USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 678 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 Single : A 1 GLY N :NH3+ -119:sc= 0.12 (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 170:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.221 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.0754 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.72) USER MOD Single : A 25 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.32) USER MOD Single : A 27 ASN : amide:sc=-0.000919 X(o=-0.00092,f=-0.13) USER MOD Single : A 30 GLN : amide:sc= -4.3! K(o=-4.3!,f=-1.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.157 K(o=-0.16,f=0.84) USER MOD Single : A 61 ASN : amide:sc= -2.61 K(o=-2.6,f=-15!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.253 USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -0.0133 (180deg=-0.241) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.504 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0198 X(o=-0.02,f=-0.1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.0849 X(o=-0.085,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.972 3.102 12.129 1.00 0.00 N ATOM 2 CA GLY A 1 -9.342 3.159 11.647 1.00 0.00 C ATOM 3 C GLY A 1 -9.543 2.222 10.454 1.00 0.00 C ATOM 4 O GLY A 1 -8.641 1.466 10.095 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.964 2.772 13.115 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.424 2.444 11.540 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.546 4.049 12.077 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.026 2.883 12.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.587 4.181 11.357 1.00 0.00 H new ATOM 8 N SER A 2 -10.730 2.302 9.872 1.00 0.00 N ATOM 9 CA SER A 2 -11.061 1.471 8.727 1.00 0.00 C ATOM 10 C SER A 2 -10.371 2.010 7.473 1.00 0.00 C ATOM 11 O SER A 2 -9.903 3.148 7.458 1.00 0.00 O ATOM 12 CB SER A 2 -12.574 1.404 8.514 1.00 0.00 C ATOM 13 OG SER A 2 -12.972 0.184 7.894 1.00 0.00 O ATOM 0 H SER A 2 -11.475 2.930 10.172 1.00 0.00 H new ATOM 0 HA SER A 2 -10.705 0.460 8.924 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.080 1.505 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.891 2.245 7.897 1.00 0.00 H new ATOM 0 HG SER A 2 -13.945 0.179 7.777 1.00 0.00 H new ATOM 19 N SER A 3 -10.331 1.168 6.450 1.00 0.00 N ATOM 20 CA SER A 3 -9.706 1.546 5.194 1.00 0.00 C ATOM 21 C SER A 3 -10.685 2.364 4.348 1.00 0.00 C ATOM 22 O SER A 3 -10.407 3.513 4.008 1.00 0.00 O ATOM 23 CB SER A 3 -9.237 0.313 4.419 1.00 0.00 C ATOM 24 OG SER A 3 -8.242 -0.418 5.131 1.00 0.00 O ATOM 0 H SER A 3 -10.721 0.226 6.466 1.00 0.00 H new ATOM 0 HA SER A 3 -8.831 2.156 5.417 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.090 -0.336 4.219 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.838 0.622 3.453 1.00 0.00 H new ATOM 0 HG SER A 3 -7.970 -1.198 4.604 1.00 0.00 H new ATOM 30 N GLY A 4 -11.810 1.739 4.034 1.00 0.00 N ATOM 31 CA GLY A 4 -12.831 2.394 3.234 1.00 0.00 C ATOM 32 C GLY A 4 -12.952 3.874 3.605 1.00 0.00 C ATOM 33 O GLY A 4 -12.681 4.747 2.782 1.00 0.00 O ATOM 0 H GLY A 4 -12.037 0.786 4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.586 2.299 2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.790 1.898 3.384 1.00 0.00 H new ATOM 37 N SER A 5 -13.359 4.109 4.844 1.00 0.00 N ATOM 38 CA SER A 5 -13.519 5.468 5.333 1.00 0.00 C ATOM 39 C SER A 5 -12.332 6.326 4.892 1.00 0.00 C ATOM 40 O SER A 5 -12.515 7.435 4.391 1.00 0.00 O ATOM 41 CB SER A 5 -13.655 5.492 6.857 1.00 0.00 C ATOM 42 OG SER A 5 -14.946 5.930 7.271 1.00 0.00 O ATOM 0 H SER A 5 -13.583 3.382 5.523 1.00 0.00 H new ATOM 0 HA SER A 5 -14.434 5.880 4.907 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.466 4.494 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.896 6.151 7.278 1.00 0.00 H new ATOM 0 HG SER A 5 -14.993 5.930 8.250 1.00 0.00 H new ATOM 48 N SER A 6 -11.142 5.781 5.094 1.00 0.00 N ATOM 49 CA SER A 6 -9.925 6.483 4.723 1.00 0.00 C ATOM 50 C SER A 6 -9.911 6.748 3.217 1.00 0.00 C ATOM 51 O SER A 6 -9.815 7.896 2.785 1.00 0.00 O ATOM 52 CB SER A 6 -8.683 5.688 5.134 1.00 0.00 C ATOM 53 OG SER A 6 -7.850 6.423 6.026 1.00 0.00 O ATOM 0 H SER A 6 -10.994 4.861 5.510 1.00 0.00 H new ATOM 0 HA SER A 6 -9.905 7.435 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.990 4.756 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.113 5.420 4.244 1.00 0.00 H new ATOM 0 HG SER A 6 -7.159 5.831 6.390 1.00 0.00 H new ATOM 59 N GLY A 7 -10.008 5.666 2.457 1.00 0.00 N ATOM 60 CA GLY A 7 -10.009 5.767 1.008 1.00 0.00 C ATOM 61 C GLY A 7 -10.790 6.998 0.544 1.00 0.00 C ATOM 62 O GLY A 7 -10.468 7.591 -0.485 1.00 0.00 O ATOM 0 H GLY A 7 -10.086 4.715 2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.983 5.824 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.451 4.868 0.578 1.00 0.00 H new ATOM 66 N ALA A 8 -11.802 7.346 1.325 1.00 0.00 N ATOM 67 CA ALA A 8 -12.631 8.496 1.007 1.00 0.00 C ATOM 68 C ALA A 8 -11.960 9.766 1.535 1.00 0.00 C ATOM 69 O ALA A 8 -11.844 10.756 0.814 1.00 0.00 O ATOM 70 CB ALA A 8 -14.031 8.292 1.590 1.00 0.00 C ATOM 0 H ALA A 8 -12.067 6.852 2.177 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.739 8.604 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.654 9.154 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.476 7.394 1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.962 8.182 2.672 1.00 0.00 H new ATOM 76 N SER A 9 -11.535 9.695 2.788 1.00 0.00 N ATOM 77 CA SER A 9 -10.878 10.827 3.420 1.00 0.00 C ATOM 78 C SER A 9 -9.679 11.272 2.580 1.00 0.00 C ATOM 79 O SER A 9 -9.468 12.466 2.377 1.00 0.00 O ATOM 80 CB SER A 9 -10.431 10.480 4.842 1.00 0.00 C ATOM 81 OG SER A 9 -11.294 9.526 5.455 1.00 0.00 O ATOM 0 H SER A 9 -11.633 8.872 3.382 1.00 0.00 H new ATOM 0 HA SER A 9 -11.593 11.647 3.483 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.415 10.086 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.406 11.387 5.446 1.00 0.00 H new ATOM 0 HG SER A 9 -10.974 9.330 6.360 1.00 0.00 H new ATOM 87 N LEU A 10 -8.925 10.287 2.115 1.00 0.00 N ATOM 88 CA LEU A 10 -7.752 10.562 1.302 1.00 0.00 C ATOM 89 C LEU A 10 -8.080 11.672 0.302 1.00 0.00 C ATOM 90 O LEU A 10 -7.257 12.553 0.055 1.00 0.00 O ATOM 91 CB LEU A 10 -7.240 9.277 0.648 1.00 0.00 C ATOM 92 CG LEU A 10 -6.307 8.416 1.502 1.00 0.00 C ATOM 93 CD1 LEU A 10 -6.880 8.211 2.905 1.00 0.00 C ATOM 94 CD2 LEU A 10 -6.000 7.087 0.809 1.00 0.00 C ATOM 0 H LEU A 10 -9.103 9.297 2.286 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.933 10.924 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.100 8.671 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.717 9.544 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.362 8.947 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.197 7.596 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.005 9.178 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.847 7.713 2.834 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.335 6.494 1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.928 6.539 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.518 7.279 -0.149 1.00 0.00 H new ATOM 106 N LEU A 11 -9.283 11.595 -0.246 1.00 0.00 N ATOM 107 CA LEU A 11 -9.730 12.583 -1.214 1.00 0.00 C ATOM 108 C LEU A 11 -9.615 13.980 -0.600 1.00 0.00 C ATOM 109 O LEU A 11 -9.107 14.902 -1.237 1.00 0.00 O ATOM 110 CB LEU A 11 -11.135 12.245 -1.715 1.00 0.00 C ATOM 111 CG LEU A 11 -11.246 11.020 -2.625 1.00 0.00 C ATOM 112 CD1 LEU A 11 -10.747 9.761 -1.913 1.00 0.00 C ATOM 113 CD2 LEU A 11 -12.673 10.854 -3.151 1.00 0.00 C ATOM 0 H LEU A 11 -9.963 10.864 -0.038 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.090 12.568 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.780 12.090 -0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.525 13.109 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.601 11.178 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.837 8.905 -2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.703 9.893 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.346 9.587 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.724 9.976 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.358 10.729 -2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.956 11.739 -3.721 1.00 0.00 H new ATOM 125 N ALA A 12 -10.096 14.092 0.629 1.00 0.00 N ATOM 126 CA ALA A 12 -10.054 15.361 1.336 1.00 0.00 C ATOM 127 C ALA A 12 -8.654 15.570 1.917 1.00 0.00 C ATOM 128 O ALA A 12 -8.060 16.633 1.747 1.00 0.00 O ATOM 129 CB ALA A 12 -11.141 15.382 2.412 1.00 0.00 C ATOM 0 H ALA A 12 -10.517 13.325 1.154 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.255 16.187 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.110 16.334 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.118 15.259 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.971 14.568 3.117 1.00 0.00 H new ATOM 135 N ARG A 13 -8.169 14.539 2.593 1.00 0.00 N ATOM 136 CA ARG A 13 -6.850 14.596 3.200 1.00 0.00 C ATOM 137 C ARG A 13 -5.803 14.999 2.160 1.00 0.00 C ATOM 138 O ARG A 13 -5.072 15.969 2.354 1.00 0.00 O ATOM 139 CB ARG A 13 -6.463 13.245 3.805 1.00 0.00 C ATOM 140 CG ARG A 13 -6.607 13.265 5.328 1.00 0.00 C ATOM 141 CD ARG A 13 -6.091 11.963 5.945 1.00 0.00 C ATOM 142 NE ARG A 13 -5.945 12.119 7.409 1.00 0.00 N ATOM 143 CZ ARG A 13 -5.378 11.206 8.209 1.00 0.00 C ATOM 144 NH1 ARG A 13 -4.900 10.066 7.692 1.00 0.00 N ATOM 145 NH2 ARG A 13 -5.289 11.433 9.527 1.00 0.00 N ATOM 0 H ARG A 13 -8.666 13.659 2.734 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.884 15.341 3.995 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.094 12.461 3.387 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.435 13.003 3.536 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.054 14.110 5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.654 13.409 5.596 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.781 11.148 5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.131 11.696 5.502 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.298 12.975 7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.968 9.893 6.689 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.468 9.371 8.301 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.653 12.301 9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.857 10.738 10.136 1.00 0.00 H new ATOM 159 N TYR A 14 -5.765 14.235 1.078 1.00 0.00 N ATOM 160 CA TYR A 14 -4.820 14.501 0.007 1.00 0.00 C ATOM 161 C TYR A 14 -5.532 15.059 -1.226 1.00 0.00 C ATOM 162 O TYR A 14 -6.720 14.810 -1.428 1.00 0.00 O ATOM 163 CB TYR A 14 -4.194 13.151 -0.348 1.00 0.00 C ATOM 164 CG TYR A 14 -3.398 12.515 0.793 1.00 0.00 C ATOM 165 CD1 TYR A 14 -2.052 12.788 0.932 1.00 0.00 C ATOM 166 CD2 TYR A 14 -4.026 11.668 1.684 1.00 0.00 C ATOM 167 CE1 TYR A 14 -1.303 12.189 2.006 1.00 0.00 C ATOM 168 CE2 TYR A 14 -3.276 11.069 2.758 1.00 0.00 C ATOM 169 CZ TYR A 14 -1.952 11.359 2.866 1.00 0.00 C ATOM 170 OH TYR A 14 -1.245 10.793 3.881 1.00 0.00 O ATOM 0 H TYR A 14 -6.374 13.432 0.920 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.079 15.235 0.323 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.984 12.465 -0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.536 13.282 -1.207 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.561 13.451 0.235 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.079 11.455 1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.249 12.394 2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.755 10.404 3.462 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.838 10.225 4.416 1.00 0.00 H new ATOM 180 N PRO A 15 -4.757 15.824 -2.041 1.00 0.00 N ATOM 181 CA PRO A 15 -5.301 16.420 -3.249 1.00 0.00 C ATOM 182 C PRO A 15 -5.478 15.369 -4.347 1.00 0.00 C ATOM 183 O PRO A 15 -5.010 14.240 -4.211 1.00 0.00 O ATOM 184 CB PRO A 15 -4.315 17.514 -3.627 1.00 0.00 C ATOM 185 CG PRO A 15 -3.026 17.186 -2.890 1.00 0.00 C ATOM 186 CD PRO A 15 -3.347 16.141 -1.834 1.00 0.00 C ATOM 0 HA PRO A 15 -6.298 16.835 -3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.153 17.539 -4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.691 18.496 -3.338 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.275 16.809 -3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.612 18.082 -2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.721 15.256 -1.950 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.171 16.526 -0.830 1.00 0.00 H new ATOM 194 N PRO A 16 -6.172 15.790 -5.438 1.00 0.00 N ATOM 195 CA PRO A 16 -6.417 14.898 -6.559 1.00 0.00 C ATOM 196 C PRO A 16 -5.150 14.708 -7.395 1.00 0.00 C ATOM 197 O PRO A 16 -5.040 13.744 -8.151 1.00 0.00 O ATOM 198 CB PRO A 16 -7.551 15.545 -7.337 1.00 0.00 C ATOM 199 CG PRO A 16 -7.586 16.998 -6.891 1.00 0.00 C ATOM 200 CD PRO A 16 -6.741 17.120 -5.633 1.00 0.00 C ATOM 0 HA PRO A 16 -6.693 13.892 -6.243 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.380 15.470 -8.411 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.500 15.050 -7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.198 17.648 -7.676 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.611 17.312 -6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.960 17.871 -5.752 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.346 17.421 -4.778 1.00 0.00 H new ATOM 208 N GLU A 17 -4.226 15.643 -7.231 1.00 0.00 N ATOM 209 CA GLU A 17 -2.971 15.591 -7.962 1.00 0.00 C ATOM 210 C GLU A 17 -1.993 14.639 -7.270 1.00 0.00 C ATOM 211 O GLU A 17 -0.891 14.408 -7.765 1.00 0.00 O ATOM 212 CB GLU A 17 -2.364 16.988 -8.110 1.00 0.00 C ATOM 213 CG GLU A 17 -1.954 17.554 -6.749 1.00 0.00 C ATOM 214 CD GLU A 17 -2.116 19.075 -6.717 1.00 0.00 C ATOM 215 OE1 GLU A 17 -1.677 19.714 -7.698 1.00 0.00 O ATOM 216 OE2 GLU A 17 -2.676 19.565 -5.713 1.00 0.00 O ATOM 0 H GLU A 17 -4.321 16.441 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.172 15.210 -8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.495 16.943 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.086 17.654 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.563 17.103 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.917 17.290 -6.539 1.00 0.00 H new ATOM 223 N LYS A 18 -2.432 14.112 -6.137 1.00 0.00 N ATOM 224 CA LYS A 18 -1.609 13.190 -5.372 1.00 0.00 C ATOM 225 C LYS A 18 -2.456 11.987 -4.951 1.00 0.00 C ATOM 226 O LYS A 18 -2.027 11.180 -4.127 1.00 0.00 O ATOM 227 CB LYS A 18 -0.942 13.913 -4.201 1.00 0.00 C ATOM 228 CG LYS A 18 -0.408 15.280 -4.633 1.00 0.00 C ATOM 229 CD LYS A 18 0.300 15.984 -3.473 1.00 0.00 C ATOM 230 CE LYS A 18 1.412 16.902 -3.985 1.00 0.00 C ATOM 231 NZ LYS A 18 2.129 17.528 -2.852 1.00 0.00 N ATOM 0 H LYS A 18 -3.347 14.306 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.794 12.807 -5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.660 14.039 -3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.125 13.306 -3.812 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.285 15.157 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.231 15.899 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.422 16.566 -2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.720 15.242 -2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.112 16.330 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.988 17.675 -4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.880 18.148 -3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.461 18.090 -2.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.550 16.787 -2.256 1.00 0.00 H new ATOM 245 N LEU A 19 -3.642 11.905 -5.534 1.00 0.00 N ATOM 246 CA LEU A 19 -4.553 10.815 -5.229 1.00 0.00 C ATOM 247 C LEU A 19 -4.261 9.637 -6.162 1.00 0.00 C ATOM 248 O LEU A 19 -4.529 9.709 -7.360 1.00 0.00 O ATOM 249 CB LEU A 19 -6.004 11.297 -5.283 1.00 0.00 C ATOM 250 CG LEU A 19 -6.613 11.739 -3.951 1.00 0.00 C ATOM 251 CD1 LEU A 19 -7.922 12.500 -4.172 1.00 0.00 C ATOM 252 CD2 LEU A 19 -6.795 10.547 -3.009 1.00 0.00 C ATOM 0 H LEU A 19 -3.994 12.576 -6.217 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.397 10.462 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.063 12.131 -5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.618 10.495 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.918 12.427 -3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.334 12.803 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.730 13.385 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.635 11.855 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.229 10.889 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.459 9.816 -3.471 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.827 10.086 -2.814 1.00 0.00 H new ATOM 264 N PHE A 20 -3.717 8.580 -5.576 1.00 0.00 N ATOM 265 CA PHE A 20 -3.387 7.389 -6.340 1.00 0.00 C ATOM 266 C PHE A 20 -3.944 6.134 -5.666 1.00 0.00 C ATOM 267 O PHE A 20 -3.946 6.032 -4.440 1.00 0.00 O ATOM 268 CB PHE A 20 -1.860 7.295 -6.384 1.00 0.00 C ATOM 269 CG PHE A 20 -1.212 8.192 -7.441 1.00 0.00 C ATOM 270 CD1 PHE A 20 -1.138 7.775 -8.733 1.00 0.00 C ATOM 271 CD2 PHE A 20 -0.710 9.406 -7.088 1.00 0.00 C ATOM 272 CE1 PHE A 20 -0.536 8.607 -9.714 1.00 0.00 C ATOM 273 CE2 PHE A 20 -0.109 10.238 -8.069 1.00 0.00 C ATOM 274 CZ PHE A 20 -0.034 9.821 -9.361 1.00 0.00 C ATOM 0 H PHE A 20 -3.497 8.524 -4.582 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.820 7.455 -7.338 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.462 7.559 -5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.575 6.261 -6.576 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.537 6.811 -9.013 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.769 9.737 -6.062 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.477 8.276 -10.740 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.289 11.202 -7.789 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.424 10.454 -10.107 1.00 0.00 H new ATOM 284 N GLN A 21 -4.403 5.209 -6.496 1.00 0.00 N ATOM 285 CA GLN A 21 -4.961 3.964 -5.996 1.00 0.00 C ATOM 286 C GLN A 21 -3.960 2.822 -6.180 1.00 0.00 C ATOM 287 O GLN A 21 -2.934 2.990 -6.836 1.00 0.00 O ATOM 288 CB GLN A 21 -6.290 3.645 -6.682 1.00 0.00 C ATOM 289 CG GLN A 21 -7.237 2.911 -5.730 1.00 0.00 C ATOM 290 CD GLN A 21 -8.691 3.054 -6.184 1.00 0.00 C ATOM 291 OE1 GLN A 21 -8.997 3.121 -7.363 1.00 0.00 O ATOM 292 NE2 GLN A 21 -9.568 3.096 -5.185 1.00 0.00 N ATOM 0 H GLN A 21 -4.400 5.297 -7.512 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.159 4.079 -4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.757 4.568 -7.025 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.109 3.032 -7.565 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.968 1.856 -5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.126 3.310 -4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.245 3.035 -4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.564 3.189 -5.384 1.00 0.00 H new ATOM 301 N ALA A 22 -4.294 1.684 -5.588 1.00 0.00 N ATOM 302 CA ALA A 22 -3.438 0.514 -5.678 1.00 0.00 C ATOM 303 C ALA A 22 -3.809 -0.289 -6.927 1.00 0.00 C ATOM 304 O ALA A 22 -4.782 -1.041 -6.919 1.00 0.00 O ATOM 305 CB ALA A 22 -3.563 -0.311 -4.396 1.00 0.00 C ATOM 0 H ALA A 22 -5.146 1.548 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.393 0.810 -5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.920 -1.189 -4.464 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.260 0.295 -3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.598 -0.628 -4.267 1.00 0.00 H new ATOM 311 N GLU A 23 -3.013 -0.103 -7.969 1.00 0.00 N ATOM 312 CA GLU A 23 -3.245 -0.800 -9.223 1.00 0.00 C ATOM 313 C GLU A 23 -3.582 -2.269 -8.958 1.00 0.00 C ATOM 314 O GLU A 23 -4.604 -2.769 -9.425 1.00 0.00 O ATOM 315 CB GLU A 23 -2.037 -0.674 -10.153 1.00 0.00 C ATOM 316 CG GLU A 23 -2.071 0.649 -10.920 1.00 0.00 C ATOM 317 CD GLU A 23 -2.903 0.520 -12.198 1.00 0.00 C ATOM 318 OE1 GLU A 23 -4.145 0.465 -12.063 1.00 0.00 O ATOM 319 OE2 GLU A 23 -2.279 0.481 -13.280 1.00 0.00 O ATOM 0 H GLU A 23 -2.206 0.521 -7.971 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.095 -0.336 -9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.117 -0.738 -9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.027 -1.506 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.490 1.430 -10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.055 0.954 -11.172 1.00 0.00 H new ATOM 326 N ARG A 24 -2.704 -2.919 -8.208 1.00 0.00 N ATOM 327 CA ARG A 24 -2.896 -4.320 -7.875 1.00 0.00 C ATOM 328 C ARG A 24 -2.541 -4.571 -6.408 1.00 0.00 C ATOM 329 O ARG A 24 -2.067 -3.670 -5.718 1.00 0.00 O ATOM 330 CB ARG A 24 -2.033 -5.220 -8.763 1.00 0.00 C ATOM 331 CG ARG A 24 -0.613 -4.666 -8.890 1.00 0.00 C ATOM 332 CD ARG A 24 0.400 -5.794 -9.089 1.00 0.00 C ATOM 333 NE ARG A 24 1.378 -5.418 -10.134 1.00 0.00 N ATOM 334 CZ ARG A 24 1.112 -5.417 -11.447 1.00 0.00 C ATOM 335 NH1 ARG A 24 -0.104 -5.773 -11.885 1.00 0.00 N ATOM 336 NH2 ARG A 24 2.061 -5.060 -12.324 1.00 0.00 N ATOM 0 H ARG A 24 -1.858 -2.501 -7.822 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.946 -4.560 -8.044 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.999 -6.225 -8.343 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.485 -5.302 -9.752 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.563 -3.975 -9.731 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.359 -4.098 -7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.918 -5.999 -8.152 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.116 -6.711 -9.375 1.00 0.00 H new ATOM 0 HE ARG A 24 2.314 -5.142 -9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.827 -6.045 -11.219 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.306 -5.772 -12.885 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.986 -4.789 -11.992 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.858 -5.060 -13.324 1.00 0.00 H new ATOM 350 N ASN A 25 -2.783 -5.799 -5.976 1.00 0.00 N ATOM 351 CA ASN A 25 -2.495 -6.180 -4.603 1.00 0.00 C ATOM 352 C ASN A 25 -0.994 -6.037 -4.343 1.00 0.00 C ATOM 353 O ASN A 25 -0.226 -6.965 -4.592 1.00 0.00 O ATOM 354 CB ASN A 25 -2.883 -7.637 -4.342 1.00 0.00 C ATOM 355 CG ASN A 25 -4.326 -7.905 -4.773 1.00 0.00 C ATOM 356 OD1 ASN A 25 -4.594 -8.478 -5.816 1.00 0.00 O ATOM 357 ND2 ASN A 25 -5.239 -7.461 -3.913 1.00 0.00 N ATOM 0 H ASN A 25 -3.175 -6.544 -6.552 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.072 -5.530 -3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.209 -8.300 -4.884 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.768 -7.864 -3.282 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.231 -7.593 -4.109 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.947 -6.989 -3.057 1.00 0.00 H new ATOM 364 N PHE A 26 -0.621 -4.866 -3.847 1.00 0.00 N ATOM 365 CA PHE A 26 0.775 -4.590 -3.551 1.00 0.00 C ATOM 366 C PHE A 26 1.242 -5.378 -2.326 1.00 0.00 C ATOM 367 O PHE A 26 0.569 -5.387 -1.296 1.00 0.00 O ATOM 368 CB PHE A 26 0.880 -3.093 -3.251 1.00 0.00 C ATOM 369 CG PHE A 26 2.311 -2.605 -3.013 1.00 0.00 C ATOM 370 CD1 PHE A 26 2.868 -2.708 -1.777 1.00 0.00 C ATOM 371 CD2 PHE A 26 3.025 -2.068 -4.039 1.00 0.00 C ATOM 372 CE1 PHE A 26 4.196 -2.255 -1.557 1.00 0.00 C ATOM 373 CE2 PHE A 26 4.353 -1.616 -3.818 1.00 0.00 C ATOM 374 CZ PHE A 26 4.910 -1.719 -2.582 1.00 0.00 C ATOM 0 H PHE A 26 -1.261 -4.098 -3.643 1.00 0.00 H new ATOM 0 HA PHE A 26 1.400 -4.881 -4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.450 -2.535 -4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.278 -2.866 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.301 -3.134 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.582 -1.986 -5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.639 -2.336 -0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.921 -1.190 -4.632 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.920 -1.375 -2.415 1.00 0.00 H new ATOM 384 N ASN A 27 2.391 -6.020 -2.478 1.00 0.00 N ATOM 385 CA ASN A 27 2.956 -6.809 -1.396 1.00 0.00 C ATOM 386 C ASN A 27 4.289 -6.195 -0.965 1.00 0.00 C ATOM 387 O ASN A 27 5.246 -6.173 -1.738 1.00 0.00 O ATOM 388 CB ASN A 27 3.221 -8.248 -1.845 1.00 0.00 C ATOM 389 CG ASN A 27 2.958 -9.234 -0.705 1.00 0.00 C ATOM 390 OD1 ASN A 27 3.332 -9.018 0.436 1.00 0.00 O ATOM 391 ND2 ASN A 27 2.297 -10.326 -1.077 1.00 0.00 N ATOM 0 H ASN A 27 2.946 -6.010 -3.334 1.00 0.00 H new ATOM 0 HA ASN A 27 2.242 -6.813 -0.573 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.584 -8.491 -2.695 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.253 -8.343 -2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.074 -11.046 -0.390 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.013 -10.444 -2.050 1.00 0.00 H new ATOM 398 N ALA A 28 4.310 -5.711 0.268 1.00 0.00 N ATOM 399 CA ALA A 28 5.510 -5.098 0.811 1.00 0.00 C ATOM 400 C ALA A 28 6.728 -5.940 0.425 1.00 0.00 C ATOM 401 O ALA A 28 6.826 -7.106 0.805 1.00 0.00 O ATOM 402 CB ALA A 28 5.364 -4.944 2.327 1.00 0.00 C ATOM 0 H ALA A 28 3.515 -5.731 0.907 1.00 0.00 H new ATOM 0 HA ALA A 28 5.653 -4.101 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.264 -4.484 2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.503 -4.313 2.547 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.221 -5.925 2.780 1.00 0.00 H new ATOM 408 N ALA A 29 7.625 -5.317 -0.325 1.00 0.00 N ATOM 409 CA ALA A 29 8.831 -5.995 -0.766 1.00 0.00 C ATOM 410 C ALA A 29 10.029 -5.462 0.023 1.00 0.00 C ATOM 411 O ALA A 29 10.912 -6.226 0.410 1.00 0.00 O ATOM 412 CB ALA A 29 8.999 -5.809 -2.276 1.00 0.00 C ATOM 0 H ALA A 29 7.540 -4.350 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 29 8.760 -7.066 -0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.904 -6.318 -2.607 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.137 -6.230 -2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.076 -4.746 -2.505 1.00 0.00 H new ATOM 418 N GLN A 30 10.020 -4.154 0.238 1.00 0.00 N ATOM 419 CA GLN A 30 11.095 -3.510 0.974 1.00 0.00 C ATOM 420 C GLN A 30 10.712 -3.359 2.448 1.00 0.00 C ATOM 421 O GLN A 30 9.673 -3.857 2.877 1.00 0.00 O ATOM 422 CB GLN A 30 11.446 -2.155 0.357 1.00 0.00 C ATOM 423 CG GLN A 30 12.390 -2.323 -0.835 1.00 0.00 C ATOM 424 CD GLN A 30 11.659 -2.937 -2.031 1.00 0.00 C ATOM 425 OE1 GLN A 30 11.905 -4.064 -2.430 1.00 0.00 O ATOM 426 NE2 GLN A 30 10.748 -2.137 -2.578 1.00 0.00 N ATOM 0 H GLN A 30 9.286 -3.523 -0.084 1.00 0.00 H new ATOM 0 HA GLN A 30 11.982 -4.141 0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.535 -1.651 0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.914 -1.519 1.109 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.804 -1.354 -1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.229 -2.958 -0.552 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.592 -1.205 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.206 -2.456 -3.381 1.00 0.00 H new ATOM 435 N ASP A 31 11.574 -2.671 3.182 1.00 0.00 N ATOM 436 CA ASP A 31 11.339 -2.448 4.599 1.00 0.00 C ATOM 437 C ASP A 31 10.432 -1.229 4.776 1.00 0.00 C ATOM 438 O ASP A 31 9.745 -1.104 5.789 1.00 0.00 O ATOM 439 CB ASP A 31 12.650 -2.173 5.337 1.00 0.00 C ATOM 440 CG ASP A 31 12.532 -2.103 6.861 1.00 0.00 C ATOM 441 OD1 ASP A 31 11.750 -2.911 7.407 1.00 0.00 O ATOM 442 OD2 ASP A 31 13.225 -1.243 7.445 1.00 0.00 O ATOM 0 H ASP A 31 12.436 -2.261 2.823 1.00 0.00 H new ATOM 0 HA ASP A 31 10.875 -3.345 5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.366 -2.954 5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.062 -1.231 4.976 1.00 0.00 H new ATOM 447 N LEU A 32 10.458 -0.362 3.775 1.00 0.00 N ATOM 448 CA LEU A 32 9.646 0.843 3.807 1.00 0.00 C ATOM 449 C LEU A 32 8.316 0.575 3.099 1.00 0.00 C ATOM 450 O LEU A 32 7.314 1.230 3.384 1.00 0.00 O ATOM 451 CB LEU A 32 10.422 2.028 3.230 1.00 0.00 C ATOM 452 CG LEU A 32 11.768 2.334 3.891 1.00 0.00 C ATOM 453 CD1 LEU A 32 12.522 3.421 3.122 1.00 0.00 C ATOM 454 CD2 LEU A 32 11.584 2.699 5.365 1.00 0.00 C ATOM 0 H LEU A 32 11.029 -0.470 2.936 1.00 0.00 H new ATOM 0 HA LEU A 32 9.411 1.117 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.594 1.843 2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.795 2.917 3.300 1.00 0.00 H new ATOM 0 HG LEU A 32 12.379 1.432 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.475 3.619 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.703 3.085 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.926 4.334 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.555 2.912 5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.947 3.580 5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.118 1.866 5.891 1.00 0.00 H new ATOM 466 N ASP A 33 8.349 -0.388 2.191 1.00 0.00 N ATOM 467 CA ASP A 33 7.159 -0.750 1.440 1.00 0.00 C ATOM 468 C ASP A 33 6.063 -1.192 2.412 1.00 0.00 C ATOM 469 O ASP A 33 6.340 -1.486 3.573 1.00 0.00 O ATOM 470 CB ASP A 33 7.442 -1.912 0.486 1.00 0.00 C ATOM 471 CG ASP A 33 8.267 -1.549 -0.750 1.00 0.00 C ATOM 472 OD1 ASP A 33 8.669 -0.368 -0.837 1.00 0.00 O ATOM 473 OD2 ASP A 33 8.477 -2.459 -1.580 1.00 0.00 O ATOM 0 H ASP A 33 9.181 -0.929 1.958 1.00 0.00 H new ATOM 0 HA ASP A 33 6.846 0.121 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.965 -2.695 1.036 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.491 -2.333 0.159 1.00 0.00 H new ATOM 478 N VAL A 34 4.841 -1.224 1.901 1.00 0.00 N ATOM 479 CA VAL A 34 3.702 -1.625 2.709 1.00 0.00 C ATOM 480 C VAL A 34 2.633 -2.243 1.805 1.00 0.00 C ATOM 481 O VAL A 34 2.305 -1.688 0.758 1.00 0.00 O ATOM 482 CB VAL A 34 3.186 -0.432 3.515 1.00 0.00 C ATOM 483 CG1 VAL A 34 4.346 0.421 4.036 1.00 0.00 C ATOM 484 CG2 VAL A 34 2.215 0.411 2.686 1.00 0.00 C ATOM 0 H VAL A 34 4.615 -0.979 0.937 1.00 0.00 H new ATOM 0 HA VAL A 34 3.996 -2.386 3.432 1.00 0.00 H new ATOM 0 HB VAL A 34 2.642 -0.820 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.952 1.263 4.606 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.983 -0.186 4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.930 0.794 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.863 1.253 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.724 0.784 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.365 -0.202 2.387 1.00 0.00 H new ATOM 494 N SER A 35 2.120 -3.383 2.244 1.00 0.00 N ATOM 495 CA SER A 35 1.095 -4.082 1.488 1.00 0.00 C ATOM 496 C SER A 35 -0.131 -3.184 1.314 1.00 0.00 C ATOM 497 O SER A 35 -0.432 -2.365 2.180 1.00 0.00 O ATOM 498 CB SER A 35 0.701 -5.392 2.174 1.00 0.00 C ATOM 499 OG SER A 35 -0.607 -5.817 1.802 1.00 0.00 O ATOM 0 H SER A 35 2.395 -3.840 3.113 1.00 0.00 H new ATOM 0 HA SER A 35 1.501 -4.326 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.422 -6.168 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.746 -5.263 3.255 1.00 0.00 H new ATOM 0 HG SER A 35 -0.820 -6.657 2.259 1.00 0.00 H new ATOM 505 N LEU A 36 -0.806 -3.369 0.189 1.00 0.00 N ATOM 506 CA LEU A 36 -1.992 -2.586 -0.110 1.00 0.00 C ATOM 507 C LEU A 36 -2.941 -3.415 -0.978 1.00 0.00 C ATOM 508 O LEU A 36 -2.506 -4.322 -1.687 1.00 0.00 O ATOM 509 CB LEU A 36 -1.605 -1.242 -0.732 1.00 0.00 C ATOM 510 CG LEU A 36 -0.833 -0.281 0.175 1.00 0.00 C ATOM 511 CD1 LEU A 36 -0.327 0.928 -0.614 1.00 0.00 C ATOM 512 CD2 LEU A 36 -1.679 0.134 1.380 1.00 0.00 C ATOM 0 H LEU A 36 -0.554 -4.050 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.529 -2.344 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.003 -1.435 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.515 -0.743 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 36 0.042 -0.803 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.218 1.596 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.336 0.591 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.174 1.460 -1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.107 0.817 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.585 0.632 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.949 -0.750 1.957 1.00 0.00 H new ATOM 524 N LEU A 37 -4.218 -3.074 -0.895 1.00 0.00 N ATOM 525 CA LEU A 37 -5.232 -3.776 -1.664 1.00 0.00 C ATOM 526 C LEU A 37 -5.456 -3.046 -2.990 1.00 0.00 C ATOM 527 O LEU A 37 -5.468 -1.816 -3.031 1.00 0.00 O ATOM 528 CB LEU A 37 -6.506 -3.953 -0.836 1.00 0.00 C ATOM 529 CG LEU A 37 -6.480 -5.074 0.205 1.00 0.00 C ATOM 530 CD1 LEU A 37 -7.835 -5.206 0.903 1.00 0.00 C ATOM 531 CD2 LEU A 37 -6.026 -6.394 -0.422 1.00 0.00 C ATOM 0 H LEU A 37 -4.574 -2.321 -0.307 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.896 -4.784 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.716 -3.014 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.336 -4.137 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.749 -4.813 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.789 -6.010 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.079 -4.269 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.604 -5.433 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.016 -7.174 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.714 -6.674 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.023 -6.276 -0.833 1.00 0.00 H new ATOM 543 N GLU A 38 -5.628 -3.834 -4.041 1.00 0.00 N ATOM 544 CA GLU A 38 -5.852 -3.278 -5.365 1.00 0.00 C ATOM 545 C GLU A 38 -6.954 -2.218 -5.316 1.00 0.00 C ATOM 546 O GLU A 38 -7.035 -1.360 -6.194 1.00 0.00 O ATOM 547 CB GLU A 38 -6.192 -4.378 -6.371 1.00 0.00 C ATOM 548 CG GLU A 38 -7.233 -5.342 -5.799 1.00 0.00 C ATOM 549 CD GLU A 38 -7.851 -6.202 -6.904 1.00 0.00 C ATOM 550 OE1 GLU A 38 -8.772 -5.687 -7.574 1.00 0.00 O ATOM 551 OE2 GLU A 38 -7.388 -7.353 -7.052 1.00 0.00 O ATOM 0 H GLU A 38 -5.617 -4.853 -4.003 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.931 -2.800 -5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.572 -3.931 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.288 -4.927 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.767 -5.984 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.016 -4.778 -5.292 1.00 0.00 H new ATOM 558 N GLY A 39 -7.777 -2.313 -4.281 1.00 0.00 N ATOM 559 CA GLY A 39 -8.871 -1.373 -4.107 1.00 0.00 C ATOM 560 C GLY A 39 -8.472 -0.235 -3.165 1.00 0.00 C ATOM 561 O GLY A 39 -8.996 0.873 -3.268 1.00 0.00 O ATOM 0 H GLY A 39 -7.708 -3.026 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.161 -0.964 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.742 -1.893 -3.707 1.00 0.00 H new ATOM 565 N ASP A 40 -7.548 -0.548 -2.269 1.00 0.00 N ATOM 566 CA ASP A 40 -7.072 0.435 -1.310 1.00 0.00 C ATOM 567 C ASP A 40 -6.545 1.660 -2.060 1.00 0.00 C ATOM 568 O ASP A 40 -5.953 1.529 -3.130 1.00 0.00 O ATOM 569 CB ASP A 40 -5.929 -0.130 -0.464 1.00 0.00 C ATOM 570 CG ASP A 40 -6.368 -0.925 0.767 1.00 0.00 C ATOM 571 OD1 ASP A 40 -7.595 -1.112 0.915 1.00 0.00 O ATOM 572 OD2 ASP A 40 -5.466 -1.329 1.533 1.00 0.00 O ATOM 0 H ASP A 40 -7.116 -1.468 -2.187 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.905 0.702 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.315 -0.774 -1.094 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.296 0.695 -0.138 1.00 0.00 H new ATOM 577 N LEU A 41 -6.779 2.822 -1.469 1.00 0.00 N ATOM 578 CA LEU A 41 -6.335 4.069 -2.068 1.00 0.00 C ATOM 579 C LEU A 41 -5.304 4.731 -1.152 1.00 0.00 C ATOM 580 O LEU A 41 -5.310 4.509 0.058 1.00 0.00 O ATOM 581 CB LEU A 41 -7.533 4.964 -2.393 1.00 0.00 C ATOM 582 CG LEU A 41 -7.252 6.154 -3.311 1.00 0.00 C ATOM 583 CD1 LEU A 41 -7.549 5.804 -4.770 1.00 0.00 C ATOM 584 CD2 LEU A 41 -8.020 7.395 -2.852 1.00 0.00 C ATOM 0 H LEU A 41 -7.270 2.926 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.841 3.879 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.306 4.349 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.943 5.342 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.190 6.391 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.341 6.668 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.920 4.969 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.598 5.525 -4.871 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.802 8.226 -3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.090 7.187 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.716 7.657 -1.838 1.00 0.00 H new ATOM 596 N VAL A 42 -4.443 5.530 -1.764 1.00 0.00 N ATOM 597 CA VAL A 42 -3.407 6.226 -1.019 1.00 0.00 C ATOM 598 C VAL A 42 -3.191 7.613 -1.627 1.00 0.00 C ATOM 599 O VAL A 42 -3.616 7.874 -2.752 1.00 0.00 O ATOM 600 CB VAL A 42 -2.131 5.383 -0.984 1.00 0.00 C ATOM 601 CG1 VAL A 42 -2.411 3.987 -0.425 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.492 5.299 -2.372 1.00 0.00 C ATOM 0 H VAL A 42 -4.441 5.711 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.714 6.370 0.017 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.423 5.875 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.487 3.409 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.801 4.073 0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.145 3.484 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.587 4.694 -2.320 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.194 4.841 -3.069 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.239 6.301 -2.717 1.00 0.00 H new ATOM 612 N GLY A 43 -2.531 8.466 -0.858 1.00 0.00 N ATOM 613 CA GLY A 43 -2.254 9.819 -1.307 1.00 0.00 C ATOM 614 C GLY A 43 -0.748 10.089 -1.336 1.00 0.00 C ATOM 615 O GLY A 43 -0.160 10.462 -0.322 1.00 0.00 O ATOM 0 H GLY A 43 -2.180 8.246 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.673 9.969 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.743 10.533 -0.644 1.00 0.00 H new ATOM 619 N VAL A 44 -0.166 9.891 -2.510 1.00 0.00 N ATOM 620 CA VAL A 44 1.260 10.109 -2.685 1.00 0.00 C ATOM 621 C VAL A 44 1.654 11.433 -2.027 1.00 0.00 C ATOM 622 O VAL A 44 0.954 12.434 -2.172 1.00 0.00 O ATOM 623 CB VAL A 44 1.620 10.048 -4.170 1.00 0.00 C ATOM 624 CG1 VAL A 44 1.077 11.269 -4.916 1.00 0.00 C ATOM 625 CG2 VAL A 44 3.132 9.916 -4.363 1.00 0.00 C ATOM 0 H VAL A 44 -0.656 9.582 -3.349 1.00 0.00 H new ATOM 0 HA VAL A 44 1.830 9.320 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 44 1.150 9.160 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.347 11.201 -5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.008 11.301 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.505 12.176 -4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.361 9.875 -5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.632 10.776 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.482 9.003 -3.881 1.00 0.00 H new ATOM 635 N ILE A 45 2.773 11.395 -1.319 1.00 0.00 N ATOM 636 CA ILE A 45 3.268 12.580 -0.639 1.00 0.00 C ATOM 637 C ILE A 45 4.545 13.063 -1.330 1.00 0.00 C ATOM 638 O ILE A 45 4.608 14.198 -1.800 1.00 0.00 O ATOM 639 CB ILE A 45 3.445 12.305 0.856 1.00 0.00 C ATOM 640 CG1 ILE A 45 2.105 12.389 1.591 1.00 0.00 C ATOM 641 CG2 ILE A 45 4.493 13.238 1.465 1.00 0.00 C ATOM 642 CD1 ILE A 45 2.205 11.769 2.986 1.00 0.00 C ATOM 0 H ILE A 45 3.351 10.563 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 45 2.542 13.390 -0.707 1.00 0.00 H new ATOM 0 HB ILE A 45 3.814 11.286 0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.796 13.431 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.337 11.874 1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.599 13.021 2.528 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.450 13.085 0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.178 14.273 1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.239 11.842 3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.490 10.721 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.957 12.302 3.568 1.00 0.00 H new ATOM 654 N LYS A 46 5.529 12.178 -1.370 1.00 0.00 N ATOM 655 CA LYS A 46 6.800 12.500 -1.996 1.00 0.00 C ATOM 656 C LYS A 46 6.886 11.802 -3.355 1.00 0.00 C ATOM 657 O LYS A 46 6.459 10.658 -3.497 1.00 0.00 O ATOM 658 CB LYS A 46 7.961 12.163 -1.057 1.00 0.00 C ATOM 659 CG LYS A 46 8.649 13.435 -0.558 1.00 0.00 C ATOM 660 CD LYS A 46 7.665 14.331 0.196 1.00 0.00 C ATOM 661 CE LYS A 46 7.869 14.220 1.708 1.00 0.00 C ATOM 662 NZ LYS A 46 7.854 15.562 2.333 1.00 0.00 N ATOM 0 H LYS A 46 5.472 11.238 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 46 6.872 13.572 -2.182 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.592 11.588 -0.208 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.684 11.535 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.480 13.171 0.096 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.069 13.981 -1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 46 7.797 15.367 -0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.643 14.049 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.084 13.601 2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.817 13.725 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.994 15.469 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.619 16.141 1.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.939 16.021 2.149 1.00 0.00 H new ATOM 676 N LYS A 47 7.442 12.521 -4.319 1.00 0.00 N ATOM 677 CA LYS A 47 7.589 11.985 -5.662 1.00 0.00 C ATOM 678 C LYS A 47 9.036 11.537 -5.871 1.00 0.00 C ATOM 679 O LYS A 47 9.487 11.390 -7.007 1.00 0.00 O ATOM 680 CB LYS A 47 7.103 12.999 -6.700 1.00 0.00 C ATOM 681 CG LYS A 47 5.597 12.867 -6.932 1.00 0.00 C ATOM 682 CD LYS A 47 5.119 13.850 -8.002 1.00 0.00 C ATOM 683 CE LYS A 47 3.597 13.803 -8.150 1.00 0.00 C ATOM 684 NZ LYS A 47 3.151 14.718 -9.225 1.00 0.00 N ATOM 0 H LYS A 47 7.796 13.470 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 47 6.960 11.104 -5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.335 14.009 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.634 12.846 -7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.360 11.848 -7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.064 13.052 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.431 14.860 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.588 13.611 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.279 12.785 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.125 14.082 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.116 14.673 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.437 15.691 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.586 14.434 -10.126 1.00 0.00 H new ATOM 698 N LYS A 48 9.726 11.331 -4.758 1.00 0.00 N ATOM 699 CA LYS A 48 11.113 10.902 -4.806 1.00 0.00 C ATOM 700 C LYS A 48 11.601 10.612 -3.385 1.00 0.00 C ATOM 701 O LYS A 48 11.275 11.344 -2.451 1.00 0.00 O ATOM 702 CB LYS A 48 11.966 11.930 -5.552 1.00 0.00 C ATOM 703 CG LYS A 48 13.457 11.629 -5.385 1.00 0.00 C ATOM 704 CD LYS A 48 14.304 12.541 -6.275 1.00 0.00 C ATOM 705 CE LYS A 48 14.831 13.741 -5.486 1.00 0.00 C ATOM 706 NZ LYS A 48 15.547 14.677 -6.382 1.00 0.00 N ATOM 0 H LYS A 48 9.350 11.453 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 48 11.206 9.975 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.706 11.924 -6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.749 12.930 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.744 11.764 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.652 10.587 -5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.140 11.977 -6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.707 12.889 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.003 14.256 -5.000 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.501 13.399 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.898 15.486 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.349 14.187 -6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.897 15.017 -7.119 1.00 0.00 H new ATOM 720 N ASP A 49 12.376 9.544 -3.266 1.00 0.00 N ATOM 721 CA ASP A 49 12.913 9.149 -1.975 1.00 0.00 C ATOM 722 C ASP A 49 14.181 9.953 -1.687 1.00 0.00 C ATOM 723 O ASP A 49 14.736 10.587 -2.584 1.00 0.00 O ATOM 724 CB ASP A 49 13.282 7.664 -1.963 1.00 0.00 C ATOM 725 CG ASP A 49 12.607 6.821 -3.047 1.00 0.00 C ATOM 726 OD1 ASP A 49 12.676 7.245 -4.221 1.00 0.00 O ATOM 727 OD2 ASP A 49 12.036 5.772 -2.678 1.00 0.00 O ATOM 0 H ASP A 49 12.645 8.940 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 49 12.149 9.337 -1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.363 7.573 -2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.025 7.249 -0.988 1.00 0.00 H new ATOM 732 N PRO A 50 14.615 9.902 -0.399 1.00 0.00 N ATOM 733 CA PRO A 50 15.808 10.618 0.019 1.00 0.00 C ATOM 734 C PRO A 50 17.073 9.910 -0.472 1.00 0.00 C ATOM 735 O PRO A 50 18.184 10.377 -0.228 1.00 0.00 O ATOM 736 CB PRO A 50 15.716 10.686 1.534 1.00 0.00 C ATOM 737 CG PRO A 50 14.723 9.610 1.940 1.00 0.00 C ATOM 738 CD PRO A 50 13.983 9.162 0.690 1.00 0.00 C ATOM 0 HA PRO A 50 15.869 11.619 -0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.689 10.512 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.381 11.670 1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.240 8.768 2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 50 14.023 9.997 2.680 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.072 8.086 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.919 9.388 0.757 1.00 0.00 H new ATOM 746 N MET A 51 16.861 8.795 -1.155 1.00 0.00 N ATOM 747 CA MET A 51 17.970 8.018 -1.682 1.00 0.00 C ATOM 748 C MET A 51 18.415 8.552 -3.045 1.00 0.00 C ATOM 749 O MET A 51 19.597 8.824 -3.253 1.00 0.00 O ATOM 750 CB MET A 51 17.547 6.554 -1.821 1.00 0.00 C ATOM 751 CG MET A 51 18.494 5.796 -2.754 1.00 0.00 C ATOM 752 SD MET A 51 18.826 4.170 -2.097 1.00 0.00 S ATOM 753 CE MET A 51 20.104 4.569 -0.916 1.00 0.00 C ATOM 0 H MET A 51 15.938 8.411 -1.356 1.00 0.00 H new ATOM 0 HA MET A 51 18.808 8.100 -0.989 1.00 0.00 H new ATOM 0 HB2 MET A 51 17.540 6.079 -0.840 1.00 0.00 H new ATOM 0 HB3 MET A 51 16.529 6.501 -2.208 1.00 0.00 H new ATOM 0 HG2 MET A 51 18.051 5.713 -3.746 1.00 0.00 H new ATOM 0 HG3 MET A 51 19.426 6.349 -2.867 1.00 0.00 H new ATOM 0 HE1 MET A 51 20.429 3.660 -0.411 1.00 0.00 H new ATOM 0 HE2 MET A 51 20.951 5.019 -1.434 1.00 0.00 H new ATOM 0 HE3 MET A 51 19.713 5.273 -0.181 1.00 0.00 H new ATOM 763 N GLY A 52 17.446 8.687 -3.938 1.00 0.00 N ATOM 764 CA GLY A 52 17.723 9.185 -5.274 1.00 0.00 C ATOM 765 C GLY A 52 17.039 8.320 -6.334 1.00 0.00 C ATOM 766 O GLY A 52 17.640 7.990 -7.355 1.00 0.00 O ATOM 0 H GLY A 52 16.467 8.460 -3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.377 10.215 -5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.799 9.195 -5.446 1.00 0.00 H new ATOM 770 N SER A 53 15.790 7.976 -6.055 1.00 0.00 N ATOM 771 CA SER A 53 15.017 7.156 -6.972 1.00 0.00 C ATOM 772 C SER A 53 13.620 7.751 -7.157 1.00 0.00 C ATOM 773 O SER A 53 12.642 7.227 -6.626 1.00 0.00 O ATOM 774 CB SER A 53 14.917 5.714 -6.471 1.00 0.00 C ATOM 775 OG SER A 53 15.566 4.797 -7.347 1.00 0.00 O ATOM 0 H SER A 53 15.294 8.250 -5.207 1.00 0.00 H new ATOM 0 HA SER A 53 15.530 7.144 -7.934 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.362 5.644 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.867 5.438 -6.370 1.00 0.00 H new ATOM 0 HG SER A 53 15.481 3.888 -6.991 1.00 0.00 H new ATOM 781 N GLN A 54 13.570 8.839 -7.912 1.00 0.00 N ATOM 782 CA GLN A 54 12.309 9.512 -8.174 1.00 0.00 C ATOM 783 C GLN A 54 11.267 8.510 -8.675 1.00 0.00 C ATOM 784 O GLN A 54 10.066 8.749 -8.560 1.00 0.00 O ATOM 785 CB GLN A 54 12.495 10.655 -9.173 1.00 0.00 C ATOM 786 CG GLN A 54 13.271 10.187 -10.405 1.00 0.00 C ATOM 787 CD GLN A 54 12.531 10.556 -11.693 1.00 0.00 C ATOM 788 OE1 GLN A 54 12.728 11.612 -12.271 1.00 0.00 O ATOM 789 NE2 GLN A 54 11.671 9.630 -12.107 1.00 0.00 N ATOM 0 H GLN A 54 14.383 9.271 -8.351 1.00 0.00 H new ATOM 0 HA GLN A 54 11.949 9.944 -7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.521 11.039 -9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.027 11.477 -8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.262 10.640 -10.408 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.414 9.107 -10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.555 8.768 -11.575 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.128 9.782 -12.957 1.00 0.00 H new ATOM 798 N ASN A 55 11.765 7.409 -9.219 1.00 0.00 N ATOM 799 CA ASN A 55 10.892 6.370 -9.738 1.00 0.00 C ATOM 800 C ASN A 55 10.001 5.847 -8.609 1.00 0.00 C ATOM 801 O ASN A 55 8.981 5.209 -8.863 1.00 0.00 O ATOM 802 CB ASN A 55 11.701 5.193 -10.286 1.00 0.00 C ATOM 803 CG ASN A 55 10.911 4.432 -11.352 1.00 0.00 C ATOM 804 OD1 ASN A 55 9.718 4.204 -11.233 1.00 0.00 O ATOM 805 ND2 ASN A 55 11.639 4.055 -12.399 1.00 0.00 N ATOM 0 H ASN A 55 12.762 7.214 -9.312 1.00 0.00 H new ATOM 0 HA ASN A 55 10.295 6.802 -10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.636 5.557 -10.712 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.964 4.518 -9.472 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.203 3.543 -13.166 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.634 4.278 -12.436 1.00 0.00 H new ATOM 812 N ARG A 56 10.420 6.138 -7.386 1.00 0.00 N ATOM 813 CA ARG A 56 9.673 5.705 -6.217 1.00 0.00 C ATOM 814 C ARG A 56 9.051 6.910 -5.508 1.00 0.00 C ATOM 815 O ARG A 56 9.741 7.885 -5.215 1.00 0.00 O ATOM 816 CB ARG A 56 10.574 4.953 -5.235 1.00 0.00 C ATOM 817 CG ARG A 56 9.745 4.254 -4.156 1.00 0.00 C ATOM 818 CD ARG A 56 10.357 2.902 -3.784 1.00 0.00 C ATOM 819 NE ARG A 56 9.521 1.804 -4.319 1.00 0.00 N ATOM 820 CZ ARG A 56 9.926 0.531 -4.418 1.00 0.00 C ATOM 821 NH1 ARG A 56 11.158 0.187 -4.018 1.00 0.00 N ATOM 822 NH2 ARG A 56 9.099 -0.399 -4.916 1.00 0.00 N ATOM 0 H ARG A 56 11.267 6.668 -7.179 1.00 0.00 H new ATOM 0 HA ARG A 56 8.885 5.033 -6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 56 11.171 4.217 -5.774 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.271 5.649 -4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.687 4.887 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.725 4.110 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.368 2.829 -4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.436 2.815 -2.700 1.00 0.00 H new ATOM 0 HE ARG A 56 8.577 2.031 -4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.787 0.894 -3.638 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.467 -0.782 -4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.161 -0.137 -5.220 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.408 -1.368 -4.991 1.00 0.00 H new ATOM 836 N TRP A 57 7.756 6.803 -5.254 1.00 0.00 N ATOM 837 CA TRP A 57 7.033 7.871 -4.585 1.00 0.00 C ATOM 838 C TRP A 57 6.551 7.342 -3.233 1.00 0.00 C ATOM 839 O TRP A 57 6.149 6.184 -3.123 1.00 0.00 O ATOM 840 CB TRP A 57 5.895 8.397 -5.462 1.00 0.00 C ATOM 841 CG TRP A 57 6.363 9.041 -6.768 1.00 0.00 C ATOM 842 CD1 TRP A 57 7.617 9.327 -7.145 1.00 0.00 C ATOM 843 CD2 TRP A 57 5.526 9.469 -7.863 1.00 0.00 C ATOM 844 NE1 TRP A 57 7.650 9.906 -8.397 1.00 0.00 N ATOM 845 CE2 TRP A 57 6.338 9.996 -8.848 1.00 0.00 C ATOM 846 CE3 TRP A 57 4.130 9.414 -8.017 1.00 0.00 C ATOM 847 CZ2 TRP A 57 5.846 10.507 -10.055 1.00 0.00 C ATOM 848 CZ3 TRP A 57 3.654 9.929 -9.229 1.00 0.00 C ATOM 849 CH2 TRP A 57 4.458 10.462 -10.230 1.00 0.00 C ATOM 0 H TRP A 57 7.188 5.992 -5.500 1.00 0.00 H new ATOM 0 HA TRP A 57 7.685 8.727 -4.411 1.00 0.00 H new ATOM 0 HB2 TRP A 57 5.220 7.574 -5.696 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.320 9.128 -4.894 1.00 0.00 H new ATOM 0 HD1 TRP A 57 8.492 9.129 -6.544 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.484 10.212 -8.899 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.476 9.007 -7.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.502 10.914 -10.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 2.587 9.911 -9.398 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.014 10.840 -11.139 1.00 0.00 H new ATOM 860 N LEU A 58 6.606 8.214 -2.237 1.00 0.00 N ATOM 861 CA LEU A 58 6.179 7.849 -0.897 1.00 0.00 C ATOM 862 C LEU A 58 4.685 8.141 -0.745 1.00 0.00 C ATOM 863 O LEU A 58 4.239 9.260 -0.992 1.00 0.00 O ATOM 864 CB LEU A 58 7.051 8.544 0.151 1.00 0.00 C ATOM 865 CG LEU A 58 6.470 8.619 1.564 1.00 0.00 C ATOM 866 CD1 LEU A 58 5.628 9.884 1.744 1.00 0.00 C ATOM 867 CD2 LEU A 58 5.680 7.352 1.900 1.00 0.00 C ATOM 0 H LEU A 58 6.940 9.173 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 58 6.314 6.780 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.008 8.025 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.256 9.559 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 58 7.297 8.680 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.227 9.913 2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.251 10.763 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.806 9.879 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.278 7.431 2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.860 7.236 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.339 6.486 1.839 1.00 0.00 H new ATOM 879 N ILE A 59 3.953 7.114 -0.339 1.00 0.00 N ATOM 880 CA ILE A 59 2.518 7.246 -0.151 1.00 0.00 C ATOM 881 C ILE A 59 2.148 6.782 1.259 1.00 0.00 C ATOM 882 O ILE A 59 2.941 6.119 1.926 1.00 0.00 O ATOM 883 CB ILE A 59 1.763 6.509 -1.259 1.00 0.00 C ATOM 884 CG1 ILE A 59 1.923 4.994 -1.118 1.00 0.00 C ATOM 885 CG2 ILE A 59 2.195 7.004 -2.641 1.00 0.00 C ATOM 886 CD1 ILE A 59 1.146 4.471 0.092 1.00 0.00 C ATOM 0 H ILE A 59 4.327 6.187 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 59 2.217 8.291 -0.232 1.00 0.00 H new ATOM 0 HB ILE A 59 0.701 6.732 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.568 4.501 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.979 4.744 -1.012 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.643 6.464 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.987 8.071 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.263 6.831 -2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.277 3.392 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.520 4.948 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.087 4.701 -0.028 1.00 0.00 H new ATOM 898 N ASP A 60 0.943 7.148 1.671 1.00 0.00 N ATOM 899 CA ASP A 60 0.458 6.778 2.989 1.00 0.00 C ATOM 900 C ASP A 60 -0.859 6.013 2.847 1.00 0.00 C ATOM 901 O ASP A 60 -1.829 6.535 2.300 1.00 0.00 O ATOM 902 CB ASP A 60 0.195 8.017 3.847 1.00 0.00 C ATOM 903 CG ASP A 60 0.374 7.811 5.353 1.00 0.00 C ATOM 904 OD1 ASP A 60 1.516 8.011 5.821 1.00 0.00 O ATOM 905 OD2 ASP A 60 -0.634 7.458 6.001 1.00 0.00 O ATOM 0 H ASP A 60 0.288 7.697 1.114 1.00 0.00 H new ATOM 0 HA ASP A 60 1.220 6.163 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.864 8.814 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.823 8.360 3.661 1.00 0.00 H new ATOM 910 N ASN A 61 -0.851 4.787 3.350 1.00 0.00 N ATOM 911 CA ASN A 61 -2.033 3.944 3.286 1.00 0.00 C ATOM 912 C ASN A 61 -2.961 4.286 4.454 1.00 0.00 C ATOM 913 O ASN A 61 -3.415 3.396 5.172 1.00 0.00 O ATOM 914 CB ASN A 61 -1.661 2.464 3.395 1.00 0.00 C ATOM 915 CG ASN A 61 -1.141 2.131 4.795 1.00 0.00 C ATOM 916 OD1 ASN A 61 -0.710 2.991 5.546 1.00 0.00 O ATOM 917 ND2 ASN A 61 -1.205 0.839 5.102 1.00 0.00 N ATOM 0 H ASN A 61 -0.045 4.357 3.804 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.523 4.122 2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.533 1.849 3.171 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.900 2.221 2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.882 0.515 6.014 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.577 0.172 4.426 1.00 0.00 H new ATOM 924 N GLY A 62 -3.216 5.577 4.608 1.00 0.00 N ATOM 925 CA GLY A 62 -4.081 6.047 5.676 1.00 0.00 C ATOM 926 C GLY A 62 -3.818 5.279 6.973 1.00 0.00 C ATOM 927 O GLY A 62 -4.710 5.142 7.810 1.00 0.00 O ATOM 0 H GLY A 62 -2.838 6.312 4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.916 7.112 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.124 5.927 5.383 1.00 0.00 H new ATOM 931 N VAL A 63 -2.591 4.797 7.099 1.00 0.00 N ATOM 932 CA VAL A 63 -2.199 4.047 8.280 1.00 0.00 C ATOM 933 C VAL A 63 -0.727 4.325 8.591 1.00 0.00 C ATOM 934 O VAL A 63 -0.371 4.591 9.738 1.00 0.00 O ATOM 935 CB VAL A 63 -2.496 2.559 8.077 1.00 0.00 C ATOM 936 CG1 VAL A 63 -1.944 1.727 9.236 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.997 2.320 7.896 1.00 0.00 C ATOM 0 H VAL A 63 -1.855 4.911 6.402 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.780 4.367 9.145 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.993 2.238 7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.168 0.674 9.067 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.864 1.862 9.299 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.405 2.051 10.169 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.181 1.255 7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.530 2.665 8.782 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.350 2.869 7.023 1.00 0.00 H new ATOM 947 N THR A 64 0.089 4.253 7.549 1.00 0.00 N ATOM 948 CA THR A 64 1.514 4.494 7.697 1.00 0.00 C ATOM 949 C THR A 64 2.095 5.065 6.402 1.00 0.00 C ATOM 950 O THR A 64 1.353 5.408 5.483 1.00 0.00 O ATOM 951 CB THR A 64 2.172 3.183 8.132 1.00 0.00 C ATOM 952 OG1 THR A 64 3.484 3.570 8.534 1.00 0.00 O ATOM 953 CG2 THR A 64 2.408 2.229 6.960 1.00 0.00 C ATOM 0 H THR A 64 -0.210 4.031 6.599 1.00 0.00 H new ATOM 0 HA THR A 64 1.711 5.244 8.463 1.00 0.00 H new ATOM 0 HB THR A 64 1.546 2.693 8.878 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.981 2.780 8.833 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.877 1.315 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.455 1.986 6.491 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.061 2.705 6.229 1.00 0.00 H new ATOM 961 N LYS A 65 3.417 5.150 6.371 1.00 0.00 N ATOM 962 CA LYS A 65 4.106 5.674 5.205 1.00 0.00 C ATOM 963 C LYS A 65 4.843 4.534 4.498 1.00 0.00 C ATOM 964 O LYS A 65 5.638 3.827 5.116 1.00 0.00 O ATOM 965 CB LYS A 65 5.013 6.842 5.597 1.00 0.00 C ATOM 966 CG LYS A 65 4.246 8.166 5.567 1.00 0.00 C ATOM 967 CD LYS A 65 5.207 9.355 5.518 1.00 0.00 C ATOM 968 CE LYS A 65 4.450 10.678 5.648 1.00 0.00 C ATOM 969 NZ LYS A 65 3.903 10.829 7.015 1.00 0.00 N ATOM 0 H LYS A 65 4.029 4.864 7.135 1.00 0.00 H new ATOM 0 HA LYS A 65 3.390 6.083 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.417 6.674 6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.861 6.893 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.588 8.190 4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.611 8.243 6.450 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.938 9.270 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.762 9.340 4.580 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.118 11.510 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.640 10.714 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.651 11.824 7.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.055 10.235 7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.618 10.534 7.710 1.00 0.00 H new ATOM 983 N GLY A 66 4.553 4.391 3.214 1.00 0.00 N ATOM 984 CA GLY A 66 5.178 3.349 2.417 1.00 0.00 C ATOM 985 C GLY A 66 5.587 3.881 1.042 1.00 0.00 C ATOM 986 O GLY A 66 4.895 4.719 0.466 1.00 0.00 O ATOM 0 H GLY A 66 3.893 4.979 2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.055 2.965 2.938 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.487 2.514 2.297 1.00 0.00 H new ATOM 990 N PHE A 67 6.709 3.372 0.555 1.00 0.00 N ATOM 991 CA PHE A 67 7.218 3.785 -0.742 1.00 0.00 C ATOM 992 C PHE A 67 6.900 2.741 -1.814 1.00 0.00 C ATOM 993 O PHE A 67 7.202 1.561 -1.645 1.00 0.00 O ATOM 994 CB PHE A 67 8.736 3.914 -0.606 1.00 0.00 C ATOM 995 CG PHE A 67 9.190 5.174 0.133 1.00 0.00 C ATOM 996 CD1 PHE A 67 8.929 5.316 1.460 1.00 0.00 C ATOM 997 CD2 PHE A 67 9.856 6.153 -0.537 1.00 0.00 C ATOM 998 CE1 PHE A 67 9.351 6.485 2.146 1.00 0.00 C ATOM 999 CE2 PHE A 67 10.277 7.323 0.149 1.00 0.00 C ATOM 1000 CZ PHE A 67 10.016 7.464 1.476 1.00 0.00 C ATOM 0 H PHE A 67 7.280 2.677 1.035 1.00 0.00 H new ATOM 0 HA PHE A 67 6.755 4.725 -1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.119 3.039 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.181 3.908 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.400 4.539 1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.065 6.040 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.144 6.597 3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.804 8.101 -0.383 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.337 8.353 1.998 1.00 0.00 H new ATOM 1010 N VAL A 68 6.294 3.213 -2.893 1.00 0.00 N ATOM 1011 CA VAL A 68 5.932 2.335 -3.993 1.00 0.00 C ATOM 1012 C VAL A 68 6.120 3.078 -5.317 1.00 0.00 C ATOM 1013 O VAL A 68 6.122 4.308 -5.348 1.00 0.00 O ATOM 1014 CB VAL A 68 4.507 1.813 -3.798 1.00 0.00 C ATOM 1015 CG1 VAL A 68 4.386 1.025 -2.491 1.00 0.00 C ATOM 1016 CG2 VAL A 68 3.492 2.957 -3.845 1.00 0.00 C ATOM 0 H VAL A 68 6.044 4.193 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 68 6.584 1.462 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 68 4.284 1.134 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.364 0.665 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.069 0.176 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.639 1.672 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.487 2.558 -3.704 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.713 3.672 -3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.551 3.457 -4.812 1.00 0.00 H new ATOM 1026 N TYR A 69 6.274 2.301 -6.378 1.00 0.00 N ATOM 1027 CA TYR A 69 6.462 2.870 -7.702 1.00 0.00 C ATOM 1028 C TYR A 69 5.120 3.241 -8.336 1.00 0.00 C ATOM 1029 O TYR A 69 4.200 2.425 -8.373 1.00 0.00 O ATOM 1030 CB TYR A 69 7.124 1.775 -8.542 1.00 0.00 C ATOM 1031 CG TYR A 69 8.480 1.313 -8.005 1.00 0.00 C ATOM 1032 CD1 TYR A 69 9.421 2.243 -7.614 1.00 0.00 C ATOM 1033 CD2 TYR A 69 8.762 -0.035 -7.911 1.00 0.00 C ATOM 1034 CE1 TYR A 69 10.697 1.808 -7.109 1.00 0.00 C ATOM 1035 CE2 TYR A 69 10.038 -0.470 -7.406 1.00 0.00 C ATOM 1036 CZ TYR A 69 10.943 0.473 -7.030 1.00 0.00 C ATOM 1037 OH TYR A 69 12.148 0.062 -6.552 1.00 0.00 O ATOM 0 H TYR A 69 6.273 1.281 -6.348 1.00 0.00 H new ATOM 0 HA TYR A 69 7.064 3.777 -7.647 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.454 0.917 -8.595 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.254 2.141 -9.560 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.200 3.298 -7.687 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.025 -0.763 -8.216 1.00 0.00 H new ATOM 0 HE1 TYR A 69 11.442 2.526 -6.800 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.271 -1.522 -7.327 1.00 0.00 H new ATOM 0 HH TYR A 69 12.183 -0.917 -6.551 1.00 0.00 H new ATOM 1047 N SER A 70 5.050 4.473 -8.818 1.00 0.00 N ATOM 1048 CA SER A 70 3.836 4.962 -9.448 1.00 0.00 C ATOM 1049 C SER A 70 3.199 3.854 -10.289 1.00 0.00 C ATOM 1050 O SER A 70 1.980 3.814 -10.450 1.00 0.00 O ATOM 1051 CB SER A 70 4.122 6.189 -10.316 1.00 0.00 C ATOM 1052 OG SER A 70 5.214 5.971 -11.205 1.00 0.00 O ATOM 0 H SER A 70 5.815 5.147 -8.785 1.00 0.00 H new ATOM 0 HA SER A 70 3.140 5.259 -8.664 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.231 6.442 -10.891 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.341 7.043 -9.675 1.00 0.00 H new ATOM 0 HG SER A 70 5.364 6.776 -11.743 1.00 0.00 H new ATOM 1058 N SER A 71 4.053 2.980 -10.802 1.00 0.00 N ATOM 1059 CA SER A 71 3.589 1.874 -11.622 1.00 0.00 C ATOM 1060 C SER A 71 2.491 1.102 -10.888 1.00 0.00 C ATOM 1061 O SER A 71 1.396 0.919 -11.417 1.00 0.00 O ATOM 1062 CB SER A 71 4.742 0.937 -11.987 1.00 0.00 C ATOM 1063 OG SER A 71 4.815 0.701 -13.391 1.00 0.00 O ATOM 0 H SER A 71 5.063 3.016 -10.666 1.00 0.00 H new ATOM 0 HA SER A 71 3.181 2.282 -12.547 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.682 1.368 -11.643 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.617 -0.012 -11.466 1.00 0.00 H new ATOM 0 HG SER A 71 5.565 0.100 -13.583 1.00 0.00 H new ATOM 1069 N PHE A 72 2.822 0.671 -9.679 1.00 0.00 N ATOM 1070 CA PHE A 72 1.878 -0.077 -8.867 1.00 0.00 C ATOM 1071 C PHE A 72 0.708 0.808 -8.432 1.00 0.00 C ATOM 1072 O PHE A 72 -0.259 0.322 -7.849 1.00 0.00 O ATOM 1073 CB PHE A 72 2.634 -0.549 -7.623 1.00 0.00 C ATOM 1074 CG PHE A 72 3.436 -1.836 -7.834 1.00 0.00 C ATOM 1075 CD1 PHE A 72 2.802 -3.039 -7.841 1.00 0.00 C ATOM 1076 CD2 PHE A 72 4.782 -1.776 -8.014 1.00 0.00 C ATOM 1077 CE1 PHE A 72 3.546 -4.232 -8.037 1.00 0.00 C ATOM 1078 CE2 PHE A 72 5.527 -2.969 -8.209 1.00 0.00 C ATOM 1079 CZ PHE A 72 4.892 -4.172 -8.217 1.00 0.00 C ATOM 0 H PHE A 72 3.731 0.826 -9.243 1.00 0.00 H new ATOM 0 HA PHE A 72 1.474 -0.912 -9.440 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.312 0.241 -7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.920 -0.706 -6.814 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.733 -3.087 -7.697 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.285 -0.820 -8.009 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.043 -5.187 -8.043 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.597 -2.921 -8.351 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.458 -5.080 -8.366 1.00 0.00 H new ATOM 1089 N LEU A 73 0.835 2.092 -8.733 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.200 3.049 -8.381 1.00 0.00 C ATOM 1091 C LEU A 73 -0.883 3.548 -9.655 1.00 0.00 C ATOM 1092 O LEU A 73 -0.350 3.389 -10.753 1.00 0.00 O ATOM 1093 CB LEU A 73 0.380 4.170 -7.514 1.00 0.00 C ATOM 1094 CG LEU A 73 0.732 3.791 -6.075 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.633 4.849 -5.434 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.531 3.538 -5.249 1.00 0.00 C ATOM 0 H LEU A 73 1.639 2.492 -9.217 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.969 2.572 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.279 4.549 -7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.338 4.990 -7.488 1.00 0.00 H new ATOM 0 HG LEU A 73 1.295 2.858 -6.096 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.868 4.555 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.556 4.937 -6.008 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.118 5.809 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.252 3.270 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.142 4.441 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.100 2.723 -5.695 1.00 0.00 H new ATOM 1108 N LYS A 74 -2.052 4.142 -9.469 1.00 0.00 N ATOM 1109 CA LYS A 74 -2.814 4.665 -10.590 1.00 0.00 C ATOM 1110 C LYS A 74 -3.445 6.001 -10.194 1.00 0.00 C ATOM 1111 O LYS A 74 -3.863 6.179 -9.051 1.00 0.00 O ATOM 1112 CB LYS A 74 -3.827 3.628 -11.080 1.00 0.00 C ATOM 1113 CG LYS A 74 -4.726 3.156 -9.936 1.00 0.00 C ATOM 1114 CD LYS A 74 -6.162 3.647 -10.130 1.00 0.00 C ATOM 1115 CE LYS A 74 -7.085 2.496 -10.535 1.00 0.00 C ATOM 1116 NZ LYS A 74 -8.042 2.940 -11.573 1.00 0.00 N ATOM 0 H LYS A 74 -2.491 4.273 -8.558 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.158 4.861 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.438 4.058 -11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.301 2.775 -11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.714 2.067 -9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.337 3.524 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.523 4.100 -9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.185 4.423 -10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.493 1.662 -10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.628 2.133 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.661 2.147 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.619 3.721 -11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.519 3.264 -12.411 1.00 0.00 H new ATOM 1130 N PRO A 75 -3.494 6.930 -11.186 1.00 0.00 N ATOM 1131 CA PRO A 75 -4.067 8.245 -10.952 1.00 0.00 C ATOM 1132 C PRO A 75 -5.594 8.175 -10.894 1.00 0.00 C ATOM 1133 O PRO A 75 -6.251 7.990 -11.918 1.00 0.00 O ATOM 1134 CB PRO A 75 -3.555 9.105 -12.096 1.00 0.00 C ATOM 1135 CG PRO A 75 -3.099 8.137 -13.175 1.00 0.00 C ATOM 1136 CD PRO A 75 -3.009 6.754 -12.552 1.00 0.00 C ATOM 0 HA PRO A 75 -3.774 8.667 -9.991 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.338 9.765 -12.469 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.732 9.740 -11.769 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.802 8.135 -14.008 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.131 8.439 -13.575 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.617 6.033 -13.098 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.985 6.380 -12.564 1.00 0.00 H new ATOM 1144 N TYR A 76 -6.116 8.326 -9.685 1.00 0.00 N ATOM 1145 CA TYR A 76 -7.554 8.283 -9.480 1.00 0.00 C ATOM 1146 C TYR A 76 -8.240 9.474 -10.152 1.00 0.00 C ATOM 1147 O TYR A 76 -7.580 10.306 -10.772 1.00 0.00 O ATOM 1148 CB TYR A 76 -7.766 8.374 -7.968 1.00 0.00 C ATOM 1149 CG TYR A 76 -9.179 8.002 -7.514 1.00 0.00 C ATOM 1150 CD1 TYR A 76 -9.647 6.716 -7.698 1.00 0.00 C ATOM 1151 CD2 TYR A 76 -9.987 8.951 -6.923 1.00 0.00 C ATOM 1152 CE1 TYR A 76 -10.977 6.366 -7.271 1.00 0.00 C ATOM 1153 CE2 TYR A 76 -11.317 8.601 -6.496 1.00 0.00 C ATOM 1154 CZ TYR A 76 -11.746 7.325 -6.691 1.00 0.00 C ATOM 1155 OH TYR A 76 -13.002 6.994 -6.288 1.00 0.00 O ATOM 0 H TYR A 76 -5.569 8.478 -8.838 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.976 7.374 -9.908 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.051 7.718 -7.471 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.546 9.390 -7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.016 5.973 -8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.622 9.957 -6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.355 5.364 -7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -11.959 9.335 -6.032 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.435 7.778 -5.890 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.556 9.517 -10.006 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.339 10.592 -10.592 1.00 0.00 C ATOM 1167 C ASN A 77 -11.674 10.706 -9.853 1.00 0.00 C ATOM 1168 O ASN A 77 -12.678 10.143 -10.287 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.637 10.316 -12.067 1.00 0.00 C ATOM 1170 CG ASN A 77 -9.755 11.176 -12.975 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -9.744 12.393 -12.900 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -9.019 10.476 -13.834 1.00 0.00 N ATOM 0 H ASN A 77 -10.100 8.825 -9.491 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.763 11.514 -10.507 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.469 9.261 -12.284 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -11.687 10.521 -12.274 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.397 10.958 -14.483 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.077 9.458 -13.843 1.00 0.00 H new ATOM 1179 N PRO A 78 -11.641 11.456 -8.719 1.00 0.00 N ATOM 1180 CA PRO A 78 -12.836 11.651 -7.916 1.00 0.00 C ATOM 1181 C PRO A 78 -13.792 12.641 -8.585 1.00 0.00 C ATOM 1182 O PRO A 78 -14.845 12.960 -8.037 1.00 0.00 O ATOM 1183 CB PRO A 78 -12.329 12.135 -6.567 1.00 0.00 C ATOM 1184 CG PRO A 78 -10.914 12.637 -6.809 1.00 0.00 C ATOM 1185 CD PRO A 78 -10.470 12.137 -8.175 1.00 0.00 C ATOM 0 HA PRO A 78 -13.420 10.738 -7.803 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.963 12.929 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.337 11.328 -5.834 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -10.884 13.726 -6.773 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -10.242 12.273 -6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -10.158 12.961 -8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -9.621 11.459 -8.092 1.00 0.00 H new ATOM 1193 N ARG A 79 -13.390 13.099 -9.762 1.00 0.00 N ATOM 1194 CA ARG A 79 -14.197 14.046 -10.512 1.00 0.00 C ATOM 1195 C ARG A 79 -15.679 13.681 -10.405 1.00 0.00 C ATOM 1196 O ARG A 79 -16.131 12.717 -11.022 1.00 0.00 O ATOM 1197 CB ARG A 79 -13.790 14.070 -11.987 1.00 0.00 C ATOM 1198 CG ARG A 79 -12.622 15.031 -12.217 1.00 0.00 C ATOM 1199 CD ARG A 79 -12.582 15.507 -13.671 1.00 0.00 C ATOM 1200 NE ARG A 79 -12.813 16.968 -13.731 1.00 0.00 N ATOM 1201 CZ ARG A 79 -13.035 17.647 -14.865 1.00 0.00 C ATOM 1202 NH1 ARG A 79 -13.057 17.002 -16.039 1.00 0.00 N ATOM 1203 NH2 ARG A 79 -13.234 18.971 -14.825 1.00 0.00 N ATOM 0 H ARG A 79 -12.516 12.832 -10.214 1.00 0.00 H new ATOM 0 HA ARG A 79 -14.031 15.035 -10.085 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.509 13.067 -12.307 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.640 14.373 -12.598 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.716 15.889 -11.552 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.684 14.535 -11.967 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.617 15.264 -14.115 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.341 14.986 -14.254 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.803 17.490 -12.855 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.905 15.994 -16.070 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -13.226 17.519 -16.902 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.217 19.463 -13.931 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.403 19.488 -15.688 1.00 0.00 H new ATOM 1217 N ARG A 80 -16.395 14.471 -9.619 1.00 0.00 N ATOM 1218 CA ARG A 80 -17.817 14.244 -9.424 1.00 0.00 C ATOM 1219 C ARG A 80 -18.624 15.419 -9.980 1.00 0.00 C ATOM 1220 O ARG A 80 -18.058 16.450 -10.340 1.00 0.00 O ATOM 1221 CB ARG A 80 -18.147 14.063 -7.941 1.00 0.00 C ATOM 1222 CG ARG A 80 -18.094 12.587 -7.543 1.00 0.00 C ATOM 1223 CD ARG A 80 -17.489 12.416 -6.148 1.00 0.00 C ATOM 1224 NE ARG A 80 -18.074 11.230 -5.484 1.00 0.00 N ATOM 1225 CZ ARG A 80 -17.880 10.918 -4.195 1.00 0.00 C ATOM 1226 NH1 ARG A 80 -17.116 11.703 -3.424 1.00 0.00 N ATOM 1227 NH2 ARG A 80 -18.451 9.822 -3.678 1.00 0.00 N ATOM 0 H ARG A 80 -16.017 15.270 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.083 13.332 -9.958 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -17.441 14.632 -7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -19.139 14.464 -7.734 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -19.099 12.166 -7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -17.502 12.032 -8.270 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.407 12.304 -6.223 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -17.677 13.307 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 80 -18.662 10.611 -6.042 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.682 12.538 -3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -16.968 11.466 -2.443 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -19.033 9.225 -4.265 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -18.303 9.584 -2.697 1.00 0.00 H new ATOM 1241 N SER A 81 -19.933 15.224 -10.032 1.00 0.00 N ATOM 1242 CA SER A 81 -20.823 16.254 -10.539 1.00 0.00 C ATOM 1243 C SER A 81 -20.723 17.507 -9.666 1.00 0.00 C ATOM 1244 O SER A 81 -20.364 18.579 -10.152 1.00 0.00 O ATOM 1245 CB SER A 81 -22.270 15.757 -10.588 1.00 0.00 C ATOM 1246 OG SER A 81 -22.942 16.188 -11.768 1.00 0.00 O ATOM 0 H SER A 81 -20.399 14.368 -9.731 1.00 0.00 H new ATOM 0 HA SER A 81 -20.517 16.500 -11.556 1.00 0.00 H new ATOM 0 HB2 SER A 81 -22.281 14.668 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 81 -22.808 16.119 -9.712 1.00 0.00 H new ATOM 0 HG SER A 81 -23.862 15.849 -11.763 1.00 0.00 H new ATOM 1252 N HIS A 82 -21.046 17.331 -8.394 1.00 0.00 N ATOM 1253 CA HIS A 82 -20.996 18.434 -7.449 1.00 0.00 C ATOM 1254 C HIS A 82 -19.651 19.154 -7.571 1.00 0.00 C ATOM 1255 O HIS A 82 -18.598 18.519 -7.540 1.00 0.00 O ATOM 1256 CB HIS A 82 -21.281 17.946 -6.028 1.00 0.00 C ATOM 1257 CG HIS A 82 -21.674 19.043 -5.068 1.00 0.00 C ATOM 1258 ND1 HIS A 82 -21.817 18.834 -3.708 1.00 0.00 N ATOM 1259 CD2 HIS A 82 -21.952 20.361 -5.287 1.00 0.00 C ATOM 1260 CE1 HIS A 82 -22.166 19.981 -3.143 1.00 0.00 C ATOM 1261 NE2 HIS A 82 -22.249 20.926 -4.123 1.00 0.00 N ATOM 0 H HIS A 82 -21.344 16.441 -7.995 1.00 0.00 H new ATOM 0 HA HIS A 82 -21.778 19.156 -7.686 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.079 17.205 -6.063 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -20.394 17.442 -5.644 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.934 20.860 -6.245 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -22.352 20.140 -2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -22.498 21.905 -3.984 1.00 0.00 H new ATOM 1269 N SER A 83 -19.730 20.469 -7.707 1.00 0.00 N ATOM 1270 CA SER A 83 -18.533 21.282 -7.833 1.00 0.00 C ATOM 1271 C SER A 83 -18.173 21.899 -6.480 1.00 0.00 C ATOM 1272 O SER A 83 -19.047 22.389 -5.766 1.00 0.00 O ATOM 1273 CB SER A 83 -18.719 22.379 -8.884 1.00 0.00 C ATOM 1274 OG SER A 83 -19.440 23.495 -8.368 1.00 0.00 O ATOM 0 H SER A 83 -20.605 20.992 -7.733 1.00 0.00 H new ATOM 0 HA SER A 83 -17.717 20.638 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 83 -17.743 22.710 -9.239 1.00 0.00 H new ATOM 0 HB3 SER A 83 -19.249 21.971 -9.744 1.00 0.00 H new ATOM 0 HG SER A 83 -19.537 24.174 -9.068 1.00 0.00 H new ATOM 1280 N ASP A 84 -16.886 21.854 -6.168 1.00 0.00 N ATOM 1281 CA ASP A 84 -16.401 22.403 -4.913 1.00 0.00 C ATOM 1282 C ASP A 84 -14.872 22.354 -4.898 1.00 0.00 C ATOM 1283 O ASP A 84 -14.278 21.302 -5.129 1.00 0.00 O ATOM 1284 CB ASP A 84 -16.912 21.589 -3.723 1.00 0.00 C ATOM 1285 CG ASP A 84 -16.480 20.121 -3.710 1.00 0.00 C ATOM 1286 OD1 ASP A 84 -15.381 19.857 -3.175 1.00 0.00 O ATOM 1287 OD2 ASP A 84 -17.259 19.296 -4.234 1.00 0.00 O ATOM 0 H ASP A 84 -16.164 21.446 -6.762 1.00 0.00 H new ATOM 0 HA ASP A 84 -16.762 23.428 -4.830 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -16.567 22.062 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -18.001 21.632 -3.714 1.00 0.00 H new ATOM 1292 N ALA A 85 -14.278 23.506 -4.623 1.00 0.00 N ATOM 1293 CA ALA A 85 -12.829 23.608 -4.575 1.00 0.00 C ATOM 1294 C ALA A 85 -12.437 24.914 -3.881 1.00 0.00 C ATOM 1295 O ALA A 85 -13.233 25.849 -3.815 1.00 0.00 O ATOM 1296 CB ALA A 85 -12.262 23.508 -5.992 1.00 0.00 C ATOM 0 H ALA A 85 -14.774 24.377 -4.431 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.406 22.787 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -11.175 23.585 -5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -12.544 22.550 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.662 24.318 -6.602 1.00 0.00 H new ATOM 1302 N SER A 86 -11.210 24.936 -3.381 1.00 0.00 N ATOM 1303 CA SER A 86 -10.703 26.112 -2.694 1.00 0.00 C ATOM 1304 C SER A 86 -9.233 25.908 -2.323 1.00 0.00 C ATOM 1305 O SER A 86 -8.785 24.776 -2.146 1.00 0.00 O ATOM 1306 CB SER A 86 -11.529 26.418 -1.443 1.00 0.00 C ATOM 1307 OG SER A 86 -12.015 27.758 -1.440 1.00 0.00 O ATOM 0 H SER A 86 -10.552 24.158 -3.438 1.00 0.00 H new ATOM 0 HA SER A 86 -10.786 26.964 -3.368 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.370 25.727 -1.386 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.918 26.252 -0.555 1.00 0.00 H new ATOM 0 HG SER A 86 -12.539 27.914 -0.627 1.00 0.00 H new ATOM 1313 N SER A 87 -8.523 27.021 -2.216 1.00 0.00 N ATOM 1314 CA SER A 87 -7.112 26.978 -1.869 1.00 0.00 C ATOM 1315 C SER A 87 -6.748 28.190 -1.009 1.00 0.00 C ATOM 1316 O SER A 87 -7.415 29.221 -1.069 1.00 0.00 O ATOM 1317 CB SER A 87 -6.238 26.936 -3.124 1.00 0.00 C ATOM 1318 OG SER A 87 -6.587 27.958 -4.053 1.00 0.00 O ATOM 0 H SER A 87 -8.898 27.958 -2.363 1.00 0.00 H new ATOM 0 HA SER A 87 -6.927 26.067 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.191 27.046 -2.840 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.338 25.962 -3.603 1.00 0.00 H new ATOM 0 HG SER A 87 -6.005 27.898 -4.839 1.00 0.00 H new ATOM 1324 N GLY A 88 -5.690 28.025 -0.229 1.00 0.00 N ATOM 1325 CA GLY A 88 -5.230 29.092 0.643 1.00 0.00 C ATOM 1326 C GLY A 88 -3.733 28.958 0.930 1.00 0.00 C ATOM 1327 O GLY A 88 -3.330 28.181 1.794 1.00 0.00 O ATOM 0 H GLY A 88 -5.138 27.168 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.430 30.058 0.179 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.787 29.067 1.579 1.00 0.00 H new ATOM 1331 N PRO A 89 -2.929 29.748 0.168 1.00 0.00 N ATOM 1332 CA PRO A 89 -1.485 29.725 0.332 1.00 0.00 C ATOM 1333 C PRO A 89 -1.066 30.465 1.604 1.00 0.00 C ATOM 1334 O PRO A 89 -1.909 30.998 2.323 1.00 0.00 O ATOM 1335 CB PRO A 89 -0.936 30.362 -0.934 1.00 0.00 C ATOM 1336 CG PRO A 89 -2.092 31.135 -1.547 1.00 0.00 C ATOM 1337 CD PRO A 89 -3.371 30.680 -0.864 1.00 0.00 C ATOM 0 HA PRO A 89 -1.091 28.716 0.458 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.100 31.024 -0.707 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.564 29.604 -1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.948 32.207 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.147 30.953 -2.620 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.910 31.523 -0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.047 30.197 -1.570 1.00 0.00 H new ATOM 1345 N SER A 90 0.238 30.474 1.842 1.00 0.00 N ATOM 1346 CA SER A 90 0.779 31.139 3.015 1.00 0.00 C ATOM 1347 C SER A 90 1.891 32.106 2.602 1.00 0.00 C ATOM 1348 O SER A 90 2.532 31.915 1.569 1.00 0.00 O ATOM 1349 CB SER A 90 1.309 30.124 4.029 1.00 0.00 C ATOM 1350 OG SER A 90 0.950 30.466 5.365 1.00 0.00 O ATOM 0 H SER A 90 0.935 30.032 1.243 1.00 0.00 H new ATOM 0 HA SER A 90 -0.025 31.701 3.490 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.918 29.135 3.790 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.394 30.065 3.949 1.00 0.00 H new ATOM 0 HG SER A 90 1.306 29.793 5.982 1.00 0.00 H new ATOM 1356 N SER A 91 2.086 33.122 3.429 1.00 0.00 N ATOM 1357 CA SER A 91 3.109 34.118 3.162 1.00 0.00 C ATOM 1358 C SER A 91 3.773 34.550 4.471 1.00 0.00 C ATOM 1359 O SER A 91 3.296 34.213 5.554 1.00 0.00 O ATOM 1360 CB SER A 91 2.521 35.332 2.439 1.00 0.00 C ATOM 1361 OG SER A 91 2.739 35.272 1.032 1.00 0.00 O ATOM 0 H SER A 91 1.553 33.277 4.285 1.00 0.00 H new ATOM 0 HA SER A 91 3.860 33.670 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.451 35.389 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.968 36.243 2.837 1.00 0.00 H new ATOM 0 HG SER A 91 2.348 36.063 0.606 1.00 0.00 H new ATOM 1367 N GLY A 92 4.863 35.290 4.329 1.00 0.00 N ATOM 1368 CA GLY A 92 5.597 35.772 5.487 1.00 0.00 C ATOM 1369 C GLY A 92 6.934 36.389 5.071 1.00 0.00 C ATOM 1370 O GLY A 92 7.022 37.595 4.846 1.00 0.00 O ATOM 0 H GLY A 92 5.256 35.568 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.000 36.513 6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.772 34.949 6.180 1.00 0.00 H new TER 1374 GLY A 92