USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 163:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 138:sc= 1.09 USER MOD Set 3.1: A 7 THR OG1 : rot 118:sc= 0.26 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.193 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.00581) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.25 (180deg=1.22) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.06 (180deg=-0.124!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0122 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0503 X(o=-0.05,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= 2.02 (180deg=1.57) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= 0.255 K(o=0.25,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.546 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 1.09 (180deg=1.08) USER MOD Single : A 65 SER OG : rot 87:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.752 -7.244 -5.299 1.00 9.67 N ATOM 2 CA MET A 1 10.798 -7.170 -3.859 1.00 10.38 C ATOM 3 C MET A 1 9.494 -7.723 -3.404 1.00 9.62 C ATOM 4 O MET A 1 8.484 -7.627 -4.090 1.00 9.62 O ATOM 5 CB MET A 1 11.010 -5.746 -3.402 1.00 13.77 C ATOM 6 CG MET A 1 11.023 -5.486 -1.843 1.00 16.29 C ATOM 7 SD MET A 1 11.654 -3.843 -1.462 1.00 17.17 S ATOM 8 CE MET A 1 10.128 -2.923 -1.549 1.00 16.11 C ATOM 0 H1 MET A 1 11.646 -6.887 -5.694 1.00 9.67 H new ATOM 0 H2 MET A 1 10.615 -8.233 -5.592 1.00 9.67 H new ATOM 0 H3 MET A 1 9.963 -6.666 -5.651 1.00 9.67 H new ATOM 0 HA MET A 1 11.630 -7.733 -3.437 1.00 10.38 H new ATOM 0 HB2 MET A 1 11.958 -5.397 -3.811 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.226 -5.129 -3.842 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.014 -5.592 -1.446 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.640 -6.238 -1.351 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.332 -1.864 -1.391 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.674 -3.063 -2.530 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.444 -3.279 -0.779 1.00 16.11 H new ATOM 20 N GLN A 2 9.434 -8.351 -2.195 1.00 9.27 N ATOM 21 CA GLN A 2 8.173 -8.680 -1.525 1.00 9.07 C ATOM 22 C GLN A 2 8.003 -7.741 -0.316 1.00 8.72 C ATOM 23 O GLN A 2 8.898 -7.441 0.408 1.00 8.22 O ATOM 24 CB GLN A 2 8.135 -10.193 -0.952 1.00 14.46 C ATOM 25 CG GLN A 2 8.491 -11.258 -1.961 1.00 17.01 C ATOM 26 CD GLN A 2 8.431 -12.605 -1.273 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.121 -12.889 -0.288 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.601 -13.540 -1.699 1.00 19.49 N ATOM 0 H GLN A 2 10.262 -8.636 -1.672 1.00 9.27 H new ATOM 0 HA GLN A 2 7.382 -8.570 -2.267 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.823 -10.265 -0.109 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.136 -10.396 -0.566 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.799 -11.230 -2.802 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.489 -11.081 -2.363 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.006 -13.363 -2.508 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.555 -14.439 -1.219 1.00 19.49 H new ATOM 37 N ILE A 3 6.742 -7.437 -0.022 1.00 5.87 N ATOM 38 CA ILE A 3 6.264 -6.747 1.234 1.00 5.07 C ATOM 39 C ILE A 3 5.002 -7.457 1.612 1.00 4.01 C ATOM 40 O ILE A 3 4.309 -8.074 0.787 1.00 4.61 O ATOM 41 CB ILE A 3 6.155 -5.214 1.083 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.317 -5.013 -0.205 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.579 -4.555 1.046 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.115 -3.549 -0.539 1.00 10.83 C ATOM 0 H ILE A 3 5.975 -7.661 -0.657 1.00 5.87 H new ATOM 0 HA ILE A 3 6.984 -6.821 2.049 1.00 5.07 H new ATOM 0 HB ILE A 3 5.669 -4.721 1.925 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.814 -5.508 -1.039 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.346 -5.492 -0.082 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.477 -3.475 0.939 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.108 -4.780 1.972 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.142 -4.952 0.201 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.522 -3.462 -1.449 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.594 -3.057 0.282 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.084 -3.073 -0.690 1.00 10.83 H new ATOM 56 N PHE A 4 4.631 -7.191 2.872 1.00 4.55 N ATOM 57 CA PHE A 4 3.446 -7.684 3.487 1.00 4.68 C ATOM 58 C PHE A 4 2.481 -6.529 3.700 1.00 5.30 C ATOM 59 O PHE A 4 2.860 -5.520 4.277 1.00 5.58 O ATOM 60 CB PHE A 4 3.652 -8.504 4.817 1.00 4.83 C ATOM 61 CG PHE A 4 4.628 -9.635 4.533 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.438 -10.571 3.417 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.821 -9.681 5.274 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.407 -11.543 3.185 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.788 -10.634 4.962 1.00 10.61 C ATOM 66 CZ PHE A 4 6.580 -11.522 3.935 1.00 8.90 C ATOM 0 H PHE A 4 5.186 -6.602 3.493 1.00 4.55 H new ATOM 0 HA PHE A 4 3.034 -8.419 2.795 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.038 -7.858 5.606 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.700 -8.903 5.169 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.562 -10.506 2.788 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.987 -8.982 6.080 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.251 -12.303 2.434 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.705 -10.675 5.530 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.358 -12.233 3.700 1.00 8.90 H new ATOM 76 N VAL A 5 1.203 -6.669 3.279 1.00 4.44 N ATOM 77 CA VAL A 5 0.195 -5.769 3.462 1.00 3.87 C ATOM 78 C VAL A 5 -0.840 -6.460 4.297 1.00 4.93 C ATOM 79 O VAL A 5 -1.184 -7.601 4.058 1.00 6.84 O ATOM 80 CB VAL A 5 -0.301 -5.276 2.065 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.625 -4.563 2.239 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.827 -4.371 1.477 1.00 9.13 C ATOM 0 H VAL A 5 0.894 -7.498 2.772 1.00 4.44 H new ATOM 0 HA VAL A 5 0.497 -4.865 3.991 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.484 -6.090 1.364 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.981 -4.214 1.269 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.355 -5.250 2.668 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.494 -3.710 2.905 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.524 -4.002 0.497 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.001 -3.527 2.145 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.744 -4.951 1.378 1.00 9.13 H new ATOM 92 N LYS A 6 -1.208 -5.742 5.436 1.00 6.04 N ATOM 93 CA LYS A 6 -2.012 -6.344 6.470 1.00 6.12 C ATOM 94 C LYS A 6 -3.343 -5.646 6.385 1.00 6.57 C ATOM 95 O LYS A 6 -3.495 -4.430 6.665 1.00 5.76 O ATOM 96 CB LYS A 6 -1.564 -6.203 7.958 1.00 7.45 C ATOM 97 CG LYS A 6 -0.176 -6.832 8.090 1.00 11.12 C ATOM 98 CD LYS A 6 -0.148 -8.364 7.979 1.00 14.54 C ATOM 99 CE LYS A 6 1.213 -8.958 8.239 1.00 18.84 C ATOM 100 NZ LYS A 6 1.106 -10.433 8.320 1.00 20.55 N ATOM 0 H LYS A 6 -0.944 -4.773 5.613 1.00 6.04 H new ATOM 0 HA LYS A 6 -1.969 -7.415 6.272 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.537 -5.153 8.251 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.273 -6.701 8.619 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.471 -6.414 7.319 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.248 -6.544 9.052 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.862 -8.785 8.687 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.479 -8.655 6.982 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.902 -8.677 7.442 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.622 -8.562 9.168 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.050 -10.856 8.210 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.711 -10.702 9.244 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.482 -10.778 7.563 1.00 20.55 H new ATOM 114 N THR A 7 -4.416 -6.361 6.027 1.00 7.41 N ATOM 115 CA THR A 7 -5.752 -5.807 6.174 1.00 7.48 C ATOM 116 C THR A 7 -6.205 -5.673 7.575 1.00 8.75 C ATOM 117 O THR A 7 -5.678 -6.462 8.393 1.00 8.58 O ATOM 118 CB THR A 7 -6.804 -6.520 5.307 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.305 -7.750 5.728 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.367 -6.623 3.861 1.00 9.17 C ATOM 0 H THR A 7 -4.381 -7.305 5.642 1.00 7.41 H new ATOM 0 HA THR A 7 -5.656 -4.790 5.793 1.00 7.48 H new ATOM 0 HB THR A 7 -7.652 -5.846 5.430 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.270 -7.675 5.881 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.138 -7.133 3.283 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.212 -5.623 3.456 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.436 -7.187 3.801 1.00 9.17 H new ATOM 128 N LEU A 8 -7.114 -4.758 7.905 1.00 9.84 N ATOM 129 CA LEU A 8 -7.572 -4.819 9.273 1.00 14.15 C ATOM 130 C LEU A 8 -8.564 -5.967 9.535 1.00 17.37 C ATOM 131 O LEU A 8 -8.911 -6.265 10.673 1.00 17.01 O ATOM 132 CB LEU A 8 -8.359 -3.492 9.621 1.00 16.63 C ATOM 133 CG LEU A 8 -7.581 -2.185 9.340 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.397 -1.181 10.041 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.110 -2.102 9.884 1.00 18.59 C ATOM 0 H LEU A 8 -7.511 -4.035 7.305 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.677 -4.966 9.878 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.287 -3.476 9.050 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.634 -3.515 10.675 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.451 -2.067 8.264 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.947 -0.196 9.918 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.404 -1.175 9.624 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.445 -1.428 11.102 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.678 -1.137 9.620 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -6.116 -2.212 10.968 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.513 -2.900 9.442 1.00 18.59 H new ATOM 147 N THR A 9 -8.983 -6.708 8.505 1.00 18.33 N ATOM 148 CA THR A 9 -9.887 -7.770 8.535 1.00 19.24 C ATOM 149 C THR A 9 -9.298 -9.180 8.504 1.00 19.48 C ATOM 150 O THR A 9 -9.971 -10.177 8.140 1.00 23.14 O ATOM 151 CB THR A 9 -10.941 -7.603 7.445 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.366 -7.270 6.143 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.928 -6.479 7.879 1.00 19.70 C ATOM 0 H THR A 9 -8.643 -6.531 7.560 1.00 18.33 H new ATOM 0 HA THR A 9 -10.336 -7.702 9.526 1.00 19.24 H new ATOM 0 HB THR A 9 -11.453 -8.558 7.328 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.084 -7.176 5.483 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.689 -6.346 7.110 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.406 -6.757 8.818 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.381 -5.546 8.013 1.00 19.70 H new ATOM 161 N GLY A 10 -7.999 -9.278 8.902 1.00 19.43 N ATOM 162 CA GLY A 10 -7.291 -10.489 9.239 1.00 18.74 C ATOM 163 C GLY A 10 -6.758 -11.265 8.055 1.00 17.62 C ATOM 164 O GLY A 10 -6.547 -12.503 8.087 1.00 19.74 O ATOM 0 H GLY A 10 -7.408 -8.452 8.993 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.457 -10.235 9.894 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.958 -11.136 9.809 1.00 18.74 H new ATOM 168 N LYS A 11 -6.345 -10.494 6.978 1.00 13.56 N ATOM 169 CA LYS A 11 -5.759 -11.084 5.820 1.00 11.91 C ATOM 170 C LYS A 11 -4.471 -10.408 5.518 1.00 10.18 C ATOM 171 O LYS A 11 -4.337 -9.180 5.608 1.00 9.10 O ATOM 172 CB LYS A 11 -6.662 -11.034 4.568 1.00 13.43 C ATOM 173 CG LYS A 11 -6.267 -11.746 3.327 1.00 16.69 C ATOM 174 CD LYS A 11 -7.243 -11.452 2.201 1.00 17.92 C ATOM 175 CE LYS A 11 -7.009 -12.296 0.944 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.117 -12.276 -0.053 1.00 21.93 N ATOM 0 H LYS A 11 -6.429 -9.478 6.938 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.609 -12.138 6.056 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.640 -11.416 4.861 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.795 -9.984 4.308 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.263 -11.442 3.032 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.233 -12.819 3.514 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.258 -11.623 2.559 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.172 -10.397 1.937 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.098 -11.948 0.457 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.834 -13.328 1.247 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.741 -12.509 -0.994 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.838 -12.976 0.215 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.546 -11.329 -0.076 1.00 21.93 H new ATOM 190 N THR A 12 -3.476 -11.248 5.232 1.00 9.63 N ATOM 191 CA THR A 12 -2.174 -10.793 4.728 1.00 9.85 C ATOM 192 C THR A 12 -2.169 -10.913 3.247 1.00 11.66 C ATOM 193 O THR A 12 -2.361 -12.003 2.707 1.00 12.33 O ATOM 194 CB THR A 12 -1.046 -11.543 5.315 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.915 -11.295 6.678 1.00 10.91 O ATOM 196 CG2 THR A 12 0.238 -11.069 4.650 1.00 9.63 C ATOM 0 H THR A 12 -3.546 -12.260 5.342 1.00 9.63 H new ATOM 0 HA THR A 12 -2.036 -9.753 5.024 1.00 9.85 H new ATOM 0 HB THR A 12 -1.231 -12.606 5.161 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.725 -12.135 7.147 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.086 -11.611 5.069 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.182 -11.255 3.577 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.366 -10.001 4.827 1.00 9.63 H new ATOM 204 N ILE A 13 -1.874 -9.805 2.511 1.00 10.42 N ATOM 205 CA ILE A 13 -1.737 -9.807 1.105 1.00 11.84 C ATOM 206 C ILE A 13 -0.241 -9.601 0.917 1.00 10.55 C ATOM 207 O ILE A 13 0.389 -8.730 1.547 1.00 11.92 O ATOM 208 CB ILE A 13 -2.519 -8.619 0.463 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.898 -8.324 1.076 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.738 -9.033 -0.978 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.594 -7.090 0.553 1.00 16.46 C ATOM 0 H ILE A 13 -1.730 -8.886 2.930 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.125 -10.713 0.640 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.936 -7.710 0.615 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.544 -9.185 0.903 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.782 -8.224 2.155 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.284 -8.249 -1.503 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.774 -9.190 -1.462 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.314 -9.958 -1.007 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.557 -6.976 1.052 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.977 -6.213 0.750 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.751 -7.189 -0.521 1.00 16.46 H new ATOM 223 N THR A 14 0.444 -10.414 0.077 1.00 9.39 N ATOM 224 CA THR A 14 1.899 -10.467 -0.162 1.00 9.63 C ATOM 225 C THR A 14 2.052 -10.059 -1.562 1.00 11.20 C ATOM 226 O THR A 14 1.730 -10.850 -2.448 1.00 11.63 O ATOM 227 CB THR A 14 2.448 -11.893 -0.039 1.00 10.38 C ATOM 228 OG1 THR A 14 2.121 -12.422 1.261 1.00 16.30 O ATOM 229 CG2 THR A 14 3.888 -11.929 -0.138 1.00 11.66 C ATOM 0 H THR A 14 -0.049 -11.101 -0.493 1.00 9.39 H new ATOM 0 HA THR A 14 2.429 -9.844 0.559 1.00 9.63 H new ATOM 0 HB THR A 14 2.005 -12.472 -0.849 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.470 -13.334 1.340 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.233 -12.959 -0.046 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.196 -11.528 -1.104 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.323 -11.327 0.660 1.00 11.66 H new ATOM 237 N LEU A 15 2.611 -8.853 -1.709 1.00 8.29 N ATOM 238 CA LEU A 15 2.739 -8.188 -2.979 1.00 9.03 C ATOM 239 C LEU A 15 4.122 -8.359 -3.497 1.00 8.59 C ATOM 240 O LEU A 15 5.131 -8.483 -2.780 1.00 7.79 O ATOM 241 CB LEU A 15 2.394 -6.692 -2.920 1.00 11.08 C ATOM 242 CG LEU A 15 1.012 -6.421 -2.322 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.770 -4.937 -2.085 1.00 15.88 C ATOM 244 CD2 LEU A 15 -0.193 -6.920 -3.213 1.00 15.27 C ATOM 0 H LEU A 15 2.988 -8.316 -0.928 1.00 8.29 H new ATOM 0 HA LEU A 15 2.016 -8.653 -3.650 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.148 -6.174 -2.328 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.437 -6.275 -3.926 1.00 11.08 H new ATOM 0 HG LEU A 15 1.034 -6.984 -1.389 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.223 -4.794 -1.660 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.520 -4.552 -1.394 1.00 15.88 H new ATOM 0 HD13 LEU A 15 0.840 -4.401 -3.032 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -1.134 -6.688 -2.715 1.00 15.27 H new ATOM 0 HD22 LEU A 15 -0.162 -6.419 -4.181 1.00 15.27 H new ATOM 0 HD23 LEU A 15 -0.116 -7.997 -3.359 1.00 15.27 H new ATOM 256 N GLU A 16 4.256 -8.306 -4.817 1.00 11.04 N ATOM 257 CA GLU A 16 5.531 -8.211 -5.481 1.00 11.50 C ATOM 258 C GLU A 16 5.698 -6.859 -6.142 1.00 10.13 C ATOM 259 O GLU A 16 4.897 -6.413 -6.969 1.00 9.83 O ATOM 260 CB GLU A 16 5.755 -9.245 -6.613 1.00 17.22 C ATOM 261 CG GLU A 16 6.436 -10.596 -6.122 1.00 23.33 C ATOM 262 CD GLU A 16 7.131 -11.368 -7.209 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.348 -11.105 -7.572 1.00 28.86 O ATOM 264 OE2 GLU A 16 6.474 -12.292 -7.820 1.00 28.90 O ATOM 0 H GLU A 16 3.463 -8.329 -5.458 1.00 11.04 H new ATOM 0 HA GLU A 16 6.247 -8.392 -4.679 1.00 11.50 H new ATOM 0 HB2 GLU A 16 4.795 -9.479 -7.074 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.378 -8.795 -7.386 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.158 -10.362 -5.340 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.673 -11.231 -5.672 1.00 23.33 H new ATOM 271 N VAL A 17 6.689 -6.091 -5.662 1.00 8.99 N ATOM 272 CA VAL A 17 6.806 -4.688 -6.000 1.00 8.85 C ATOM 273 C VAL A 17 8.288 -4.336 -6.289 1.00 8.04 C ATOM 274 O VAL A 17 9.180 -5.077 -5.862 1.00 8.99 O ATOM 275 CB VAL A 17 6.322 -3.801 -4.855 1.00 9.78 C ATOM 276 CG1 VAL A 17 4.744 -3.720 -4.773 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.859 -4.373 -3.544 1.00 10.54 C ATOM 0 H VAL A 17 7.418 -6.433 -5.036 1.00 8.99 H new ATOM 0 HA VAL A 17 6.189 -4.510 -6.881 1.00 8.85 H new ATOM 0 HB VAL A 17 6.690 -2.791 -5.034 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.455 -3.077 -3.942 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.352 -3.309 -5.703 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.336 -4.719 -4.618 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.524 -3.753 -2.712 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.488 -5.389 -3.411 1.00 10.54 H new ATOM 0 HG23 VAL A 17 7.949 -4.385 -3.572 1.00 10.54 H new ATOM 287 N GLU A 18 8.659 -3.200 -6.892 1.00 7.29 N ATOM 288 CA GLU A 18 10.014 -2.581 -6.818 1.00 7.08 C ATOM 289 C GLU A 18 10.063 -1.529 -5.711 1.00 6.45 C ATOM 290 O GLU A 18 9.039 -0.953 -5.317 1.00 5.28 O ATOM 291 CB GLU A 18 10.370 -1.909 -8.191 1.00 10.28 C ATOM 292 CG GLU A 18 10.257 -2.837 -9.409 1.00 12.65 C ATOM 293 CD GLU A 18 10.680 -2.161 -10.752 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.227 -1.047 -11.045 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.535 -2.791 -11.408 1.00 14.33 O ATOM 0 H GLU A 18 8.013 -2.659 -7.467 1.00 7.29 H new ATOM 0 HA GLU A 18 10.739 -3.364 -6.595 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.713 -1.053 -8.342 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.388 -1.524 -8.138 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.878 -3.717 -9.244 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.228 -3.185 -9.496 1.00 12.65 H new ATOM 302 N PRO A 19 11.221 -1.229 -5.125 1.00 7.24 N ATOM 303 CA PRO A 19 11.354 -0.217 -4.058 1.00 7.07 C ATOM 304 C PRO A 19 11.082 1.154 -4.613 1.00 6.65 C ATOM 305 O PRO A 19 10.685 2.093 -3.893 1.00 6.37 O ATOM 306 CB PRO A 19 12.810 -0.435 -3.650 1.00 7.61 C ATOM 307 CG PRO A 19 13.507 -0.832 -4.900 1.00 8.16 C ATOM 308 CD PRO A 19 12.477 -1.804 -5.576 1.00 7.49 C ATOM 0 HA PRO A 19 10.661 -0.302 -3.221 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.242 0.473 -3.229 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.894 -1.210 -2.888 1.00 7.61 H new ATOM 0 HG2 PRO A 19 13.726 0.029 -5.532 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.456 -1.327 -4.695 1.00 8.16 H new ATOM 0 HD2 PRO A 19 12.563 -1.807 -6.663 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.602 -2.835 -5.244 1.00 7.49 H new ATOM 316 N SER A 20 11.246 1.350 -5.957 1.00 6.80 N ATOM 317 CA SER A 20 10.945 2.596 -6.609 1.00 6.28 C ATOM 318 C SER A 20 9.511 2.783 -7.102 1.00 8.45 C ATOM 319 O SER A 20 9.206 3.813 -7.607 1.00 7.26 O ATOM 320 CB SER A 20 11.832 2.753 -7.811 1.00 8.57 C ATOM 321 OG SER A 20 11.869 1.601 -8.684 1.00 11.13 O ATOM 0 H SER A 20 11.592 0.628 -6.589 1.00 6.80 H new ATOM 0 HA SER A 20 11.107 3.341 -5.829 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.496 3.617 -8.384 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.845 2.970 -7.473 1.00 8.57 H new ATOM 0 HG SER A 20 12.465 1.783 -9.441 1.00 11.13 H new ATOM 327 N ASP A 21 8.611 1.754 -6.938 1.00 7.50 N ATOM 328 CA ASP A 21 7.232 1.908 -7.215 1.00 7.70 C ATOM 329 C ASP A 21 6.530 2.977 -6.336 1.00 7.08 C ATOM 330 O ASP A 21 6.689 2.963 -5.116 1.00 8.11 O ATOM 331 CB ASP A 21 6.484 0.598 -7.091 1.00 11.00 C ATOM 332 CG ASP A 21 6.901 -0.405 -8.133 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.242 -0.056 -9.310 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.584 -1.571 -7.870 1.00 14.36 O ATOM 0 H ASP A 21 8.870 0.823 -6.611 1.00 7.50 H new ATOM 0 HA ASP A 21 7.198 2.257 -8.247 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.654 0.179 -6.099 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.414 0.785 -7.179 1.00 11.00 H new ATOM 339 N THR A 22 5.621 3.763 -6.924 1.00 5.37 N ATOM 340 CA THR A 22 4.848 4.724 -6.138 1.00 6.01 C ATOM 341 C THR A 22 3.747 4.054 -5.369 1.00 8.01 C ATOM 342 O THR A 22 3.318 2.989 -5.658 1.00 8.11 O ATOM 343 CB THR A 22 4.246 5.940 -6.853 1.00 8.92 C ATOM 344 OG1 THR A 22 3.517 5.536 -8.042 1.00 10.22 O ATOM 345 CG2 THR A 22 5.321 6.925 -7.292 1.00 9.65 C ATOM 0 H THR A 22 5.407 3.753 -7.921 1.00 5.37 H new ATOM 0 HA THR A 22 5.629 5.130 -5.496 1.00 6.01 H new ATOM 0 HB THR A 22 3.578 6.415 -6.135 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.141 6.328 -8.480 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.855 7.772 -7.795 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.870 7.278 -6.419 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.009 6.431 -7.977 1.00 9.65 H new ATOM 353 N ILE A 23 3.217 4.741 -4.284 1.00 8.32 N ATOM 354 CA ILE A 23 2.050 4.285 -3.462 1.00 9.92 C ATOM 355 C ILE A 23 0.859 4.081 -4.362 1.00 10.01 C ATOM 356 O ILE A 23 0.175 3.055 -4.290 1.00 8.71 O ATOM 357 CB ILE A 23 1.792 5.276 -2.365 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.011 5.510 -1.450 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.492 4.898 -1.530 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.501 4.315 -0.636 1.00 12.30 C ATOM 0 H ILE A 23 3.600 5.631 -3.965 1.00 8.32 H new ATOM 0 HA ILE A 23 2.262 3.329 -2.984 1.00 9.92 H new ATOM 0 HB ILE A 23 1.607 6.229 -2.860 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.837 5.861 -2.068 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.766 6.315 -0.757 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.336 5.637 -0.744 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.374 4.884 -2.192 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.622 3.913 -1.081 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.361 4.612 -0.036 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.702 3.970 0.020 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.790 3.509 -1.311 1.00 12.30 H new ATOM 372 N GLU A 24 0.620 5.040 -5.328 1.00 9.54 N ATOM 373 CA GLU A 24 -0.354 4.976 -6.362 1.00 11.81 C ATOM 374 C GLU A 24 -0.249 3.678 -7.212 1.00 11.14 C ATOM 375 O GLU A 24 -1.267 3.038 -7.475 1.00 10.62 O ATOM 376 CB GLU A 24 -0.288 6.188 -7.281 1.00 19.24 C ATOM 377 CG GLU A 24 -1.252 6.118 -8.493 1.00 27.76 C ATOM 378 CD GLU A 24 -1.344 7.349 -9.319 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.473 7.486 -10.165 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.130 8.291 -9.020 1.00 36.51 O ATOM 0 H GLU A 24 1.159 5.905 -5.362 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.316 4.968 -5.850 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.515 7.083 -6.701 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.733 6.297 -7.648 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.938 5.295 -9.135 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.249 5.874 -8.126 1.00 27.76 H new ATOM 387 N ASN A 25 0.963 3.175 -7.592 1.00 9.43 N ATOM 388 CA ASN A 25 1.171 1.866 -8.272 1.00 10.96 C ATOM 389 C ASN A 25 0.955 0.596 -7.431 1.00 9.68 C ATOM 390 O ASN A 25 0.400 -0.353 -7.948 1.00 9.33 O ATOM 391 CB ASN A 25 2.598 1.934 -8.906 1.00 16.78 C ATOM 392 CG ASN A 25 2.721 0.831 -9.979 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.545 -0.109 -9.896 1.00 25.66 O ATOM 394 ND2 ASN A 25 1.839 0.906 -10.998 1.00 24.70 N ATOM 0 H ASN A 25 1.835 3.679 -7.430 1.00 9.43 H new ATOM 0 HA ASN A 25 0.383 1.746 -9.016 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.766 2.914 -9.352 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.359 1.799 -8.137 1.00 16.78 H new ATOM 0 HD21 ASN A 25 1.834 0.188 -11.722 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.178 1.681 -11.044 1.00 24.70 H new ATOM 401 N VAL A 26 1.298 0.611 -6.186 1.00 6.52 N ATOM 402 CA VAL A 26 1.060 -0.411 -5.181 1.00 5.53 C ATOM 403 C VAL A 26 -0.395 -0.716 -5.005 1.00 4.42 C ATOM 404 O VAL A 26 -0.819 -1.887 -4.894 1.00 3.40 O ATOM 405 CB VAL A 26 1.652 -0.085 -3.818 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.343 -1.208 -2.819 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.173 0.109 -3.954 1.00 8.12 C ATOM 0 H VAL A 26 1.800 1.408 -5.794 1.00 6.52 H new ATOM 0 HA VAL A 26 1.574 -1.287 -5.576 1.00 5.53 H new ATOM 0 HB VAL A 26 1.205 0.836 -3.444 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.773 -0.960 -1.849 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.263 -1.320 -2.720 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.773 -2.143 -3.178 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.599 0.343 -2.978 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.624 -0.807 -4.337 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.375 0.929 -4.644 1.00 8.12 H new ATOM 417 N LYS A 27 -1.210 0.339 -5.097 1.00 2.64 N ATOM 418 CA LYS A 27 -2.695 0.297 -5.046 1.00 4.14 C ATOM 419 C LYS A 27 -3.253 -0.543 -6.183 1.00 5.58 C ATOM 420 O LYS A 27 -4.176 -1.395 -6.017 1.00 4.11 O ATOM 421 CB LYS A 27 -3.439 1.691 -4.876 1.00 3.97 C ATOM 422 CG LYS A 27 -2.946 2.507 -3.710 1.00 7.45 C ATOM 423 CD LYS A 27 -3.818 3.744 -3.565 1.00 9.02 C ATOM 424 CE LYS A 27 -3.186 4.994 -2.952 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.208 6.035 -2.934 1.00 15.47 N ATOM 0 H LYS A 27 -0.851 1.287 -5.214 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.924 -0.196 -4.101 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.316 2.271 -5.791 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.507 1.509 -4.754 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.979 1.914 -2.796 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.907 2.796 -3.866 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.191 4.008 -4.554 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.683 3.475 -2.959 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.830 4.788 -1.943 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.323 5.313 -3.536 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.782 6.935 -2.633 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.610 6.144 -3.887 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.962 5.770 -2.269 1.00 15.47 H new ATOM 439 N ALA A 28 -2.686 -0.396 -7.424 1.00 6.61 N ATOM 440 CA ALA A 28 -2.979 -1.236 -8.539 1.00 7.74 C ATOM 441 C ALA A 28 -2.470 -2.686 -8.456 1.00 9.17 C ATOM 442 O ALA A 28 -3.041 -3.576 -9.060 1.00 11.45 O ATOM 443 CB ALA A 28 -2.369 -0.589 -9.825 1.00 7.68 C ATOM 0 H ALA A 28 -2.007 0.334 -7.637 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.067 -1.307 -8.554 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.585 -1.220 -10.687 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.807 0.397 -9.979 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.290 -0.493 -9.707 1.00 7.68 H new ATOM 449 N LYS A 29 -1.460 -3.024 -7.613 1.00 8.96 N ATOM 450 CA LYS A 29 -1.148 -4.412 -7.320 1.00 7.90 C ATOM 451 C LYS A 29 -2.153 -5.122 -6.475 1.00 6.92 C ATOM 452 O LYS A 29 -2.426 -6.308 -6.689 1.00 6.87 O ATOM 453 CB LYS A 29 0.298 -4.455 -6.768 1.00 10.28 C ATOM 454 CG LYS A 29 1.431 -3.675 -7.575 1.00 14.94 C ATOM 455 CD LYS A 29 1.816 -4.350 -8.929 1.00 19.69 C ATOM 456 CE LYS A 29 2.899 -3.562 -9.673 1.00 22.63 C ATOM 457 NZ LYS A 29 3.112 -4.174 -10.969 1.00 24.98 N ATOM 0 H LYS A 29 -0.863 -2.347 -7.137 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.207 -4.990 -8.242 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.280 -4.060 -5.752 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.598 -5.501 -6.698 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.091 -2.658 -7.770 1.00 14.94 H new ATOM 0 HG3 LYS A 29 2.322 -3.599 -6.951 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.169 -5.364 -8.742 1.00 19.69 H new ATOM 0 HD3 LYS A 29 0.930 -4.432 -9.558 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.595 -2.522 -9.792 1.00 22.63 H new ATOM 0 HE3 LYS A 29 3.826 -3.560 -9.099 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.846 -3.648 -11.485 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.418 -5.160 -10.841 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.225 -4.154 -11.512 1.00 24.98 H new ATOM 471 N ILE A 30 -2.726 -4.345 -5.555 1.00 4.57 N ATOM 472 CA ILE A 30 -3.688 -4.775 -4.555 1.00 5.58 C ATOM 473 C ILE A 30 -4.963 -5.025 -5.356 1.00 7.26 C ATOM 474 O ILE A 30 -5.675 -5.997 -5.052 1.00 9.46 O ATOM 475 CB ILE A 30 -3.892 -3.782 -3.433 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.623 -3.723 -2.497 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.041 -4.205 -2.598 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.541 -2.611 -1.411 1.00 2.00 C ATOM 0 H ILE A 30 -2.517 -3.349 -5.489 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.342 -5.662 -4.025 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.069 -2.804 -3.881 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.542 -4.685 -1.991 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.746 -3.624 -3.137 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.187 -3.488 -1.790 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.941 -4.248 -3.212 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.842 -5.191 -2.177 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.608 -2.712 -0.856 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.575 -1.632 -1.889 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.383 -2.709 -0.726 1.00 2.00 H new ATOM 490 N GLN A 31 -5.257 -4.163 -6.305 1.00 7.06 N ATOM 491 CA GLN A 31 -6.365 -4.347 -7.216 1.00 8.67 C ATOM 492 C GLN A 31 -6.268 -5.621 -8.084 1.00 10.90 C ATOM 493 O GLN A 31 -7.233 -6.345 -8.236 1.00 9.63 O ATOM 494 CB GLN A 31 -6.454 -3.143 -8.159 1.00 9.12 C ATOM 495 CG GLN A 31 -7.763 -3.163 -9.038 1.00 10.76 C ATOM 496 CD GLN A 31 -7.955 -1.798 -9.729 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.991 -1.096 -9.677 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.892 -1.322 -10.481 1.00 14.76 N ATOM 0 H GLN A 31 -4.728 -3.306 -6.467 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.250 -4.448 -6.588 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.427 -2.224 -7.574 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.581 -3.131 -8.812 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.696 -3.953 -9.786 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.627 -3.388 -8.413 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.031 -1.865 -10.548 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.971 -0.429 -10.967 1.00 14.76 H new ATOM 507 N ASP A 32 -5.038 -5.961 -8.590 1.00 10.93 N ATOM 508 CA ASP A 32 -4.827 -7.235 -9.191 1.00 14.01 C ATOM 509 C ASP A 32 -5.024 -8.565 -8.364 1.00 14.04 C ATOM 510 O ASP A 32 -5.532 -9.607 -8.834 1.00 13.39 O ATOM 511 CB ASP A 32 -3.468 -7.293 -10.007 1.00 18.01 C ATOM 512 CG ASP A 32 -3.424 -8.472 -10.966 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.217 -8.520 -11.921 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.489 -9.305 -10.837 1.00 25.17 O ATOM 0 H ASP A 32 -4.219 -5.353 -8.574 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.703 -7.258 -9.839 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.343 -6.366 -10.567 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.631 -7.361 -9.312 1.00 18.01 H new ATOM 519 N LYS A 33 -4.760 -8.401 -7.054 1.00 14.22 N ATOM 520 CA LYS A 33 -5.065 -9.434 -6.040 1.00 14.00 C ATOM 521 C LYS A 33 -6.514 -9.467 -5.617 1.00 12.37 C ATOM 522 O LYS A 33 -7.201 -10.464 -5.812 1.00 12.17 O ATOM 523 CB LYS A 33 -4.145 -9.185 -4.809 1.00 18.62 C ATOM 524 CG LYS A 33 -2.578 -9.160 -5.088 1.00 24.00 C ATOM 525 CD LYS A 33 -2.111 -10.704 -5.111 1.00 27.61 C ATOM 526 CE LYS A 33 -0.639 -10.894 -4.807 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.307 -12.330 -4.704 1.00 30.06 N ATOM 0 H LYS A 33 -4.333 -7.558 -6.669 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.875 -10.409 -6.489 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.427 -8.233 -4.359 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.348 -9.959 -4.069 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.357 -8.671 -6.037 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.052 -8.604 -4.312 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.699 -11.264 -4.384 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.329 -11.127 -6.092 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.038 -10.432 -5.591 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.387 -10.390 -3.874 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.706 -12.438 -4.495 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.866 -12.762 -3.940 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.527 -12.803 -5.604 1.00 30.06 H new ATOM 541 N GLU A 34 -7.038 -8.349 -5.118 1.00 10.11 N ATOM 542 CA GLU A 34 -8.255 -8.388 -4.300 1.00 10.07 C ATOM 543 C GLU A 34 -9.399 -7.606 -4.941 1.00 9.32 C ATOM 544 O GLU A 34 -10.521 -7.643 -4.461 1.00 11.61 O ATOM 545 CB GLU A 34 -7.942 -7.650 -2.985 1.00 14.77 C ATOM 546 CG GLU A 34 -6.957 -8.302 -2.005 1.00 18.75 C ATOM 547 CD GLU A 34 -7.471 -9.663 -1.639 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.507 -9.773 -0.864 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.052 -10.714 -2.171 1.00 25.19 O ATOM 0 H GLU A 34 -6.649 -7.417 -5.261 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.546 -9.431 -4.173 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.554 -6.664 -3.241 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.883 -7.495 -2.458 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.969 -8.381 -2.459 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.849 -7.686 -1.112 1.00 18.75 H new ATOM 556 N GLY A 35 -9.129 -6.913 -6.078 1.00 7.22 N ATOM 557 CA GLY A 35 -10.173 -6.250 -6.823 1.00 6.29 C ATOM 558 C GLY A 35 -10.582 -4.859 -6.441 1.00 6.93 C ATOM 559 O GLY A 35 -11.465 -4.303 -7.042 1.00 7.41 O ATOM 0 H GLY A 35 -8.196 -6.813 -6.477 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.863 -6.224 -7.868 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.062 -6.878 -6.770 1.00 6.29 H new ATOM 563 N ILE A 36 -9.909 -4.275 -5.406 1.00 5.86 N ATOM 564 CA ILE A 36 -10.159 -2.915 -4.822 1.00 6.07 C ATOM 565 C ILE A 36 -9.727 -1.774 -5.776 1.00 6.36 C ATOM 566 O ILE A 36 -8.570 -1.760 -6.119 1.00 6.18 O ATOM 567 CB ILE A 36 -9.494 -2.688 -3.446 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.711 -3.991 -2.587 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.033 -1.397 -2.815 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.402 -3.896 -1.174 1.00 9.49 C ATOM 0 H ILE A 36 -9.144 -4.757 -4.934 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.239 -2.887 -4.681 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.418 -2.533 -3.523 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.753 -4.296 -2.688 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.102 -4.787 -3.016 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.561 -1.242 -1.845 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.809 -0.553 -3.467 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.112 -1.479 -2.684 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.592 -4.856 -0.695 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.353 -3.629 -1.048 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.028 -3.131 -0.715 1.00 9.49 H new ATOM 582 N PRO A 37 -10.548 -0.830 -6.214 1.00 8.65 N ATOM 583 CA PRO A 37 -10.055 0.445 -6.866 1.00 9.18 C ATOM 584 C PRO A 37 -8.999 1.188 -6.031 1.00 9.85 C ATOM 585 O PRO A 37 -9.220 1.296 -4.807 1.00 8.51 O ATOM 586 CB PRO A 37 -11.387 1.284 -6.843 1.00 11.42 C ATOM 587 CG PRO A 37 -12.514 0.244 -6.797 1.00 9.27 C ATOM 588 CD PRO A 37 -11.972 -0.881 -5.929 1.00 8.33 C ATOM 0 HA PRO A 37 -9.581 0.275 -7.833 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.423 1.943 -5.975 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.470 1.916 -7.727 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.425 0.667 -6.373 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.763 -0.113 -7.796 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.182 -0.717 -4.872 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.406 -1.845 -6.194 1.00 8.33 H new ATOM 596 N PRO A 38 -7.934 1.728 -6.568 1.00 8.71 N ATOM 597 CA PRO A 38 -7.029 2.691 -5.928 1.00 9.08 C ATOM 598 C PRO A 38 -7.708 3.823 -5.193 1.00 9.28 C ATOM 599 O PRO A 38 -7.235 4.285 -4.126 1.00 6.50 O ATOM 600 CB PRO A 38 -6.193 3.137 -7.123 1.00 10.31 C ATOM 601 CG PRO A 38 -6.026 1.972 -8.034 1.00 10.81 C ATOM 602 CD PRO A 38 -7.339 1.207 -7.824 1.00 12.00 C ATOM 0 HA PRO A 38 -6.451 2.260 -5.110 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.683 3.960 -7.644 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.221 3.503 -6.792 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.896 2.281 -9.071 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.157 1.370 -7.770 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.015 1.358 -8.666 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.156 0.135 -7.751 1.00 12.00 H new ATOM 610 N ASP A 39 -8.851 4.334 -5.694 1.00 11.20 N ATOM 611 CA ASP A 39 -9.732 5.310 -5.160 1.00 14.96 C ATOM 612 C ASP A 39 -10.163 5.004 -3.763 1.00 13.99 C ATOM 613 O ASP A 39 -10.445 5.900 -2.972 1.00 13.75 O ATOM 614 CB ASP A 39 -10.963 5.413 -6.026 1.00 24.16 C ATOM 615 CG ASP A 39 -10.691 5.976 -7.399 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.103 7.069 -7.517 1.00 35.55 O ATOM 617 OD2 ASP A 39 -11.096 5.286 -8.411 1.00 34.22 O ATOM 0 H ASP A 39 -9.192 4.008 -6.599 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.180 6.250 -5.143 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.408 4.423 -6.130 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.698 6.042 -5.524 1.00 24.16 H new ATOM 622 N GLN A 40 -10.255 3.729 -3.405 1.00 11.60 N ATOM 623 CA GLN A 40 -10.751 3.297 -2.068 1.00 10.76 C ATOM 624 C GLN A 40 -9.562 3.074 -1.147 1.00 8.01 C ATOM 625 O GLN A 40 -9.801 2.839 0.033 1.00 8.96 O ATOM 626 CB GLN A 40 -11.494 1.922 -2.059 1.00 11.14 C ATOM 627 CG GLN A 40 -12.820 2.135 -2.871 1.00 14.85 C ATOM 628 CD GLN A 40 -13.700 0.929 -2.755 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.469 -0.001 -1.937 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.732 0.799 -3.676 1.00 18.16 N ATOM 0 H GLN A 40 -9.994 2.956 -4.017 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.437 4.087 -1.762 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -10.880 1.145 -2.514 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.709 1.603 -1.039 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.345 3.014 -2.498 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.586 2.324 -3.919 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.921 1.550 -4.339 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.300 -0.048 -3.689 1.00 18.16 H new ATOM 639 N GLN A 41 -8.302 2.997 -1.675 1.00 6.52 N ATOM 640 CA GLN A 41 -7.147 2.632 -0.861 1.00 3.87 C ATOM 641 C GLN A 41 -6.299 3.748 -0.361 1.00 4.79 C ATOM 642 O GLN A 41 -5.976 4.641 -1.132 1.00 6.34 O ATOM 643 CB GLN A 41 -6.230 1.604 -1.654 1.00 4.20 C ATOM 644 CG GLN A 41 -7.016 0.312 -2.164 1.00 3.20 C ATOM 645 CD GLN A 41 -6.078 -0.421 -3.159 1.00 4.89 C ATOM 646 OE1 GLN A 41 -5.025 -0.813 -2.764 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.439 -0.495 -4.453 1.00 7.13 N ATOM 0 H GLN A 41 -8.084 3.185 -2.653 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.588 2.193 0.034 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.786 2.111 -2.511 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.409 1.289 -1.009 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.276 -0.337 -1.328 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.950 0.595 -2.650 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.351 -0.147 -4.749 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.801 -0.899 -5.138 1.00 7.13 H new ATOM 656 N ARG A 42 -5.932 3.620 0.927 1.00 5.73 N ATOM 657 CA ARG A 42 -4.962 4.444 1.640 1.00 6.97 C ATOM 658 C ARG A 42 -3.995 3.595 2.389 1.00 7.15 C ATOM 659 O ARG A 42 -4.344 2.752 3.210 1.00 7.33 O ATOM 660 CB ARG A 42 -5.699 5.398 2.547 1.00 13.23 C ATOM 661 CG ARG A 42 -5.810 6.707 1.817 1.00 21.27 C ATOM 662 CD ARG A 42 -6.146 7.847 2.716 1.00 26.14 C ATOM 663 NE ARG A 42 -6.282 9.091 1.887 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.749 10.249 2.332 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.074 10.495 3.598 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.747 11.211 1.425 1.00 36.39 N ATOM 0 H ARG A 42 -6.332 2.896 1.524 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.378 5.026 0.927 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.687 5.009 2.793 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.164 5.526 3.488 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.867 6.916 1.311 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -6.575 6.623 1.045 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.075 7.646 3.250 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.368 7.977 3.468 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.994 9.042 0.910 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -6.969 9.765 4.303 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -7.428 11.414 3.864 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.405 11.023 0.483 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.087 12.141 1.668 1.00 36.39 H new ATOM 680 N LEU A 43 -2.710 3.821 2.123 1.00 4.65 N ATOM 681 CA LEU A 43 -1.719 2.861 2.575 1.00 3.51 C ATOM 682 C LEU A 43 -0.919 3.535 3.699 1.00 5.56 C ATOM 683 O LEU A 43 -0.742 4.730 3.709 1.00 4.19 O ATOM 684 CB LEU A 43 -0.728 2.470 1.433 1.00 3.74 C ATOM 685 CG LEU A 43 -1.361 1.818 0.141 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.396 1.007 -0.673 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.628 0.964 0.431 1.00 6.41 C ATOM 0 H LEU A 43 -2.345 4.628 1.617 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.224 1.954 2.907 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.185 3.366 1.132 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.005 1.775 1.841 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.655 2.685 -0.451 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.909 0.595 -1.541 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.425 1.643 -1.005 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.001 0.193 -0.065 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.008 0.548 -0.502 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.372 0.153 1.112 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.394 1.592 0.886 1.00 6.41 H new ATOM 699 N ILE A 44 -0.639 2.647 4.698 1.00 4.58 N ATOM 700 CA ILE A 44 -0.085 2.927 5.991 1.00 5.55 C ATOM 701 C ILE A 44 1.218 2.112 6.154 1.00 5.46 C ATOM 702 O ILE A 44 1.262 0.927 5.755 1.00 6.04 O ATOM 703 CB ILE A 44 -1.086 2.633 7.176 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.557 3.155 6.929 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.535 3.266 8.497 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.750 4.707 6.772 1.00 13.90 C ATOM 0 H ILE A 44 -0.821 1.651 4.577 1.00 4.58 H new ATOM 0 HA ILE A 44 0.123 3.996 6.044 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.151 1.547 7.250 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.940 2.674 6.029 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.179 2.819 7.759 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.227 3.062 9.314 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.438 2.834 8.729 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.432 4.344 8.369 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.805 4.928 6.608 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.411 5.209 7.678 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.168 5.062 5.921 1.00 13.90 H new ATOM 718 N PHE A 45 2.263 2.745 6.769 1.00 6.75 N ATOM 719 CA PHE A 45 3.491 1.970 7.188 1.00 4.70 C ATOM 720 C PHE A 45 3.767 2.382 8.628 1.00 6.34 C ATOM 721 O PHE A 45 4.208 3.480 8.818 1.00 5.45 O ATOM 722 CB PHE A 45 4.623 2.314 6.207 1.00 5.51 C ATOM 723 CG PHE A 45 6.004 1.736 6.438 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.144 0.414 6.867 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.136 2.554 6.163 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.415 -0.100 7.161 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.386 2.018 6.481 1.00 6.64 C ATOM 728 CZ PHE A 45 8.544 0.717 6.948 1.00 6.84 C ATOM 0 H PHE A 45 2.291 3.742 6.981 1.00 6.75 H new ATOM 0 HA PHE A 45 3.378 0.886 7.156 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.300 2.005 5.213 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.721 3.399 6.187 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.271 -0.214 6.972 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.034 3.538 5.731 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.527 -1.104 7.544 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.263 2.637 6.360 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.533 0.332 7.148 1.00 6.84 H new ATOM 738 N ALA A 46 3.431 1.486 9.612 1.00 6.53 N ATOM 739 CA ALA A 46 3.717 1.603 11.078 1.00 7.15 C ATOM 740 C ALA A 46 2.981 2.741 11.690 1.00 9.00 C ATOM 741 O ALA A 46 3.441 3.401 12.606 1.00 11.15 O ATOM 742 CB ALA A 46 5.277 1.664 11.381 1.00 8.99 C ATOM 0 H ALA A 46 2.931 0.625 9.392 1.00 6.53 H new ATOM 0 HA ALA A 46 3.347 0.693 11.550 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.436 1.749 12.456 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.755 0.756 11.014 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.711 2.530 10.881 1.00 8.99 H new ATOM 748 N GLY A 47 1.783 2.967 11.217 1.00 9.35 N ATOM 749 CA GLY A 47 0.894 3.976 11.710 1.00 11.68 C ATOM 750 C GLY A 47 0.917 5.260 10.967 1.00 11.14 C ATOM 751 O GLY A 47 0.072 6.130 11.140 1.00 13.93 O ATOM 0 H GLY A 47 1.388 2.429 10.446 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.122 3.582 11.691 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.139 4.175 12.753 1.00 11.68 H new ATOM 755 N LYS A 48 1.856 5.374 10.069 1.00 10.47 N ATOM 756 CA LYS A 48 2.140 6.548 9.260 1.00 8.82 C ATOM 757 C LYS A 48 1.439 6.523 7.882 1.00 7.68 C ATOM 758 O LYS A 48 1.638 5.581 7.112 1.00 6.47 O ATOM 759 CB LYS A 48 3.614 6.826 9.045 1.00 9.74 C ATOM 760 CG LYS A 48 4.139 7.946 8.068 1.00 14.14 C ATOM 761 CD LYS A 48 5.629 7.969 7.866 1.00 16.32 C ATOM 762 CE LYS A 48 5.968 9.050 6.790 1.00 20.04 C ATOM 763 NZ LYS A 48 5.872 10.475 7.282 1.00 23.92 N ATOM 0 H LYS A 48 2.491 4.603 9.862 1.00 10.47 H new ATOM 0 HA LYS A 48 1.730 7.358 9.863 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.034 7.048 10.026 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.061 5.889 8.712 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.658 7.815 7.098 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.825 8.917 8.451 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.135 8.197 8.804 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.982 6.990 7.543 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.979 8.873 6.422 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.294 8.925 5.943 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.112 11.127 6.508 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 4.903 10.666 7.607 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.535 10.615 8.071 1.00 23.92 H new ATOM 777 N GLN A 49 0.648 7.568 7.575 1.00 8.89 N ATOM 778 CA GLN A 49 -0.158 7.722 6.372 1.00 7.18 C ATOM 779 C GLN A 49 0.698 8.290 5.219 1.00 8.23 C ATOM 780 O GLN A 49 1.524 9.161 5.499 1.00 9.70 O ATOM 781 CB GLN A 49 -1.422 8.614 6.583 1.00 11.67 C ATOM 782 CG GLN A 49 -2.321 8.617 5.374 1.00 15.82 C ATOM 783 CD GLN A 49 -3.525 9.464 5.731 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.444 9.253 6.540 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.580 10.693 5.141 1.00 20.67 N ATOM 0 H GLN A 49 0.556 8.367 8.202 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.515 6.725 6.115 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.979 8.254 7.448 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.112 9.635 6.806 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.803 9.027 4.507 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.624 7.603 5.114 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.870 10.964 4.461 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.331 11.341 5.380 1.00 20.67 H new ATOM 794 N LEU A 50 0.478 7.818 4.038 1.00 6.51 N ATOM 795 CA LEU A 50 1.327 8.020 2.887 1.00 7.41 C ATOM 796 C LEU A 50 0.606 8.666 1.739 1.00 8.27 C ATOM 797 O LEU A 50 -0.613 8.601 1.573 1.00 8.34 O ATOM 798 CB LEU A 50 1.880 6.680 2.448 1.00 7.13 C ATOM 799 CG LEU A 50 2.515 5.730 3.511 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.207 4.559 2.889 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.518 6.398 4.411 1.00 9.11 C ATOM 0 H LEU A 50 -0.341 7.248 3.827 1.00 6.51 H new ATOM 0 HA LEU A 50 2.129 8.698 3.181 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.070 6.134 1.963 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.636 6.871 1.686 1.00 7.13 H new ATOM 0 HG LEU A 50 1.657 5.410 4.103 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.631 3.930 3.671 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.490 3.980 2.306 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.004 4.913 2.235 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.912 5.670 5.120 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.335 6.799 3.811 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.035 7.210 4.955 1.00 9.11 H new ATOM 813 N GLU A 51 1.384 9.355 0.897 1.00 9.43 N ATOM 814 CA GLU A 51 0.991 10.157 -0.230 1.00 11.90 C ATOM 815 C GLU A 51 1.130 9.365 -1.562 1.00 11.49 C ATOM 816 O GLU A 51 2.031 8.590 -1.726 1.00 9.88 O ATOM 817 CB GLU A 51 1.687 11.513 -0.323 1.00 16.56 C ATOM 818 CG GLU A 51 1.551 12.282 1.021 1.00 26.06 C ATOM 819 CD GLU A 51 2.221 13.671 1.050 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.435 13.850 0.924 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.412 14.585 1.251 1.00 32.13 O ATOM 0 H GLU A 51 2.397 9.354 1.013 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.061 10.387 -0.059 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.741 11.373 -0.565 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.250 12.099 -1.131 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.492 12.402 1.248 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.980 11.672 1.816 1.00 26.06 H new ATOM 828 N ASP A 52 0.266 9.658 -2.540 1.00 12.71 N ATOM 829 CA ASP A 52 0.096 8.932 -3.809 1.00 16.56 C ATOM 830 C ASP A 52 1.227 8.779 -4.715 1.00 15.83 C ATOM 831 O ASP A 52 1.472 7.712 -5.298 1.00 17.21 O ATOM 832 CB ASP A 52 -1.183 9.460 -4.618 1.00 21.05 C ATOM 833 CG ASP A 52 -2.443 9.390 -3.751 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.850 8.321 -3.247 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.108 10.426 -3.597 1.00 25.82 O ATOM 0 H ASP A 52 -0.370 10.452 -2.466 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.037 7.917 -3.435 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.015 10.487 -4.941 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.322 8.861 -5.518 1.00 21.05 H new ATOM 840 N GLY A 53 1.927 9.929 -5.006 1.00 15.00 N ATOM 841 CA GLY A 53 3.025 10.040 -6.039 1.00 11.77 C ATOM 842 C GLY A 53 4.410 9.864 -5.360 1.00 11.10 C ATOM 843 O GLY A 53 5.446 9.832 -5.963 1.00 11.25 O ATOM 0 H GLY A 53 1.745 10.811 -4.528 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.889 9.281 -6.810 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.974 11.010 -6.534 1.00 11.77 H new ATOM 847 N ARG A 54 4.405 9.673 -4.021 1.00 8.53 N ATOM 848 CA ARG A 54 5.572 9.167 -3.285 1.00 9.05 C ATOM 849 C ARG A 54 5.964 7.733 -3.591 1.00 8.96 C ATOM 850 O ARG A 54 5.124 6.846 -3.819 1.00 11.60 O ATOM 851 CB ARG A 54 5.409 9.521 -1.842 1.00 7.97 C ATOM 852 CG ARG A 54 5.616 11.076 -1.511 1.00 9.62 C ATOM 853 CD ARG A 54 7.153 11.514 -1.525 1.00 12.20 C ATOM 854 NE ARG A 54 7.152 12.966 -1.254 1.00 18.23 N ATOM 855 CZ ARG A 54 8.091 13.711 -0.653 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.197 13.196 -0.169 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.982 15.054 -0.578 1.00 23.38 N ATOM 0 H ARG A 54 3.596 9.865 -3.430 1.00 8.53 H new ATOM 0 HA ARG A 54 6.467 9.672 -3.650 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.412 9.223 -1.518 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.121 8.940 -1.256 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.066 11.674 -2.238 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.190 11.294 -0.532 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.722 10.974 -0.768 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.615 11.295 -2.488 1.00 12.20 H new ATOM 0 HE ARG A 54 6.323 13.471 -1.567 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.368 12.193 -0.243 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.886 13.799 0.281 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.172 15.523 -0.984 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.709 15.600 -0.116 1.00 23.38 H new ATOM 871 N THR A 55 7.298 7.366 -3.612 1.00 9.05 N ATOM 872 CA THR A 55 7.837 6.034 -3.827 1.00 9.03 C ATOM 873 C THR A 55 7.958 5.270 -2.534 1.00 8.15 C ATOM 874 O THR A 55 8.119 5.778 -1.435 1.00 5.91 O ATOM 875 CB THR A 55 9.166 5.971 -4.609 1.00 11.15 C ATOM 876 OG1 THR A 55 10.308 6.530 -3.903 1.00 11.95 O ATOM 877 CG2 THR A 55 8.993 6.752 -5.936 1.00 11.71 C ATOM 0 H THR A 55 8.036 8.055 -3.468 1.00 9.05 H new ATOM 0 HA THR A 55 7.100 5.557 -4.473 1.00 9.03 H new ATOM 0 HB THR A 55 9.379 4.913 -4.763 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.109 6.451 -4.462 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.924 6.718 -6.502 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.194 6.299 -6.523 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.739 7.789 -5.717 1.00 11.71 H new ATOM 885 N LEU A 56 7.923 3.941 -2.610 1.00 6.91 N ATOM 886 CA LEU A 56 8.123 3.042 -1.429 1.00 8.29 C ATOM 887 C LEU A 56 9.550 3.324 -0.721 1.00 8.05 C ATOM 888 O LEU A 56 9.634 3.438 0.489 1.00 10.17 O ATOM 889 CB LEU A 56 7.920 1.595 -1.836 1.00 6.60 C ATOM 890 CG LEU A 56 6.529 1.102 -2.282 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.697 -0.226 -3.011 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.656 1.063 -0.993 1.00 8.64 C ATOM 0 H LEU A 56 7.757 3.438 -3.482 1.00 6.91 H new ATOM 0 HA LEU A 56 7.371 3.262 -0.671 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.613 1.389 -2.652 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.227 0.976 -0.993 1.00 6.60 H new ATOM 0 HG LEU A 56 6.022 1.749 -2.998 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.722 -0.590 -3.334 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.338 -0.085 -3.881 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.152 -0.954 -2.340 1.00 9.85 H new ATOM 0 HD21 LEU A 56 4.652 0.720 -1.244 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.104 0.380 -0.271 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.600 2.062 -0.561 1.00 8.64 H new ATOM 904 N SER A 57 10.588 3.534 -1.524 1.00 8.92 N ATOM 905 CA SER A 57 11.950 3.711 -0.948 1.00 9.00 C ATOM 906 C SER A 57 12.146 4.982 -0.210 1.00 9.44 C ATOM 907 O SER A 57 12.841 5.063 0.787 1.00 10.91 O ATOM 908 CB SER A 57 13.110 3.720 -2.022 1.00 10.32 C ATOM 909 OG SER A 57 12.956 4.671 -3.015 1.00 13.59 O ATOM 0 H SER A 57 10.536 3.587 -2.541 1.00 8.92 H new ATOM 0 HA SER A 57 12.006 2.846 -0.287 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.059 3.892 -1.514 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.170 2.735 -2.484 1.00 10.32 H new ATOM 0 HG SER A 57 13.710 4.617 -3.639 1.00 13.59 H new ATOM 915 N ASP A 58 11.529 6.061 -0.696 1.00 9.11 N ATOM 916 CA ASP A 58 11.483 7.364 0.011 1.00 7.91 C ATOM 917 C ASP A 58 10.883 7.323 1.393 1.00 9.12 C ATOM 918 O ASP A 58 11.264 8.237 2.137 1.00 8.61 O ATOM 919 CB ASP A 58 10.617 8.326 -0.826 1.00 8.41 C ATOM 920 CG ASP A 58 10.811 9.784 -0.510 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.962 10.353 -0.607 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.843 10.481 -0.104 1.00 10.05 O ATOM 0 H ASP A 58 11.043 6.066 -1.593 1.00 9.11 H new ATOM 0 HA ASP A 58 12.520 7.679 0.126 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.836 8.165 -1.882 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.568 8.072 -0.676 1.00 8.41 H new ATOM 927 N TYR A 59 9.935 6.348 1.680 1.00 7.97 N ATOM 928 CA TYR A 59 9.442 6.081 3.011 1.00 8.45 C ATOM 929 C TYR A 59 10.148 4.978 3.681 1.00 10.98 C ATOM 930 O TYR A 59 9.707 4.544 4.739 1.00 12.95 O ATOM 931 CB TYR A 59 7.951 5.672 2.880 1.00 7.94 C ATOM 932 CG TYR A 59 7.031 6.812 2.468 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.167 8.086 3.116 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.077 6.602 1.464 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.270 9.125 2.731 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.166 7.645 1.197 1.00 6.52 C ATOM 937 CZ TYR A 59 5.261 8.883 1.757 1.00 6.76 C ATOM 938 OH TYR A 59 4.266 9.820 1.437 1.00 7.63 O ATOM 0 H TYR A 59 9.520 5.750 0.965 1.00 7.97 H new ATOM 0 HA TYR A 59 9.594 6.980 3.608 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.868 4.869 2.148 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.610 5.270 3.834 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.923 8.252 3.869 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.040 5.674 0.913 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.357 10.103 3.182 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.352 7.452 0.514 1.00 6.52 H new ATOM 0 HH TYR A 59 4.615 10.726 1.571 1.00 7.63 H new ATOM 948 N ASN A 60 11.314 4.566 3.138 1.00 12.38 N ATOM 949 CA ASN A 60 12.278 3.660 3.766 1.00 13.94 C ATOM 950 C ASN A 60 11.664 2.252 3.906 1.00 14.16 C ATOM 951 O ASN A 60 12.002 1.500 4.836 1.00 14.26 O ATOM 952 CB ASN A 60 12.802 4.165 5.172 1.00 19.23 C ATOM 953 CG ASN A 60 13.329 5.573 5.154 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.990 6.029 4.245 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.931 6.351 6.177 1.00 24.09 N ATOM 0 H ASN A 60 11.614 4.873 2.213 1.00 12.38 H new ATOM 0 HA ASN A 60 13.146 3.630 3.108 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.990 4.100 5.896 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.591 3.496 5.517 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.185 7.339 6.195 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.375 5.953 6.934 1.00 24.09 H new ATOM 962 N ILE A 61 10.879 1.878 2.884 1.00 11.08 N ATOM 963 CA ILE A 61 10.350 0.542 2.664 1.00 11.78 C ATOM 964 C ILE A 61 11.369 -0.327 1.955 1.00 13.74 C ATOM 965 O ILE A 61 11.996 0.050 0.969 1.00 14.60 O ATOM 966 CB ILE A 61 8.913 0.567 2.143 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.987 1.322 3.089 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.415 -0.880 1.918 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.666 1.624 2.412 1.00 11.42 C ATOM 0 H ILE A 61 10.588 2.536 2.161 1.00 11.08 H new ATOM 0 HA ILE A 61 10.211 0.021 3.611 1.00 11.78 H new ATOM 0 HB ILE A 61 8.901 1.099 1.192 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.814 0.730 3.988 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.461 2.251 3.406 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.390 -0.859 1.547 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.055 -1.376 1.188 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.448 -1.427 2.860 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.018 2.163 3.103 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.842 2.236 1.527 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.186 0.691 2.118 1.00 11.42 H new ATOM 981 N GLN A 62 11.550 -1.553 2.449 1.00 13.97 N ATOM 982 CA GLN A 62 12.505 -2.535 2.053 1.00 15.52 C ATOM 983 C GLN A 62 11.772 -3.892 1.955 1.00 13.94 C ATOM 984 O GLN A 62 10.545 -3.943 2.249 1.00 12.15 O ATOM 985 CB GLN A 62 13.707 -2.664 3.040 1.00 19.53 C ATOM 986 CG GLN A 62 14.559 -1.424 3.269 1.00 26.38 C ATOM 987 CD GLN A 62 15.756 -1.565 4.269 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.596 -1.478 5.469 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.956 -1.813 3.729 1.00 32.71 N ATOM 0 H GLN A 62 10.963 -1.895 3.210 1.00 13.97 H new ATOM 0 HA GLN A 62 12.927 -2.228 1.096 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.318 -2.988 4.005 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.359 -3.458 2.676 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.957 -1.102 2.306 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.909 -0.626 3.628 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.055 -1.880 2.716 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.771 -1.935 4.331 1.00 32.71 H new ATOM 998 N LYS A 63 12.436 -5.005 1.543 1.00 11.73 N ATOM 999 CA LYS A 63 11.936 -6.285 1.443 1.00 11.97 C ATOM 1000 C LYS A 63 11.397 -6.869 2.794 1.00 10.41 C ATOM 1001 O LYS A 63 11.906 -6.587 3.913 1.00 9.59 O ATOM 1002 CB LYS A 63 12.986 -7.263 0.789 1.00 13.73 C ATOM 1003 CG LYS A 63 14.020 -7.954 1.737 1.00 16.98 C ATOM 1004 CD LYS A 63 15.063 -8.825 0.967 1.00 20.19 C ATOM 1005 CE LYS A 63 15.990 -9.677 1.851 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.277 -10.932 2.339 1.00 25.97 N ATOM 0 H LYS A 63 13.415 -4.959 1.262 1.00 11.73 H new ATOM 0 HA LYS A 63 11.070 -6.204 0.786 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.436 -8.045 0.265 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.542 -6.704 0.036 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.545 -7.191 2.312 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.487 -8.581 2.452 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.527 -9.487 0.287 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.678 -8.167 0.353 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.880 -9.956 1.287 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.325 -9.089 2.706 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.943 -11.523 2.877 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.481 -10.663 2.951 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.920 -11.468 1.522 1.00 25.97 H new ATOM 1020 N GLU A 64 10.296 -7.622 2.666 1.00 10.04 N ATOM 1021 CA GLU A 64 9.600 -8.308 3.748 1.00 10.94 C ATOM 1022 C GLU A 64 9.042 -7.338 4.858 1.00 9.74 C ATOM 1023 O GLU A 64 8.870 -7.646 5.987 1.00 9.42 O ATOM 1024 CB GLU A 64 10.446 -9.419 4.343 1.00 18.31 C ATOM 1025 CG GLU A 64 10.781 -10.579 3.359 1.00 24.16 C ATOM 1026 CD GLU A 64 11.910 -11.482 3.912 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.057 -10.989 4.036 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.662 -12.632 4.244 1.00 32.61 O ATOM 0 H GLU A 64 9.851 -7.772 1.761 1.00 10.04 H new ATOM 0 HA GLU A 64 8.722 -8.765 3.291 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.379 -8.991 4.709 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.924 -9.832 5.206 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.888 -11.178 3.183 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.082 -10.166 2.396 1.00 24.16 H new ATOM 1035 N SER A 65 8.791 -6.088 4.445 1.00 6.85 N ATOM 1036 CA SER A 65 8.352 -5.048 5.365 1.00 6.90 C ATOM 1037 C SER A 65 6.847 -5.175 5.537 1.00 4.72 C ATOM 1038 O SER A 65 6.070 -5.485 4.624 1.00 3.91 O ATOM 1039 CB SER A 65 8.669 -3.585 5.077 1.00 7.28 C ATOM 1040 OG SER A 65 10.053 -3.450 4.874 1.00 10.56 O ATOM 0 H SER A 65 8.887 -5.780 3.477 1.00 6.85 H new ATOM 0 HA SER A 65 8.954 -5.251 6.251 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.124 -3.248 4.195 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.347 -2.959 5.909 1.00 7.28 H new ATOM 0 HG SER A 65 10.264 -3.624 3.933 1.00 10.56 H new ATOM 1046 N THR A 66 6.317 -4.886 6.764 1.00 4.48 N ATOM 1047 CA THR A 66 4.928 -4.889 7.129 1.00 3.80 C ATOM 1048 C THR A 66 4.283 -3.524 6.895 1.00 4.60 C ATOM 1049 O THR A 66 4.545 -2.489 7.478 1.00 5.33 O ATOM 1050 CB THR A 66 4.547 -5.323 8.549 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.145 -6.612 8.674 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.039 -5.448 8.811 1.00 3.40 C ATOM 0 H THR A 66 6.915 -4.633 7.551 1.00 4.48 H new ATOM 0 HA THR A 66 4.550 -5.669 6.468 1.00 3.80 H new ATOM 0 HB THR A 66 4.883 -4.572 9.264 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.955 -6.976 9.564 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.873 -5.760 9.842 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.559 -4.484 8.642 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.612 -6.189 8.135 1.00 3.40 H new ATOM 1060 N LEU A 67 3.305 -3.476 5.947 1.00 4.17 N ATOM 1061 CA LEU A 67 2.589 -2.311 5.544 1.00 3.85 C ATOM 1062 C LEU A 67 1.149 -2.623 5.826 1.00 3.80 C ATOM 1063 O LEU A 67 0.787 -3.775 5.959 1.00 5.54 O ATOM 1064 CB LEU A 67 2.560 -2.056 3.961 1.00 7.18 C ATOM 1065 CG LEU A 67 3.750 -1.288 3.394 1.00 9.67 C ATOM 1066 CD1 LEU A 67 5.018 -2.110 3.534 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.528 -0.721 1.984 1.00 11.66 C ATOM 0 H LEU A 67 3.007 -4.310 5.440 1.00 4.17 H new ATOM 0 HA LEU A 67 3.054 -1.464 6.049 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.500 -3.021 3.457 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.649 -1.511 3.716 1.00 7.18 H new ATOM 0 HG LEU A 67 3.868 -0.389 3.998 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.860 -1.552 3.126 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.200 -2.322 4.588 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.906 -3.047 2.989 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.424 -0.191 1.660 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.319 -1.537 1.292 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.684 -0.032 1.998 1.00 11.66 H new ATOM 1079 N HIS A 68 0.336 -1.586 6.047 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.040 -1.713 6.454 1.00 4.17 C ATOM 1081 C HIS A 68 -2.040 -1.052 5.446 1.00 5.32 C ATOM 1082 O HIS A 68 -1.721 -0.143 4.722 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.286 -1.129 7.853 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.023 -2.129 8.963 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.174 -2.370 9.641 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.937 -2.924 9.597 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.071 -3.236 10.646 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.377 -3.610 10.624 1.00 16.30 N ATOM 0 H HIS A 68 0.637 -0.617 5.941 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.229 -2.786 6.472 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.646 -0.258 7.996 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.317 -0.781 7.920 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.977 -2.997 9.315 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.661 -3.580 11.361 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.840 -4.269 11.250 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.281 -1.616 5.310 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.213 -1.217 4.302 1.00 3.97 C ATOM 1098 C LEU A 69 -5.496 -0.770 4.933 1.00 5.07 C ATOM 1099 O LEU A 69 -6.121 -1.633 5.578 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.442 -2.417 3.265 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.532 -2.155 2.177 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.424 -0.885 1.308 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.704 -3.350 1.209 1.00 9.96 C ATOM 0 H LEU A 69 -3.627 -2.359 5.917 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.810 -0.371 3.746 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.497 -2.630 2.766 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.716 -3.312 3.824 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.395 -2.002 2.824 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.256 -0.854 0.605 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.456 -0.003 1.947 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.484 -0.900 0.757 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.473 -3.115 0.474 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.761 -3.543 0.698 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.999 -4.235 1.772 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.798 0.479 4.823 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.995 1.155 5.315 1.00 6.26 C ATOM 1117 C VAL A 70 -7.816 1.706 4.159 1.00 9.22 C ATOM 1118 O VAL A 70 -7.285 2.040 3.085 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.857 2.218 6.388 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.165 1.604 7.618 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.027 3.471 5.964 1.00 8.54 C ATOM 0 H VAL A 70 -5.171 1.128 4.348 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.497 0.343 5.842 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.872 2.557 6.593 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.062 2.362 8.394 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -6.764 0.776 7.997 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.178 1.238 7.335 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.982 4.176 6.794 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.017 3.164 5.694 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.502 3.949 5.107 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.171 1.606 4.333 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.016 1.850 3.192 1.00 16.06 C ATOM 1133 C LEU A 71 -10.943 2.953 3.478 1.00 18.09 C ATOM 1134 O LEU A 71 -11.356 3.212 4.610 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.745 0.517 2.844 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.922 -0.714 2.494 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.814 -1.903 2.240 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.934 -0.442 1.321 1.00 19.57 C ATOM 0 H LEU A 71 -9.647 1.372 5.204 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.434 2.161 2.324 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.376 0.258 3.694 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.409 0.717 2.003 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.301 -0.957 3.356 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.202 -2.770 1.992 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.400 -2.116 3.134 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.486 -1.683 1.410 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.367 -1.348 1.105 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.495 -0.145 0.435 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.248 0.357 1.601 1.00 19.57 H new