USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 9:sc= 0.239 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 24 TYR OH : rot 0:sc= -2.52! USER MOD Single : A 28 HIS :FLIP no HD1:sc= -4.93 F(o=-6.9!,f=-4.9) USER MOD Single : A 29 GLN : amide:sc= 0.356 K(o=0.36,f=-0.32) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 40 SER OG : rot -62:sc= -0.307 USER MOD Single : A 41 GLN : amide:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 43 SER OG : rot -130:sc= -2.83! USER MOD Single : A 46 SER OG : rot 180:sc= 0.24 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0127 K(o=-0.013,f=-0.61) USER MOD Single : A 49 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.054) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.343 -23.637 2.203 1.00 0.00 N ATOM 2 CA GLY A 1 -6.590 -23.180 3.559 1.00 0.00 C ATOM 3 C GLY A 1 -5.335 -23.176 4.408 1.00 0.00 C ATOM 4 O GLY A 1 -4.996 -24.183 5.030 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.232 -23.621 1.664 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.650 -23.010 1.746 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.970 -24.607 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.008 -22.174 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.338 -23.822 4.025 1.00 0.00 H new ATOM 8 N SER A 2 -4.640 -22.043 4.431 1.00 0.00 N ATOM 9 CA SER A 2 -3.412 -21.915 5.206 1.00 0.00 C ATOM 10 C SER A 2 -3.306 -20.528 5.832 1.00 0.00 C ATOM 11 O SER A 2 -3.696 -19.530 5.225 1.00 0.00 O ATOM 12 CB SER A 2 -2.194 -22.181 4.318 1.00 0.00 C ATOM 13 OG SER A 2 -2.330 -23.407 3.620 1.00 0.00 O ATOM 0 H SER A 2 -4.907 -21.201 3.922 1.00 0.00 H new ATOM 0 HA SER A 2 -3.438 -22.654 6.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.074 -21.365 3.606 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.292 -22.205 4.930 1.00 0.00 H new ATOM 0 HG SER A 2 -1.540 -23.553 3.059 1.00 0.00 H new ATOM 19 N SER A 3 -2.776 -20.474 7.049 1.00 0.00 N ATOM 20 CA SER A 3 -2.622 -19.210 7.760 1.00 0.00 C ATOM 21 C SER A 3 -1.408 -19.251 8.684 1.00 0.00 C ATOM 22 O SER A 3 -1.357 -20.041 9.626 1.00 0.00 O ATOM 23 CB SER A 3 -3.883 -18.898 8.569 1.00 0.00 C ATOM 24 OG SER A 3 -4.928 -18.443 7.729 1.00 0.00 O ATOM 0 H SER A 3 -2.446 -21.290 7.564 1.00 0.00 H new ATOM 0 HA SER A 3 -2.469 -18.423 7.022 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.205 -19.791 9.105 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.659 -18.140 9.319 1.00 0.00 H new ATOM 0 HG SER A 3 -4.671 -18.566 6.791 1.00 0.00 H new ATOM 30 N GLY A 4 -0.432 -18.392 8.406 1.00 0.00 N ATOM 31 CA GLY A 4 0.770 -18.346 9.220 1.00 0.00 C ATOM 32 C GLY A 4 1.960 -18.983 8.531 1.00 0.00 C ATOM 33 O GLY A 4 1.872 -20.104 8.032 1.00 0.00 O ATOM 0 H GLY A 4 -0.452 -17.727 7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.004 -17.309 9.458 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.585 -18.856 10.165 1.00 0.00 H new ATOM 37 N SER A 5 3.079 -18.264 8.504 1.00 0.00 N ATOM 38 CA SER A 5 4.292 -18.764 7.867 1.00 0.00 C ATOM 39 C SER A 5 5.484 -17.868 8.191 1.00 0.00 C ATOM 40 O SER A 5 5.410 -16.646 8.062 1.00 0.00 O ATOM 41 CB SER A 5 4.101 -18.848 6.352 1.00 0.00 C ATOM 42 OG SER A 5 5.038 -19.735 5.768 1.00 0.00 O ATOM 0 H SER A 5 3.170 -17.335 8.915 1.00 0.00 H new ATOM 0 HA SER A 5 4.492 -19.762 8.257 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.089 -19.185 6.128 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.212 -17.857 5.913 1.00 0.00 H new ATOM 0 HG SER A 5 4.894 -19.772 4.799 1.00 0.00 H new ATOM 48 N SER A 6 6.582 -18.485 8.613 1.00 0.00 N ATOM 49 CA SER A 6 7.790 -17.745 8.960 1.00 0.00 C ATOM 50 C SER A 6 9.012 -18.346 8.274 1.00 0.00 C ATOM 51 O SER A 6 8.950 -19.443 7.719 1.00 0.00 O ATOM 52 CB SER A 6 7.993 -17.739 10.476 1.00 0.00 C ATOM 53 OG SER A 6 8.191 -19.053 10.969 1.00 0.00 O ATOM 0 H SER A 6 6.661 -19.496 8.723 1.00 0.00 H new ATOM 0 HA SER A 6 7.669 -16.719 8.613 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.853 -17.119 10.728 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.125 -17.292 10.961 1.00 0.00 H new ATOM 0 HG SER A 6 8.320 -19.022 11.940 1.00 0.00 H new ATOM 59 N GLY A 7 10.126 -17.620 8.317 1.00 0.00 N ATOM 60 CA GLY A 7 11.347 -18.099 7.697 1.00 0.00 C ATOM 61 C GLY A 7 11.786 -17.228 6.535 1.00 0.00 C ATOM 62 O GLY A 7 12.474 -16.223 6.711 1.00 0.00 O ATOM 0 H GLY A 7 10.204 -16.709 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.141 -18.132 8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.197 -19.120 7.346 1.00 0.00 H new ATOM 66 N PRO A 8 11.386 -17.618 5.315 1.00 0.00 N ATOM 67 CA PRO A 8 11.732 -16.881 4.097 1.00 0.00 C ATOM 68 C PRO A 8 11.017 -15.536 4.010 1.00 0.00 C ATOM 69 O PRO A 8 9.982 -15.330 4.644 1.00 0.00 O ATOM 70 CB PRO A 8 11.262 -17.810 2.975 1.00 0.00 C ATOM 71 CG PRO A 8 10.180 -18.629 3.590 1.00 0.00 C ATOM 72 CD PRO A 8 10.565 -18.807 5.033 1.00 0.00 C ATOM 0 HA PRO A 8 12.794 -16.641 4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.892 -17.243 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.077 -18.437 2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.215 -18.130 3.502 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.087 -19.593 3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.689 -18.853 5.680 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.126 -19.729 5.189 1.00 0.00 H new ATOM 80 N LEU A 9 11.575 -14.626 3.220 1.00 0.00 N ATOM 81 CA LEU A 9 10.990 -13.300 3.050 1.00 0.00 C ATOM 82 C LEU A 9 9.674 -13.380 2.283 1.00 0.00 C ATOM 83 O LEU A 9 9.470 -14.254 1.441 1.00 0.00 O ATOM 84 CB LEU A 9 11.967 -12.381 2.314 1.00 0.00 C ATOM 85 CG LEU A 9 13.338 -12.198 2.966 1.00 0.00 C ATOM 86 CD1 LEU A 9 14.367 -11.766 1.933 1.00 0.00 C ATOM 87 CD2 LEU A 9 13.259 -11.185 4.100 1.00 0.00 C ATOM 0 H LEU A 9 12.431 -14.781 2.687 1.00 0.00 H new ATOM 0 HA LEU A 9 10.789 -12.889 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.115 -12.773 1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.503 -11.400 2.209 1.00 0.00 H new ATOM 0 HG LEU A 9 13.652 -13.155 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.336 -11.641 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.444 -12.527 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.059 -10.821 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.244 -11.068 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 9 12.923 -10.225 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 9 12.553 -11.536 4.853 1.00 0.00 H new ATOM 99 N PRO A 10 8.759 -12.445 2.579 1.00 0.00 N ATOM 100 CA PRO A 10 7.448 -12.386 1.926 1.00 0.00 C ATOM 101 C PRO A 10 7.546 -11.968 0.463 1.00 0.00 C ATOM 102 O PRO A 10 8.300 -11.058 0.117 1.00 0.00 O ATOM 103 CB PRO A 10 6.695 -11.328 2.736 1.00 0.00 C ATOM 104 CG PRO A 10 7.763 -10.466 3.316 1.00 0.00 C ATOM 105 CD PRO A 10 8.935 -11.372 3.572 1.00 0.00 C ATOM 0 HA PRO A 10 6.957 -13.359 1.910 1.00 0.00 H new ATOM 0 HB2 PRO A 10 6.020 -10.751 2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.087 -11.785 3.517 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.033 -9.664 2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.425 -9.995 4.239 1.00 0.00 H new ATOM 0 HD2 PRO A 10 9.883 -10.851 3.437 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.927 -11.761 4.590 1.00 0.00 H new ATOM 113 N ILE A 11 6.780 -12.638 -0.392 1.00 0.00 N ATOM 114 CA ILE A 11 6.781 -12.333 -1.817 1.00 0.00 C ATOM 115 C ILE A 11 6.081 -11.007 -2.096 1.00 0.00 C ATOM 116 O ILE A 11 5.107 -10.640 -1.438 1.00 0.00 O ATOM 117 CB ILE A 11 6.092 -13.445 -2.630 1.00 0.00 C ATOM 118 CG1 ILE A 11 4.573 -13.363 -2.464 1.00 0.00 C ATOM 119 CG2 ILE A 11 6.604 -14.812 -2.200 1.00 0.00 C ATOM 120 CD1 ILE A 11 4.120 -13.393 -1.021 1.00 0.00 C ATOM 0 H ILE A 11 6.151 -13.395 -0.123 1.00 0.00 H new ATOM 0 HA ILE A 11 7.824 -12.262 -2.124 1.00 0.00 H new ATOM 0 HB ILE A 11 6.332 -13.304 -3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.214 -12.445 -2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.112 -14.194 -2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.107 -15.587 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.680 -14.866 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.392 -14.963 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.033 -13.331 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.449 -14.322 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.552 -12.547 -0.486 1.00 0.00 H new ATOM 132 N PRO A 12 6.587 -10.270 -3.096 1.00 0.00 N ATOM 133 CA PRO A 12 6.025 -8.974 -3.487 1.00 0.00 C ATOM 134 C PRO A 12 4.658 -9.111 -4.149 1.00 0.00 C ATOM 135 O PRO A 12 4.531 -9.607 -5.269 1.00 0.00 O ATOM 136 CB PRO A 12 7.050 -8.430 -4.485 1.00 0.00 C ATOM 137 CG PRO A 12 7.719 -9.640 -5.040 1.00 0.00 C ATOM 138 CD PRO A 12 7.747 -10.647 -3.922 1.00 0.00 C ATOM 0 HA PRO A 12 5.860 -8.325 -2.627 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.567 -7.849 -5.271 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.767 -7.771 -3.996 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.174 -10.027 -5.901 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.728 -9.407 -5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.659 -11.667 -4.297 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.677 -10.594 -3.357 1.00 0.00 H new ATOM 146 N PRO A 13 3.611 -8.660 -3.444 1.00 0.00 N ATOM 147 CA PRO A 13 2.235 -8.721 -3.944 1.00 0.00 C ATOM 148 C PRO A 13 1.995 -7.757 -5.100 1.00 0.00 C ATOM 149 O PRO A 13 2.602 -6.689 -5.186 1.00 0.00 O ATOM 150 CB PRO A 13 1.396 -8.317 -2.728 1.00 0.00 C ATOM 151 CG PRO A 13 2.313 -7.487 -1.896 1.00 0.00 C ATOM 152 CD PRO A 13 3.689 -8.057 -2.102 1.00 0.00 C ATOM 0 HA PRO A 13 1.989 -9.706 -4.340 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.512 -7.753 -3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.046 -9.192 -2.180 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.275 -6.441 -2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.028 -7.525 -0.845 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.456 -7.284 -2.053 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.935 -8.799 -1.342 1.00 0.00 H new ATOM 160 N PRO A 14 1.088 -8.138 -6.012 1.00 0.00 N ATOM 161 CA PRO A 14 0.747 -7.320 -7.180 1.00 0.00 C ATOM 162 C PRO A 14 -0.021 -6.060 -6.800 1.00 0.00 C ATOM 163 O PRO A 14 -0.510 -5.915 -5.679 1.00 0.00 O ATOM 164 CB PRO A 14 -0.131 -8.250 -8.020 1.00 0.00 C ATOM 165 CG PRO A 14 -0.717 -9.206 -7.038 1.00 0.00 C ATOM 166 CD PRO A 14 0.327 -9.398 -5.973 1.00 0.00 C ATOM 0 HA PRO A 14 1.635 -6.964 -7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.909 -7.694 -8.544 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.455 -8.770 -8.778 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.640 -8.812 -6.613 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.965 -10.153 -7.516 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.123 -9.566 -4.994 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.963 -10.258 -6.183 1.00 0.00 H new ATOM 174 N PRO A 15 -0.134 -5.123 -7.754 1.00 0.00 N ATOM 175 CA PRO A 15 -0.843 -3.859 -7.543 1.00 0.00 C ATOM 176 C PRO A 15 -2.351 -4.053 -7.419 1.00 0.00 C ATOM 177 O PRO A 15 -3.039 -4.384 -8.386 1.00 0.00 O ATOM 178 CB PRO A 15 -0.510 -3.050 -8.799 1.00 0.00 C ATOM 179 CG PRO A 15 -0.209 -4.073 -9.839 1.00 0.00 C ATOM 180 CD PRO A 15 0.424 -5.228 -9.113 1.00 0.00 C ATOM 0 HA PRO A 15 -0.542 -3.374 -6.615 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.347 -2.418 -9.096 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.343 -2.392 -8.632 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.118 -4.386 -10.353 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.464 -3.672 -10.597 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.173 -6.181 -9.578 1.00 0.00 H new ATOM 0 HD3 PRO A 15 1.511 -5.152 -9.108 1.00 0.00 H new ATOM 188 N PRO A 16 -2.878 -3.843 -6.205 1.00 0.00 N ATOM 189 CA PRO A 16 -4.310 -3.989 -5.926 1.00 0.00 C ATOM 190 C PRO A 16 -5.143 -2.894 -6.585 1.00 0.00 C ATOM 191 O PRO A 16 -4.612 -1.864 -7.002 1.00 0.00 O ATOM 192 CB PRO A 16 -4.388 -3.877 -4.402 1.00 0.00 C ATOM 193 CG PRO A 16 -3.188 -3.083 -4.018 1.00 0.00 C ATOM 194 CD PRO A 16 -2.117 -3.447 -5.007 1.00 0.00 C ATOM 0 HA PRO A 16 -4.709 -4.924 -6.319 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.307 -3.382 -4.088 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.379 -4.860 -3.932 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.401 -2.014 -4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.875 -3.316 -3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.456 -2.605 -5.211 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.492 -4.261 -4.641 1.00 0.00 H new ATOM 202 N ASP A 17 -6.448 -3.122 -6.673 1.00 0.00 N ATOM 203 CA ASP A 17 -7.354 -2.154 -7.279 1.00 0.00 C ATOM 204 C ASP A 17 -8.129 -1.391 -6.208 1.00 0.00 C ATOM 205 O ASP A 17 -8.933 -1.971 -5.478 1.00 0.00 O ATOM 206 CB ASP A 17 -8.327 -2.857 -8.226 1.00 0.00 C ATOM 207 CG ASP A 17 -8.941 -1.907 -9.236 1.00 0.00 C ATOM 208 OD1 ASP A 17 -8.612 -0.703 -9.193 1.00 0.00 O ATOM 209 OD2 ASP A 17 -9.749 -2.368 -10.069 1.00 0.00 O ATOM 0 H ASP A 17 -6.903 -3.969 -6.332 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.757 -1.441 -7.848 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.804 -3.655 -8.753 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.120 -3.326 -7.644 1.00 0.00 H new ATOM 214 N ILE A 18 -7.881 -0.088 -6.121 1.00 0.00 N ATOM 215 CA ILE A 18 -8.555 0.753 -5.141 1.00 0.00 C ATOM 216 C ILE A 18 -9.811 1.386 -5.731 1.00 0.00 C ATOM 217 O ILE A 18 -10.605 1.994 -5.014 1.00 0.00 O ATOM 218 CB ILE A 18 -7.627 1.867 -4.621 1.00 0.00 C ATOM 219 CG1 ILE A 18 -6.193 1.348 -4.495 1.00 0.00 C ATOM 220 CG2 ILE A 18 -8.126 2.392 -3.283 1.00 0.00 C ATOM 221 CD1 ILE A 18 -6.059 0.167 -3.560 1.00 0.00 C ATOM 0 H ILE A 18 -7.218 0.407 -6.718 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.834 0.106 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.635 2.689 -5.336 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.830 1.063 -5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.552 2.156 -4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.459 3.178 -2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.132 2.795 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.145 1.579 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.016 -0.148 -3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.391 0.453 -2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.673 -0.657 -3.924 1.00 0.00 H new ATOM 233 N GLN A 19 -9.982 1.239 -7.040 1.00 0.00 N ATOM 234 CA GLN A 19 -11.142 1.796 -7.726 1.00 0.00 C ATOM 235 C GLN A 19 -12.439 1.304 -7.091 1.00 0.00 C ATOM 236 O GLN A 19 -13.367 2.073 -6.841 1.00 0.00 O ATOM 237 CB GLN A 19 -11.113 1.422 -9.209 1.00 0.00 C ATOM 238 CG GLN A 19 -10.437 2.463 -10.086 1.00 0.00 C ATOM 239 CD GLN A 19 -10.808 2.325 -11.549 1.00 0.00 C ATOM 240 OE1 GLN A 19 -11.985 2.360 -11.908 1.00 0.00 O ATOM 241 NE2 GLN A 19 -9.803 2.166 -12.402 1.00 0.00 N ATOM 0 H GLN A 19 -9.332 0.739 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.101 2.881 -7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.595 0.470 -9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.135 1.274 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.712 3.459 -9.738 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.356 2.375 -9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.842 2.143 -12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.992 2.067 -13.400 1.00 0.00 H new ATOM 250 N PRO A 20 -12.505 -0.009 -6.822 1.00 0.00 N ATOM 251 CA PRO A 20 -13.682 -0.633 -6.212 1.00 0.00 C ATOM 252 C PRO A 20 -14.179 0.134 -4.991 1.00 0.00 C ATOM 253 O PRO A 20 -15.383 0.328 -4.814 1.00 0.00 O ATOM 254 CB PRO A 20 -13.178 -2.019 -5.803 1.00 0.00 C ATOM 255 CG PRO A 20 -12.051 -2.303 -6.737 1.00 0.00 C ATOM 256 CD PRO A 20 -11.435 -0.984 -7.092 1.00 0.00 C ATOM 0 HA PRO A 20 -14.530 -0.657 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.844 -2.029 -4.765 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.964 -2.768 -5.892 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.317 -2.958 -6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.410 -2.814 -7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.549 -0.782 -6.490 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.124 -0.957 -8.136 1.00 0.00 H new ATOM 264 N LEU A 21 -13.245 0.570 -4.152 1.00 0.00 N ATOM 265 CA LEU A 21 -13.588 1.318 -2.948 1.00 0.00 C ATOM 266 C LEU A 21 -13.799 2.795 -3.266 1.00 0.00 C ATOM 267 O LEU A 21 -14.655 3.450 -2.673 1.00 0.00 O ATOM 268 CB LEU A 21 -12.488 1.162 -1.897 1.00 0.00 C ATOM 269 CG LEU A 21 -11.918 -0.246 -1.725 1.00 0.00 C ATOM 270 CD1 LEU A 21 -10.499 -0.186 -1.181 1.00 0.00 C ATOM 271 CD2 LEU A 21 -12.808 -1.074 -0.810 1.00 0.00 C ATOM 0 H LEU A 21 -12.245 0.418 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.520 0.915 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.670 1.835 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -12.882 1.493 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.889 -0.727 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -10.111 -1.198 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.867 0.368 -1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.501 0.314 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.387 -2.073 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.870 -0.596 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.806 -1.147 -1.242 1.00 0.00 H new ATOM 283 N GLU A 22 -13.014 3.312 -4.205 1.00 0.00 N ATOM 284 CA GLU A 22 -13.116 4.711 -4.601 1.00 0.00 C ATOM 285 C GLU A 22 -14.528 5.041 -5.075 1.00 0.00 C ATOM 286 O GLU A 22 -15.121 6.033 -4.650 1.00 0.00 O ATOM 287 CB GLU A 22 -12.108 5.025 -5.709 1.00 0.00 C ATOM 288 CG GLU A 22 -10.676 5.134 -5.216 1.00 0.00 C ATOM 289 CD GLU A 22 -9.838 6.074 -6.061 1.00 0.00 C ATOM 290 OE1 GLU A 22 -9.308 5.628 -7.099 1.00 0.00 O ATOM 291 OE2 GLU A 22 -9.712 7.258 -5.681 1.00 0.00 O ATOM 0 H GLU A 22 -12.300 2.783 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.891 5.326 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.163 4.246 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.390 5.962 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.677 5.483 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.219 4.145 -5.218 1.00 0.00 H new ATOM 298 N ARG A 23 -15.061 4.201 -5.957 1.00 0.00 N ATOM 299 CA ARG A 23 -16.403 4.403 -6.491 1.00 0.00 C ATOM 300 C ARG A 23 -17.457 4.177 -5.411 1.00 0.00 C ATOM 301 O ARG A 23 -18.285 5.048 -5.144 1.00 0.00 O ATOM 302 CB ARG A 23 -16.654 3.462 -7.670 1.00 0.00 C ATOM 303 CG ARG A 23 -16.157 4.004 -9.000 1.00 0.00 C ATOM 304 CD ARG A 23 -17.182 4.926 -9.642 1.00 0.00 C ATOM 305 NE ARG A 23 -16.799 5.309 -10.999 1.00 0.00 N ATOM 306 CZ ARG A 23 -15.888 6.236 -11.273 1.00 0.00 C ATOM 307 NH1 ARG A 23 -15.270 6.873 -10.288 1.00 0.00 N ATOM 308 NH2 ARG A 23 -15.595 6.527 -12.533 1.00 0.00 N ATOM 0 H ARG A 23 -14.584 3.374 -6.317 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.478 5.434 -6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -16.167 2.507 -7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.723 3.265 -7.745 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.223 4.546 -8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.939 3.175 -9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -18.152 4.429 -9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.297 5.821 -9.031 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.257 4.838 -11.780 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.494 6.651 -9.318 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.571 7.585 -10.500 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.069 6.039 -13.293 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.895 7.239 -12.743 1.00 0.00 H new ATOM 322 N TYR A 24 -17.420 3.001 -4.795 1.00 0.00 N ATOM 323 CA TYR A 24 -18.374 2.657 -3.745 1.00 0.00 C ATOM 324 C TYR A 24 -18.494 3.788 -2.728 1.00 0.00 C ATOM 325 O TYR A 24 -19.565 4.023 -2.169 1.00 0.00 O ATOM 326 CB TYR A 24 -17.949 1.367 -3.043 1.00 0.00 C ATOM 327 CG TYR A 24 -19.007 0.801 -2.122 1.00 0.00 C ATOM 328 CD1 TYR A 24 -20.089 0.092 -2.628 1.00 0.00 C ATOM 329 CD2 TYR A 24 -18.924 0.977 -0.747 1.00 0.00 C ATOM 330 CE1 TYR A 24 -21.058 -0.425 -1.791 1.00 0.00 C ATOM 331 CE2 TYR A 24 -19.888 0.463 0.098 1.00 0.00 C ATOM 332 CZ TYR A 24 -20.954 -0.237 -0.428 1.00 0.00 C ATOM 333 OH TYR A 24 -21.916 -0.752 0.410 1.00 0.00 O ATOM 0 H TYR A 24 -16.740 2.269 -5.004 1.00 0.00 H new ATOM 0 HA TYR A 24 -19.348 2.505 -4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -17.697 0.620 -3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -17.043 1.558 -2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.174 -0.057 -3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -18.091 1.525 -0.331 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.893 -0.974 -2.201 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -19.808 0.608 1.165 1.00 0.00 H new ATOM 0 HH TYR A 24 -22.596 -1.219 -0.120 1.00 0.00 H new ATOM 343 N TRP A 25 -17.387 4.484 -2.493 1.00 0.00 N ATOM 344 CA TRP A 25 -17.368 5.589 -1.542 1.00 0.00 C ATOM 345 C TRP A 25 -18.005 6.836 -2.145 1.00 0.00 C ATOM 346 O TRP A 25 -18.874 7.457 -1.534 1.00 0.00 O ATOM 347 CB TRP A 25 -15.931 5.894 -1.112 1.00 0.00 C ATOM 348 CG TRP A 25 -15.836 6.989 -0.094 1.00 0.00 C ATOM 349 CD1 TRP A 25 -15.387 8.262 -0.299 1.00 0.00 C ATOM 350 CD2 TRP A 25 -16.194 6.907 1.290 1.00 0.00 C ATOM 351 NE1 TRP A 25 -15.447 8.977 0.872 1.00 0.00 N ATOM 352 CE2 TRP A 25 -15.939 8.168 1.862 1.00 0.00 C ATOM 353 CE3 TRP A 25 -16.709 5.891 2.101 1.00 0.00 C ATOM 354 CZ2 TRP A 25 -16.180 8.438 3.207 1.00 0.00 C ATOM 355 CZ3 TRP A 25 -16.947 6.160 3.435 1.00 0.00 C ATOM 356 CH2 TRP A 25 -16.683 7.425 3.977 1.00 0.00 C ATOM 0 H TRP A 25 -16.492 4.303 -2.948 1.00 0.00 H new ATOM 0 HA TRP A 25 -17.947 5.293 -0.667 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -15.481 4.989 -0.704 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -15.348 6.172 -1.990 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -15.036 8.650 -1.244 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -15.170 9.952 0.986 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -16.917 4.913 1.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -15.977 9.412 3.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -17.343 5.382 4.071 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -16.881 7.604 5.024 1.00 0.00 H new ATOM 367 N ALA A 26 -17.567 7.197 -3.347 1.00 0.00 N ATOM 368 CA ALA A 26 -18.097 8.369 -4.033 1.00 0.00 C ATOM 369 C ALA A 26 -19.566 8.174 -4.397 1.00 0.00 C ATOM 370 O ALA A 26 -20.284 9.139 -4.658 1.00 0.00 O ATOM 371 CB ALA A 26 -17.278 8.668 -5.279 1.00 0.00 C ATOM 0 H ALA A 26 -16.847 6.695 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.027 9.219 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.686 9.546 -5.781 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.243 8.860 -4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -17.318 7.813 -5.954 1.00 0.00 H new ATOM 377 N ALA A 27 -20.005 6.920 -4.413 1.00 0.00 N ATOM 378 CA ALA A 27 -21.387 6.599 -4.745 1.00 0.00 C ATOM 379 C ALA A 27 -22.217 6.378 -3.484 1.00 0.00 C ATOM 380 O ALA A 27 -23.254 7.014 -3.291 1.00 0.00 O ATOM 381 CB ALA A 27 -21.445 5.370 -5.639 1.00 0.00 C ATOM 0 H ALA A 27 -19.423 6.110 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 27 -21.811 7.446 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -22.484 5.143 -5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -20.894 5.563 -6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -20.998 4.522 -5.121 1.00 0.00 H new ATOM 387 N HIS A 28 -21.755 5.471 -2.629 1.00 0.00 N ATOM 388 CA HIS A 28 -22.454 5.165 -1.387 1.00 0.00 C ATOM 389 C HIS A 28 -22.029 6.120 -0.275 1.00 0.00 C ATOM 390 O HIS A 28 -22.869 6.672 0.436 1.00 0.00 O ATOM 391 CB HIS A 28 -22.183 3.721 -0.966 1.00 0.00 C ATOM 392 CG HIS A 28 -22.432 2.723 -2.056 1.00 0.00 C ATOM 393 ND1 HIS A 28 -21.907 2.620 -3.298 1.00 0.00 N flip ATOM 394 CD2 HIS A 28 -23.318 1.674 -1.926 1.00 0.00 C flip ATOM 395 CE1 HIS A 28 -22.478 1.522 -3.892 1.00 0.00 C flip ATOM 396 NE2 HIS A 28 -23.326 0.968 -3.043 1.00 0.00 N flip ATOM 0 H HIS A 28 -20.899 4.935 -2.774 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.523 5.290 -1.561 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.148 3.636 -0.636 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -22.812 3.477 -0.110 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -23.912 1.463 -1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -22.268 1.168 -4.891 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -23.890 0.137 -3.220 1.00 0.00 H new ATOM 405 N GLN A 29 -20.721 6.307 -0.130 1.00 0.00 N ATOM 406 CA GLN A 29 -20.186 7.193 0.897 1.00 0.00 C ATOM 407 C GLN A 29 -20.355 6.583 2.284 1.00 0.00 C ATOM 408 O GLN A 29 -20.647 7.288 3.250 1.00 0.00 O ATOM 409 CB GLN A 29 -20.880 8.555 0.837 1.00 0.00 C ATOM 410 CG GLN A 29 -20.001 9.706 1.300 1.00 0.00 C ATOM 411 CD GLN A 29 -19.202 10.321 0.167 1.00 0.00 C ATOM 412 OE1 GLN A 29 -19.753 10.998 -0.701 1.00 0.00 O ATOM 413 NE2 GLN A 29 -17.894 10.088 0.170 1.00 0.00 N ATOM 0 H GLN A 29 -20.013 5.857 -0.710 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.121 7.327 0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.203 8.744 -0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -21.778 8.524 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.625 10.473 1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -19.317 9.349 2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.479 9.521 0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.305 10.476 -0.567 1.00 0.00 H new ATOM 422 N GLN A 30 -20.169 5.270 2.375 1.00 0.00 N ATOM 423 CA GLN A 30 -20.303 4.566 3.645 1.00 0.00 C ATOM 424 C GLN A 30 -19.852 3.115 3.512 1.00 0.00 C ATOM 425 O GLN A 30 -19.843 2.553 2.416 1.00 0.00 O ATOM 426 CB GLN A 30 -21.752 4.620 4.132 1.00 0.00 C ATOM 427 CG GLN A 30 -22.747 4.023 3.149 1.00 0.00 C ATOM 428 CD GLN A 30 -24.159 3.983 3.701 1.00 0.00 C ATOM 429 OE1 GLN A 30 -24.446 4.568 4.745 1.00 0.00 O ATOM 430 NE2 GLN A 30 -25.049 3.292 2.999 1.00 0.00 N ATOM 0 H GLN A 30 -19.925 4.673 1.585 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.664 5.061 4.376 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -21.828 4.089 5.081 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -22.023 5.658 4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -22.737 4.606 2.228 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -22.434 3.012 2.889 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -24.767 2.823 2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -26.015 3.231 3.320 1.00 0.00 H new ATOM 439 N LEU A 31 -19.478 2.513 4.636 1.00 0.00 N ATOM 440 CA LEU A 31 -19.025 1.126 4.646 1.00 0.00 C ATOM 441 C LEU A 31 -20.004 0.239 5.407 1.00 0.00 C ATOM 442 O LEU A 31 -20.705 0.701 6.307 1.00 0.00 O ATOM 443 CB LEU A 31 -17.634 1.027 5.275 1.00 0.00 C ATOM 444 CG LEU A 31 -17.119 -0.386 5.546 1.00 0.00 C ATOM 445 CD1 LEU A 31 -16.677 -1.051 4.252 1.00 0.00 C ATOM 446 CD2 LEU A 31 -15.974 -0.354 6.549 1.00 0.00 C ATOM 0 H LEU A 31 -19.479 2.963 5.551 1.00 0.00 H new ATOM 0 HA LEU A 31 -18.975 0.779 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -16.924 1.531 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -17.643 1.576 6.217 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.933 -0.972 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.313 -2.056 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -17.522 -1.109 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -15.878 -0.465 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -15.620 -1.369 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -15.158 0.249 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -16.323 0.081 7.486 1.00 0.00 H new ATOM 458 N ARG A 32 -20.046 -1.038 5.042 1.00 0.00 N ATOM 459 CA ARG A 32 -20.938 -1.990 5.691 1.00 0.00 C ATOM 460 C ARG A 32 -20.260 -3.349 5.852 1.00 0.00 C ATOM 461 O ARG A 32 -19.571 -3.819 4.947 1.00 0.00 O ATOM 462 CB ARG A 32 -22.229 -2.145 4.885 1.00 0.00 C ATOM 463 CG ARG A 32 -22.973 -0.837 4.672 1.00 0.00 C ATOM 464 CD ARG A 32 -24.297 -1.059 3.959 1.00 0.00 C ATOM 465 NE ARG A 32 -25.292 -1.676 4.832 1.00 0.00 N ATOM 466 CZ ARG A 32 -26.534 -1.955 4.450 1.00 0.00 C ATOM 467 NH1 ARG A 32 -26.930 -1.676 3.216 1.00 0.00 N ATOM 468 NH2 ARG A 32 -27.381 -2.517 5.303 1.00 0.00 N ATOM 0 H ARG A 32 -19.472 -1.437 4.299 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.180 -1.604 6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -21.992 -2.581 3.914 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.886 -2.848 5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -23.153 -0.359 5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.354 -0.156 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -24.677 -0.105 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.137 -1.693 3.087 1.00 0.00 H new ATOM 0 HE ARG A 32 -25.019 -1.905 5.788 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -26.281 -1.246 2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -27.884 -1.891 2.926 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -27.079 -2.735 6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -28.334 -2.731 5.009 1.00 0.00 H new ATOM 482 N GLU A 33 -20.462 -3.972 7.008 1.00 0.00 N ATOM 483 CA GLU A 33 -19.869 -5.275 7.286 1.00 0.00 C ATOM 484 C GLU A 33 -20.143 -6.252 6.146 1.00 0.00 C ATOM 485 O GLU A 33 -19.397 -7.210 5.941 1.00 0.00 O ATOM 486 CB GLU A 33 -20.417 -5.840 8.599 1.00 0.00 C ATOM 487 CG GLU A 33 -19.530 -6.908 9.218 1.00 0.00 C ATOM 488 CD GLU A 33 -20.012 -7.341 10.589 1.00 0.00 C ATOM 489 OE1 GLU A 33 -20.117 -6.475 11.483 1.00 0.00 O ATOM 490 OE2 GLU A 33 -20.283 -8.547 10.769 1.00 0.00 O ATOM 0 H GLU A 33 -21.031 -3.596 7.767 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.791 -5.143 7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -20.542 -5.025 9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -21.406 -6.260 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -19.496 -7.775 8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.511 -6.528 9.298 1.00 0.00 H new ATOM 497 N THR A 34 -21.218 -6.002 5.407 1.00 0.00 N ATOM 498 CA THR A 34 -21.592 -6.859 4.289 1.00 0.00 C ATOM 499 C THR A 34 -20.780 -6.524 3.043 1.00 0.00 C ATOM 500 O THR A 34 -20.474 -7.402 2.235 1.00 0.00 O ATOM 501 CB THR A 34 -23.091 -6.730 3.959 1.00 0.00 C ATOM 502 OG1 THR A 34 -23.438 -5.352 3.782 1.00 0.00 O ATOM 503 CG2 THR A 34 -23.943 -7.333 5.067 1.00 0.00 C ATOM 0 H THR A 34 -21.845 -5.213 5.562 1.00 0.00 H new ATOM 0 HA THR A 34 -21.380 -7.884 4.593 1.00 0.00 H new ATOM 0 HB THR A 34 -23.284 -7.275 3.035 1.00 0.00 H new ATOM 0 HG1 THR A 34 -24.392 -5.279 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 34 -24.998 -7.230 4.812 1.00 0.00 H new ATOM 0 HG22 THR A 34 -23.698 -8.389 5.180 1.00 0.00 H new ATOM 0 HG23 THR A 34 -23.744 -6.812 6.004 1.00 0.00 H new ATOM 511 N ASP A 35 -20.433 -5.250 2.894 1.00 0.00 N ATOM 512 CA ASP A 35 -19.654 -4.800 1.746 1.00 0.00 C ATOM 513 C ASP A 35 -18.158 -4.879 2.040 1.00 0.00 C ATOM 514 O ASP A 35 -17.331 -4.738 1.139 1.00 0.00 O ATOM 515 CB ASP A 35 -20.038 -3.367 1.373 1.00 0.00 C ATOM 516 CG ASP A 35 -21.315 -3.304 0.559 1.00 0.00 C ATOM 517 OD1 ASP A 35 -22.393 -3.588 1.123 1.00 0.00 O ATOM 518 OD2 ASP A 35 -21.238 -2.971 -0.643 1.00 0.00 O ATOM 0 H ASP A 35 -20.679 -4.511 3.553 1.00 0.00 H new ATOM 0 HA ASP A 35 -19.876 -5.458 0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -20.161 -2.778 2.282 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -19.226 -2.912 0.806 1.00 0.00 H new ATOM 523 N ILE A 36 -17.821 -5.103 3.306 1.00 0.00 N ATOM 524 CA ILE A 36 -16.426 -5.200 3.717 1.00 0.00 C ATOM 525 C ILE A 36 -15.712 -6.327 2.979 1.00 0.00 C ATOM 526 O ILE A 36 -14.719 -6.116 2.283 1.00 0.00 O ATOM 527 CB ILE A 36 -16.302 -5.436 5.234 1.00 0.00 C ATOM 528 CG1 ILE A 36 -16.201 -4.101 5.973 1.00 0.00 C ATOM 529 CG2 ILE A 36 -15.093 -6.308 5.538 1.00 0.00 C ATOM 530 CD1 ILE A 36 -15.997 -4.249 7.465 1.00 0.00 C ATOM 0 H ILE A 36 -18.494 -5.221 4.063 1.00 0.00 H new ATOM 0 HA ILE A 36 -15.956 -4.249 3.465 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.196 -5.955 5.580 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.374 -3.526 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.110 -3.526 5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.019 -6.465 6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.203 -7.270 5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.189 -5.814 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.934 -3.262 7.923 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.836 -4.796 7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.073 -4.796 7.653 1.00 0.00 H new ATOM 542 N PRO A 37 -16.230 -7.556 3.133 1.00 0.00 N ATOM 543 CA PRO A 37 -15.658 -8.741 2.485 1.00 0.00 C ATOM 544 C PRO A 37 -15.868 -8.735 0.975 1.00 0.00 C ATOM 545 O PRO A 37 -15.012 -9.197 0.220 1.00 0.00 O ATOM 546 CB PRO A 37 -16.427 -9.900 3.126 1.00 0.00 C ATOM 547 CG PRO A 37 -17.721 -9.302 3.561 1.00 0.00 C ATOM 548 CD PRO A 37 -17.411 -7.882 3.947 1.00 0.00 C ATOM 0 HA PRO A 37 -14.578 -8.799 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -16.585 -10.711 2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -15.880 -10.318 3.971 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.457 -9.336 2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.142 -9.852 4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -18.245 -7.215 3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -17.201 -7.792 5.013 1.00 0.00 H new ATOM 556 N GLN A 38 -17.008 -8.207 0.542 1.00 0.00 N ATOM 557 CA GLN A 38 -17.328 -8.142 -0.879 1.00 0.00 C ATOM 558 C GLN A 38 -16.380 -7.193 -1.607 1.00 0.00 C ATOM 559 O GLN A 38 -15.930 -7.480 -2.717 1.00 0.00 O ATOM 560 CB GLN A 38 -18.775 -7.688 -1.077 1.00 0.00 C ATOM 561 CG GLN A 38 -19.172 -7.543 -2.537 1.00 0.00 C ATOM 562 CD GLN A 38 -20.532 -6.897 -2.711 1.00 0.00 C ATOM 563 OE1 GLN A 38 -21.454 -7.143 -1.931 1.00 0.00 O ATOM 564 NE2 GLN A 38 -20.667 -6.064 -3.736 1.00 0.00 N ATOM 0 H GLN A 38 -17.725 -7.818 1.154 1.00 0.00 H new ATOM 0 HA GLN A 38 -17.208 -9.140 -1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -19.441 -8.405 -0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -18.920 -6.732 -0.573 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -18.422 -6.946 -3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -19.178 -8.526 -3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -19.878 -5.888 -4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -21.560 -5.600 -3.902 1.00 0.00 H new ATOM 573 N LEU A 39 -16.083 -6.063 -0.975 1.00 0.00 N ATOM 574 CA LEU A 39 -15.188 -5.071 -1.563 1.00 0.00 C ATOM 575 C LEU A 39 -13.735 -5.522 -1.463 1.00 0.00 C ATOM 576 O LEU A 39 -12.982 -5.444 -2.434 1.00 0.00 O ATOM 577 CB LEU A 39 -15.365 -3.721 -0.866 1.00 0.00 C ATOM 578 CG LEU A 39 -16.640 -2.950 -1.208 1.00 0.00 C ATOM 579 CD1 LEU A 39 -16.892 -1.853 -0.186 1.00 0.00 C ATOM 580 CD2 LEU A 39 -16.550 -2.365 -2.610 1.00 0.00 C ATOM 0 H LEU A 39 -16.448 -5.810 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.444 -4.965 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.342 -3.885 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.508 -3.093 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.480 -3.644 -1.179 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -17.804 -1.315 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.002 -2.296 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.051 -1.160 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -17.466 -1.820 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.700 -1.685 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -16.419 -3.170 -3.333 1.00 0.00 H new ATOM 592 N SER A 40 -13.346 -5.995 -0.283 1.00 0.00 N ATOM 593 CA SER A 40 -11.982 -6.456 -0.056 1.00 0.00 C ATOM 594 C SER A 40 -11.578 -7.493 -1.100 1.00 0.00 C ATOM 595 O SER A 40 -10.427 -7.537 -1.533 1.00 0.00 O ATOM 596 CB SER A 40 -11.849 -7.051 1.347 1.00 0.00 C ATOM 597 OG SER A 40 -10.488 -7.206 1.710 1.00 0.00 O ATOM 0 H SER A 40 -13.957 -6.069 0.531 1.00 0.00 H new ATOM 0 HA SER A 40 -11.316 -5.598 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 40 -12.349 -6.405 2.068 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.351 -8.018 1.384 1.00 0.00 H new ATOM 0 HG SER A 40 -10.053 -7.828 1.090 1.00 0.00 H new ATOM 603 N GLN A 41 -12.535 -8.325 -1.499 1.00 0.00 N ATOM 604 CA GLN A 41 -12.280 -9.361 -2.493 1.00 0.00 C ATOM 605 C GLN A 41 -12.036 -8.749 -3.869 1.00 0.00 C ATOM 606 O GLN A 41 -11.301 -9.304 -4.684 1.00 0.00 O ATOM 607 CB GLN A 41 -13.455 -10.338 -2.556 1.00 0.00 C ATOM 608 CG GLN A 41 -13.456 -11.361 -1.433 1.00 0.00 C ATOM 609 CD GLN A 41 -14.448 -12.484 -1.669 1.00 0.00 C ATOM 610 OE1 GLN A 41 -15.362 -12.699 -0.871 1.00 0.00 O ATOM 611 NE2 GLN A 41 -14.272 -13.209 -2.768 1.00 0.00 N ATOM 0 H GLN A 41 -13.493 -8.302 -1.150 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.383 -9.903 -2.193 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -14.387 -9.774 -2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.431 -10.861 -3.512 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.456 -11.781 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.693 -10.863 -0.493 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.502 -12.996 -3.402 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -14.907 -13.979 -2.978 1.00 0.00 H new ATOM 620 N ALA A 42 -12.659 -7.602 -4.119 1.00 0.00 N ATOM 621 CA ALA A 42 -12.509 -6.914 -5.395 1.00 0.00 C ATOM 622 C ALA A 42 -11.153 -6.224 -5.490 1.00 0.00 C ATOM 623 O ALA A 42 -10.412 -6.421 -6.454 1.00 0.00 O ATOM 624 CB ALA A 42 -13.632 -5.905 -5.585 1.00 0.00 C ATOM 0 H ALA A 42 -13.272 -7.130 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.565 -7.657 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.508 -5.398 -6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.592 -6.422 -5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.602 -5.171 -4.779 1.00 0.00 H new ATOM 630 N SER A 43 -10.834 -5.415 -4.486 1.00 0.00 N ATOM 631 CA SER A 43 -9.568 -4.692 -4.459 1.00 0.00 C ATOM 632 C SER A 43 -8.405 -5.641 -4.188 1.00 0.00 C ATOM 633 O SER A 43 -7.251 -5.221 -4.111 1.00 0.00 O ATOM 634 CB SER A 43 -9.605 -3.595 -3.391 1.00 0.00 C ATOM 635 OG SER A 43 -9.644 -4.153 -2.090 1.00 0.00 O ATOM 0 H SER A 43 -11.435 -5.243 -3.680 1.00 0.00 H new ATOM 0 HA SER A 43 -9.420 -4.233 -5.437 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.727 -2.956 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.479 -2.962 -3.545 1.00 0.00 H new ATOM 0 HG SER A 43 -10.368 -3.737 -1.577 1.00 0.00 H new ATOM 641 N ARG A 44 -8.719 -6.925 -4.044 1.00 0.00 N ATOM 642 CA ARG A 44 -7.701 -7.935 -3.781 1.00 0.00 C ATOM 643 C ARG A 44 -6.959 -7.633 -2.482 1.00 0.00 C ATOM 644 O ARG A 44 -5.803 -8.023 -2.311 1.00 0.00 O ATOM 645 CB ARG A 44 -6.709 -8.005 -4.943 1.00 0.00 C ATOM 646 CG ARG A 44 -7.104 -9.001 -6.021 1.00 0.00 C ATOM 647 CD ARG A 44 -6.611 -8.565 -7.391 1.00 0.00 C ATOM 648 NE ARG A 44 -5.279 -9.088 -7.686 1.00 0.00 N ATOM 649 CZ ARG A 44 -4.756 -9.122 -8.906 1.00 0.00 C ATOM 650 NH1 ARG A 44 -5.448 -8.665 -9.941 1.00 0.00 N ATOM 651 NH2 ARG A 44 -3.538 -9.614 -9.094 1.00 0.00 N ATOM 0 H ARG A 44 -9.670 -7.290 -4.105 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.199 -8.899 -3.679 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.616 -7.016 -5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.726 -8.273 -4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.693 -9.981 -5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.189 -9.107 -6.040 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.311 -8.906 -8.154 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.592 -7.476 -7.440 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.720 -9.447 -6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.385 -8.286 -9.801 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.044 -8.692 -10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -3.002 -9.967 -8.301 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.137 -9.640 -10.032 1.00 0.00 H new ATOM 665 N LEU A 45 -7.630 -6.938 -1.571 1.00 0.00 N ATOM 666 CA LEU A 45 -7.034 -6.583 -0.288 1.00 0.00 C ATOM 667 C LEU A 45 -7.613 -7.439 0.835 1.00 0.00 C ATOM 668 O LEU A 45 -8.516 -8.245 0.613 1.00 0.00 O ATOM 669 CB LEU A 45 -7.268 -5.102 0.013 1.00 0.00 C ATOM 670 CG LEU A 45 -6.811 -4.118 -1.065 1.00 0.00 C ATOM 671 CD1 LEU A 45 -7.493 -2.771 -0.882 1.00 0.00 C ATOM 672 CD2 LEU A 45 -5.297 -3.960 -1.035 1.00 0.00 C ATOM 0 H LEU A 45 -8.587 -6.609 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.962 -6.770 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.333 -4.951 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.755 -4.855 0.943 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.096 -4.517 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.156 -2.084 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.573 -2.897 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.240 -2.365 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.989 -3.256 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.990 -3.584 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.827 -4.927 -1.216 1.00 0.00 H new ATOM 684 N SER A 46 -7.087 -7.256 2.042 1.00 0.00 N ATOM 685 CA SER A 46 -7.549 -8.011 3.200 1.00 0.00 C ATOM 686 C SER A 46 -8.766 -7.345 3.833 1.00 0.00 C ATOM 687 O SER A 46 -8.955 -6.133 3.721 1.00 0.00 O ATOM 688 CB SER A 46 -6.427 -8.138 4.234 1.00 0.00 C ATOM 689 OG SER A 46 -6.437 -7.043 5.133 1.00 0.00 O ATOM 0 H SER A 46 -6.340 -6.591 2.243 1.00 0.00 H new ATOM 0 HA SER A 46 -7.836 -9.007 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.543 -9.069 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.464 -8.187 3.726 1.00 0.00 H new ATOM 0 HG SER A 46 -5.712 -7.148 5.784 1.00 0.00 H new ATOM 695 N THR A 47 -9.592 -8.146 4.501 1.00 0.00 N ATOM 696 CA THR A 47 -10.792 -7.636 5.151 1.00 0.00 C ATOM 697 C THR A 47 -10.467 -6.447 6.048 1.00 0.00 C ATOM 698 O THR A 47 -11.321 -5.596 6.297 1.00 0.00 O ATOM 699 CB THR A 47 -11.481 -8.727 5.993 1.00 0.00 C ATOM 700 OG1 THR A 47 -11.743 -9.879 5.183 1.00 0.00 O ATOM 701 CG2 THR A 47 -12.783 -8.211 6.585 1.00 0.00 C ATOM 0 H THR A 47 -9.451 -9.151 4.605 1.00 0.00 H new ATOM 0 HA THR A 47 -11.470 -7.316 4.359 1.00 0.00 H new ATOM 0 HB THR A 47 -10.813 -9.002 6.809 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.179 -10.568 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.252 -8.998 7.175 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.577 -7.352 7.224 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.455 -7.912 5.781 1.00 0.00 H new ATOM 709 N GLN A 48 -9.230 -6.395 6.531 1.00 0.00 N ATOM 710 CA GLN A 48 -8.795 -5.308 7.400 1.00 0.00 C ATOM 711 C GLN A 48 -8.388 -4.087 6.584 1.00 0.00 C ATOM 712 O GLN A 48 -8.635 -2.951 6.986 1.00 0.00 O ATOM 713 CB GLN A 48 -7.626 -5.764 8.276 1.00 0.00 C ATOM 714 CG GLN A 48 -6.923 -4.625 8.993 1.00 0.00 C ATOM 715 CD GLN A 48 -7.696 -4.128 10.199 1.00 0.00 C ATOM 716 OE1 GLN A 48 -8.267 -4.918 10.952 1.00 0.00 O ATOM 717 NE2 GLN A 48 -7.718 -2.814 10.389 1.00 0.00 N ATOM 0 H GLN A 48 -8.512 -7.092 6.335 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.633 -5.031 8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.993 -6.476 9.015 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.903 -6.293 7.655 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.935 -4.956 9.311 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.774 -3.800 8.297 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.231 -2.197 9.740 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.222 -2.422 11.184 1.00 0.00 H new ATOM 726 N GLN A 49 -7.764 -4.330 5.435 1.00 0.00 N ATOM 727 CA GLN A 49 -7.322 -3.248 4.562 1.00 0.00 C ATOM 728 C GLN A 49 -8.475 -2.301 4.243 1.00 0.00 C ATOM 729 O GLN A 49 -8.371 -1.091 4.444 1.00 0.00 O ATOM 730 CB GLN A 49 -6.739 -3.816 3.268 1.00 0.00 C ATOM 731 CG GLN A 49 -5.323 -4.346 3.419 1.00 0.00 C ATOM 732 CD GLN A 49 -4.295 -3.239 3.547 1.00 0.00 C ATOM 733 OE1 GLN A 49 -3.632 -3.107 4.576 1.00 0.00 O ATOM 734 NE2 GLN A 49 -4.158 -2.435 2.500 1.00 0.00 N ATOM 0 H GLN A 49 -7.553 -5.266 5.087 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.548 -2.685 5.084 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.383 -4.620 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.747 -3.039 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.271 -4.988 4.299 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -5.078 -4.966 2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.728 -2.581 1.667 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.482 -1.671 2.528 1.00 0.00 H new ATOM 743 N VAL A 50 -9.573 -2.861 3.745 1.00 0.00 N ATOM 744 CA VAL A 50 -10.745 -2.065 3.399 1.00 0.00 C ATOM 745 C VAL A 50 -11.251 -1.279 4.604 1.00 0.00 C ATOM 746 O VAL A 50 -11.683 -0.133 4.473 1.00 0.00 O ATOM 747 CB VAL A 50 -11.885 -2.951 2.862 1.00 0.00 C ATOM 748 CG1 VAL A 50 -13.159 -2.138 2.695 1.00 0.00 C ATOM 749 CG2 VAL A 50 -11.481 -3.601 1.547 1.00 0.00 C ATOM 0 H VAL A 50 -9.675 -3.861 3.572 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.437 -1.369 2.619 1.00 0.00 H new ATOM 0 HB VAL A 50 -12.079 -3.742 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.953 -2.780 2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -13.456 -1.725 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -12.982 -1.325 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.298 -4.223 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.258 -2.827 0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.597 -4.219 1.703 1.00 0.00 H new ATOM 759 N LEU A 51 -11.196 -1.902 5.775 1.00 0.00 N ATOM 760 CA LEU A 51 -11.648 -1.260 7.005 1.00 0.00 C ATOM 761 C LEU A 51 -10.873 0.028 7.264 1.00 0.00 C ATOM 762 O LEU A 51 -11.449 1.042 7.659 1.00 0.00 O ATOM 763 CB LEU A 51 -11.486 -2.213 8.190 1.00 0.00 C ATOM 764 CG LEU A 51 -12.676 -3.126 8.486 1.00 0.00 C ATOM 765 CD1 LEU A 51 -12.256 -4.277 9.386 1.00 0.00 C ATOM 766 CD2 LEU A 51 -13.809 -2.334 9.123 1.00 0.00 C ATOM 0 H LEU A 51 -10.843 -2.851 5.900 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.703 -1.010 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.611 -2.837 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.278 -1.620 9.081 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.034 -3.542 7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.116 -4.916 9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.478 -4.860 8.892 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.872 -3.882 10.326 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.648 -2.999 9.327 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.463 -1.890 10.056 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.129 -1.545 8.442 1.00 0.00 H new ATOM 778 N ASP A 52 -9.565 -0.019 7.036 1.00 0.00 N ATOM 779 CA ASP A 52 -8.712 1.146 7.241 1.00 0.00 C ATOM 780 C ASP A 52 -8.918 2.173 6.133 1.00 0.00 C ATOM 781 O ASP A 52 -8.789 3.377 6.357 1.00 0.00 O ATOM 782 CB ASP A 52 -7.243 0.724 7.297 1.00 0.00 C ATOM 783 CG ASP A 52 -6.405 1.656 8.152 1.00 0.00 C ATOM 784 OD1 ASP A 52 -6.912 2.120 9.193 1.00 0.00 O ATOM 785 OD2 ASP A 52 -5.243 1.919 7.778 1.00 0.00 O ATOM 0 H ASP A 52 -9.073 -0.850 6.709 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.987 1.605 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.174 -0.289 7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.836 0.699 6.286 1.00 0.00 H new ATOM 790 N TRP A 53 -9.237 1.690 4.937 1.00 0.00 N ATOM 791 CA TRP A 53 -9.459 2.566 3.794 1.00 0.00 C ATOM 792 C TRP A 53 -10.592 3.548 4.072 1.00 0.00 C ATOM 793 O TRP A 53 -10.390 4.763 4.058 1.00 0.00 O ATOM 794 CB TRP A 53 -9.779 1.740 2.546 1.00 0.00 C ATOM 795 CG TRP A 53 -9.390 2.418 1.268 1.00 0.00 C ATOM 796 CD1 TRP A 53 -8.194 2.315 0.616 1.00 0.00 C ATOM 797 CD2 TRP A 53 -10.198 3.306 0.488 1.00 0.00 C ATOM 798 NE1 TRP A 53 -8.210 3.085 -0.522 1.00 0.00 N ATOM 799 CE2 TRP A 53 -9.429 3.702 -0.623 1.00 0.00 C ATOM 800 CE3 TRP A 53 -11.498 3.803 0.620 1.00 0.00 C ATOM 801 CZ2 TRP A 53 -9.918 4.573 -1.595 1.00 0.00 C ATOM 802 CZ3 TRP A 53 -11.981 4.667 -0.345 1.00 0.00 C ATOM 803 CH2 TRP A 53 -11.192 5.044 -1.440 1.00 0.00 C ATOM 0 H TRP A 53 -9.347 0.696 4.735 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.545 3.134 3.621 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -9.264 0.782 2.612 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -10.848 1.527 2.525 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.358 1.716 0.947 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.440 3.181 -1.184 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -12.113 3.517 1.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -9.312 4.865 -2.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -12.984 5.058 -0.253 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -11.599 5.721 -2.177 1.00 0.00 H new ATOM 814 N PHE A 54 -11.783 3.015 4.324 1.00 0.00 N ATOM 815 CA PHE A 54 -12.947 3.846 4.605 1.00 0.00 C ATOM 816 C PHE A 54 -12.740 4.660 5.879 1.00 0.00 C ATOM 817 O PHE A 54 -12.989 5.865 5.906 1.00 0.00 O ATOM 818 CB PHE A 54 -14.200 2.976 4.740 1.00 0.00 C ATOM 819 CG PHE A 54 -14.707 2.450 3.429 1.00 0.00 C ATOM 820 CD1 PHE A 54 -14.032 1.438 2.764 1.00 0.00 C ATOM 821 CD2 PHE A 54 -15.860 2.967 2.859 1.00 0.00 C ATOM 822 CE1 PHE A 54 -14.497 0.952 1.557 1.00 0.00 C ATOM 823 CE2 PHE A 54 -16.330 2.483 1.652 1.00 0.00 C ATOM 824 CZ PHE A 54 -15.647 1.475 1.000 1.00 0.00 C ATOM 0 H PHE A 54 -11.967 2.012 4.339 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.079 4.536 3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.980 2.136 5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.988 3.559 5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.132 1.025 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.397 3.757 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.961 0.163 1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.231 2.893 1.219 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.012 1.097 0.056 1.00 0.00 H new ATOM 834 N ASP A 55 -12.285 3.992 6.934 1.00 0.00 N ATOM 835 CA ASP A 55 -12.043 4.652 8.211 1.00 0.00 C ATOM 836 C ASP A 55 -11.158 5.881 8.029 1.00 0.00 C ATOM 837 O ASP A 55 -11.390 6.921 8.645 1.00 0.00 O ATOM 838 CB ASP A 55 -11.391 3.680 9.196 1.00 0.00 C ATOM 839 CG ASP A 55 -11.533 4.133 10.636 1.00 0.00 C ATOM 840 OD1 ASP A 55 -11.375 5.345 10.896 1.00 0.00 O ATOM 841 OD2 ASP A 55 -11.805 3.276 11.502 1.00 0.00 O ATOM 0 H ASP A 55 -12.076 2.994 6.929 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.003 4.975 8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.842 2.694 9.082 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -10.333 3.576 8.953 1.00 0.00 H new ATOM 846 N SER A 56 -10.144 5.753 7.180 1.00 0.00 N ATOM 847 CA SER A 56 -9.221 6.853 6.920 1.00 0.00 C ATOM 848 C SER A 56 -9.929 7.997 6.199 1.00 0.00 C ATOM 849 O SER A 56 -9.633 9.169 6.431 1.00 0.00 O ATOM 850 CB SER A 56 -8.035 6.365 6.086 1.00 0.00 C ATOM 851 OG SER A 56 -7.282 7.455 5.583 1.00 0.00 O ATOM 0 H SER A 56 -9.940 4.899 6.660 1.00 0.00 H new ATOM 0 HA SER A 56 -8.855 7.222 7.878 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.395 5.728 6.696 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.395 5.755 5.258 1.00 0.00 H new ATOM 0 HG SER A 56 -6.529 7.116 5.055 1.00 0.00 H new ATOM 857 N ARG A 57 -10.864 7.646 5.322 1.00 0.00 N ATOM 858 CA ARG A 57 -11.612 8.642 4.565 1.00 0.00 C ATOM 859 C ARG A 57 -12.435 9.528 5.497 1.00 0.00 C ATOM 860 O ARG A 57 -12.523 10.741 5.301 1.00 0.00 O ATOM 861 CB ARG A 57 -12.532 7.958 3.552 1.00 0.00 C ATOM 862 CG ARG A 57 -11.790 7.336 2.381 1.00 0.00 C ATOM 863 CD ARG A 57 -11.573 8.341 1.260 1.00 0.00 C ATOM 864 NE ARG A 57 -10.478 7.949 0.377 1.00 0.00 N ATOM 865 CZ ARG A 57 -9.195 8.111 0.681 1.00 0.00 C ATOM 866 NH1 ARG A 57 -8.848 8.654 1.840 1.00 0.00 N ATOM 867 NH2 ARG A 57 -8.257 7.729 -0.175 1.00 0.00 N ATOM 0 H ARG A 57 -11.121 6.680 5.118 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.897 9.269 4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.106 7.184 4.060 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.247 8.688 3.172 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.827 6.955 2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.355 6.484 2.003 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.490 8.439 0.679 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.361 9.321 1.688 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.711 7.528 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.567 8.949 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -7.862 8.777 2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.521 7.311 -1.067 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.272 7.854 0.059 1.00 0.00 H new ATOM 881 N LEU A 58 -13.035 8.915 6.511 1.00 0.00 N ATOM 882 CA LEU A 58 -13.851 9.647 7.473 1.00 0.00 C ATOM 883 C LEU A 58 -13.163 10.939 7.899 1.00 0.00 C ATOM 884 O LEU A 58 -11.935 11.039 7.925 1.00 0.00 O ATOM 885 CB LEU A 58 -14.132 8.778 8.700 1.00 0.00 C ATOM 886 CG LEU A 58 -15.074 7.592 8.482 1.00 0.00 C ATOM 887 CD1 LEU A 58 -15.036 6.653 9.677 1.00 0.00 C ATOM 888 CD2 LEU A 58 -16.493 8.080 8.228 1.00 0.00 C ATOM 0 H LEU A 58 -12.972 7.913 6.688 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.795 9.901 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.182 8.398 9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -14.553 9.412 9.481 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.738 7.041 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.712 5.816 9.504 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.022 6.278 9.813 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -15.347 7.191 10.573 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -17.150 7.224 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.839 8.654 9.087 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.507 8.712 7.340 1.00 0.00 H new ATOM 900 N PRO A 59 -13.968 11.955 8.244 1.00 0.00 N ATOM 901 CA PRO A 59 -13.459 13.258 8.678 1.00 0.00 C ATOM 902 C PRO A 59 -12.793 13.193 10.048 1.00 0.00 C ATOM 903 O PRO A 59 -12.618 14.215 10.712 1.00 0.00 O ATOM 904 CB PRO A 59 -14.717 14.130 8.735 1.00 0.00 C ATOM 905 CG PRO A 59 -15.833 13.169 8.954 1.00 0.00 C ATOM 906 CD PRO A 59 -15.441 11.907 8.236 1.00 0.00 C ATOM 0 HA PRO A 59 -12.690 13.639 8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -14.657 14.859 9.543 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -14.853 14.690 7.810 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.984 12.982 10.017 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.771 13.565 8.564 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.817 11.020 8.747 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -15.837 11.882 7.221 1.00 0.00 H new ATOM 914 N GLN A 60 -12.423 11.987 10.464 1.00 0.00 N ATOM 915 CA GLN A 60 -11.777 11.790 11.757 1.00 0.00 C ATOM 916 C GLN A 60 -10.356 12.344 11.744 1.00 0.00 C ATOM 917 O GLN A 60 -9.728 12.486 10.694 1.00 0.00 O ATOM 918 CB GLN A 60 -11.754 10.304 12.119 1.00 0.00 C ATOM 919 CG GLN A 60 -13.065 9.800 12.701 1.00 0.00 C ATOM 920 CD GLN A 60 -13.087 8.293 12.869 1.00 0.00 C ATOM 921 OE1 GLN A 60 -12.098 7.612 12.597 1.00 0.00 O ATOM 922 NE2 GLN A 60 -14.219 7.765 13.319 1.00 0.00 N ATOM 0 H GLN A 60 -12.559 11.132 9.925 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.352 12.330 12.509 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.515 9.725 11.227 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.954 10.126 12.838 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.234 10.272 13.669 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.887 10.102 12.051 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.014 8.368 13.532 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.294 6.756 13.452 1.00 0.00 H new ATOM 931 N PRO A 61 -9.835 12.666 12.938 1.00 0.00 N ATOM 932 CA PRO A 61 -8.482 13.210 13.090 1.00 0.00 C ATOM 933 C PRO A 61 -7.404 12.174 12.789 1.00 0.00 C ATOM 934 O PRO A 61 -7.179 11.253 13.573 1.00 0.00 O ATOM 935 CB PRO A 61 -8.430 13.623 14.563 1.00 0.00 C ATOM 936 CG PRO A 61 -9.434 12.751 15.236 1.00 0.00 C ATOM 937 CD PRO A 61 -10.527 12.523 14.230 1.00 0.00 C ATOM 0 HA PRO A 61 -8.291 14.029 12.396 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.434 13.476 14.981 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.675 14.678 14.687 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.986 11.807 15.545 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.825 13.228 16.135 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.974 11.535 14.339 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.331 13.251 14.338 1.00 0.00 H new ATOM 945 N ALA A 62 -6.740 12.333 11.649 1.00 0.00 N ATOM 946 CA ALA A 62 -5.683 11.413 11.246 1.00 0.00 C ATOM 947 C ALA A 62 -4.958 11.920 10.003 1.00 0.00 C ATOM 948 O ALA A 62 -5.525 12.664 9.204 1.00 0.00 O ATOM 949 CB ALA A 62 -6.258 10.027 10.995 1.00 0.00 C ATOM 0 H ALA A 62 -6.915 13.090 10.988 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.958 11.353 12.058 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.458 9.350 10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.724 9.656 11.908 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.004 10.081 10.202 1.00 0.00 H new ATOM 955 N GLU A 63 -3.702 11.513 9.850 1.00 0.00 N ATOM 956 CA GLU A 63 -2.901 11.928 8.706 1.00 0.00 C ATOM 957 C GLU A 63 -3.151 11.018 7.506 1.00 0.00 C ATOM 958 O GLU A 63 -3.733 9.942 7.641 1.00 0.00 O ATOM 959 CB GLU A 63 -1.414 11.917 9.066 1.00 0.00 C ATOM 960 CG GLU A 63 -0.856 10.525 9.310 1.00 0.00 C ATOM 961 CD GLU A 63 0.514 10.550 9.958 1.00 0.00 C ATOM 962 OE1 GLU A 63 1.493 10.887 9.261 1.00 0.00 O ATOM 963 OE2 GLU A 63 0.607 10.232 11.162 1.00 0.00 O ATOM 0 H GLU A 63 -3.218 10.897 10.503 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.196 12.943 8.438 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.851 12.389 8.261 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.261 12.522 9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.544 9.968 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.795 9.991 8.362 1.00 0.00 H new ATOM 970 N VAL A 64 -2.708 11.460 6.333 1.00 0.00 N ATOM 971 CA VAL A 64 -2.884 10.687 5.110 1.00 0.00 C ATOM 972 C VAL A 64 -1.668 10.816 4.199 1.00 0.00 C ATOM 973 O VAL A 64 -1.096 11.897 4.060 1.00 0.00 O ATOM 974 CB VAL A 64 -4.139 11.135 4.338 1.00 0.00 C ATOM 975 CG1 VAL A 64 -4.004 12.582 3.891 1.00 0.00 C ATOM 976 CG2 VAL A 64 -4.386 10.221 3.147 1.00 0.00 C ATOM 0 H VAL A 64 -2.225 12.349 6.204 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.003 9.645 5.408 1.00 0.00 H new ATOM 0 HB VAL A 64 -4.998 11.065 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.900 12.880 3.347 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.879 13.222 4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.135 12.682 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.277 10.552 2.613 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.527 10.256 2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.532 9.199 3.497 1.00 0.00 H new ATOM 986 N SER A 65 -1.278 9.705 3.581 1.00 0.00 N ATOM 987 CA SER A 65 -0.128 9.693 2.684 1.00 0.00 C ATOM 988 C SER A 65 -0.483 10.314 1.337 1.00 0.00 C ATOM 989 O SER A 65 0.122 11.301 0.918 1.00 0.00 O ATOM 990 CB SER A 65 0.373 8.263 2.484 1.00 0.00 C ATOM 991 OG SER A 65 1.547 8.239 1.690 1.00 0.00 O ATOM 0 H SER A 65 -1.741 8.802 3.685 1.00 0.00 H new ATOM 0 HA SER A 65 0.664 10.287 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.576 7.807 3.453 1.00 0.00 H new ATOM 0 HB3 SER A 65 -0.404 7.666 2.007 1.00 0.00 H new ATOM 0 HG SER A 65 1.848 7.313 1.579 1.00 0.00 H new ATOM 997 N GLY A 66 -1.466 9.728 0.662 1.00 0.00 N ATOM 998 CA GLY A 66 -1.885 10.236 -0.631 1.00 0.00 C ATOM 999 C GLY A 66 -3.019 9.430 -1.232 1.00 0.00 C ATOM 1000 O GLY A 66 -3.119 8.218 -1.036 1.00 0.00 O ATOM 0 H GLY A 66 -1.980 8.910 0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.198 11.275 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.035 10.227 -1.314 1.00 0.00 H new ATOM 1004 N PRO A 67 -3.901 10.108 -1.980 1.00 0.00 N ATOM 1005 CA PRO A 67 -5.051 9.467 -2.626 1.00 0.00 C ATOM 1006 C PRO A 67 -4.635 8.550 -3.771 1.00 0.00 C ATOM 1007 O PRO A 67 -5.469 7.867 -4.366 1.00 0.00 O ATOM 1008 CB PRO A 67 -5.865 10.650 -3.157 1.00 0.00 C ATOM 1009 CG PRO A 67 -4.869 11.743 -3.338 1.00 0.00 C ATOM 1010 CD PRO A 67 -3.843 11.554 -2.256 1.00 0.00 C ATOM 0 HA PRO A 67 -5.602 8.828 -1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.356 10.402 -4.098 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.647 10.939 -2.455 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.409 11.692 -4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.344 12.721 -3.258 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.850 11.861 -2.585 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.081 12.142 -1.370 1.00 0.00 H new ATOM 1018 N SER A 68 -3.341 8.537 -4.074 1.00 0.00 N ATOM 1019 CA SER A 68 -2.816 7.707 -5.150 1.00 0.00 C ATOM 1020 C SER A 68 -3.747 7.729 -6.359 1.00 0.00 C ATOM 1021 O SER A 68 -3.945 6.711 -7.022 1.00 0.00 O ATOM 1022 CB SER A 68 -2.625 6.267 -4.666 1.00 0.00 C ATOM 1023 OG SER A 68 -1.538 6.174 -3.762 1.00 0.00 O ATOM 0 H SER A 68 -2.637 9.093 -3.589 1.00 0.00 H new ATOM 0 HA SER A 68 -1.850 8.114 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.537 5.919 -4.181 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.449 5.613 -5.520 1.00 0.00 H new ATOM 0 HG SER A 68 -1.437 5.245 -3.466 1.00 0.00 H new ATOM 1029 N SER A 69 -4.316 8.897 -6.637 1.00 0.00 N ATOM 1030 CA SER A 69 -5.231 9.054 -7.763 1.00 0.00 C ATOM 1031 C SER A 69 -4.570 8.608 -9.065 1.00 0.00 C ATOM 1032 O SER A 69 -3.353 8.692 -9.216 1.00 0.00 O ATOM 1033 CB SER A 69 -5.684 10.509 -7.880 1.00 0.00 C ATOM 1034 OG SER A 69 -4.578 11.376 -8.055 1.00 0.00 O ATOM 0 H SER A 69 -4.160 9.749 -6.098 1.00 0.00 H new ATOM 0 HA SER A 69 -6.102 8.424 -7.583 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.368 10.613 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.235 10.794 -6.984 1.00 0.00 H new ATOM 0 HG SER A 69 -4.895 12.300 -8.129 1.00 0.00 H new ATOM 1040 N GLY A 70 -5.385 8.134 -10.003 1.00 0.00 N ATOM 1041 CA GLY A 70 -4.864 7.683 -11.278 1.00 0.00 C ATOM 1042 C GLY A 70 -5.013 6.186 -11.470 1.00 0.00 C ATOM 1043 O GLY A 70 -5.091 5.703 -12.599 1.00 0.00 O ATOM 0 H GLY A 70 -6.397 8.055 -9.901 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.383 8.203 -12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.810 7.952 -11.352 1.00 0.00 H new TER 1047 GLY A 70