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+ -174:sc= 0 (180deg=-0.00816) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.000925 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -106:sc= -0.0593! (180deg=-1.38!) USER MOD Single : A 18 THR OG1 : rot 43:sc= 0.59 USER MOD Single : A 22 SER OG : rot -72:sc= 0.584 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc=-4.03e-05 USER MOD Single : A 51 ASN : amide:sc= -0.0378 K(o=-0.038,f=-1.6) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc=-0.00111 (180deg=-0.12) USER MOD Single : A 53 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.199) USER MOD Single : A 64 GLN : amide:sc= -1.12 X(o=-1.1,f=-1.6) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.788 -28.578 8.572 1.00 16.09 N ATOM 2 CA MET A 1 21.208 -29.710 9.421 1.00 16.34 C ATOM 3 C MET A 1 22.659 -30.074 9.139 1.00 16.07 C ATOM 4 O MET A 1 23.525 -29.629 9.882 1.00 17.09 O ATOM 5 CB MET A 1 20.257 -30.910 9.316 1.00 16.33 C ATOM 6 CG MET A 1 19.019 -30.652 10.180 1.00 17.36 C ATOM 7 SD MET A 1 17.756 -31.945 10.101 1.00 17.84 S ATOM 8 CE MET A 1 16.828 -31.392 8.646 1.00 18.23 C ATOM 0 H1 MET A 1 19.832 -28.275 8.846 1.00 16.09 H new ATOM 0 H2 MET A 1 21.451 -27.786 8.696 1.00 16.09 H new ATOM 0 H3 MET A 1 20.785 -28.874 7.575 1.00 16.09 H new ATOM 0 HA MET A 1 21.147 -29.391 10.461 1.00 16.34 H new ATOM 0 HB2 MET A 1 19.964 -31.067 8.278 1.00 16.33 H new ATOM 0 HB3 MET A 1 20.762 -31.818 9.645 1.00 16.33 H new ATOM 0 HG2 MET A 1 19.335 -30.535 11.217 1.00 17.36 H new ATOM 0 HG3 MET A 1 18.571 -29.707 9.875 1.00 17.36 H new ATOM 0 HE1 MET A 1 16.006 -32.082 8.454 1.00 18.23 H new ATOM 0 HE2 MET A 1 16.429 -30.394 8.827 1.00 18.23 H new ATOM 0 HE3 MET A 1 17.490 -31.367 7.780 1.00 18.23 H new ATOM 20 N LYS A 2 22.963 -30.840 8.085 1.00 15.07 N ATOM 21 CA LYS A 2 24.300 -31.393 7.905 1.00 15.28 C ATOM 22 C LYS A 2 24.872 -30.886 6.583 1.00 14.52 C ATOM 23 O LYS A 2 25.044 -31.655 5.647 1.00 14.15 O ATOM 24 CB LYS A 2 24.228 -32.934 8.041 1.00 15.75 C ATOM 25 CG LYS A 2 25.238 -33.468 9.063 1.00 17.07 C ATOM 26 CD LYS A 2 26.666 -33.502 8.513 1.00 17.71 C ATOM 27 CE LYS A 2 27.632 -33.780 9.670 1.00 19.11 C ATOM 28 NZ LYS A 2 29.019 -33.989 9.201 1.00 19.89 N ATOM 0 H LYS A 2 22.301 -31.087 7.350 1.00 15.07 H new ATOM 0 HA LYS A 2 24.994 -31.059 8.676 1.00 15.28 H new ATOM 0 HB2 LYS A 2 23.221 -33.225 8.340 1.00 15.75 H new ATOM 0 HB3 LYS A 2 24.417 -33.393 7.071 1.00 15.75 H new ATOM 0 HG2 LYS A 2 25.211 -32.844 9.956 1.00 17.07 H new ATOM 0 HG3 LYS A 2 24.945 -34.473 9.367 1.00 17.07 H new ATOM 0 HD2 LYS A 2 26.759 -34.275 7.750 1.00 17.71 H new ATOM 0 HD3 LYS A 2 26.910 -32.552 8.037 1.00 17.71 H new ATOM 0 HE2 LYS A 2 27.609 -32.944 10.369 1.00 19.11 H new ATOM 0 HE3 LYS A 2 27.298 -34.662 10.216 1.00 19.11 H new ATOM 0 HZ1 LYS A 2 29.637 -34.174 10.017 1.00 19.89 H new ATOM 0 HZ2 LYS A 2 29.048 -34.802 8.554 1.00 19.89 H new ATOM 0 HZ3 LYS A 2 29.349 -33.138 8.702 1.00 19.89 H new ATOM 42 N GLN A 3 25.179 -29.583 6.532 1.00 14.56 N ATOM 43 CA GLN A 3 25.646 -28.906 5.322 1.00 14.01 C ATOM 44 C GLN A 3 24.627 -29.077 4.204 1.00 13.21 C ATOM 45 O GLN A 3 24.797 -29.824 3.248 1.00 13.38 O ATOM 46 CB GLN A 3 27.088 -29.346 4.998 1.00 14.68 C ATOM 47 CG GLN A 3 28.099 -28.197 5.121 1.00 15.21 C ATOM 48 CD GLN A 3 28.341 -27.513 3.780 1.00 15.13 C ATOM 49 OE1 GLN A 3 27.428 -26.956 3.187 1.00 14.77 O ATOM 50 NE2 GLN A 3 29.574 -27.542 3.283 1.00 15.86 N ATOM 0 H GLN A 3 25.108 -28.965 7.341 1.00 14.56 H new ATOM 0 HA GLN A 3 25.713 -27.828 5.469 1.00 14.01 H new ATOM 0 HB2 GLN A 3 27.377 -30.153 5.671 1.00 14.68 H new ATOM 0 HB3 GLN A 3 27.122 -29.748 3.985 1.00 14.68 H new ATOM 0 HG2 GLN A 3 27.733 -27.466 5.842 1.00 15.21 H new ATOM 0 HG3 GLN A 3 29.042 -28.582 5.509 1.00 15.21 H new ATOM 0 HE21 GLN A 3 30.320 -28.013 3.796 1.00 15.86 H new ATOM 0 HE22 GLN A 3 29.774 -27.093 2.389 1.00 15.86 H new ATOM 59 N ASP A 4 23.546 -28.321 4.370 1.00 12.61 N ATOM 60 CA ASP A 4 22.481 -28.168 3.409 1.00 11.97 C ATOM 61 C ASP A 4 21.958 -26.747 3.592 1.00 11.62 C ATOM 62 O ASP A 4 21.871 -26.274 4.729 1.00 12.24 O ATOM 63 CB ASP A 4 21.387 -29.198 3.689 1.00 11.98 C ATOM 64 CG ASP A 4 20.210 -28.996 2.746 1.00 11.75 C ATOM 65 OD1 ASP A 4 19.083 -29.314 3.184 1.00 12.19 O ATOM 66 OD2 ASP A 4 20.469 -28.516 1.622 1.00 11.50 O ATOM 0 H ASP A 4 23.390 -27.778 5.219 1.00 12.61 H new ATOM 0 HA ASP A 4 22.819 -28.328 2.385 1.00 11.97 H new ATOM 0 HB2 ASP A 4 21.788 -30.205 3.569 1.00 11.98 H new ATOM 0 HB3 ASP A 4 21.052 -29.109 4.722 1.00 11.98 H new ATOM 71 N GLY A 5 21.669 -26.069 2.488 1.00 10.87 N ATOM 72 CA GLY A 5 21.153 -24.710 2.452 1.00 10.47 C ATOM 73 C GLY A 5 20.393 -24.481 1.149 1.00 9.48 C ATOM 74 O GLY A 5 20.805 -24.971 0.101 1.00 9.45 O ATOM 0 H GLY A 5 21.793 -26.468 1.558 1.00 10.87 H new ATOM 0 HA2 GLY A 5 20.494 -24.539 3.303 1.00 10.47 H new ATOM 0 HA3 GLY A 5 21.973 -23.997 2.535 1.00 10.47 H new ATOM 78 N GLU A 6 19.298 -23.722 1.211 1.00 8.90 N ATOM 79 CA GLU A 6 18.422 -23.436 0.084 1.00 8.05 C ATOM 80 C GLU A 6 17.812 -22.050 0.320 1.00 7.78 C ATOM 81 O GLU A 6 18.097 -21.424 1.341 1.00 8.34 O ATOM 82 CB GLU A 6 17.340 -24.529 -0.021 1.00 7.71 C ATOM 83 CG GLU A 6 17.339 -25.146 -1.426 1.00 7.97 C ATOM 84 CD GLU A 6 16.292 -26.254 -1.590 1.00 8.13 C ATOM 85 OE1 GLU A 6 16.505 -27.110 -2.478 1.00 8.65 O ATOM 86 OE2 GLU A 6 15.279 -26.220 -0.855 1.00 8.19 O ATOM 0 H GLU A 6 18.991 -23.277 2.076 1.00 8.90 H new ATOM 0 HA GLU A 6 18.968 -23.435 -0.859 1.00 8.05 H new ATOM 0 HB2 GLU A 6 17.523 -25.304 0.723 1.00 7.71 H new ATOM 0 HB3 GLU A 6 16.361 -24.103 0.197 1.00 7.71 H new ATOM 0 HG2 GLU A 6 17.151 -24.363 -2.161 1.00 7.97 H new ATOM 0 HG3 GLU A 6 18.328 -25.553 -1.640 1.00 7.97 H new ATOM 93 N GLU A 7 16.966 -21.569 -0.593 1.00 7.14 N ATOM 94 CA GLU A 7 16.306 -20.273 -0.474 1.00 6.94 C ATOM 95 C GLU A 7 14.874 -20.422 -1.006 1.00 6.26 C ATOM 96 O GLU A 7 14.499 -21.502 -1.463 1.00 6.15 O ATOM 97 CB GLU A 7 17.093 -19.213 -1.265 1.00 7.11 C ATOM 98 CG GLU A 7 16.982 -17.808 -0.653 1.00 7.81 C ATOM 99 CD GLU A 7 18.168 -17.472 0.255 1.00 9.21 C ATOM 100 OE1 GLU A 7 19.270 -17.258 -0.299 1.00 9.83 O ATOM 101 OE2 GLU A 7 17.944 -17.399 1.483 1.00 10.03 O ATOM 0 H GLU A 7 16.719 -22.075 -1.443 1.00 7.14 H new ATOM 0 HA GLU A 7 16.272 -19.946 0.565 1.00 6.94 H new ATOM 0 HB2 GLU A 7 18.143 -19.504 -1.308 1.00 7.11 H new ATOM 0 HB3 GLU A 7 16.727 -19.187 -2.292 1.00 7.11 H new ATOM 0 HG2 GLU A 7 16.920 -17.070 -1.453 1.00 7.81 H new ATOM 0 HG3 GLU A 7 16.057 -17.736 -0.080 1.00 7.81 H new ATOM 108 N GLY A 8 14.072 -19.356 -0.967 1.00 6.06 N ATOM 109 CA GLY A 8 12.726 -19.356 -1.523 1.00 5.65 C ATOM 110 C GLY A 8 12.741 -18.813 -2.949 1.00 4.90 C ATOM 111 O GLY A 8 13.685 -19.038 -3.703 1.00 4.99 O ATOM 0 H GLY A 8 14.343 -18.467 -0.546 1.00 6.06 H new ATOM 0 HA2 GLY A 8 12.323 -20.369 -1.517 1.00 5.65 H new ATOM 0 HA3 GLY A 8 12.069 -18.747 -0.902 1.00 5.65 H new ATOM 115 N THR A 9 11.685 -18.102 -3.334 1.00 4.56 N ATOM 116 CA THR A 9 11.577 -17.498 -4.650 1.00 4.20 C ATOM 117 C THR A 9 10.644 -16.291 -4.548 1.00 3.93 C ATOM 118 O THR A 9 10.075 -16.056 -3.482 1.00 4.45 O ATOM 119 CB THR A 9 11.096 -18.550 -5.660 1.00 4.82 C ATOM 120 OG1 THR A 9 11.142 -18.027 -6.972 1.00 5.02 O ATOM 121 CG2 THR A 9 9.677 -19.033 -5.352 1.00 5.44 C ATOM 0 H THR A 9 10.878 -17.930 -2.735 1.00 4.56 H new ATOM 0 HA THR A 9 12.543 -17.143 -5.009 1.00 4.20 H new ATOM 0 HB THR A 9 11.768 -19.405 -5.580 1.00 4.82 H new ATOM 0 HG1 THR A 9 10.835 -18.708 -7.606 1.00 5.02 H new ATOM 0 HG21 THR A 9 9.377 -19.776 -6.091 1.00 5.44 H new ATOM 0 HG22 THR A 9 9.652 -19.479 -4.358 1.00 5.44 H new ATOM 0 HG23 THR A 9 8.989 -18.188 -5.387 1.00 5.44 H new ATOM 129 N GLU A 10 10.483 -15.574 -5.662 1.00 3.66 N ATOM 130 CA GLU A 10 9.662 -14.381 -5.831 1.00 3.56 C ATOM 131 C GLU A 10 10.373 -13.156 -5.256 1.00 2.86 C ATOM 132 O GLU A 10 10.841 -13.176 -4.121 1.00 3.66 O ATOM 133 CB GLU A 10 8.260 -14.569 -5.221 1.00 4.82 C ATOM 134 CG GLU A 10 7.218 -13.697 -5.928 1.00 5.29 C ATOM 135 CD GLU A 10 6.968 -14.205 -7.349 1.00 5.90 C ATOM 136 OE1 GLU A 10 7.743 -13.786 -8.238 1.00 5.93 O ATOM 137 OE2 GLU A 10 6.046 -15.033 -7.517 1.00 6.91 O ATOM 0 H GLU A 10 10.957 -15.832 -6.527 1.00 3.66 H new ATOM 0 HA GLU A 10 9.520 -14.214 -6.899 1.00 3.56 H new ATOM 0 HB2 GLU A 10 7.968 -15.617 -5.293 1.00 4.82 H new ATOM 0 HB3 GLU A 10 8.287 -14.318 -4.161 1.00 4.82 H new ATOM 0 HG2 GLU A 10 6.286 -13.705 -5.364 1.00 5.29 H new ATOM 0 HG3 GLU A 10 7.562 -12.663 -5.961 1.00 5.29 H new ATOM 144 N GLU A 11 10.470 -12.071 -6.030 1.00 2.23 N ATOM 145 CA GLU A 11 11.049 -10.835 -5.522 1.00 2.39 C ATOM 146 C GLU A 11 10.526 -9.666 -6.354 1.00 1.88 C ATOM 147 O GLU A 11 11.251 -9.075 -7.149 1.00 2.77 O ATOM 148 CB GLU A 11 12.589 -10.917 -5.531 1.00 3.54 C ATOM 149 CG GLU A 11 13.285 -9.709 -4.880 1.00 5.01 C ATOM 150 CD GLU A 11 12.848 -9.469 -3.433 1.00 4.71 C ATOM 151 OE1 GLU A 11 13.667 -9.707 -2.522 1.00 5.35 O ATOM 152 OE2 GLU A 11 11.699 -8.996 -3.252 1.00 4.64 O ATOM 0 H GLU A 11 10.157 -12.028 -7.000 1.00 2.23 H new ATOM 0 HA GLU A 11 10.751 -10.678 -4.485 1.00 2.39 H new ATOM 0 HB2 GLU A 11 12.897 -11.824 -5.011 1.00 3.54 H new ATOM 0 HB3 GLU A 11 12.932 -11.008 -6.562 1.00 3.54 H new ATOM 0 HG2 GLU A 11 14.364 -9.862 -4.906 1.00 5.01 H new ATOM 0 HG3 GLU A 11 13.075 -8.816 -5.469 1.00 5.01 H new ATOM 159 N ASP A 12 9.249 -9.322 -6.184 1.00 1.26 N ATOM 160 CA ASP A 12 8.673 -8.144 -6.821 1.00 1.46 C ATOM 161 C ASP A 12 7.627 -7.573 -5.868 1.00 1.35 C ATOM 162 O ASP A 12 7.243 -8.246 -4.909 1.00 2.66 O ATOM 163 CB ASP A 12 8.087 -8.497 -8.198 1.00 2.61 C ATOM 164 CG ASP A 12 8.175 -7.310 -9.162 1.00 3.43 C ATOM 165 OD1 ASP A 12 8.277 -7.558 -10.382 1.00 4.60 O ATOM 166 OD2 ASP A 12 8.164 -6.161 -8.662 1.00 3.69 O ATOM 0 H ASP A 12 8.593 -9.848 -5.606 1.00 1.26 H new ATOM 0 HA ASP A 12 9.437 -7.389 -7.010 1.00 1.46 H new ATOM 0 HB2 ASP A 12 8.624 -9.348 -8.616 1.00 2.61 H new ATOM 0 HB3 ASP A 12 7.046 -8.800 -8.086 1.00 2.61 H new ATOM 171 N THR A 13 7.172 -6.339 -6.075 1.00 1.35 N ATOM 172 CA THR A 13 6.118 -5.732 -5.278 1.00 1.13 C ATOM 173 C THR A 13 4.776 -6.203 -5.832 1.00 1.16 C ATOM 174 O THR A 13 3.970 -5.410 -6.303 1.00 1.28 O ATOM 175 CB THR A 13 6.284 -4.206 -5.291 1.00 1.50 C ATOM 176 OG1 THR A 13 7.615 -3.917 -4.911 1.00 1.97 O ATOM 177 CG2 THR A 13 5.357 -3.496 -4.299 1.00 2.50 C ATOM 0 H THR A 13 7.531 -5.729 -6.810 1.00 1.35 H new ATOM 0 HA THR A 13 6.171 -6.037 -4.233 1.00 1.13 H new ATOM 0 HB THR A 13 6.037 -3.853 -6.292 1.00 1.50 H new ATOM 0 HG1 THR A 13 7.752 -2.947 -4.912 1.00 1.97 H new ATOM 0 HG21 THR A 13 5.521 -2.420 -4.354 1.00 2.50 H new ATOM 0 HG22 THR A 13 4.319 -3.719 -4.547 1.00 2.50 H new ATOM 0 HG23 THR A 13 5.571 -3.844 -3.288 1.00 2.50 H new ATOM 185 N GLU A 14 4.552 -7.515 -5.762 1.00 1.24 N ATOM 186 CA GLU A 14 3.315 -8.148 -6.183 1.00 1.39 C ATOM 187 C GLU A 14 2.354 -8.194 -4.999 1.00 1.24 C ATOM 188 O GLU A 14 1.148 -8.054 -5.171 1.00 1.40 O ATOM 189 CB GLU A 14 3.634 -9.569 -6.663 1.00 1.63 C ATOM 190 CG GLU A 14 2.451 -10.263 -7.360 1.00 1.94 C ATOM 191 CD GLU A 14 2.219 -9.774 -8.796 1.00 2.94 C ATOM 192 OE1 GLU A 14 1.891 -10.629 -9.649 1.00 3.43 O ATOM 193 OE2 GLU A 14 2.359 -8.553 -9.029 1.00 4.11 O ATOM 0 H GLU A 14 5.242 -8.175 -5.403 1.00 1.24 H new ATOM 0 HA GLU A 14 2.852 -7.587 -6.994 1.00 1.39 H new ATOM 0 HB2 GLU A 14 4.478 -9.530 -7.351 1.00 1.63 H new ATOM 0 HB3 GLU A 14 3.946 -10.171 -5.809 1.00 1.63 H new ATOM 0 HG2 GLU A 14 2.627 -11.339 -7.374 1.00 1.94 H new ATOM 0 HG3 GLU A 14 1.546 -10.096 -6.776 1.00 1.94 H new ATOM 200 N GLU A 15 2.869 -8.404 -3.781 1.00 1.12 N ATOM 201 CA GLU A 15 1.982 -8.552 -2.631 1.00 0.97 C ATOM 202 C GLU A 15 2.781 -8.361 -1.333 1.00 0.86 C ATOM 203 O GLU A 15 2.676 -9.121 -0.369 1.00 0.93 O ATOM 204 CB GLU A 15 1.253 -9.913 -2.732 1.00 1.07 C ATOM 205 CG GLU A 15 -0.263 -9.715 -2.608 1.00 2.18 C ATOM 206 CD GLU A 15 -1.051 -10.934 -3.082 1.00 2.63 C ATOM 207 OE1 GLU A 15 -0.679 -12.053 -2.663 1.00 2.60 O ATOM 208 OE2 GLU A 15 -2.028 -10.727 -3.838 1.00 4.04 O ATOM 0 H GLU A 15 3.865 -8.473 -3.574 1.00 1.12 H new ATOM 0 HA GLU A 15 1.210 -7.783 -2.622 1.00 0.97 H new ATOM 0 HB2 GLU A 15 1.488 -10.389 -3.684 1.00 1.07 H new ATOM 0 HB3 GLU A 15 1.605 -10.581 -1.946 1.00 1.07 H new ATOM 0 HG2 GLU A 15 -0.515 -9.505 -1.569 1.00 2.18 H new ATOM 0 HG3 GLU A 15 -0.562 -8.844 -3.191 1.00 2.18 H new ATOM 215 N LYS A 16 3.614 -7.317 -1.309 1.00 0.76 N ATOM 216 CA LYS A 16 4.491 -7.028 -0.178 1.00 0.70 C ATOM 217 C LYS A 16 3.989 -5.759 0.503 1.00 0.62 C ATOM 218 O LYS A 16 3.890 -4.727 -0.155 1.00 0.71 O ATOM 219 CB LYS A 16 5.952 -6.914 -0.653 1.00 0.78 C ATOM 220 CG LYS A 16 6.352 -8.166 -1.454 1.00 0.93 C ATOM 221 CD LYS A 16 7.854 -8.339 -1.700 1.00 1.14 C ATOM 222 CE LYS A 16 8.409 -7.142 -2.457 1.00 1.29 C ATOM 223 NZ LYS A 16 9.799 -7.373 -2.904 1.00 1.65 N ATOM 0 H LYS A 16 3.697 -6.649 -2.076 1.00 0.76 H new ATOM 0 HA LYS A 16 4.470 -7.839 0.550 1.00 0.70 H new ATOM 0 HB2 LYS A 16 6.072 -6.024 -1.271 1.00 0.78 H new ATOM 0 HB3 LYS A 16 6.613 -6.797 0.206 1.00 0.78 H new ATOM 0 HG2 LYS A 16 5.984 -9.046 -0.927 1.00 0.93 H new ATOM 0 HG3 LYS A 16 5.845 -8.137 -2.418 1.00 0.93 H new ATOM 0 HD2 LYS A 16 8.374 -8.449 -0.749 1.00 1.14 H new ATOM 0 HD3 LYS A 16 8.033 -9.252 -2.268 1.00 1.14 H new ATOM 0 HE2 LYS A 16 7.779 -6.934 -3.322 1.00 1.29 H new ATOM 0 HE3 LYS A 16 8.374 -6.260 -1.818 1.00 1.29 H new ATOM 0 HZ1 LYS A 16 10.451 -6.819 -2.313 1.00 1.65 H new ATOM 0 HZ2 LYS A 16 10.028 -8.384 -2.818 1.00 1.65 H new ATOM 0 HZ3 LYS A 16 9.898 -7.079 -3.897 1.00 1.65 H new ATOM 237 N CYS A 17 3.646 -5.829 1.795 1.00 0.53 N ATOM 238 CA CYS A 17 3.192 -4.677 2.561 1.00 0.52 C ATOM 239 C CYS A 17 4.398 -3.754 2.708 1.00 0.63 C ATOM 240 O CYS A 17 5.305 -3.998 3.506 1.00 0.68 O ATOM 241 CB CYS A 17 2.694 -5.145 3.939 1.00 0.46 C ATOM 242 SG CYS A 17 1.968 -3.789 4.927 1.00 0.50 S ATOM 0 H CYS A 17 3.678 -6.694 2.335 1.00 0.53 H new ATOM 0 HA CYS A 17 2.369 -4.159 2.068 1.00 0.52 H new ATOM 0 HB2 CYS A 17 1.949 -5.929 3.804 1.00 0.46 H new ATOM 0 HB3 CYS A 17 3.525 -5.586 4.490 1.00 0.46 H new ATOM 247 N THR A 18 4.393 -2.645 1.976 1.00 0.78 N ATOM 248 CA THR A 18 5.496 -1.698 2.006 1.00 0.98 C ATOM 249 C THR A 18 5.308 -0.725 3.179 1.00 0.78 C ATOM 250 O THR A 18 5.992 0.300 3.269 1.00 0.90 O ATOM 251 CB THR A 18 5.567 -1.021 0.628 1.00 1.37 C ATOM 252 OG1 THR A 18 4.251 -0.750 0.193 1.00 1.59 O ATOM 253 CG2 THR A 18 6.249 -1.938 -0.390 1.00 1.36 C ATOM 0 H THR A 18 3.631 -2.381 1.352 1.00 0.78 H new ATOM 0 HA THR A 18 6.456 -2.184 2.182 1.00 0.98 H new ATOM 0 HB THR A 18 6.145 -0.101 0.711 1.00 1.37 H new ATOM 0 HG1 THR A 18 3.727 -0.390 0.939 1.00 1.59 H new ATOM 0 HG21 THR A 18 6.289 -1.440 -1.359 1.00 1.36 H new ATOM 0 HG22 THR A 18 7.262 -2.163 -0.056 1.00 1.36 H new ATOM 0 HG23 THR A 18 5.683 -2.865 -0.482 1.00 1.36 H new ATOM 261 N ILE A 19 4.402 -1.057 4.110 1.00 0.60 N ATOM 262 CA ILE A 19 4.100 -0.274 5.291 1.00 0.59 C ATOM 263 C ILE A 19 4.762 -0.910 6.501 1.00 0.68 C ATOM 264 O ILE A 19 5.662 -0.316 7.090 1.00 0.79 O ATOM 265 CB ILE A 19 2.596 -0.103 5.480 1.00 0.61 C ATOM 266 CG1 ILE A 19 2.027 0.353 4.132 1.00 0.66 C ATOM 267 CG2 ILE A 19 2.384 0.914 6.611 1.00 0.70 C ATOM 268 CD1 ILE A 19 0.699 1.056 4.251 1.00 0.87 C ATOM 0 H ILE A 19 3.846 -1.910 4.048 1.00 0.60 H new ATOM 0 HA ILE A 19 4.505 0.730 5.166 1.00 0.59 H new ATOM 0 HB ILE A 19 2.081 -1.019 5.769 1.00 0.61 H new ATOM 0 HG12 ILE A 19 2.742 1.021 3.651 1.00 0.66 H new ATOM 0 HG13 ILE A 19 1.914 -0.514 3.481 1.00 0.66 H new ATOM 0 HG21 ILE A 19 1.316 1.061 6.773 1.00 0.70 H new ATOM 0 HG22 ILE A 19 2.842 0.540 7.527 1.00 0.70 H new ATOM 0 HG23 ILE A 19 2.843 1.864 6.337 1.00 0.70 H new ATOM 0 HD11 ILE A 19 0.354 1.352 3.260 1.00 0.87 H new ATOM 0 HD12 ILE A 19 -0.030 0.383 4.703 1.00 0.87 H new ATOM 0 HD13 ILE A 19 0.811 1.942 4.876 1.00 0.87 H new ATOM 280 N CYS A 20 4.311 -2.122 6.841 1.00 0.74 N ATOM 281 CA CYS A 20 4.838 -2.926 7.931 1.00 0.95 C ATOM 282 C CYS A 20 6.102 -3.678 7.489 1.00 1.04 C ATOM 283 O CYS A 20 6.586 -4.533 8.227 1.00 1.30 O ATOM 284 CB CYS A 20 3.737 -3.899 8.397 1.00 1.13 C ATOM 285 SG CYS A 20 3.023 -4.876 7.034 1.00 1.53 S ATOM 0 H CYS A 20 3.545 -2.578 6.345 1.00 0.74 H new ATOM 0 HA CYS A 20 5.125 -2.284 8.763 1.00 0.95 H new ATOM 0 HB2 CYS A 20 4.151 -4.577 9.144 1.00 1.13 H new ATOM 0 HB3 CYS A 20 2.943 -3.333 8.885 1.00 1.13 H new ATOM 290 N LEU A 21 6.654 -3.352 6.311 1.00 0.99 N ATOM 291 CA LEU A 21 7.942 -3.834 5.822 1.00 1.16 C ATOM 292 C LEU A 21 8.021 -5.359 5.902 1.00 1.34 C ATOM 293 O LEU A 21 9.007 -5.919 6.375 1.00 1.69 O ATOM 294 CB LEU A 21 9.082 -3.133 6.586 1.00 1.30 C ATOM 295 CG LEU A 21 9.108 -1.609 6.378 1.00 1.48 C ATOM 296 CD1 LEU A 21 10.017 -0.954 7.422 1.00 1.77 C ATOM 297 CD2 LEU A 21 9.619 -1.245 4.980 1.00 2.00 C ATOM 0 H LEU A 21 6.194 -2.722 5.653 1.00 0.99 H new ATOM 0 HA LEU A 21 8.051 -3.581 4.767 1.00 1.16 H new ATOM 0 HB2 LEU A 21 8.981 -3.346 7.650 1.00 1.30 H new ATOM 0 HB3 LEU A 21 10.036 -3.553 6.266 1.00 1.30 H new ATOM 0 HG LEU A 21 8.087 -1.244 6.485 1.00 1.48 H new ATOM 0 HD11 LEU A 21 10.030 0.125 7.268 1.00 1.77 H new ATOM 0 HD12 LEU A 21 9.640 -1.173 8.421 1.00 1.77 H new ATOM 0 HD13 LEU A 21 11.029 -1.347 7.321 1.00 1.77 H new ATOM 0 HD21 LEU A 21 9.625 -0.161 4.866 1.00 2.00 H new ATOM 0 HD22 LEU A 21 10.631 -1.629 4.851 1.00 2.00 H new ATOM 0 HD23 LEU A 21 8.965 -1.686 4.227 1.00 2.00 H new ATOM 309 N SER A 22 6.981 -6.039 5.420 1.00 1.12 N ATOM 310 CA SER A 22 6.936 -7.492 5.403 1.00 1.30 C ATOM 311 C SER A 22 6.016 -7.956 4.278 1.00 0.95 C ATOM 312 O SER A 22 5.211 -7.185 3.761 1.00 0.72 O ATOM 313 CB SER A 22 6.494 -8.023 6.775 1.00 1.58 C ATOM 314 OG SER A 22 5.559 -7.165 7.398 1.00 1.50 O ATOM 0 H SER A 22 6.149 -5.594 5.032 1.00 1.12 H new ATOM 0 HA SER A 22 7.930 -7.896 5.210 1.00 1.30 H new ATOM 0 HB2 SER A 22 6.054 -9.013 6.656 1.00 1.58 H new ATOM 0 HB3 SER A 22 7.367 -8.137 7.418 1.00 1.58 H new ATOM 0 HG SER A 22 6.014 -6.354 7.707 1.00 1.50 H new ATOM 320 N ILE A 23 6.167 -9.205 3.847 1.00 1.01 N ATOM 321 CA ILE A 23 5.359 -9.767 2.785 1.00 0.87 C ATOM 322 C ILE A 23 4.130 -10.420 3.419 1.00 0.77 C ATOM 323 O ILE A 23 4.102 -10.659 4.625 1.00 0.92 O ATOM 324 CB ILE A 23 6.215 -10.725 1.939 1.00 1.20 C ATOM 325 CG1 ILE A 23 7.474 -10.011 1.405 1.00 1.58 C ATOM 326 CG2 ILE A 23 5.397 -11.174 0.721 1.00 1.21 C ATOM 327 CD1 ILE A 23 8.687 -9.945 2.339 1.00 1.16 C ATOM 0 H ILE A 23 6.856 -9.852 4.229 1.00 1.01 H new ATOM 0 HA ILE A 23 5.000 -9.003 2.095 1.00 0.87 H new ATOM 0 HB ILE A 23 6.506 -11.568 2.566 1.00 1.20 H new ATOM 0 HG12 ILE A 23 7.781 -10.509 0.486 1.00 1.58 H new ATOM 0 HG13 ILE A 23 7.197 -8.991 1.137 1.00 1.58 H new ATOM 0 HG21 ILE A 23 5.993 -11.854 0.113 1.00 1.21 H new ATOM 0 HG22 ILE A 23 4.494 -11.684 1.057 1.00 1.21 H new ATOM 0 HG23 ILE A 23 5.121 -10.303 0.127 1.00 1.21 H new ATOM 0 HD11 ILE A 23 9.501 -9.418 1.841 1.00 1.16 H new ATOM 0 HD12 ILE A 23 8.415 -9.414 3.251 1.00 1.16 H new ATOM 0 HD13 ILE A 23 9.009 -10.956 2.589 1.00 1.16 H new ATOM 339 N LEU A 24 3.092 -10.633 2.613 1.00 0.64 N ATOM 340 CA LEU A 24 1.794 -11.096 3.066 1.00 0.65 C ATOM 341 C LEU A 24 1.721 -12.620 2.973 1.00 0.78 C ATOM 342 O LEU A 24 1.866 -13.303 3.979 1.00 0.96 O ATOM 343 CB LEU A 24 0.730 -10.390 2.221 1.00 0.70 C ATOM 344 CG LEU A 24 0.809 -8.867 2.361 1.00 0.73 C ATOM 345 CD1 LEU A 24 -0.152 -8.288 1.340 1.00 1.13 C ATOM 346 CD2 LEU A 24 0.426 -8.422 3.764 1.00 0.91 C ATOM 0 H LEU A 24 3.137 -10.483 1.605 1.00 0.64 H new ATOM 0 HA LEU A 24 1.622 -10.850 4.114 1.00 0.65 H new ATOM 0 HB2 LEU A 24 0.856 -10.666 1.174 1.00 0.70 H new ATOM 0 HB3 LEU A 24 -0.260 -10.732 2.524 1.00 0.70 H new ATOM 0 HG LEU A 24 1.828 -8.519 2.189 1.00 0.73 H new ATOM 0 HD11 LEU A 24 -0.133 -7.200 1.399 1.00 1.13 H new ATOM 0 HD12 LEU A 24 0.147 -8.602 0.340 1.00 1.13 H new ATOM 0 HD13 LEU A 24 -1.161 -8.645 1.546 1.00 1.13 H new ATOM 0 HD21 LEU A 24 0.492 -7.336 3.832 1.00 0.91 H new ATOM 0 HD22 LEU A 24 -0.595 -8.738 3.980 1.00 0.91 H new ATOM 0 HD23 LEU A 24 1.106 -8.873 4.487 1.00 0.91 H new ATOM 358 N GLU A 25 1.526 -13.138 1.759 1.00 0.84 N ATOM 359 CA GLU A 25 1.639 -14.554 1.398 1.00 1.10 C ATOM 360 C GLU A 25 0.458 -15.373 1.908 1.00 1.33 C ATOM 361 O GLU A 25 0.567 -16.576 2.135 1.00 2.14 O ATOM 362 CB GLU A 25 2.971 -15.184 1.841 1.00 1.40 C ATOM 363 CG GLU A 25 4.184 -14.319 1.501 1.00 1.19 C ATOM 364 CD GLU A 25 5.522 -15.053 1.626 1.00 1.39 C ATOM 365 OE1 GLU A 25 6.434 -14.472 2.258 1.00 2.38 O ATOM 366 OE2 GLU A 25 5.633 -16.164 1.061 1.00 1.82 O ATOM 0 H GLU A 25 1.273 -12.554 0.962 1.00 0.84 H new ATOM 0 HA GLU A 25 1.621 -14.579 0.308 1.00 1.10 H new ATOM 0 HB2 GLU A 25 2.945 -15.356 2.917 1.00 1.40 H new ATOM 0 HB3 GLU A 25 3.082 -16.158 1.365 1.00 1.40 H new ATOM 0 HG2 GLU A 25 4.079 -13.946 0.482 1.00 1.19 H new ATOM 0 HG3 GLU A 25 4.194 -13.450 2.159 1.00 1.19 H new ATOM 373 N GLU A 26 -0.701 -14.737 2.030 1.00 1.50 N ATOM 374 CA GLU A 26 -1.941 -15.423 2.336 1.00 1.81 C ATOM 375 C GLU A 26 -3.060 -14.692 1.608 1.00 1.55 C ATOM 376 O GLU A 26 -2.778 -13.819 0.786 1.00 2.92 O ATOM 377 CB GLU A 26 -2.144 -15.517 3.859 1.00 3.05 C ATOM 378 CG GLU A 26 -2.392 -16.985 4.227 1.00 4.00 C ATOM 379 CD GLU A 26 -2.708 -17.176 5.710 1.00 5.23 C ATOM 380 OE1 GLU A 26 -3.916 -17.284 6.020 1.00 5.88 O ATOM 381 OE2 GLU A 26 -1.748 -17.254 6.507 1.00 5.99 O ATOM 0 H GLU A 26 -0.803 -13.728 1.918 1.00 1.50 H new ATOM 0 HA GLU A 26 -1.927 -16.456 1.989 1.00 1.81 H new ATOM 0 HB2 GLU A 26 -1.266 -15.138 4.382 1.00 3.05 H new ATOM 0 HB3 GLU A 26 -2.989 -14.901 4.167 1.00 3.05 H new ATOM 0 HG2 GLU A 26 -3.219 -17.370 3.631 1.00 4.00 H new ATOM 0 HG3 GLU A 26 -1.512 -17.574 3.968 1.00 4.00 H new ATOM 388 N GLY A 27 -4.322 -15.015 1.888 1.00 1.59 N ATOM 389 CA GLY A 27 -5.440 -14.319 1.269 1.00 2.29 C ATOM 390 C GLY A 27 -5.709 -13.003 1.988 1.00 1.85 C ATOM 391 O GLY A 27 -6.837 -12.753 2.404 1.00 2.03 O ATOM 0 H GLY A 27 -4.591 -15.753 2.538 1.00 1.59 H new ATOM 0 HA2 GLY A 27 -5.222 -14.129 0.218 1.00 2.29 H new ATOM 0 HA3 GLY A 27 -6.330 -14.947 1.301 1.00 2.29 H new ATOM 395 N GLU A 28 -4.681 -12.171 2.157 1.00 1.50 N ATOM 396 CA GLU A 28 -4.831 -10.904 2.851 1.00 1.41 C ATOM 397 C GLU A 28 -5.596 -9.913 1.978 1.00 1.21 C ATOM 398 O GLU A 28 -5.457 -9.896 0.754 1.00 1.37 O ATOM 399 CB GLU A 28 -3.449 -10.337 3.192 1.00 1.73 C ATOM 400 CG GLU A 28 -2.746 -11.182 4.260 1.00 2.23 C ATOM 401 CD GLU A 28 -3.490 -11.088 5.590 1.00 3.22 C ATOM 402 OE1 GLU A 28 -4.196 -12.057 5.935 1.00 4.32 O ATOM 403 OE2 GLU A 28 -3.369 -10.017 6.227 1.00 3.82 O ATOM 0 H GLU A 28 -3.736 -12.357 1.820 1.00 1.50 H new ATOM 0 HA GLU A 28 -5.392 -11.068 3.771 1.00 1.41 H new ATOM 0 HB2 GLU A 28 -2.836 -10.302 2.291 1.00 1.73 H new ATOM 0 HB3 GLU A 28 -3.552 -9.312 3.547 1.00 1.73 H new ATOM 0 HG2 GLU A 28 -2.698 -12.222 3.936 1.00 2.23 H new ATOM 0 HG3 GLU A 28 -1.719 -10.839 4.386 1.00 2.23 H new ATOM 410 N ASP A 29 -6.375 -9.040 2.616 1.00 1.18 N ATOM 411 CA ASP A 29 -7.103 -7.990 1.923 1.00 1.17 C ATOM 412 C ASP A 29 -6.098 -6.942 1.442 1.00 1.03 C ATOM 413 O ASP A 29 -5.775 -5.997 2.163 1.00 1.54 O ATOM 414 CB ASP A 29 -8.142 -7.343 2.851 1.00 1.34 C ATOM 415 CG ASP A 29 -9.293 -8.279 3.203 1.00 1.91 C ATOM 416 OD1 ASP A 29 -10.028 -8.656 2.264 1.00 2.71 O ATOM 417 OD2 ASP A 29 -9.426 -8.582 4.410 1.00 2.85 O ATOM 0 H ASP A 29 -6.516 -9.045 3.626 1.00 1.18 H new ATOM 0 HA ASP A 29 -7.637 -8.416 1.073 1.00 1.17 H new ATOM 0 HB2 ASP A 29 -7.650 -7.020 3.769 1.00 1.34 H new ATOM 0 HB3 ASP A 29 -8.542 -6.449 2.372 1.00 1.34 H new ATOM 422 N VAL A 30 -5.565 -7.099 0.232 1.00 0.72 N ATOM 423 CA VAL A 30 -4.673 -6.098 -0.335 1.00 0.70 C ATOM 424 C VAL A 30 -5.495 -4.969 -0.946 1.00 0.66 C ATOM 425 O VAL A 30 -6.241 -5.176 -1.901 1.00 1.09 O ATOM 426 CB VAL A 30 -3.687 -6.731 -1.330 1.00 0.90 C ATOM 427 CG1 VAL A 30 -2.835 -7.748 -0.573 1.00 1.24 C ATOM 428 CG2 VAL A 30 -4.308 -7.430 -2.547 1.00 1.30 C ATOM 0 H VAL A 30 -5.736 -7.905 -0.369 1.00 0.72 H new ATOM 0 HA VAL A 30 -4.060 -5.667 0.456 1.00 0.70 H new ATOM 0 HB VAL A 30 -3.114 -5.899 -1.740 1.00 0.90 H new ATOM 0 HG11 VAL A 30 -2.126 -8.211 -1.259 1.00 1.24 H new ATOM 0 HG12 VAL A 30 -2.290 -7.244 0.225 1.00 1.24 H new ATOM 0 HG13 VAL A 30 -3.480 -8.515 -0.144 1.00 1.24 H new ATOM 0 HG21 VAL A 30 -3.516 -7.837 -3.176 1.00 1.30 H new ATOM 0 HG22 VAL A 30 -4.956 -8.239 -2.210 1.00 1.30 H new ATOM 0 HG23 VAL A 30 -4.893 -6.711 -3.120 1.00 1.30 H new ATOM 438 N ARG A 31 -5.362 -3.747 -0.422 1.00 0.72 N ATOM 439 CA ARG A 31 -6.077 -2.609 -0.976 1.00 0.73 C ATOM 440 C ARG A 31 -5.072 -1.732 -1.704 1.00 0.81 C ATOM 441 O ARG A 31 -4.550 -0.764 -1.159 1.00 1.41 O ATOM 442 CB ARG A 31 -6.877 -1.882 0.114 1.00 0.88 C ATOM 443 CG ARG A 31 -7.923 -0.979 -0.553 1.00 0.94 C ATOM 444 CD ARG A 31 -8.931 -0.432 0.463 1.00 1.76 C ATOM 445 NE ARG A 31 -10.176 -0.025 -0.208 1.00 2.15 N ATOM 446 CZ ARG A 31 -11.290 0.391 0.409 1.00 2.91 C ATOM 447 NH1 ARG A 31 -12.401 0.602 -0.299 1.00 3.57 N ATOM 448 NH2 ARG A 31 -11.290 0.590 1.726 1.00 3.73 N ATOM 0 H ARG A 31 -4.769 -3.528 0.379 1.00 0.72 H new ATOM 0 HA ARG A 31 -6.826 -2.926 -1.701 1.00 0.73 H new ATOM 0 HB2 ARG A 31 -7.365 -2.605 0.768 1.00 0.88 H new ATOM 0 HB3 ARG A 31 -6.209 -1.288 0.738 1.00 0.88 H new ATOM 0 HG2 ARG A 31 -7.422 -0.149 -1.052 1.00 0.94 H new ATOM 0 HG3 ARG A 31 -8.451 -1.541 -1.323 1.00 0.94 H new ATOM 0 HD2 ARG A 31 -9.148 -1.192 1.213 1.00 1.76 H new ATOM 0 HD3 ARG A 31 -8.500 0.420 0.988 1.00 1.76 H new ATOM 0 HE ARG A 31 -10.192 -0.063 -1.227 1.00 2.15 H new ATOM 0 HH11 ARG A 31 -12.401 0.447 -1.307 1.00 3.57 H new ATOM 0 HH12 ARG A 31 -13.251 0.919 0.168 1.00 3.57 H new ATOM 0 HH21 ARG A 31 -10.441 0.426 2.267 1.00 3.73 H new ATOM 0 HH22 ARG A 31 -12.139 0.907 2.194 1.00 3.73 H new ATOM 462 N ARG A 32 -4.770 -2.102 -2.948 1.00 0.79 N ATOM 463 CA ARG A 32 -3.904 -1.295 -3.794 1.00 0.81 C ATOM 464 C ARG A 32 -4.627 0.005 -4.146 1.00 0.70 C ATOM 465 O ARG A 32 -5.853 0.051 -4.182 1.00 1.10 O ATOM 466 CB ARG A 32 -3.471 -2.102 -5.027 1.00 1.10 C ATOM 467 CG ARG A 32 -4.613 -2.367 -6.020 1.00 1.35 C ATOM 468 CD ARG A 32 -4.608 -1.337 -7.157 1.00 1.30 C ATOM 469 NE ARG A 32 -5.848 -1.391 -7.946 1.00 1.49 N ATOM 470 CZ ARG A 32 -6.182 -2.335 -8.837 1.00 2.18 C ATOM 471 NH1 ARG A 32 -7.352 -2.264 -9.474 1.00 2.29 N ATOM 472 NH2 ARG A 32 -5.353 -3.348 -9.092 1.00 3.77 N ATOM 0 H ARG A 32 -5.114 -2.955 -3.388 1.00 0.79 H new ATOM 0 HA ARG A 32 -2.988 -1.027 -3.268 1.00 0.81 H new ATOM 0 HB2 ARG A 32 -2.672 -1.566 -5.539 1.00 1.10 H new ATOM 0 HB3 ARG A 32 -3.057 -3.056 -4.700 1.00 1.10 H new ATOM 0 HG2 ARG A 32 -4.513 -3.370 -6.434 1.00 1.35 H new ATOM 0 HG3 ARG A 32 -5.569 -2.331 -5.497 1.00 1.35 H new ATOM 0 HD2 ARG A 32 -4.484 -0.337 -6.741 1.00 1.30 H new ATOM 0 HD3 ARG A 32 -3.754 -1.519 -7.809 1.00 1.30 H new ATOM 0 HE ARG A 32 -6.519 -0.637 -7.801 1.00 1.49 H new ATOM 0 HH11 ARG A 32 -7.991 -1.492 -9.283 1.00 2.29 H new ATOM 0 HH12 ARG A 32 -7.608 -2.982 -10.152 1.00 2.29 H new ATOM 0 HH21 ARG A 32 -4.457 -3.408 -8.608 1.00 3.77 H new ATOM 0 HH22 ARG A 32 -5.615 -4.062 -9.771 1.00 3.77 H new ATOM 486 N LEU A 33 -3.857 1.051 -4.438 1.00 0.58 N ATOM 487 CA LEU A 33 -4.318 2.404 -4.677 1.00 0.64 C ATOM 488 C LEU A 33 -4.063 2.732 -6.150 1.00 0.73 C ATOM 489 O LEU A 33 -3.384 1.961 -6.831 1.00 0.84 O ATOM 490 CB LEU A 33 -3.567 3.381 -3.757 1.00 0.78 C ATOM 491 CG LEU A 33 -2.701 2.780 -2.639 1.00 0.73 C ATOM 492 CD1 LEU A 33 -1.668 3.792 -2.139 1.00 1.73 C ATOM 493 CD2 LEU A 33 -3.609 2.300 -1.504 1.00 1.49 C ATOM 0 H LEU A 33 -2.844 0.966 -4.517 1.00 0.58 H new ATOM 0 HA LEU A 33 -5.382 2.496 -4.459 1.00 0.64 H new ATOM 0 HB2 LEU A 33 -2.926 4.005 -4.380 1.00 0.78 H new ATOM 0 HB3 LEU A 33 -4.302 4.041 -3.295 1.00 0.78 H new ATOM 0 HG LEU A 33 -2.146 1.928 -3.032 1.00 0.73 H new ATOM 0 HD11 LEU A 33 -1.069 3.340 -1.348 1.00 1.73 H new ATOM 0 HD12 LEU A 33 -1.018 4.086 -2.963 1.00 1.73 H new ATOM 0 HD13 LEU A 33 -2.180 4.672 -1.749 1.00 1.73 H new ATOM 0 HD21 LEU A 33 -3.000 1.872 -0.707 1.00 1.49 H new ATOM 0 HD22 LEU A 33 -4.179 3.143 -1.113 1.00 1.49 H new ATOM 0 HD23 LEU A 33 -4.295 1.543 -1.883 1.00 1.49 H new ATOM 505 N PRO A 34 -4.523 3.890 -6.650 1.00 0.88 N ATOM 506 CA PRO A 34 -4.348 4.251 -8.049 1.00 1.15 C ATOM 507 C PRO A 34 -2.883 4.513 -8.413 1.00 1.20 C ATOM 508 O PRO A 34 -2.575 4.631 -9.594 1.00 1.42 O ATOM 509 CB PRO A 34 -5.225 5.488 -8.265 1.00 1.31 C ATOM 510 CG PRO A 34 -5.270 6.134 -6.883 1.00 1.14 C ATOM 511 CD PRO A 34 -5.254 4.931 -5.942 1.00 0.92 C ATOM 0 HA PRO A 34 -4.644 3.431 -8.703 1.00 1.15 H new ATOM 0 HB2 PRO A 34 -4.797 6.160 -9.009 1.00 1.31 H new ATOM 0 HB3 PRO A 34 -6.221 5.218 -8.615 1.00 1.31 H new ATOM 0 HG2 PRO A 34 -4.415 6.789 -6.715 1.00 1.14 H new ATOM 0 HG3 PRO A 34 -6.166 6.739 -6.749 1.00 1.14 H new ATOM 0 HD2 PRO A 34 -4.768 5.178 -4.998 1.00 0.92 H new ATOM 0 HD3 PRO A 34 -6.267 4.606 -5.704 1.00 0.92 H new ATOM 519 N CYS A 35 -1.972 4.574 -7.434 1.00 1.08 N ATOM 520 CA CYS A 35 -0.568 4.869 -7.677 1.00 1.23 C ATOM 521 C CYS A 35 0.290 3.612 -7.430 1.00 1.44 C ATOM 522 O CYS A 35 1.468 3.722 -7.045 1.00 1.52 O ATOM 523 CB CYS A 35 -0.212 6.081 -6.796 1.00 0.95 C ATOM 524 SG CYS A 35 0.536 5.627 -5.200 1.00 1.40 S ATOM 0 H CYS A 35 -2.196 4.419 -6.451 1.00 1.08 H new ATOM 0 HA CYS A 35 -0.364 5.135 -8.714 1.00 1.23 H new ATOM 0 HB2 CYS A 35 0.478 6.725 -7.341 1.00 0.95 H new ATOM 0 HB3 CYS A 35 -1.115 6.664 -6.612 1.00 0.95 H new ATOM 529 N MET A 36 -0.320 2.436 -7.648 1.00 1.60 N ATOM 530 CA MET A 36 0.256 1.095 -7.604 1.00 1.81 C ATOM 531 C MET A 36 1.350 0.950 -6.545 1.00 1.78 C ATOM 532 O MET A 36 2.533 0.868 -6.859 1.00 1.82 O ATOM 533 CB MET A 36 0.707 0.641 -9.006 1.00 2.01 C ATOM 534 CG MET A 36 1.690 1.588 -9.713 1.00 3.45 C ATOM 535 SD MET A 36 0.952 2.999 -10.586 1.00 3.78 S ATOM 536 CE MET A 36 0.653 2.251 -12.208 1.00 3.40 C ATOM 0 H MET A 36 -1.313 2.403 -7.879 1.00 1.60 H new ATOM 0 HA MET A 36 -0.533 0.414 -7.286 1.00 1.81 H new ATOM 0 HB2 MET A 36 1.171 -0.342 -8.921 1.00 2.01 H new ATOM 0 HB3 MET A 36 -0.176 0.524 -9.634 1.00 2.01 H new ATOM 0 HG2 MET A 36 2.390 1.972 -8.971 1.00 3.45 H new ATOM 0 HG3 MET A 36 2.271 1.007 -10.429 1.00 3.45 H new ATOM 0 HE1 MET A 36 0.199 2.988 -12.870 1.00 3.40 H new ATOM 0 HE2 MET A 36 1.598 1.914 -12.633 1.00 3.40 H new ATOM 0 HE3 MET A 36 -0.019 1.400 -12.098 1.00 3.40 H new ATOM 546 N HIS A 37 0.947 0.902 -5.272 1.00 1.78 N ATOM 547 CA HIS A 37 1.907 0.935 -4.167 1.00 1.88 C ATOM 548 C HIS A 37 1.761 -0.219 -3.176 1.00 2.41 C ATOM 549 O HIS A 37 2.665 -0.431 -2.373 1.00 4.26 O ATOM 550 CB HIS A 37 1.853 2.298 -3.473 1.00 1.59 C ATOM 551 CG HIS A 37 3.192 2.976 -3.525 1.00 2.03 C ATOM 552 ND1 HIS A 37 3.595 3.910 -4.479 1.00 1.87 N ATOM 553 CD2 HIS A 37 4.235 2.700 -2.688 1.00 2.70 C ATOM 554 CE1 HIS A 37 4.870 4.200 -4.182 1.00 2.44 C ATOM 555 NE2 HIS A 37 5.283 3.487 -3.112 1.00 2.95 N ATOM 0 H HIS A 37 -0.029 0.841 -4.983 1.00 1.78 H new ATOM 0 HA HIS A 37 2.896 0.793 -4.604 1.00 1.88 H new ATOM 0 HB2 HIS A 37 1.103 2.926 -3.954 1.00 1.59 H new ATOM 0 HB3 HIS A 37 1.545 2.171 -2.435 1.00 1.59 H new ATOM 0 HD2 HIS A 37 4.238 2.005 -1.861 1.00 2.70 H new ATOM 0 HE1 HIS A 37 5.482 4.906 -4.724 1.00 2.44 H new ATOM 0 HE2 HIS A 37 6.211 3.525 -2.690 1.00 2.95 H new ATOM 563 N LEU A 38 0.663 -0.979 -3.287 1.00 1.39 N ATOM 564 CA LEU A 38 0.415 -2.246 -2.609 1.00 1.38 C ATOM 565 C LEU A 38 0.531 -2.166 -1.090 1.00 1.33 C ATOM 566 O LEU A 38 1.604 -2.288 -0.503 1.00 1.85 O ATOM 567 CB LEU A 38 1.290 -3.340 -3.234 1.00 2.14 C ATOM 568 CG LEU A 38 0.412 -4.390 -3.920 1.00 1.02 C ATOM 569 CD1 LEU A 38 1.226 -5.057 -5.015 1.00 2.59 C ATOM 570 CD2 LEU A 38 -0.132 -5.383 -2.895 1.00 2.16 C ATOM 0 H LEU A 38 -0.115 -0.706 -3.887 1.00 1.39 H new ATOM 0 HA LEU A 38 -0.630 -2.512 -2.767 1.00 1.38 H new ATOM 0 HB2 LEU A 38 1.975 -2.899 -3.958 1.00 2.14 H new ATOM 0 HB3 LEU A 38 1.900 -3.812 -2.464 1.00 2.14 H new ATOM 0 HG LEU A 38 -0.459 -3.923 -4.380 1.00 1.02 H new ATOM 0 HD11 LEU A 38 0.616 -5.809 -5.515 1.00 2.59 H new ATOM 0 HD12 LEU A 38 1.544 -4.307 -5.740 1.00 2.59 H new ATOM 0 HD13 LEU A 38 2.103 -5.534 -4.577 1.00 2.59 H new ATOM 0 HD21 LEU A 38 -0.754 -6.122 -3.399 1.00 2.16 H new ATOM 0 HD22 LEU A 38 0.698 -5.885 -2.399 1.00 2.16 H new ATOM 0 HD23 LEU A 38 -0.729 -4.851 -2.154 1.00 2.16 H new ATOM 582 N PHE A 39 -0.620 -2.002 -0.440 1.00 1.02 N ATOM 583 CA PHE A 39 -0.693 -1.814 0.991 1.00 1.44 C ATOM 584 C PHE A 39 -1.798 -2.727 1.550 1.00 1.46 C ATOM 585 O PHE A 39 -2.804 -2.982 0.888 1.00 2.54 O ATOM 586 CB PHE A 39 -0.952 -0.325 1.271 1.00 1.67 C ATOM 587 CG PHE A 39 0.098 0.700 0.829 1.00 1.80 C ATOM 588 CD1 PHE A 39 -0.306 1.994 0.446 1.00 2.66 C ATOM 589 CD2 PHE A 39 1.478 0.450 0.959 1.00 2.05 C ATOM 590 CE1 PHE A 39 0.635 3.014 0.212 1.00 2.94 C ATOM 591 CE2 PHE A 39 2.416 1.480 0.752 1.00 2.44 C ATOM 592 CZ PHE A 39 2.002 2.761 0.370 1.00 2.56 C ATOM 0 H PHE A 39 -1.529 -1.997 -0.903 1.00 1.02 H new ATOM 0 HA PHE A 39 0.239 -2.087 1.486 1.00 1.44 H new ATOM 0 HB2 PHE A 39 -1.895 -0.058 0.795 1.00 1.67 H new ATOM 0 HB3 PHE A 39 -1.094 -0.210 2.346 1.00 1.67 H new ATOM 0 HD1 PHE A 39 -1.358 2.207 0.330 1.00 2.66 H new ATOM 0 HD2 PHE A 39 1.820 -0.541 1.220 1.00 2.05 H new ATOM 0 HE1 PHE A 39 0.301 3.995 -0.091 1.00 2.94 H new ATOM 0 HE2 PHE A 39 3.468 1.279 0.890 1.00 2.44 H new ATOM 0 HZ PHE A 39 2.727 3.543 0.200 1.00 2.56 H new ATOM 602 N HIS A 40 -1.583 -3.239 2.765 1.00 1.20 N ATOM 603 CA HIS A 40 -2.535 -4.037 3.549 1.00 1.07 C ATOM 604 C HIS A 40 -3.811 -3.228 3.782 1.00 1.09 C ATOM 605 O HIS A 40 -3.697 -2.028 3.994 1.00 1.65 O ATOM 606 CB HIS A 40 -1.918 -4.279 4.939 1.00 1.28 C ATOM 607 CG HIS A 40 -1.550 -5.674 5.354 1.00 0.73 C ATOM 608 ND1 HIS A 40 -0.435 -5.945 6.142 1.00 0.80 N ATOM 609 CD2 HIS A 40 -2.353 -6.775 5.303 1.00 0.88 C ATOM 610 CE1 HIS A 40 -0.574 -7.213 6.556 1.00 1.21 C ATOM 611 NE2 HIS A 40 -1.714 -7.735 6.058 1.00 1.22 N ATOM 0 H HIS A 40 -0.698 -3.103 3.254 1.00 1.20 H new ATOM 0 HA HIS A 40 -2.752 -4.965 3.020 1.00 1.07 H new ATOM 0 HB2 HIS A 40 -1.016 -3.670 5.006 1.00 1.28 H new ATOM 0 HB3 HIS A 40 -2.619 -3.893 5.679 1.00 1.28 H new ATOM 0 HD2 HIS A 40 -3.293 -6.874 4.780 1.00 0.88 H new ATOM 0 HE1 HIS A 40 0.123 -7.738 7.193 1.00 1.21 H new ATOM 0 HE2 HIS A 40 -2.049 -8.686 6.215 1.00 1.22 H new ATOM 619 N GLN A 41 -4.985 -3.858 3.900 1.00 0.91 N ATOM 620 CA GLN A 41 -6.210 -3.168 4.309 1.00 1.06 C ATOM 621 C GLN A 41 -6.041 -2.443 5.646 1.00 1.12 C ATOM 622 O GLN A 41 -6.588 -1.359 5.825 1.00 1.51 O ATOM 623 CB GLN A 41 -7.379 -4.160 4.382 1.00 1.19 C ATOM 624 CG GLN A 41 -8.694 -3.488 4.799 1.00 1.84 C ATOM 625 CD GLN A 41 -9.850 -4.480 4.773 1.00 2.17 C ATOM 626 OE1 GLN A 41 -10.585 -4.553 3.797 1.00 2.70 O ATOM 627 NE2 GLN A 41 -10.027 -5.254 5.837 1.00 3.17 N ATOM 0 H GLN A 41 -5.111 -4.853 3.716 1.00 0.91 H new ATOM 0 HA GLN A 41 -6.428 -2.412 3.555 1.00 1.06 H new ATOM 0 HB2 GLN A 41 -7.510 -4.635 3.410 1.00 1.19 H new ATOM 0 HB3 GLN A 41 -7.137 -4.950 5.093 1.00 1.19 H new ATOM 0 HG2 GLN A 41 -8.591 -3.071 5.801 1.00 1.84 H new ATOM 0 HG3 GLN A 41 -8.909 -2.656 4.128 1.00 1.84 H new ATOM 0 HE21 GLN A 41 -9.400 -5.172 6.637 1.00 3.17 H new ATOM 0 HE22 GLN A 41 -10.790 -5.930 5.854 1.00 3.17 H new ATOM 636 N VAL A 42 -5.330 -3.040 6.605 1.00 0.96 N ATOM 637 CA VAL A 42 -5.083 -2.382 7.881 1.00 1.00 C ATOM 638 C VAL A 42 -4.019 -1.302 7.691 1.00 0.92 C ATOM 639 O VAL A 42 -4.301 -0.123 7.869 1.00 1.01 O ATOM 640 CB VAL A 42 -4.697 -3.419 8.949 1.00 1.03 C ATOM 641 CG1 VAL A 42 -4.337 -2.757 10.284 1.00 1.09 C ATOM 642 CG2 VAL A 42 -5.871 -4.379 9.183 1.00 1.25 C ATOM 0 H VAL A 42 -4.920 -3.970 6.520 1.00 0.96 H new ATOM 0 HA VAL A 42 -5.990 -1.893 8.237 1.00 1.00 H new ATOM 0 HB VAL A 42 -3.823 -3.957 8.581 1.00 1.03 H new ATOM 0 HG11 VAL A 42 -4.071 -3.525 11.011 1.00 1.09 H new ATOM 0 HG12 VAL A 42 -3.491 -2.084 10.140 1.00 1.09 H new ATOM 0 HG13 VAL A 42 -5.193 -2.191 10.652 1.00 1.09 H new ATOM 0 HG21 VAL A 42 -5.595 -5.113 9.940 1.00 1.25 H new ATOM 0 HG22 VAL A 42 -6.740 -3.815 9.523 1.00 1.25 H new ATOM 0 HG23 VAL A 42 -6.113 -4.891 8.252 1.00 1.25 H new ATOM 652 N CYS A 43 -2.789 -1.693 7.348 1.00 1.00 N ATOM 653 CA CYS A 43 -1.637 -0.801 7.400 1.00 1.08 C ATOM 654 C CYS A 43 -1.837 0.431 6.507 1.00 0.81 C ATOM 655 O CYS A 43 -1.369 1.517 6.854 1.00 0.70 O ATOM 656 CB CYS A 43 -0.386 -1.561 6.952 1.00 1.38 C ATOM 657 SG CYS A 43 -0.212 -3.139 7.826 1.00 1.71 S ATOM 0 H CYS A 43 -2.568 -2.636 7.028 1.00 1.00 H new ATOM 0 HA CYS A 43 -1.520 -0.456 8.427 1.00 1.08 H new ATOM 0 HB2 CYS A 43 -0.436 -1.743 5.878 1.00 1.38 H new ATOM 0 HB3 CYS A 43 0.497 -0.947 7.131 1.00 1.38 H new ATOM 662 N VAL A 44 -2.470 0.267 5.336 1.00 0.80 N ATOM 663 CA VAL A 44 -2.817 1.385 4.462 1.00 0.75 C ATOM 664 C VAL A 44 -3.512 2.456 5.287 1.00 0.70 C ATOM 665 O VAL A 44 -3.090 3.609 5.291 1.00 0.66 O ATOM 666 CB VAL A 44 -3.668 0.946 3.249 1.00 0.90 C ATOM 667 CG1 VAL A 44 -5.112 0.551 3.565 1.00 2.19 C ATOM 668 CG2 VAL A 44 -3.730 2.068 2.211 1.00 1.56 C ATOM 0 H VAL A 44 -2.753 -0.644 4.974 1.00 0.80 H new ATOM 0 HA VAL A 44 -1.900 1.795 4.038 1.00 0.75 H new ATOM 0 HB VAL A 44 -3.159 0.055 2.882 1.00 0.90 H new ATOM 0 HG11 VAL A 44 -5.619 0.260 2.645 1.00 2.19 H new ATOM 0 HG12 VAL A 44 -5.116 -0.287 4.262 1.00 2.19 H new ATOM 0 HG13 VAL A 44 -5.631 1.398 4.013 1.00 2.19 H new ATOM 0 HG21 VAL A 44 -4.333 1.745 1.362 1.00 1.56 H new ATOM 0 HG22 VAL A 44 -4.180 2.954 2.659 1.00 1.56 H new ATOM 0 HG23 VAL A 44 -2.722 2.305 1.871 1.00 1.56 H new ATOM 678 N ASP A 45 -4.527 2.055 6.048 1.00 0.79 N ATOM 679 CA ASP A 45 -5.343 2.928 6.868 1.00 0.87 C ATOM 680 C ASP A 45 -4.681 3.097 8.237 1.00 0.91 C ATOM 681 O ASP A 45 -5.312 3.009 9.287 1.00 1.04 O ATOM 682 CB ASP A 45 -6.746 2.313 6.957 1.00 0.99 C ATOM 683 CG ASP A 45 -7.822 3.360 7.232 1.00 1.59 C ATOM 684 OD1 ASP A 45 -7.534 4.561 7.028 1.00 2.55 O ATOM 685 OD2 ASP A 45 -8.954 2.934 7.538 1.00 2.57 O ATOM 0 H ASP A 45 -4.809 1.077 6.108 1.00 0.79 H new ATOM 0 HA ASP A 45 -5.434 3.925 6.436 1.00 0.87 H new ATOM 0 HB2 ASP A 45 -6.974 1.798 6.024 1.00 0.99 H new ATOM 0 HB3 ASP A 45 -6.762 1.563 7.748 1.00 0.99 H new ATOM 690 N GLN A 46 -3.367 3.323 8.223 1.00 0.85 N ATOM 691 CA GLN A 46 -2.560 3.555 9.402 1.00 0.93 C ATOM 692 C GLN A 46 -1.430 4.511 9.019 1.00 0.92 C ATOM 693 O GLN A 46 -1.351 5.618 9.543 1.00 1.04 O ATOM 694 CB GLN A 46 -2.056 2.216 9.964 1.00 1.00 C ATOM 695 CG GLN A 46 -2.017 2.274 11.492 1.00 1.25 C ATOM 696 CD GLN A 46 -1.380 1.015 12.069 1.00 1.67 C ATOM 697 OE1 GLN A 46 -0.164 0.881 12.093 1.00 2.23 O ATOM 698 NE2 GLN A 46 -2.180 0.065 12.540 1.00 2.64 N ATOM 0 H GLN A 46 -2.826 3.349 7.359 1.00 0.85 H new ATOM 0 HA GLN A 46 -3.141 4.018 10.200 1.00 0.93 H new ATOM 0 HB2 GLN A 46 -2.709 1.406 9.639 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -1.061 1.999 9.574 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -1.454 3.151 11.812 1.00 1.25 H new ATOM 0 HG3 GLN A 46 -3.029 2.385 11.881 1.00 1.25 H new ATOM 0 HE21 GLN A 46 -3.192 0.191 12.513 1.00 2.64 H new ATOM 0 HE22 GLN A 46 -1.782 -0.790 12.928 1.00 2.64 H new ATOM 707 N ARG A 47 -0.567 4.128 8.069 1.00 0.89 N ATOM 708 CA ARG A 47 0.454 5.045 7.570 1.00 0.88 C ATOM 709 C ARG A 47 -0.185 6.131 6.706 1.00 0.86 C ATOM 710 O ARG A 47 0.182 7.295 6.837 1.00 0.98 O ATOM 711 CB ARG A 47 1.573 4.298 6.829 1.00 0.89 C ATOM 712 CG ARG A 47 2.698 5.241 6.357 1.00 0.97 C ATOM 713 CD ARG A 47 3.584 4.634 5.259 1.00 1.04 C ATOM 714 NE ARG A 47 4.655 3.762 5.770 1.00 2.18 N ATOM 715 CZ ARG A 47 5.418 2.989 4.983 1.00 2.83 C ATOM 716 NH1 ARG A 47 6.325 2.159 5.499 1.00 4.26 N ATOM 717 NH2 ARG A 47 5.240 3.001 3.663 1.00 2.91 N ATOM 0 H ARG A 47 -0.558 3.203 7.639 1.00 0.89 H new ATOM 0 HA ARG A 47 0.924 5.533 8.424 1.00 0.88 H new ATOM 0 HB2 ARG A 47 1.993 3.536 7.485 1.00 0.89 H new ATOM 0 HB3 ARG A 47 1.152 3.780 5.967 1.00 0.89 H new ATOM 0 HG2 ARG A 47 2.255 6.165 5.986 1.00 0.97 H new ATOM 0 HG3 ARG A 47 3.321 5.506 7.211 1.00 0.97 H new ATOM 0 HD2 ARG A 47 2.957 4.061 4.576 1.00 1.04 H new ATOM 0 HD3 ARG A 47 4.032 5.441 4.680 1.00 1.04 H new ATOM 0 HE ARG A 47 4.826 3.745 6.775 1.00 2.18 H new ATOM 0 HH11 ARG A 47 6.449 2.103 6.510 1.00 4.26 H new ATOM 0 HH12 ARG A 47 6.895 1.580 4.883 1.00 4.26 H new ATOM 0 HH21 ARG A 47 4.523 3.598 3.250 1.00 2.91 H new ATOM 0 HH22 ARG A 47 5.820 2.413 3.065 1.00 2.91 H new ATOM 731 N LEU A 48 -1.109 5.795 5.802 1.00 0.77 N ATOM 732 CA LEU A 48 -1.684 6.785 4.889 1.00 0.80 C ATOM 733 C LEU A 48 -2.897 7.434 5.560 1.00 0.91 C ATOM 734 O LEU A 48 -3.920 7.667 4.925 1.00 1.53 O ATOM 735 CB LEU A 48 -2.079 6.160 3.533 1.00 0.78 C ATOM 736 CG LEU A 48 -0.947 5.577 2.667 1.00 0.83 C ATOM 737 CD1 LEU A 48 0.032 6.662 2.214 1.00 0.89 C ATOM 738 CD2 LEU A 48 -0.159 4.463 3.360 1.00 0.95 C ATOM 0 H LEU A 48 -1.473 4.850 5.683 1.00 0.77 H new ATOM 0 HA LEU A 48 -0.929 7.542 4.677 1.00 0.80 H new ATOM 0 HB2 LEU A 48 -2.800 5.365 3.725 1.00 0.78 H new ATOM 0 HB3 LEU A 48 -2.593 6.922 2.947 1.00 0.78 H new ATOM 0 HG LEU A 48 -1.451 5.145 1.803 1.00 0.83 H new ATOM 0 HD11 LEU A 48 0.817 6.213 1.605 1.00 0.89 H new ATOM 0 HD12 LEU A 48 -0.500 7.410 1.626 1.00 0.89 H new ATOM 0 HD13 LEU A 48 0.478 7.138 3.088 1.00 0.89 H new ATOM 0 HD21 LEU A 48 0.622 4.100 2.692 1.00 0.95 H new ATOM 0 HD22 LEU A 48 0.295 4.852 4.271 1.00 0.95 H new ATOM 0 HD23 LEU A 48 -0.832 3.643 3.611 1.00 0.95 H new ATOM 750 N ILE A 49 -2.791 7.742 6.853 1.00 0.97 N ATOM 751 CA ILE A 49 -3.804 8.499 7.559 1.00 1.01 C ATOM 752 C ILE A 49 -3.468 9.964 7.310 1.00 0.91 C ATOM 753 O ILE A 49 -2.334 10.383 7.538 1.00 2.31 O ATOM 754 CB ILE A 49 -3.774 8.115 9.052 1.00 1.39 C ATOM 755 CG1 ILE A 49 -4.292 6.678 9.249 1.00 1.21 C ATOM 756 CG2 ILE A 49 -4.572 9.087 9.929 1.00 2.51 C ATOM 757 CD1 ILE A 49 -5.810 6.525 9.110 1.00 2.40 C ATOM 0 H ILE A 49 -1.997 7.470 7.433 1.00 0.97 H new ATOM 0 HA ILE A 49 -4.818 8.294 7.216 1.00 1.01 H new ATOM 0 HB ILE A 49 -2.733 8.174 9.371 1.00 1.39 H new ATOM 0 HG12 ILE A 49 -3.806 6.027 8.522 1.00 1.21 H new ATOM 0 HG13 ILE A 49 -3.994 6.330 10.238 1.00 1.21 H new ATOM 0 HG21 ILE A 49 -4.516 8.768 10.970 1.00 2.51 H new ATOM 0 HG22 ILE A 49 -4.155 10.089 9.834 1.00 2.51 H new ATOM 0 HG23 ILE A 49 -5.614 9.096 9.608 1.00 2.51 H new ATOM 0 HD11 ILE A 49 -6.086 5.482 9.264 1.00 2.40 H new ATOM 0 HD12 ILE A 49 -6.308 7.146 9.855 1.00 2.40 H new ATOM 0 HD13 ILE A 49 -6.117 6.838 8.112 1.00 2.40 H new ATOM 769 N THR A 50 -4.428 10.732 6.790 1.00 1.89 N ATOM 770 CA THR A 50 -4.312 12.169 6.542 1.00 2.29 C ATOM 771 C THR A 50 -3.512 12.481 5.270 1.00 2.14 C ATOM 772 O THR A 50 -3.926 13.337 4.487 1.00 3.29 O ATOM 773 CB THR A 50 -3.791 12.898 7.790 1.00 2.81 C ATOM 774 OG1 THR A 50 -4.523 12.456 8.914 1.00 3.36 O ATOM 775 CG2 THR A 50 -3.978 14.413 7.679 1.00 4.30 C ATOM 0 H THR A 50 -5.338 10.357 6.521 1.00 1.89 H new ATOM 0 HA THR A 50 -5.311 12.559 6.346 1.00 2.29 H new ATOM 0 HB THR A 50 -2.728 12.678 7.887 1.00 2.81 H new ATOM 0 HG1 THR A 50 -4.197 12.914 9.717 1.00 3.36 H new ATOM 0 HG21 THR A 50 -3.598 14.894 8.580 1.00 4.30 H new ATOM 0 HG22 THR A 50 -3.432 14.784 6.812 1.00 4.30 H new ATOM 0 HG23 THR A 50 -5.038 14.641 7.566 1.00 4.30 H new ATOM 783 N ASN A 51 -2.378 11.817 5.022 1.00 1.11 N ATOM 784 CA ASN A 51 -1.729 11.928 3.720 1.00 0.93 C ATOM 785 C ASN A 51 -2.588 11.223 2.672 1.00 0.84 C ATOM 786 O ASN A 51 -3.266 10.249 2.976 1.00 1.08 O ATOM 787 CB ASN A 51 -0.325 11.306 3.729 1.00 0.95 C ATOM 788 CG ASN A 51 0.301 11.432 2.340 1.00 1.31 C ATOM 789 OD1 ASN A 51 0.181 12.475 1.705 1.00 1.39 O ATOM 790 ND2 ASN A 51 0.892 10.370 1.807 1.00 2.48 N ATOM 0 H ASN A 51 -1.903 11.211 5.691 1.00 1.11 H new ATOM 0 HA ASN A 51 -1.625 12.987 3.482 1.00 0.93 H new ATOM 0 HB2 ASN A 51 0.301 11.807 4.468 1.00 0.95 H new ATOM 0 HB3 ASN A 51 -0.383 10.257 4.019 1.00 0.95 H new ATOM 0 HD21 ASN A 51 1.255 10.413 0.855 1.00 2.48 H new ATOM 0 HD22 ASN A 51 0.983 9.511 2.350 1.00 2.48 H new ATOM 797 N LYS A 52 -2.517 11.670 1.418 1.00 0.74 N ATOM 798 CA LYS A 52 -3.119 10.966 0.298 1.00 0.76 C ATOM 799 C LYS A 52 -2.276 11.222 -0.946 1.00 0.71 C ATOM 800 O LYS A 52 -2.773 11.772 -1.922 1.00 0.97 O ATOM 801 CB LYS A 52 -4.584 11.400 0.103 1.00 1.09 C ATOM 802 CG LYS A 52 -4.791 12.925 0.085 1.00 1.91 C ATOM 803 CD LYS A 52 -5.139 13.496 1.470 1.00 2.10 C ATOM 804 CE LYS A 52 -4.186 14.617 1.894 1.00 3.53 C ATOM 805 NZ LYS A 52 -4.210 15.760 0.954 1.00 4.74 N ATOM 0 H LYS A 52 -2.039 12.532 1.155 1.00 0.74 H new ATOM 0 HA LYS A 52 -3.137 9.894 0.495 1.00 0.76 H new ATOM 0 HB2 LYS A 52 -4.954 10.983 -0.834 1.00 1.09 H new ATOM 0 HB3 LYS A 52 -5.188 10.972 0.903 1.00 1.09 H new ATOM 0 HG2 LYS A 52 -3.885 13.406 -0.284 1.00 1.91 H new ATOM 0 HG3 LYS A 52 -5.590 13.170 -0.615 1.00 1.91 H new ATOM 0 HD2 LYS A 52 -6.160 13.876 1.457 1.00 2.10 H new ATOM 0 HD3 LYS A 52 -5.106 12.695 2.209 1.00 2.10 H new ATOM 0 HE2 LYS A 52 -4.457 14.964 2.891 1.00 3.53 H new ATOM 0 HE3 LYS A 52 -3.172 14.224 1.958 1.00 3.53 H new ATOM 0 HZ1 LYS A 52 -3.774 16.589 1.405 1.00 4.74 H new ATOM 0 HZ2 LYS A 52 -3.679 15.514 0.094 1.00 4.74 H new ATOM 0 HZ3 LYS A 52 -5.194 15.981 0.701 1.00 4.74 H new ATOM 819 N LYS A 53 -1.007 10.814 -0.943 1.00 0.54 N ATOM 820 CA LYS A 53 -0.140 10.997 -2.108 1.00 0.55 C ATOM 821 C LYS A 53 0.985 9.974 -2.089 1.00 0.54 C ATOM 822 O LYS A 53 1.394 9.552 -1.006 1.00 0.69 O ATOM 823 CB LYS A 53 0.415 12.433 -2.184 1.00 0.68 C ATOM 824 CG LYS A 53 0.027 12.984 -3.560 1.00 2.77 C ATOM 825 CD LYS A 53 0.582 14.367 -3.890 1.00 3.20 C ATOM 826 CE LYS A 53 0.275 14.602 -5.375 1.00 5.01 C ATOM 827 NZ LYS A 53 -0.371 15.903 -5.626 1.00 5.78 N ATOM 0 H LYS A 53 -0.557 10.356 -0.150 1.00 0.54 H new ATOM 0 HA LYS A 53 -0.739 10.839 -3.005 1.00 0.55 H new ATOM 0 HB2 LYS A 53 -0.001 13.051 -1.388 1.00 0.68 H new ATOM 0 HB3 LYS A 53 1.498 12.436 -2.057 1.00 0.68 H new ATOM 0 HG2 LYS A 53 0.367 12.283 -4.323 1.00 2.77 H new ATOM 0 HG3 LYS A 53 -1.060 13.022 -3.624 1.00 2.77 H new ATOM 0 HD2 LYS A 53 0.116 15.133 -3.269 1.00 3.20 H new ATOM 0 HD3 LYS A 53 1.655 14.412 -3.701 1.00 3.20 H new ATOM 0 HE2 LYS A 53 1.202 14.545 -5.946 1.00 5.01 H new ATOM 0 HE3 LYS A 53 -0.373 13.804 -5.738 1.00 5.01 H new ATOM 0 HZ1 LYS A 53 -0.252 16.162 -6.626 1.00 5.78 H new ATOM 0 HZ2 LYS A 53 -1.385 15.836 -5.404 1.00 5.78 H new ATOM 0 HZ3 LYS A 53 0.068 16.630 -5.025 1.00 5.78 H new ATOM 841 N CYS A 54 1.476 9.608 -3.276 1.00 0.62 N ATOM 842 CA CYS A 54 2.602 8.707 -3.474 1.00 0.75 C ATOM 843 C CYS A 54 3.860 9.544 -3.740 1.00 0.80 C ATOM 844 O CYS A 54 3.764 10.591 -4.385 1.00 0.88 O ATOM 845 CB CYS A 54 2.373 7.931 -4.779 1.00 0.86 C ATOM 846 SG CYS A 54 1.649 6.284 -4.554 1.00 1.07 S ATOM 0 H CYS A 54 1.082 9.946 -4.154 1.00 0.62 H new ATOM 0 HA CYS A 54 2.703 8.060 -2.603 1.00 0.75 H new ATOM 0 HB2 CYS A 54 1.719 8.517 -5.426 1.00 0.86 H new ATOM 0 HB3 CYS A 54 3.326 7.828 -5.298 1.00 0.86 H new ATOM 851 N PRO A 55 5.051 9.035 -3.390 1.00 1.11 N ATOM 852 CA PRO A 55 6.305 9.557 -3.898 1.00 1.48 C ATOM 853 C PRO A 55 6.463 9.122 -5.356 1.00 1.59 C ATOM 854 O PRO A 55 6.210 7.964 -5.679 1.00 2.95 O ATOM 855 CB PRO A 55 7.376 8.915 -3.017 1.00 2.02 C ATOM 856 CG PRO A 55 6.781 7.544 -2.691 1.00 1.91 C ATOM 857 CD PRO A 55 5.276 7.810 -2.637 1.00 1.44 C ATOM 0 HA PRO A 55 6.367 10.645 -3.871 1.00 1.48 H new ATOM 0 HB2 PRO A 55 8.328 8.827 -3.540 1.00 2.02 H new ATOM 0 HB3 PRO A 55 7.560 9.499 -2.115 1.00 2.02 H new ATOM 0 HG2 PRO A 55 7.031 6.807 -3.454 1.00 1.91 H new ATOM 0 HG3 PRO A 55 7.155 7.160 -1.742 1.00 1.91 H new ATOM 0 HD2 PRO A 55 4.718 6.979 -3.070 1.00 1.44 H new ATOM 0 HD3 PRO A 55 4.937 7.919 -1.607 1.00 1.44 H new ATOM 865 N ILE A 56 6.900 10.036 -6.228 1.00 1.98 N ATOM 866 CA ILE A 56 7.157 9.827 -7.655 1.00 2.09 C ATOM 867 C ILE A 56 5.864 9.697 -8.459 1.00 1.86 C ATOM 868 O ILE A 56 5.714 10.431 -9.433 1.00 2.82 O ATOM 869 CB ILE A 56 8.150 8.680 -7.947 1.00 2.44 C ATOM 870 CG1 ILE A 56 9.448 8.825 -7.129 1.00 2.88 C ATOM 871 CG2 ILE A 56 8.503 8.698 -9.447 1.00 3.73 C ATOM 872 CD1 ILE A 56 10.248 7.520 -7.091 1.00 3.11 C ATOM 0 H ILE A 56 7.095 10.995 -5.940 1.00 1.98 H new ATOM 0 HA ILE A 56 7.658 10.733 -7.997 1.00 2.09 H new ATOM 0 HB ILE A 56 7.675 7.740 -7.666 1.00 2.44 H new ATOM 0 HG12 ILE A 56 10.063 9.615 -7.560 1.00 2.88 H new ATOM 0 HG13 ILE A 56 9.204 9.131 -6.112 1.00 2.88 H new ATOM 0 HG21 ILE A 56 9.204 7.892 -9.666 1.00 3.73 H new ATOM 0 HG22 ILE A 56 7.596 8.560 -10.036 1.00 3.73 H new ATOM 0 HG23 ILE A 56 8.959 9.655 -9.702 1.00 3.73 H new ATOM 0 HD11 ILE A 56 11.155 7.666 -6.504 1.00 3.11 H new ATOM 0 HD12 ILE A 56 9.644 6.736 -6.635 1.00 3.11 H new ATOM 0 HD13 ILE A 56 10.516 7.228 -8.106 1.00 3.11 H new ATOM 884 N CYS A 57 4.928 8.809 -8.085 1.00 1.11 N ATOM 885 CA CYS A 57 3.718 8.578 -8.865 1.00 1.07 C ATOM 886 C CYS A 57 2.970 9.912 -9.062 1.00 1.28 C ATOM 887 O CYS A 57 2.290 10.098 -10.064 1.00 2.32 O ATOM 888 CB CYS A 57 2.792 7.564 -8.162 1.00 0.97 C ATOM 889 SG CYS A 57 3.630 6.166 -7.320 1.00 1.14 S ATOM 0 H CYS A 57 4.994 8.240 -7.241 1.00 1.11 H new ATOM 0 HA CYS A 57 4.005 8.167 -9.833 1.00 1.07 H new ATOM 0 HB2 CYS A 57 2.191 8.099 -7.426 1.00 0.97 H new ATOM 0 HB3 CYS A 57 2.102 7.157 -8.902 1.00 0.97 H new ATOM 894 N ARG A 58 3.096 10.833 -8.092 1.00 0.92 N ATOM 895 CA ARG A 58 2.563 12.196 -8.127 1.00 1.00 C ATOM 896 C ARG A 58 1.082 12.186 -8.499 1.00 1.00 C ATOM 897 O ARG A 58 0.613 12.997 -9.294 1.00 1.36 O ATOM 898 CB ARG A 58 3.400 13.077 -9.071 1.00 1.25 C ATOM 899 CG ARG A 58 3.091 14.574 -8.866 1.00 1.68 C ATOM 900 CD ARG A 58 3.095 15.369 -10.180 1.00 2.33 C ATOM 901 NE ARG A 58 4.343 16.120 -10.381 1.00 3.02 N ATOM 902 CZ ARG A 58 4.663 16.783 -11.501 1.00 3.98 C ATOM 903 NH1 ARG A 58 5.757 17.545 -11.537 1.00 4.85 N ATOM 904 NH2 ARG A 58 3.884 16.693 -12.579 1.00 4.41 N ATOM 0 H ARG A 58 3.595 10.634 -7.225 1.00 0.92 H new ATOM 0 HA ARG A 58 2.637 12.632 -7.131 1.00 1.00 H new ATOM 0 HB2 ARG A 58 4.460 12.896 -8.896 1.00 1.25 H new ATOM 0 HB3 ARG A 58 3.196 12.800 -10.105 1.00 1.25 H new ATOM 0 HG2 ARG A 58 2.117 14.677 -8.388 1.00 1.68 H new ATOM 0 HG3 ARG A 58 3.827 15.002 -8.186 1.00 1.68 H new ATOM 0 HD2 ARG A 58 2.948 14.684 -11.015 1.00 2.33 H new ATOM 0 HD3 ARG A 58 2.253 16.062 -10.184 1.00 2.33 H new ATOM 0 HE ARG A 58 5.014 16.138 -9.613 1.00 3.02 H new ATOM 0 HH11 ARG A 58 6.351 17.624 -10.712 1.00 4.85 H new ATOM 0 HH12 ARG A 58 6.000 18.049 -12.390 1.00 4.85 H new ATOM 0 HH21 ARG A 58 3.042 16.118 -12.553 1.00 4.41 H new ATOM 0 HH22 ARG A 58 4.130 17.199 -13.430 1.00 4.41 H new ATOM 918 N VAL A 59 0.337 11.310 -7.842 1.00 0.80 N ATOM 919 CA VAL A 59 -1.095 11.172 -7.985 1.00 0.82 C ATOM 920 C VAL A 59 -1.631 11.164 -6.563 1.00 0.73 C ATOM 921 O VAL A 59 -1.023 10.553 -5.679 1.00 0.72 O ATOM 922 CB VAL A 59 -1.390 9.884 -8.775 1.00 0.86 C ATOM 923 CG1 VAL A 59 -2.821 9.372 -8.583 1.00 0.97 C ATOM 924 CG2 VAL A 59 -1.181 10.146 -10.271 1.00 1.24 C ATOM 0 H VAL A 59 0.734 10.653 -7.170 1.00 0.80 H new ATOM 0 HA VAL A 59 -1.575 11.974 -8.546 1.00 0.82 H new ATOM 0 HB VAL A 59 -0.707 9.125 -8.395 1.00 0.86 H new ATOM 0 HG11 VAL A 59 -2.963 8.462 -9.166 1.00 0.97 H new ATOM 0 HG12 VAL A 59 -2.992 9.157 -7.528 1.00 0.97 H new ATOM 0 HG13 VAL A 59 -3.527 10.132 -8.918 1.00 0.97 H new ATOM 0 HG21 VAL A 59 -1.389 9.235 -10.832 1.00 1.24 H new ATOM 0 HG22 VAL A 59 -1.855 10.937 -10.600 1.00 1.24 H new ATOM 0 HG23 VAL A 59 -0.150 10.452 -10.446 1.00 1.24 H new ATOM 934 N ASP A 60 -2.714 11.898 -6.326 1.00 0.72 N ATOM 935 CA ASP A 60 -3.393 11.856 -5.045 1.00 0.67 C ATOM 936 C ASP A 60 -4.153 10.538 -4.976 1.00 0.68 C ATOM 937 O ASP A 60 -4.753 10.097 -5.952 1.00 0.78 O ATOM 938 CB ASP A 60 -4.295 13.082 -4.843 1.00 0.77 C ATOM 939 CG ASP A 60 -3.462 14.338 -4.566 1.00 1.46 C ATOM 940 OD1 ASP A 60 -3.466 14.828 -3.414 1.00 2.51 O ATOM 941 OD2 ASP A 60 -2.772 14.793 -5.509 1.00 2.40 O ATOM 0 H ASP A 60 -3.137 12.528 -7.008 1.00 0.72 H new ATOM 0 HA ASP A 60 -2.676 11.900 -4.226 1.00 0.67 H new ATOM 0 HB2 ASP A 60 -4.908 13.237 -5.731 1.00 0.77 H new ATOM 0 HB3 ASP A 60 -4.977 12.903 -4.012 1.00 0.77 H new ATOM 946 N ILE A 61 -4.042 9.866 -3.835 1.00 0.66 N ATOM 947 CA ILE A 61 -4.492 8.501 -3.628 1.00 0.70 C ATOM 948 C ILE A 61 -5.980 8.491 -3.292 1.00 0.81 C ATOM 949 O ILE A 61 -6.663 7.491 -3.506 1.00 0.88 O ATOM 950 CB ILE A 61 -3.639 7.913 -2.493 1.00 0.66 C ATOM 951 CG1 ILE A 61 -2.137 8.097 -2.735 1.00 0.60 C ATOM 952 CG2 ILE A 61 -3.870 6.433 -2.244 1.00 0.71 C ATOM 953 CD1 ILE A 61 -1.704 7.739 -4.147 1.00 0.63 C ATOM 0 H ILE A 61 -3.620 10.275 -3.001 1.00 0.66 H new ATOM 0 HA ILE A 61 -4.371 7.895 -4.526 1.00 0.70 H new ATOM 0 HB ILE A 61 -3.965 8.476 -1.619 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -1.868 9.134 -2.533 1.00 0.60 H new ATOM 0 HG13 ILE A 61 -1.584 7.480 -2.026 1.00 0.60 H new ATOM 0 HG21 ILE A 61 -3.230 6.097 -1.428 1.00 0.71 H new ATOM 0 HG22 ILE A 61 -4.914 6.267 -1.978 1.00 0.71 H new ATOM 0 HG23 ILE A 61 -3.632 5.871 -3.147 1.00 0.71 H new ATOM 0 HD11 ILE A 61 -0.630 7.893 -4.248 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -1.941 6.694 -4.346 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -2.230 8.373 -4.861 1.00 0.63 H new ATOM 965 N GLU A 62 -6.474 9.596 -2.733 1.00 0.88 N ATOM 966 CA GLU A 62 -7.888 9.773 -2.471 1.00 1.10 C ATOM 967 C GLU A 62 -8.618 9.883 -3.810 1.00 1.95 C ATOM 968 O GLU A 62 -8.065 10.410 -4.773 1.00 2.66 O ATOM 969 CB GLU A 62 -8.096 11.036 -1.624 1.00 1.77 C ATOM 970 CG GLU A 62 -9.409 10.964 -0.836 1.00 1.91 C ATOM 971 CD GLU A 62 -10.259 12.217 -1.033 1.00 3.23 C ATOM 972 OE1 GLU A 62 -10.196 13.103 -0.154 1.00 3.93 O ATOM 973 OE2 GLU A 62 -10.959 12.264 -2.069 1.00 4.38 O ATOM 0 H GLU A 62 -5.898 10.390 -2.452 1.00 0.88 H new ATOM 0 HA GLU A 62 -8.287 8.924 -1.916 1.00 1.10 H new ATOM 0 HB2 GLU A 62 -7.261 11.156 -0.934 1.00 1.77 H new ATOM 0 HB3 GLU A 62 -8.104 11.914 -2.271 1.00 1.77 H new ATOM 0 HG2 GLU A 62 -9.975 10.088 -1.152 1.00 1.91 H new ATOM 0 HG3 GLU A 62 -9.190 10.837 0.224 1.00 1.91 H new ATOM 980 N ALA A 63 -9.856 9.396 -3.884 1.00 2.54 N ATOM 981 CA ALA A 63 -10.608 9.378 -5.127 1.00 3.67 C ATOM 982 C ALA A 63 -12.072 9.677 -4.819 1.00 4.19 C ATOM 983 O ALA A 63 -12.961 8.961 -5.275 1.00 5.13 O ATOM 984 CB ALA A 63 -10.425 8.012 -5.801 1.00 4.46 C ATOM 0 H ALA A 63 -10.359 9.006 -3.087 1.00 2.54 H new ATOM 0 HA ALA A 63 -10.247 10.140 -5.818 1.00 3.67 H new ATOM 0 HB1 ALA A 63 -10.986 7.989 -6.735 1.00 4.46 H new ATOM 0 HB2 ALA A 63 -9.368 7.847 -6.009 1.00 4.46 H new ATOM 0 HB3 ALA A 63 -10.791 7.228 -5.139 1.00 4.46 H new ATOM 990 N GLN A 64 -12.304 10.737 -4.040 1.00 4.00 N ATOM 991 CA GLN A 64 -13.576 11.041 -3.403 1.00 4.51 C ATOM 992 C GLN A 64 -13.912 9.936 -2.388 1.00 4.96 C ATOM 993 O GLN A 64 -13.145 8.989 -2.222 1.00 5.45 O ATOM 994 CB GLN A 64 -14.633 11.319 -4.497 1.00 5.63 C ATOM 995 CG GLN A 64 -15.861 12.137 -4.062 1.00 6.39 C ATOM 996 CD GLN A 64 -17.060 11.281 -3.651 1.00 7.05 C ATOM 997 OE1 GLN A 64 -17.367 10.269 -4.262 1.00 7.43 O ATOM 998 NE2 GLN A 64 -17.759 11.665 -2.592 1.00 7.64 N ATOM 0 H GLN A 64 -11.583 11.427 -3.832 1.00 4.00 H new ATOM 0 HA GLN A 64 -13.542 11.955 -2.810 1.00 4.51 H new ATOM 0 HB2 GLN A 64 -14.146 11.843 -5.319 1.00 5.63 H new ATOM 0 HB3 GLN A 64 -14.980 10.363 -4.890 1.00 5.63 H new ATOM 0 HG2 GLN A 64 -15.581 12.778 -3.226 1.00 6.39 H new ATOM 0 HG3 GLN A 64 -16.158 12.792 -4.881 1.00 6.39 H new ATOM 0 HE21 GLN A 64 -17.496 12.511 -2.087 1.00 7.64 H new ATOM 0 HE22 GLN A 64 -18.560 11.114 -2.282 1.00 7.64 H new ATOM 1007 N LEU A 65 -15.036 10.082 -1.677 1.00 5.46 N ATOM 1008 CA LEU A 65 -15.576 9.129 -0.707 1.00 6.43 C ATOM 1009 C LEU A 65 -14.501 8.538 0.220 1.00 6.66 C ATOM 1010 O LEU A 65 -14.129 7.374 0.078 1.00 7.59 O ATOM 1011 CB LEU A 65 -16.363 8.041 -1.454 1.00 7.73 C ATOM 1012 CG LEU A 65 -17.296 7.267 -0.508 1.00 8.90 C ATOM 1013 CD1 LEU A 65 -18.594 8.051 -0.278 1.00 9.39 C ATOM 1014 CD2 LEU A 65 -17.645 5.910 -1.119 1.00 10.52 C ATOM 0 H LEU A 65 -15.622 10.912 -1.769 1.00 5.46 H new ATOM 0 HA LEU A 65 -16.253 9.666 -0.042 1.00 6.43 H new ATOM 0 HB2 LEU A 65 -16.950 8.498 -2.251 1.00 7.73 H new ATOM 0 HB3 LEU A 65 -15.667 7.348 -1.927 1.00 7.73 H new ATOM 0 HG LEU A 65 -16.782 7.128 0.443 1.00 8.90 H new ATOM 0 HD11 LEU A 65 -19.244 7.490 0.394 1.00 9.39 H new ATOM 0 HD12 LEU A 65 -18.361 9.018 0.167 1.00 9.39 H new ATOM 0 HD13 LEU A 65 -19.101 8.203 -1.231 1.00 9.39 H new ATOM 0 HD21 LEU A 65 -18.306 5.366 -0.444 1.00 10.52 H new ATOM 0 HD22 LEU A 65 -18.146 6.060 -2.075 1.00 10.52 H new ATOM 0 HD23 LEU A 65 -16.732 5.335 -1.274 1.00 10.52 H new ATOM 1026 N PRO A 66 -14.012 9.317 1.194 1.00 6.55 N ATOM 1027 CA PRO A 66 -12.981 8.861 2.112 1.00 7.43 C ATOM 1028 C PRO A 66 -13.517 7.748 3.020 1.00 8.25 C ATOM 1029 O PRO A 66 -14.729 7.616 3.194 1.00 8.32 O ATOM 1030 CB PRO A 66 -12.571 10.108 2.903 1.00 7.68 C ATOM 1031 CG PRO A 66 -13.834 10.968 2.883 1.00 7.18 C ATOM 1032 CD PRO A 66 -14.429 10.673 1.508 1.00 6.39 C ATOM 0 HA PRO A 66 -12.125 8.427 1.596 1.00 7.43 H new ATOM 0 HB2 PRO A 66 -12.271 9.858 3.921 1.00 7.68 H new ATOM 0 HB3 PRO A 66 -11.728 10.620 2.438 1.00 7.68 H new ATOM 0 HG2 PRO A 66 -14.520 10.697 3.686 1.00 7.18 H new ATOM 0 HG3 PRO A 66 -13.604 12.026 3.004 1.00 7.18 H new ATOM 0 HD2 PRO A 66 -15.516 10.757 1.523 1.00 6.39 H new ATOM 0 HD3 PRO A 66 -14.065 11.379 0.762 1.00 6.39 H new ATOM 1040 N SER A 67 -12.613 6.954 3.605 1.00 9.30 N ATOM 1041 CA SER A 67 -12.971 5.871 4.512 1.00 10.52 C ATOM 1042 C SER A 67 -13.854 6.388 5.647 1.00 10.62 C ATOM 1043 O SER A 67 -13.596 7.451 6.212 1.00 10.24 O ATOM 1044 CB SER A 67 -11.699 5.228 5.068 1.00 11.25 C ATOM 1045 OG SER A 67 -10.874 4.793 4.003 1.00 12.31 O ATOM 0 H SER A 67 -11.608 7.050 3.458 1.00 9.30 H new ATOM 0 HA SER A 67 -13.538 5.120 3.962 1.00 10.52 H new ATOM 0 HB2 SER A 67 -11.160 5.944 5.688 1.00 11.25 H new ATOM 0 HB3 SER A 67 -11.957 4.384 5.708 1.00 11.25 H new ATOM 0 HG SER A 67 -10.061 4.384 4.365 1.00 12.31 H new ATOM 1051 N GLU A 68 -14.913 5.643 5.965 1.00 11.57 N ATOM 1052 CA GLU A 68 -15.964 6.083 6.869 1.00 12.07 C ATOM 1053 C GLU A 68 -15.590 5.687 8.302 1.00 12.72 C ATOM 1054 O GLU A 68 -16.250 4.852 8.919 1.00 13.79 O ATOM 1055 CB GLU A 68 -17.294 5.467 6.388 1.00 12.90 C ATOM 1056 CG GLU A 68 -18.500 6.389 6.596 1.00 13.25 C ATOM 1057 CD GLU A 68 -18.661 6.886 8.034 1.00 13.50 C ATOM 1058 OE1 GLU A 68 -19.654 6.476 8.678 1.00 14.46 O ATOM 1059 OE2 GLU A 68 -17.820 7.721 8.442 1.00 13.02 O ATOM 0 H GLU A 68 -15.062 4.705 5.594 1.00 11.57 H new ATOM 0 HA GLU A 68 -16.082 7.167 6.867 1.00 12.07 H new ATOM 0 HB2 GLU A 68 -17.211 5.222 5.329 1.00 12.90 H new ATOM 0 HB3 GLU A 68 -17.466 4.531 6.919 1.00 12.90 H new ATOM 0 HG2 GLU A 68 -18.406 7.249 5.933 1.00 13.25 H new ATOM 0 HG3 GLU A 68 -19.405 5.858 6.302 1.00 13.25 H new ATOM 1066 N SER A 69 -14.496 6.266 8.812 1.00 12.28 N ATOM 1067 CA SER A 69 -13.759 5.690 9.936 1.00 13.17 C ATOM 1068 C SER A 69 -13.482 4.206 9.684 1.00 14.35 C ATOM 1069 O SER A 69 -13.480 3.448 10.679 1.00 15.27 O ATOM 1070 CB SER A 69 -14.513 5.945 11.242 1.00 13.32 C ATOM 1071 OG SER A 69 -14.536 7.338 11.479 1.00 12.67 O ATOM 1072 OXT SER A 69 -13.231 3.875 8.503 1.00 14.61 O ATOM 0 H SER A 69 -14.102 7.138 8.459 1.00 12.28 H new ATOM 0 HA SER A 69 -12.788 6.177 10.030 1.00 13.17 H new ATOM 0 HB2 SER A 69 -15.529 5.555 11.176 1.00 13.32 H new ATOM 0 HB3 SER A 69 -14.026 5.428 12.068 1.00 13.32 H new ATOM 0 HG SER A 69 -15.018 7.520 12.313 1.00 12.67 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.969 -4.496 6.738 1.00 0.70 ZN HETATM 1080 ZN ZN A 102 2.392 4.802 -6.004 1.00 1.25 ZN