USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 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 NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.17) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.298 USER MOD Single : A 13 THR OG1 : rot -44:sc= 0.514 USER MOD Single : A 16 LYS NZ :NH3+ -98:sc= 1.32 (180deg=-0.962) USER MOD Single : A 18 THR OG1 : rot -79:sc= 1.37 USER MOD Single : A 22 SER OG : rot -79:sc= 0.743 USER MOD Single : A 36 MET CE :methyl -139:sc= 0 (180deg=-0.0661) USER MOD Single : A 41 GLN : amide:sc= 0.798 K(o=0.8,f=-0.019) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.0919 K(o=0.092,f=-6.9!) USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= 1.06 (180deg=0.206) USER MOD Single : A 53 LYS NZ :NH3+ 154:sc= 1.43 (180deg=0.608) USER MOD Single : A 64 GLN : amide:sc= -0.695 X(o=-0.69,f=-0.98) USER MOD Single : A 67 SER OG : rot -61:sc= 0.904 USER MOD Single : A 69 SER OG : rot 27:sc= 0.528 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.376 -34.768 -9.740 1.00 18.24 N ATOM 2 CA MET A 1 24.922 -35.002 -9.807 1.00 18.05 C ATOM 3 C MET A 1 24.227 -33.825 -10.481 1.00 17.97 C ATOM 4 O MET A 1 23.931 -33.960 -11.659 1.00 19.02 O ATOM 5 CB MET A 1 24.330 -35.395 -8.445 1.00 17.46 C ATOM 6 CG MET A 1 24.007 -36.891 -8.478 1.00 18.12 C ATOM 7 SD MET A 1 23.677 -37.640 -6.865 1.00 17.42 S ATOM 8 CE MET A 1 25.367 -38.061 -6.364 1.00 17.97 C ATOM 0 H1 MET A 1 26.837 -35.578 -9.278 1.00 18.24 H new ATOM 0 H2 MET A 1 26.754 -34.656 -10.702 1.00 18.24 H new ATOM 0 H3 MET A 1 26.564 -33.904 -9.192 1.00 18.24 H new ATOM 0 HA MET A 1 24.735 -35.871 -10.438 1.00 18.05 H new ATOM 0 HB2 MET A 1 25.038 -35.176 -7.645 1.00 17.46 H new ATOM 0 HB3 MET A 1 23.429 -34.816 -8.241 1.00 17.46 H new ATOM 0 HG2 MET A 1 23.138 -37.045 -9.118 1.00 18.12 H new ATOM 0 HG3 MET A 1 24.841 -37.417 -8.942 1.00 18.12 H new ATOM 0 HE1 MET A 1 25.348 -38.536 -5.383 1.00 17.97 H new ATOM 0 HE2 MET A 1 25.802 -38.747 -7.091 1.00 17.97 H new ATOM 0 HE3 MET A 1 25.969 -37.154 -6.316 1.00 17.97 H new ATOM 20 N LYS A 2 24.028 -32.689 -9.794 1.00 16.94 N ATOM 21 CA LYS A 2 23.200 -31.573 -10.261 1.00 16.92 C ATOM 22 C LYS A 2 21.761 -32.023 -10.502 1.00 16.39 C ATOM 23 O LYS A 2 21.402 -32.398 -11.613 1.00 17.20 O ATOM 24 CB LYS A 2 23.756 -30.887 -11.523 1.00 18.14 C ATOM 25 CG LYS A 2 25.044 -30.101 -11.266 1.00 18.50 C ATOM 26 CD LYS A 2 25.355 -29.131 -12.415 1.00 19.73 C ATOM 27 CE LYS A 2 24.199 -28.134 -12.597 1.00 20.25 C ATOM 28 NZ LYS A 2 24.638 -26.849 -13.181 1.00 21.13 N ATOM 0 H LYS A 2 24.448 -32.520 -8.880 1.00 16.94 H new ATOM 0 HA LYS A 2 23.220 -30.832 -9.462 1.00 16.92 H new ATOM 0 HB2 LYS A 2 23.945 -31.643 -12.285 1.00 18.14 H new ATOM 0 HB3 LYS A 2 23.000 -30.212 -11.924 1.00 18.14 H new ATOM 0 HG2 LYS A 2 24.950 -29.543 -10.334 1.00 18.50 H new ATOM 0 HG3 LYS A 2 25.875 -30.795 -11.140 1.00 18.50 H new ATOM 0 HD2 LYS A 2 26.279 -28.593 -12.206 1.00 19.73 H new ATOM 0 HD3 LYS A 2 25.513 -29.688 -13.338 1.00 19.73 H new ATOM 0 HE2 LYS A 2 23.439 -28.579 -13.239 1.00 20.25 H new ATOM 0 HE3 LYS A 2 23.730 -27.948 -11.631 1.00 20.25 H new ATOM 0 HZ1 LYS A 2 23.819 -26.216 -13.281 1.00 21.13 H new ATOM 0 HZ2 LYS A 2 25.343 -26.407 -12.557 1.00 21.13 H new ATOM 0 HZ3 LYS A 2 25.061 -27.019 -14.116 1.00 21.13 H new ATOM 42 N GLN A 3 20.916 -31.930 -9.481 1.00 15.31 N ATOM 43 CA GLN A 3 19.495 -32.187 -9.631 1.00 15.01 C ATOM 44 C GLN A 3 18.764 -31.231 -8.705 1.00 13.94 C ATOM 45 O GLN A 3 18.096 -31.632 -7.758 1.00 13.92 O ATOM 46 CB GLN A 3 19.210 -33.671 -9.347 1.00 15.51 C ATOM 47 CG GLN A 3 17.854 -34.102 -9.911 1.00 16.16 C ATOM 48 CD GLN A 3 17.892 -34.172 -11.436 1.00 17.33 C ATOM 49 OE1 GLN A 3 18.388 -35.133 -12.008 1.00 18.14 O ATOM 50 NE2 GLN A 3 17.380 -33.159 -12.125 1.00 17.64 N ATOM 0 H GLN A 3 21.197 -31.676 -8.534 1.00 15.31 H new ATOM 0 HA GLN A 3 19.142 -32.008 -10.647 1.00 15.01 H new ATOM 0 HB2 GLN A 3 19.998 -34.284 -9.785 1.00 15.51 H new ATOM 0 HB3 GLN A 3 19.230 -33.847 -8.271 1.00 15.51 H new ATOM 0 HG2 GLN A 3 17.581 -35.076 -9.506 1.00 16.16 H new ATOM 0 HG3 GLN A 3 17.084 -33.398 -9.595 1.00 16.16 H new ATOM 0 HE21 GLN A 3 16.970 -32.364 -11.635 1.00 17.64 H new ATOM 0 HE22 GLN A 3 17.397 -33.176 -13.145 1.00 17.64 H new ATOM 59 N ASP A 4 18.917 -29.945 -9.004 1.00 13.32 N ATOM 60 CA ASP A 4 18.555 -28.864 -8.118 1.00 12.30 C ATOM 61 C ASP A 4 17.994 -27.798 -9.041 1.00 12.35 C ATOM 62 O ASP A 4 18.697 -27.323 -9.933 1.00 13.09 O ATOM 63 CB ASP A 4 19.795 -28.344 -7.372 1.00 11.72 C ATOM 64 CG ASP A 4 20.536 -29.430 -6.589 1.00 11.73 C ATOM 65 OD1 ASP A 4 20.303 -29.519 -5.366 1.00 11.60 O ATOM 66 OD2 ASP A 4 21.347 -30.148 -7.228 1.00 12.29 O ATOM 0 H ASP A 4 19.306 -29.627 -9.892 1.00 13.32 H new ATOM 0 HA ASP A 4 17.841 -29.167 -7.353 1.00 12.30 H new ATOM 0 HB2 ASP A 4 20.480 -27.894 -8.091 1.00 11.72 H new ATOM 0 HB3 ASP A 4 19.491 -27.555 -6.684 1.00 11.72 H new ATOM 71 N GLY A 5 16.720 -27.465 -8.876 1.00 11.87 N ATOM 72 CA GLY A 5 16.061 -26.417 -9.634 1.00 11.92 C ATOM 73 C GLY A 5 15.121 -25.667 -8.698 1.00 10.57 C ATOM 74 O GLY A 5 14.583 -26.275 -7.774 1.00 10.13 O ATOM 0 H GLY A 5 16.109 -27.924 -8.201 1.00 11.87 H new ATOM 0 HA2 GLY A 5 16.798 -25.735 -10.058 1.00 11.92 H new ATOM 0 HA3 GLY A 5 15.505 -26.844 -10.468 1.00 11.92 H new ATOM 78 N GLU A 6 14.945 -24.361 -8.906 1.00 10.12 N ATOM 79 CA GLU A 6 14.187 -23.501 -8.011 1.00 8.86 C ATOM 80 C GLU A 6 13.652 -22.328 -8.835 1.00 8.96 C ATOM 81 O GLU A 6 14.306 -21.905 -9.792 1.00 9.94 O ATOM 82 CB GLU A 6 15.127 -23.020 -6.892 1.00 8.20 C ATOM 83 CG GLU A 6 14.459 -22.104 -5.859 1.00 8.05 C ATOM 84 CD GLU A 6 13.279 -22.794 -5.175 1.00 8.21 C ATOM 85 OE1 GLU A 6 12.230 -22.910 -5.850 1.00 9.01 O ATOM 86 OE2 GLU A 6 13.447 -23.212 -4.010 1.00 7.97 O ATOM 0 H GLU A 6 15.332 -23.870 -9.712 1.00 10.12 H new ATOM 0 HA GLU A 6 13.348 -24.024 -7.553 1.00 8.86 H new ATOM 0 HB2 GLU A 6 15.537 -23.890 -6.378 1.00 8.20 H new ATOM 0 HB3 GLU A 6 15.967 -22.490 -7.341 1.00 8.20 H new ATOM 0 HG2 GLU A 6 15.191 -21.806 -5.109 1.00 8.05 H new ATOM 0 HG3 GLU A 6 14.115 -21.193 -6.348 1.00 8.05 H new ATOM 93 N GLU A 7 12.476 -21.799 -8.498 1.00 8.21 N ATOM 94 CA GLU A 7 11.916 -20.656 -9.203 1.00 8.29 C ATOM 95 C GLU A 7 12.414 -19.361 -8.569 1.00 6.80 C ATOM 96 O GLU A 7 11.802 -18.818 -7.653 1.00 6.56 O ATOM 97 CB GLU A 7 10.381 -20.705 -9.227 1.00 9.10 C ATOM 98 CG GLU A 7 9.895 -21.664 -10.320 1.00 10.91 C ATOM 99 CD GLU A 7 8.387 -21.544 -10.549 1.00 12.39 C ATOM 100 OE1 GLU A 7 7.656 -22.460 -10.111 1.00 13.20 O ATOM 101 OE2 GLU A 7 7.985 -20.545 -11.187 1.00 13.00 O ATOM 0 H GLU A 7 11.894 -22.149 -7.737 1.00 8.21 H new ATOM 0 HA GLU A 7 12.253 -20.693 -10.239 1.00 8.29 H new ATOM 0 HB2 GLU A 7 10.006 -21.029 -8.256 1.00 9.10 H new ATOM 0 HB3 GLU A 7 9.981 -19.707 -9.406 1.00 9.10 H new ATOM 0 HG2 GLU A 7 10.422 -21.453 -11.250 1.00 10.91 H new ATOM 0 HG3 GLU A 7 10.140 -22.689 -10.040 1.00 10.91 H new ATOM 108 N GLY A 8 13.509 -18.818 -9.101 1.00 6.59 N ATOM 109 CA GLY A 8 13.927 -17.471 -8.754 1.00 6.09 C ATOM 110 C GLY A 8 14.508 -17.419 -7.345 1.00 4.76 C ATOM 111 O GLY A 8 15.479 -18.113 -7.052 1.00 5.06 O ATOM 0 H GLY A 8 14.116 -19.292 -9.770 1.00 6.59 H new ATOM 0 HA2 GLY A 8 14.671 -17.123 -9.470 1.00 6.09 H new ATOM 0 HA3 GLY A 8 13.076 -16.794 -8.824 1.00 6.09 H new ATOM 115 N THR A 9 13.965 -16.548 -6.493 1.00 4.22 N ATOM 116 CA THR A 9 14.429 -16.342 -5.132 1.00 4.73 C ATOM 117 C THR A 9 13.347 -15.522 -4.411 1.00 4.52 C ATOM 118 O THR A 9 12.171 -15.670 -4.738 1.00 3.71 O ATOM 119 CB THR A 9 15.837 -15.713 -5.160 1.00 6.64 C ATOM 120 OG1 THR A 9 16.380 -15.609 -3.860 1.00 8.09 O ATOM 121 CG2 THR A 9 15.868 -14.342 -5.835 1.00 7.75 C ATOM 0 H THR A 9 13.173 -15.956 -6.742 1.00 4.22 H new ATOM 0 HA THR A 9 14.557 -17.267 -4.570 1.00 4.73 H new ATOM 0 HB THR A 9 16.448 -16.390 -5.757 1.00 6.64 H new ATOM 0 HG1 THR A 9 17.273 -15.209 -3.910 1.00 8.09 H new ATOM 0 HG21 THR A 9 16.886 -13.953 -5.822 1.00 7.75 H new ATOM 0 HG22 THR A 9 15.528 -14.436 -6.866 1.00 7.75 H new ATOM 0 HG23 THR A 9 15.211 -13.657 -5.298 1.00 7.75 H new ATOM 129 N GLU A 10 13.725 -14.674 -3.452 1.00 5.95 N ATOM 130 CA GLU A 10 12.836 -13.772 -2.729 1.00 6.40 C ATOM 131 C GLU A 10 11.981 -12.949 -3.706 1.00 4.45 C ATOM 132 O GLU A 10 12.427 -12.633 -4.810 1.00 4.27 O ATOM 133 CB GLU A 10 13.710 -12.829 -1.886 1.00 8.66 C ATOM 134 CG GLU A 10 12.978 -12.242 -0.671 1.00 10.09 C ATOM 135 CD GLU A 10 13.093 -13.148 0.556 1.00 11.87 C ATOM 136 OE1 GLU A 10 13.251 -12.584 1.664 1.00 13.32 O ATOM 137 OE2 GLU A 10 13.048 -14.384 0.370 1.00 12.02 O ATOM 0 H GLU A 10 14.696 -14.596 -3.149 1.00 5.95 H new ATOM 0 HA GLU A 10 12.161 -14.348 -2.096 1.00 6.40 H new ATOM 0 HB2 GLU A 10 14.591 -13.372 -1.543 1.00 8.66 H new ATOM 0 HB3 GLU A 10 14.064 -12.013 -2.516 1.00 8.66 H new ATOM 0 HG2 GLU A 10 13.391 -11.261 -0.438 1.00 10.09 H new ATOM 0 HG3 GLU A 10 11.926 -12.095 -0.917 1.00 10.09 H new ATOM 144 N GLU A 11 10.772 -12.554 -3.299 1.00 3.89 N ATOM 145 CA GLU A 11 9.932 -11.693 -4.123 1.00 2.17 C ATOM 146 C GLU A 11 10.601 -10.331 -4.286 1.00 2.38 C ATOM 147 O GLU A 11 11.339 -9.883 -3.406 1.00 3.22 O ATOM 148 CB GLU A 11 8.548 -11.466 -3.490 1.00 2.59 C ATOM 149 CG GLU A 11 7.677 -12.724 -3.388 1.00 3.19 C ATOM 150 CD GLU A 11 8.164 -13.695 -2.313 1.00 3.88 C ATOM 151 OE1 GLU A 11 7.928 -14.909 -2.483 1.00 4.94 O ATOM 152 OE2 GLU A 11 8.791 -13.202 -1.345 1.00 4.08 O ATOM 0 H GLU A 11 10.357 -12.818 -2.405 1.00 3.89 H new ATOM 0 HA GLU A 11 9.805 -12.190 -5.085 1.00 2.17 H new ATOM 0 HB2 GLU A 11 8.684 -11.052 -2.491 1.00 2.59 H new ATOM 0 HB3 GLU A 11 8.014 -10.717 -4.075 1.00 2.59 H new ATOM 0 HG2 GLU A 11 6.650 -12.433 -3.170 1.00 3.19 H new ATOM 0 HG3 GLU A 11 7.666 -13.232 -4.352 1.00 3.19 H new ATOM 159 N ASP A 12 10.255 -9.605 -5.349 1.00 1.97 N ATOM 160 CA ASP A 12 10.751 -8.259 -5.578 1.00 2.21 C ATOM 161 C ASP A 12 9.564 -7.418 -6.017 1.00 2.06 C ATOM 162 O ASP A 12 8.898 -7.774 -6.985 1.00 2.36 O ATOM 163 CB ASP A 12 11.869 -8.258 -6.633 1.00 2.86 C ATOM 164 CG ASP A 12 13.103 -7.519 -6.121 1.00 3.95 C ATOM 165 OD1 ASP A 12 12.904 -6.561 -5.338 1.00 4.20 O ATOM 166 OD2 ASP A 12 14.219 -7.908 -6.526 1.00 5.03 O ATOM 0 H ASP A 12 9.621 -9.940 -6.074 1.00 1.97 H new ATOM 0 HA ASP A 12 11.190 -7.845 -4.670 1.00 2.21 H new ATOM 0 HB2 ASP A 12 12.135 -9.284 -6.888 1.00 2.86 H new ATOM 0 HB3 ASP A 12 11.511 -7.785 -7.547 1.00 2.86 H new ATOM 171 N THR A 13 9.262 -6.354 -5.265 1.00 1.89 N ATOM 172 CA THR A 13 8.127 -5.447 -5.453 1.00 1.87 C ATOM 173 C THR A 13 6.832 -6.141 -5.924 1.00 1.87 C ATOM 174 O THR A 13 6.072 -5.558 -6.694 1.00 2.14 O ATOM 175 CB THR A 13 8.571 -4.267 -6.343 1.00 2.22 C ATOM 176 OG1 THR A 13 7.578 -3.264 -6.383 1.00 1.95 O ATOM 177 CG2 THR A 13 8.945 -4.655 -7.777 1.00 3.96 C ATOM 0 H THR A 13 9.836 -6.089 -4.464 1.00 1.89 H new ATOM 0 HA THR A 13 7.838 -5.053 -4.478 1.00 1.87 H new ATOM 0 HB THR A 13 9.480 -3.893 -5.871 1.00 2.22 H new ATOM 0 HG1 THR A 13 6.699 -3.679 -6.505 1.00 1.95 H new ATOM 0 HG21 THR A 13 9.244 -3.764 -8.329 1.00 3.96 H new ATOM 0 HG22 THR A 13 9.772 -5.365 -7.758 1.00 3.96 H new ATOM 0 HG23 THR A 13 8.085 -5.113 -8.266 1.00 3.96 H new ATOM 185 N GLU A 14 6.551 -7.351 -5.427 1.00 1.65 N ATOM 186 CA GLU A 14 5.383 -8.124 -5.836 1.00 1.62 C ATOM 187 C GLU A 14 4.246 -7.844 -4.851 1.00 1.60 C ATOM 188 O GLU A 14 3.471 -6.919 -5.067 1.00 2.10 O ATOM 189 CB GLU A 14 5.756 -9.616 -5.985 1.00 1.49 C ATOM 190 CG GLU A 14 5.496 -10.153 -7.401 1.00 2.04 C ATOM 191 CD GLU A 14 4.011 -10.234 -7.764 1.00 1.79 C ATOM 192 OE1 GLU A 14 3.692 -11.005 -8.695 1.00 2.24 O ATOM 193 OE2 GLU A 14 3.220 -9.505 -7.128 1.00 3.11 O ATOM 0 H GLU A 14 7.130 -7.818 -4.730 1.00 1.65 H new ATOM 0 HA GLU A 14 5.027 -7.823 -6.821 1.00 1.62 H new ATOM 0 HB2 GLU A 14 6.809 -9.750 -5.738 1.00 1.49 H new ATOM 0 HB3 GLU A 14 5.183 -10.203 -5.267 1.00 1.49 H new ATOM 0 HG2 GLU A 14 6.003 -9.512 -8.122 1.00 2.04 H new ATOM 0 HG3 GLU A 14 5.938 -11.145 -7.491 1.00 2.04 H new ATOM 200 N GLU A 15 4.180 -8.550 -3.717 1.00 1.19 N ATOM 201 CA GLU A 15 3.064 -8.416 -2.785 1.00 1.17 C ATOM 202 C GLU A 15 3.609 -8.182 -1.380 1.00 0.93 C ATOM 203 O GLU A 15 3.418 -8.972 -0.457 1.00 0.89 O ATOM 204 CB GLU A 15 2.083 -9.597 -2.898 1.00 1.29 C ATOM 205 CG GLU A 15 2.700 -10.996 -2.718 1.00 2.43 C ATOM 206 CD GLU A 15 1.626 -12.077 -2.527 1.00 2.48 C ATOM 207 OE1 GLU A 15 0.690 -11.837 -1.731 1.00 2.78 O ATOM 208 OE2 GLU A 15 1.754 -13.161 -3.134 1.00 3.45 O ATOM 0 H GLU A 15 4.891 -9.221 -3.425 1.00 1.19 H new ATOM 0 HA GLU A 15 2.465 -7.543 -3.044 1.00 1.17 H new ATOM 0 HB2 GLU A 15 1.299 -9.467 -2.152 1.00 1.29 H new ATOM 0 HB3 GLU A 15 1.603 -9.555 -3.876 1.00 1.29 H new ATOM 0 HG2 GLU A 15 3.308 -11.239 -3.589 1.00 2.43 H new ATOM 0 HG3 GLU A 15 3.366 -10.990 -1.855 1.00 2.43 H new ATOM 215 N LYS A 16 4.304 -7.055 -1.210 1.00 0.85 N ATOM 216 CA LYS A 16 5.000 -6.754 0.032 1.00 0.66 C ATOM 217 C LYS A 16 4.574 -5.378 0.529 1.00 0.68 C ATOM 218 O LYS A 16 4.848 -4.363 -0.105 1.00 0.81 O ATOM 219 CB LYS A 16 6.518 -6.907 -0.158 1.00 0.64 C ATOM 220 CG LYS A 16 6.824 -8.325 -0.674 1.00 0.69 C ATOM 221 CD LYS A 16 8.238 -8.827 -0.357 1.00 1.05 C ATOM 222 CE LYS A 16 9.244 -8.272 -1.353 1.00 1.40 C ATOM 223 NZ LYS A 16 10.594 -8.838 -1.133 1.00 1.90 N ATOM 0 H LYS A 16 4.397 -6.334 -1.926 1.00 0.85 H new ATOM 0 HA LYS A 16 4.726 -7.467 0.810 1.00 0.66 H new ATOM 0 HB2 LYS A 16 6.885 -6.163 -0.865 1.00 0.64 H new ATOM 0 HB3 LYS A 16 7.034 -6.731 0.786 1.00 0.64 H new ATOM 0 HG2 LYS A 16 6.101 -9.018 -0.244 1.00 0.69 H new ATOM 0 HG3 LYS A 16 6.679 -8.344 -1.754 1.00 0.69 H new ATOM 0 HD2 LYS A 16 8.517 -8.528 0.653 1.00 1.05 H new ATOM 0 HD3 LYS A 16 8.256 -9.917 -0.383 1.00 1.05 H new ATOM 0 HE2 LYS A 16 8.915 -8.497 -2.368 1.00 1.40 H new ATOM 0 HE3 LYS A 16 9.285 -7.186 -1.264 1.00 1.40 H new ATOM 0 HZ1 LYS A 16 11.163 -8.171 -0.574 1.00 1.90 H new ATOM 0 HZ2 LYS A 16 10.513 -9.739 -0.620 1.00 1.90 H new ATOM 0 HZ3 LYS A 16 11.055 -9.003 -2.051 1.00 1.90 H new ATOM 237 N CYS A 17 3.876 -5.362 1.663 1.00 0.67 N ATOM 238 CA CYS A 17 3.535 -4.184 2.435 1.00 0.62 C ATOM 239 C CYS A 17 4.841 -3.541 2.902 1.00 0.50 C ATOM 240 O CYS A 17 5.485 -4.033 3.830 1.00 0.49 O ATOM 241 CB CYS A 17 2.714 -4.677 3.634 1.00 0.65 C ATOM 242 SG CYS A 17 2.330 -3.373 4.821 1.00 0.64 S ATOM 0 H CYS A 17 3.518 -6.219 2.084 1.00 0.67 H new ATOM 0 HA CYS A 17 2.965 -3.450 1.865 1.00 0.62 H new ATOM 0 HB2 CYS A 17 1.784 -5.115 3.273 1.00 0.65 H new ATOM 0 HB3 CYS A 17 3.264 -5.470 4.141 1.00 0.65 H new ATOM 247 N THR A 18 5.211 -2.392 2.333 1.00 0.58 N ATOM 248 CA THR A 18 6.394 -1.673 2.784 1.00 0.64 C ATOM 249 C THR A 18 5.960 -0.590 3.778 1.00 0.56 C ATOM 250 O THR A 18 6.535 0.498 3.828 1.00 0.64 O ATOM 251 CB THR A 18 7.156 -1.123 1.573 1.00 0.96 C ATOM 252 OG1 THR A 18 6.321 -0.262 0.839 1.00 1.19 O ATOM 253 CG2 THR A 18 7.634 -2.254 0.649 1.00 1.04 C ATOM 0 H THR A 18 4.710 -1.946 1.565 1.00 0.58 H new ATOM 0 HA THR A 18 7.086 -2.334 3.306 1.00 0.64 H new ATOM 0 HB THR A 18 8.027 -0.584 1.945 1.00 0.96 H new ATOM 0 HG1 THR A 18 5.710 -0.792 0.286 1.00 1.19 H new ATOM 0 HG21 THR A 18 8.170 -1.829 -0.199 1.00 1.04 H new ATOM 0 HG22 THR A 18 8.298 -2.919 1.201 1.00 1.04 H new ATOM 0 HG23 THR A 18 6.773 -2.818 0.288 1.00 1.04 H new ATOM 261 N ILE A 19 4.920 -0.889 4.561 1.00 0.58 N ATOM 262 CA ILE A 19 4.444 -0.078 5.657 1.00 0.59 C ATOM 263 C ILE A 19 4.860 -0.790 6.944 1.00 0.64 C ATOM 264 O ILE A 19 5.930 -0.496 7.467 1.00 0.90 O ATOM 265 CB ILE A 19 2.945 0.126 5.530 1.00 0.57 C ATOM 266 CG1 ILE A 19 2.597 0.648 4.131 1.00 0.57 C ATOM 267 CG2 ILE A 19 2.491 1.036 6.676 1.00 0.68 C ATOM 268 CD1 ILE A 19 1.242 1.297 4.059 1.00 0.65 C ATOM 0 H ILE A 19 4.372 -1.740 4.434 1.00 0.58 H new ATOM 0 HA ILE A 19 4.876 0.923 5.658 1.00 0.59 H new ATOM 0 HB ILE A 19 2.400 -0.813 5.625 1.00 0.57 H new ATOM 0 HG12 ILE A 19 3.354 1.368 3.821 1.00 0.57 H new ATOM 0 HG13 ILE A 19 2.634 -0.179 3.422 1.00 0.57 H new ATOM 0 HG21 ILE A 19 1.415 1.198 6.607 1.00 0.68 H new ATOM 0 HG22 ILE A 19 2.727 0.565 7.630 1.00 0.68 H new ATOM 0 HG23 ILE A 19 3.008 1.993 6.607 1.00 0.68 H new ATOM 0 HD11 ILE A 19 1.058 1.644 3.042 1.00 0.65 H new ATOM 0 HD12 ILE A 19 0.477 0.573 4.339 1.00 0.65 H new ATOM 0 HD13 ILE A 19 1.208 2.145 4.743 1.00 0.65 H new ATOM 280 N CYS A 20 4.087 -1.781 7.417 1.00 0.63 N ATOM 281 CA CYS A 20 4.420 -2.559 8.601 1.00 0.71 C ATOM 282 C CYS A 20 5.310 -3.743 8.198 1.00 0.77 C ATOM 283 O CYS A 20 5.090 -4.865 8.643 1.00 1.20 O ATOM 284 CB CYS A 20 3.112 -2.957 9.327 1.00 1.10 C ATOM 285 SG CYS A 20 2.005 -4.186 8.541 1.00 1.61 S ATOM 0 H CYS A 20 3.209 -2.060 6.979 1.00 0.63 H new ATOM 0 HA CYS A 20 5.002 -1.977 9.316 1.00 0.71 H new ATOM 0 HB2 CYS A 20 3.384 -3.340 10.311 1.00 1.10 H new ATOM 0 HB3 CYS A 20 2.534 -2.047 9.487 1.00 1.10 H new ATOM 290 N LEU A 21 6.298 -3.471 7.333 1.00 0.79 N ATOM 291 CA LEU A 21 7.338 -4.357 6.816 1.00 0.94 C ATOM 292 C LEU A 21 6.917 -5.827 6.816 1.00 1.05 C ATOM 293 O LEU A 21 7.431 -6.633 7.588 1.00 1.42 O ATOM 294 CB LEU A 21 8.638 -4.116 7.603 1.00 1.27 C ATOM 295 CG LEU A 21 9.145 -2.665 7.502 1.00 1.37 C ATOM 296 CD1 LEU A 21 10.342 -2.464 8.432 1.00 1.96 C ATOM 297 CD2 LEU A 21 9.559 -2.308 6.070 1.00 1.61 C ATOM 0 H LEU A 21 6.393 -2.533 6.944 1.00 0.79 H new ATOM 0 HA LEU A 21 7.511 -4.117 5.767 1.00 0.94 H new ATOM 0 HB2 LEU A 21 8.473 -4.365 8.651 1.00 1.27 H new ATOM 0 HB3 LEU A 21 9.410 -4.791 7.233 1.00 1.27 H new ATOM 0 HG LEU A 21 8.325 -2.010 7.797 1.00 1.37 H new ATOM 0 HD11 LEU A 21 10.694 -1.435 8.354 1.00 1.96 H new ATOM 0 HD12 LEU A 21 10.042 -2.668 9.460 1.00 1.96 H new ATOM 0 HD13 LEU A 21 11.144 -3.145 8.145 1.00 1.96 H new ATOM 0 HD21 LEU A 21 9.911 -1.277 6.039 1.00 1.61 H new ATOM 0 HD22 LEU A 21 10.359 -2.974 5.746 1.00 1.61 H new ATOM 0 HD23 LEU A 21 8.702 -2.419 5.405 1.00 1.61 H new ATOM 309 N SER A 22 5.988 -6.182 5.928 1.00 0.88 N ATOM 310 CA SER A 22 5.416 -7.516 5.863 1.00 1.19 C ATOM 311 C SER A 22 5.178 -7.913 4.420 1.00 0.91 C ATOM 312 O SER A 22 4.893 -7.079 3.569 1.00 0.83 O ATOM 313 CB SER A 22 4.104 -7.569 6.668 1.00 1.76 C ATOM 314 OG SER A 22 3.440 -6.302 6.772 1.00 2.11 O ATOM 0 H SER A 22 5.612 -5.541 5.229 1.00 0.88 H new ATOM 0 HA SER A 22 6.118 -8.225 6.302 1.00 1.19 H new ATOM 0 HB2 SER A 22 3.429 -8.285 6.199 1.00 1.76 H new ATOM 0 HB3 SER A 22 4.318 -7.941 7.670 1.00 1.76 H new ATOM 0 HG SER A 22 3.872 -5.762 7.467 1.00 2.11 H new ATOM 320 N ILE A 23 5.278 -9.204 4.134 1.00 0.99 N ATOM 321 CA ILE A 23 4.708 -9.757 2.934 1.00 0.96 C ATOM 322 C ILE A 23 3.240 -10.042 3.229 1.00 1.17 C ATOM 323 O ILE A 23 2.827 -10.084 4.388 1.00 1.38 O ATOM 324 CB ILE A 23 5.538 -10.979 2.524 1.00 1.05 C ATOM 325 CG1 ILE A 23 6.981 -10.529 2.241 1.00 1.18 C ATOM 326 CG2 ILE A 23 5.004 -11.593 1.228 1.00 1.04 C ATOM 327 CD1 ILE A 23 7.974 -10.442 3.400 1.00 1.39 C ATOM 0 H ILE A 23 5.754 -9.884 4.727 1.00 0.99 H new ATOM 0 HA ILE A 23 4.737 -9.082 2.079 1.00 0.96 H new ATOM 0 HB ILE A 23 5.487 -11.708 3.333 1.00 1.05 H new ATOM 0 HG12 ILE A 23 7.399 -11.212 1.501 1.00 1.18 H new ATOM 0 HG13 ILE A 23 6.933 -9.545 1.775 1.00 1.18 H new ATOM 0 HG21 ILE A 23 5.610 -12.458 0.959 1.00 1.04 H new ATOM 0 HG22 ILE A 23 3.970 -11.905 1.372 1.00 1.04 H new ATOM 0 HG23 ILE A 23 5.052 -10.854 0.429 1.00 1.04 H new ATOM 0 HD11 ILE A 23 8.942 -10.110 3.025 1.00 1.39 H new ATOM 0 HD12 ILE A 23 7.608 -9.731 4.140 1.00 1.39 H new ATOM 0 HD13 ILE A 23 8.081 -11.424 3.862 1.00 1.39 H new ATOM 339 N LEU A 24 2.446 -10.128 2.167 1.00 1.22 N ATOM 340 CA LEU A 24 1.012 -10.283 2.248 1.00 1.52 C ATOM 341 C LEU A 24 0.682 -11.766 2.229 1.00 1.48 C ATOM 342 O LEU A 24 0.433 -12.340 3.283 1.00 1.80 O ATOM 343 CB LEU A 24 0.389 -9.507 1.083 1.00 1.65 C ATOM 344 CG LEU A 24 0.699 -8.013 1.169 1.00 1.77 C ATOM 345 CD1 LEU A 24 0.216 -7.373 -0.128 1.00 2.15 C ATOM 346 CD2 LEU A 24 0.044 -7.417 2.405 1.00 2.06 C ATOM 0 H LEU A 24 2.796 -10.090 1.210 1.00 1.22 H new ATOM 0 HA LEU A 24 0.600 -9.879 3.173 1.00 1.52 H new ATOM 0 HB2 LEU A 24 0.765 -9.903 0.140 1.00 1.65 H new ATOM 0 HB3 LEU A 24 -0.691 -9.655 1.083 1.00 1.65 H new ATOM 0 HG LEU A 24 1.768 -7.826 1.275 1.00 1.77 H new ATOM 0 HD11 LEU A 24 0.421 -6.303 -0.104 1.00 2.15 H new ATOM 0 HD12 LEU A 24 0.738 -7.823 -0.972 1.00 2.15 H new ATOM 0 HD13 LEU A 24 -0.856 -7.535 -0.236 1.00 2.15 H new ATOM 0 HD21 LEU A 24 0.270 -6.352 2.459 1.00 2.06 H new ATOM 0 HD22 LEU A 24 -1.036 -7.557 2.348 1.00 2.06 H new ATOM 0 HD23 LEU A 24 0.427 -7.915 3.296 1.00 2.06 H new ATOM 358 N GLU A 25 0.734 -12.354 1.037 1.00 1.24 N ATOM 359 CA GLU A 25 0.660 -13.763 0.696 1.00 1.25 C ATOM 360 C GLU A 25 -0.794 -14.123 0.415 1.00 2.02 C ATOM 361 O GLU A 25 -1.574 -14.363 1.335 1.00 2.74 O ATOM 362 CB GLU A 25 1.303 -14.695 1.735 1.00 1.77 C ATOM 363 CG GLU A 25 2.770 -14.330 2.010 1.00 1.39 C ATOM 364 CD GLU A 25 3.493 -15.368 2.872 1.00 2.20 C ATOM 365 OE1 GLU A 25 3.455 -16.563 2.501 1.00 3.19 O ATOM 366 OE2 GLU A 25 4.108 -14.951 3.880 1.00 2.92 O ATOM 0 H GLU A 25 0.841 -11.787 0.196 1.00 1.24 H new ATOM 0 HA GLU A 25 1.258 -13.921 -0.201 1.00 1.25 H new ATOM 0 HB2 GLU A 25 0.737 -14.645 2.665 1.00 1.77 H new ATOM 0 HB3 GLU A 25 1.246 -15.725 1.382 1.00 1.77 H new ATOM 0 HG2 GLU A 25 3.296 -14.224 1.061 1.00 1.39 H new ATOM 0 HG3 GLU A 25 2.810 -13.361 2.507 1.00 1.39 H new ATOM 373 N GLU A 26 -1.156 -14.189 -0.866 1.00 2.76 N ATOM 374 CA GLU A 26 -2.471 -14.650 -1.304 1.00 3.68 C ATOM 375 C GLU A 26 -3.522 -13.557 -1.109 1.00 3.94 C ATOM 376 O GLU A 26 -3.202 -12.369 -1.091 1.00 4.96 O ATOM 377 CB GLU A 26 -2.833 -16.003 -0.651 1.00 4.14 C ATOM 378 CG GLU A 26 -3.605 -16.899 -1.628 1.00 5.56 C ATOM 379 CD GLU A 26 -4.357 -18.011 -0.898 1.00 6.06 C ATOM 380 OE1 GLU A 26 -5.538 -17.759 -0.567 1.00 6.66 O ATOM 381 OE2 GLU A 26 -3.760 -19.093 -0.705 1.00 6.37 O ATOM 0 H GLU A 26 -0.540 -13.922 -1.634 1.00 2.76 H new ATOM 0 HA GLU A 26 -2.444 -14.845 -2.376 1.00 3.68 H new ATOM 0 HB2 GLU A 26 -1.923 -16.510 -0.329 1.00 4.14 H new ATOM 0 HB3 GLU A 26 -3.434 -15.830 0.242 1.00 4.14 H new ATOM 0 HG2 GLU A 26 -4.311 -16.294 -2.197 1.00 5.56 H new ATOM 0 HG3 GLU A 26 -2.912 -17.338 -2.345 1.00 5.56 H new ATOM 388 N GLY A 27 -4.800 -13.929 -1.024 1.00 3.61 N ATOM 389 CA GLY A 27 -5.897 -12.973 -0.969 1.00 4.24 C ATOM 390 C GLY A 27 -6.148 -12.496 0.458 1.00 3.07 C ATOM 391 O GLY A 27 -7.283 -12.520 0.924 1.00 3.11 O ATOM 0 H GLY A 27 -5.100 -14.903 -0.992 1.00 3.61 H new ATOM 0 HA2 GLY A 27 -5.669 -12.118 -1.605 1.00 4.24 H new ATOM 0 HA3 GLY A 27 -6.802 -13.433 -1.365 1.00 4.24 H new ATOM 395 N GLU A 28 -5.088 -12.065 1.140 1.00 2.28 N ATOM 396 CA GLU A 28 -5.176 -11.468 2.467 1.00 1.71 C ATOM 397 C GLU A 28 -5.824 -10.082 2.406 1.00 1.23 C ATOM 398 O GLU A 28 -6.206 -9.591 1.343 1.00 1.77 O ATOM 399 CB GLU A 28 -3.761 -11.363 3.059 1.00 1.98 C ATOM 400 CG GLU A 28 -3.339 -12.688 3.697 1.00 2.88 C ATOM 401 CD GLU A 28 -4.105 -12.895 5.005 1.00 3.98 C ATOM 402 OE1 GLU A 28 -3.731 -12.229 5.997 1.00 4.23 O ATOM 403 OE2 GLU A 28 -5.101 -13.651 4.981 1.00 5.20 O ATOM 0 H GLU A 28 -4.135 -12.122 0.781 1.00 2.28 H new ATOM 0 HA GLU A 28 -5.800 -12.099 3.100 1.00 1.71 H new ATOM 0 HB2 GLU A 28 -3.054 -11.090 2.276 1.00 1.98 H new ATOM 0 HB3 GLU A 28 -3.732 -10.569 3.806 1.00 1.98 H new ATOM 0 HG2 GLU A 28 -3.539 -13.513 3.013 1.00 2.88 H new ATOM 0 HG3 GLU A 28 -2.266 -12.685 3.889 1.00 2.88 H new ATOM 410 N ASP A 29 -5.924 -9.424 3.562 1.00 1.19 N ATOM 411 CA ASP A 29 -6.432 -8.066 3.665 1.00 1.79 C ATOM 412 C ASP A 29 -5.506 -7.087 2.943 1.00 1.49 C ATOM 413 O ASP A 29 -4.562 -6.536 3.514 1.00 1.44 O ATOM 414 CB ASP A 29 -6.626 -7.679 5.137 1.00 2.59 C ATOM 415 CG ASP A 29 -8.099 -7.701 5.518 1.00 3.16 C ATOM 416 OD1 ASP A 29 -8.804 -6.772 5.063 1.00 3.54 O ATOM 417 OD2 ASP A 29 -8.501 -8.617 6.264 1.00 4.11 O ATOM 0 H ASP A 29 -5.651 -9.827 4.458 1.00 1.19 H new ATOM 0 HA ASP A 29 -7.405 -8.017 3.176 1.00 1.79 H new ATOM 0 HB2 ASP A 29 -6.072 -8.368 5.774 1.00 2.59 H new ATOM 0 HB3 ASP A 29 -6.216 -6.684 5.312 1.00 2.59 H new ATOM 422 N VAL A 30 -5.796 -6.843 1.670 1.00 1.46 N ATOM 423 CA VAL A 30 -5.035 -5.944 0.820 1.00 1.26 C ATOM 424 C VAL A 30 -5.954 -4.862 0.275 1.00 1.32 C ATOM 425 O VAL A 30 -7.130 -5.106 0.007 1.00 1.69 O ATOM 426 CB VAL A 30 -4.320 -6.712 -0.305 1.00 1.36 C ATOM 427 CG1 VAL A 30 -3.345 -7.732 0.285 1.00 1.60 C ATOM 428 CG2 VAL A 30 -5.271 -7.433 -1.269 1.00 1.81 C ATOM 0 H VAL A 30 -6.586 -7.277 1.192 1.00 1.46 H new ATOM 0 HA VAL A 30 -4.255 -5.466 1.413 1.00 1.26 H new ATOM 0 HB VAL A 30 -3.790 -5.956 -0.884 1.00 1.36 H new ATOM 0 HG11 VAL A 30 -2.846 -8.268 -0.523 1.00 1.60 H new ATOM 0 HG12 VAL A 30 -2.601 -7.216 0.891 1.00 1.60 H new ATOM 0 HG13 VAL A 30 -3.892 -8.440 0.907 1.00 1.60 H new ATOM 0 HG21 VAL A 30 -4.691 -7.951 -2.033 1.00 1.81 H new ATOM 0 HG22 VAL A 30 -5.870 -8.156 -0.716 1.00 1.81 H new ATOM 0 HG23 VAL A 30 -5.929 -6.705 -1.744 1.00 1.81 H new ATOM 438 N ARG A 31 -5.415 -3.662 0.067 1.00 1.05 N ATOM 439 CA ARG A 31 -6.122 -2.604 -0.622 1.00 0.97 C ATOM 440 C ARG A 31 -5.114 -2.014 -1.586 1.00 0.91 C ATOM 441 O ARG A 31 -4.120 -1.424 -1.167 1.00 1.16 O ATOM 442 CB ARG A 31 -6.652 -1.550 0.367 1.00 0.95 C ATOM 443 CG ARG A 31 -8.109 -1.179 0.058 1.00 1.31 C ATOM 444 CD ARG A 31 -8.414 0.270 0.456 1.00 1.68 C ATOM 445 NE ARG A 31 -7.976 1.213 -0.588 1.00 2.30 N ATOM 446 CZ ARG A 31 -8.111 2.545 -0.531 1.00 3.49 C ATOM 447 NH1 ARG A 31 -7.789 3.287 -1.593 1.00 4.80 N ATOM 448 NH2 ARG A 31 -8.573 3.127 0.577 1.00 4.08 N ATOM 0 H ARG A 31 -4.477 -3.404 0.374 1.00 1.05 H new ATOM 0 HA ARG A 31 -7.002 -2.977 -1.146 1.00 0.97 H new ATOM 0 HB2 ARG A 31 -6.580 -1.934 1.385 1.00 0.95 H new ATOM 0 HB3 ARG A 31 -6.029 -0.657 0.319 1.00 0.95 H new ATOM 0 HG2 ARG A 31 -8.303 -1.314 -1.006 1.00 1.31 H new ATOM 0 HG3 ARG A 31 -8.779 -1.853 0.592 1.00 1.31 H new ATOM 0 HD2 ARG A 31 -9.484 0.385 0.628 1.00 1.68 H new ATOM 0 HD3 ARG A 31 -7.913 0.505 1.395 1.00 1.68 H new ATOM 0 HE ARG A 31 -7.535 0.821 -1.420 1.00 2.30 H new ATOM 0 HH11 ARG A 31 -7.442 2.840 -2.442 1.00 4.80 H new ATOM 0 HH12 ARG A 31 -7.890 4.301 -1.556 1.00 4.80 H new ATOM 0 HH21 ARG A 31 -8.825 2.558 1.385 1.00 4.08 H new ATOM 0 HH22 ARG A 31 -8.674 4.141 0.616 1.00 4.08 H new ATOM 462 N ARG A 32 -5.331 -2.192 -2.886 1.00 0.89 N ATOM 463 CA ARG A 32 -4.525 -1.453 -3.836 1.00 0.88 C ATOM 464 C ARG A 32 -5.008 -0.012 -3.817 1.00 0.94 C ATOM 465 O ARG A 32 -6.212 0.250 -3.796 1.00 1.31 O ATOM 466 CB ARG A 32 -4.548 -2.115 -5.218 1.00 1.01 C ATOM 467 CG ARG A 32 -5.918 -2.131 -5.908 1.00 1.53 C ATOM 468 CD ARG A 32 -6.127 -0.909 -6.805 1.00 1.49 C ATOM 469 NE ARG A 32 -7.471 -0.903 -7.398 1.00 2.10 N ATOM 470 CZ ARG A 32 -7.933 0.074 -8.187 1.00 2.52 C ATOM 471 NH1 ARG A 32 -9.184 0.024 -8.650 1.00 3.26 N ATOM 472 NH2 ARG A 32 -7.139 1.096 -8.505 1.00 2.88 N ATOM 0 H ARG A 32 -6.030 -2.816 -3.289 1.00 0.89 H new ATOM 0 HA ARG A 32 -3.471 -1.460 -3.559 1.00 0.88 H new ATOM 0 HB2 ARG A 32 -3.839 -1.597 -5.864 1.00 1.01 H new ATOM 0 HB3 ARG A 32 -4.197 -3.142 -5.118 1.00 1.01 H new ATOM 0 HG2 ARG A 32 -6.012 -3.038 -6.505 1.00 1.53 H new ATOM 0 HG3 ARG A 32 -6.703 -2.164 -5.153 1.00 1.53 H new ATOM 0 HD2 ARG A 32 -5.980 0.001 -6.223 1.00 1.49 H new ATOM 0 HD3 ARG A 32 -5.378 -0.905 -7.597 1.00 1.49 H new ATOM 0 HE ARG A 32 -8.088 -1.690 -7.196 1.00 2.10 H new ATOM 0 HH11 ARG A 32 -9.789 -0.759 -8.402 1.00 3.26 H new ATOM 0 HH12 ARG A 32 -9.535 0.769 -9.251 1.00 3.26 H new ATOM 0 HH21 ARG A 32 -6.184 1.131 -8.147 1.00 2.88 H new ATOM 0 HH22 ARG A 32 -7.486 1.844 -9.106 1.00 2.88 H new ATOM 486 N LEU A 33 -4.075 0.926 -3.788 1.00 0.80 N ATOM 487 CA LEU A 33 -4.353 2.324 -3.959 1.00 0.81 C ATOM 488 C LEU A 33 -4.626 2.593 -5.437 1.00 0.87 C ATOM 489 O LEU A 33 -4.253 1.794 -6.301 1.00 0.97 O ATOM 490 CB LEU A 33 -3.127 3.092 -3.440 1.00 0.85 C ATOM 491 CG LEU A 33 -2.996 3.080 -1.902 1.00 0.94 C ATOM 492 CD1 LEU A 33 -4.357 3.259 -1.211 1.00 2.80 C ATOM 493 CD2 LEU A 33 -2.319 1.829 -1.337 1.00 1.68 C ATOM 0 H LEU A 33 -3.086 0.722 -3.641 1.00 0.80 H new ATOM 0 HA LEU A 33 -5.234 2.647 -3.405 1.00 0.81 H new ATOM 0 HB2 LEU A 33 -2.226 2.660 -3.876 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -3.184 4.125 -3.783 1.00 0.85 H new ATOM 0 HG LEU A 33 -2.349 3.930 -1.684 1.00 0.94 H new ATOM 0 HD11 LEU A 33 -4.221 3.245 -0.130 1.00 2.80 H new ATOM 0 HD12 LEU A 33 -4.794 4.212 -1.509 1.00 2.80 H new ATOM 0 HD13 LEU A 33 -5.023 2.447 -1.503 1.00 2.80 H new ATOM 0 HD21 LEU A 33 -2.268 1.902 -0.251 1.00 1.68 H new ATOM 0 HD22 LEU A 33 -2.896 0.947 -1.614 1.00 1.68 H new ATOM 0 HD23 LEU A 33 -1.311 1.746 -1.743 1.00 1.68 H new ATOM 505 N PRO A 34 -5.259 3.728 -5.765 1.00 0.90 N ATOM 506 CA PRO A 34 -5.502 4.099 -7.145 1.00 1.00 C ATOM 507 C PRO A 34 -4.197 4.328 -7.907 1.00 1.02 C ATOM 508 O PRO A 34 -4.193 4.227 -9.130 1.00 1.23 O ATOM 509 CB PRO A 34 -6.382 5.351 -7.092 1.00 1.02 C ATOM 510 CG PRO A 34 -6.050 5.959 -5.733 1.00 0.93 C ATOM 511 CD PRO A 34 -5.807 4.726 -4.862 1.00 0.89 C ATOM 0 HA PRO A 34 -6.003 3.301 -7.693 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -6.153 6.038 -7.906 1.00 1.02 H new ATOM 0 HB3 PRO A 34 -7.440 5.102 -7.173 1.00 1.02 H new ATOM 0 HG2 PRO A 34 -5.170 6.601 -5.781 1.00 0.93 H new ATOM 0 HG3 PRO A 34 -6.869 6.569 -5.352 1.00 0.93 H new ATOM 0 HD2 PRO A 34 -5.114 4.947 -4.051 1.00 0.89 H new ATOM 0 HD3 PRO A 34 -6.733 4.378 -4.404 1.00 0.89 H new ATOM 519 N CYS A 35 -3.075 4.574 -7.220 1.00 0.85 N ATOM 520 CA CYS A 35 -1.816 4.903 -7.869 1.00 0.88 C ATOM 521 C CYS A 35 -0.997 3.622 -8.094 1.00 0.92 C ATOM 522 O CYS A 35 0.237 3.646 -7.994 1.00 0.97 O ATOM 523 CB CYS A 35 -1.093 5.931 -6.979 1.00 0.81 C ATOM 524 SG CYS A 35 -0.127 5.171 -5.634 1.00 1.34 S ATOM 0 H CYS A 35 -3.022 4.549 -6.202 1.00 0.85 H new ATOM 0 HA CYS A 35 -1.969 5.343 -8.854 1.00 0.88 H new ATOM 0 HB2 CYS A 35 -0.428 6.533 -7.598 1.00 0.81 H new ATOM 0 HB3 CYS A 35 -1.829 6.610 -6.549 1.00 0.81 H new ATOM 529 N MET A 36 -1.689 2.510 -8.353 1.00 1.02 N ATOM 530 CA MET A 36 -1.161 1.166 -8.524 1.00 1.10 C ATOM 531 C MET A 36 0.026 0.870 -7.611 1.00 0.98 C ATOM 532 O MET A 36 1.151 0.659 -8.056 1.00 1.17 O ATOM 533 CB MET A 36 -0.841 0.910 -10.002 1.00 1.35 C ATOM 534 CG MET A 36 -2.130 0.877 -10.829 1.00 1.72 C ATOM 535 SD MET A 36 -3.228 -0.524 -10.472 1.00 3.83 S ATOM 536 CE MET A 36 -2.287 -1.858 -11.265 1.00 4.46 C ATOM 0 H MET A 36 -2.704 2.533 -8.455 1.00 1.02 H new ATOM 0 HA MET A 36 -1.936 0.465 -8.215 1.00 1.10 H new ATOM 0 HB2 MET A 36 -0.180 1.691 -10.378 1.00 1.35 H new ATOM 0 HB3 MET A 36 -0.309 -0.036 -10.107 1.00 1.35 H new ATOM 0 HG2 MET A 36 -2.679 1.803 -10.658 1.00 1.72 H new ATOM 0 HG3 MET A 36 -1.866 0.853 -11.886 1.00 1.72 H new ATOM 0 HE1 MET A 36 -2.972 -2.524 -11.789 1.00 4.46 H new ATOM 0 HE2 MET A 36 -1.580 -1.431 -11.976 1.00 4.46 H new ATOM 0 HE3 MET A 36 -1.743 -2.421 -10.506 1.00 4.46 H new ATOM 546 N HIS A 37 -0.253 0.811 -6.314 1.00 0.80 N ATOM 547 CA HIS A 37 0.677 0.339 -5.308 1.00 0.82 C ATOM 548 C HIS A 37 -0.190 -0.396 -4.281 1.00 0.90 C ATOM 549 O HIS A 37 -1.157 0.186 -3.794 1.00 1.41 O ATOM 550 CB HIS A 37 1.440 1.544 -4.727 1.00 0.78 C ATOM 551 CG HIS A 37 2.664 1.945 -5.532 1.00 1.00 C ATOM 552 ND1 HIS A 37 2.812 3.033 -6.408 1.00 1.01 N ATOM 553 CD2 HIS A 37 3.851 1.264 -5.488 1.00 1.38 C ATOM 554 CE1 HIS A 37 4.066 2.962 -6.875 1.00 1.42 C ATOM 555 NE2 HIS A 37 4.718 1.915 -6.337 1.00 1.64 N ATOM 0 H HIS A 37 -1.153 1.097 -5.929 1.00 0.80 H new ATOM 0 HA HIS A 37 1.443 -0.337 -5.688 1.00 0.82 H new ATOM 0 HB2 HIS A 37 0.762 2.396 -4.667 1.00 0.78 H new ATOM 0 HB3 HIS A 37 1.748 1.309 -3.708 1.00 0.78 H new ATOM 0 HD2 HIS A 37 4.066 0.384 -4.900 1.00 1.38 H new ATOM 0 HE1 HIS A 37 4.495 3.652 -7.587 1.00 1.42 H new ATOM 0 HE2 HIS A 37 5.685 1.650 -6.525 1.00 1.64 H new ATOM 563 N LEU A 38 0.079 -1.679 -4.006 1.00 0.83 N ATOM 564 CA LEU A 38 -0.681 -2.471 -3.032 1.00 0.91 C ATOM 565 C LEU A 38 0.105 -2.594 -1.733 1.00 0.83 C ATOM 566 O LEU A 38 1.287 -2.916 -1.779 1.00 1.08 O ATOM 567 CB LEU A 38 -1.137 -3.835 -3.580 1.00 1.49 C ATOM 568 CG LEU A 38 -0.137 -4.985 -3.393 1.00 0.97 C ATOM 569 CD1 LEU A 38 -0.785 -6.298 -3.816 1.00 1.57 C ATOM 570 CD2 LEU A 38 1.103 -4.737 -4.236 1.00 1.82 C ATOM 0 H LEU A 38 0.833 -2.198 -4.455 1.00 0.83 H new ATOM 0 HA LEU A 38 -1.607 -1.935 -2.822 1.00 0.91 H new ATOM 0 HB2 LEU A 38 -2.074 -4.108 -3.095 1.00 1.49 H new ATOM 0 HB3 LEU A 38 -1.348 -3.728 -4.644 1.00 1.49 H new ATOM 0 HG LEU A 38 0.150 -5.041 -2.343 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -0.074 -7.114 -3.683 1.00 1.57 H new ATOM 0 HD12 LEU A 38 -1.668 -6.482 -3.204 1.00 1.57 H new ATOM 0 HD13 LEU A 38 -1.077 -6.238 -4.864 1.00 1.57 H new ATOM 0 HD21 LEU A 38 1.807 -5.557 -4.097 1.00 1.82 H new ATOM 0 HD22 LEU A 38 0.822 -4.674 -5.287 1.00 1.82 H new ATOM 0 HD23 LEU A 38 1.571 -3.802 -3.929 1.00 1.82 H new ATOM 582 N PHE A 39 -0.513 -2.344 -0.574 1.00 0.83 N ATOM 583 CA PHE A 39 0.265 -2.301 0.661 1.00 0.96 C ATOM 584 C PHE A 39 -0.540 -2.734 1.893 1.00 1.46 C ATOM 585 O PHE A 39 -0.726 -1.948 2.821 1.00 3.28 O ATOM 586 CB PHE A 39 0.828 -0.878 0.853 1.00 1.14 C ATOM 587 CG PHE A 39 1.954 -0.409 -0.057 1.00 1.23 C ATOM 588 CD1 PHE A 39 1.945 0.910 -0.554 1.00 1.61 C ATOM 589 CD2 PHE A 39 3.055 -1.240 -0.344 1.00 2.21 C ATOM 590 CE1 PHE A 39 3.018 1.388 -1.326 1.00 1.80 C ATOM 591 CE2 PHE A 39 4.115 -0.771 -1.136 1.00 2.59 C ATOM 592 CZ PHE A 39 4.103 0.546 -1.622 1.00 1.99 C ATOM 0 H PHE A 39 -1.513 -2.174 -0.468 1.00 0.83 H new ATOM 0 HA PHE A 39 1.079 -3.019 0.565 1.00 0.96 H new ATOM 0 HB2 PHE A 39 0.000 -0.177 0.743 1.00 1.14 H new ATOM 0 HB3 PHE A 39 1.179 -0.797 1.882 1.00 1.14 H new ATOM 0 HD1 PHE A 39 1.108 1.558 -0.340 1.00 1.61 H new ATOM 0 HD2 PHE A 39 3.084 -2.246 0.048 1.00 2.21 H new ATOM 0 HE1 PHE A 39 3.008 2.404 -1.692 1.00 1.80 H new ATOM 0 HE2 PHE A 39 4.942 -1.425 -1.372 1.00 2.59 H new ATOM 0 HZ PHE A 39 4.924 0.910 -2.221 1.00 1.99 H new ATOM 602 N HIS A 40 -0.963 -4.005 1.954 1.00 0.88 N ATOM 603 CA HIS A 40 -1.896 -4.477 2.989 1.00 0.72 C ATOM 604 C HIS A 40 -3.177 -3.636 2.892 1.00 0.67 C ATOM 605 O HIS A 40 -3.390 -2.957 1.889 1.00 1.60 O ATOM 606 CB HIS A 40 -1.229 -4.427 4.392 1.00 0.83 C ATOM 607 CG HIS A 40 -0.889 -5.738 5.065 1.00 0.96 C ATOM 608 ND1 HIS A 40 0.218 -5.955 5.897 1.00 1.23 N ATOM 609 CD2 HIS A 40 -1.646 -6.877 5.042 1.00 1.23 C ATOM 610 CE1 HIS A 40 0.114 -7.220 6.325 1.00 1.71 C ATOM 611 NE2 HIS A 40 -0.992 -7.802 5.825 1.00 1.72 N ATOM 0 H HIS A 40 -0.672 -4.728 1.296 1.00 0.88 H new ATOM 0 HA HIS A 40 -2.162 -5.522 2.831 1.00 0.72 H new ATOM 0 HB2 HIS A 40 -0.309 -3.849 4.304 1.00 0.83 H new ATOM 0 HB3 HIS A 40 -1.891 -3.873 5.057 1.00 0.83 H new ATOM 0 HD2 HIS A 40 -2.576 -7.023 4.513 1.00 1.23 H new ATOM 0 HE1 HIS A 40 0.821 -7.706 6.981 1.00 1.71 H new ATOM 0 HE2 HIS A 40 -1.293 -8.761 5.996 1.00 1.72 H new ATOM 619 N GLN A 41 -4.047 -3.691 3.898 1.00 0.95 N ATOM 620 CA GLN A 41 -5.224 -2.840 4.003 1.00 0.89 C ATOM 621 C GLN A 41 -5.063 -1.967 5.246 1.00 0.96 C ATOM 622 O GLN A 41 -4.915 -0.753 5.129 1.00 1.46 O ATOM 623 CB GLN A 41 -6.479 -3.725 3.984 1.00 0.97 C ATOM 624 CG GLN A 41 -7.797 -2.971 4.198 1.00 1.35 C ATOM 625 CD GLN A 41 -8.239 -3.002 5.658 1.00 2.50 C ATOM 626 OE1 GLN A 41 -8.076 -2.030 6.384 1.00 3.79 O ATOM 627 NE2 GLN A 41 -8.777 -4.119 6.124 1.00 3.01 N ATOM 0 H GLN A 41 -3.949 -4.342 4.677 1.00 0.95 H new ATOM 0 HA GLN A 41 -5.336 -2.159 3.160 1.00 0.89 H new ATOM 0 HB2 GLN A 41 -6.525 -4.246 3.028 1.00 0.97 H new ATOM 0 HB3 GLN A 41 -6.382 -4.487 4.758 1.00 0.97 H new ATOM 0 HG2 GLN A 41 -7.680 -1.936 3.876 1.00 1.35 H new ATOM 0 HG3 GLN A 41 -8.574 -3.413 3.574 1.00 1.35 H new ATOM 0 HE21 GLN A 41 -8.906 -4.920 5.505 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -9.063 -4.178 7.101 1.00 3.01 H new ATOM 636 N VAL A 42 -5.007 -2.589 6.424 1.00 0.84 N ATOM 637 CA VAL A 42 -4.860 -1.876 7.689 1.00 0.92 C ATOM 638 C VAL A 42 -3.620 -0.976 7.664 1.00 0.91 C ATOM 639 O VAL A 42 -3.683 0.169 8.101 1.00 1.07 O ATOM 640 CB VAL A 42 -4.819 -2.883 8.852 1.00 1.05 C ATOM 641 CG1 VAL A 42 -4.685 -2.178 10.207 1.00 1.13 C ATOM 642 CG2 VAL A 42 -6.095 -3.736 8.881 1.00 1.18 C ATOM 0 H VAL A 42 -5.063 -3.602 6.526 1.00 0.84 H new ATOM 0 HA VAL A 42 -5.721 -1.225 7.838 1.00 0.92 H new ATOM 0 HB VAL A 42 -3.947 -3.515 8.686 1.00 1.05 H new ATOM 0 HG11 VAL A 42 -4.659 -2.922 11.003 1.00 1.13 H new ATOM 0 HG12 VAL A 42 -3.764 -1.596 10.225 1.00 1.13 H new ATOM 0 HG13 VAL A 42 -5.536 -1.514 10.358 1.00 1.13 H new ATOM 0 HG21 VAL A 42 -6.043 -4.440 9.711 1.00 1.18 H new ATOM 0 HG22 VAL A 42 -6.963 -3.089 9.008 1.00 1.18 H new ATOM 0 HG23 VAL A 42 -6.187 -4.286 7.944 1.00 1.18 H new ATOM 652 N CYS A 43 -2.494 -1.482 7.148 1.00 0.86 N ATOM 653 CA CYS A 43 -1.242 -0.746 7.095 1.00 0.90 C ATOM 654 C CYS A 43 -1.437 0.570 6.324 1.00 0.71 C ATOM 655 O CYS A 43 -1.030 1.637 6.792 1.00 0.70 O ATOM 656 CB CYS A 43 -0.207 -1.608 6.368 1.00 1.08 C ATOM 657 SG CYS A 43 0.436 -3.001 7.360 1.00 1.42 S ATOM 0 H CYS A 43 -2.434 -2.421 6.755 1.00 0.86 H new ATOM 0 HA CYS A 43 -0.906 -0.516 8.106 1.00 0.90 H new ATOM 0 HB2 CYS A 43 -0.655 -2.002 5.456 1.00 1.08 H new ATOM 0 HB3 CYS A 43 0.628 -0.976 6.066 1.00 1.08 H new ATOM 662 N VAL A 44 -2.009 0.496 5.114 1.00 0.65 N ATOM 663 CA VAL A 44 -2.336 1.670 4.315 1.00 0.63 C ATOM 664 C VAL A 44 -3.035 2.694 5.199 1.00 0.72 C ATOM 665 O VAL A 44 -2.609 3.846 5.264 1.00 0.75 O ATOM 666 CB VAL A 44 -3.276 1.338 3.139 1.00 0.72 C ATOM 667 CG1 VAL A 44 -3.512 2.567 2.259 1.00 2.07 C ATOM 668 CG2 VAL A 44 -2.728 0.221 2.264 1.00 1.99 C ATOM 0 H VAL A 44 -2.256 -0.387 4.666 1.00 0.65 H new ATOM 0 HA VAL A 44 -1.401 2.056 3.910 1.00 0.63 H new ATOM 0 HB VAL A 44 -4.215 1.011 3.585 1.00 0.72 H new ATOM 0 HG11 VAL A 44 -4.178 2.304 1.438 1.00 2.07 H new ATOM 0 HG12 VAL A 44 -3.965 3.359 2.855 1.00 2.07 H new ATOM 0 HG13 VAL A 44 -2.560 2.915 1.857 1.00 2.07 H new ATOM 0 HG21 VAL A 44 -3.424 0.022 1.449 1.00 1.99 H new ATOM 0 HG22 VAL A 44 -1.764 0.521 1.853 1.00 1.99 H new ATOM 0 HG23 VAL A 44 -2.602 -0.681 2.862 1.00 1.99 H new ATOM 678 N ASP A 45 -4.089 2.263 5.899 1.00 0.77 N ATOM 679 CA ASP A 45 -4.913 3.123 6.743 1.00 0.90 C ATOM 680 C ASP A 45 -4.262 3.362 8.112 1.00 0.95 C ATOM 681 O ASP A 45 -4.917 3.414 9.149 1.00 1.09 O ATOM 682 CB ASP A 45 -6.313 2.510 6.875 1.00 1.02 C ATOM 683 CG ASP A 45 -7.326 3.527 7.403 1.00 1.75 C ATOM 684 OD1 ASP A 45 -7.187 4.712 7.023 1.00 2.74 O ATOM 685 OD2 ASP A 45 -8.267 3.099 8.107 1.00 2.67 O ATOM 0 H ASP A 45 -4.396 1.290 5.893 1.00 0.77 H new ATOM 0 HA ASP A 45 -5.002 4.102 6.273 1.00 0.90 H new ATOM 0 HB2 ASP A 45 -6.641 2.139 5.904 1.00 1.02 H new ATOM 0 HB3 ASP A 45 -6.273 1.653 7.547 1.00 1.02 H new ATOM 690 N GLN A 46 -2.941 3.537 8.116 1.00 0.90 N ATOM 691 CA GLN A 46 -2.150 3.902 9.267 1.00 1.00 C ATOM 692 C GLN A 46 -1.072 4.872 8.781 1.00 0.96 C ATOM 693 O GLN A 46 -1.019 6.019 9.217 1.00 1.09 O ATOM 694 CB GLN A 46 -1.592 2.628 9.915 1.00 1.08 C ATOM 695 CG GLN A 46 -0.910 2.914 11.253 1.00 1.36 C ATOM 696 CD GLN A 46 -0.513 1.612 11.941 1.00 1.53 C ATOM 697 OE1 GLN A 46 0.649 1.226 11.941 1.00 2.41 O ATOM 698 NE2 GLN A 46 -1.471 0.909 12.531 1.00 2.11 N ATOM 0 H GLN A 46 -2.378 3.420 7.274 1.00 0.90 H new ATOM 0 HA GLN A 46 -2.731 4.403 10.041 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -2.402 1.914 10.067 1.00 1.08 H new ATOM 0 HB3 GLN A 46 -0.878 2.160 9.237 1.00 1.08 H new ATOM 0 HG2 GLN A 46 -0.026 3.531 11.092 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -1.582 3.481 11.896 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -2.433 1.248 12.520 1.00 2.11 H new ATOM 0 HE22 GLN A 46 -1.246 0.030 12.996 1.00 2.11 H new ATOM 707 N ARG A 47 -0.220 4.447 7.842 1.00 0.88 N ATOM 708 CA ARG A 47 0.843 5.323 7.352 1.00 0.90 C ATOM 709 C ARG A 47 0.316 6.414 6.421 1.00 0.91 C ATOM 710 O ARG A 47 0.882 7.501 6.399 1.00 1.07 O ATOM 711 CB ARG A 47 1.953 4.494 6.717 1.00 0.93 C ATOM 712 CG ARG A 47 3.201 5.311 6.346 1.00 1.10 C ATOM 713 CD ARG A 47 4.286 4.352 5.842 1.00 1.44 C ATOM 714 NE ARG A 47 5.567 5.026 5.588 1.00 1.60 N ATOM 715 CZ ARG A 47 6.670 4.397 5.156 1.00 2.15 C ATOM 716 NH1 ARG A 47 7.831 5.048 5.088 1.00 2.46 N ATOM 717 NH2 ARG A 47 6.606 3.114 4.796 1.00 2.88 N ATOM 0 H ARG A 47 -0.245 3.521 7.415 1.00 0.88 H new ATOM 0 HA ARG A 47 1.267 5.853 8.205 1.00 0.90 H new ATOM 0 HB2 ARG A 47 2.241 3.700 7.406 1.00 0.93 H new ATOM 0 HB3 ARG A 47 1.566 4.012 5.820 1.00 0.93 H new ATOM 0 HG2 ARG A 47 2.958 6.044 5.577 1.00 1.10 H new ATOM 0 HG3 ARG A 47 3.560 5.866 7.213 1.00 1.10 H new ATOM 0 HD2 ARG A 47 4.436 3.561 6.577 1.00 1.44 H new ATOM 0 HD3 ARG A 47 3.944 3.873 4.924 1.00 1.44 H new ATOM 0 HE ARG A 47 5.620 6.032 5.750 1.00 1.60 H new ATOM 0 HH11 ARG A 47 7.883 6.028 5.365 1.00 2.46 H new ATOM 0 HH12 ARG A 47 8.667 4.566 4.759 1.00 2.46 H new ATOM 0 HH21 ARG A 47 5.719 2.613 4.849 1.00 2.88 H new ATOM 0 HH22 ARG A 47 7.444 2.634 4.467 1.00 2.88 H new ATOM 731 N LEU A 48 -0.745 6.154 5.653 1.00 0.82 N ATOM 732 CA LEU A 48 -1.334 7.161 4.772 1.00 0.85 C ATOM 733 C LEU A 48 -2.518 7.832 5.481 1.00 0.95 C ATOM 734 O LEU A 48 -3.476 8.245 4.838 1.00 1.31 O ATOM 735 CB LEU A 48 -1.781 6.541 3.431 1.00 0.82 C ATOM 736 CG LEU A 48 -0.680 6.019 2.491 1.00 0.79 C ATOM 737 CD1 LEU A 48 0.290 7.130 2.078 1.00 0.90 C ATOM 738 CD2 LEU A 48 0.116 4.842 3.061 1.00 0.86 C ATOM 0 H LEU A 48 -1.215 5.249 5.625 1.00 0.82 H new ATOM 0 HA LEU A 48 -0.577 7.912 4.547 1.00 0.85 H new ATOM 0 HB2 LEU A 48 -2.456 5.714 3.651 1.00 0.82 H new ATOM 0 HB3 LEU A 48 -2.359 7.290 2.890 1.00 0.82 H new ATOM 0 HG LEU A 48 -1.218 5.656 1.615 1.00 0.79 H new ATOM 0 HD11 LEU A 48 1.052 6.720 1.415 1.00 0.90 H new ATOM 0 HD12 LEU A 48 -0.258 7.917 1.559 1.00 0.90 H new ATOM 0 HD13 LEU A 48 0.767 7.545 2.966 1.00 0.90 H new ATOM 0 HD21 LEU A 48 0.872 4.531 2.340 1.00 0.86 H new ATOM 0 HD22 LEU A 48 0.602 5.146 3.988 1.00 0.86 H new ATOM 0 HD23 LEU A 48 -0.558 4.009 3.261 1.00 0.86 H new ATOM 750 N ILE A 49 -2.478 7.970 6.807 1.00 1.18 N ATOM 751 CA ILE A 49 -3.471 8.773 7.502 1.00 1.24 C ATOM 752 C ILE A 49 -3.131 10.241 7.247 1.00 1.19 C ATOM 753 O ILE A 49 -2.000 10.660 7.475 1.00 2.59 O ATOM 754 CB ILE A 49 -3.466 8.405 8.998 1.00 1.60 C ATOM 755 CG1 ILE A 49 -4.055 6.998 9.211 1.00 1.21 C ATOM 756 CG2 ILE A 49 -4.211 9.428 9.866 1.00 2.75 C ATOM 757 CD1 ILE A 49 -5.563 6.888 8.956 1.00 2.31 C ATOM 0 H ILE A 49 -1.776 7.540 7.410 1.00 1.18 H new ATOM 0 HA ILE A 49 -4.481 8.585 7.139 1.00 1.24 H new ATOM 0 HB ILE A 49 -2.424 8.415 9.318 1.00 1.60 H new ATOM 0 HG12 ILE A 49 -3.537 6.299 8.554 1.00 1.21 H new ATOM 0 HG13 ILE A 49 -3.850 6.684 10.235 1.00 1.21 H new ATOM 0 HG21 ILE A 49 -4.174 9.115 10.910 1.00 2.75 H new ATOM 0 HG22 ILE A 49 -3.739 10.405 9.763 1.00 2.75 H new ATOM 0 HG23 ILE A 49 -5.250 9.491 9.543 1.00 2.75 H new ATOM 0 HD11 ILE A 49 -5.888 5.862 9.131 1.00 2.31 H new ATOM 0 HD12 ILE A 49 -6.096 7.557 9.631 1.00 2.31 H new ATOM 0 HD13 ILE A 49 -5.779 7.166 7.924 1.00 2.31 H new ATOM 769 N THR A 50 -4.103 11.031 6.772 1.00 1.84 N ATOM 770 CA THR A 50 -3.978 12.457 6.450 1.00 2.24 C ATOM 771 C THR A 50 -3.239 12.693 5.127 1.00 2.10 C ATOM 772 O THR A 50 -3.714 13.463 4.286 1.00 3.26 O ATOM 773 CB THR A 50 -3.373 13.250 7.622 1.00 2.82 C ATOM 774 OG1 THR A 50 -4.128 12.984 8.782 1.00 3.24 O ATOM 775 CG2 THR A 50 -3.415 14.760 7.385 1.00 4.33 C ATOM 0 H THR A 50 -5.042 10.675 6.594 1.00 1.84 H new ATOM 0 HA THR A 50 -4.986 12.843 6.299 1.00 2.24 H new ATOM 0 HB THR A 50 -2.333 12.942 7.724 1.00 2.82 H new ATOM 0 HG1 THR A 50 -3.752 13.482 9.538 1.00 3.24 H new ATOM 0 HG21 THR A 50 -2.977 15.275 8.240 1.00 4.33 H new ATOM 0 HG22 THR A 50 -2.849 15.003 6.486 1.00 4.33 H new ATOM 0 HG23 THR A 50 -4.449 15.080 7.260 1.00 4.33 H new ATOM 783 N ASN A 51 -2.075 12.073 4.929 1.00 1.24 N ATOM 784 CA ASN A 51 -1.368 12.138 3.657 1.00 1.00 C ATOM 785 C ASN A 51 -2.143 11.327 2.617 1.00 0.82 C ATOM 786 O ASN A 51 -2.915 10.449 2.985 1.00 1.07 O ATOM 787 CB ASN A 51 0.056 11.595 3.825 1.00 1.05 C ATOM 788 CG ASN A 51 1.000 12.240 2.820 1.00 1.17 C ATOM 789 OD1 ASN A 51 0.654 12.427 1.659 1.00 1.35 O ATOM 790 ND2 ASN A 51 2.190 12.632 3.254 1.00 1.95 N ATOM 0 H ASN A 51 -1.602 11.517 5.641 1.00 1.24 H new ATOM 0 HA ASN A 51 -1.298 13.172 3.320 1.00 1.00 H new ATOM 0 HB2 ASN A 51 0.407 11.790 4.838 1.00 1.05 H new ATOM 0 HB3 ASN A 51 0.056 10.513 3.690 1.00 1.05 H new ATOM 0 HD21 ASN A 51 2.837 13.099 2.618 1.00 1.95 H new ATOM 0 HD22 ASN A 51 2.459 12.467 4.224 1.00 1.95 H new ATOM 797 N LYS A 52 -1.965 11.592 1.323 1.00 0.71 N ATOM 798 CA LYS A 52 -2.706 10.890 0.287 1.00 0.77 C ATOM 799 C LYS A 52 -2.044 11.131 -1.060 1.00 0.76 C ATOM 800 O LYS A 52 -2.707 11.587 -1.982 1.00 1.06 O ATOM 801 CB LYS A 52 -4.193 11.311 0.300 1.00 1.04 C ATOM 802 CG LYS A 52 -4.440 12.831 0.326 1.00 1.81 C ATOM 803 CD LYS A 52 -5.750 13.145 1.063 1.00 2.02 C ATOM 804 CE LYS A 52 -5.898 14.640 1.358 1.00 3.28 C ATOM 805 NZ LYS A 52 -4.891 15.110 2.334 1.00 3.99 N ATOM 0 H LYS A 52 -1.311 12.291 0.971 1.00 0.71 H new ATOM 0 HA LYS A 52 -2.686 9.818 0.481 1.00 0.77 H new ATOM 0 HB2 LYS A 52 -4.681 10.894 -0.581 1.00 1.04 H new ATOM 0 HB3 LYS A 52 -4.673 10.865 1.171 1.00 1.04 H new ATOM 0 HG2 LYS A 52 -3.608 13.333 0.819 1.00 1.81 H new ATOM 0 HG3 LYS A 52 -4.486 13.216 -0.693 1.00 1.81 H new ATOM 0 HD2 LYS A 52 -6.594 12.809 0.461 1.00 2.02 H new ATOM 0 HD3 LYS A 52 -5.783 12.586 1.998 1.00 2.02 H new ATOM 0 HE2 LYS A 52 -5.797 15.205 0.431 1.00 3.28 H new ATOM 0 HE3 LYS A 52 -6.898 14.837 1.744 1.00 3.28 H new ATOM 0 HZ1 LYS A 52 -5.300 15.868 2.917 1.00 3.99 H new ATOM 0 HZ2 LYS A 52 -4.605 14.319 2.946 1.00 3.99 H new ATOM 0 HZ3 LYS A 52 -4.059 15.473 1.827 1.00 3.99 H new ATOM 819 N LYS A 53 -0.766 10.768 -1.203 1.00 0.62 N ATOM 820 CA LYS A 53 -0.055 10.747 -2.484 1.00 0.76 C ATOM 821 C LYS A 53 0.960 9.611 -2.435 1.00 0.68 C ATOM 822 O LYS A 53 1.577 9.404 -1.392 1.00 0.71 O ATOM 823 CB LYS A 53 0.655 12.083 -2.772 1.00 1.01 C ATOM 824 CG LYS A 53 -0.400 13.121 -3.163 1.00 2.67 C ATOM 825 CD LYS A 53 0.034 14.169 -4.193 1.00 3.63 C ATOM 826 CE LYS A 53 -1.299 14.731 -4.693 1.00 5.37 C ATOM 827 NZ LYS A 53 -1.294 15.227 -6.078 1.00 6.53 N ATOM 0 H LYS A 53 -0.186 10.475 -0.417 1.00 0.62 H new ATOM 0 HA LYS A 53 -0.773 10.594 -3.289 1.00 0.76 H new ATOM 0 HB2 LYS A 53 1.206 12.416 -1.892 1.00 1.01 H new ATOM 0 HB3 LYS A 53 1.381 11.960 -3.576 1.00 1.01 H new ATOM 0 HG2 LYS A 53 -1.270 12.595 -3.555 1.00 2.67 H new ATOM 0 HG3 LYS A 53 -0.722 13.640 -2.260 1.00 2.67 H new ATOM 0 HD2 LYS A 53 0.656 14.943 -3.744 1.00 3.63 H new ATOM 0 HD3 LYS A 53 0.614 13.724 -5.002 1.00 3.63 H new ATOM 0 HE2 LYS A 53 -2.058 13.953 -4.606 1.00 5.37 H new ATOM 0 HE3 LYS A 53 -1.601 15.545 -4.034 1.00 5.37 H new ATOM 0 HZ1 LYS A 53 -2.256 15.171 -6.470 1.00 6.53 H new ATOM 0 HZ2 LYS A 53 -0.972 16.216 -6.091 1.00 6.53 H new ATOM 0 HZ3 LYS A 53 -0.651 14.646 -6.653 1.00 6.53 H new ATOM 841 N CYS A 54 1.141 8.889 -3.541 1.00 0.93 N ATOM 842 CA CYS A 54 2.322 8.050 -3.710 1.00 0.84 C ATOM 843 C CYS A 54 3.494 9.017 -3.947 1.00 0.78 C ATOM 844 O CYS A 54 3.294 10.029 -4.624 1.00 0.98 O ATOM 845 CB CYS A 54 2.216 7.237 -4.999 1.00 1.11 C ATOM 846 SG CYS A 54 1.206 5.718 -5.079 1.00 1.20 S ATOM 0 H CYS A 54 0.490 8.869 -4.326 1.00 0.93 H new ATOM 0 HA CYS A 54 2.436 7.393 -2.848 1.00 0.84 H new ATOM 0 HB2 CYS A 54 1.840 7.910 -5.770 1.00 1.11 H new ATOM 0 HB3 CYS A 54 3.231 6.960 -5.285 1.00 1.11 H new ATOM 851 N PRO A 55 4.719 8.682 -3.512 1.00 1.02 N ATOM 852 CA PRO A 55 5.894 9.499 -3.770 1.00 1.34 C ATOM 853 C PRO A 55 6.185 9.558 -5.267 1.00 1.56 C ATOM 854 O PRO A 55 6.058 10.615 -5.880 1.00 2.68 O ATOM 855 CB PRO A 55 7.022 8.879 -2.936 1.00 1.87 C ATOM 856 CG PRO A 55 6.596 7.423 -2.744 1.00 1.85 C ATOM 857 CD PRO A 55 5.068 7.489 -2.758 1.00 1.36 C ATOM 0 HA PRO A 55 5.761 10.541 -3.478 1.00 1.34 H new ATOM 0 HB2 PRO A 55 7.981 8.948 -3.450 1.00 1.87 H new ATOM 0 HB3 PRO A 55 7.136 9.389 -1.980 1.00 1.87 H new ATOM 0 HG2 PRO A 55 6.977 6.786 -3.542 1.00 1.85 H new ATOM 0 HG3 PRO A 55 6.971 7.016 -1.805 1.00 1.85 H new ATOM 0 HD2 PRO A 55 4.644 6.598 -3.222 1.00 1.36 H new ATOM 0 HD3 PRO A 55 4.672 7.540 -1.744 1.00 1.36 H new ATOM 865 N ILE A 56 6.546 8.431 -5.886 1.00 1.45 N ATOM 866 CA ILE A 56 6.844 8.409 -7.309 1.00 1.66 C ATOM 867 C ILE A 56 5.636 7.818 -8.027 1.00 1.75 C ATOM 868 O ILE A 56 5.615 6.647 -8.392 1.00 3.03 O ATOM 869 CB ILE A 56 8.170 7.676 -7.586 1.00 2.03 C ATOM 870 CG1 ILE A 56 9.345 8.339 -6.840 1.00 2.64 C ATOM 871 CG2 ILE A 56 8.477 7.628 -9.091 1.00 3.17 C ATOM 872 CD1 ILE A 56 9.598 9.804 -7.225 1.00 3.93 C ATOM 0 H ILE A 56 6.637 7.528 -5.421 1.00 1.45 H new ATOM 0 HA ILE A 56 7.006 9.414 -7.698 1.00 1.66 H new ATOM 0 HB ILE A 56 8.052 6.657 -7.218 1.00 2.03 H new ATOM 0 HG12 ILE A 56 9.155 8.286 -5.768 1.00 2.64 H new ATOM 0 HG13 ILE A 56 10.251 7.764 -7.032 1.00 2.64 H new ATOM 0 HG21 ILE A 56 9.419 7.104 -9.254 1.00 3.17 H new ATOM 0 HG22 ILE A 56 7.675 7.102 -9.609 1.00 3.17 H new ATOM 0 HG23 ILE A 56 8.555 8.644 -9.479 1.00 3.17 H new ATOM 0 HD11 ILE A 56 10.441 10.190 -6.653 1.00 3.93 H new ATOM 0 HD12 ILE A 56 9.823 9.867 -8.290 1.00 3.93 H new ATOM 0 HD13 ILE A 56 8.709 10.396 -7.006 1.00 3.93 H new ATOM 884 N CYS A 57 4.610 8.658 -8.161 1.00 1.18 N ATOM 885 CA CYS A 57 3.384 8.399 -8.919 1.00 1.23 C ATOM 886 C CYS A 57 2.654 9.747 -9.065 1.00 1.45 C ATOM 887 O CYS A 57 2.126 10.041 -10.132 1.00 2.42 O ATOM 888 CB CYS A 57 2.518 7.431 -8.102 1.00 1.08 C ATOM 889 SG CYS A 57 2.298 5.738 -8.696 1.00 1.69 S ATOM 0 H CYS A 57 4.610 9.580 -7.725 1.00 1.18 H new ATOM 0 HA CYS A 57 3.590 7.967 -9.898 1.00 1.23 H new ATOM 0 HB2 CYS A 57 2.943 7.376 -7.100 1.00 1.08 H new ATOM 0 HB3 CYS A 57 1.528 7.877 -8.005 1.00 1.08 H new ATOM 894 N ARG A 58 2.575 10.549 -7.985 1.00 1.08 N ATOM 895 CA ARG A 58 2.004 11.907 -7.953 1.00 1.15 C ATOM 896 C ARG A 58 0.485 11.879 -7.762 1.00 1.22 C ATOM 897 O ARG A 58 -0.109 12.901 -7.422 1.00 2.02 O ATOM 898 CB ARG A 58 2.370 12.721 -9.214 1.00 1.71 C ATOM 899 CG ARG A 58 2.340 14.240 -8.982 1.00 2.01 C ATOM 900 CD ARG A 58 2.269 14.976 -10.326 1.00 2.79 C ATOM 901 NE ARG A 58 2.377 16.436 -10.154 1.00 3.31 N ATOM 902 CZ ARG A 58 1.885 17.366 -10.986 1.00 4.37 C ATOM 903 NH1 ARG A 58 2.080 18.661 -10.729 1.00 4.89 N ATOM 904 NH2 ARG A 58 1.202 17.009 -12.075 1.00 5.15 N ATOM 0 H ARG A 58 2.923 10.254 -7.073 1.00 1.08 H new ATOM 0 HA ARG A 58 2.448 12.406 -7.092 1.00 1.15 H new ATOM 0 HB2 ARG A 58 3.365 12.431 -9.550 1.00 1.71 H new ATOM 0 HB3 ARG A 58 1.676 12.468 -10.016 1.00 1.71 H new ATOM 0 HG2 ARG A 58 1.480 14.505 -8.367 1.00 2.01 H new ATOM 0 HG3 ARG A 58 3.230 14.550 -8.435 1.00 2.01 H new ATOM 0 HD2 ARG A 58 3.071 14.626 -10.976 1.00 2.79 H new ATOM 0 HD3 ARG A 58 1.329 14.737 -10.823 1.00 2.79 H new ATOM 0 HE ARG A 58 2.871 16.770 -9.326 1.00 3.31 H new ATOM 0 HH11 ARG A 58 2.603 18.943 -9.900 1.00 4.89 H new ATOM 0 HH12 ARG A 58 1.706 19.368 -11.362 1.00 4.89 H new ATOM 0 HH21 ARG A 58 1.050 16.022 -12.281 1.00 5.15 H new ATOM 0 HH22 ARG A 58 0.832 17.723 -12.702 1.00 5.15 H new ATOM 918 N VAL A 59 -0.145 10.735 -8.010 1.00 1.20 N ATOM 919 CA VAL A 59 -1.580 10.552 -7.960 1.00 1.22 C ATOM 920 C VAL A 59 -2.022 10.594 -6.504 1.00 1.09 C ATOM 921 O VAL A 59 -1.346 10.059 -5.621 1.00 1.05 O ATOM 922 CB VAL A 59 -1.921 9.210 -8.629 1.00 1.25 C ATOM 923 CG1 VAL A 59 -3.375 8.775 -8.428 1.00 1.34 C ATOM 924 CG2 VAL A 59 -1.646 9.297 -10.135 1.00 1.52 C ATOM 0 H VAL A 59 0.355 9.882 -8.260 1.00 1.20 H new ATOM 0 HA VAL A 59 -2.107 11.342 -8.495 1.00 1.22 H new ATOM 0 HB VAL A 59 -1.287 8.465 -8.149 1.00 1.25 H new ATOM 0 HG11 VAL A 59 -3.542 7.821 -8.927 1.00 1.34 H new ATOM 0 HG12 VAL A 59 -3.579 8.667 -7.363 1.00 1.34 H new ATOM 0 HG13 VAL A 59 -4.041 9.527 -8.851 1.00 1.34 H new ATOM 0 HG21 VAL A 59 -1.889 8.344 -10.605 1.00 1.52 H new ATOM 0 HG22 VAL A 59 -2.260 10.084 -10.572 1.00 1.52 H new ATOM 0 HG23 VAL A 59 -0.593 9.525 -10.300 1.00 1.52 H new ATOM 934 N ASP A 60 -3.159 11.241 -6.268 1.00 1.09 N ATOM 935 CA ASP A 60 -3.792 11.300 -4.966 1.00 0.97 C ATOM 936 C ASP A 60 -4.413 9.937 -4.654 1.00 0.95 C ATOM 937 O ASP A 60 -5.090 9.335 -5.485 1.00 1.09 O ATOM 938 CB ASP A 60 -4.845 12.421 -4.943 1.00 1.07 C ATOM 939 CG ASP A 60 -4.216 13.797 -5.177 1.00 1.33 C ATOM 940 OD1 ASP A 60 -3.785 14.063 -6.325 1.00 2.43 O ATOM 941 OD2 ASP A 60 -4.042 14.549 -4.194 1.00 2.08 O ATOM 0 H ASP A 60 -3.671 11.746 -6.992 1.00 1.09 H new ATOM 0 HA ASP A 60 -3.053 11.529 -4.198 1.00 0.97 H new ATOM 0 HB2 ASP A 60 -5.596 12.230 -5.709 1.00 1.07 H new ATOM 0 HB3 ASP A 60 -5.361 12.416 -3.983 1.00 1.07 H new ATOM 946 N ILE A 61 -4.144 9.423 -3.457 1.00 0.83 N ATOM 947 CA ILE A 61 -4.467 8.068 -3.026 1.00 0.86 C ATOM 948 C ILE A 61 -5.905 7.963 -2.528 1.00 1.03 C ATOM 949 O ILE A 61 -6.476 6.872 -2.447 1.00 1.29 O ATOM 950 CB ILE A 61 -3.461 7.700 -1.925 1.00 0.69 C ATOM 951 CG1 ILE A 61 -2.021 7.863 -2.409 1.00 0.61 C ATOM 952 CG2 ILE A 61 -3.629 6.277 -1.429 1.00 0.80 C ATOM 953 CD1 ILE A 61 -1.793 7.215 -3.761 1.00 0.74 C ATOM 0 H ILE A 61 -3.675 9.964 -2.730 1.00 0.83 H new ATOM 0 HA ILE A 61 -4.393 7.373 -3.863 1.00 0.86 H new ATOM 0 HB ILE A 61 -3.666 8.388 -1.105 1.00 0.69 H new ATOM 0 HG12 ILE A 61 -1.779 8.924 -2.471 1.00 0.61 H new ATOM 0 HG13 ILE A 61 -1.342 7.423 -1.678 1.00 0.61 H new ATOM 0 HG21 ILE A 61 -2.892 6.073 -0.652 1.00 0.80 H new ATOM 0 HG22 ILE A 61 -4.631 6.150 -1.020 1.00 0.80 H new ATOM 0 HG23 ILE A 61 -3.485 5.583 -2.257 1.00 0.80 H new ATOM 0 HD11 ILE A 61 -0.755 7.358 -4.062 1.00 0.74 H new ATOM 0 HD12 ILE A 61 -2.008 6.149 -3.694 1.00 0.74 H new ATOM 0 HD13 ILE A 61 -2.451 7.673 -4.499 1.00 0.74 H new ATOM 965 N GLU A 62 -6.480 9.109 -2.192 1.00 0.99 N ATOM 966 CA GLU A 62 -7.823 9.269 -1.689 1.00 1.12 C ATOM 967 C GLU A 62 -8.453 10.360 -2.546 1.00 1.45 C ATOM 968 O GLU A 62 -7.750 11.260 -3.004 1.00 2.23 O ATOM 969 CB GLU A 62 -7.740 9.666 -0.212 1.00 2.06 C ATOM 970 CG GLU A 62 -9.119 9.840 0.429 1.00 2.27 C ATOM 971 CD GLU A 62 -8.980 10.436 1.827 1.00 3.44 C ATOM 972 OE1 GLU A 62 -8.703 11.657 1.895 1.00 3.96 O ATOM 973 OE2 GLU A 62 -9.152 9.669 2.798 1.00 4.61 O ATOM 0 H GLU A 62 -5.987 9.999 -2.270 1.00 0.99 H new ATOM 0 HA GLU A 62 -8.423 8.361 -1.745 1.00 1.12 H new ATOM 0 HB2 GLU A 62 -7.183 8.905 0.334 1.00 2.06 H new ATOM 0 HB3 GLU A 62 -7.181 10.597 -0.121 1.00 2.06 H new ATOM 0 HG2 GLU A 62 -9.737 10.489 -0.191 1.00 2.27 H new ATOM 0 HG3 GLU A 62 -9.626 8.877 0.485 1.00 2.27 H new ATOM 980 N ALA A 63 -9.763 10.286 -2.770 1.00 2.02 N ATOM 981 CA ALA A 63 -10.468 11.205 -3.644 1.00 3.06 C ATOM 982 C ALA A 63 -11.726 11.660 -2.918 1.00 3.57 C ATOM 983 O ALA A 63 -12.821 11.598 -3.470 1.00 4.42 O ATOM 984 CB ALA A 63 -10.768 10.505 -4.974 1.00 3.93 C ATOM 0 H ALA A 63 -10.364 9.580 -2.345 1.00 2.02 H new ATOM 0 HA ALA A 63 -9.871 12.086 -3.880 1.00 3.06 H new ATOM 0 HB1 ALA A 63 -11.298 11.191 -5.635 1.00 3.93 H new ATOM 0 HB2 ALA A 63 -9.833 10.199 -5.443 1.00 3.93 H new ATOM 0 HB3 ALA A 63 -11.387 9.627 -4.791 1.00 3.93 H new ATOM 990 N GLN A 64 -11.539 12.105 -1.669 1.00 3.70 N ATOM 991 CA GLN A 64 -12.601 12.428 -0.723 1.00 4.33 C ATOM 992 C GLN A 64 -13.205 11.115 -0.183 1.00 4.55 C ATOM 993 O GLN A 64 -12.986 10.048 -0.756 1.00 5.00 O ATOM 994 CB GLN A 64 -13.601 13.399 -1.395 1.00 5.39 C ATOM 995 CG GLN A 64 -14.225 14.454 -0.473 1.00 6.44 C ATOM 996 CD GLN A 64 -15.279 13.865 0.450 1.00 7.25 C ATOM 997 OE1 GLN A 64 -16.140 13.111 0.019 1.00 7.43 O ATOM 998 NE2 GLN A 64 -15.191 14.146 1.742 1.00 8.15 N ATOM 0 H GLN A 64 -10.608 12.254 -1.281 1.00 3.70 H new ATOM 0 HA GLN A 64 -12.231 12.960 0.153 1.00 4.33 H new ATOM 0 HB2 GLN A 64 -13.090 13.912 -2.210 1.00 5.39 H new ATOM 0 HB3 GLN A 64 -14.404 12.813 -1.842 1.00 5.39 H new ATOM 0 HG2 GLN A 64 -13.441 14.920 0.125 1.00 6.44 H new ATOM 0 HG3 GLN A 64 -14.675 15.241 -1.078 1.00 6.44 H new ATOM 0 HE21 GLN A 64 -14.464 14.778 2.078 1.00 8.15 H new ATOM 0 HE22 GLN A 64 -15.850 13.730 2.400 1.00 8.15 H new ATOM 1007 N LEU A 65 -13.923 11.163 0.945 1.00 5.03 N ATOM 1008 CA LEU A 65 -14.654 10.024 1.486 1.00 5.95 C ATOM 1009 C LEU A 65 -15.932 10.537 2.151 1.00 6.25 C ATOM 1010 O LEU A 65 -15.924 11.642 2.691 1.00 6.36 O ATOM 1011 CB LEU A 65 -13.798 9.209 2.478 1.00 6.78 C ATOM 1012 CG LEU A 65 -13.550 9.845 3.862 1.00 7.72 C ATOM 1013 CD1 LEU A 65 -13.150 8.750 4.853 1.00 8.86 C ATOM 1014 CD2 LEU A 65 -12.441 10.898 3.829 1.00 8.17 C ATOM 0 H LEU A 65 -14.010 12.007 1.511 1.00 5.03 H new ATOM 0 HA LEU A 65 -14.908 9.345 0.672 1.00 5.95 H new ATOM 0 HB2 LEU A 65 -14.279 8.242 2.629 1.00 6.78 H new ATOM 0 HB3 LEU A 65 -12.831 9.015 2.014 1.00 6.78 H new ATOM 0 HG LEU A 65 -14.474 10.337 4.165 1.00 7.72 H new ATOM 0 HD11 LEU A 65 -12.973 9.193 5.833 1.00 8.86 H new ATOM 0 HD12 LEU A 65 -13.952 8.015 4.926 1.00 8.86 H new ATOM 0 HD13 LEU A 65 -12.240 8.261 4.507 1.00 8.86 H new ATOM 0 HD21 LEU A 65 -12.306 11.315 4.827 1.00 8.17 H new ATOM 0 HD22 LEU A 65 -11.510 10.436 3.499 1.00 8.17 H new ATOM 0 HD23 LEU A 65 -12.716 11.694 3.137 1.00 8.17 H new ATOM 1026 N PRO A 66 -17.023 9.759 2.153 1.00 7.03 N ATOM 1027 CA PRO A 66 -18.284 10.180 2.740 1.00 7.77 C ATOM 1028 C PRO A 66 -18.206 10.145 4.270 1.00 7.99 C ATOM 1029 O PRO A 66 -18.657 9.196 4.904 1.00 8.68 O ATOM 1030 CB PRO A 66 -19.325 9.209 2.173 1.00 9.03 C ATOM 1031 CG PRO A 66 -18.518 7.929 1.956 1.00 9.20 C ATOM 1032 CD PRO A 66 -17.154 8.459 1.520 1.00 7.86 C ATOM 0 HA PRO A 66 -18.544 11.210 2.496 1.00 7.77 H new ATOM 0 HB2 PRO A 66 -20.151 9.053 2.867 1.00 9.03 H new ATOM 0 HB3 PRO A 66 -19.756 9.577 1.242 1.00 9.03 H new ATOM 0 HG2 PRO A 66 -18.449 7.335 2.867 1.00 9.20 H new ATOM 0 HG3 PRO A 66 -18.967 7.292 1.194 1.00 9.20 H new ATOM 0 HD2 PRO A 66 -16.354 7.788 1.832 1.00 7.86 H new ATOM 0 HD3 PRO A 66 -17.094 8.543 0.435 1.00 7.86 H new ATOM 1040 N SER A 67 -17.645 11.198 4.860 1.00 7.81 N ATOM 1041 CA SER A 67 -17.662 11.480 6.284 1.00 8.34 C ATOM 1042 C SER A 67 -17.480 12.993 6.410 1.00 8.32 C ATOM 1043 O SER A 67 -16.914 13.623 5.516 1.00 8.20 O ATOM 1044 CB SER A 67 -16.535 10.707 6.983 1.00 8.63 C ATOM 1045 OG SER A 67 -16.910 10.277 8.278 1.00 9.50 O ATOM 0 H SER A 67 -17.143 11.909 4.328 1.00 7.81 H new ATOM 0 HA SER A 67 -18.591 11.167 6.760 1.00 8.34 H new ATOM 0 HB2 SER A 67 -16.260 9.842 6.379 1.00 8.63 H new ATOM 0 HB3 SER A 67 -15.651 11.340 7.053 1.00 8.63 H new ATOM 0 HG SER A 67 -17.125 11.056 8.832 1.00 9.50 H new ATOM 1051 N GLU A 68 -17.953 13.590 7.499 1.00 8.90 N ATOM 1052 CA GLU A 68 -17.896 15.026 7.716 1.00 9.29 C ATOM 1053 C GLU A 68 -17.669 15.213 9.211 1.00 9.79 C ATOM 1054 O GLU A 68 -18.561 15.614 9.955 1.00 10.76 O ATOM 1055 CB GLU A 68 -19.154 15.712 7.153 1.00 9.90 C ATOM 1056 CG GLU A 68 -20.495 15.080 7.561 1.00 10.97 C ATOM 1057 CD GLU A 68 -21.648 15.711 6.778 1.00 11.87 C ATOM 1058 OE1 GLU A 68 -22.244 16.681 7.300 1.00 12.68 O ATOM 1059 OE2 GLU A 68 -21.917 15.221 5.658 1.00 12.12 O ATOM 0 H GLU A 68 -18.393 13.080 8.265 1.00 8.90 H new ATOM 0 HA GLU A 68 -17.080 15.510 7.179 1.00 9.29 H new ATOM 0 HB2 GLU A 68 -19.152 16.754 7.473 1.00 9.90 H new ATOM 0 HB3 GLU A 68 -19.089 15.713 6.065 1.00 9.90 H new ATOM 0 HG2 GLU A 68 -20.468 14.006 7.377 1.00 10.97 H new ATOM 0 HG3 GLU A 68 -20.657 15.216 8.630 1.00 10.97 H new ATOM 1066 N SER A 69 -16.464 14.821 9.642 1.00 9.43 N ATOM 1067 CA SER A 69 -16.259 14.145 10.922 1.00 10.09 C ATOM 1068 C SER A 69 -17.326 13.061 11.094 1.00 10.84 C ATOM 1069 O SER A 69 -17.584 12.387 10.066 1.00 10.92 O ATOM 1070 CB SER A 69 -16.094 15.116 12.105 1.00 10.65 C ATOM 1071 OG SER A 69 -16.803 16.327 11.945 1.00 11.12 O ATOM 1072 OXT SER A 69 -17.818 12.893 12.227 1.00 11.68 O ATOM 0 H SER A 69 -15.605 14.965 9.111 1.00 9.43 H new ATOM 0 HA SER A 69 -15.295 13.637 10.915 1.00 10.09 H new ATOM 0 HB2 SER A 69 -16.432 14.625 13.017 1.00 10.65 H new ATOM 0 HB3 SER A 69 -15.035 15.339 12.236 1.00 10.65 H new ATOM 0 HG SER A 69 -17.580 16.177 11.367 1.00 11.12 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 1.728 -4.566 6.468 1.00 1.15 ZN HETATM 1080 ZN ZN A 102 1.408 4.506 -7.012 1.00 0.81 ZN