1.00 0.00 H new ATOM 0 HA LEU A 57 0.073 -2.620 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.271 -4.308 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.981 -4.815 8.201 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.022 -2.669 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.998 -4.349 10.365 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.071 -4.870 8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.846 -5.561 9.756 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.164 -2.900 11.149 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.939 -4.054 10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.897 -2.361 10.022 1.00 0.00 H new ATOM 851 N HIS A 58 -0.775 -3.712 5.052 1.00 0.00 N ATOM 852 CA HIS A 58 -0.231 -4.224 3.799 1.00 0.00 C ATOM 853 C HIS A 58 0.971 -3.399 3.351 1.00 0.00 C ATOM 854 O HIS A 58 1.985 -3.945 2.916 1.00 0.00 O ATOM 855 CB HIS A 58 -1.305 -4.214 2.710 1.00 0.00 C ATOM 856 CG HIS A 58 -0.841 -4.786 1.406 1.00 0.00 C ATOM 857 ND1 HIS A 58 -0.936 -4.305 0.145 1.00 0.00 N flip ATOM 858 CD2 HIS A 58 -0.193 -5.999 1.305 1.00 0.00 C flip ATOM 859 CE1 HIS A 58 -0.349 -5.226 -0.688 1.00 0.00 C flip ATOM 860 NE2 HIS A 58 0.092 -6.239 0.037 1.00 0.00 N flip ATOM 0 H HIS A 58 -1.790 -3.610 5.061 1.00 0.00 H new ATOM 0 HA HIS A 58 0.097 -5.250 3.967 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.169 -4.779 3.058 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -1.638 -3.189 2.549 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.044 -6.651 2.133 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -0.262 -5.137 -1.761 1.00 0.00 H new ATOM 0 HE2 HIS A 58 0.571 -7.065 -0.321 1.00 0.00 H new ATOM 869 N PHE A 59 0.851 -2.080 3.461 1.00 0.00 N ATOM 870 CA PHE A 59 1.928 -1.179 3.065 1.00 0.00 C ATOM 871 C PHE A 59 3.190 -1.450 3.879 1.00 0.00 C ATOM 872 O PHE A 59 4.228 -1.822 3.330 1.00 0.00 O ATOM 873 CB PHE A 59 1.494 0.278 3.245 1.00 0.00 C ATOM 874 CG PHE A 59 2.630 1.257 3.153 1.00 0.00 C ATOM 875 CD1 PHE A 59 3.071 1.711 1.920 1.00 0.00 C ATOM 876 CD2 PHE A 59 3.256 1.722 4.298 1.00 0.00 C ATOM 877 CE1 PHE A 59 4.115 2.613 1.832 1.00 0.00 C ATOM 878 CE2 PHE A 59 4.300 2.624 4.215 1.00 0.00 C ATOM 879 CZ PHE A 59 4.731 3.069 2.980 1.00 0.00 C ATOM 0 H PHE A 59 0.020 -1.611 3.821 1.00 0.00 H new ATOM 0 HA PHE A 59 2.150 -1.358 2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.751 0.524 2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.008 0.387 4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.594 1.356 1.018 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.925 1.376 5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.448 2.961 0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.779 2.981 5.115 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.548 3.772 2.913 1.00 0.00 H new ATOM 889 N LEU A 60 3.094 -1.260 5.190 1.00 0.00 N ATOM 890 CA LEU A 60 4.227 -1.484 6.081 1.00 0.00 C ATOM 891 C LEU A 60 4.927 -2.798 5.752 1.00 0.00 C ATOM 892 O LEU A 60 6.154 -2.891 5.808 1.00 0.00 O ATOM 893 CB LEU A 60 3.763 -1.490 7.538 1.00 0.00 C ATOM 894 CG LEU A 60 3.043 -0.230 8.019 1.00 0.00 C ATOM 895 CD1 LEU A 60 2.274 -0.510 9.300 1.00 0.00 C ATOM 896 CD2 LEU A 60 4.037 0.904 8.228 1.00 0.00 C ATOM 0 H LEU A 60 2.243 -0.951 5.660 1.00 0.00 H new ATOM 0 HA LEU A 60 4.937 -0.670 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.098 -2.342 7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.633 -1.652 8.175 1.00 0.00 H new ATOM 0 HG LEU A 60 2.331 0.074 7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.768 0.399 9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.536 -1.291 9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.966 -0.839 10.075 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.508 1.793 8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.773 0.609 8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.543 1.122 7.288 1.00 0.00 H new ATOM 908 N ARG A 61 4.140 -3.812 5.407 1.00 0.00 N ATOM 909 CA ARG A 61 4.684 -5.121 5.069 1.00 0.00 C ATOM 910 C ARG A 61 5.623 -5.026 3.869 1.00 0.00 C ATOM 911 O ARG A 61 6.713 -5.599 3.873 1.00 0.00 O ATOM 912 CB ARG A 61 3.553 -6.105 4.768 1.00 0.00 C ATOM 913 CG ARG A 61 2.854 -6.630 6.012 1.00 0.00 C ATOM 914 CD ARG A 61 1.426 -7.057 5.711 1.00 0.00 C ATOM 915 NE ARG A 61 0.973 -8.119 6.605 1.00 0.00 N ATOM 916 CZ ARG A 61 -0.154 -8.799 6.427 1.00 0.00 C ATOM 917 NH1 ARG A 61 -0.938 -8.529 5.392 1.00 0.00 N ATOM 918 NH2 ARG A 61 -0.499 -9.751 7.284 1.00 0.00 N ATOM 0 H ARG A 61 3.123 -3.752 5.354 1.00 0.00 H new ATOM 0 HA ARG A 61 5.252 -5.483 5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.818 -5.616 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.956 -6.947 4.205 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.411 -7.477 6.414 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.849 -5.858 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.763 -6.197 5.805 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.360 -7.400 4.678 1.00 0.00 H new ATOM 0 HE ARG A 61 1.554 -8.351 7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.676 -7.798 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.803 -9.052 5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.102 -9.962 8.081 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.365 -10.272 7.146 1.00 0.00 H new ATOM 932 N LEU A 62 5.191 -4.301 2.843 1.00 0.00 N ATOM 933 CA LEU A 62 5.992 -4.131 1.636 1.00 0.00 C ATOM 934 C LEU A 62 7.478 -4.059 1.974 1.00 0.00 C ATOM 935 O LEU A 62 7.880 -3.525 3.008 1.00 0.00 O ATOM 936 CB LEU A 62 5.565 -2.864 0.891 1.00 0.00 C ATOM 937 CG LEU A 62 4.090 -2.783 0.496 1.00 0.00 C ATOM 938 CD1 LEU A 62 3.778 -1.431 -0.125 1.00 0.00 C ATOM 939 CD2 LEU A 62 3.732 -3.909 -0.463 1.00 0.00 C ATOM 0 H LEU A 62 4.291 -3.822 2.823 1.00 0.00 H new ATOM 0 HA LEU A 62 5.826 -4.996 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.801 -2.002 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.168 -2.777 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 62 3.485 -2.894 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.724 -1.391 -0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.995 -0.641 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.391 -1.289 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.679 -3.836 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.344 -3.830 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.917 -4.869 0.018 1.00 0.00 H new ATOM 951 N PRO A 63 8.315 -4.608 1.081 1.00 0.00 N ATOM 952 CA PRO A 63 9.770 -4.617 1.261 1.00 0.00 C ATOM 953 C PRO A 63 10.379 -3.226 1.124 1.00 0.00 C ATOM 954 O PRO A 63 9.662 -2.235 0.982 1.00 0.00 O ATOM 955 CB PRO A 63 10.261 -5.529 0.134 1.00 0.00 C ATOM 956 CG PRO A 63 9.203 -5.443 -0.911 1.00 0.00 C ATOM 957 CD PRO A 63 7.906 -5.262 -0.174 1.00 0.00 C ATOM 0 HA PRO A 63 10.056 -4.956 2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.226 -5.198 -0.251 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.391 -6.554 0.482 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.388 -4.607 -1.586 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.182 -6.346 -1.521 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.206 -4.646 -0.738 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.413 -6.216 0.012 1.00 0.00 H new ATOM 965 N ILE A 64 11.706 -3.159 1.166 1.00 0.00 N ATOM 966 CA ILE A 64 12.410 -1.889 1.045 1.00 0.00 C ATOM 967 C ILE A 64 13.019 -1.729 -0.344 1.00 0.00 C ATOM 968 O ILE A 64 13.654 -2.646 -0.864 1.00 0.00 O ATOM 969 CB ILE A 64 13.525 -1.761 2.100 1.00 0.00 C ATOM 970 CG1 ILE A 64 12.934 -1.831 3.509 1.00 0.00 C ATOM 971 CG2 ILE A 64 14.292 -0.462 1.905 1.00 0.00 C ATOM 972 CD1 ILE A 64 11.925 -0.742 3.796 1.00 0.00 C ATOM 0 H ILE A 64 12.314 -3.969 1.283 1.00 0.00 H new ATOM 0 HA ILE A 64 11.674 -1.102 1.209 1.00 0.00 H new ATOM 0 HB ILE A 64 14.219 -2.592 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 64 12.458 -2.802 3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.743 -1.767 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.076 -0.386 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 64 14.740 -0.450 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.610 0.382 2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 64 11.548 -0.854 4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 64 12.402 0.233 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 64 11.097 -0.819 3.092 1.00 0.00 H new ATOM 984 N GLU A 65 12.823 -0.556 -0.938 1.00 0.00 N ATOM 985 CA GLU A 65 13.354 -0.275 -2.267 1.00 0.00 C ATOM 986 C GLU A 65 14.855 -0.006 -2.207 1.00 0.00 C ATOM 987 O GLU A 65 15.293 1.014 -1.676 1.00 0.00 O ATOM 988 CB GLU A 65 12.634 0.925 -2.885 1.00 0.00 C ATOM 989 CG GLU A 65 11.172 0.659 -3.205 1.00 0.00 C ATOM 990 CD GLU A 65 10.384 1.934 -3.433 1.00 0.00 C ATOM 991 OE1 GLU A 65 10.420 2.462 -4.564 1.00 0.00 O ATOM 992 OE2 GLU A 65 9.729 2.404 -2.479 1.00 0.00 O ATOM 0 H GLU A 65 12.301 0.214 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 65 13.184 -1.152 -2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.699 1.770 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.150 1.216 -3.800 1.00 0.00 H new ATOM 0 HG2 GLU A 65 11.107 0.032 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.721 0.099 -2.386 1.00 0.00 H new ATOM 999 N ASP A 66 15.637 -0.929 -2.755 1.00 0.00 N ATOM 1000 CA ASP A 66 17.089 -0.793 -2.766 1.00 0.00 C ATOM 1001 C ASP A 66 17.658 -1.141 -4.138 1.00 0.00 C ATOM 1002 O ASP A 66 17.188 -2.053 -4.819 1.00 0.00 O ATOM 1003 CB ASP A 66 17.715 -1.691 -1.698 1.00 0.00 C ATOM 1004 CG ASP A 66 17.759 -1.027 -0.336 1.00 0.00 C ATOM 1005 OD1 ASP A 66 17.877 0.215 -0.285 1.00 0.00 O ATOM 1006 OD2 ASP A 66 17.675 -1.749 0.679 1.00 0.00 O ATOM 0 H ASP A 66 15.290 -1.780 -3.198 1.00 0.00 H new ATOM 0 HA ASP A 66 17.333 0.246 -2.545 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.146 -2.618 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.727 -1.959 -2.001 1.00 0.00 H new ATOM 1011 N PRO A 67 18.693 -0.397 -4.555 1.00 0.00 N ATOM 1012 CA PRO A 67 19.348 -0.608 -5.850 1.00 0.00 C ATOM 1013 C PRO A 67 20.139 -1.911 -5.894 1.00 0.00 C ATOM 1014 O PRO A 67 20.584 -2.343 -6.958 1.00 0.00 O ATOM 1015 CB PRO A 67 20.289 0.593 -5.971 1.00 0.00 C ATOM 1016 CG PRO A 67 20.561 1.005 -4.566 1.00 0.00 C ATOM 1017 CD PRO A 67 19.305 0.706 -3.796 1.00 0.00 C ATOM 0 HA PRO A 67 18.627 -0.686 -6.664 1.00 0.00 H new ATOM 0 HB2 PRO A 67 21.209 0.324 -6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 67 19.828 1.401 -6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 67 21.410 0.457 -4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 67 20.809 2.065 -4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.523 0.414 -2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 67 18.647 1.574 -3.748 1.00 0.00 H new ATOM 1025 N TYR A 68 20.311 -2.533 -4.733 1.00 0.00 N ATOM 1026 CA TYR A 68 21.050 -3.786 -4.639 1.00 0.00 C ATOM 1027 C TYR A 68 20.140 -4.923 -4.184 1.00 0.00 C ATOM 1028 O TYR A 68 19.998 -5.934 -4.873 1.00 0.00 O ATOM 1029 CB TYR A 68 22.224 -3.638 -3.669 1.00 0.00 C ATOM 1030 CG TYR A 68 21.821 -3.128 -2.304 1.00 0.00 C ATOM 1031 CD1 TYR A 68 21.357 -1.830 -2.134 1.00 0.00 C ATOM 1032 CD2 TYR A 68 21.904 -3.946 -1.183 1.00 0.00 C ATOM 1033 CE1 TYR A 68 20.989 -1.359 -0.889 1.00 0.00 C ATOM 1034 CE2 TYR A 68 21.536 -3.484 0.066 1.00 0.00 C ATOM 1035 CZ TYR A 68 21.080 -2.191 0.208 1.00 0.00 C ATOM 1036 OH TYR A 68 20.713 -1.727 1.450 1.00 0.00 O ATOM 0 H TYR A 68 19.948 -2.190 -3.844 1.00 0.00 H new ATOM 0 HA TYR A 68 21.434 -4.027 -5.630 1.00 0.00 H new ATOM 0 HB2 TYR A 68 22.715 -4.605 -3.556 1.00 0.00 H new ATOM 0 HB3 TYR A 68 22.957 -2.956 -4.100 1.00 0.00 H new ATOM 0 HD1 TYR A 68 21.283 -1.177 -2.991 1.00 0.00 H new ATOM 0 HD2 TYR A 68 22.262 -4.959 -1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 68 20.632 -0.346 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 68 21.605 -4.133 0.927 1.00 0.00 H new ATOM 0 HH TYR A 68 19.740 -1.618 1.484 1.00 0.00 H new ATOM 1046 N LEU A 69 19.526 -4.750 -3.019 1.00 0.00 N ATOM 1047 CA LEU A 69 18.628 -5.760 -2.470 1.00 0.00 C ATOM 1048 C LEU A 69 17.628 -5.133 -1.503 1.00 0.00 C ATOM 1049 O LEU A 69 18.004 -4.359 -0.623 1.00 0.00 O ATOM 1050 CB LEU A 69 19.430 -6.849 -1.755 1.00 0.00 C ATOM 1051 CG LEU A 69 19.859 -8.040 -2.615 1.00 0.00 C ATOM 1052 CD1 LEU A 69 20.962 -8.826 -1.925 1.00 0.00 C ATOM 1053 CD2 LEU A 69 18.667 -8.938 -2.913 1.00 0.00 C ATOM 0 H LEU A 69 19.633 -3.920 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 69 18.075 -6.206 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 69 20.324 -6.393 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 69 18.835 -7.223 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 69 20.248 -7.661 -3.560 1.00 0.00 H new ATOM 0 HD11 LEU A 69 21.254 -9.669 -2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 69 21.824 -8.178 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 69 20.600 -9.195 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 69 18.990 -9.780 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 18.248 -9.309 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 69 17.908 -8.369 -3.450 1.00 0.00 H new ATOM 1065 N GLU A 70 16.355 -5.474 -1.674 1.00 0.00 N ATOM 1066 CA GLU A 70 15.302 -4.944 -0.815 1.00 0.00 C ATOM 1067 C GLU A 70 15.346 -5.595 0.564 1.00 0.00 C ATOM 1068 O GLU A 70 15.157 -4.931 1.582 1.00 0.00 O ATOM 1069 CB GLU A 70 13.930 -5.170 -1.455 1.00 0.00 C ATOM 1070 CG GLU A 70 13.627 -6.631 -1.744 1.00 0.00 C ATOM 1071 CD GLU A 70 12.613 -6.806 -2.858 1.00 0.00 C ATOM 1072 OE1 GLU A 70 12.774 -6.160 -3.915 1.00 0.00 O ATOM 1073 OE2 GLU A 70 11.659 -7.590 -2.673 1.00 0.00 O ATOM 0 H GLU A 70 16.028 -6.114 -2.398 1.00 0.00 H new ATOM 0 HA GLU A 70 15.468 -3.873 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.160 -4.772 -0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 70 13.875 -4.605 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 70 14.550 -7.143 -2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.252 -7.107 -0.838 1.00 0.00 H new ATOM 1080 N ASN A 71 15.595 -6.901 0.588 1.00 0.00 N ATOM 1081 CA ASN A 71 15.663 -7.643 1.842 1.00 0.00 C ATOM 1082 C ASN A 71 17.001 -8.364 1.976 1.00 0.00 C ATOM 1083 O ASN A 71 17.559 -8.846 0.990 1.00 0.00 O ATOM 1084 CB ASN A 71 14.516 -8.652 1.923 1.00 0.00 C ATOM 1085 CG ASN A 71 13.160 -7.981 2.021 1.00 0.00 C ATOM 1086 OD1 ASN A 71 13.018 -6.797 1.714 1.00 0.00 O ATOM 1087 ND2 ASN A 71 12.156 -8.735 2.451 1.00 0.00 N ATOM 0 H ASN A 71 15.753 -7.467 -0.246 1.00 0.00 H new ATOM 0 HA ASN A 71 15.571 -6.931 2.663 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.538 -9.294 1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.663 -9.296 2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.221 -8.338 2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.320 -9.712 2.694 1.00 0.00 H new ATOM 1094 N SER A 72 17.509 -8.434 3.202 1.00 0.00 N ATOM 1095 CA SER A 72 18.783 -9.094 3.465 1.00 0.00 C ATOM 1096 C SER A 72 18.565 -10.530 3.930 1.00 0.00 C ATOM 1097 O SER A 72 17.577 -10.835 4.599 1.00 0.00 O ATOM 1098 CB SER A 72 19.574 -8.318 4.520 1.00 0.00 C ATOM 1099 OG SER A 72 20.818 -8.943 4.785 1.00 0.00 O ATOM 0 H SER A 72 17.058 -8.042 4.029 1.00 0.00 H new ATOM 0 HA SER A 72 19.353 -9.115 2.536 1.00 0.00 H new ATOM 0 HB2 SER A 72 19.742 -7.298 4.176 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.993 -8.253 5.440 1.00 0.00 H new ATOM 0 HG SER A 72 21.306 -8.428 5.461 1.00 0.00 H new ATOM 1105 N ASP A 73 19.494 -11.409 3.571 1.00 0.00 N ATOM 1106 CA ASP A 73 19.406 -12.814 3.952 1.00 0.00 C ATOM 1107 C ASP A 73 18.021 -13.375 3.643 1.00 0.00 C ATOM 1108 O ASP A 73 17.436 -14.093 4.454 1.00 0.00 O ATOM 1109 CB ASP A 73 19.717 -12.982 5.439 1.00 0.00 C ATOM 1110 CG ASP A 73 21.192 -12.805 5.746 1.00 0.00 C ATOM 1111 OD1 ASP A 73 22.015 -12.997 4.827 1.00 0.00 O ATOM 1112 OD2 ASP A 73 21.522 -12.475 6.904 1.00 0.00 O ATOM 0 H ASP A 73 20.317 -11.173 3.016 1.00 0.00 H new ATOM 0 HA ASP A 73 20.142 -13.369 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 73 19.140 -12.256 6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 73 19.397 -13.972 5.764 1.00 0.00 H new ATOM 1117 N SER A 74 17.501 -13.040 2.466 1.00 0.00 N ATOM 1118 CA SER A 74 16.183 -13.506 2.052 1.00 0.00 C ATOM 1119 C SER A 74 16.128 -15.030 2.029 1.00 0.00 C ATOM 1120 O SER A 74 16.966 -15.683 1.409 1.00 0.00 O ATOM 1121 CB SER A 74 15.833 -12.951 0.670 1.00 0.00 C ATOM 1122 OG SER A 74 15.175 -11.700 0.775 1.00 0.00 O ATOM 0 H SER A 74 17.973 -12.448 1.783 1.00 0.00 H new ATOM 0 HA SER A 74 15.453 -13.144 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.742 -12.839 0.079 1.00 0.00 H new ATOM 0 HB3 SER A 74 15.194 -13.658 0.142 1.00 0.00 H new ATOM 0 HG SER A 74 14.963 -11.365 -0.121 1.00 0.00 H new ATOM 1128 N GLY A 75 15.134 -15.591 2.710 1.00 0.00 N ATOM 1129 CA GLY A 75 14.987 -17.034 2.756 1.00 0.00 C ATOM 1130 C GLY A 75 13.755 -17.515 2.014 1.00 0.00 C ATOM 1131 O GLY A 75 13.203 -16.816 1.165 1.00 0.00 O ATOM 0 H GLY A 75 14.427 -15.072 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.873 -17.500 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.931 -17.358 3.795 1.00 0.00 H new ATOM 1135 N PRO A 76 13.307 -18.738 2.335 1.00 0.00 N ATOM 1136 CA PRO A 76 12.129 -19.340 1.703 1.00 0.00 C ATOM 1137 C PRO A 76 10.834 -18.650 2.117 1.00 0.00 C ATOM 1138 O PRO A 76 10.490 -18.611 3.299 1.00 0.00 O ATOM 1139 CB PRO A 76 12.152 -20.784 2.212 1.00 0.00 C ATOM 1140 CG PRO A 76 12.894 -20.718 3.502 1.00 0.00 C ATOM 1141 CD PRO A 76 13.916 -19.628 3.338 1.00 0.00 C ATOM 0 HA PRO A 76 12.161 -19.256 0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 76 11.143 -21.170 2.355 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.649 -21.446 1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 76 12.219 -20.499 4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 76 13.373 -21.671 3.726 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.102 -19.107 4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.873 -20.022 2.997 1.00 0.00 H new ATOM 1149 N SER A 77 10.118 -18.108 1.137 1.00 0.00 N ATOM 1150 CA SER A 77 8.862 -17.416 1.400 1.00 0.00 C ATOM 1151 C SER A 77 7.682 -18.198 0.830 1.00 0.00 C ATOM 1152 O SER A 77 6.801 -17.630 0.184 1.00 0.00 O ATOM 1153 CB SER A 77 8.894 -16.009 0.800 1.00 0.00 C ATOM 1154 OG SER A 77 9.198 -16.052 -0.583 1.00 0.00 O ATOM 0 H SER A 77 10.387 -18.135 0.153 1.00 0.00 H new ATOM 0 HA SER A 77 8.737 -17.339 2.480 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.929 -15.525 0.949 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.637 -15.405 1.320 1.00 0.00 H new ATOM 0 HG SER A 77 8.467 -16.491 -1.065 1.00 0.00 H new ATOM 1160 N SER A 78 7.672 -19.504 1.075 1.00 0.00 N ATOM 1161 CA SER A 78 6.603 -20.365 0.583 1.00 0.00 C ATOM 1162 C SER A 78 6.057 -21.247 1.703 1.00 0.00 C ATOM 1163 O SER A 78 6.789 -22.036 2.299 1.00 0.00 O ATOM 1164 CB SER A 78 7.110 -21.238 -0.566 1.00 0.00 C ATOM 1165 OG SER A 78 8.260 -21.972 -0.181 1.00 0.00 O ATOM 0 H SER A 78 8.392 -19.989 1.611 1.00 0.00 H new ATOM 0 HA SER A 78 5.797 -19.729 0.218 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.324 -21.925 -0.879 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.346 -20.611 -1.426 1.00 0.00 H new ATOM 0 HG SER A 78 8.135 -22.324 0.725 1.00 0.00 H new ATOM 1171 N GLY A 79 4.765 -21.105 1.983 1.00 0.00 N ATOM 1172 CA GLY A 79 4.142 -21.894 3.030 1.00 0.00 C ATOM 1173 C GLY A 79 2.684 -22.190 2.743 1.00 0.00 C ATOM 1174 O GLY A 79 1.996 -21.395 2.102 1.00 0.00 O ATOM 0 H GLY A 79 4.139 -20.458 1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.684 -22.833 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.222 -21.362 3.978 1.00 0.00 H new TER 1178 GLY A 79