USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 953 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 25 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 117 TYR OH : rot -81:sc= 0.855 USER MOD Set 1.3: A 121 CYS SG : rot -38:sc= 0.752 USER MOD Set 2.1: A 26 ASN : amide:sc= -0.113 X(o=-1,f=-1) USER MOD Set 2.2: A 29 GLN : amide:sc= -0.919 K(o=-1,f=-1.7) USER MOD Set 3.1: A 10 HIS : no HD1:sc= -0.501 K(o=-0.76,f=0.11) USER MOD Set 3.2: A 27 HIS : no HD1:sc= -0.256 K(o=-0.76,f=0.11) USER MOD Set 4.1: A 7 THR OG1 : rot 150:sc= 1.05 USER MOD Set 4.2: A 9 THR OG1 : rot 117:sc= 2.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.00206 (180deg=-0.328) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -175:sc= -0.0114 (180deg=-0.0783) USER MOD Single : A 4 LYS NZ :NH3+ -107:sc= -0.626 (180deg=-2.5!) USER MOD Single : A 5 LYS NZ :NH3+ -105:sc= 1.19 (180deg=-0.356) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 122:sc= 0.431 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.367 K(o=0.37,f=-0.19) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.28) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.012 USER MOD Single : A 60 LYS NZ :NH3+ -106:sc= -0.308 (180deg=-1.37!) USER MOD Single : A 66 TYR OH : rot -34:sc= 0.719 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0852 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0684 K(o=-0.068,f=-2.1!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -11:sc= 0.0196 USER MOD Single : A 88 ASN : amide:sc= 0.722 K(o=0.72,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= 0.644 (180deg=0.548) USER MOD Single : A 99 LYS NZ :NH3+ 169:sc= 0.099 (180deg=0.0788) USER MOD Single : A 100 MET CE :methyl -172:sc= -0.808 (180deg=-1.24) USER MOD Single : A 103 SER OG : rot 77:sc= 1.26 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 118 GLN : amide:sc= -0.292 K(o=-0.29,f=-3!) USER MOD Single : A 123 GLN : amide:sc= -0.0103 X(o=-0.01,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.634 -0.313 -7.508 1.00 0.00 N ATOM 2 CA MET A 1 15.805 0.200 -8.616 1.00 0.00 C ATOM 3 C MET A 1 14.673 -0.781 -8.902 1.00 0.00 C ATOM 4 O MET A 1 14.820 -1.964 -8.610 1.00 0.00 O ATOM 5 CB MET A 1 16.643 0.398 -9.888 1.00 0.00 C ATOM 6 CG MET A 1 17.747 1.447 -9.733 1.00 0.00 C ATOM 7 SD MET A 1 18.910 1.451 -11.123 1.00 0.00 S ATOM 8 CE MET A 1 19.985 2.792 -10.567 1.00 0.00 C ATOM 0 H1 MET A 1 16.721 0.417 -6.772 1.00 0.00 H new ATOM 0 H2 MET A 1 16.187 -1.161 -7.104 1.00 0.00 H new ATOM 0 H3 MET A 1 17.579 -0.558 -7.866 1.00 0.00 H new ATOM 0 HA MET A 1 15.396 1.166 -8.319 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.094 -0.554 -10.169 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.985 0.692 -10.705 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.294 2.434 -9.641 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.293 1.260 -8.808 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.777 2.951 -11.299 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.401 3.706 -10.460 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.427 2.529 -9.606 1.00 0.00 H new ATOM 18 N LYS A 2 13.581 -0.306 -9.523 1.00 0.00 N ATOM 19 CA LYS A 2 12.476 -1.074 -10.119 1.00 0.00 C ATOM 20 C LYS A 2 12.224 -2.401 -9.393 1.00 0.00 C ATOM 21 O LYS A 2 12.647 -3.459 -9.865 1.00 0.00 O ATOM 22 CB LYS A 2 12.748 -1.254 -11.627 1.00 0.00 C ATOM 23 CG LYS A 2 11.516 -1.800 -12.368 1.00 0.00 C ATOM 24 CD LYS A 2 11.864 -2.334 -13.762 1.00 0.00 C ATOM 25 CE LYS A 2 10.665 -3.049 -14.392 1.00 0.00 C ATOM 26 NZ LYS A 2 9.661 -2.118 -14.947 1.00 0.00 N ATOM 0 H LYS A 2 13.437 0.698 -9.629 1.00 0.00 H new ATOM 0 HA LYS A 2 11.548 -0.514 -9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.039 -0.297 -12.061 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.587 -1.935 -11.766 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.064 -2.598 -11.778 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.771 -1.010 -12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.178 -1.510 -14.403 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.706 -3.022 -13.692 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.018 -3.708 -15.185 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.190 -3.680 -13.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.875 -2.660 -15.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.299 -1.505 -14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.101 -1.532 -15.685 1.00 0.00 H new ATOM 40 N MET A 3 11.572 -2.372 -8.234 1.00 0.00 N ATOM 41 CA MET A 3 11.379 -3.531 -7.377 1.00 0.00 C ATOM 42 C MET A 3 9.986 -3.437 -6.758 1.00 0.00 C ATOM 43 O MET A 3 9.485 -2.339 -6.519 1.00 0.00 O ATOM 44 CB MET A 3 12.495 -3.526 -6.317 1.00 0.00 C ATOM 45 CG MET A 3 12.437 -4.746 -5.401 1.00 0.00 C ATOM 46 SD MET A 3 13.570 -4.755 -3.989 1.00 0.00 S ATOM 47 CE MET A 3 15.167 -4.407 -4.777 1.00 0.00 C ATOM 0 H MET A 3 11.155 -1.520 -7.859 1.00 0.00 H new ATOM 0 HA MET A 3 11.438 -4.470 -7.927 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.464 -3.495 -6.815 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.417 -2.620 -5.716 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.419 -4.839 -5.022 1.00 0.00 H new ATOM 0 HG3 MET A 3 12.635 -5.633 -6.002 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.962 -4.473 -4.034 1.00 0.00 H new ATOM 0 HE2 MET A 3 15.349 -5.135 -5.568 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.151 -3.404 -5.204 1.00 0.00 H new ATOM 57 N LYS A 4 9.358 -4.570 -6.453 1.00 0.00 N ATOM 58 CA LYS A 4 8.078 -4.635 -5.765 1.00 0.00 C ATOM 59 C LYS A 4 8.145 -5.758 -4.746 1.00 0.00 C ATOM 60 O LYS A 4 8.242 -6.926 -5.124 1.00 0.00 O ATOM 61 CB LYS A 4 6.936 -4.721 -6.798 1.00 0.00 C ATOM 62 CG LYS A 4 5.576 -5.278 -6.323 1.00 0.00 C ATOM 63 CD LYS A 4 5.297 -6.773 -6.529 1.00 0.00 C ATOM 64 CE LYS A 4 5.369 -7.287 -7.974 1.00 0.00 C ATOM 65 NZ LYS A 4 6.747 -7.600 -8.412 1.00 0.00 N ATOM 0 H LYS A 4 9.737 -5.488 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 4 7.857 -3.731 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.768 -3.720 -7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.280 -5.339 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.481 -5.064 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.790 -4.719 -6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.009 -7.340 -5.929 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.304 -6.993 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.753 -8.182 -8.066 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.944 -6.537 -8.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.073 -6.872 -9.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.378 -7.619 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.760 -8.529 -8.879 1.00 0.00 H new ATOM 79 N LYS A 5 8.154 -5.397 -3.461 1.00 0.00 N ATOM 80 CA LYS A 5 8.055 -6.330 -2.340 1.00 0.00 C ATOM 81 C LYS A 5 6.718 -6.149 -1.629 1.00 0.00 C ATOM 82 O LYS A 5 5.901 -5.339 -2.071 1.00 0.00 O ATOM 83 CB LYS A 5 9.303 -6.233 -1.434 1.00 0.00 C ATOM 84 CG LYS A 5 10.449 -7.020 -2.096 1.00 0.00 C ATOM 85 CD LYS A 5 11.602 -7.381 -1.155 1.00 0.00 C ATOM 86 CE LYS A 5 12.506 -8.401 -1.858 1.00 0.00 C ATOM 87 NZ LYS A 5 13.525 -8.999 -0.969 1.00 0.00 N ATOM 0 H LYS A 5 8.232 -4.424 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 5 8.057 -7.359 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.590 -5.191 -1.295 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.086 -6.639 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.043 -7.938 -2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.844 -6.433 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.171 -6.489 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.215 -7.796 -0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.888 -9.196 -2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.006 -7.914 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.456 -8.586 -1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.278 -8.805 0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.559 -10.027 -1.122 1.00 0.00 H new ATOM 101 N TYR A 6 6.477 -6.933 -0.577 1.00 0.00 N ATOM 102 CA TYR A 6 5.182 -7.034 0.086 1.00 0.00 C ATOM 103 C TYR A 6 5.365 -7.125 1.595 1.00 0.00 C ATOM 104 O TYR A 6 6.426 -7.538 2.066 1.00 0.00 O ATOM 105 CB TYR A 6 4.484 -8.323 -0.373 1.00 0.00 C ATOM 106 CG TYR A 6 4.444 -8.589 -1.864 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.483 -9.318 -2.480 1.00 0.00 C ATOM 108 CD2 TYR A 6 3.336 -8.166 -2.618 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.389 -9.670 -3.836 1.00 0.00 C ATOM 110 CE2 TYR A 6 3.231 -8.522 -3.971 1.00 0.00 C ATOM 111 CZ TYR A 6 4.240 -9.307 -4.578 1.00 0.00 C ATOM 112 OH TYR A 6 4.109 -9.721 -5.871 1.00 0.00 O ATOM 0 H TYR A 6 7.192 -7.526 -0.156 1.00 0.00 H new ATOM 0 HA TYR A 6 4.593 -6.152 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.979 -9.166 0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.458 -8.303 -0.005 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.352 -9.606 -1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.565 -7.567 -2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.191 -10.216 -4.311 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.379 -8.197 -4.550 1.00 0.00 H new ATOM 0 HH TYR A 6 3.263 -9.387 -6.237 1.00 0.00 H new ATOM 122 N THR A 7 4.297 -6.886 2.353 1.00 0.00 N ATOM 123 CA THR A 7 4.237 -7.152 3.779 1.00 0.00 C ATOM 124 C THR A 7 3.218 -8.241 4.079 1.00 0.00 C ATOM 125 O THR A 7 2.498 -8.754 3.222 1.00 0.00 O ATOM 126 CB THR A 7 3.837 -5.885 4.556 1.00 0.00 C ATOM 127 OG1 THR A 7 2.673 -5.353 3.961 1.00 0.00 O ATOM 128 CG2 THR A 7 4.895 -4.789 4.534 1.00 0.00 C ATOM 0 H THR A 7 3.433 -6.493 1.980 1.00 0.00 H new ATOM 0 HA THR A 7 5.229 -7.477 4.092 1.00 0.00 H new ATOM 0 HB THR A 7 3.694 -6.186 5.594 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.140 -4.890 4.641 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.540 -3.929 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.816 -5.164 4.980 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.087 -4.489 3.504 1.00 0.00 H new ATOM 136 N LYS A 8 3.114 -8.526 5.367 1.00 0.00 N ATOM 137 CA LYS A 8 2.007 -9.199 6.030 1.00 0.00 C ATOM 138 C LYS A 8 0.676 -8.457 5.987 1.00 0.00 C ATOM 139 O LYS A 8 -0.366 -9.095 6.118 1.00 0.00 O ATOM 140 CB LYS A 8 2.385 -9.511 7.480 1.00 0.00 C ATOM 141 CG LYS A 8 3.304 -8.530 8.179 1.00 0.00 C ATOM 142 CD LYS A 8 3.632 -8.942 9.618 1.00 0.00 C ATOM 143 CE LYS A 8 4.470 -10.232 9.629 1.00 0.00 C ATOM 144 NZ LYS A 8 4.979 -10.567 10.971 1.00 0.00 N ATOM 0 H LYS A 8 3.853 -8.276 6.024 1.00 0.00 H new ATOM 0 HA LYS A 8 1.842 -10.114 5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.466 -9.586 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.858 -10.493 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.231 -8.440 7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.838 -7.545 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.179 -8.142 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.710 -9.095 10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.863 -11.058 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.310 -10.121 8.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.536 -11.444 10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.581 -9.793 11.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.179 -10.701 11.622 1.00 0.00 H new ATOM 158 N THR A 9 0.662 -7.140 5.835 1.00 0.00 N ATOM 159 CA THR A 9 -0.547 -6.326 5.965 1.00 0.00 C ATOM 160 C THR A 9 -1.355 -6.295 4.655 1.00 0.00 C ATOM 161 O THR A 9 -2.153 -5.390 4.448 1.00 0.00 O ATOM 162 CB THR A 9 -0.156 -4.947 6.538 1.00 0.00 C ATOM 163 OG1 THR A 9 0.898 -4.369 5.791 1.00 0.00 O ATOM 164 CG2 THR A 9 0.349 -5.119 7.978 1.00 0.00 C ATOM 0 H THR A 9 1.497 -6.597 5.615 1.00 0.00 H new ATOM 0 HA THR A 9 -1.241 -6.773 6.677 1.00 0.00 H new ATOM 0 HB THR A 9 -1.037 -4.306 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.587 -3.537 5.376 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.626 -4.147 8.385 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.439 -5.558 8.590 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.219 -5.775 7.982 1.00 0.00 H new ATOM 172 N HIS A 10 -1.196 -7.312 3.790 1.00 0.00 N ATOM 173 CA HIS A 10 -1.881 -7.446 2.506 1.00 0.00 C ATOM 174 C HIS A 10 -1.684 -6.177 1.688 1.00 0.00 C ATOM 175 O HIS A 10 -2.617 -5.505 1.254 1.00 0.00 O ATOM 176 CB HIS A 10 -3.339 -7.881 2.688 1.00 0.00 C ATOM 177 CG HIS A 10 -3.453 -9.028 3.648 1.00 0.00 C ATOM 178 ND1 HIS A 10 -3.016 -10.312 3.402 1.00 0.00 N ATOM 179 CD2 HIS A 10 -3.931 -8.969 4.926 1.00 0.00 C ATOM 180 CE1 HIS A 10 -3.231 -11.023 4.517 1.00 0.00 C ATOM 181 NE2 HIS A 10 -3.810 -10.242 5.451 1.00 0.00 N ATOM 0 H HIS A 10 -0.562 -8.088 3.979 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.436 -8.254 1.926 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.928 -7.040 3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.757 -8.169 1.724 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.326 -8.098 5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.979 -12.065 4.648 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.106 -10.538 6.381 1.00 0.00 H new ATOM 190 N GLU A 11 -0.413 -5.861 1.493 1.00 0.00 N ATOM 191 CA GLU A 11 0.097 -4.621 0.981 1.00 0.00 C ATOM 192 C GLU A 11 1.263 -4.935 0.038 1.00 0.00 C ATOM 193 O GLU A 11 1.971 -5.936 0.233 1.00 0.00 O ATOM 194 CB GLU A 11 0.503 -3.795 2.212 1.00 0.00 C ATOM 195 CG GLU A 11 -0.492 -2.676 2.525 1.00 0.00 C ATOM 196 CD GLU A 11 0.045 -1.761 3.617 1.00 0.00 C ATOM 197 OE1 GLU A 11 -0.055 -2.165 4.799 1.00 0.00 O ATOM 198 OE2 GLU A 11 0.607 -0.697 3.246 1.00 0.00 O ATOM 0 H GLU A 11 0.335 -6.520 1.708 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.624 -4.049 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.586 -4.454 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.490 -3.363 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.689 -2.096 1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.442 -3.107 2.841 1.00 0.00 H new ATOM 205 N TRP A 12 1.449 -4.091 -0.982 1.00 0.00 N ATOM 206 CA TRP A 12 2.555 -4.130 -1.940 1.00 0.00 C ATOM 207 C TRP A 12 3.239 -2.767 -2.041 1.00 0.00 C ATOM 208 O TRP A 12 2.618 -1.721 -1.844 1.00 0.00 O ATOM 209 CB TRP A 12 2.065 -4.561 -3.331 1.00 0.00 C ATOM 210 CG TRP A 12 0.967 -3.735 -3.945 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.343 -4.050 -3.892 1.00 0.00 C ATOM 212 CD2 TRP A 12 1.031 -2.487 -4.714 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.085 -3.098 -4.549 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.292 -2.137 -5.115 1.00 0.00 C ATOM 215 CE3 TRP A 12 2.056 -1.618 -5.145 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.585 -1.034 -5.928 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.762 -0.484 -5.928 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.456 -0.200 -6.343 1.00 0.00 C ATOM 0 H TRP A 12 0.801 -3.326 -1.170 1.00 0.00 H new ATOM 0 HA TRP A 12 3.275 -4.863 -1.576 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.918 -4.553 -4.010 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.719 -5.593 -3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.750 -4.923 -3.404 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.103 -3.107 -4.608 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.080 -1.825 -4.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.602 -0.831 -6.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.563 0.181 -6.214 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.256 0.652 -6.975 1.00 0.00 H new ATOM 229 N VAL A 13 4.516 -2.802 -2.413 1.00 0.00 N ATOM 230 CA VAL A 13 5.407 -1.666 -2.612 1.00 0.00 C ATOM 231 C VAL A 13 5.786 -1.665 -4.097 1.00 0.00 C ATOM 232 O VAL A 13 5.867 -2.728 -4.695 1.00 0.00 O ATOM 233 CB VAL A 13 6.682 -1.877 -1.752 1.00 0.00 C ATOM 234 CG1 VAL A 13 7.422 -0.562 -1.556 1.00 0.00 C ATOM 235 CG2 VAL A 13 6.456 -2.483 -0.363 1.00 0.00 C ATOM 0 H VAL A 13 4.987 -3.688 -2.596 1.00 0.00 H new ATOM 0 HA VAL A 13 4.937 -0.725 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 13 7.259 -2.600 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.312 -0.732 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.714 -0.161 -2.526 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.770 0.150 -1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.413 -2.586 0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.802 -1.831 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.992 -3.464 -0.465 1.00 0.00 H new ATOM 245 N SER A 14 6.083 -0.514 -4.688 1.00 0.00 N ATOM 246 CA SER A 14 6.428 -0.354 -6.099 1.00 0.00 C ATOM 247 C SER A 14 7.531 0.685 -6.219 1.00 0.00 C ATOM 248 O SER A 14 7.297 1.833 -6.586 1.00 0.00 O ATOM 249 CB SER A 14 5.174 0.083 -6.842 1.00 0.00 C ATOM 250 OG SER A 14 4.597 -0.996 -7.547 1.00 0.00 O ATOM 0 H SER A 14 6.091 0.370 -4.179 1.00 0.00 H new ATOM 0 HA SER A 14 6.790 -1.287 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.450 0.487 -6.134 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.421 0.885 -7.538 1.00 0.00 H new ATOM 0 HG SER A 14 3.677 -1.133 -7.239 1.00 0.00 H new ATOM 256 N ILE A 15 8.720 0.282 -5.801 1.00 0.00 N ATOM 257 CA ILE A 15 9.953 1.041 -5.814 1.00 0.00 C ATOM 258 C ILE A 15 10.369 1.167 -7.284 1.00 0.00 C ATOM 259 O ILE A 15 10.342 0.175 -8.016 1.00 0.00 O ATOM 260 CB ILE A 15 10.982 0.259 -4.965 1.00 0.00 C ATOM 261 CG1 ILE A 15 10.467 -0.152 -3.566 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.278 1.042 -4.770 1.00 0.00 C ATOM 263 CD1 ILE A 15 9.970 -1.601 -3.493 1.00 0.00 C ATOM 0 H ILE A 15 8.855 -0.653 -5.416 1.00 0.00 H new ATOM 0 HA ILE A 15 9.863 2.041 -5.391 1.00 0.00 H new ATOM 0 HB ILE A 15 11.162 -0.646 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.268 -0.015 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.656 0.516 -3.277 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.971 0.454 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.727 1.250 -5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.062 1.982 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.625 -1.817 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.147 -1.739 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.784 -2.278 -3.750 1.00 0.00 H new ATOM 275 N GLU A 16 10.761 2.355 -7.742 1.00 0.00 N ATOM 276 CA GLU A 16 11.149 2.576 -9.136 1.00 0.00 C ATOM 277 C GLU A 16 12.539 3.201 -9.224 1.00 0.00 C ATOM 278 O GLU A 16 13.455 2.542 -9.731 1.00 0.00 O ATOM 279 CB GLU A 16 10.051 3.289 -9.940 1.00 0.00 C ATOM 280 CG GLU A 16 9.455 4.551 -9.305 1.00 0.00 C ATOM 281 CD GLU A 16 8.448 5.220 -10.237 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.580 4.520 -10.809 1.00 0.00 O ATOM 283 OE2 GLU A 16 8.483 6.468 -10.361 1.00 0.00 O ATOM 0 H GLU A 16 10.819 3.190 -7.159 1.00 0.00 H new ATOM 0 HA GLU A 16 11.242 1.610 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.460 3.557 -10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.242 2.580 -10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.967 4.292 -8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.254 5.253 -9.066 1.00 0.00 H new ATOM 290 N ASP A 17 12.731 4.399 -8.668 1.00 0.00 N ATOM 291 CA ASP A 17 14.040 5.046 -8.535 1.00 0.00 C ATOM 292 C ASP A 17 14.234 5.359 -7.057 1.00 0.00 C ATOM 293 O ASP A 17 14.818 4.547 -6.337 1.00 0.00 O ATOM 294 CB ASP A 17 14.192 6.276 -9.469 1.00 0.00 C ATOM 295 CG ASP A 17 15.504 6.297 -10.279 1.00 0.00 C ATOM 296 OD1 ASP A 17 16.305 5.337 -10.217 1.00 0.00 O ATOM 297 OD2 ASP A 17 15.754 7.273 -11.029 1.00 0.00 O ATOM 0 H ASP A 17 11.966 4.958 -8.290 1.00 0.00 H new ATOM 0 HA ASP A 17 14.837 4.381 -8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.350 6.298 -10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.135 7.184 -8.868 1.00 0.00 H new ATOM 302 N LYS A 18 13.580 6.405 -6.542 1.00 0.00 N ATOM 303 CA LYS A 18 13.679 6.859 -5.147 1.00 0.00 C ATOM 304 C LYS A 18 12.311 6.989 -4.471 1.00 0.00 C ATOM 305 O LYS A 18 12.239 7.419 -3.323 1.00 0.00 O ATOM 306 CB LYS A 18 14.415 8.204 -5.082 1.00 0.00 C ATOM 307 CG LYS A 18 15.782 8.182 -5.787 1.00 0.00 C ATOM 308 CD LYS A 18 16.420 9.574 -5.872 1.00 0.00 C ATOM 309 CE LYS A 18 17.835 9.580 -5.295 1.00 0.00 C ATOM 310 NZ LYS A 18 17.850 9.756 -3.828 1.00 0.00 N ATOM 0 H LYS A 18 12.947 6.978 -7.100 1.00 0.00 H new ATOM 0 HA LYS A 18 14.240 6.098 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.792 8.974 -5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.556 8.483 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.453 7.510 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.662 7.778 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.449 9.899 -6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 18 15.803 10.291 -5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 18 18.331 8.644 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 18 18.409 10.382 -5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.833 9.753 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 17.402 10.662 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.326 8.978 -3.380 1.00 0.00 H new ATOM 324 N VAL A 19 11.228 6.609 -5.144 1.00 0.00 N ATOM 325 CA VAL A 19 9.873 6.645 -4.609 1.00 0.00 C ATOM 326 C VAL A 19 9.281 5.255 -4.821 1.00 0.00 C ATOM 327 O VAL A 19 9.431 4.680 -5.899 1.00 0.00 O ATOM 328 CB VAL A 19 9.063 7.757 -5.307 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.586 7.773 -4.885 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.628 9.152 -4.993 1.00 0.00 C ATOM 0 H VAL A 19 11.271 6.259 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 19 9.854 6.884 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 19 9.142 7.532 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.067 8.576 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.125 6.818 -5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.517 7.937 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.032 9.909 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.593 9.325 -3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.661 9.212 -5.337 1.00 0.00 H new ATOM 340 N ALA A 20 8.605 4.714 -3.804 1.00 0.00 N ATOM 341 CA ALA A 20 7.709 3.588 -3.984 1.00 0.00 C ATOM 342 C ALA A 20 6.286 4.112 -4.086 1.00 0.00 C ATOM 343 O ALA A 20 5.899 5.006 -3.329 1.00 0.00 O ATOM 344 CB ALA A 20 7.801 2.596 -2.829 1.00 0.00 C ATOM 0 H ALA A 20 8.668 5.047 -2.842 1.00 0.00 H new ATOM 0 HA ALA A 20 7.997 3.062 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.114 1.769 -3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.819 2.213 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.536 3.096 -1.898 1.00 0.00 H new ATOM 350 N THR A 21 5.479 3.498 -4.947 1.00 0.00 N ATOM 351 CA THR A 21 4.041 3.473 -4.715 1.00 0.00 C ATOM 352 C THR A 21 3.762 2.444 -3.608 1.00 0.00 C ATOM 353 O THR A 21 4.466 1.438 -3.502 1.00 0.00 O ATOM 354 CB THR A 21 3.300 3.157 -6.027 1.00 0.00 C ATOM 355 OG1 THR A 21 3.671 4.039 -7.070 1.00 0.00 O ATOM 356 CG2 THR A 21 1.783 3.253 -5.892 1.00 0.00 C ATOM 0 H THR A 21 5.789 3.021 -5.794 1.00 0.00 H new ATOM 0 HA THR A 21 3.674 4.445 -4.385 1.00 0.00 H new ATOM 0 HB THR A 21 3.588 2.132 -6.261 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.181 3.805 -7.886 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.317 3.019 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.439 2.544 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.508 4.264 -5.592 1.00 0.00 H new ATOM 364 N VAL A 22 2.738 2.699 -2.803 1.00 0.00 N ATOM 365 CA VAL A 22 2.130 1.844 -1.798 1.00 0.00 C ATOM 366 C VAL A 22 0.678 1.591 -2.235 1.00 0.00 C ATOM 367 O VAL A 22 -0.065 2.538 -2.520 1.00 0.00 O ATOM 368 CB VAL A 22 2.196 2.588 -0.446 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.544 1.825 0.709 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.650 2.878 -0.036 1.00 0.00 C ATOM 0 H VAL A 22 2.267 3.603 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 22 2.641 0.887 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 22 1.641 3.511 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.629 2.409 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.491 1.655 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.046 0.867 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.661 3.402 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.195 1.939 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.125 3.498 -0.796 1.00 0.00 H new ATOM 380 N GLY A 23 0.256 0.328 -2.247 1.00 0.00 N ATOM 381 CA GLY A 23 -1.144 -0.060 -2.379 1.00 0.00 C ATOM 382 C GLY A 23 -1.412 -1.332 -1.577 1.00 0.00 C ATOM 383 O GLY A 23 -0.479 -1.942 -1.037 1.00 0.00 O ATOM 0 H GLY A 23 0.890 -0.467 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.788 0.745 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.387 -0.224 -3.429 1.00 0.00 H new ATOM 387 N ILE A 24 -2.681 -1.731 -1.475 1.00 0.00 N ATOM 388 CA ILE A 24 -3.080 -2.994 -0.855 1.00 0.00 C ATOM 389 C ILE A 24 -3.157 -4.092 -1.916 1.00 0.00 C ATOM 390 O ILE A 24 -3.366 -3.814 -3.091 1.00 0.00 O ATOM 391 CB ILE A 24 -4.393 -2.865 -0.064 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.514 -2.159 -0.845 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.120 -2.139 1.262 1.00 0.00 C ATOM 394 CD1 ILE A 24 -6.893 -2.396 -0.226 1.00 0.00 C ATOM 0 H ILE A 24 -3.467 -1.182 -1.823 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.318 -3.271 -0.126 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.754 -3.876 0.125 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.312 -1.088 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.515 -2.514 -1.875 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.049 -2.046 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.397 -2.708 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.719 -1.146 1.057 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.650 -1.877 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.109 -3.464 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.903 -2.016 0.796 1.00 0.00 H new ATOM 406 N THR A 25 -2.952 -5.351 -1.536 1.00 0.00 N ATOM 407 CA THR A 25 -3.030 -6.477 -2.460 1.00 0.00 C ATOM 408 C THR A 25 -4.481 -6.923 -2.669 1.00 0.00 C ATOM 409 O THR A 25 -5.401 -6.504 -1.960 1.00 0.00 O ATOM 410 CB THR A 25 -2.119 -7.626 -1.996 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.419 -8.068 -0.688 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.638 -7.236 -2.038 1.00 0.00 C ATOM 0 H THR A 25 -2.727 -5.618 -0.578 1.00 0.00 H new ATOM 0 HA THR A 25 -2.663 -6.152 -3.434 1.00 0.00 H new ATOM 0 HB THR A 25 -2.310 -8.437 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.814 -8.799 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.031 -8.077 -1.702 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.360 -6.972 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.468 -6.381 -1.383 1.00 0.00 H new ATOM 420 N ASN A 26 -4.710 -7.818 -3.631 1.00 0.00 N ATOM 421 CA ASN A 26 -6.050 -8.317 -3.954 1.00 0.00 C ATOM 422 C ASN A 26 -6.710 -9.085 -2.796 1.00 0.00 C ATOM 423 O ASN A 26 -7.938 -9.132 -2.713 1.00 0.00 O ATOM 424 CB ASN A 26 -5.984 -9.163 -5.235 1.00 0.00 C ATOM 425 CG ASN A 26 -7.017 -8.714 -6.252 1.00 0.00 C ATOM 426 OD1 ASN A 26 -6.675 -8.056 -7.225 1.00 0.00 O ATOM 427 ND2 ASN A 26 -8.284 -9.018 -6.060 1.00 0.00 N ATOM 0 H ASN A 26 -3.972 -8.219 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.693 -7.453 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.987 -9.089 -5.670 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -6.147 -10.212 -4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.990 -8.704 -6.726 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.559 -9.567 -5.246 1.00 0.00 H new ATOM 434 N HIS A 27 -5.934 -9.611 -1.841 1.00 0.00 N ATOM 435 CA HIS A 27 -6.482 -10.194 -0.612 1.00 0.00 C ATOM 436 C HIS A 27 -7.253 -9.154 0.210 1.00 0.00 C ATOM 437 O HIS A 27 -8.191 -9.490 0.928 1.00 0.00 O ATOM 438 CB HIS A 27 -5.351 -10.813 0.221 1.00 0.00 C ATOM 439 CG HIS A 27 -5.847 -11.506 1.469 1.00 0.00 C ATOM 440 ND1 HIS A 27 -6.229 -12.831 1.551 1.00 0.00 N ATOM 441 CD2 HIS A 27 -6.125 -10.914 2.673 1.00 0.00 C ATOM 442 CE1 HIS A 27 -6.733 -13.038 2.777 1.00 0.00 C ATOM 443 NE2 HIS A 27 -6.661 -11.895 3.481 1.00 0.00 N ATOM 0 H HIS A 27 -4.916 -9.644 -1.898 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.188 -10.976 -0.892 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.805 -11.529 -0.393 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.645 -10.032 0.502 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.957 -9.881 2.938 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.133 -13.973 3.140 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.954 -11.774 4.450 1.00 0.00 H new ATOM 452 N ALA A 28 -6.878 -7.881 0.125 1.00 0.00 N ATOM 453 CA ALA A 28 -7.496 -6.839 0.919 1.00 0.00 C ATOM 454 C ALA A 28 -8.912 -6.524 0.425 1.00 0.00 C ATOM 455 O ALA A 28 -9.847 -6.421 1.228 1.00 0.00 O ATOM 456 CB ALA A 28 -6.602 -5.618 0.825 1.00 0.00 C ATOM 0 H ALA A 28 -6.139 -7.550 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.598 -7.163 1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.032 -4.806 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.613 -5.861 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.518 -5.308 -0.217 1.00 0.00 H new ATOM 462 N GLN A 29 -9.068 -6.377 -0.898 1.00 0.00 N ATOM 463 CA GLN A 29 -10.355 -6.073 -1.524 1.00 0.00 C ATOM 464 C GLN A 29 -11.358 -7.214 -1.334 1.00 0.00 C ATOM 465 O GLN A 29 -12.565 -6.991 -1.361 1.00 0.00 O ATOM 466 CB GLN A 29 -10.158 -5.649 -2.995 1.00 0.00 C ATOM 467 CG GLN A 29 -9.735 -6.687 -4.029 1.00 0.00 C ATOM 468 CD GLN A 29 -10.778 -7.756 -4.296 1.00 0.00 C ATOM 469 OE1 GLN A 29 -11.835 -7.483 -4.853 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.510 -8.989 -3.907 1.00 0.00 N ATOM 0 H GLN A 29 -8.300 -6.467 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.800 -5.216 -1.018 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.096 -5.212 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.413 -4.854 -3.008 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.504 -6.178 -4.965 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.816 -7.167 -3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.625 -9.197 -3.445 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.188 -9.734 -4.069 1.00 0.00 H new ATOM 479 N GLU A 30 -10.864 -8.435 -1.122 1.00 0.00 N ATOM 480 CA GLU A 30 -11.617 -9.645 -0.961 1.00 0.00 C ATOM 481 C GLU A 30 -12.394 -9.558 0.351 1.00 0.00 C ATOM 482 O GLU A 30 -13.588 -9.846 0.398 1.00 0.00 O ATOM 483 CB GLU A 30 -10.561 -10.767 -1.043 1.00 0.00 C ATOM 484 CG GLU A 30 -10.901 -11.980 -0.211 1.00 0.00 C ATOM 485 CD GLU A 30 -9.791 -13.031 -0.151 1.00 0.00 C ATOM 486 OE1 GLU A 30 -9.449 -13.633 -1.190 1.00 0.00 O ATOM 487 OE2 GLU A 30 -9.257 -13.259 0.962 1.00 0.00 O ATOM 0 H GLU A 30 -9.859 -8.598 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.380 -9.834 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.446 -11.071 -2.083 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.598 -10.373 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.135 -11.657 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.802 -12.442 -0.614 1.00 0.00 H new ATOM 494 N GLN A 31 -11.704 -9.164 1.420 1.00 0.00 N ATOM 495 CA GLN A 31 -12.297 -9.095 2.746 1.00 0.00 C ATOM 496 C GLN A 31 -13.300 -7.944 2.834 1.00 0.00 C ATOM 497 O GLN A 31 -14.435 -8.155 3.265 1.00 0.00 O ATOM 498 CB GLN A 31 -11.211 -8.963 3.821 1.00 0.00 C ATOM 499 CG GLN A 31 -10.235 -10.150 3.851 1.00 0.00 C ATOM 500 CD GLN A 31 -10.921 -11.500 4.073 1.00 0.00 C ATOM 501 OE1 GLN A 31 -11.834 -11.641 4.880 1.00 0.00 O ATOM 502 NE2 GLN A 31 -10.498 -12.546 3.383 1.00 0.00 N ATOM 0 H GLN A 31 -10.723 -8.886 1.388 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.837 -10.024 2.926 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.650 -8.045 3.649 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.686 -8.868 4.797 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.685 -10.181 2.911 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.504 -9.989 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.739 -12.440 2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.930 -13.459 3.524 1.00 0.00 H new ATOM 511 N LEU A 32 -12.899 -6.720 2.464 1.00 0.00 N ATOM 512 CA LEU A 32 -13.778 -5.562 2.640 1.00 0.00 C ATOM 513 C LEU A 32 -14.921 -5.574 1.626 1.00 0.00 C ATOM 514 O LEU A 32 -16.027 -5.167 1.973 1.00 0.00 O ATOM 515 CB LEU A 32 -13.016 -4.231 2.567 1.00 0.00 C ATOM 516 CG LEU A 32 -11.918 -4.008 3.628 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.614 -2.511 3.765 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.257 -4.549 5.022 1.00 0.00 C ATOM 0 H LEU A 32 -11.991 -6.511 2.050 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.198 -5.644 3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.558 -4.153 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.739 -3.419 2.648 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.057 -4.569 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.838 -2.365 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.270 -2.120 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.518 -1.983 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.429 -4.348 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.158 -4.060 5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.426 -5.624 4.964 1.00 0.00 H new ATOM 530 N GLY A 33 -14.703 -6.079 0.410 1.00 0.00 N ATOM 531 CA GLY A 33 -15.714 -6.076 -0.634 1.00 0.00 C ATOM 532 C GLY A 33 -15.870 -4.673 -1.205 1.00 0.00 C ATOM 533 O GLY A 33 -14.868 -4.019 -1.509 1.00 0.00 O ATOM 0 H GLY A 33 -13.818 -6.500 0.127 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.433 -6.770 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.666 -6.421 -0.231 1.00 0.00 H new ATOM 537 N ASP A 34 -17.117 -4.223 -1.354 1.00 0.00 N ATOM 538 CA ASP A 34 -17.472 -2.833 -1.639 1.00 0.00 C ATOM 539 C ASP A 34 -16.954 -1.975 -0.491 1.00 0.00 C ATOM 540 O ASP A 34 -16.968 -2.401 0.669 1.00 0.00 O ATOM 541 CB ASP A 34 -18.998 -2.604 -1.694 1.00 0.00 C ATOM 542 CG ASP A 34 -19.732 -3.209 -2.886 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.677 -4.440 -3.091 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.489 -2.476 -3.562 1.00 0.00 O ATOM 0 H ASP A 34 -17.931 -4.833 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.041 -2.579 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.437 -3.008 -0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.183 -1.530 -1.688 1.00 0.00 H new ATOM 549 N VAL A 35 -16.569 -0.746 -0.799 1.00 0.00 N ATOM 550 CA VAL A 35 -16.080 0.249 0.130 1.00 0.00 C ATOM 551 C VAL A 35 -17.020 1.463 0.008 1.00 0.00 C ATOM 552 O VAL A 35 -18.228 1.303 -0.172 1.00 0.00 O ATOM 553 CB VAL A 35 -14.565 0.484 -0.118 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.885 1.379 0.946 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.772 -0.821 -0.017 1.00 0.00 C ATOM 0 H VAL A 35 -16.593 -0.402 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.112 -0.050 1.178 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.546 0.945 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.829 1.495 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.365 2.358 0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.982 0.915 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.716 -0.620 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.897 -1.246 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.138 -1.528 -0.762 1.00 0.00 H new ATOM 565 N VAL A 36 -16.484 2.656 0.241 1.00 0.00 N ATOM 566 CA VAL A 36 -17.115 3.940 0.460 1.00 0.00 C ATOM 567 C VAL A 36 -16.018 4.986 0.686 1.00 0.00 C ATOM 568 O VAL A 36 -16.177 6.095 0.177 1.00 0.00 O ATOM 569 CB VAL A 36 -18.074 3.962 1.675 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.520 3.555 1.359 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.568 3.231 2.920 1.00 0.00 C ATOM 0 H VAL A 36 -15.469 2.750 0.285 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.717 4.155 -0.423 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.086 5.023 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.118 3.600 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.936 4.237 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.534 2.539 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.312 3.305 3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.396 2.182 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.635 3.685 3.254 1.00 0.00 H new ATOM 581 N TYR A 37 -14.937 4.686 1.432 1.00 0.00 N ATOM 582 CA TYR A 37 -13.924 5.694 1.730 1.00 0.00 C ATOM 583 C TYR A 37 -12.517 5.118 1.922 1.00 0.00 C ATOM 584 O TYR A 37 -12.339 3.966 2.327 1.00 0.00 O ATOM 585 CB TYR A 37 -14.348 6.494 2.969 1.00 0.00 C ATOM 586 CG TYR A 37 -13.395 7.630 3.287 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.163 8.622 2.314 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.664 7.637 4.492 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.204 9.621 2.532 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.696 8.638 4.713 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.461 9.631 3.731 1.00 0.00 C ATOM 592 OH TYR A 37 -10.521 10.600 3.914 1.00 0.00 O ATOM 0 H TYR A 37 -14.752 3.765 1.830 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.862 6.346 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.348 6.898 2.811 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.407 5.824 3.827 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.728 8.613 1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.844 6.880 5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.034 10.381 1.784 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.132 8.648 5.634 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.092 10.479 4.787 1.00 0.00 H new ATOM 602 N VAL A 38 -11.502 5.953 1.672 1.00 0.00 N ATOM 603 CA VAL A 38 -10.101 5.686 1.973 1.00 0.00 C ATOM 604 C VAL A 38 -9.468 6.988 2.421 1.00 0.00 C ATOM 605 O VAL A 38 -9.653 8.039 1.805 1.00 0.00 O ATOM 606 CB VAL A 38 -9.359 4.928 0.834 1.00 0.00 C ATOM 607 CG1 VAL A 38 -10.277 4.545 -0.343 1.00 0.00 C ATOM 608 CG2 VAL A 38 -8.122 5.634 0.242 1.00 0.00 C ATOM 0 H VAL A 38 -11.645 6.865 1.239 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.016 4.976 2.795 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.014 4.040 1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.696 4.020 -1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.077 3.897 0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.708 5.447 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.689 5.013 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.418 6.595 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.384 5.794 1.028 1.00 0.00 H new ATOM 618 N ASP A 39 -8.766 6.876 3.541 1.00 0.00 N ATOM 619 CA ASP A 39 -7.948 7.886 4.177 1.00 0.00 C ATOM 620 C ASP A 39 -6.574 7.867 3.547 1.00 0.00 C ATOM 621 O ASP A 39 -6.136 6.816 3.084 1.00 0.00 O ATOM 622 CB ASP A 39 -7.896 7.591 5.700 1.00 0.00 C ATOM 623 CG ASP A 39 -6.614 7.975 6.458 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.392 9.161 6.782 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.897 7.056 6.921 1.00 0.00 O ATOM 0 H ASP A 39 -8.757 6.002 4.067 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.366 8.883 4.039 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.732 8.108 6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.062 6.523 5.841 1.00 0.00 H new ATOM 630 N LEU A 40 -5.921 9.024 3.471 1.00 0.00 N ATOM 631 CA LEU A 40 -4.625 9.209 2.849 1.00 0.00 C ATOM 632 C LEU A 40 -3.824 10.257 3.631 1.00 0.00 C ATOM 633 O LEU A 40 -4.390 11.223 4.158 1.00 0.00 O ATOM 634 CB LEU A 40 -4.757 9.706 1.398 1.00 0.00 C ATOM 635 CG LEU A 40 -5.273 8.716 0.342 1.00 0.00 C ATOM 636 CD1 LEU A 40 -4.550 7.367 0.289 1.00 0.00 C ATOM 637 CD2 LEU A 40 -6.773 8.643 0.226 1.00 0.00 C ATOM 0 H LEU A 40 -6.300 9.888 3.858 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.122 8.242 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.422 10.570 1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.777 10.059 1.075 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.967 9.180 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.994 6.747 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.495 7.528 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.646 6.865 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.044 7.919 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.197 8.333 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.165 9.623 -0.044 1.00 0.00 H new ATOM 649 N PRO A 41 -2.490 10.132 3.657 1.00 0.00 N ATOM 650 CA PRO A 41 -1.616 11.056 4.366 1.00 0.00 C ATOM 651 C PRO A 41 -1.410 12.406 3.657 1.00 0.00 C ATOM 652 O PRO A 41 -1.945 12.660 2.573 1.00 0.00 O ATOM 653 CB PRO A 41 -0.305 10.297 4.545 1.00 0.00 C ATOM 654 CG PRO A 41 -0.320 9.175 3.502 1.00 0.00 C ATOM 655 CD PRO A 41 -1.764 9.009 3.093 1.00 0.00 C ATOM 0 HA PRO A 41 -2.065 11.347 5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.551 10.956 4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.224 9.891 5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.302 9.431 2.644 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.077 8.249 3.919 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.859 8.993 2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.164 8.065 3.462 1.00 0.00 H new ATOM 663 N GLU A 42 -0.616 13.292 4.266 1.00 0.00 N ATOM 664 CA GLU A 42 -0.158 14.537 3.655 1.00 0.00 C ATOM 665 C GLU A 42 1.162 14.314 2.904 1.00 0.00 C ATOM 666 O GLU A 42 1.964 13.472 3.304 1.00 0.00 O ATOM 667 CB GLU A 42 0.029 15.616 4.728 1.00 0.00 C ATOM 668 CG GLU A 42 -0.121 17.008 4.096 1.00 0.00 C ATOM 669 CD GLU A 42 1.075 17.916 4.377 1.00 0.00 C ATOM 670 OE1 GLU A 42 2.142 17.714 3.745 1.00 0.00 O ATOM 671 OE2 GLU A 42 0.959 18.831 5.225 1.00 0.00 O ATOM 0 H GLU A 42 -0.269 13.158 5.216 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.914 14.869 2.944 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.707 15.485 5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.013 15.519 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.246 16.902 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.027 17.479 4.477 1.00 0.00 H new ATOM 678 N VAL A 43 1.424 15.109 1.866 1.00 0.00 N ATOM 679 CA VAL A 43 2.483 14.971 0.856 1.00 0.00 C ATOM 680 C VAL A 43 3.918 15.271 1.364 1.00 0.00 C ATOM 681 O VAL A 43 4.865 15.407 0.589 1.00 0.00 O ATOM 682 CB VAL A 43 2.035 15.824 -0.359 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.610 17.242 -0.365 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.336 15.140 -1.688 1.00 0.00 C ATOM 0 H VAL A 43 0.855 15.937 1.692 1.00 0.00 H new ATOM 0 HA VAL A 43 2.589 13.925 0.567 1.00 0.00 H new ATOM 0 HB VAL A 43 0.955 15.914 -0.244 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.252 17.776 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.290 17.768 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.699 17.193 -0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.004 15.776 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.409 14.968 -1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.811 14.186 -1.733 1.00 0.00 H new ATOM 694 N GLY A 44 4.088 15.378 2.674 1.00 0.00 N ATOM 695 CA GLY A 44 5.359 15.562 3.363 1.00 0.00 C ATOM 696 C GLY A 44 5.384 14.885 4.734 1.00 0.00 C ATOM 697 O GLY A 44 6.290 15.129 5.536 1.00 0.00 O ATOM 0 H GLY A 44 3.300 15.337 3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.164 15.160 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.552 16.628 3.484 1.00 0.00 H new ATOM 701 N ARG A 45 4.388 14.050 5.045 1.00 0.00 N ATOM 702 CA ARG A 45 4.326 13.295 6.291 1.00 0.00 C ATOM 703 C ARG A 45 5.412 12.222 6.248 1.00 0.00 C ATOM 704 O ARG A 45 5.498 11.495 5.261 1.00 0.00 O ATOM 705 CB ARG A 45 2.913 12.706 6.398 1.00 0.00 C ATOM 706 CG ARG A 45 2.660 11.955 7.708 1.00 0.00 C ATOM 707 CD ARG A 45 1.159 11.695 7.842 1.00 0.00 C ATOM 708 NE ARG A 45 0.859 10.952 9.066 1.00 0.00 N ATOM 709 CZ ARG A 45 -0.304 10.395 9.416 1.00 0.00 C ATOM 710 NH1 ARG A 45 -1.396 10.530 8.665 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.339 9.687 10.530 1.00 0.00 N ATOM 0 H ARG A 45 3.594 13.880 4.428 1.00 0.00 H new ATOM 0 HA ARG A 45 4.507 13.911 7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.185 13.511 6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.747 12.027 5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.209 11.013 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.019 12.540 8.555 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.622 12.643 7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.806 11.134 6.977 1.00 0.00 H new ATOM 0 HE ARG A 45 1.627 10.847 9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -1.357 11.069 7.800 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.272 10.094 8.955 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.505 9.580 11.093 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.210 9.248 10.828 1.00 0.00 H new ATOM 725 N GLU A 46 6.262 12.113 7.269 1.00 0.00 N ATOM 726 CA GLU A 46 7.128 10.943 7.390 1.00 0.00 C ATOM 727 C GLU A 46 6.292 9.797 7.958 1.00 0.00 C ATOM 728 O GLU A 46 5.321 10.042 8.676 1.00 0.00 O ATOM 729 CB GLU A 46 8.326 11.216 8.308 1.00 0.00 C ATOM 730 CG GLU A 46 9.529 11.750 7.517 1.00 0.00 C ATOM 731 CD GLU A 46 10.861 11.208 8.039 1.00 0.00 C ATOM 732 OE1 GLU A 46 11.143 11.370 9.249 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.651 10.676 7.226 1.00 0.00 O ATOM 0 H GLU A 46 6.368 12.806 8.010 1.00 0.00 H new ATOM 0 HA GLU A 46 7.525 10.689 6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.042 11.938 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.607 10.298 8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.418 11.481 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.539 12.839 7.568 1.00 0.00 H new ATOM 740 N VAL A 47 6.679 8.556 7.664 1.00 0.00 N ATOM 741 CA VAL A 47 6.030 7.343 8.148 1.00 0.00 C ATOM 742 C VAL A 47 7.082 6.272 8.439 1.00 0.00 C ATOM 743 O VAL A 47 8.260 6.395 8.078 1.00 0.00 O ATOM 744 CB VAL A 47 4.968 6.846 7.139 1.00 0.00 C ATOM 745 CG1 VAL A 47 3.850 7.874 6.941 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.560 6.482 5.768 1.00 0.00 C ATOM 0 H VAL A 47 7.480 8.364 7.062 1.00 0.00 H new ATOM 0 HA VAL A 47 5.507 7.565 9.078 1.00 0.00 H new ATOM 0 HB VAL A 47 4.558 5.939 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.124 7.488 6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.356 8.062 7.894 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.274 8.804 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.763 6.141 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.041 7.359 5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.296 5.687 5.889 1.00 0.00 H new ATOM 756 N LYS A 48 6.649 5.179 9.064 1.00 0.00 N ATOM 757 CA LYS A 48 7.474 4.034 9.409 1.00 0.00 C ATOM 758 C LYS A 48 6.896 2.785 8.782 1.00 0.00 C ATOM 759 O LYS A 48 5.729 2.772 8.421 1.00 0.00 O ATOM 760 CB LYS A 48 7.534 3.917 10.937 1.00 0.00 C ATOM 761 CG LYS A 48 8.424 5.014 11.552 1.00 0.00 C ATOM 762 CD LYS A 48 9.914 4.751 11.275 1.00 0.00 C ATOM 763 CE LYS A 48 10.789 5.991 11.460 1.00 0.00 C ATOM 764 NZ LYS A 48 12.030 5.908 10.656 1.00 0.00 N ATOM 0 H LYS A 48 5.677 5.067 9.353 1.00 0.00 H new ATOM 0 HA LYS A 48 8.487 4.161 9.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.527 3.990 11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.921 2.936 11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.142 5.984 11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.255 5.060 12.628 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.267 3.963 11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.028 4.383 10.255 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.227 6.880 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.044 6.103 12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.714 6.612 11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.438 4.956 10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.810 6.098 9.657 1.00 0.00 H new ATOM 778 N LYS A 49 7.669 1.705 8.760 1.00 0.00 N ATOM 779 CA LYS A 49 7.287 0.400 8.218 1.00 0.00 C ATOM 780 C LYS A 49 6.102 -0.307 8.898 1.00 0.00 C ATOM 781 O LYS A 49 5.816 -1.472 8.611 1.00 0.00 O ATOM 782 CB LYS A 49 8.527 -0.490 8.223 1.00 0.00 C ATOM 783 CG LYS A 49 9.015 -0.795 9.651 1.00 0.00 C ATOM 784 CD LYS A 49 10.204 -1.752 9.689 1.00 0.00 C ATOM 785 CE LYS A 49 9.831 -3.098 9.062 1.00 0.00 C ATOM 786 NZ LYS A 49 10.447 -4.218 9.786 1.00 0.00 N ATOM 0 H LYS A 49 8.618 1.712 9.134 1.00 0.00 H new ATOM 0 HA LYS A 49 6.913 0.587 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.304 -1.425 7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.325 -0.002 7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.293 0.139 10.140 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.193 -1.224 10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.047 -1.316 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.525 -1.901 10.720 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.747 -3.214 9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.151 -3.117 8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.174 -5.115 9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.482 -4.119 9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.122 -4.214 10.774 1.00 0.00 H new ATOM 800 N GLY A 50 5.418 0.371 9.805 1.00 0.00 N ATOM 801 CA GLY A 50 4.145 -0.043 10.349 1.00 0.00 C ATOM 802 C GLY A 50 3.417 1.196 10.840 1.00 0.00 C ATOM 803 O GLY A 50 3.428 1.463 12.039 1.00 0.00 O ATOM 0 H GLY A 50 5.749 1.254 10.193 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.555 -0.555 9.589 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.292 -0.748 11.167 1.00 0.00 H new ATOM 807 N GLU A 51 2.866 1.992 9.926 1.00 0.00 N ATOM 808 CA GLU A 51 2.158 3.236 10.227 1.00 0.00 C ATOM 809 C GLU A 51 0.841 3.277 9.449 1.00 0.00 C ATOM 810 O GLU A 51 0.855 3.275 8.223 1.00 0.00 O ATOM 811 CB GLU A 51 3.066 4.425 9.861 1.00 0.00 C ATOM 812 CG GLU A 51 3.449 5.293 11.061 1.00 0.00 C ATOM 813 CD GLU A 51 2.776 6.656 10.969 1.00 0.00 C ATOM 814 OE1 GLU A 51 1.549 6.742 11.163 1.00 0.00 O ATOM 815 OE2 GLU A 51 3.499 7.636 10.685 1.00 0.00 O ATOM 0 H GLU A 51 2.900 1.784 8.928 1.00 0.00 H new ATOM 0 HA GLU A 51 1.920 3.294 11.289 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.974 4.047 9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.559 5.045 9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.154 4.797 11.985 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.531 5.417 11.097 1.00 0.00 H new ATOM 822 N VAL A 52 -0.294 3.246 10.139 1.00 0.00 N ATOM 823 CA VAL A 52 -1.634 3.378 9.586 1.00 0.00 C ATOM 824 C VAL A 52 -1.856 4.849 9.219 1.00 0.00 C ATOM 825 O VAL A 52 -2.285 5.690 10.019 1.00 0.00 O ATOM 826 CB VAL A 52 -2.696 2.762 10.525 1.00 0.00 C ATOM 827 CG1 VAL A 52 -2.341 2.930 12.001 1.00 0.00 C ATOM 828 CG2 VAL A 52 -4.139 3.231 10.258 1.00 0.00 C ATOM 0 H VAL A 52 -0.303 3.122 11.151 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.743 2.800 8.668 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.674 1.700 10.283 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.120 2.480 12.616 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.389 2.439 12.204 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.260 3.991 12.237 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.815 2.748 10.963 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.199 4.312 10.381 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.426 2.965 9.241 1.00 0.00 H new ATOM 838 N VAL A 53 -1.562 5.139 7.962 1.00 0.00 N ATOM 839 CA VAL A 53 -1.727 6.452 7.372 1.00 0.00 C ATOM 840 C VAL A 53 -2.776 6.449 6.264 1.00 0.00 C ATOM 841 O VAL A 53 -3.038 7.524 5.719 1.00 0.00 O ATOM 842 CB VAL A 53 -0.364 6.956 6.870 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.518 7.356 8.054 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.373 5.924 6.002 1.00 0.00 C ATOM 0 H VAL A 53 -1.193 4.448 7.309 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.097 7.138 8.135 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.563 7.823 6.240 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.481 7.711 7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.030 8.150 8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.673 6.492 8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.328 6.337 5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.548 5.018 6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.234 5.683 5.129 1.00 0.00 H new ATOM 854 N ALA A 54 -3.344 5.285 5.925 1.00 0.00 N ATOM 855 CA ALA A 54 -4.232 5.155 4.789 1.00 0.00 C ATOM 856 C ALA A 54 -5.348 4.145 5.050 1.00 0.00 C ATOM 857 O ALA A 54 -5.518 3.182 4.304 1.00 0.00 O ATOM 858 CB ALA A 54 -3.403 4.808 3.553 1.00 0.00 C ATOM 0 H ALA A 54 -3.194 4.415 6.436 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.738 6.105 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.061 4.707 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.679 5.601 3.366 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.877 3.868 3.720 1.00 0.00 H new ATOM 864 N SER A 55 -6.066 4.332 6.153 1.00 0.00 N ATOM 865 CA SER A 55 -7.193 3.493 6.538 1.00 0.00 C ATOM 866 C SER A 55 -8.248 3.433 5.429 1.00 0.00 C ATOM 867 O SER A 55 -8.388 4.346 4.616 1.00 0.00 O ATOM 868 CB SER A 55 -7.791 4.063 7.823 1.00 0.00 C ATOM 869 OG SER A 55 -7.300 3.381 8.961 1.00 0.00 O ATOM 0 H SER A 55 -5.877 5.084 6.815 1.00 0.00 H new ATOM 0 HA SER A 55 -6.849 2.472 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.551 5.124 7.900 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.878 3.983 7.788 1.00 0.00 H new ATOM 0 HG SER A 55 -7.697 3.766 9.770 1.00 0.00 H new ATOM 875 N ILE A 56 -9.032 2.363 5.424 1.00 0.00 N ATOM 876 CA ILE A 56 -10.016 2.077 4.394 1.00 0.00 C ATOM 877 C ILE A 56 -11.322 1.780 5.120 1.00 0.00 C ATOM 878 O ILE A 56 -11.522 0.642 5.560 1.00 0.00 O ATOM 879 CB ILE A 56 -9.546 0.909 3.488 1.00 0.00 C ATOM 880 CG1 ILE A 56 -8.069 1.011 3.066 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.507 0.822 2.290 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.646 -0.060 2.059 1.00 0.00 C ATOM 0 H ILE A 56 -8.999 1.653 6.156 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.154 2.921 3.718 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.585 -0.019 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.890 1.996 2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.440 0.933 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.199 0.007 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.520 0.637 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.484 1.761 1.736 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.594 0.073 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.793 -1.048 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.250 0.031 1.156 1.00 0.00 H new ATOM 894 N GLU A 57 -12.186 2.784 5.293 1.00 0.00 N ATOM 895 CA GLU A 57 -13.514 2.555 5.835 1.00 0.00 C ATOM 896 C GLU A 57 -14.384 2.083 4.690 1.00 0.00 C ATOM 897 O GLU A 57 -14.722 2.850 3.795 1.00 0.00 O ATOM 898 CB GLU A 57 -14.126 3.784 6.540 1.00 0.00 C ATOM 899 CG GLU A 57 -14.028 3.616 8.066 1.00 0.00 C ATOM 900 CD GLU A 57 -15.168 4.289 8.840 1.00 0.00 C ATOM 901 OE1 GLU A 57 -16.329 3.824 8.721 1.00 0.00 O ATOM 902 OE2 GLU A 57 -14.886 5.199 9.662 1.00 0.00 O ATOM 0 H GLU A 57 -11.984 3.757 5.064 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.447 1.804 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.603 4.689 6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.169 3.902 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.018 2.552 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.078 4.028 8.407 1.00 0.00 H new ATOM 909 N SER A 58 -14.726 0.803 4.723 1.00 0.00 N ATOM 910 CA SER A 58 -15.679 0.184 3.828 1.00 0.00 C ATOM 911 C SER A 58 -17.092 0.284 4.397 1.00 0.00 C ATOM 912 O SER A 58 -17.344 0.999 5.376 1.00 0.00 O ATOM 913 CB SER A 58 -15.230 -1.256 3.564 1.00 0.00 C ATOM 914 OG SER A 58 -15.209 -2.007 4.764 1.00 0.00 O ATOM 0 H SER A 58 -14.331 0.149 5.399 1.00 0.00 H new ATOM 0 HA SER A 58 -15.710 0.706 2.872 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.904 -1.726 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.237 -1.255 3.114 1.00 0.00 H new ATOM 0 HG SER A 58 -14.921 -2.924 4.571 1.00 0.00 H new ATOM 920 N VAL A 59 -18.024 -0.436 3.773 1.00 0.00 N ATOM 921 CA VAL A 59 -19.430 -0.457 4.133 1.00 0.00 C ATOM 922 C VAL A 59 -19.636 -0.796 5.612 1.00 0.00 C ATOM 923 O VAL A 59 -20.602 -0.300 6.193 1.00 0.00 O ATOM 924 CB VAL A 59 -20.207 -1.405 3.193 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.329 -0.807 1.785 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.570 -2.797 3.055 1.00 0.00 C ATOM 0 H VAL A 59 -17.808 -1.038 2.978 1.00 0.00 H new ATOM 0 HA VAL A 59 -19.835 0.546 3.999 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.186 -1.519 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -20.880 -1.495 1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -20.860 0.144 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.334 -0.644 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.171 -3.407 2.380 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.561 -2.697 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.526 -3.275 4.033 1.00 0.00 H new ATOM 936 N LYS A 60 -18.747 -1.574 6.253 1.00 0.00 N ATOM 937 CA LYS A 60 -18.852 -1.870 7.685 1.00 0.00 C ATOM 938 C LYS A 60 -17.574 -2.429 8.314 1.00 0.00 C ATOM 939 O LYS A 60 -17.635 -3.191 9.280 1.00 0.00 O ATOM 940 CB LYS A 60 -20.101 -2.722 7.990 1.00 0.00 C ATOM 941 CG LYS A 60 -20.348 -3.922 7.061 1.00 0.00 C ATOM 942 CD LYS A 60 -21.789 -4.442 7.122 1.00 0.00 C ATOM 943 CE LYS A 60 -22.793 -3.392 6.615 1.00 0.00 C ATOM 944 NZ LYS A 60 -23.419 -2.650 7.729 1.00 0.00 N ATOM 0 H LYS A 60 -17.946 -2.009 5.796 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.982 -0.908 8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.023 -3.091 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.976 -2.073 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.115 -3.634 6.036 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -19.665 -4.728 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -21.875 -5.348 6.522 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -22.035 -4.715 8.148 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -22.284 -2.692 5.953 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -23.567 -3.884 6.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -24.400 -2.972 7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -22.885 -2.823 8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -23.413 -1.632 7.515 1.00 0.00 H new ATOM 958 N ALA A 61 -16.407 -2.061 7.792 1.00 0.00 N ATOM 959 CA ALA A 61 -15.123 -2.464 8.347 1.00 0.00 C ATOM 960 C ALA A 61 -14.085 -1.382 8.067 1.00 0.00 C ATOM 961 O ALA A 61 -14.272 -0.590 7.139 1.00 0.00 O ATOM 962 CB ALA A 61 -14.713 -3.781 7.693 1.00 0.00 C ATOM 0 H ALA A 61 -16.328 -1.470 6.965 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.196 -2.598 9.426 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.752 -4.103 8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.466 -4.541 7.902 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.628 -3.641 6.615 1.00 0.00 H new ATOM 968 N ALA A 62 -12.977 -1.398 8.810 1.00 0.00 N ATOM 969 CA ALA A 62 -11.835 -0.513 8.646 1.00 0.00 C ATOM 970 C ALA A 62 -10.586 -1.382 8.568 1.00 0.00 C ATOM 971 O ALA A 62 -10.159 -1.928 9.587 1.00 0.00 O ATOM 972 CB ALA A 62 -11.737 0.503 9.789 1.00 0.00 C ATOM 0 H ALA A 62 -12.851 -2.060 9.576 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.946 0.071 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.871 1.146 9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.641 1.111 9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.629 -0.025 10.737 1.00 0.00 H new ATOM 978 N ALA A 63 -10.017 -1.539 7.370 1.00 0.00 N ATOM 979 CA ALA A 63 -8.642 -2.008 7.247 1.00 0.00 C ATOM 980 C ALA A 63 -7.749 -0.810 7.531 1.00 0.00 C ATOM 981 O ALA A 63 -7.852 0.199 6.836 1.00 0.00 O ATOM 982 CB ALA A 63 -8.357 -2.570 5.854 1.00 0.00 C ATOM 0 H ALA A 63 -10.484 -1.350 6.483 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.456 -2.821 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.322 -2.909 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.024 -3.409 5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.522 -1.793 5.108 1.00 0.00 H new ATOM 988 N ASP A 64 -6.910 -0.900 8.553 1.00 0.00 N ATOM 989 CA ASP A 64 -5.781 -0.031 8.764 1.00 0.00 C ATOM 990 C ASP A 64 -4.718 -0.505 7.775 1.00 0.00 C ATOM 991 O ASP A 64 -4.457 -1.706 7.673 1.00 0.00 O ATOM 992 CB ASP A 64 -5.270 -0.189 10.209 1.00 0.00 C ATOM 993 CG ASP A 64 -5.807 -1.353 11.052 1.00 0.00 C ATOM 994 OD1 ASP A 64 -5.630 -2.536 10.673 1.00 0.00 O ATOM 995 OD2 ASP A 64 -6.311 -1.107 12.173 1.00 0.00 O ATOM 0 H ASP A 64 -7.008 -1.609 9.280 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.033 1.019 8.615 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.185 -0.282 10.169 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.491 0.736 10.742 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.125 0.418 7.018 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.174 0.084 5.962 1.00 0.00 C ATOM 1002 C VAL A 65 -1.800 0.580 6.420 1.00 0.00 C ATOM 1003 O VAL A 65 -1.578 1.795 6.483 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.591 0.661 4.615 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.708 0.128 3.487 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -5.001 0.209 4.266 1.00 0.00 C ATOM 0 H VAL A 65 -4.292 1.419 7.121 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.142 -0.994 5.802 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.511 1.744 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.030 0.558 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.670 0.403 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.793 -0.958 3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.289 0.627 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.032 -0.879 4.213 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.694 0.555 5.033 1.00 0.00 H new ATOM 1016 N TYR A 66 -0.894 -0.315 6.814 1.00 0.00 N ATOM 1017 CA TYR A 66 0.277 0.042 7.603 1.00 0.00 C ATOM 1018 C TYR A 66 1.512 0.162 6.710 1.00 0.00 C ATOM 1019 O TYR A 66 2.095 -0.855 6.317 1.00 0.00 O ATOM 1020 CB TYR A 66 0.584 -1.004 8.667 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.552 -1.374 9.579 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -1.405 -2.420 9.201 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -0.725 -0.722 10.809 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -2.381 -2.893 10.081 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -1.693 -1.199 11.713 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.514 -2.296 11.356 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.442 -2.767 12.225 1.00 0.00 O ATOM 0 H TYR A 66 -0.955 -1.309 6.593 1.00 0.00 H new ATOM 0 HA TYR A 66 0.048 0.995 8.080 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.932 -1.909 8.168 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.410 -0.639 9.278 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.307 -2.864 8.221 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.121 0.138 11.060 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.028 -3.707 9.790 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.809 -0.729 12.678 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.229 -3.073 11.728 1.00 0.00 H new ATOM 1037 N ALA A 67 1.951 1.402 6.494 1.00 0.00 N ATOM 1038 CA ALA A 67 3.034 1.802 5.600 1.00 0.00 C ATOM 1039 C ALA A 67 4.162 0.772 5.600 1.00 0.00 C ATOM 1040 O ALA A 67 4.669 0.460 6.670 1.00 0.00 O ATOM 1041 CB ALA A 67 3.571 3.176 5.999 1.00 0.00 C ATOM 0 H ALA A 67 1.533 2.202 6.969 1.00 0.00 H new ATOM 0 HA ALA A 67 2.631 1.859 4.589 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.378 3.461 5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.769 3.912 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.950 3.136 7.020 1.00 0.00 H new ATOM 1047 N PRO A 68 4.547 0.197 4.453 1.00 0.00 N ATOM 1048 CA PRO A 68 5.322 -1.039 4.439 1.00 0.00 C ATOM 1049 C PRO A 68 6.814 -0.864 4.713 1.00 0.00 C ATOM 1050 O PRO A 68 7.478 -1.819 5.112 1.00 0.00 O ATOM 1051 CB PRO A 68 5.103 -1.599 3.040 1.00 0.00 C ATOM 1052 CG PRO A 68 4.862 -0.357 2.185 1.00 0.00 C ATOM 1053 CD PRO A 68 4.055 0.518 3.127 1.00 0.00 C ATOM 0 HA PRO A 68 4.989 -1.694 5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.970 -2.161 2.694 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.250 -2.277 3.009 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.795 0.119 1.884 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.313 -0.589 1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.194 1.575 2.900 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.988 0.311 3.041 1.00 0.00 H new ATOM 1061 N LEU A 69 7.353 0.327 4.464 1.00 0.00 N ATOM 1062 CA LEU A 69 8.728 0.722 4.719 1.00 0.00 C ATOM 1063 C LEU A 69 8.651 2.058 5.438 1.00 0.00 C ATOM 1064 O LEU A 69 7.653 2.776 5.337 1.00 0.00 O ATOM 1065 CB LEU A 69 9.500 0.933 3.406 1.00 0.00 C ATOM 1066 CG LEU A 69 10.003 -0.289 2.628 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.709 -1.369 3.463 1.00 0.00 C ATOM 1068 CD2 LEU A 69 8.892 -0.876 1.768 1.00 0.00 C ATOM 0 H LEU A 69 6.806 1.084 4.055 1.00 0.00 H new ATOM 0 HA LEU A 69 9.240 -0.049 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.858 1.506 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.365 1.557 3.631 1.00 0.00 H new ATOM 0 HG LEU A 69 10.794 0.096 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.022 -2.185 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.583 -0.938 3.951 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.023 -1.751 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.271 -1.742 1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.062 -1.182 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.546 -0.125 1.058 1.00 0.00 H new ATOM 1080 N SER A 70 9.733 2.433 6.098 1.00 0.00 N ATOM 1081 CA SER A 70 9.904 3.768 6.635 1.00 0.00 C ATOM 1082 C SER A 70 10.290 4.712 5.493 1.00 0.00 C ATOM 1083 O SER A 70 10.864 4.281 4.497 1.00 0.00 O ATOM 1084 CB SER A 70 10.946 3.684 7.752 1.00 0.00 C ATOM 1085 OG SER A 70 10.598 2.640 8.653 1.00 0.00 O ATOM 0 H SER A 70 10.523 1.813 6.277 1.00 0.00 H new ATOM 0 HA SER A 70 8.989 4.172 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.933 3.498 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.001 4.634 8.284 1.00 0.00 H new ATOM 0 HG SER A 70 11.268 2.587 9.367 1.00 0.00 H new ATOM 1091 N GLY A 71 9.928 5.988 5.553 1.00 0.00 N ATOM 1092 CA GLY A 71 10.114 6.914 4.436 1.00 0.00 C ATOM 1093 C GLY A 71 9.226 8.135 4.614 1.00 0.00 C ATOM 1094 O GLY A 71 8.733 8.375 5.715 1.00 0.00 O ATOM 0 H GLY A 71 9.498 6.412 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.159 7.220 4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.875 6.415 3.497 1.00 0.00 H new ATOM 1098 N LYS A 72 9.000 8.909 3.550 1.00 0.00 N ATOM 1099 CA LYS A 72 8.143 10.092 3.611 1.00 0.00 C ATOM 1100 C LYS A 72 7.176 10.086 2.448 1.00 0.00 C ATOM 1101 O LYS A 72 7.585 9.846 1.318 1.00 0.00 O ATOM 1102 CB LYS A 72 9.004 11.360 3.618 1.00 0.00 C ATOM 1103 CG LYS A 72 8.191 12.628 3.913 1.00 0.00 C ATOM 1104 CD LYS A 72 8.937 13.932 3.595 1.00 0.00 C ATOM 1105 CE LYS A 72 9.240 14.728 4.869 1.00 0.00 C ATOM 1106 NZ LYS A 72 10.624 14.530 5.328 1.00 0.00 N ATOM 0 H LYS A 72 9.403 8.734 2.629 1.00 0.00 H new ATOM 0 HA LYS A 72 7.561 10.076 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.790 11.256 4.366 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.495 11.466 2.651 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.268 12.599 3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.908 12.630 4.966 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.868 13.703 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.337 14.540 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.068 15.788 4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.550 14.427 5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.786 15.086 6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.782 13.522 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.284 14.842 4.587 1.00 0.00 H new ATOM 1120 N ILE A 73 5.901 10.317 2.727 1.00 0.00 N ATOM 1121 CA ILE A 73 4.832 10.465 1.752 1.00 0.00 C ATOM 1122 C ILE A 73 5.155 11.664 0.872 1.00 0.00 C ATOM 1123 O ILE A 73 5.593 12.680 1.407 1.00 0.00 O ATOM 1124 CB ILE A 73 3.508 10.682 2.503 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.262 9.635 3.616 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.324 10.751 1.521 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.536 8.184 3.233 1.00 0.00 C ATOM 0 H ILE A 73 5.569 10.411 3.687 1.00 0.00 H new ATOM 0 HA ILE A 73 4.739 9.576 1.128 1.00 0.00 H new ATOM 0 HB ILE A 73 3.591 11.644 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.886 9.889 4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.225 9.716 3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.399 10.905 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.473 11.579 0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.260 9.818 0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.331 7.538 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.893 7.900 2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.580 8.076 2.939 1.00 0.00 H new ATOM 1139 N VAL A 74 4.941 11.545 -0.443 1.00 0.00 N ATOM 1140 CA VAL A 74 5.198 12.627 -1.390 1.00 0.00 C ATOM 1141 C VAL A 74 4.260 12.591 -2.614 1.00 0.00 C ATOM 1142 O VAL A 74 4.398 13.434 -3.499 1.00 0.00 O ATOM 1143 CB VAL A 74 6.678 12.602 -1.844 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.694 12.861 -0.724 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.052 11.306 -2.586 1.00 0.00 C ATOM 0 H VAL A 74 4.584 10.694 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 74 4.992 13.560 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 74 6.743 13.442 -2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.704 12.825 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.514 13.844 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.588 12.098 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.101 11.345 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.891 10.451 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.429 11.203 -3.475 1.00 0.00 H new ATOM 1155 N GLU A 75 3.315 11.647 -2.715 1.00 0.00 N ATOM 1156 CA GLU A 75 2.175 11.776 -3.627 1.00 0.00 C ATOM 1157 C GLU A 75 1.007 10.999 -3.000 1.00 0.00 C ATOM 1158 O GLU A 75 1.256 10.039 -2.266 1.00 0.00 O ATOM 1159 CB GLU A 75 2.570 11.237 -5.023 1.00 0.00 C ATOM 1160 CG GLU A 75 1.978 12.094 -6.153 1.00 0.00 C ATOM 1161 CD GLU A 75 2.428 11.706 -7.575 1.00 0.00 C ATOM 1162 OE1 GLU A 75 3.632 11.493 -7.834 1.00 0.00 O ATOM 1163 OE2 GLU A 75 1.573 11.643 -8.493 1.00 0.00 O ATOM 0 H GLU A 75 3.320 10.783 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 75 1.874 12.814 -3.768 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.656 11.218 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.224 10.209 -5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.891 12.032 -6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.246 13.136 -5.976 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.253 11.343 -3.277 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.430 10.567 -2.854 1.00 0.00 C ATOM 1172 C VAL A 76 -2.407 10.423 -4.027 1.00 0.00 C ATOM 1173 O VAL A 76 -2.256 11.113 -5.035 1.00 0.00 O ATOM 1174 CB VAL A 76 -2.087 11.152 -1.587 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.110 11.285 -0.407 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.720 12.518 -1.836 1.00 0.00 C ATOM 0 H VAL A 76 -0.492 12.180 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.105 9.566 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.861 10.430 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.633 11.702 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.714 10.302 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.289 11.945 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.168 12.885 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.955 13.218 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.490 12.428 -2.602 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.389 9.520 -3.921 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.262 9.171 -5.039 1.00 0.00 C ATOM 1188 C ASN A 77 -5.648 9.711 -4.738 1.00 0.00 C ATOM 1189 O ASN A 77 -6.510 8.977 -4.258 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.246 7.646 -5.286 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.673 7.236 -6.694 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.710 8.038 -7.625 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -4.984 5.962 -6.875 1.00 0.00 N ATOM 0 H ASN A 77 -3.597 9.015 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.910 9.623 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.240 7.269 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.906 7.165 -4.564 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.260 5.631 -7.799 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -4.947 5.312 -6.090 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.881 10.998 -5.003 1.00 0.00 N ATOM 1201 CA GLU A 78 -7.169 11.659 -4.768 1.00 0.00 C ATOM 1202 C GLU A 78 -8.303 11.013 -5.559 1.00 0.00 C ATOM 1203 O GLU A 78 -9.477 11.197 -5.253 1.00 0.00 O ATOM 1204 CB GLU A 78 -7.077 13.145 -5.148 1.00 0.00 C ATOM 1205 CG GLU A 78 -6.259 14.010 -4.182 1.00 0.00 C ATOM 1206 CD GLU A 78 -5.845 15.327 -4.847 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -6.700 16.135 -5.261 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -4.621 15.537 -5.036 1.00 0.00 O ATOM 0 H GLU A 78 -5.172 11.620 -5.392 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.393 11.552 -3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.639 13.224 -6.143 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.086 13.552 -5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.846 14.218 -3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.371 13.465 -3.861 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.967 10.193 -6.549 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.905 9.325 -7.253 1.00 0.00 C ATOM 1217 C LYS A 79 -9.659 8.404 -6.312 1.00 0.00 C ATOM 1218 O LYS A 79 -10.803 8.067 -6.600 1.00 0.00 O ATOM 1219 CB LYS A 79 -8.155 8.486 -8.292 1.00 0.00 C ATOM 1220 CG LYS A 79 -8.026 9.246 -9.617 1.00 0.00 C ATOM 1221 CD LYS A 79 -7.448 8.343 -10.703 1.00 0.00 C ATOM 1222 CE LYS A 79 -8.455 7.311 -11.223 1.00 0.00 C ATOM 1223 NZ LYS A 79 -9.279 7.837 -12.323 1.00 0.00 N ATOM 0 H LYS A 79 -7.010 10.111 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.636 9.969 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.164 8.233 -7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.683 7.547 -8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.004 9.615 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.384 10.117 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.105 8.958 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.575 7.824 -10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.920 6.425 -11.565 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.103 6.996 -10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.944 7.103 -12.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.812 8.667 -11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.665 8.114 -13.115 1.00 0.00 H new ATOM 1237 N LEU A 80 -9.060 7.978 -5.202 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.703 7.069 -4.261 1.00 0.00 C ATOM 1239 C LEU A 80 -10.844 7.795 -3.532 1.00 0.00 C ATOM 1240 O LEU A 80 -11.719 7.123 -2.996 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.645 6.438 -3.324 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.711 5.343 -3.928 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -8.133 3.942 -3.487 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -7.663 5.278 -5.463 1.00 0.00 C ATOM 0 H LEU A 80 -8.116 8.254 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.166 6.235 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.017 7.240 -2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.167 6.003 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.732 5.642 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.461 3.205 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.087 3.873 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.153 3.747 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.984 4.483 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.661 5.074 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.309 6.231 -5.857 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.930 9.135 -3.600 1.00 0.00 N ATOM 1257 CA ASP A 81 -12.063 9.933 -3.099 1.00 0.00 C ATOM 1258 C ASP A 81 -13.317 9.747 -3.956 1.00 0.00 C ATOM 1259 O ASP A 81 -14.410 10.104 -3.521 1.00 0.00 O ATOM 1260 CB ASP A 81 -11.717 11.429 -3.103 1.00 0.00 C ATOM 1261 CG ASP A 81 -12.733 12.297 -2.347 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -12.959 12.108 -1.132 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -13.214 13.301 -2.926 1.00 0.00 O ATOM 0 H ASP A 81 -10.195 9.707 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.259 9.584 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.732 11.567 -2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.652 11.776 -4.134 1.00 0.00 H new ATOM 1268 N THR A 82 -13.181 9.218 -5.180 1.00 0.00 N ATOM 1269 CA THR A 82 -14.279 9.097 -6.141 1.00 0.00 C ATOM 1270 C THR A 82 -14.387 7.681 -6.726 1.00 0.00 C ATOM 1271 O THR A 82 -15.449 7.276 -7.208 1.00 0.00 O ATOM 1272 CB THR A 82 -14.164 10.209 -7.205 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.963 10.163 -7.966 1.00 0.00 O ATOM 1274 CG2 THR A 82 -14.264 11.594 -6.561 1.00 0.00 C ATOM 0 H THR A 82 -12.294 8.859 -5.532 1.00 0.00 H new ATOM 0 HA THR A 82 -15.226 9.246 -5.621 1.00 0.00 H new ATOM 0 HB THR A 82 -14.997 10.029 -7.885 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.340 9.527 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.180 12.360 -7.331 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.225 11.692 -6.055 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.459 11.718 -5.837 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.333 6.875 -6.612 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.322 5.442 -6.866 1.00 0.00 C ATOM 1284 C GLU A 83 -12.576 4.762 -5.706 1.00 0.00 C ATOM 1285 O GLU A 83 -11.482 4.216 -5.877 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.641 5.161 -8.197 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.463 5.481 -9.458 1.00 0.00 C ATOM 1288 CD GLU A 83 -13.672 4.253 -10.371 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -14.388 3.287 -10.003 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -13.087 4.256 -11.484 1.00 0.00 O ATOM 0 H GLU A 83 -12.419 7.225 -6.325 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.337 5.050 -6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.715 5.734 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.365 4.107 -8.226 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.435 5.875 -9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.960 6.266 -10.023 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.187 4.711 -4.517 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.756 3.822 -3.447 1.00 0.00 C ATOM 1299 C PRO A 84 -12.952 2.370 -3.897 1.00 0.00 C ATOM 1300 O PRO A 84 -12.345 1.445 -3.356 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.620 4.180 -2.236 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.867 4.835 -2.833 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.450 5.339 -4.216 1.00 0.00 C ATOM 0 HA PRO A 84 -11.701 3.932 -3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.877 3.294 -1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.098 4.861 -1.564 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.687 4.120 -2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.216 5.656 -2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.199 5.082 -4.965 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.354 6.425 -4.221 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.767 2.163 -4.936 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.004 0.874 -5.538 1.00 0.00 C ATOM 1313 C GLU A 85 -12.963 0.516 -6.593 1.00 0.00 C ATOM 1314 O GLU A 85 -12.978 -0.606 -7.097 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.414 0.801 -6.125 1.00 0.00 C ATOM 1316 CG GLU A 85 -16.499 1.221 -5.133 1.00 0.00 C ATOM 1317 CD GLU A 85 -16.264 0.714 -3.706 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -15.808 -0.437 -3.502 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -16.477 1.526 -2.787 1.00 0.00 O ATOM 0 H GLU A 85 -14.288 2.917 -5.384 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.913 0.135 -4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.468 1.441 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.610 -0.218 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.561 2.309 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.462 0.852 -5.485 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.022 1.403 -6.939 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.925 0.963 -7.802 1.00 0.00 C ATOM 1328 C LEU A 86 -10.034 -0.058 -7.114 1.00 0.00 C ATOM 1329 O LEU A 86 -9.326 -0.805 -7.792 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.086 2.119 -8.368 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.416 2.482 -9.831 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.230 3.262 -10.388 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.682 1.279 -10.748 1.00 0.00 C ATOM 0 H LEU A 86 -11.996 2.381 -6.651 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.408 0.482 -8.653 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.235 3.000 -7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.031 1.855 -8.300 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.343 3.056 -9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.429 3.536 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.078 4.165 -9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.334 2.643 -10.342 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.905 1.631 -11.755 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.800 0.639 -10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.530 0.711 -10.366 1.00 0.00 H new ATOM 1345 N ILE A 87 -10.109 -0.134 -5.790 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.470 -1.158 -4.998 1.00 0.00 C ATOM 1347 C ILE A 87 -10.054 -2.535 -5.367 1.00 0.00 C ATOM 1348 O ILE A 87 -9.320 -3.515 -5.415 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.653 -0.816 -3.505 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -9.224 0.634 -3.176 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.827 -1.786 -2.670 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -9.370 1.001 -1.695 1.00 0.00 C ATOM 0 H ILE A 87 -10.633 0.538 -5.230 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.400 -1.200 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.714 -0.905 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.185 0.772 -3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.821 1.324 -3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.950 -1.552 -1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.164 -2.806 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.775 -1.696 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.050 2.032 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.413 0.896 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.751 0.336 -1.093 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.347 -2.647 -5.695 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.880 -3.891 -6.256 1.00 0.00 C ATOM 1366 C ASN A 88 -11.262 -4.125 -7.626 1.00 0.00 C ATOM 1367 O ASN A 88 -10.829 -5.231 -7.955 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.394 -3.812 -6.493 1.00 0.00 C ATOM 1369 CG ASN A 88 -14.237 -4.158 -5.270 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.913 -5.180 -5.249 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -14.212 -3.360 -4.224 1.00 0.00 N ATOM 0 H ASN A 88 -12.034 -1.902 -5.583 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.650 -4.683 -5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.647 -2.804 -6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.659 -4.488 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.756 -3.591 -3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.648 -2.510 -4.244 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.359 -3.100 -8.474 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.171 -3.233 -9.909 1.00 0.00 C ATOM 1380 C LYS A 89 -9.747 -3.654 -10.249 1.00 0.00 C ATOM 1381 O LYS A 89 -9.568 -4.410 -11.206 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.559 -1.928 -10.599 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.629 -2.116 -11.680 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.119 -2.741 -12.989 1.00 0.00 C ATOM 1385 CE LYS A 89 -12.305 -4.264 -13.012 1.00 0.00 C ATOM 1386 NZ LYS A 89 -11.141 -4.957 -13.595 1.00 0.00 N ATOM 0 H LYS A 89 -11.572 -2.148 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.823 -4.025 -10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.925 -1.224 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.671 -1.483 -11.048 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.424 -2.745 -11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.072 -1.146 -11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.649 -2.299 -13.832 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.063 -2.503 -13.116 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.469 -4.624 -11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.198 -4.511 -13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.390 -5.947 -13.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.863 -4.485 -14.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.348 -4.928 -12.923 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.757 -3.149 -9.513 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.338 -3.419 -9.734 1.00 0.00 C ATOM 1402 C ASP A 90 -6.556 -2.832 -8.545 1.00 0.00 C ATOM 1403 O ASP A 90 -6.041 -1.710 -8.634 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.881 -2.801 -11.077 1.00 0.00 C ATOM 1405 CG ASP A 90 -6.459 -3.802 -12.151 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -5.958 -4.910 -11.842 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -6.581 -3.407 -13.331 1.00 0.00 O ATOM 0 H ASP A 90 -8.926 -2.524 -8.725 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.152 -4.491 -9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.694 -2.192 -11.472 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.045 -2.129 -10.882 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.502 -3.518 -7.395 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.823 -2.997 -6.210 1.00 0.00 C ATOM 1414 C PRO A 91 -4.306 -2.929 -6.397 1.00 0.00 C ATOM 1415 O PRO A 91 -3.625 -2.255 -5.630 1.00 0.00 O ATOM 1416 CB PRO A 91 -6.193 -3.947 -5.071 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.549 -5.249 -5.778 1.00 0.00 C ATOM 1418 CD PRO A 91 -7.059 -4.835 -7.152 1.00 0.00 C ATOM 0 HA PRO A 91 -6.136 -1.973 -6.004 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.362 -4.083 -4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -7.033 -3.566 -4.490 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.680 -5.901 -5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.310 -5.801 -5.226 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.741 -5.542 -7.918 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.148 -4.810 -7.174 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.761 -3.598 -7.415 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.347 -3.618 -7.754 1.00 0.00 C ATOM 1428 C GLU A 92 -2.196 -3.186 -9.220 1.00 0.00 C ATOM 1429 O GLU A 92 -1.449 -3.779 -10.003 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.650 -4.946 -7.374 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.361 -5.841 -6.338 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.575 -7.085 -5.879 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -0.362 -7.236 -6.176 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -2.180 -7.908 -5.148 1.00 0.00 O ATOM 0 H GLU A 92 -4.323 -4.164 -8.051 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.804 -2.896 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.511 -5.528 -8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.657 -4.710 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.593 -5.237 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.311 -6.169 -6.760 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.933 -2.135 -9.592 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.713 -1.337 -10.785 1.00 0.00 C ATOM 1443 C GLY A 93 -3.033 0.098 -10.422 1.00 0.00 C ATOM 1444 O GLY A 93 -2.247 0.802 -9.784 1.00 0.00 O ATOM 0 H GLY A 93 -3.729 -1.810 -9.043 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.681 -1.428 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.349 -1.680 -11.601 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.229 0.518 -10.809 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.681 1.887 -10.669 1.00 0.00 C ATOM 1450 C GLU A 94 -5.077 2.228 -9.234 1.00 0.00 C ATOM 1451 O GLU A 94 -4.948 3.395 -8.861 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.834 2.102 -11.658 1.00 0.00 C ATOM 1453 CG GLU A 94 -5.308 2.374 -13.058 1.00 0.00 C ATOM 1454 CD GLU A 94 -5.005 3.855 -13.344 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -5.781 4.748 -12.921 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -3.936 4.105 -13.953 1.00 0.00 O ATOM 0 H GLU A 94 -4.922 -0.097 -11.236 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.863 2.568 -10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.475 1.221 -11.672 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.449 2.939 -11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.398 1.793 -13.211 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.039 2.018 -13.784 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.495 1.255 -8.422 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.051 1.478 -7.091 1.00 0.00 C ATOM 1465 C GLY A 95 -4.987 1.612 -6.006 1.00 0.00 C ATOM 1466 O GLY A 95 -5.183 1.078 -4.917 1.00 0.00 O ATOM 0 H GLY A 95 -5.454 0.269 -8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.660 2.382 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.715 0.651 -6.839 1.00 0.00 H new ATOM 1470 N TRP A 96 -3.868 2.288 -6.280 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.869 2.598 -5.259 1.00 0.00 C ATOM 1472 C TRP A 96 -3.420 3.632 -4.271 1.00 0.00 C ATOM 1473 O TRP A 96 -4.425 4.289 -4.556 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.560 3.068 -5.906 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.605 4.319 -6.741 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.027 4.342 -8.023 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.238 5.710 -6.427 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -1.986 5.631 -8.505 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.537 6.518 -7.563 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.716 6.396 -5.307 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.384 7.909 -7.580 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.558 7.803 -5.308 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.880 8.555 -6.447 1.00 0.00 C ATOM 0 H TRP A 96 -3.632 2.633 -7.210 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.645 1.691 -4.698 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.829 3.220 -5.112 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.186 2.259 -6.533 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.349 3.478 -8.586 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.258 5.894 -9.452 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.431 5.834 -4.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.652 8.477 -8.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.187 8.301 -4.425 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.740 9.626 -6.449 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.761 3.765 -3.115 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.188 4.655 -2.038 1.00 0.00 C ATOM 1496 C LEU A 97 -2.361 5.933 -2.131 1.00 0.00 C ATOM 1497 O LEU A 97 -2.880 7.016 -2.383 1.00 0.00 O ATOM 1498 CB LEU A 97 -2.978 4.020 -0.646 1.00 0.00 C ATOM 1499 CG LEU A 97 -3.573 2.621 -0.417 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -2.523 1.769 0.303 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -4.857 2.618 0.423 1.00 0.00 C ATOM 0 H LEU A 97 -1.907 3.250 -2.902 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.253 4.855 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.906 3.967 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.400 4.693 0.100 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.839 2.224 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.922 0.770 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.626 1.699 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.272 2.231 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.214 1.595 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.650 3.044 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.621 3.214 -0.077 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.050 5.808 -1.910 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.125 6.921 -1.848 1.00 0.00 C ATOM 1515 C PHE A 98 1.252 6.486 -2.348 1.00 0.00 C ATOM 1516 O PHE A 98 1.494 5.305 -2.610 1.00 0.00 O ATOM 1517 CB PHE A 98 -0.097 7.497 -0.425 1.00 0.00 C ATOM 1518 CG PHE A 98 0.359 6.535 0.649 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.731 6.385 0.907 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.576 5.795 1.396 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.163 5.539 1.939 1.00 0.00 C ATOM 1522 CE2 PHE A 98 -0.131 4.917 2.400 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.235 4.815 2.696 1.00 0.00 C ATOM 0 H PHE A 98 -0.600 4.904 -1.767 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.457 7.723 -2.507 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.560 8.366 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.097 7.850 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.454 6.921 0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.633 5.901 1.199 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.218 5.446 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.845 4.318 2.946 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.570 4.181 3.504 1.00 0.00 H new ATOM 1533 N LYS A 99 2.171 7.439 -2.474 1.00 0.00 N ATOM 1534 CA LYS A 99 3.561 7.205 -2.826 1.00 0.00 C ATOM 1535 C LYS A 99 4.446 7.867 -1.800 1.00 0.00 C ATOM 1536 O LYS A 99 4.051 8.854 -1.172 1.00 0.00 O ATOM 1537 CB LYS A 99 3.897 7.761 -4.211 1.00 0.00 C ATOM 1538 CG LYS A 99 2.977 7.197 -5.298 1.00 0.00 C ATOM 1539 CD LYS A 99 3.620 7.208 -6.680 1.00 0.00 C ATOM 1540 CE LYS A 99 3.819 8.639 -7.167 1.00 0.00 C ATOM 1541 NZ LYS A 99 4.271 8.668 -8.564 1.00 0.00 N ATOM 0 H LYS A 99 1.958 8.426 -2.328 1.00 0.00 H new ATOM 0 HA LYS A 99 3.729 6.128 -2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.814 8.848 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.933 7.524 -4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.700 6.175 -5.039 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.056 7.779 -5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.580 6.693 -6.645 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.992 6.662 -7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.884 9.191 -7.073 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.551 9.142 -6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.219 9.642 -8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.253 8.330 -8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.661 8.053 -9.139 1.00 0.00 H new ATOM 1555 N MET A 100 5.651 7.337 -1.643 1.00 0.00 N ATOM 1556 CA MET A 100 6.570 7.792 -0.628 1.00 0.00 C ATOM 1557 C MET A 100 8.016 7.613 -1.075 1.00 0.00 C ATOM 1558 O MET A 100 8.380 6.562 -1.605 1.00 0.00 O ATOM 1559 CB MET A 100 6.293 7.081 0.704 1.00 0.00 C ATOM 1560 CG MET A 100 5.804 5.624 0.644 1.00 0.00 C ATOM 1561 SD MET A 100 5.773 4.753 2.249 1.00 0.00 S ATOM 1562 CE MET A 100 7.272 5.356 3.066 1.00 0.00 C ATOM 0 H MET A 100 6.013 6.578 -2.221 1.00 0.00 H new ATOM 0 HA MET A 100 6.413 8.860 -0.474 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.209 7.104 1.294 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.549 7.663 1.247 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.799 5.611 0.221 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.445 5.069 -0.041 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.437 4.794 3.985 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.126 5.224 2.402 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.157 6.414 3.304 1.00 0.00 H new ATOM 1572 N GLU A 101 8.835 8.636 -0.836 1.00 0.00 N ATOM 1573 CA GLU A 101 10.287 8.609 -0.923 1.00 0.00 C ATOM 1574 C GLU A 101 10.777 7.470 -0.026 1.00 0.00 C ATOM 1575 O GLU A 101 10.375 7.397 1.145 1.00 0.00 O ATOM 1576 CB GLU A 101 10.837 9.991 -0.512 1.00 0.00 C ATOM 1577 CG GLU A 101 12.371 10.081 -0.609 1.00 0.00 C ATOM 1578 CD GLU A 101 12.970 11.481 -0.367 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.258 12.465 -0.044 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.203 11.635 -0.511 1.00 0.00 O ATOM 0 H GLU A 101 8.481 9.553 -0.562 1.00 0.00 H new ATOM 0 HA GLU A 101 10.644 8.420 -1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.393 10.757 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.530 10.209 0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.805 9.390 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.676 9.741 -1.599 1.00 0.00 H new ATOM 1587 N ILE A 102 11.572 6.545 -0.578 1.00 0.00 N ATOM 1588 CA ILE A 102 12.223 5.526 0.226 1.00 0.00 C ATOM 1589 C ILE A 102 13.352 6.210 0.999 1.00 0.00 C ATOM 1590 O ILE A 102 14.141 6.950 0.410 1.00 0.00 O ATOM 1591 CB ILE A 102 12.680 4.309 -0.618 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.529 4.665 -1.858 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.461 3.472 -1.054 1.00 0.00 C ATOM 1594 CD1 ILE A 102 14.265 3.509 -2.523 1.00 0.00 C ATOM 0 H ILE A 102 11.774 6.489 -1.576 1.00 0.00 H new ATOM 0 HA ILE A 102 11.522 5.090 0.937 1.00 0.00 H new ATOM 0 HB ILE A 102 13.332 3.734 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.877 5.127 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.263 5.416 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.797 2.621 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.931 3.114 -0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.792 4.089 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.826 3.880 -3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.952 3.056 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.544 2.763 -2.857 1.00 0.00 H new ATOM 1606 N SER A 103 13.424 6.002 2.317 1.00 0.00 N ATOM 1607 CA SER A 103 14.624 6.375 3.045 1.00 0.00 C ATOM 1608 C SER A 103 15.715 5.342 2.754 1.00 0.00 C ATOM 1609 O SER A 103 16.862 5.708 2.496 1.00 0.00 O ATOM 1610 CB SER A 103 14.321 6.597 4.533 1.00 0.00 C ATOM 1611 OG SER A 103 13.843 5.453 5.217 1.00 0.00 O ATOM 0 H SER A 103 12.683 5.588 2.883 1.00 0.00 H new ATOM 0 HA SER A 103 15.004 7.338 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.228 6.946 5.026 1.00 0.00 H new ATOM 0 HB3 SER A 103 13.582 7.393 4.624 1.00 0.00 H new ATOM 0 HG SER A 103 14.590 4.847 5.403 1.00 0.00 H new ATOM 1617 N ASP A 104 15.350 4.057 2.734 1.00 0.00 N ATOM 1618 CA ASP A 104 16.275 2.948 2.887 1.00 0.00 C ATOM 1619 C ASP A 104 15.832 1.816 1.974 1.00 0.00 C ATOM 1620 O ASP A 104 15.068 0.938 2.382 1.00 0.00 O ATOM 1621 CB ASP A 104 16.323 2.497 4.356 1.00 0.00 C ATOM 1622 CG ASP A 104 16.928 3.576 5.242 1.00 0.00 C ATOM 1623 OD1 ASP A 104 18.167 3.718 5.231 1.00 0.00 O ATOM 1624 OD2 ASP A 104 16.149 4.337 5.868 1.00 0.00 O ATOM 0 H ASP A 104 14.382 3.760 2.608 1.00 0.00 H new ATOM 0 HA ASP A 104 17.282 3.256 2.607 1.00 0.00 H new ATOM 0 HB2 ASP A 104 15.316 2.262 4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.910 1.582 4.440 1.00 0.00 H new ATOM 1629 N GLU A 105 16.327 1.783 0.735 1.00 0.00 N ATOM 1630 CA GLU A 105 16.141 0.665 -0.203 1.00 0.00 C ATOM 1631 C GLU A 105 16.653 -0.676 0.386 1.00 0.00 C ATOM 1632 O GLU A 105 16.356 -1.753 -0.121 1.00 0.00 O ATOM 1633 CB GLU A 105 16.757 1.057 -1.569 1.00 0.00 C ATOM 1634 CG GLU A 105 17.652 -0.018 -2.200 1.00 0.00 C ATOM 1635 CD GLU A 105 18.305 0.434 -3.501 1.00 0.00 C ATOM 1636 OE1 GLU A 105 19.248 1.253 -3.449 1.00 0.00 O ATOM 1637 OE2 GLU A 105 17.904 -0.081 -4.577 1.00 0.00 O ATOM 0 H GLU A 105 16.880 2.546 0.344 1.00 0.00 H new ATOM 0 HA GLU A 105 15.080 0.480 -0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.950 1.291 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.342 1.968 -1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.429 -0.298 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.057 -0.911 -2.390 1.00 0.00 H new ATOM 1644 N GLY A 106 17.354 -0.624 1.512 1.00 0.00 N ATOM 1645 CA GLY A 106 17.952 -1.758 2.185 1.00 0.00 C ATOM 1646 C GLY A 106 17.017 -2.391 3.209 1.00 0.00 C ATOM 1647 O GLY A 106 17.251 -3.525 3.629 1.00 0.00 O ATOM 0 H GLY A 106 17.526 0.255 2.000 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.235 -2.507 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.868 -1.439 2.683 1.00 0.00 H new ATOM 1651 N GLU A 107 15.953 -1.700 3.612 1.00 0.00 N ATOM 1652 CA GLU A 107 14.919 -2.261 4.475 1.00 0.00 C ATOM 1653 C GLU A 107 14.009 -3.202 3.673 1.00 0.00 C ATOM 1654 O GLU A 107 13.322 -4.041 4.250 1.00 0.00 O ATOM 1655 CB GLU A 107 14.131 -1.104 5.099 1.00 0.00 C ATOM 1656 CG GLU A 107 14.966 -0.340 6.138 1.00 0.00 C ATOM 1657 CD GLU A 107 14.979 -1.066 7.478 1.00 0.00 C ATOM 1658 OE1 GLU A 107 14.066 -0.777 8.286 1.00 0.00 O ATOM 1659 OE2 GLU A 107 15.884 -1.909 7.694 1.00 0.00 O ATOM 0 H GLU A 107 15.784 -0.730 3.347 1.00 0.00 H new ATOM 0 HA GLU A 107 15.368 -2.854 5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.810 -0.418 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.229 -1.492 5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.987 -0.225 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 107 14.559 0.663 6.269 1.00 0.00 H new ATOM 1666 N LEU A 108 14.049 -3.121 2.335 1.00 0.00 N ATOM 1667 CA LEU A 108 13.263 -3.976 1.455 1.00 0.00 C ATOM 1668 C LEU A 108 13.622 -5.450 1.661 1.00 0.00 C ATOM 1669 O LEU A 108 12.776 -6.315 1.473 1.00 0.00 O ATOM 1670 CB LEU A 108 13.515 -3.611 -0.016 1.00 0.00 C ATOM 1671 CG LEU A 108 13.249 -2.176 -0.478 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.336 -2.040 -1.996 1.00 0.00 C ATOM 1673 CD2 LEU A 108 11.926 -1.636 0.016 1.00 0.00 C ATOM 0 H LEU A 108 14.635 -2.452 1.836 1.00 0.00 H new ATOM 0 HA LEU A 108 12.212 -3.821 1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.557 -3.841 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.904 -4.273 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 108 14.039 -1.574 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.141 -1.006 -2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.333 -2.326 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.596 -2.691 -2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 108 11.793 -0.615 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.115 -2.261 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 108 11.915 -1.642 1.106 1.00 0.00 H new ATOM 1685 N GLU A 109 14.854 -5.769 2.059 1.00 0.00 N ATOM 1686 CA GLU A 109 15.293 -7.153 2.260 1.00 0.00 C ATOM 1687 C GLU A 109 15.160 -7.573 3.727 1.00 0.00 C ATOM 1688 O GLU A 109 15.864 -8.456 4.227 1.00 0.00 O ATOM 1689 CB GLU A 109 16.676 -7.364 1.645 1.00 0.00 C ATOM 1690 CG GLU A 109 16.634 -7.037 0.136 1.00 0.00 C ATOM 1691 CD GLU A 109 17.419 -7.985 -0.776 1.00 0.00 C ATOM 1692 OE1 GLU A 109 17.191 -9.214 -0.718 1.00 0.00 O ATOM 1693 OE2 GLU A 109 18.164 -7.485 -1.655 1.00 0.00 O ATOM 0 H GLU A 109 15.577 -5.076 2.252 1.00 0.00 H new ATOM 0 HA GLU A 109 14.630 -7.833 1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.407 -6.728 2.144 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.997 -8.395 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.593 -7.033 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.016 -6.026 -0.008 1.00 0.00 H new ATOM 1700 N ASP A 110 14.213 -6.944 4.421 1.00 0.00 N ATOM 1701 CA ASP A 110 13.478 -7.583 5.506 1.00 0.00 C ATOM 1702 C ASP A 110 11.972 -7.704 5.203 1.00 0.00 C ATOM 1703 O ASP A 110 11.218 -8.234 6.021 1.00 0.00 O ATOM 1704 CB ASP A 110 13.747 -6.856 6.828 1.00 0.00 C ATOM 1705 CG ASP A 110 13.290 -7.703 8.016 1.00 0.00 C ATOM 1706 OD1 ASP A 110 13.963 -8.718 8.317 1.00 0.00 O ATOM 1707 OD2 ASP A 110 12.295 -7.358 8.694 1.00 0.00 O ATOM 0 H ASP A 110 13.935 -5.978 4.246 1.00 0.00 H new ATOM 0 HA ASP A 110 13.843 -8.606 5.602 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.811 -6.639 6.919 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.224 -5.899 6.835 1.00 0.00 H new ATOM 1712 N LEU A 111 11.501 -7.248 4.034 1.00 0.00 N ATOM 1713 CA LEU A 111 10.162 -7.550 3.533 1.00 0.00 C ATOM 1714 C LEU A 111 10.170 -8.891 2.814 1.00 0.00 C ATOM 1715 O LEU A 111 11.163 -9.621 2.815 1.00 0.00 O ATOM 1716 CB LEU A 111 9.653 -6.420 2.619 1.00 0.00 C ATOM 1717 CG LEU A 111 9.350 -5.091 3.327 1.00 0.00 C ATOM 1718 CD1 LEU A 111 8.458 -4.272 2.394 1.00 0.00 C ATOM 1719 CD2 LEU A 111 8.630 -5.275 4.668 1.00 0.00 C ATOM 0 H LEU A 111 12.046 -6.655 3.408 1.00 0.00 H new ATOM 0 HA LEU A 111 9.474 -7.619 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.398 -6.239 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.747 -6.761 2.117 1.00 0.00 H new ATOM 0 HG LEU A 111 10.296 -4.594 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.220 -3.317 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 111 8.981 -4.094 1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.536 -4.820 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 111 8.444 -4.300 5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.681 -5.786 4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 111 9.252 -5.871 5.336 1.00 0.00 H new ATOM 1731 N LEU A 112 9.010 -9.247 2.271 1.00 0.00 N ATOM 1732 CA LEU A 112 8.744 -10.531 1.660 1.00 0.00 C ATOM 1733 C LEU A 112 9.069 -10.413 0.177 1.00 0.00 C ATOM 1734 O LEU A 112 8.572 -9.501 -0.499 1.00 0.00 O ATOM 1735 CB LEU A 112 7.268 -10.903 1.877 1.00 0.00 C ATOM 1736 CG LEU A 112 6.846 -10.899 3.364 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.324 -10.888 3.473 1.00 0.00 C ATOM 1738 CD2 LEU A 112 7.418 -12.084 4.146 1.00 0.00 C ATOM 0 H LEU A 112 8.205 -8.622 2.247 1.00 0.00 H new ATOM 0 HA LEU A 112 9.355 -11.316 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.640 -10.202 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.085 -11.892 1.458 1.00 0.00 H new ATOM 0 HG LEU A 112 7.258 -9.994 3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.034 -10.885 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.931 -9.996 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.918 -11.775 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 112 7.088 -12.028 5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 112 7.067 -13.016 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.507 -12.053 4.109 1.00 0.00 H new ATOM 1750 N ASP A 113 9.891 -11.338 -0.317 1.00 0.00 N ATOM 1751 CA ASP A 113 9.994 -11.643 -1.742 1.00 0.00 C ATOM 1752 C ASP A 113 8.675 -12.250 -2.231 1.00 0.00 C ATOM 1753 O ASP A 113 7.722 -12.445 -1.480 1.00 0.00 O ATOM 1754 CB ASP A 113 11.169 -12.597 -2.027 1.00 0.00 C ATOM 1755 CG ASP A 113 12.423 -11.861 -2.484 1.00 0.00 C ATOM 1756 OD1 ASP A 113 12.431 -11.421 -3.657 1.00 0.00 O ATOM 1757 OD2 ASP A 113 13.380 -11.722 -1.688 1.00 0.00 O ATOM 0 H ASP A 113 10.509 -11.901 0.267 1.00 0.00 H new ATOM 0 HA ASP A 113 10.187 -10.717 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 113 11.395 -13.168 -1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.873 -13.314 -2.793 1.00 0.00 H new ATOM 1762 N GLU A 114 8.603 -12.549 -3.522 1.00 0.00 N ATOM 1763 CA GLU A 114 7.383 -12.965 -4.201 1.00 0.00 C ATOM 1764 C GLU A 114 6.935 -14.350 -3.769 1.00 0.00 C ATOM 1765 O GLU A 114 5.768 -14.506 -3.432 1.00 0.00 O ATOM 1766 CB GLU A 114 7.538 -12.895 -5.725 1.00 0.00 C ATOM 1767 CG GLU A 114 6.156 -13.056 -6.399 1.00 0.00 C ATOM 1768 CD GLU A 114 6.019 -12.435 -7.799 1.00 0.00 C ATOM 1769 OE1 GLU A 114 7.034 -12.080 -8.449 1.00 0.00 O ATOM 1770 OE2 GLU A 114 4.867 -12.189 -8.221 1.00 0.00 O ATOM 0 H GLU A 114 9.412 -12.508 -4.141 1.00 0.00 H new ATOM 0 HA GLU A 114 6.604 -12.262 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.984 -11.942 -6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 114 8.214 -13.679 -6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.929 -14.120 -6.470 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.402 -12.612 -5.749 1.00 0.00 H new ATOM 1777 N GLN A 115 7.824 -15.346 -3.768 1.00 0.00 N ATOM 1778 CA GLN A 115 7.529 -16.689 -3.325 1.00 0.00 C ATOM 1779 C GLN A 115 7.097 -16.647 -1.852 1.00 0.00 C ATOM 1780 O GLN A 115 6.085 -17.241 -1.477 1.00 0.00 O ATOM 1781 CB GLN A 115 8.805 -17.495 -3.605 1.00 0.00 C ATOM 1782 CG GLN A 115 8.783 -18.906 -3.051 1.00 0.00 C ATOM 1783 CD GLN A 115 10.121 -19.630 -3.236 1.00 0.00 C ATOM 1784 OE1 GLN A 115 10.742 -19.612 -4.304 1.00 0.00 O ATOM 1785 NE2 GLN A 115 10.604 -20.278 -2.193 1.00 0.00 N ATOM 0 H GLN A 115 8.787 -15.227 -4.084 1.00 0.00 H new ATOM 0 HA GLN A 115 6.697 -17.165 -3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.962 -17.542 -4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.657 -16.964 -3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 115 8.535 -18.872 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.995 -19.474 -3.545 1.00 0.00 H new ATOM 0 HE21 GLN A 115 10.086 -20.289 -1.314 1.00 0.00 H new ATOM 0 HE22 GLN A 115 11.496 -20.768 -2.265 1.00 0.00 H new ATOM 1794 N ALA A 116 7.824 -15.878 -1.034 1.00 0.00 N ATOM 1795 CA ALA A 116 7.506 -15.692 0.379 1.00 0.00 C ATOM 1796 C ALA A 116 6.133 -15.028 0.555 1.00 0.00 C ATOM 1797 O ALA A 116 5.391 -15.377 1.474 1.00 0.00 O ATOM 1798 CB ALA A 116 8.606 -14.862 1.053 1.00 0.00 C ATOM 0 H ALA A 116 8.652 -15.367 -1.338 1.00 0.00 H new ATOM 0 HA ALA A 116 7.459 -16.670 0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.365 -14.726 2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.560 -15.381 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.676 -13.888 0.568 1.00 0.00 H new ATOM 1804 N TYR A 117 5.775 -14.062 -0.296 1.00 0.00 N ATOM 1805 CA TYR A 117 4.451 -13.452 -0.269 1.00 0.00 C ATOM 1806 C TYR A 117 3.377 -14.445 -0.720 1.00 0.00 C ATOM 1807 O TYR A 117 2.313 -14.496 -0.105 1.00 0.00 O ATOM 1808 CB TYR A 117 4.439 -12.185 -1.128 1.00 0.00 C ATOM 1809 CG TYR A 117 3.052 -11.681 -1.474 1.00 0.00 C ATOM 1810 CD1 TYR A 117 2.207 -11.154 -0.477 1.00 0.00 C ATOM 1811 CD2 TYR A 117 2.593 -11.779 -2.801 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.903 -10.735 -0.804 1.00 0.00 C ATOM 1813 CE2 TYR A 117 1.300 -11.347 -3.140 1.00 0.00 C ATOM 1814 CZ TYR A 117 0.449 -10.832 -2.139 1.00 0.00 C ATOM 1815 OH TYR A 117 -0.816 -10.451 -2.447 1.00 0.00 O ATOM 0 H TYR A 117 6.392 -13.686 -1.016 1.00 0.00 H new ATOM 0 HA TYR A 117 4.218 -13.171 0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.978 -11.398 -0.601 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.983 -12.381 -2.052 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.560 -11.071 0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 117 3.239 -12.189 -3.563 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.252 -10.341 -0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.959 -11.409 -4.163 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.440 -11.171 -2.218 1.00 0.00 H new ATOM 1825 N GLN A 118 3.642 -15.235 -1.765 1.00 0.00 N ATOM 1826 CA GLN A 118 2.749 -16.256 -2.309 1.00 0.00 C ATOM 1827 C GLN A 118 2.308 -17.206 -1.201 1.00 0.00 C ATOM 1828 O GLN A 118 1.125 -17.531 -1.106 1.00 0.00 O ATOM 1829 CB GLN A 118 3.429 -16.967 -3.504 1.00 0.00 C ATOM 1830 CG GLN A 118 3.557 -18.495 -3.441 1.00 0.00 C ATOM 1831 CD GLN A 118 4.241 -19.034 -4.695 1.00 0.00 C ATOM 1832 OE1 GLN A 118 5.455 -18.946 -4.843 1.00 0.00 O ATOM 1833 NE2 GLN A 118 3.513 -19.617 -5.630 1.00 0.00 N ATOM 0 H GLN A 118 4.523 -15.176 -2.275 1.00 0.00 H new ATOM 0 HA GLN A 118 1.840 -15.798 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.873 -16.713 -4.407 1.00 0.00 H new ATOM 0 HB3 GLN A 118 4.430 -16.550 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.129 -18.780 -2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.569 -18.943 -3.339 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.502 -19.695 -5.515 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.961 -19.990 -6.467 1.00 0.00 H new ATOM 1842 N GLU A 119 3.246 -17.628 -0.352 1.00 0.00 N ATOM 1843 CA GLU A 119 2.983 -18.463 0.792 1.00 0.00 C ATOM 1844 C GLU A 119 1.870 -17.862 1.648 1.00 0.00 C ATOM 1845 O GLU A 119 0.852 -18.518 1.876 1.00 0.00 O ATOM 1846 CB GLU A 119 4.288 -18.645 1.582 1.00 0.00 C ATOM 1847 CG GLU A 119 4.152 -19.821 2.542 1.00 0.00 C ATOM 1848 CD GLU A 119 5.231 -19.796 3.624 1.00 0.00 C ATOM 1849 OE1 GLU A 119 5.052 -19.082 4.633 1.00 0.00 O ATOM 1850 OE2 GLU A 119 6.257 -20.500 3.480 1.00 0.00 O ATOM 0 H GLU A 119 4.231 -17.385 -0.455 1.00 0.00 H new ATOM 0 HA GLU A 119 2.635 -19.444 0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.118 -18.818 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.517 -17.735 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 119 3.168 -19.797 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 119 4.218 -20.755 1.984 1.00 0.00 H new ATOM 1857 N PHE A 120 2.044 -16.615 2.098 1.00 0.00 N ATOM 1858 CA PHE A 120 1.078 -15.952 2.963 1.00 0.00 C ATOM 1859 C PHE A 120 -0.237 -15.718 2.210 1.00 0.00 C ATOM 1860 O PHE A 120 -1.307 -16.034 2.723 1.00 0.00 O ATOM 1861 CB PHE A 120 1.666 -14.652 3.550 1.00 0.00 C ATOM 1862 CG PHE A 120 0.995 -14.104 4.805 1.00 0.00 C ATOM 1863 CD1 PHE A 120 -0.156 -14.715 5.357 1.00 0.00 C ATOM 1864 CD2 PHE A 120 1.539 -12.974 5.455 1.00 0.00 C ATOM 1865 CE1 PHE A 120 -0.777 -14.201 6.502 1.00 0.00 C ATOM 1866 CE2 PHE A 120 0.903 -12.481 6.602 1.00 0.00 C ATOM 1867 CZ PHE A 120 -0.246 -13.070 7.124 1.00 0.00 C ATOM 0 H PHE A 120 2.858 -16.043 1.871 1.00 0.00 H new ATOM 0 HA PHE A 120 0.854 -16.601 3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 120 2.718 -14.825 3.775 1.00 0.00 H new ATOM 0 HB3 PHE A 120 1.627 -13.882 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -0.564 -15.597 4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 120 2.430 -12.498 5.074 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -1.661 -14.676 6.901 1.00 0.00 H new ATOM 0 HE2 PHE A 120 1.317 -11.616 7.098 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.721 -12.656 8.001 1.00 0.00 H new ATOM 1877 N CYS A 121 -0.191 -15.216 0.976 1.00 0.00 N ATOM 1878 CA CYS A 121 -1.397 -14.891 0.225 1.00 0.00 C ATOM 1879 C CYS A 121 -2.231 -16.128 -0.139 1.00 0.00 C ATOM 1880 O CYS A 121 -3.395 -15.971 -0.501 1.00 0.00 O ATOM 1881 CB CYS A 121 -1.037 -14.083 -1.028 1.00 0.00 C ATOM 1882 SG CYS A 121 -2.491 -13.115 -1.522 1.00 0.00 S ATOM 0 H CYS A 121 0.677 -15.026 0.475 1.00 0.00 H new ATOM 0 HA CYS A 121 -2.025 -14.284 0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -0.193 -13.423 -0.825 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -0.733 -14.750 -1.835 1.00 0.00 H new ATOM 0 HG CYS A 121 -3.566 -13.824 -1.342 1.00 0.00 H new ATOM 1888 N ALA A 122 -1.685 -17.335 -0.014 1.00 0.00 N ATOM 1889 CA ALA A 122 -2.385 -18.596 -0.204 1.00 0.00 C ATOM 1890 C ALA A 122 -2.482 -19.376 1.109 1.00 0.00 C ATOM 1891 O ALA A 122 -2.682 -20.589 1.082 1.00 0.00 O ATOM 1892 CB ALA A 122 -1.656 -19.400 -1.278 1.00 0.00 C ATOM 0 H ALA A 122 -0.703 -17.463 0.232 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.407 -18.403 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.169 -20.349 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.647 -18.836 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.631 -19.589 -0.958 1.00 0.00 H new ATOM 1898 N GLN A 123 -2.234 -18.743 2.255 1.00 0.00 N ATOM 1899 CA GLN A 123 -2.497 -19.317 3.569 1.00 0.00 C ATOM 1900 C GLN A 123 -3.776 -18.739 4.184 1.00 0.00 C ATOM 1901 O GLN A 123 -4.154 -19.159 5.275 1.00 0.00 O ATOM 1902 CB GLN A 123 -1.295 -19.059 4.502 1.00 0.00 C ATOM 1903 CG GLN A 123 -0.202 -20.130 4.360 1.00 0.00 C ATOM 1904 CD GLN A 123 -0.120 -21.099 5.533 1.00 0.00 C ATOM 1905 OE1 GLN A 123 0.979 -21.433 5.967 1.00 0.00 O ATOM 1906 NE2 GLN A 123 -1.233 -21.599 6.048 1.00 0.00 N ATOM 0 H GLN A 123 -1.839 -17.803 2.295 1.00 0.00 H new ATOM 0 HA GLN A 123 -2.640 -20.391 3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -0.871 -18.080 4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -1.640 -19.031 5.535 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -0.382 -20.697 3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.762 -19.636 4.244 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -2.140 -21.313 5.678 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -1.184 -22.270 6.815 1.00 0.00 H new ATOM 1915 N GLU A 124 -4.420 -17.767 3.533 1.00 0.00 N ATOM 1916 CA GLU A 124 -5.470 -16.937 4.102 1.00 0.00 C ATOM 1917 C GLU A 124 -6.506 -16.639 3.026 1.00 0.00 C ATOM 1918 O GLU A 124 -7.633 -16.236 3.378 1.00 0.00 O ATOM 1919 CB GLU A 124 -4.813 -15.659 4.662 1.00 0.00 C ATOM 1920 CG GLU A 124 -5.698 -14.956 5.702 1.00 0.00 C ATOM 1921 CD GLU A 124 -5.061 -13.712 6.339 1.00 0.00 C ATOM 1922 OE1 GLU A 124 -3.874 -13.415 6.108 1.00 0.00 O ATOM 1923 OE2 GLU A 124 -5.762 -12.993 7.087 1.00 0.00 O ATOM 0 H GLU A 124 -4.213 -17.533 2.562 1.00 0.00 H new ATOM 0 HA GLU A 124 -5.989 -17.441 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.856 -15.914 5.116 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -4.604 -14.972 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -6.636 -14.667 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -5.946 -15.667 6.490 1.00 0.00 H new TER 1930 GLU A 124