USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 619 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 58 THR OG1 : rot -170:sc= -0.455 USER MOD Set 1.2: A 63 TYR OH : rot 180:sc= 0.52 USER MOD Set 2.1: A 8 LYS NZ :NH3+ 140:sc= 1.14 (180deg=0.631) USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 4 SER OG : rot 26:sc= 0.0819 USER MOD Single : A 11 THR OG1 : rot -72:sc= 0.0459 USER MOD Single : A 12 THR OG1 : rot 64:sc= 0.25 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -171:sc=-0.00166 (180deg=-0.0898) USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.498 USER MOD Single : A 31 MET CE :methyl -164:sc= 0 (180deg=-0.279) USER MOD Single : A 33 LYS NZ :NH3+ -120:sc= 0.955 (180deg=-0.166) USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= 0.835 (180deg=0.609) USER MOD Single : A 37 GLN : amide:sc= -0.948 K(o=-0.95,f=-0.022) USER MOD Single : A 38 THR OG1 : rot -120:sc= -0.164 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot -120:sc= 0.236 USER MOD Single : A 50 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.6) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.645 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot -73:sc= 0.228 USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00906) USER MOD Single : A 75 THR OG1 : rot 30:sc= 0.186 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -3.056 -3.078 -1.335 1.00 0.00 N ATOM 29 CA SER A 4 -4.070 -2.058 -1.642 1.00 0.00 C ATOM 30 C SER A 4 -3.588 -1.156 -2.807 1.00 0.00 C ATOM 31 O SER A 4 -2.484 -1.348 -3.331 1.00 0.00 O ATOM 32 CB SER A 4 -4.363 -1.224 -0.373 1.00 0.00 C ATOM 33 OG SER A 4 -4.759 -2.055 0.711 1.00 0.00 O ATOM 0 HA SER A 4 -4.993 -2.545 -1.958 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.474 -0.658 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.149 -0.499 -0.585 1.00 0.00 H new ATOM 0 HG SER A 4 -4.389 -2.954 0.586 1.00 0.00 H new ATOM 39 N LEU A 5 -4.415 -0.169 -3.204 1.00 0.00 N ATOM 40 CA LEU A 5 -4.118 0.707 -4.352 1.00 0.00 C ATOM 41 C LEU A 5 -4.772 2.095 -4.206 1.00 0.00 C ATOM 42 O LEU A 5 -5.951 2.220 -3.864 1.00 0.00 O ATOM 43 CB LEU A 5 -4.473 0.009 -5.707 1.00 0.00 C ATOM 44 CG LEU A 5 -5.752 -0.902 -5.777 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.069 -0.096 -5.802 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.662 -1.861 -6.987 1.00 0.00 C ATOM 0 H LEU A 5 -5.300 0.042 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.042 0.883 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.581 0.788 -6.461 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.617 -0.600 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.775 -1.488 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.915 -0.782 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.143 0.508 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.080 0.556 -6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.554 -2.486 -7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.588 -1.281 -7.907 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.780 -2.493 -6.885 1.00 0.00 H new ATOM 58 N GLU A 6 -3.961 3.129 -4.496 1.00 0.00 N ATOM 59 CA GLU A 6 -4.310 4.539 -4.279 1.00 0.00 C ATOM 60 C GLU A 6 -5.101 5.095 -5.481 1.00 0.00 C ATOM 61 O GLU A 6 -4.519 5.524 -6.479 1.00 0.00 O ATOM 62 CB GLU A 6 -3.009 5.358 -4.058 1.00 0.00 C ATOM 63 CG GLU A 6 -3.240 6.853 -3.734 1.00 0.00 C ATOM 64 CD GLU A 6 -2.022 7.733 -4.057 1.00 0.00 C ATOM 65 OE1 GLU A 6 -1.102 7.842 -3.221 1.00 0.00 O ATOM 66 OE2 GLU A 6 -1.971 8.315 -5.164 1.00 0.00 O ATOM 0 H GLU A 6 -3.030 3.003 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.943 4.620 -3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.444 4.906 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.392 5.284 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.101 7.212 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.486 6.956 -2.677 1.00 0.00 H new ATOM 73 N ILE A 7 -6.427 5.048 -5.387 1.00 0.00 N ATOM 74 CA ILE A 7 -7.337 5.593 -6.419 1.00 0.00 C ATOM 75 C ILE A 7 -7.872 6.971 -5.992 1.00 0.00 C ATOM 76 O ILE A 7 -7.536 7.464 -4.914 1.00 0.00 O ATOM 77 CB ILE A 7 -8.522 4.605 -6.676 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.427 4.458 -5.401 1.00 0.00 C ATOM 79 CG2 ILE A 7 -7.966 3.234 -7.127 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.733 3.721 -5.630 1.00 0.00 C ATOM 0 H ILE A 7 -6.914 4.631 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.776 5.712 -7.346 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.150 5.009 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.862 3.935 -4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.650 5.452 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.793 2.547 -7.306 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.393 3.358 -8.046 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.320 2.829 -6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.290 3.669 -4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.325 4.252 -6.376 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.524 2.712 -5.985 1.00 0.00 H new ATOM 92 N LYS A 8 -8.714 7.584 -6.849 1.00 0.00 N ATOM 93 CA LYS A 8 -9.296 8.925 -6.609 1.00 0.00 C ATOM 94 C LYS A 8 -10.803 8.898 -6.940 1.00 0.00 C ATOM 95 O LYS A 8 -11.197 8.251 -7.906 1.00 0.00 O ATOM 96 CB LYS A 8 -8.577 9.981 -7.490 1.00 0.00 C ATOM 97 CG LYS A 8 -7.017 10.067 -7.310 1.00 0.00 C ATOM 98 CD LYS A 8 -6.238 9.739 -8.611 1.00 0.00 C ATOM 99 CE LYS A 8 -6.550 10.739 -9.745 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.914 10.365 -11.033 1.00 0.00 N ATOM 0 H LYS A 8 -9.012 7.164 -7.730 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.162 9.194 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.793 9.763 -8.536 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.004 10.960 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.750 11.070 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.709 9.377 -6.525 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.168 9.749 -8.404 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.490 8.730 -8.939 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.630 10.800 -9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.209 11.732 -9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.576 10.550 -11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.051 10.928 -11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.669 9.354 -11.019 1.00 0.00 H new ATOM 114 N ILE A 9 -11.650 9.567 -6.114 1.00 0.00 N ATOM 115 CA ILE A 9 -13.110 9.682 -6.368 1.00 0.00 C ATOM 116 C ILE A 9 -13.517 11.178 -6.412 1.00 0.00 C ATOM 117 O ILE A 9 -13.617 11.832 -5.366 1.00 0.00 O ATOM 118 CB ILE A 9 -14.017 8.933 -5.285 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.737 7.379 -5.206 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.531 9.182 -5.563 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.468 6.967 -4.471 1.00 0.00 C ATOM 0 H ILE A 9 -11.344 10.037 -5.262 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.288 9.193 -7.326 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.745 9.358 -4.319 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.587 6.901 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.689 6.986 -6.222 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.129 8.663 -4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.739 10.251 -5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.786 8.806 -6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.379 5.881 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.602 7.406 -4.966 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.514 7.319 -3.440 1.00 0.00 H new ATOM 133 N ARG A 10 -13.698 11.716 -7.624 1.00 0.00 N ATOM 134 CA ARG A 10 -14.287 13.053 -7.833 1.00 0.00 C ATOM 135 C ARG A 10 -15.767 13.049 -7.383 1.00 0.00 C ATOM 136 O ARG A 10 -16.557 12.229 -7.852 1.00 0.00 O ATOM 137 CB ARG A 10 -14.204 13.474 -9.329 1.00 0.00 C ATOM 138 CG ARG A 10 -14.804 14.874 -9.633 1.00 0.00 C ATOM 139 CD ARG A 10 -14.916 15.187 -11.136 1.00 0.00 C ATOM 140 NE ARG A 10 -15.536 16.509 -11.367 1.00 0.00 N ATOM 141 CZ ARG A 10 -16.122 16.917 -12.508 1.00 0.00 C ATOM 142 NH1 ARG A 10 -16.159 16.145 -13.582 1.00 0.00 N ATOM 143 NH2 ARG A 10 -16.643 18.131 -12.573 1.00 0.00 N ATOM 0 H ARG A 10 -13.442 11.241 -8.490 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.720 13.770 -7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.159 13.464 -9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.723 12.730 -9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.794 14.941 -9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.186 15.635 -9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.925 15.164 -11.589 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.508 14.415 -11.627 1.00 0.00 H new ATOM 0 HE ARG A 10 -15.518 17.172 -10.592 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.737 15.217 -13.558 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.609 16.478 -14.434 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.599 18.749 -11.763 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.089 18.449 -13.433 1.00 0.00 H new ATOM 157 N THR A 11 -16.118 13.948 -6.462 1.00 0.00 N ATOM 158 CA THR A 11 -17.499 14.100 -5.969 1.00 0.00 C ATOM 159 C THR A 11 -18.318 15.097 -6.817 1.00 0.00 C ATOM 160 O THR A 11 -17.778 15.775 -7.706 1.00 0.00 O ATOM 161 CB THR A 11 -17.462 14.607 -4.502 1.00 0.00 C ATOM 162 OG1 THR A 11 -16.798 15.877 -4.463 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.730 13.635 -3.577 1.00 0.00 C ATOM 0 H THR A 11 -15.456 14.595 -6.033 1.00 0.00 H new ATOM 0 HA THR A 11 -17.982 13.125 -6.038 1.00 0.00 H new ATOM 0 HB THR A 11 -18.491 14.693 -4.152 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.837 15.748 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.729 14.030 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.236 12.670 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.703 13.511 -3.919 1.00 0.00 H new ATOM 171 N THR A 12 -19.626 15.194 -6.503 1.00 0.00 N ATOM 172 CA THR A 12 -20.504 16.270 -7.004 1.00 0.00 C ATOM 173 C THR A 12 -20.145 17.627 -6.357 1.00 0.00 C ATOM 174 O THR A 12 -20.557 18.681 -6.848 1.00 0.00 O ATOM 175 CB THR A 12 -22.008 15.927 -6.734 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.150 15.394 -5.406 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.567 14.929 -7.757 1.00 0.00 C ATOM 0 H THR A 12 -20.103 14.528 -5.895 1.00 0.00 H new ATOM 0 HA THR A 12 -20.350 16.351 -8.080 1.00 0.00 H new ATOM 0 HB THR A 12 -22.580 16.850 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.899 16.078 -4.750 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.613 14.722 -7.529 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.491 15.353 -8.758 1.00 0.00 H new ATOM 0 HG23 THR A 12 -21.995 14.002 -7.711 1.00 0.00 H new ATOM 185 N GLU A 13 -19.378 17.581 -5.248 1.00 0.00 N ATOM 186 CA GLU A 13 -18.842 18.781 -4.583 1.00 0.00 C ATOM 187 C GLU A 13 -17.699 19.371 -5.438 1.00 0.00 C ATOM 188 O GLU A 13 -17.457 20.578 -5.431 1.00 0.00 O ATOM 189 CB GLU A 13 -18.317 18.435 -3.149 1.00 0.00 C ATOM 190 CG GLU A 13 -19.177 17.427 -2.347 1.00 0.00 C ATOM 191 CD GLU A 13 -20.669 17.794 -2.271 1.00 0.00 C ATOM 192 OE1 GLU A 13 -21.017 18.752 -1.555 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.497 17.119 -2.923 1.00 0.00 O ATOM 0 H GLU A 13 -19.114 16.709 -4.790 1.00 0.00 H new ATOM 0 HA GLU A 13 -19.641 19.515 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.307 18.034 -3.238 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.243 19.359 -2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.079 16.441 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.780 17.353 -1.334 1.00 0.00 H new ATOM 200 N GLY A 14 -17.018 18.477 -6.186 1.00 0.00 N ATOM 201 CA GLY A 14 -15.899 18.834 -7.056 1.00 0.00 C ATOM 202 C GLY A 14 -14.571 18.282 -6.551 1.00 0.00 C ATOM 203 O GLY A 14 -13.675 17.997 -7.356 1.00 0.00 O ATOM 0 H GLY A 14 -17.239 17.481 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.088 18.455 -8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.833 19.919 -7.132 1.00 0.00 H new ATOM 207 N ARG A 15 -14.453 18.130 -5.215 1.00 0.00 N ATOM 208 CA ARG A 15 -13.229 17.620 -4.547 1.00 0.00 C ATOM 209 C ARG A 15 -12.903 16.164 -4.977 1.00 0.00 C ATOM 210 O ARG A 15 -13.811 15.349 -5.191 1.00 0.00 O ATOM 211 CB ARG A 15 -13.386 17.698 -3.002 1.00 0.00 C ATOM 212 CG ARG A 15 -14.583 16.891 -2.441 1.00 0.00 C ATOM 213 CD ARG A 15 -14.545 16.713 -0.922 1.00 0.00 C ATOM 214 NE ARG A 15 -14.708 17.974 -0.177 1.00 0.00 N ATOM 215 CZ ARG A 15 -14.585 18.100 1.156 1.00 0.00 C ATOM 216 NH1 ARG A 15 -14.203 17.075 1.908 1.00 0.00 N ATOM 217 NH2 ARG A 15 -14.829 19.267 1.731 1.00 0.00 N ATOM 0 H ARG A 15 -15.205 18.357 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.397 18.253 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.469 17.336 -2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.500 18.743 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.510 17.394 -2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.601 15.909 -2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.333 16.021 -0.626 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.597 16.255 -0.642 1.00 0.00 H new ATOM 0 HE ARG A 15 -14.931 18.813 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.998 16.174 1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.115 17.188 2.918 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.109 20.067 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.737 19.367 2.742 1.00 0.00 H new ATOM 231 N THR A 16 -11.596 15.859 -5.092 1.00 0.00 N ATOM 232 CA THR A 16 -11.098 14.544 -5.533 1.00 0.00 C ATOM 233 C THR A 16 -10.513 13.764 -4.326 1.00 0.00 C ATOM 234 O THR A 16 -9.513 14.177 -3.728 1.00 0.00 O ATOM 235 CB THR A 16 -10.027 14.727 -6.656 1.00 0.00 C ATOM 236 OG1 THR A 16 -10.563 15.567 -7.689 1.00 0.00 O ATOM 237 CG2 THR A 16 -9.589 13.396 -7.280 1.00 0.00 C ATOM 0 H THR A 16 -10.852 16.524 -4.880 1.00 0.00 H new ATOM 0 HA THR A 16 -11.926 13.965 -5.943 1.00 0.00 H new ATOM 0 HB THR A 16 -9.150 15.180 -6.194 1.00 0.00 H new ATOM 0 HG1 THR A 16 -9.893 15.686 -8.395 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.844 13.584 -8.054 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.158 12.757 -6.509 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.453 12.899 -7.721 1.00 0.00 H new ATOM 245 N LEU A 17 -11.158 12.633 -3.993 1.00 0.00 N ATOM 246 CA LEU A 17 -10.878 11.848 -2.774 1.00 0.00 C ATOM 247 C LEU A 17 -9.840 10.753 -3.067 1.00 0.00 C ATOM 248 O LEU A 17 -10.195 9.658 -3.519 1.00 0.00 O ATOM 249 CB LEU A 17 -12.199 11.218 -2.249 1.00 0.00 C ATOM 250 CG LEU A 17 -13.400 12.201 -2.105 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.669 11.470 -1.645 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.061 13.383 -1.178 1.00 0.00 C ATOM 0 H LEU A 17 -11.898 12.232 -4.569 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.468 12.508 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.490 10.413 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.004 10.765 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.600 12.615 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.488 12.184 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.933 10.705 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.488 11.001 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.923 14.046 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.805 13.007 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.214 13.934 -1.586 1.00 0.00 H new ATOM 264 N THR A 18 -8.562 11.072 -2.842 1.00 0.00 N ATOM 265 CA THR A 18 -7.453 10.143 -3.098 1.00 0.00 C ATOM 266 C THR A 18 -7.312 9.150 -1.915 1.00 0.00 C ATOM 267 O THR A 18 -6.739 9.491 -0.872 1.00 0.00 O ATOM 268 CB THR A 18 -6.129 10.945 -3.318 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.347 11.979 -4.296 1.00 0.00 O ATOM 270 CG2 THR A 18 -4.977 10.051 -3.795 1.00 0.00 C ATOM 0 H THR A 18 -8.266 11.978 -2.479 1.00 0.00 H new ATOM 0 HA THR A 18 -7.661 9.570 -4.002 1.00 0.00 H new ATOM 0 HB THR A 18 -5.849 11.373 -2.355 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.517 12.482 -4.431 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.080 10.655 -3.933 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.783 9.279 -3.050 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.248 9.582 -4.741 1.00 0.00 H new ATOM 278 N VAL A 19 -7.879 7.936 -2.079 1.00 0.00 N ATOM 279 CA VAL A 19 -7.931 6.899 -1.018 1.00 0.00 C ATOM 280 C VAL A 19 -7.247 5.605 -1.497 1.00 0.00 C ATOM 281 O VAL A 19 -7.251 5.308 -2.696 1.00 0.00 O ATOM 282 CB VAL A 19 -9.428 6.588 -0.591 1.00 0.00 C ATOM 283 CG1 VAL A 19 -10.165 7.873 -0.120 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.232 5.878 -1.724 1.00 0.00 C ATOM 0 H VAL A 19 -8.316 7.643 -2.953 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.399 7.287 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.372 5.898 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -11.187 7.623 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.643 8.298 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.182 8.601 -0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.250 5.687 -1.383 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.259 6.517 -2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.750 4.933 -1.975 1.00 0.00 H new ATOM 294 N ASP A 20 -6.668 4.837 -0.562 1.00 0.00 N ATOM 295 CA ASP A 20 -6.058 3.527 -0.870 1.00 0.00 C ATOM 296 C ASP A 20 -6.980 2.399 -0.354 1.00 0.00 C ATOM 297 O ASP A 20 -7.360 2.379 0.822 1.00 0.00 O ATOM 298 CB ASP A 20 -4.612 3.423 -0.306 1.00 0.00 C ATOM 299 CG ASP A 20 -4.527 3.590 1.219 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.465 2.570 1.945 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.524 4.747 1.706 1.00 0.00 O ATOM 0 H ASP A 20 -6.607 5.100 0.422 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.963 3.420 -1.950 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.194 2.454 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.992 4.183 -0.780 1.00 0.00 H new ATOM 306 N VAL A 21 -7.382 1.504 -1.275 1.00 0.00 N ATOM 307 CA VAL A 21 -8.333 0.393 -1.024 1.00 0.00 C ATOM 308 C VAL A 21 -7.847 -0.885 -1.727 1.00 0.00 C ATOM 309 O VAL A 21 -7.063 -0.811 -2.668 1.00 0.00 O ATOM 310 CB VAL A 21 -9.780 0.748 -1.549 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.453 1.837 -0.682 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.726 1.176 -3.041 1.00 0.00 C ATOM 0 H VAL A 21 -7.050 1.529 -2.239 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.379 0.233 0.053 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.393 -0.150 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.446 2.053 -1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.539 1.483 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.849 2.744 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.731 1.417 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.086 2.052 -3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.323 0.359 -3.639 1.00 0.00 H new ATOM 322 N LYS A 22 -8.324 -2.044 -1.271 1.00 0.00 N ATOM 323 CA LYS A 22 -7.927 -3.345 -1.842 1.00 0.00 C ATOM 324 C LYS A 22 -8.770 -3.645 -3.101 1.00 0.00 C ATOM 325 O LYS A 22 -9.973 -3.395 -3.083 1.00 0.00 O ATOM 326 CB LYS A 22 -8.113 -4.459 -0.780 1.00 0.00 C ATOM 327 CG LYS A 22 -7.446 -4.141 0.574 1.00 0.00 C ATOM 328 CD LYS A 22 -7.658 -5.241 1.636 1.00 0.00 C ATOM 329 CE LYS A 22 -7.099 -4.842 3.011 1.00 0.00 C ATOM 330 NZ LYS A 22 -5.670 -4.463 2.941 1.00 0.00 N ATOM 0 H LYS A 22 -8.991 -2.115 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.877 -3.310 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.179 -4.623 -0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.702 -5.391 -1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.377 -3.998 0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.842 -3.199 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.723 -5.454 1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.177 -6.161 1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.676 -4.007 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.220 -5.673 3.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.293 -4.349 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.137 -5.207 2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -5.574 -3.566 2.423 1.00 0.00 H new ATOM 344 N PRO A 23 -8.164 -4.201 -4.206 1.00 0.00 N ATOM 345 CA PRO A 23 -8.917 -4.569 -5.444 1.00 0.00 C ATOM 346 C PRO A 23 -9.896 -5.746 -5.214 1.00 0.00 C ATOM 347 O PRO A 23 -10.777 -6.014 -6.041 1.00 0.00 O ATOM 348 CB PRO A 23 -7.792 -4.938 -6.452 1.00 0.00 C ATOM 349 CG PRO A 23 -6.648 -5.380 -5.588 1.00 0.00 C ATOM 350 CD PRO A 23 -6.709 -4.508 -4.349 1.00 0.00 C ATOM 0 HA PRO A 23 -9.557 -3.760 -5.797 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.109 -5.732 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.516 -4.084 -7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.738 -6.435 -5.329 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.697 -5.259 -6.106 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.321 -5.028 -3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.118 -3.600 -4.468 1.00 0.00 H new ATOM 358 N ASP A 24 -9.715 -6.424 -4.068 1.00 0.00 N ATOM 359 CA ASP A 24 -10.560 -7.537 -3.607 1.00 0.00 C ATOM 360 C ASP A 24 -11.946 -7.028 -3.171 1.00 0.00 C ATOM 361 O ASP A 24 -12.919 -7.791 -3.167 1.00 0.00 O ATOM 362 CB ASP A 24 -9.884 -8.245 -2.398 1.00 0.00 C ATOM 363 CG ASP A 24 -8.414 -8.626 -2.639 1.00 0.00 C ATOM 364 OD1 ASP A 24 -8.102 -9.825 -2.797 1.00 0.00 O ATOM 365 OD2 ASP A 24 -7.555 -7.719 -2.660 1.00 0.00 O ATOM 0 H ASP A 24 -8.957 -6.207 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.680 -8.237 -4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.941 -7.590 -1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.447 -9.146 -2.156 1.00 0.00 H new ATOM 370 N ARG A 25 -12.006 -5.730 -2.807 1.00 0.00 N ATOM 371 CA ARG A 25 -13.201 -5.095 -2.235 1.00 0.00 C ATOM 372 C ARG A 25 -14.295 -4.908 -3.294 1.00 0.00 C ATOM 373 O ARG A 25 -14.048 -5.067 -4.492 1.00 0.00 O ATOM 374 CB ARG A 25 -12.819 -3.723 -1.604 1.00 0.00 C ATOM 375 CG ARG A 25 -11.837 -3.815 -0.410 1.00 0.00 C ATOM 376 CD ARG A 25 -12.454 -4.495 0.820 1.00 0.00 C ATOM 377 NE ARG A 25 -11.461 -4.707 1.889 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.714 -4.670 3.211 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.905 -4.316 3.669 1.00 0.00 N ATOM 380 NH2 ARG A 25 -10.762 -4.978 4.072 1.00 0.00 N ATOM 0 H ARG A 25 -11.216 -5.092 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.598 -5.750 -1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.375 -3.094 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.729 -3.225 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.950 -4.368 -0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.509 -2.812 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.272 -3.883 1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.883 -5.454 0.528 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.501 -4.898 1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.648 -4.066 3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.079 -4.294 4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.836 -5.243 3.736 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.952 -4.950 5.074 1.00 0.00 H new ATOM 394 N THR A 26 -15.505 -4.574 -2.830 1.00 0.00 N ATOM 395 CA THR A 26 -16.654 -4.280 -3.696 1.00 0.00 C ATOM 396 C THR A 26 -16.764 -2.768 -3.915 1.00 0.00 C ATOM 397 O THR A 26 -16.114 -1.978 -3.210 1.00 0.00 O ATOM 398 CB THR A 26 -17.981 -4.825 -3.075 1.00 0.00 C ATOM 399 OG1 THR A 26 -18.201 -4.239 -1.783 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.966 -6.356 -2.936 1.00 0.00 C ATOM 0 H THR A 26 -15.716 -4.499 -1.835 1.00 0.00 H new ATOM 0 HA THR A 26 -16.497 -4.777 -4.653 1.00 0.00 H new ATOM 0 HB THR A 26 -18.789 -4.551 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.943 -4.699 -1.337 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.907 -6.691 -2.500 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.839 -6.809 -3.919 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.141 -6.655 -2.290 1.00 0.00 H new ATOM 408 N ILE A 27 -17.587 -2.366 -4.889 1.00 0.00 N ATOM 409 CA ILE A 27 -17.843 -0.947 -5.175 1.00 0.00 C ATOM 410 C ILE A 27 -18.594 -0.298 -3.988 1.00 0.00 C ATOM 411 O ILE A 27 -18.462 0.899 -3.768 1.00 0.00 O ATOM 412 CB ILE A 27 -18.623 -0.774 -6.538 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.798 -1.360 -7.731 1.00 0.00 C ATOM 414 CG2 ILE A 27 -19.027 0.696 -6.819 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.437 -0.724 -7.962 1.00 0.00 C ATOM 0 H ILE A 27 -18.092 -3.009 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.890 -0.431 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.550 -1.340 -6.439 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.657 -2.428 -7.562 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.387 -1.257 -8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.559 0.752 -7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.674 1.055 -6.019 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -18.132 1.316 -6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -15.951 -1.204 -8.811 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.562 0.339 -8.169 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.821 -0.850 -7.072 1.00 0.00 H new ATOM 427 N GLU A 28 -19.327 -1.128 -3.198 1.00 0.00 N ATOM 428 CA GLU A 28 -19.950 -0.727 -1.903 1.00 0.00 C ATOM 429 C GLU A 28 -18.914 -0.078 -0.958 1.00 0.00 C ATOM 430 O GLU A 28 -19.205 0.912 -0.282 1.00 0.00 O ATOM 431 CB GLU A 28 -20.539 -1.965 -1.185 1.00 0.00 C ATOM 432 CG GLU A 28 -21.643 -2.701 -1.955 1.00 0.00 C ATOM 433 CD GLU A 28 -22.038 -4.031 -1.306 1.00 0.00 C ATOM 434 OE1 GLU A 28 -21.349 -5.048 -1.551 1.00 0.00 O ATOM 435 OE2 GLU A 28 -23.018 -4.064 -0.532 1.00 0.00 O ATOM 0 H GLU A 28 -19.505 -2.102 -3.442 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.735 -0.007 -2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.730 -2.667 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -20.938 -1.650 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.522 -2.060 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.306 -2.886 -2.975 1.00 0.00 H new ATOM 442 N GLU A 29 -17.717 -0.694 -0.914 1.00 0.00 N ATOM 443 CA GLU A 29 -16.568 -0.194 -0.139 1.00 0.00 C ATOM 444 C GLU A 29 -16.085 1.164 -0.655 1.00 0.00 C ATOM 445 O GLU A 29 -15.668 1.992 0.130 1.00 0.00 O ATOM 446 CB GLU A 29 -15.410 -1.238 -0.138 1.00 0.00 C ATOM 447 CG GLU A 29 -15.620 -2.414 0.836 1.00 0.00 C ATOM 448 CD GLU A 29 -15.460 -1.981 2.303 1.00 0.00 C ATOM 449 OE1 GLU A 29 -14.315 -1.995 2.809 1.00 0.00 O ATOM 450 OE2 GLU A 29 -16.450 -1.578 2.941 1.00 0.00 O ATOM 0 H GLU A 29 -17.520 -1.558 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.900 -0.049 0.889 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.291 -1.633 -1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.479 -0.731 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.615 -2.834 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.904 -3.204 0.611 1.00 0.00 H new ATOM 457 N LEU A 30 -16.161 1.394 -1.968 1.00 0.00 N ATOM 458 CA LEU A 30 -15.806 2.708 -2.549 1.00 0.00 C ATOM 459 C LEU A 30 -16.833 3.760 -2.143 1.00 0.00 C ATOM 460 O LEU A 30 -16.464 4.875 -1.789 1.00 0.00 O ATOM 461 CB LEU A 30 -15.677 2.619 -4.081 1.00 0.00 C ATOM 462 CG LEU A 30 -14.639 1.569 -4.579 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.487 1.601 -6.110 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.274 1.748 -3.872 1.00 0.00 C ATOM 0 H LEU A 30 -16.462 0.699 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.835 3.008 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.652 2.376 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.398 3.599 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.022 0.584 -4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.755 0.855 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.448 1.381 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.151 2.590 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.572 1.000 -4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.885 2.745 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.402 1.625 -2.797 1.00 0.00 H new ATOM 476 N MET A 31 -18.118 3.353 -2.167 1.00 0.00 N ATOM 477 CA MET A 31 -19.259 4.182 -1.739 1.00 0.00 C ATOM 478 C MET A 31 -19.126 4.556 -0.243 1.00 0.00 C ATOM 479 O MET A 31 -19.522 5.651 0.177 1.00 0.00 O ATOM 480 CB MET A 31 -20.606 3.451 -2.025 1.00 0.00 C ATOM 481 CG MET A 31 -20.756 2.920 -3.460 1.00 0.00 C ATOM 482 SD MET A 31 -22.459 2.596 -3.968 1.00 0.00 S ATOM 483 CE MET A 31 -22.979 4.230 -4.497 1.00 0.00 C ATOM 0 H MET A 31 -18.395 2.426 -2.489 1.00 0.00 H new ATOM 0 HA MET A 31 -19.254 5.107 -2.316 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.705 2.616 -1.331 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.427 4.137 -1.818 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.317 3.642 -4.148 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.181 1.999 -3.554 1.00 0.00 H new ATOM 0 HE1 MET A 31 -24.066 4.261 -4.567 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.641 4.972 -3.773 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.546 4.452 -5.472 1.00 0.00 H new ATOM 493 N GLU A 32 -18.528 3.637 0.535 1.00 0.00 N ATOM 494 CA GLU A 32 -18.227 3.837 1.959 1.00 0.00 C ATOM 495 C GLU A 32 -17.120 4.877 2.140 1.00 0.00 C ATOM 496 O GLU A 32 -17.251 5.810 2.933 1.00 0.00 O ATOM 497 CB GLU A 32 -17.775 2.498 2.605 1.00 0.00 C ATOM 498 CG GLU A 32 -17.596 2.550 4.138 1.00 0.00 C ATOM 499 CD GLU A 32 -18.879 2.972 4.872 1.00 0.00 C ATOM 500 OE1 GLU A 32 -18.970 4.123 5.360 1.00 0.00 O ATOM 501 OE2 GLU A 32 -19.825 2.152 4.927 1.00 0.00 O ATOM 0 H GLU A 32 -18.237 2.724 0.186 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.134 4.193 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.508 1.728 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.832 2.192 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.283 1.569 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -16.796 3.249 4.383 1.00 0.00 H new ATOM 508 N LYS A 33 -16.030 4.674 1.390 1.00 0.00 N ATOM 509 CA LYS A 33 -14.813 5.505 1.468 1.00 0.00 C ATOM 510 C LYS A 33 -15.112 6.964 1.113 1.00 0.00 C ATOM 511 O LYS A 33 -14.670 7.863 1.813 1.00 0.00 O ATOM 512 CB LYS A 33 -13.669 4.912 0.582 1.00 0.00 C ATOM 513 CG LYS A 33 -12.788 3.826 1.273 1.00 0.00 C ATOM 514 CD LYS A 33 -13.574 2.850 2.189 1.00 0.00 C ATOM 515 CE LYS A 33 -12.782 1.584 2.562 1.00 0.00 C ATOM 516 NZ LYS A 33 -13.582 0.672 3.422 1.00 0.00 N ATOM 0 H LYS A 33 -15.963 3.922 0.704 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.463 5.492 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.113 4.480 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -13.023 5.728 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -12.274 3.249 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.020 4.322 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.860 3.372 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.496 2.557 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.483 1.060 1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.867 1.867 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.095 0.535 4.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.520 1.088 3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.692 -0.246 2.946 1.00 0.00 H new ATOM 530 N LEU A 34 -15.898 7.192 0.051 1.00 0.00 N ATOM 531 CA LEU A 34 -16.282 8.556 -0.359 1.00 0.00 C ATOM 532 C LEU A 34 -17.256 9.184 0.656 1.00 0.00 C ATOM 533 O LEU A 34 -17.184 10.385 0.915 1.00 0.00 O ATOM 534 CB LEU A 34 -16.829 8.565 -1.824 1.00 0.00 C ATOM 535 CG LEU A 34 -18.045 7.626 -2.151 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.417 8.296 -1.895 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.956 7.063 -3.584 1.00 0.00 C ATOM 0 H LEU A 34 -16.281 6.454 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.393 9.186 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.118 9.587 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -16.009 8.298 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.977 6.791 -1.454 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.215 7.596 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.493 8.580 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.510 9.185 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.813 6.418 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.954 7.886 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.037 6.487 -3.692 1.00 0.00 H new ATOM 549 N LYS A 35 -18.125 8.349 1.262 1.00 0.00 N ATOM 550 CA LYS A 35 -19.072 8.793 2.307 1.00 0.00 C ATOM 551 C LYS A 35 -18.324 9.352 3.536 1.00 0.00 C ATOM 552 O LYS A 35 -18.612 10.460 3.987 1.00 0.00 O ATOM 553 CB LYS A 35 -20.012 7.618 2.705 1.00 0.00 C ATOM 554 CG LYS A 35 -20.875 7.828 3.978 1.00 0.00 C ATOM 555 CD LYS A 35 -21.803 9.060 3.902 1.00 0.00 C ATOM 556 CE LYS A 35 -22.574 9.286 5.206 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.425 10.494 5.138 1.00 0.00 N ATOM 0 H LYS A 35 -18.191 7.355 1.043 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.681 9.602 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.681 7.416 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.402 6.726 2.848 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.481 6.938 4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.216 7.933 4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.210 9.946 3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.510 8.930 3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.195 8.415 5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -21.870 9.383 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.659 10.809 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.914 11.251 4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.302 10.273 4.624 1.00 0.00 H new ATOM 571 N GLU A 36 -17.361 8.581 4.060 1.00 0.00 N ATOM 572 CA GLU A 36 -16.593 8.964 5.266 1.00 0.00 C ATOM 573 C GLU A 36 -15.637 10.152 4.976 1.00 0.00 C ATOM 574 O GLU A 36 -15.308 10.920 5.887 1.00 0.00 O ATOM 575 CB GLU A 36 -15.830 7.731 5.834 1.00 0.00 C ATOM 576 CG GLU A 36 -14.802 7.105 4.871 1.00 0.00 C ATOM 577 CD GLU A 36 -14.185 5.798 5.386 1.00 0.00 C ATOM 578 OE1 GLU A 36 -14.765 4.712 5.156 1.00 0.00 O ATOM 579 OE2 GLU A 36 -13.116 5.851 6.034 1.00 0.00 O ATOM 0 H GLU A 36 -17.089 7.680 3.668 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.295 9.305 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.316 8.029 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.557 6.968 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.285 6.915 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.004 7.825 4.688 1.00 0.00 H new ATOM 586 N GLN A 37 -15.222 10.301 3.697 1.00 0.00 N ATOM 587 CA GLN A 37 -14.341 11.403 3.241 1.00 0.00 C ATOM 588 C GLN A 37 -15.078 12.759 3.200 1.00 0.00 C ATOM 589 O GLN A 37 -14.773 13.654 3.988 1.00 0.00 O ATOM 590 CB GLN A 37 -13.738 11.065 1.846 1.00 0.00 C ATOM 591 CG GLN A 37 -12.589 10.032 1.866 1.00 0.00 C ATOM 592 CD GLN A 37 -11.243 10.594 2.337 1.00 0.00 C ATOM 593 OE1 GLN A 37 -10.461 9.907 2.993 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.937 11.827 1.960 1.00 0.00 N ATOM 0 H GLN A 37 -15.489 9.660 2.950 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.534 11.500 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.534 10.688 1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.371 11.986 1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.872 9.204 2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.467 9.622 0.863 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -11.604 12.375 1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.034 12.228 2.213 1.00 0.00 H new ATOM 603 N THR A 38 -16.050 12.895 2.287 1.00 0.00 N ATOM 604 CA THR A 38 -16.707 14.194 1.999 1.00 0.00 C ATOM 605 C THR A 38 -18.007 14.381 2.816 1.00 0.00 C ATOM 606 O THR A 38 -18.378 15.519 3.129 1.00 0.00 O ATOM 607 CB THR A 38 -16.980 14.352 0.464 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.584 15.624 0.170 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.863 13.237 -0.095 1.00 0.00 C ATOM 0 H THR A 38 -16.406 12.120 1.728 1.00 0.00 H new ATOM 0 HA THR A 38 -16.019 14.981 2.309 1.00 0.00 H new ATOM 0 HB THR A 38 -16.006 14.288 -0.020 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.457 15.482 -0.251 1.00 0.00 H new ATOM 0 HG21 THR A 38 -18.019 13.397 -1.162 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.375 12.275 0.060 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.825 13.243 0.418 1.00 0.00 H new ATOM 617 N GLY A 39 -18.689 13.264 3.158 1.00 0.00 N ATOM 618 CA GLY A 39 -19.908 13.303 3.990 1.00 0.00 C ATOM 619 C GLY A 39 -21.193 13.035 3.219 1.00 0.00 C ATOM 620 O GLY A 39 -22.250 12.832 3.833 1.00 0.00 O ATOM 0 H GLY A 39 -18.414 12.325 2.869 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.815 12.566 4.788 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.979 14.281 4.466 1.00 0.00 H new ATOM 624 N VAL A 40 -21.103 13.034 1.876 1.00 0.00 N ATOM 625 CA VAL A 40 -22.264 12.869 0.986 1.00 0.00 C ATOM 626 C VAL A 40 -22.786 11.400 1.053 1.00 0.00 C ATOM 627 O VAL A 40 -21.972 10.463 1.044 1.00 0.00 O ATOM 628 CB VAL A 40 -21.910 13.309 -0.502 1.00 0.00 C ATOM 629 CG1 VAL A 40 -21.096 12.242 -1.279 1.00 0.00 C ATOM 630 CG2 VAL A 40 -23.167 13.742 -1.284 1.00 0.00 C ATOM 0 H VAL A 40 -20.220 13.148 1.378 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.066 13.524 1.327 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.259 14.178 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.888 12.605 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.156 12.052 -0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.671 11.318 -1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -22.884 14.035 -2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -23.871 12.911 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.636 14.587 -0.780 1.00 0.00 H new ATOM 640 N PRO A 41 -24.142 11.181 1.190 1.00 0.00 N ATOM 641 CA PRO A 41 -24.738 9.824 1.255 1.00 0.00 C ATOM 642 C PRO A 41 -24.478 9.024 -0.047 1.00 0.00 C ATOM 643 O PRO A 41 -24.792 9.518 -1.136 1.00 0.00 O ATOM 644 CB PRO A 41 -26.259 10.089 1.472 1.00 0.00 C ATOM 645 CG PRO A 41 -26.468 11.497 0.999 1.00 0.00 C ATOM 646 CD PRO A 41 -25.185 12.231 1.317 1.00 0.00 C ATOM 0 HA PRO A 41 -24.304 9.217 2.050 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.869 9.386 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.535 9.978 2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.679 11.523 -0.070 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.318 11.957 1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -25.012 13.054 0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -25.205 12.657 2.320 1.00 0.00 H new ATOM 654 N PRO A 42 -23.915 7.777 0.054 1.00 0.00 N ATOM 655 CA PRO A 42 -23.468 7.010 -1.126 1.00 0.00 C ATOM 656 C PRO A 42 -24.624 6.632 -2.071 1.00 0.00 C ATOM 657 O PRO A 42 -24.469 6.700 -3.290 1.00 0.00 O ATOM 658 CB PRO A 42 -22.784 5.759 -0.519 1.00 0.00 C ATOM 659 CG PRO A 42 -23.289 5.645 0.892 1.00 0.00 C ATOM 660 CD PRO A 42 -23.669 7.040 1.325 1.00 0.00 C ATOM 0 HA PRO A 42 -22.798 7.594 -1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.029 4.865 -1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.699 5.862 -0.537 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -24.147 4.975 0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.522 5.231 1.546 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.558 7.030 1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.872 7.506 1.905 1.00 0.00 H new ATOM 668 N GLU A 43 -25.782 6.272 -1.481 1.00 0.00 N ATOM 669 CA GLU A 43 -27.002 5.870 -2.223 1.00 0.00 C ATOM 670 C GLU A 43 -27.527 6.993 -3.150 1.00 0.00 C ATOM 671 O GLU A 43 -28.148 6.716 -4.171 1.00 0.00 O ATOM 672 CB GLU A 43 -28.109 5.425 -1.229 1.00 0.00 C ATOM 673 CG GLU A 43 -28.424 6.459 -0.120 1.00 0.00 C ATOM 674 CD GLU A 43 -29.567 6.021 0.805 1.00 0.00 C ATOM 675 OE1 GLU A 43 -30.690 6.543 0.673 1.00 0.00 O ATOM 676 OE2 GLU A 43 -29.354 5.125 1.643 1.00 0.00 O ATOM 0 H GLU A 43 -25.901 6.251 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 43 -26.731 5.031 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.022 5.220 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -27.805 4.489 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.527 6.628 0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.684 7.411 -0.583 1.00 0.00 H new ATOM 683 N GLN A 44 -27.238 8.249 -2.787 1.00 0.00 N ATOM 684 CA GLN A 44 -27.660 9.448 -3.544 1.00 0.00 C ATOM 685 C GLN A 44 -26.823 9.603 -4.832 1.00 0.00 C ATOM 686 O GLN A 44 -27.227 10.304 -5.761 1.00 0.00 O ATOM 687 CB GLN A 44 -27.507 10.696 -2.628 1.00 0.00 C ATOM 688 CG GLN A 44 -27.921 12.042 -3.254 1.00 0.00 C ATOM 689 CD GLN A 44 -27.618 13.240 -2.348 1.00 0.00 C ATOM 690 OE1 GLN A 44 -28.448 13.641 -1.530 1.00 0.00 O ATOM 691 NE2 GLN A 44 -26.427 13.811 -2.481 1.00 0.00 N ATOM 0 H GLN A 44 -26.698 8.470 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.703 9.344 -3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -28.101 10.538 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -26.466 10.768 -2.314 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -27.401 12.170 -4.203 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -28.988 12.021 -3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -25.764 13.453 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -26.175 14.607 -1.896 1.00 0.00 H new ATOM 700 N LEU A 45 -25.659 8.930 -4.872 1.00 0.00 N ATOM 701 CA LEU A 45 -24.703 8.999 -5.994 1.00 0.00 C ATOM 702 C LEU A 45 -24.506 7.624 -6.655 1.00 0.00 C ATOM 703 O LEU A 45 -25.068 6.605 -6.228 1.00 0.00 O ATOM 704 CB LEU A 45 -23.314 9.546 -5.518 1.00 0.00 C ATOM 705 CG LEU A 45 -23.238 11.046 -5.067 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.854 11.980 -6.125 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.867 11.260 -3.683 1.00 0.00 C ATOM 0 H LEU A 45 -25.351 8.316 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.127 9.684 -6.728 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.977 8.928 -4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.601 9.403 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.183 11.305 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.786 13.013 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.312 11.873 -7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.901 11.717 -6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.793 12.312 -3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.916 10.965 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.339 10.655 -2.946 1.00 0.00 H new ATOM 719 N ARG A 46 -23.696 7.645 -7.728 1.00 0.00 N ATOM 720 CA ARG A 46 -23.234 6.464 -8.468 1.00 0.00 C ATOM 721 C ARG A 46 -21.719 6.581 -8.632 1.00 0.00 C ATOM 722 O ARG A 46 -21.227 7.640 -9.048 1.00 0.00 O ATOM 723 CB ARG A 46 -23.894 6.394 -9.877 1.00 0.00 C ATOM 724 CG ARG A 46 -25.419 6.234 -9.865 1.00 0.00 C ATOM 725 CD ARG A 46 -26.047 6.415 -11.254 1.00 0.00 C ATOM 726 NE ARG A 46 -27.468 6.027 -11.245 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.332 6.183 -12.254 1.00 0.00 C ATOM 728 NH1 ARG A 46 -28.012 6.885 -13.335 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.532 5.638 -12.166 1.00 0.00 N ATOM 0 H ARG A 46 -23.334 8.517 -8.115 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.507 5.562 -7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.642 7.301 -10.426 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.459 5.558 -10.425 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.673 5.245 -9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.851 6.962 -9.178 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.952 7.455 -11.567 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.506 5.812 -11.983 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.826 5.600 -10.391 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -27.091 7.318 -13.408 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.687 6.991 -14.093 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.791 5.105 -11.335 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.200 5.750 -12.929 1.00 0.00 H new ATOM 743 N VAL A 47 -20.992 5.507 -8.294 1.00 0.00 N ATOM 744 CA VAL A 47 -19.557 5.406 -8.575 1.00 0.00 C ATOM 745 C VAL A 47 -19.392 5.104 -10.071 1.00 0.00 C ATOM 746 O VAL A 47 -19.948 4.130 -10.574 1.00 0.00 O ATOM 747 CB VAL A 47 -18.871 4.293 -7.704 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.377 4.125 -8.056 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.049 4.590 -6.199 1.00 0.00 C ATOM 0 H VAL A 47 -21.380 4.691 -7.822 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.068 6.346 -8.318 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.366 3.349 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.941 3.346 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.280 3.845 -9.105 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.854 5.065 -7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.566 3.807 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.595 5.552 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.111 4.621 -5.957 1.00 0.00 H new ATOM 759 N ILE A 48 -18.676 5.987 -10.771 1.00 0.00 N ATOM 760 CA ILE A 48 -18.504 5.939 -12.235 1.00 0.00 C ATOM 761 C ILE A 48 -17.003 5.804 -12.561 1.00 0.00 C ATOM 762 O ILE A 48 -16.176 6.383 -11.875 1.00 0.00 O ATOM 763 CB ILE A 48 -19.102 7.244 -12.900 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.588 7.479 -12.460 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.997 7.208 -14.439 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.582 6.420 -12.909 1.00 0.00 C ATOM 0 H ILE A 48 -18.189 6.770 -10.335 1.00 0.00 H new ATOM 0 HA ILE A 48 -19.039 5.079 -12.638 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.500 8.081 -12.545 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.620 7.544 -11.372 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.914 8.445 -12.846 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -19.419 8.123 -14.854 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.950 7.127 -14.730 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.548 6.348 -14.821 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.578 6.681 -12.551 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.590 6.367 -13.998 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -21.292 5.452 -12.501 1.00 0.00 H new ATOM 778 N TYR A 49 -16.667 5.045 -13.612 1.00 0.00 N ATOM 779 CA TYR A 49 -15.279 4.795 -14.046 1.00 0.00 C ATOM 780 C TYR A 49 -15.210 4.941 -15.562 1.00 0.00 C ATOM 781 O TYR A 49 -15.763 4.102 -16.284 1.00 0.00 O ATOM 782 CB TYR A 49 -14.843 3.377 -13.612 1.00 0.00 C ATOM 783 CG TYR A 49 -13.454 2.896 -14.074 1.00 0.00 C ATOM 784 CD1 TYR A 49 -13.279 2.184 -15.270 1.00 0.00 C ATOM 785 CD2 TYR A 49 -12.328 3.100 -13.283 1.00 0.00 C ATOM 786 CE1 TYR A 49 -12.045 1.689 -15.633 1.00 0.00 C ATOM 787 CE2 TYR A 49 -11.095 2.616 -13.651 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.955 1.911 -14.823 1.00 0.00 C ATOM 789 OH TYR A 49 -9.727 1.399 -15.163 1.00 0.00 O ATOM 0 H TYR A 49 -17.360 4.578 -14.197 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.603 5.514 -13.584 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.871 3.333 -12.523 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.585 2.668 -13.979 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.127 2.021 -15.918 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -12.425 3.651 -12.359 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.934 1.129 -16.550 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.236 2.790 -13.019 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.417 0.796 -14.456 1.00 0.00 H new ATOM 799 N ASN A 50 -14.569 6.031 -16.023 1.00 0.00 N ATOM 800 CA ASN A 50 -14.351 6.317 -17.455 1.00 0.00 C ATOM 801 C ASN A 50 -15.692 6.475 -18.222 1.00 0.00 C ATOM 802 O ASN A 50 -15.728 6.365 -19.455 1.00 0.00 O ATOM 803 CB ASN A 50 -13.431 5.231 -18.104 1.00 0.00 C ATOM 804 CG ASN A 50 -12.005 5.197 -17.532 1.00 0.00 C ATOM 805 OD1 ASN A 50 -11.500 6.193 -17.022 1.00 0.00 O ATOM 806 ND2 ASN A 50 -11.339 4.060 -17.645 1.00 0.00 N ATOM 0 H ASN A 50 -14.183 6.746 -15.406 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.836 7.275 -17.529 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.890 4.252 -17.967 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.377 5.410 -19.178 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.380 3.995 -17.304 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -11.784 3.248 -18.073 1.00 0.00 H new ATOM 813 N GLY A 51 -16.778 6.782 -17.473 1.00 0.00 N ATOM 814 CA GLY A 51 -18.128 6.947 -18.038 1.00 0.00 C ATOM 815 C GLY A 51 -19.062 5.776 -17.741 1.00 0.00 C ATOM 816 O GLY A 51 -20.272 5.884 -17.960 1.00 0.00 O ATOM 0 H GLY A 51 -16.737 6.921 -16.463 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.569 7.862 -17.643 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.048 7.072 -19.118 1.00 0.00 H new ATOM 820 N ARG A 52 -18.504 4.656 -17.243 1.00 0.00 N ATOM 821 CA ARG A 52 -19.272 3.431 -16.944 1.00 0.00 C ATOM 822 C ARG A 52 -19.861 3.486 -15.529 1.00 0.00 C ATOM 823 O ARG A 52 -19.161 3.843 -14.586 1.00 0.00 O ATOM 824 CB ARG A 52 -18.378 2.167 -17.092 1.00 0.00 C ATOM 825 CG ARG A 52 -19.095 0.841 -16.734 1.00 0.00 C ATOM 826 CD ARG A 52 -18.277 -0.411 -17.060 1.00 0.00 C ATOM 827 NE ARG A 52 -19.054 -1.645 -16.832 1.00 0.00 N ATOM 828 CZ ARG A 52 -18.571 -2.900 -16.899 1.00 0.00 C ATOM 829 NH1 ARG A 52 -17.300 -3.131 -17.204 1.00 0.00 N ATOM 830 NH2 ARG A 52 -19.375 -3.921 -16.652 1.00 0.00 N ATOM 0 H ARG A 52 -17.508 4.574 -17.037 1.00 0.00 H new ATOM 0 HA ARG A 52 -20.089 3.370 -17.663 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -18.018 2.107 -18.119 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -17.502 2.278 -16.453 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -19.331 0.842 -15.670 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -20.042 0.795 -17.271 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.952 -0.373 -18.100 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -17.377 -0.428 -16.445 1.00 0.00 H new ATOM 0 HE ARG A 52 -20.042 -1.538 -16.604 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.671 -2.351 -17.392 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.953 -4.089 -17.250 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -20.352 -3.754 -16.413 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.017 -4.875 -16.701 1.00 0.00 H new ATOM 844 N GLU A 53 -21.149 3.126 -15.396 1.00 0.00 N ATOM 845 CA GLU A 53 -21.805 2.992 -14.089 1.00 0.00 C ATOM 846 C GLU A 53 -21.326 1.693 -13.414 1.00 0.00 C ATOM 847 O GLU A 53 -21.443 0.606 -13.999 1.00 0.00 O ATOM 848 CB GLU A 53 -23.341 2.974 -14.247 1.00 0.00 C ATOM 849 CG GLU A 53 -24.138 3.110 -12.919 1.00 0.00 C ATOM 850 CD GLU A 53 -25.634 2.762 -13.053 1.00 0.00 C ATOM 851 OE1 GLU A 53 -26.447 3.233 -12.230 1.00 0.00 O ATOM 852 OE2 GLU A 53 -26.007 1.997 -13.976 1.00 0.00 O ATOM 0 H GLU A 53 -21.759 2.921 -16.187 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.539 3.848 -13.468 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.633 3.786 -14.913 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.631 2.043 -14.734 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.689 2.460 -12.168 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -24.044 4.132 -12.553 1.00 0.00 H new ATOM 859 N LEU A 54 -20.776 1.815 -12.200 1.00 0.00 N ATOM 860 CA LEU A 54 -20.216 0.679 -11.456 1.00 0.00 C ATOM 861 C LEU A 54 -21.257 0.146 -10.470 1.00 0.00 C ATOM 862 O LEU A 54 -21.773 0.896 -9.629 1.00 0.00 O ATOM 863 CB LEU A 54 -18.915 1.071 -10.704 1.00 0.00 C ATOM 864 CG LEU A 54 -17.778 1.739 -11.557 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.435 1.723 -10.796 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.656 1.091 -12.959 1.00 0.00 C ATOM 0 H LEU A 54 -20.706 2.704 -11.705 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.958 -0.101 -12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.181 1.755 -9.898 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.508 0.173 -10.239 1.00 0.00 H new ATOM 0 HG LEU A 54 -18.052 2.782 -11.717 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.664 2.191 -11.408 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.540 2.273 -9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.151 0.693 -10.581 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.859 1.581 -13.518 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.425 0.031 -12.851 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.598 1.204 -13.496 1.00 0.00 H new ATOM 878 N GLU A 55 -21.559 -1.149 -10.605 1.00 0.00 N ATOM 879 CA GLU A 55 -22.529 -1.841 -9.754 1.00 0.00 C ATOM 880 C GLU A 55 -21.911 -2.069 -8.363 1.00 0.00 C ATOM 881 O GLU A 55 -20.795 -2.596 -8.286 1.00 0.00 O ATOM 882 CB GLU A 55 -22.933 -3.191 -10.389 1.00 0.00 C ATOM 883 CG GLU A 55 -23.367 -3.090 -11.862 1.00 0.00 C ATOM 884 CD GLU A 55 -23.813 -4.447 -12.428 1.00 0.00 C ATOM 885 OE1 GLU A 55 -22.960 -5.185 -12.965 1.00 0.00 O ATOM 886 OE2 GLU A 55 -25.010 -4.792 -12.312 1.00 0.00 O ATOM 0 H GLU A 55 -21.134 -1.749 -11.312 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.425 -1.228 -9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.092 -3.880 -10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.750 -3.622 -9.810 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -24.185 -2.375 -11.950 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.540 -2.704 -12.457 1.00 0.00 H new ATOM 893 N PRO A 56 -22.635 -1.700 -7.251 1.00 0.00 N ATOM 894 CA PRO A 56 -22.094 -1.763 -5.868 1.00 0.00 C ATOM 895 C PRO A 56 -21.614 -3.185 -5.495 1.00 0.00 C ATOM 896 O PRO A 56 -20.537 -3.355 -4.909 1.00 0.00 O ATOM 897 CB PRO A 56 -23.285 -1.281 -4.982 1.00 0.00 C ATOM 898 CG PRO A 56 -24.501 -1.462 -5.843 1.00 0.00 C ATOM 899 CD PRO A 56 -24.038 -1.201 -7.257 1.00 0.00 C ATOM 0 HA PRO A 56 -21.206 -1.145 -5.736 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.359 -1.866 -4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -23.161 -0.239 -4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -24.906 -2.469 -5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.292 -0.770 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.651 -1.731 -7.986 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -24.088 -0.142 -7.508 1.00 0.00 H new ATOM 907 N ARG A 57 -22.413 -4.185 -5.907 1.00 0.00 N ATOM 908 CA ARG A 57 -22.167 -5.616 -5.636 1.00 0.00 C ATOM 909 C ARG A 57 -20.816 -6.107 -6.210 1.00 0.00 C ATOM 910 O ARG A 57 -20.145 -6.960 -5.608 1.00 0.00 O ATOM 911 CB ARG A 57 -23.324 -6.456 -6.242 1.00 0.00 C ATOM 912 CG ARG A 57 -23.453 -6.352 -7.787 1.00 0.00 C ATOM 913 CD ARG A 57 -24.581 -7.217 -8.365 1.00 0.00 C ATOM 914 NE ARG A 57 -24.552 -7.242 -9.838 1.00 0.00 N ATOM 915 CZ ARG A 57 -25.509 -7.750 -10.630 1.00 0.00 C ATOM 916 NH1 ARG A 57 -26.657 -8.183 -10.121 1.00 0.00 N ATOM 917 NH2 ARG A 57 -25.313 -7.806 -11.938 1.00 0.00 N ATOM 0 H ARG A 57 -23.263 -4.021 -6.447 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.123 -5.743 -4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.178 -7.502 -5.972 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.263 -6.138 -5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -23.627 -5.311 -8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -22.508 -6.648 -8.244 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -24.492 -8.234 -7.982 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.543 -6.833 -8.027 1.00 0.00 H new ATOM 0 HE ARG A 57 -23.734 -6.839 -10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -26.821 -8.132 -9.115 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -27.375 -8.567 -10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -24.439 -7.464 -12.338 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -26.036 -8.191 -12.546 1.00 0.00 H new ATOM 931 N THR A 58 -20.439 -5.547 -7.371 1.00 0.00 N ATOM 932 CA THR A 58 -19.297 -6.011 -8.165 1.00 0.00 C ATOM 933 C THR A 58 -17.969 -5.533 -7.543 1.00 0.00 C ATOM 934 O THR A 58 -17.923 -4.477 -6.911 1.00 0.00 O ATOM 935 CB THR A 58 -19.444 -5.508 -9.638 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.766 -5.804 -10.118 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.421 -6.149 -10.590 1.00 0.00 C ATOM 0 H THR A 58 -20.925 -4.752 -7.786 1.00 0.00 H new ATOM 0 HA THR A 58 -19.283 -7.101 -8.168 1.00 0.00 H new ATOM 0 HB THR A 58 -19.262 -4.433 -9.625 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.809 -5.635 -11.082 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.570 -5.763 -11.598 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.412 -5.909 -10.255 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.554 -7.231 -10.593 1.00 0.00 H new ATOM 945 N THR A 59 -16.907 -6.337 -7.698 1.00 0.00 N ATOM 946 CA THR A 59 -15.587 -6.048 -7.126 1.00 0.00 C ATOM 947 C THR A 59 -14.758 -5.116 -8.037 1.00 0.00 C ATOM 948 O THR A 59 -15.048 -4.963 -9.234 1.00 0.00 O ATOM 949 CB THR A 59 -14.823 -7.382 -6.827 1.00 0.00 C ATOM 950 OG1 THR A 59 -14.885 -8.250 -7.963 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.401 -8.115 -5.603 1.00 0.00 C ATOM 0 H THR A 59 -16.941 -7.209 -8.226 1.00 0.00 H new ATOM 0 HA THR A 59 -15.736 -5.517 -6.186 1.00 0.00 H new ATOM 0 HB THR A 59 -13.788 -7.118 -6.610 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.403 -9.080 -7.767 1.00 0.00 H new ATOM 0 HG21 THR A 59 -14.841 -9.035 -5.432 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.323 -7.474 -4.725 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.448 -8.356 -5.784 1.00 0.00 H new ATOM 959 N LEU A 60 -13.724 -4.499 -7.428 1.00 0.00 N ATOM 960 CA LEU A 60 -12.846 -3.490 -8.070 1.00 0.00 C ATOM 961 C LEU A 60 -12.049 -4.094 -9.229 1.00 0.00 C ATOM 962 O LEU A 60 -11.920 -3.487 -10.297 1.00 0.00 O ATOM 963 CB LEU A 60 -11.871 -2.887 -7.007 1.00 0.00 C ATOM 964 CG LEU A 60 -12.409 -1.705 -6.140 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.762 -2.021 -5.497 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.374 -1.286 -5.074 1.00 0.00 C ATOM 0 H LEU A 60 -13.469 -4.689 -6.459 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.479 -2.701 -8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.566 -3.689 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.974 -2.546 -7.525 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.569 -0.864 -6.815 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.092 -1.167 -4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.496 -2.228 -6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.663 -2.894 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.773 -0.461 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.163 -2.132 -4.420 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.454 -0.969 -5.565 1.00 0.00 H new ATOM 978 N GLU A 61 -11.507 -5.286 -8.962 1.00 0.00 N ATOM 979 CA GLU A 61 -10.738 -6.098 -9.929 1.00 0.00 C ATOM 980 C GLU A 61 -11.462 -6.272 -11.290 1.00 0.00 C ATOM 981 O GLU A 61 -10.807 -6.349 -12.341 1.00 0.00 O ATOM 982 CB GLU A 61 -10.457 -7.476 -9.286 1.00 0.00 C ATOM 983 CG GLU A 61 -11.732 -8.194 -8.798 1.00 0.00 C ATOM 984 CD GLU A 61 -11.462 -9.479 -8.011 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.402 -10.565 -8.630 1.00 0.00 O ATOM 986 OE2 GLU A 61 -11.311 -9.413 -6.769 1.00 0.00 O ATOM 0 H GLU A 61 -11.589 -5.730 -8.047 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.809 -5.574 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.947 -8.110 -10.011 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.778 -7.344 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.304 -7.510 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.355 -8.433 -9.660 1.00 0.00 H new ATOM 993 N GLU A 62 -12.810 -6.320 -11.257 1.00 0.00 N ATOM 994 CA GLU A 62 -13.641 -6.491 -12.463 1.00 0.00 C ATOM 995 C GLU A 62 -13.613 -5.224 -13.338 1.00 0.00 C ATOM 996 O GLU A 62 -13.561 -5.316 -14.567 1.00 0.00 O ATOM 997 CB GLU A 62 -15.100 -6.851 -12.076 1.00 0.00 C ATOM 998 CG GLU A 62 -15.245 -8.126 -11.216 1.00 0.00 C ATOM 999 CD GLU A 62 -14.606 -9.371 -11.856 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -13.515 -9.806 -11.412 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -15.188 -9.922 -12.822 1.00 0.00 O ATOM 0 H GLU A 62 -13.350 -6.241 -10.395 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.224 -7.314 -13.044 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.535 -6.012 -11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.683 -6.977 -12.988 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.788 -7.952 -10.242 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.303 -8.319 -11.041 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.631 -4.045 -12.692 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.590 -2.743 -13.399 1.00 0.00 C ATOM 1010 C TYR A 63 -12.145 -2.234 -13.555 1.00 0.00 C ATOM 1011 O TYR A 63 -11.938 -1.134 -14.085 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.452 -1.705 -12.644 1.00 0.00 C ATOM 1013 CG TYR A 63 -15.929 -2.103 -12.507 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.522 -2.267 -11.256 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.727 -2.314 -13.632 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -17.850 -2.595 -11.136 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.060 -2.649 -13.505 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.612 -2.792 -12.258 1.00 0.00 C ATOM 1019 OH TYR A 63 -19.941 -3.107 -12.130 1.00 0.00 O ATOM 0 H TYR A 63 -13.674 -3.962 -11.676 1.00 0.00 H new ATOM 0 HA TYR A 63 -13.999 -2.886 -14.399 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.033 -1.554 -11.649 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.390 -0.749 -13.164 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -15.926 -2.134 -10.365 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.295 -2.214 -14.617 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.294 -2.698 -10.157 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.667 -2.798 -14.386 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.339 -3.213 -13.019 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.161 -3.047 -13.092 1.00 0.00 N ATOM 1030 CA ASN A 64 -9.715 -2.733 -13.140 1.00 0.00 C ATOM 1031 C ASN A 64 -9.426 -1.399 -12.425 1.00 0.00 C ATOM 1032 O ASN A 64 -8.708 -0.525 -12.940 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.168 -2.749 -14.601 1.00 0.00 C ATOM 1034 CG ASN A 64 -9.397 -4.090 -15.306 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -10.397 -4.284 -15.997 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -8.502 -5.038 -15.096 1.00 0.00 N ATOM 0 H ASN A 64 -11.357 -3.954 -12.668 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.181 -3.517 -12.604 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.650 -1.956 -15.173 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.101 -2.529 -14.587 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.630 -5.961 -15.511 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.683 -4.847 -14.519 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.027 -1.260 -11.229 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.832 -0.095 -10.351 1.00 0.00 C ATOM 1045 C ILE A 65 -8.402 -0.173 -9.773 1.00 0.00 C ATOM 1046 O ILE A 65 -8.157 -0.856 -8.778 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.909 -0.062 -9.195 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.363 -0.152 -9.760 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.749 1.182 -8.291 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.811 1.034 -10.585 1.00 0.00 C ATOM 0 H ILE A 65 -10.664 -1.957 -10.844 1.00 0.00 H new ATOM 0 HA ILE A 65 -9.957 0.825 -10.922 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.732 -0.943 -8.578 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.442 -1.050 -10.372 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.053 -0.274 -8.925 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.509 1.165 -7.510 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.759 1.175 -7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.865 2.085 -8.891 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.833 0.873 -10.929 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.772 1.937 -9.975 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.152 1.148 -11.446 1.00 0.00 H new ATOM 1062 N THR A 66 -7.466 0.474 -10.477 1.00 0.00 N ATOM 1063 CA THR A 66 -6.015 0.380 -10.226 1.00 0.00 C ATOM 1064 C THR A 66 -5.456 1.741 -9.736 1.00 0.00 C ATOM 1065 O THR A 66 -6.128 2.764 -9.905 1.00 0.00 O ATOM 1066 CB THR A 66 -5.303 -0.121 -11.537 1.00 0.00 C ATOM 1067 OG1 THR A 66 -5.817 0.587 -12.682 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.477 -1.639 -11.734 1.00 0.00 C ATOM 0 H THR A 66 -7.697 1.092 -11.255 1.00 0.00 H new ATOM 0 HA THR A 66 -5.818 -0.340 -9.432 1.00 0.00 H new ATOM 0 HB THR A 66 -4.237 0.082 -11.434 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.722 0.270 -12.883 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.972 -1.947 -12.649 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.044 -2.168 -10.885 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.538 -1.877 -11.807 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.219 1.791 -9.109 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.708 3.022 -8.452 1.00 0.00 C ATOM 1078 C PRO A 67 -3.546 4.208 -9.439 1.00 0.00 C ATOM 1079 O PRO A 67 -2.720 4.170 -10.353 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.344 2.577 -7.840 1.00 0.00 C ATOM 1081 CG PRO A 67 -1.935 1.394 -8.663 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.222 0.682 -9.006 1.00 0.00 C ATOM 0 HA PRO A 67 -4.402 3.404 -7.703 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.604 3.375 -7.896 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.448 2.312 -6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.406 1.706 -9.564 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.261 0.742 -8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.138 0.130 -9.942 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.500 -0.037 -8.236 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.391 5.234 -9.260 1.00 0.00 N ATOM 1091 CA GLY A 68 -4.317 6.469 -10.040 1.00 0.00 C ATOM 1092 C GLY A 68 -5.502 6.680 -10.967 1.00 0.00 C ATOM 1093 O GLY A 68 -5.511 7.657 -11.717 1.00 0.00 O ATOM 0 H GLY A 68 -5.142 5.227 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.247 7.316 -9.357 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.402 6.460 -10.632 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.496 5.766 -10.942 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.733 5.931 -11.732 1.00 0.00 C ATOM 1099 C VAL A 69 -8.662 6.958 -11.047 1.00 0.00 C ATOM 1100 O VAL A 69 -8.704 7.046 -9.807 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.495 4.567 -11.963 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.611 3.557 -12.741 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -9.016 3.952 -10.635 1.00 0.00 C ATOM 0 H VAL A 69 -6.466 4.911 -10.386 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.442 6.298 -12.716 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.370 4.791 -12.573 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.162 2.627 -12.885 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.347 3.977 -13.712 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.702 3.356 -12.173 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.533 3.016 -10.846 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.175 3.760 -9.968 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.706 4.648 -10.158 1.00 0.00 H new ATOM 1113 N THR A 70 -9.374 7.752 -11.864 1.00 0.00 N ATOM 1114 CA THR A 70 -10.328 8.756 -11.379 1.00 0.00 C ATOM 1115 C THR A 70 -11.769 8.260 -11.578 1.00 0.00 C ATOM 1116 O THR A 70 -12.249 8.122 -12.712 1.00 0.00 O ATOM 1117 CB THR A 70 -10.151 10.129 -12.096 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.777 10.531 -12.019 1.00 0.00 O ATOM 1119 CG2 THR A 70 -11.036 11.224 -11.456 1.00 0.00 C ATOM 0 H THR A 70 -9.302 7.713 -12.881 1.00 0.00 H new ATOM 0 HA THR A 70 -10.127 8.902 -10.318 1.00 0.00 H new ATOM 0 HB THR A 70 -10.456 10.008 -13.135 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.663 11.393 -12.471 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.886 12.167 -11.982 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.084 10.932 -11.526 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.763 11.346 -10.408 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.402 7.928 -10.466 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.844 7.680 -10.373 1.00 0.00 C ATOM 1129 C LEU A 71 -14.576 9.027 -10.271 1.00 0.00 C ATOM 1130 O LEU A 71 -13.977 10.029 -9.872 1.00 0.00 O ATOM 1131 CB LEU A 71 -14.147 6.792 -9.127 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.873 5.246 -9.253 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.597 4.904 -10.055 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.807 4.602 -7.855 1.00 0.00 C ATOM 0 H LEU A 71 -11.920 7.819 -9.574 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.191 7.152 -11.261 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.558 7.171 -8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -15.196 6.928 -8.864 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.710 4.834 -9.817 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.474 3.822 -10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.686 5.301 -11.066 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.730 5.348 -9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.617 3.533 -7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.002 5.061 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.755 4.755 -7.339 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.857 9.049 -10.648 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.710 10.249 -10.535 1.00 0.00 C ATOM 1148 C GLU A 72 -18.033 9.882 -9.855 1.00 0.00 C ATOM 1149 O GLU A 72 -18.455 8.724 -9.888 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.983 10.879 -11.927 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.728 11.399 -12.663 1.00 0.00 C ATOM 1152 CD GLU A 72 -16.064 12.113 -13.980 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -16.204 11.437 -15.021 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.210 13.354 -13.981 1.00 0.00 O ATOM 0 H GLU A 72 -16.338 8.239 -11.041 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.183 10.987 -9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.474 10.136 -12.556 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.683 11.705 -11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.188 12.085 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.060 10.562 -12.869 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.665 10.879 -9.221 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.980 10.724 -8.586 1.00 0.00 C ATOM 1163 C LEU A 73 -21.046 11.459 -9.394 1.00 0.00 C ATOM 1164 O LEU A 73 -21.026 12.683 -9.502 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.954 11.214 -7.115 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.153 10.301 -6.133 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.228 10.825 -4.680 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.637 8.824 -6.235 1.00 0.00 C ATOM 0 H LEU A 73 -18.277 11.818 -9.134 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.231 9.663 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.525 12.216 -7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.980 11.297 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.104 10.331 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.659 10.165 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.809 11.830 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.268 10.850 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -19.066 8.205 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.696 8.770 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.489 8.462 -7.252 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.937 10.667 -10.006 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.125 11.163 -10.721 1.00 0.00 C ATOM 1182 C LYS A 74 -24.344 10.953 -9.812 1.00 0.00 C ATOM 1183 O LYS A 74 -24.448 9.903 -9.180 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.298 10.386 -12.070 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.446 10.892 -13.274 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.930 11.052 -12.966 1.00 0.00 C ATOM 1187 CE LYS A 74 -20.077 11.270 -14.231 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.506 12.457 -14.998 1.00 0.00 N ATOM 0 H LYS A 74 -21.853 9.651 -10.020 1.00 0.00 H new ATOM 0 HA LYS A 74 -23.018 12.222 -10.957 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -23.054 9.338 -11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.349 10.425 -12.355 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.564 10.196 -14.105 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.841 11.853 -13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.789 11.896 -12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.575 10.163 -12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.031 11.383 -13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.141 10.387 -14.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.872 12.592 -15.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.479 12.318 -15.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.469 13.297 -14.387 1.00 0.00 H new ATOM 1202 N THR A 75 -25.252 11.943 -9.752 1.00 0.00 N ATOM 1203 CA THR A 75 -26.474 11.852 -8.931 1.00 0.00 C ATOM 1204 C THR A 75 -27.364 10.679 -9.418 1.00 0.00 C ATOM 1205 O THR A 75 -27.792 10.659 -10.579 1.00 0.00 O ATOM 1206 CB THR A 75 -27.271 13.201 -8.944 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.562 13.596 -10.298 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.499 14.338 -8.245 1.00 0.00 C ATOM 0 H THR A 75 -25.162 12.820 -10.265 1.00 0.00 H new ATOM 0 HA THR A 75 -26.176 11.657 -7.901 1.00 0.00 H new ATOM 0 HB THR A 75 -28.197 13.028 -8.395 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.652 12.798 -10.859 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.090 15.253 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.311 14.065 -7.207 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.550 14.500 -8.755 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.560 9.679 -8.530 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.329 8.462 -8.819 1.00 0.00 C ATOM 1218 C ARG A 76 -29.798 8.799 -9.152 1.00 0.00 C ATOM 1219 O ARG A 76 -30.612 9.055 -8.256 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.218 7.437 -7.646 1.00 0.00 C ATOM 1221 CG ARG A 76 -29.004 6.127 -7.881 1.00 0.00 C ATOM 1222 CD ARG A 76 -28.742 5.043 -6.823 1.00 0.00 C ATOM 1223 NE ARG A 76 -29.605 3.864 -7.037 1.00 0.00 N ATOM 1224 CZ ARG A 76 -29.345 2.615 -6.621 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -28.211 2.329 -5.989 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -30.227 1.653 -6.854 1.00 0.00 N ATOM 0 H ARG A 76 -27.181 9.701 -7.583 1.00 0.00 H new ATOM 0 HA ARG A 76 -27.898 7.990 -9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.167 7.195 -7.487 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.579 7.907 -6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -30.070 6.353 -7.899 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -28.746 5.732 -8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -27.695 4.741 -6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -28.921 5.452 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 76 -30.476 4.012 -7.546 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -27.525 3.064 -5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -28.027 1.375 -5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -31.095 1.865 -7.346 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -30.038 0.701 -6.541 1.00 0.00 H new