USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 522 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 169:sc= 0 (180deg=-0.0605) 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 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot -29:sc= 0.866 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0.539 (180deg=0.507) USER MOD Single : A 18 THR OG1 : rot -36:sc= 0.0259 USER MOD Single : A 22 SER OG : rot 70:sc= 0.73 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.462 X(o=0.46,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.795 USER MOD Single : A 51 ASN : amide:sc= -0.66 K(o=-0.66,f=-2.8!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.102) USER MOD Single : A 64 GLN : amide:sc= 0.0833 K(o=0.083,f=-1.7) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0364 USER MOD Single : A 69 SER OG : rot 39:sc= 0.575 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.441 24.214 -27.487 1.00 29.34 N ATOM 2 CA MET A 1 -13.674 23.921 -28.712 1.00 30.17 C ATOM 3 C MET A 1 -12.973 22.579 -28.578 1.00 30.16 C ATOM 4 O MET A 1 -13.587 21.576 -28.916 1.00 31.01 O ATOM 5 CB MET A 1 -12.714 25.046 -29.113 1.00 30.42 C ATOM 6 CG MET A 1 -13.494 26.233 -29.684 1.00 30.73 C ATOM 7 SD MET A 1 -12.540 27.271 -30.820 1.00 31.71 S ATOM 8 CE MET A 1 -12.518 26.196 -32.283 1.00 33.07 C ATOM 0 H1 MET A 1 -14.917 25.133 -27.587 1.00 29.34 H new ATOM 0 H2 MET A 1 -15.152 23.470 -27.336 1.00 29.34 H new ATOM 0 H3 MET A 1 -13.795 24.245 -26.672 1.00 29.34 H new ATOM 0 HA MET A 1 -14.385 23.858 -29.536 1.00 30.17 H new ATOM 0 HB2 MET A 1 -12.135 25.366 -28.246 1.00 30.42 H new ATOM 0 HB3 MET A 1 -12.003 24.680 -29.853 1.00 30.42 H new ATOM 0 HG2 MET A 1 -14.375 25.858 -30.205 1.00 30.73 H new ATOM 0 HG3 MET A 1 -13.851 26.850 -28.859 1.00 30.73 H new ATOM 0 HE1 MET A 1 -12.142 26.755 -33.140 1.00 33.07 H new ATOM 0 HE2 MET A 1 -11.870 25.340 -32.096 1.00 33.07 H new ATOM 0 HE3 MET A 1 -13.529 25.847 -32.493 1.00 33.07 H new ATOM 20 N LYS A 2 -11.731 22.525 -28.082 1.00 29.35 N ATOM 21 CA LYS A 2 -10.980 21.276 -28.043 1.00 29.47 C ATOM 22 C LYS A 2 -10.283 21.156 -26.692 1.00 28.05 C ATOM 23 O LYS A 2 -9.089 21.412 -26.575 1.00 27.97 O ATOM 24 CB LYS A 2 -10.018 21.232 -29.242 1.00 30.34 C ATOM 25 CG LYS A 2 -9.571 19.795 -29.537 1.00 31.27 C ATOM 26 CD LYS A 2 -8.748 19.715 -30.830 1.00 32.52 C ATOM 27 CE LYS A 2 -7.343 20.289 -30.626 1.00 32.39 C ATOM 28 NZ LYS A 2 -6.541 20.227 -31.868 1.00 33.58 N ATOM 0 H LYS A 2 -11.231 23.330 -27.705 1.00 29.35 H new ATOM 0 HA LYS A 2 -11.636 20.410 -28.135 1.00 29.47 H new ATOM 0 HB2 LYS A 2 -10.507 21.652 -30.121 1.00 30.34 H new ATOM 0 HB3 LYS A 2 -9.146 21.853 -29.036 1.00 30.34 H new ATOM 0 HG2 LYS A 2 -8.978 19.419 -28.703 1.00 31.27 H new ATOM 0 HG3 LYS A 2 -10.446 19.151 -29.621 1.00 31.27 H new ATOM 0 HD2 LYS A 2 -8.676 18.677 -31.155 1.00 32.52 H new ATOM 0 HD3 LYS A 2 -9.257 20.263 -31.623 1.00 32.52 H new ATOM 0 HE2 LYS A 2 -7.418 21.324 -30.292 1.00 32.39 H new ATOM 0 HE3 LYS A 2 -6.835 19.735 -29.837 1.00 32.39 H new ATOM 0 HZ1 LYS A 2 -5.596 20.624 -31.691 1.00 33.58 H new ATOM 0 HZ2 LYS A 2 -6.449 19.237 -32.173 1.00 33.58 H new ATOM 0 HZ3 LYS A 2 -7.014 20.776 -32.614 1.00 33.58 H new ATOM 42 N GLN A 3 -11.065 20.824 -25.666 1.00 27.04 N ATOM 43 CA GLN A 3 -10.636 20.625 -24.290 1.00 25.66 C ATOM 44 C GLN A 3 -11.728 19.810 -23.598 1.00 24.76 C ATOM 45 O GLN A 3 -12.836 19.715 -24.125 1.00 25.19 O ATOM 46 CB GLN A 3 -10.444 21.982 -23.590 1.00 24.98 C ATOM 47 CG GLN A 3 -8.963 22.239 -23.300 1.00 24.90 C ATOM 48 CD GLN A 3 -8.743 23.673 -22.832 1.00 24.34 C ATOM 49 OE1 GLN A 3 -9.215 24.075 -21.777 1.00 23.56 O ATOM 50 NE2 GLN A 3 -8.039 24.481 -23.614 1.00 24.91 N ATOM 0 H GLN A 3 -12.068 20.680 -25.783 1.00 27.04 H new ATOM 0 HA GLN A 3 -9.681 20.101 -24.249 1.00 25.66 H new ATOM 0 HB2 GLN A 3 -10.840 22.780 -24.218 1.00 24.98 H new ATOM 0 HB3 GLN A 3 -11.010 21.999 -22.659 1.00 24.98 H new ATOM 0 HG2 GLN A 3 -8.612 21.545 -22.537 1.00 24.90 H new ATOM 0 HG3 GLN A 3 -8.374 22.050 -24.198 1.00 24.90 H new ATOM 0 HE21 GLN A 3 -7.651 24.132 -24.491 1.00 24.91 H new ATOM 0 HE22 GLN A 3 -7.885 25.451 -23.339 1.00 24.91 H new ATOM 59 N ASP A 4 -11.425 19.236 -22.435 1.00 23.67 N ATOM 60 CA ASP A 4 -12.368 18.445 -21.655 1.00 22.79 C ATOM 61 C ASP A 4 -11.939 18.529 -20.188 1.00 21.29 C ATOM 62 O ASP A 4 -10.858 19.049 -19.906 1.00 21.19 O ATOM 63 CB ASP A 4 -12.358 16.996 -22.168 1.00 23.76 C ATOM 64 CG ASP A 4 -13.628 16.234 -21.801 1.00 23.97 C ATOM 65 OD1 ASP A 4 -13.748 15.080 -22.265 1.00 24.82 O ATOM 66 OD2 ASP A 4 -14.464 16.819 -21.076 1.00 23.50 O ATOM 0 H ASP A 4 -10.503 19.310 -22.004 1.00 23.67 H new ATOM 0 HA ASP A 4 -13.386 18.821 -21.752 1.00 22.79 H new ATOM 0 HB2 ASP A 4 -12.241 16.999 -23.252 1.00 23.76 H new ATOM 0 HB3 ASP A 4 -11.494 16.475 -21.756 1.00 23.76 H new ATOM 71 N GLY A 5 -12.745 18.038 -19.244 1.00 20.26 N ATOM 72 CA GLY A 5 -12.382 18.053 -17.839 1.00 18.90 C ATOM 73 C GLY A 5 -13.463 17.409 -16.981 1.00 17.98 C ATOM 74 O GLY A 5 -13.192 16.425 -16.301 1.00 18.25 O ATOM 0 H GLY A 5 -13.657 17.624 -19.436 1.00 20.26 H new ATOM 0 HA2 GLY A 5 -11.440 17.523 -17.699 1.00 18.90 H new ATOM 0 HA3 GLY A 5 -12.221 19.081 -17.514 1.00 18.90 H new ATOM 78 N GLU A 6 -14.673 17.981 -17.011 1.00 17.15 N ATOM 79 CA GLU A 6 -15.772 17.742 -16.073 1.00 16.16 C ATOM 80 C GLU A 6 -15.382 18.036 -14.622 1.00 14.70 C ATOM 81 O GLU A 6 -15.844 19.028 -14.071 1.00 14.51 O ATOM 82 CB GLU A 6 -16.410 16.349 -16.234 1.00 16.84 C ATOM 83 CG GLU A 6 -17.485 16.346 -17.328 1.00 17.99 C ATOM 84 CD GLU A 6 -18.360 15.090 -17.261 1.00 18.77 C ATOM 85 OE1 GLU A 6 -19.592 15.243 -17.421 1.00 19.25 O ATOM 86 OE2 GLU A 6 -17.797 13.997 -17.032 1.00 19.10 O ATOM 0 H GLU A 6 -14.923 18.660 -17.730 1.00 17.15 H new ATOM 0 HA GLU A 6 -16.547 18.461 -16.339 1.00 16.16 H new ATOM 0 HB2 GLU A 6 -15.638 15.620 -16.479 1.00 16.84 H new ATOM 0 HB3 GLU A 6 -16.852 16.038 -15.287 1.00 16.84 H new ATOM 0 HG2 GLU A 6 -18.112 17.232 -17.224 1.00 17.99 H new ATOM 0 HG3 GLU A 6 -17.008 16.405 -18.306 1.00 17.99 H new ATOM 93 N GLU A 7 -14.563 17.178 -14.012 1.00 13.89 N ATOM 94 CA GLU A 7 -14.233 17.176 -12.592 1.00 12.59 C ATOM 95 C GLU A 7 -15.494 16.977 -11.745 1.00 11.54 C ATOM 96 O GLU A 7 -15.992 17.888 -11.088 1.00 11.20 O ATOM 97 CB GLU A 7 -13.398 18.404 -12.198 1.00 12.46 C ATOM 98 CG GLU A 7 -12.604 18.088 -10.922 1.00 11.87 C ATOM 99 CD GLU A 7 -11.923 19.318 -10.313 1.00 12.03 C ATOM 100 OE1 GLU A 7 -11.620 20.261 -11.078 1.00 12.69 O ATOM 101 OE2 GLU A 7 -11.681 19.289 -9.086 1.00 11.85 O ATOM 0 H GLU A 7 -14.091 16.431 -14.522 1.00 13.89 H new ATOM 0 HA GLU A 7 -13.589 16.322 -12.382 1.00 12.59 H new ATOM 0 HB2 GLU A 7 -12.718 18.671 -13.007 1.00 12.46 H new ATOM 0 HB3 GLU A 7 -14.048 19.263 -12.032 1.00 12.46 H new ATOM 0 HG2 GLU A 7 -13.275 17.650 -10.184 1.00 11.87 H new ATOM 0 HG3 GLU A 7 -11.847 17.337 -11.150 1.00 11.87 H new ATOM 108 N GLY A 8 -16.000 15.742 -11.756 1.00 11.33 N ATOM 109 CA GLY A 8 -17.034 15.300 -10.835 1.00 10.59 C ATOM 110 C GLY A 8 -16.386 14.488 -9.719 1.00 9.57 C ATOM 111 O GLY A 8 -15.261 14.787 -9.330 1.00 9.27 O ATOM 0 H GLY A 8 -15.698 15.020 -12.411 1.00 11.33 H new ATOM 0 HA2 GLY A 8 -17.561 16.159 -10.419 1.00 10.59 H new ATOM 0 HA3 GLY A 8 -17.774 14.696 -11.360 1.00 10.59 H new ATOM 115 N THR A 9 -17.096 13.457 -9.250 1.00 9.35 N ATOM 116 CA THR A 9 -16.779 12.658 -8.069 1.00 8.54 C ATOM 117 C THR A 9 -16.638 13.527 -6.812 1.00 6.98 C ATOM 118 O THR A 9 -16.904 14.728 -6.835 1.00 6.84 O ATOM 119 CB THR A 9 -15.614 11.673 -8.314 1.00 9.07 C ATOM 120 OG1 THR A 9 -14.356 12.304 -8.362 1.00 8.71 O ATOM 121 CG2 THR A 9 -15.797 10.885 -9.614 1.00 10.54 C ATOM 0 H THR A 9 -17.951 13.144 -9.710 1.00 9.35 H new ATOM 0 HA THR A 9 -17.633 12.012 -7.868 1.00 8.54 H new ATOM 0 HB THR A 9 -15.637 10.999 -7.458 1.00 9.07 H new ATOM 0 HG1 THR A 9 -14.462 13.221 -8.691 1.00 8.71 H new ATOM 0 HG21 THR A 9 -14.956 10.204 -9.748 1.00 10.54 H new ATOM 0 HG22 THR A 9 -16.723 10.313 -9.565 1.00 10.54 H new ATOM 0 HG23 THR A 9 -15.842 11.576 -10.455 1.00 10.54 H new ATOM 129 N GLU A 10 -16.309 12.905 -5.678 1.00 6.42 N ATOM 130 CA GLU A 10 -16.297 13.569 -4.383 1.00 5.95 C ATOM 131 C GLU A 10 -15.711 12.630 -3.332 1.00 5.62 C ATOM 132 O GLU A 10 -14.838 13.021 -2.564 1.00 5.73 O ATOM 133 CB GLU A 10 -17.710 14.032 -3.974 1.00 7.39 C ATOM 134 CG GLU A 10 -18.828 12.990 -4.170 1.00 8.67 C ATOM 135 CD GLU A 10 -19.850 13.426 -5.219 1.00 9.87 C ATOM 136 OE1 GLU A 10 -20.722 14.250 -4.862 1.00 11.03 O ATOM 137 OE2 GLU A 10 -19.761 12.902 -6.355 1.00 9.96 O ATOM 0 H GLU A 10 -16.043 11.921 -5.637 1.00 6.42 H new ATOM 0 HA GLU A 10 -15.673 14.460 -4.457 1.00 5.95 H new ATOM 0 HB2 GLU A 10 -17.689 14.324 -2.924 1.00 7.39 H new ATOM 0 HB3 GLU A 10 -17.962 14.924 -4.548 1.00 7.39 H new ATOM 0 HG2 GLU A 10 -18.387 12.039 -4.469 1.00 8.67 H new ATOM 0 HG3 GLU A 10 -19.335 12.821 -3.220 1.00 8.67 H new ATOM 144 N GLU A 11 -16.197 11.388 -3.286 1.00 5.72 N ATOM 145 CA GLU A 11 -15.663 10.379 -2.392 1.00 5.63 C ATOM 146 C GLU A 11 -14.272 9.981 -2.886 1.00 4.47 C ATOM 147 O GLU A 11 -14.027 9.928 -4.092 1.00 4.23 O ATOM 148 CB GLU A 11 -16.642 9.201 -2.330 1.00 6.84 C ATOM 149 CG GLU A 11 -16.264 8.210 -1.223 1.00 7.88 C ATOM 150 CD GLU A 11 -17.463 7.343 -0.830 1.00 9.44 C ATOM 151 OE1 GLU A 11 -18.354 7.887 -0.138 1.00 10.24 O ATOM 152 OE2 GLU A 11 -17.483 6.158 -1.226 1.00 10.11 O ATOM 0 H GLU A 11 -16.969 11.062 -3.868 1.00 5.72 H new ATOM 0 HA GLU A 11 -15.553 10.756 -1.375 1.00 5.63 H new ATOM 0 HB2 GLU A 11 -17.651 9.575 -2.156 1.00 6.84 H new ATOM 0 HB3 GLU A 11 -16.654 8.687 -3.291 1.00 6.84 H new ATOM 0 HG2 GLU A 11 -15.447 7.574 -1.563 1.00 7.88 H new ATOM 0 HG3 GLU A 11 -15.903 8.754 -0.350 1.00 7.88 H new ATOM 159 N ASP A 12 -13.352 9.746 -1.950 1.00 4.26 N ATOM 160 CA ASP A 12 -11.939 9.529 -2.186 1.00 3.36 C ATOM 161 C ASP A 12 -11.478 8.565 -1.083 1.00 3.28 C ATOM 162 O ASP A 12 -12.311 8.019 -0.367 1.00 4.60 O ATOM 163 CB ASP A 12 -11.227 10.891 -2.141 1.00 4.44 C ATOM 164 CG ASP A 12 -9.782 10.790 -2.611 1.00 4.47 C ATOM 165 OD1 ASP A 12 -9.594 10.584 -3.825 1.00 4.59 O ATOM 166 OD2 ASP A 12 -8.880 10.811 -1.738 1.00 5.23 O ATOM 0 H ASP A 12 -13.592 9.701 -0.960 1.00 4.26 H new ATOM 0 HA ASP A 12 -11.712 9.093 -3.159 1.00 3.36 H new ATOM 0 HB2 ASP A 12 -11.764 11.603 -2.768 1.00 4.44 H new ATOM 0 HB3 ASP A 12 -11.252 11.281 -1.123 1.00 4.44 H new ATOM 171 N THR A 13 -10.179 8.330 -0.930 1.00 2.91 N ATOM 172 CA THR A 13 -9.566 7.505 0.110 1.00 3.47 C ATOM 173 C THR A 13 -9.635 6.001 -0.147 1.00 3.24 C ATOM 174 O THR A 13 -8.929 5.251 0.523 1.00 4.18 O ATOM 175 CB THR A 13 -10.019 7.927 1.526 1.00 4.51 C ATOM 176 OG1 THR A 13 -8.872 8.008 2.347 1.00 6.16 O ATOM 177 CG2 THR A 13 -11.002 6.989 2.241 1.00 5.05 C ATOM 0 H THR A 13 -9.486 8.731 -1.562 1.00 2.91 H new ATOM 0 HA THR A 13 -8.497 7.713 0.058 1.00 3.47 H new ATOM 0 HB THR A 13 -10.548 8.868 1.377 1.00 4.51 H new ATOM 0 HG1 THR A 13 -9.136 8.276 3.252 1.00 6.16 H new ATOM 0 HG21 THR A 13 -11.243 7.395 3.224 1.00 5.05 H new ATOM 0 HG22 THR A 13 -11.915 6.901 1.652 1.00 5.05 H new ATOM 0 HG23 THR A 13 -10.548 6.005 2.356 1.00 5.05 H new ATOM 185 N GLU A 14 -10.424 5.569 -1.130 1.00 2.28 N ATOM 186 CA GLU A 14 -10.583 4.168 -1.509 1.00 2.34 C ATOM 187 C GLU A 14 -9.239 3.592 -1.944 1.00 2.06 C ATOM 188 O GLU A 14 -8.799 2.551 -1.460 1.00 2.56 O ATOM 189 CB GLU A 14 -11.602 4.068 -2.657 1.00 2.24 C ATOM 190 CG GLU A 14 -13.048 4.052 -2.155 1.00 2.80 C ATOM 191 CD GLU A 14 -13.420 2.670 -1.609 1.00 4.27 C ATOM 192 OE1 GLU A 14 -12.959 2.352 -0.491 1.00 5.40 O ATOM 193 OE2 GLU A 14 -14.126 1.931 -2.332 1.00 4.90 O ATOM 0 H GLU A 14 -10.985 6.202 -1.700 1.00 2.28 H new ATOM 0 HA GLU A 14 -10.945 3.596 -0.655 1.00 2.34 H new ATOM 0 HB2 GLU A 14 -11.465 4.910 -3.335 1.00 2.24 H new ATOM 0 HB3 GLU A 14 -11.410 3.162 -3.232 1.00 2.24 H new ATOM 0 HG2 GLU A 14 -13.175 4.802 -1.375 1.00 2.80 H new ATOM 0 HG3 GLU A 14 -13.723 4.320 -2.968 1.00 2.80 H new ATOM 200 N GLU A 15 -8.578 4.275 -2.878 1.00 1.46 N ATOM 201 CA GLU A 15 -7.359 3.785 -3.493 1.00 1.35 C ATOM 202 C GLU A 15 -6.290 4.873 -3.427 1.00 1.16 C ATOM 203 O GLU A 15 -5.877 5.444 -4.434 1.00 1.22 O ATOM 204 CB GLU A 15 -7.655 3.276 -4.912 1.00 1.21 C ATOM 205 CG GLU A 15 -8.434 4.269 -5.785 1.00 1.81 C ATOM 206 CD GLU A 15 -8.303 3.886 -7.263 1.00 2.43 C ATOM 207 OE1 GLU A 15 -7.811 4.734 -8.040 1.00 3.69 O ATOM 208 OE2 GLU A 15 -8.673 2.736 -7.588 1.00 2.55 O ATOM 0 H GLU A 15 -8.879 5.185 -3.226 1.00 1.46 H new ATOM 0 HA GLU A 15 -6.962 2.928 -2.949 1.00 1.35 H new ATOM 0 HB2 GLU A 15 -6.712 3.038 -5.405 1.00 1.21 H new ATOM 0 HB3 GLU A 15 -8.222 2.348 -4.842 1.00 1.21 H new ATOM 0 HG2 GLU A 15 -9.485 4.274 -5.494 1.00 1.81 H new ATOM 0 HG3 GLU A 15 -8.055 5.279 -5.628 1.00 1.81 H new ATOM 215 N LYS A 16 -5.807 5.150 -2.214 1.00 1.03 N ATOM 216 CA LYS A 16 -4.705 6.067 -2.009 1.00 0.97 C ATOM 217 C LYS A 16 -3.476 5.262 -1.616 1.00 1.10 C ATOM 218 O LYS A 16 -3.514 4.475 -0.670 1.00 1.27 O ATOM 219 CB LYS A 16 -5.093 7.115 -0.957 1.00 0.99 C ATOM 220 CG LYS A 16 -3.948 8.099 -0.731 1.00 2.51 C ATOM 221 CD LYS A 16 -4.377 9.362 0.026 1.00 2.27 C ATOM 222 CE LYS A 16 -4.976 10.396 -0.937 1.00 2.09 C ATOM 223 NZ LYS A 16 -4.792 11.777 -0.443 1.00 2.99 N ATOM 0 H LYS A 16 -6.174 4.742 -1.354 1.00 1.03 H new ATOM 0 HA LYS A 16 -4.471 6.613 -2.923 1.00 0.97 H new ATOM 0 HB2 LYS A 16 -5.983 7.653 -1.283 1.00 0.99 H new ATOM 0 HB3 LYS A 16 -5.345 6.620 -0.019 1.00 0.99 H new ATOM 0 HG2 LYS A 16 -3.154 7.601 -0.174 1.00 2.51 H new ATOM 0 HG3 LYS A 16 -3.529 8.386 -1.695 1.00 2.51 H new ATOM 0 HD2 LYS A 16 -5.110 9.102 0.790 1.00 2.27 H new ATOM 0 HD3 LYS A 16 -3.518 9.792 0.541 1.00 2.27 H new ATOM 0 HE2 LYS A 16 -4.508 10.295 -1.916 1.00 2.09 H new ATOM 0 HE3 LYS A 16 -6.039 10.196 -1.070 1.00 2.09 H new ATOM 0 HZ1 LYS A 16 -5.324 12.435 -1.047 1.00 2.99 H new ATOM 0 HZ2 LYS A 16 -5.140 11.845 0.535 1.00 2.99 H new ATOM 0 HZ3 LYS A 16 -3.782 12.023 -0.469 1.00 2.99 H new ATOM 237 N CYS A 17 -2.376 5.512 -2.323 1.00 1.09 N ATOM 238 CA CYS A 17 -1.027 5.132 -1.940 1.00 1.25 C ATOM 239 C CYS A 17 -0.797 5.788 -0.584 1.00 1.26 C ATOM 240 O CYS A 17 -0.384 6.938 -0.542 1.00 1.48 O ATOM 241 CB CYS A 17 -0.090 5.746 -3.003 1.00 1.25 C ATOM 242 SG CYS A 17 1.703 5.401 -2.791 1.00 1.56 S ATOM 0 H CYS A 17 -2.407 6.006 -3.215 1.00 1.09 H new ATOM 0 HA CYS A 17 -0.858 4.057 -1.879 1.00 1.25 H new ATOM 0 HB2 CYS A 17 -0.397 5.381 -3.983 1.00 1.25 H new ATOM 0 HB3 CYS A 17 -0.234 6.826 -3.005 1.00 1.25 H new ATOM 247 N THR A 18 -1.102 5.133 0.538 1.00 1.06 N ATOM 248 CA THR A 18 -1.009 5.829 1.821 1.00 1.12 C ATOM 249 C THR A 18 0.437 6.169 2.175 1.00 0.91 C ATOM 250 O THR A 18 0.671 7.026 3.019 1.00 1.01 O ATOM 251 CB THR A 18 -1.691 5.050 2.944 1.00 1.23 C ATOM 252 OG1 THR A 18 -2.000 5.924 4.007 1.00 1.47 O ATOM 253 CG2 THR A 18 -0.791 3.943 3.479 1.00 1.06 C ATOM 0 H THR A 18 -1.404 4.160 0.587 1.00 1.06 H new ATOM 0 HA THR A 18 -1.548 6.770 1.710 1.00 1.12 H new ATOM 0 HB THR A 18 -2.597 4.603 2.535 1.00 1.23 H new ATOM 0 HG1 THR A 18 -1.288 6.591 4.100 1.00 1.47 H new ATOM 0 HG21 THR A 18 -1.307 3.408 4.277 1.00 1.06 H new ATOM 0 HG22 THR A 18 -0.550 3.249 2.674 1.00 1.06 H new ATOM 0 HG23 THR A 18 0.129 4.379 3.870 1.00 1.06 H new ATOM 261 N ILE A 19 1.397 5.477 1.560 1.00 0.68 N ATOM 262 CA ILE A 19 2.818 5.721 1.697 1.00 0.65 C ATOM 263 C ILE A 19 3.148 7.105 1.136 1.00 0.67 C ATOM 264 O ILE A 19 3.872 7.882 1.750 1.00 0.81 O ATOM 265 CB ILE A 19 3.528 4.598 0.930 1.00 0.64 C ATOM 266 CG1 ILE A 19 3.393 3.274 1.701 1.00 0.68 C ATOM 267 CG2 ILE A 19 4.999 4.919 0.687 1.00 0.66 C ATOM 268 CD1 ILE A 19 3.177 2.123 0.724 1.00 0.77 C ATOM 0 H ILE A 19 1.189 4.702 0.930 1.00 0.68 H new ATOM 0 HA ILE A 19 3.145 5.716 2.737 1.00 0.65 H new ATOM 0 HB ILE A 19 3.049 4.503 -0.044 1.00 0.64 H new ATOM 0 HG12 ILE A 19 4.290 3.095 2.294 1.00 0.68 H new ATOM 0 HG13 ILE A 19 2.557 3.333 2.398 1.00 0.68 H new ATOM 0 HG21 ILE A 19 5.465 4.099 0.141 1.00 0.66 H new ATOM 0 HG22 ILE A 19 5.080 5.836 0.103 1.00 0.66 H new ATOM 0 HG23 ILE A 19 5.505 5.052 1.643 1.00 0.66 H new ATOM 0 HD11 ILE A 19 3.082 1.189 1.278 1.00 0.77 H new ATOM 0 HD12 ILE A 19 2.267 2.299 0.150 1.00 0.77 H new ATOM 0 HD13 ILE A 19 4.027 2.058 0.045 1.00 0.77 H new ATOM 280 N CYS A 20 2.620 7.386 -0.054 1.00 0.60 N ATOM 281 CA CYS A 20 2.890 8.575 -0.853 1.00 0.70 C ATOM 282 C CYS A 20 1.733 9.578 -0.718 1.00 0.85 C ATOM 283 O CYS A 20 1.755 10.640 -1.337 1.00 1.01 O ATOM 284 CB CYS A 20 3.086 8.143 -2.326 1.00 0.85 C ATOM 285 SG CYS A 20 2.516 6.440 -2.672 1.00 1.16 S ATOM 0 H CYS A 20 1.958 6.756 -0.508 1.00 0.60 H new ATOM 0 HA CYS A 20 3.796 9.069 -0.500 1.00 0.70 H new ATOM 0 HB2 CYS A 20 2.548 8.836 -2.974 1.00 0.85 H new ATOM 0 HB3 CYS A 20 4.143 8.222 -2.582 1.00 0.85 H new ATOM 290 N LEU A 21 0.714 9.232 0.070 1.00 0.88 N ATOM 291 CA LEU A 21 -0.549 9.927 0.309 1.00 0.97 C ATOM 292 C LEU A 21 -1.172 10.516 -0.961 1.00 0.99 C ATOM 293 O LEU A 21 -1.899 11.511 -0.900 1.00 1.06 O ATOM 294 CB LEU A 21 -0.356 10.953 1.435 1.00 1.07 C ATOM 295 CG LEU A 21 0.005 10.270 2.764 1.00 1.09 C ATOM 296 CD1 LEU A 21 0.500 11.313 3.759 1.00 1.22 C ATOM 297 CD2 LEU A 21 -1.201 9.548 3.374 1.00 1.11 C ATOM 0 H LEU A 21 0.759 8.369 0.612 1.00 0.88 H new ATOM 0 HA LEU A 21 -1.288 9.196 0.637 1.00 0.97 H new ATOM 0 HB2 LEU A 21 0.432 11.654 1.159 1.00 1.07 H new ATOM 0 HB3 LEU A 21 -1.270 11.534 1.560 1.00 1.07 H new ATOM 0 HG LEU A 21 0.783 9.536 2.556 1.00 1.09 H new ATOM 0 HD11 LEU A 21 0.755 10.826 4.700 1.00 1.22 H new ATOM 0 HD12 LEU A 21 1.383 11.810 3.357 1.00 1.22 H new ATOM 0 HD13 LEU A 21 -0.283 12.051 3.933 1.00 1.22 H new ATOM 0 HD21 LEU A 21 -0.907 9.077 4.312 1.00 1.11 H new ATOM 0 HD22 LEU A 21 -1.998 10.267 3.563 1.00 1.11 H new ATOM 0 HD23 LEU A 21 -1.557 8.785 2.681 1.00 1.11 H new ATOM 309 N SER A 22 -0.985 9.843 -2.097 1.00 1.07 N ATOM 310 CA SER A 22 -1.446 10.288 -3.405 1.00 1.13 C ATOM 311 C SER A 22 -2.384 9.238 -3.984 1.00 1.11 C ATOM 312 O SER A 22 -2.163 8.044 -3.798 1.00 1.17 O ATOM 313 CB SER A 22 -0.240 10.499 -4.319 1.00 1.15 C ATOM 314 OG SER A 22 0.561 11.551 -3.824 1.00 1.77 O ATOM 0 H SER A 22 -0.495 8.949 -2.129 1.00 1.07 H new ATOM 0 HA SER A 22 -1.985 11.231 -3.316 1.00 1.13 H new ATOM 0 HB2 SER A 22 0.346 9.582 -4.380 1.00 1.15 H new ATOM 0 HB3 SER A 22 -0.575 10.730 -5.330 1.00 1.15 H new ATOM 0 HG SER A 22 1.004 11.264 -2.998 1.00 1.77 H new ATOM 320 N ILE A 23 -3.466 9.662 -4.637 1.00 1.04 N ATOM 321 CA ILE A 23 -4.417 8.744 -5.225 1.00 0.99 C ATOM 322 C ILE A 23 -3.774 8.002 -6.392 1.00 0.99 C ATOM 323 O ILE A 23 -2.815 8.472 -7.005 1.00 1.07 O ATOM 324 CB ILE A 23 -5.680 9.531 -5.606 1.00 0.88 C ATOM 325 CG1 ILE A 23 -6.480 9.848 -4.334 1.00 1.00 C ATOM 326 CG2 ILE A 23 -6.572 8.855 -6.647 1.00 0.93 C ATOM 327 CD1 ILE A 23 -7.224 8.631 -3.769 1.00 1.88 C ATOM 0 H ILE A 23 -3.699 10.646 -4.768 1.00 1.04 H new ATOM 0 HA ILE A 23 -4.717 7.972 -4.516 1.00 0.99 H new ATOM 0 HB ILE A 23 -5.335 10.445 -6.089 1.00 0.88 H new ATOM 0 HG12 ILE A 23 -5.802 10.237 -3.574 1.00 1.00 H new ATOM 0 HG13 ILE A 23 -7.200 10.637 -4.552 1.00 1.00 H new ATOM 0 HG21 ILE A 23 -7.437 9.486 -6.850 1.00 0.93 H new ATOM 0 HG22 ILE A 23 -6.008 8.705 -7.568 1.00 0.93 H new ATOM 0 HG23 ILE A 23 -6.908 7.890 -6.267 1.00 0.93 H new ATOM 0 HD11 ILE A 23 -7.769 8.922 -2.871 1.00 1.88 H new ATOM 0 HD12 ILE A 23 -7.926 8.255 -4.514 1.00 1.88 H new ATOM 0 HD13 ILE A 23 -6.506 7.849 -3.520 1.00 1.88 H new ATOM 339 N LEU A 24 -4.303 6.807 -6.626 1.00 0.94 N ATOM 340 CA LEU A 24 -3.922 5.873 -7.662 1.00 0.90 C ATOM 341 C LEU A 24 -4.801 6.126 -8.891 1.00 0.88 C ATOM 342 O LEU A 24 -5.321 7.224 -9.068 1.00 0.91 O ATOM 343 CB LEU A 24 -4.117 4.468 -7.065 1.00 0.89 C ATOM 344 CG LEU A 24 -3.272 4.281 -5.792 1.00 0.95 C ATOM 345 CD1 LEU A 24 -3.594 2.966 -5.094 1.00 1.03 C ATOM 346 CD2 LEU A 24 -1.802 4.298 -6.173 1.00 0.99 C ATOM 0 H LEU A 24 -5.064 6.446 -6.051 1.00 0.94 H new ATOM 0 HA LEU A 24 -2.887 5.982 -7.986 1.00 0.90 H new ATOM 0 HB2 LEU A 24 -5.170 4.312 -6.831 1.00 0.89 H new ATOM 0 HB3 LEU A 24 -3.839 3.715 -7.803 1.00 0.89 H new ATOM 0 HG LEU A 24 -3.503 5.093 -5.103 1.00 0.95 H new ATOM 0 HD11 LEU A 24 -2.978 2.868 -4.200 1.00 1.03 H new ATOM 0 HD12 LEU A 24 -4.647 2.952 -4.813 1.00 1.03 H new ATOM 0 HD13 LEU A 24 -3.387 2.136 -5.769 1.00 1.03 H new ATOM 0 HD21 LEU A 24 -1.193 4.166 -5.279 1.00 0.99 H new ATOM 0 HD22 LEU A 24 -1.598 3.488 -6.873 1.00 0.99 H new ATOM 0 HD23 LEU A 24 -1.558 5.252 -6.641 1.00 0.99 H new ATOM 358 N GLU A 25 -4.956 5.132 -9.758 1.00 0.89 N ATOM 359 CA GLU A 25 -5.953 5.162 -10.811 1.00 0.92 C ATOM 360 C GLU A 25 -6.305 3.738 -11.242 1.00 0.98 C ATOM 361 O GLU A 25 -5.697 2.766 -10.785 1.00 1.02 O ATOM 362 CB GLU A 25 -5.460 6.007 -11.995 1.00 0.90 C ATOM 363 CG GLU A 25 -4.274 5.394 -12.747 1.00 0.94 C ATOM 364 CD GLU A 25 -3.856 6.282 -13.925 1.00 1.02 C ATOM 365 OE1 GLU A 25 -3.430 7.429 -13.661 1.00 2.08 O ATOM 366 OE2 GLU A 25 -3.986 5.819 -15.080 1.00 2.09 O ATOM 0 H GLU A 25 -4.391 4.283 -9.747 1.00 0.89 H new ATOM 0 HA GLU A 25 -6.860 5.631 -10.430 1.00 0.92 H new ATOM 0 HB2 GLU A 25 -6.284 6.151 -12.693 1.00 0.90 H new ATOM 0 HB3 GLU A 25 -5.175 6.994 -11.630 1.00 0.90 H new ATOM 0 HG2 GLU A 25 -3.433 5.267 -12.066 1.00 0.94 H new ATOM 0 HG3 GLU A 25 -4.542 4.402 -13.111 1.00 0.94 H new ATOM 373 N GLU A 26 -7.282 3.611 -12.143 1.00 1.05 N ATOM 374 CA GLU A 26 -7.767 2.318 -12.590 1.00 1.05 C ATOM 375 C GLU A 26 -6.664 1.554 -13.319 1.00 1.01 C ATOM 376 O GLU A 26 -6.124 2.026 -14.315 1.00 1.30 O ATOM 377 CB GLU A 26 -8.994 2.507 -13.496 1.00 1.34 C ATOM 378 CG GLU A 26 -9.605 1.157 -13.898 1.00 1.31 C ATOM 379 CD GLU A 26 -10.808 1.336 -14.827 1.00 2.25 C ATOM 380 OE1 GLU A 26 -11.918 1.560 -14.295 1.00 2.55 O ATOM 381 OE2 GLU A 26 -10.607 1.234 -16.058 1.00 3.69 O ATOM 0 H GLU A 26 -7.753 4.404 -12.578 1.00 1.05 H new ATOM 0 HA GLU A 26 -8.063 1.730 -11.721 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -9.742 3.107 -12.978 1.00 1.34 H new ATOM 0 HB3 GLU A 26 -8.706 3.059 -14.391 1.00 1.34 H new ATOM 0 HG2 GLU A 26 -8.849 0.548 -14.394 1.00 1.31 H new ATOM 0 HG3 GLU A 26 -9.913 0.616 -13.003 1.00 1.31 H new ATOM 388 N GLY A 27 -6.348 0.348 -12.843 1.00 1.04 N ATOM 389 CA GLY A 27 -5.383 -0.513 -13.510 1.00 1.23 C ATOM 390 C GLY A 27 -3.942 -0.061 -13.286 1.00 1.08 C ATOM 391 O GLY A 27 -3.049 -0.530 -13.989 1.00 1.30 O ATOM 0 H GLY A 27 -6.751 -0.051 -11.995 1.00 1.04 H new ATOM 0 HA2 GLY A 27 -5.500 -1.534 -13.147 1.00 1.23 H new ATOM 0 HA3 GLY A 27 -5.593 -0.529 -14.579 1.00 1.23 H new ATOM 395 N GLU A 28 -3.705 0.821 -12.313 1.00 0.88 N ATOM 396 CA GLU A 28 -2.371 1.270 -11.957 1.00 0.76 C ATOM 397 C GLU A 28 -1.533 0.103 -11.435 1.00 0.67 C ATOM 398 O GLU A 28 -2.049 -0.899 -10.935 1.00 0.67 O ATOM 399 CB GLU A 28 -2.519 2.374 -10.901 1.00 0.77 C ATOM 400 CG GLU A 28 -1.251 2.955 -10.263 1.00 1.23 C ATOM 401 CD GLU A 28 -0.316 3.652 -11.248 1.00 1.97 C ATOM 402 OE1 GLU A 28 -0.045 3.049 -12.305 1.00 3.73 O ATOM 403 OE2 GLU A 28 0.177 4.742 -10.877 1.00 2.24 O ATOM 0 H GLU A 28 -4.443 1.243 -11.750 1.00 0.88 H new ATOM 0 HA GLU A 28 -1.851 1.664 -12.830 1.00 0.76 H new ATOM 0 HB2 GLU A 28 -3.067 3.198 -11.358 1.00 0.77 H new ATOM 0 HB3 GLU A 28 -3.144 1.982 -10.098 1.00 0.77 H new ATOM 0 HG2 GLU A 28 -1.541 3.666 -9.489 1.00 1.23 H new ATOM 0 HG3 GLU A 28 -0.706 2.151 -9.769 1.00 1.23 H new ATOM 410 N ASP A 29 -0.217 0.268 -11.498 1.00 0.69 N ATOM 411 CA ASP A 29 0.741 -0.646 -10.902 1.00 0.66 C ATOM 412 C ASP A 29 0.610 -0.539 -9.386 1.00 0.61 C ATOM 413 O ASP A 29 1.172 0.354 -8.749 1.00 0.69 O ATOM 414 CB ASP A 29 2.168 -0.281 -11.304 1.00 0.75 C ATOM 415 CG ASP A 29 2.517 -0.637 -12.748 1.00 1.64 C ATOM 416 OD1 ASP A 29 2.044 -1.703 -13.201 1.00 2.92 O ATOM 417 OD2 ASP A 29 3.305 0.124 -13.352 1.00 2.24 O ATOM 0 H ASP A 29 0.219 1.057 -11.975 1.00 0.69 H new ATOM 0 HA ASP A 29 0.537 -1.659 -11.248 1.00 0.66 H new ATOM 0 HB2 ASP A 29 2.313 0.790 -11.159 1.00 0.75 H new ATOM 0 HB3 ASP A 29 2.864 -0.790 -10.637 1.00 0.75 H new ATOM 422 N VAL A 30 -0.126 -1.463 -8.784 1.00 0.53 N ATOM 423 CA VAL A 30 -0.411 -1.485 -7.362 1.00 0.53 C ATOM 424 C VAL A 30 -0.196 -2.906 -6.868 1.00 0.51 C ATOM 425 O VAL A 30 0.234 -3.781 -7.622 1.00 0.68 O ATOM 426 CB VAL A 30 -1.828 -0.952 -7.071 1.00 0.59 C ATOM 427 CG1 VAL A 30 -2.009 0.463 -7.624 1.00 0.68 C ATOM 428 CG2 VAL A 30 -2.935 -1.845 -7.645 1.00 0.63 C ATOM 0 H VAL A 30 -0.552 -2.240 -9.290 1.00 0.53 H new ATOM 0 HA VAL A 30 0.262 -0.820 -6.821 1.00 0.53 H new ATOM 0 HB VAL A 30 -1.921 -0.948 -5.985 1.00 0.59 H new ATOM 0 HG11 VAL A 30 -3.018 0.813 -7.404 1.00 0.68 H new ATOM 0 HG12 VAL A 30 -1.284 1.131 -7.159 1.00 0.68 H new ATOM 0 HG13 VAL A 30 -1.855 0.454 -8.703 1.00 0.68 H new ATOM 0 HG21 VAL A 30 -3.908 -1.416 -7.407 1.00 0.63 H new ATOM 0 HG22 VAL A 30 -2.823 -1.913 -8.727 1.00 0.63 H new ATOM 0 HG23 VAL A 30 -2.861 -2.841 -7.210 1.00 0.63 H new ATOM 438 N ARG A 31 -0.476 -3.139 -5.592 1.00 0.50 N ATOM 439 CA ARG A 31 -0.365 -4.429 -4.951 1.00 0.49 C ATOM 440 C ARG A 31 -1.387 -4.456 -3.823 1.00 0.52 C ATOM 441 O ARG A 31 -1.937 -3.421 -3.438 1.00 0.65 O ATOM 442 CB ARG A 31 1.067 -4.599 -4.409 1.00 0.55 C ATOM 443 CG ARG A 31 1.963 -5.435 -5.331 1.00 0.86 C ATOM 444 CD ARG A 31 1.867 -6.935 -5.022 1.00 1.39 C ATOM 445 NE ARG A 31 2.910 -7.360 -4.073 1.00 1.77 N ATOM 446 CZ ARG A 31 4.195 -7.581 -4.391 1.00 2.04 C ATOM 447 NH1 ARG A 31 5.071 -7.934 -3.450 1.00 3.22 N ATOM 448 NH2 ARG A 31 4.607 -7.443 -5.654 1.00 2.88 N ATOM 0 H ARG A 31 -0.797 -2.406 -4.960 1.00 0.50 H new ATOM 0 HA ARG A 31 -0.559 -5.247 -5.645 1.00 0.49 H new ATOM 0 HB2 ARG A 31 1.516 -3.615 -4.270 1.00 0.55 H new ATOM 0 HB3 ARG A 31 1.024 -5.071 -3.428 1.00 0.55 H new ATOM 0 HG2 ARG A 31 1.679 -5.260 -6.369 1.00 0.86 H new ATOM 0 HG3 ARG A 31 2.997 -5.109 -5.224 1.00 0.86 H new ATOM 0 HD2 ARG A 31 0.884 -7.160 -4.608 1.00 1.39 H new ATOM 0 HD3 ARG A 31 1.961 -7.504 -5.947 1.00 1.39 H new ATOM 0 HE ARG A 31 2.635 -7.497 -3.100 1.00 1.77 H new ATOM 0 HH11 ARG A 31 4.766 -8.037 -2.482 1.00 3.22 H new ATOM 0 HH12 ARG A 31 6.046 -8.101 -3.698 1.00 3.22 H new ATOM 0 HH21 ARG A 31 3.944 -7.169 -6.380 1.00 2.88 H new ATOM 0 HH22 ARG A 31 5.584 -7.612 -5.893 1.00 2.88 H new ATOM 462 N ARG A 32 -1.616 -5.644 -3.269 1.00 0.57 N ATOM 463 CA ARG A 32 -2.514 -5.850 -2.152 1.00 0.62 C ATOM 464 C ARG A 32 -1.697 -6.496 -1.046 1.00 0.62 C ATOM 465 O ARG A 32 -0.784 -7.265 -1.340 1.00 0.80 O ATOM 466 CB ARG A 32 -3.691 -6.735 -2.608 1.00 0.78 C ATOM 467 CG ARG A 32 -4.548 -7.279 -1.455 1.00 1.18 C ATOM 468 CD ARG A 32 -5.201 -6.147 -0.662 1.00 1.01 C ATOM 469 NE ARG A 32 -6.536 -5.804 -1.192 1.00 1.68 N ATOM 470 CZ ARG A 32 -7.182 -4.645 -1.002 1.00 3.10 C ATOM 471 NH1 ARG A 32 -8.456 -4.502 -1.365 1.00 3.52 N ATOM 472 NH2 ARG A 32 -6.547 -3.630 -0.432 1.00 4.57 N ATOM 0 H ARG A 32 -1.171 -6.502 -3.595 1.00 0.57 H new ATOM 0 HA ARG A 32 -2.943 -4.918 -1.783 1.00 0.62 H new ATOM 0 HB2 ARG A 32 -4.327 -6.158 -3.279 1.00 0.78 H new ATOM 0 HB3 ARG A 32 -3.300 -7.574 -3.183 1.00 0.78 H new ATOM 0 HG2 ARG A 32 -5.319 -7.938 -1.853 1.00 1.18 H new ATOM 0 HG3 ARG A 32 -3.927 -7.880 -0.790 1.00 1.18 H new ATOM 0 HD2 ARG A 32 -5.290 -6.440 0.384 1.00 1.01 H new ATOM 0 HD3 ARG A 32 -4.561 -5.266 -0.693 1.00 1.01 H new ATOM 0 HE ARG A 32 -7.009 -6.513 -1.753 1.00 1.68 H new ATOM 0 HH11 ARG A 32 -8.954 -5.281 -1.795 1.00 3.52 H new ATOM 0 HH12 ARG A 32 -8.933 -3.613 -1.213 1.00 3.52 H new ATOM 0 HH21 ARG A 32 -5.575 -3.735 -0.142 1.00 4.57 H new ATOM 0 HH22 ARG A 32 -7.031 -2.744 -0.284 1.00 4.57 H new ATOM 486 N LEU A 33 -2.032 -6.192 0.208 1.00 0.60 N ATOM 487 CA LEU A 33 -1.436 -6.799 1.377 1.00 0.59 C ATOM 488 C LEU A 33 -2.556 -7.400 2.217 1.00 0.66 C ATOM 489 O LEU A 33 -3.714 -7.021 2.040 1.00 0.70 O ATOM 490 CB LEU A 33 -0.590 -5.787 2.175 1.00 0.52 C ATOM 491 CG LEU A 33 -0.713 -4.316 1.760 1.00 0.54 C ATOM 492 CD1 LEU A 33 -0.031 -3.471 2.835 1.00 0.78 C ATOM 493 CD2 LEU A 33 -0.022 -4.005 0.424 1.00 0.78 C ATOM 0 H LEU A 33 -2.744 -5.498 0.434 1.00 0.60 H new ATOM 0 HA LEU A 33 -0.745 -7.586 1.076 1.00 0.59 H new ATOM 0 HB2 LEU A 33 -0.863 -5.869 3.227 1.00 0.52 H new ATOM 0 HB3 LEU A 33 0.457 -6.078 2.094 1.00 0.52 H new ATOM 0 HG LEU A 33 -1.774 -4.094 1.647 1.00 0.54 H new ATOM 0 HD11 LEU A 33 -0.102 -2.417 2.568 1.00 0.78 H new ATOM 0 HD12 LEU A 33 -0.522 -3.636 3.794 1.00 0.78 H new ATOM 0 HD13 LEU A 33 1.018 -3.757 2.911 1.00 0.78 H new ATOM 0 HD21 LEU A 33 -0.146 -2.948 0.188 1.00 0.78 H new ATOM 0 HD22 LEU A 33 1.040 -4.238 0.501 1.00 0.78 H new ATOM 0 HD23 LEU A 33 -0.469 -4.608 -0.366 1.00 0.78 H new ATOM 505 N PRO A 34 -2.231 -8.324 3.132 1.00 0.70 N ATOM 506 CA PRO A 34 -3.229 -9.098 3.851 1.00 0.82 C ATOM 507 C PRO A 34 -4.133 -8.197 4.684 1.00 0.91 C ATOM 508 O PRO A 34 -5.319 -8.478 4.816 1.00 1.06 O ATOM 509 CB PRO A 34 -2.460 -10.112 4.697 1.00 0.93 C ATOM 510 CG PRO A 34 -1.054 -9.529 4.807 1.00 0.85 C ATOM 511 CD PRO A 34 -0.884 -8.652 3.567 1.00 0.70 C ATOM 0 HA PRO A 34 -3.902 -9.617 3.168 1.00 0.82 H new ATOM 0 HB2 PRO A 34 -2.916 -10.237 5.679 1.00 0.93 H new ATOM 0 HB3 PRO A 34 -2.447 -11.094 4.225 1.00 0.93 H new ATOM 0 HG2 PRO A 34 -0.940 -8.945 5.720 1.00 0.85 H new ATOM 0 HG3 PRO A 34 -0.302 -10.318 4.837 1.00 0.85 H new ATOM 0 HD2 PRO A 34 -0.317 -7.751 3.799 1.00 0.70 H new ATOM 0 HD3 PRO A 34 -0.337 -9.180 2.786 1.00 0.70 H new ATOM 519 N CYS A 35 -3.613 -7.074 5.186 1.00 0.87 N ATOM 520 CA CYS A 35 -4.415 -6.102 5.909 1.00 0.97 C ATOM 521 C CYS A 35 -5.199 -5.186 4.949 1.00 1.05 C ATOM 522 O CYS A 35 -5.384 -4.006 5.247 1.00 1.41 O ATOM 523 CB CYS A 35 -3.464 -5.285 6.784 1.00 1.03 C ATOM 524 SG CYS A 35 -2.313 -4.322 5.760 1.00 1.98 S ATOM 0 H CYS A 35 -2.629 -6.820 5.100 1.00 0.87 H new ATOM 0 HA CYS A 35 -5.157 -6.615 6.521 1.00 0.97 H new ATOM 0 HB2 CYS A 35 -4.037 -4.614 7.424 1.00 1.03 H new ATOM 0 HB3 CYS A 35 -2.904 -5.951 7.441 1.00 1.03 H new ATOM 529 N MET A 36 -5.686 -5.723 3.823 1.00 0.95 N ATOM 530 CA MET A 36 -6.618 -5.096 2.890 1.00 1.04 C ATOM 531 C MET A 36 -6.246 -3.653 2.553 1.00 0.99 C ATOM 532 O MET A 36 -7.101 -2.800 2.326 1.00 1.28 O ATOM 533 CB MET A 36 -8.071 -5.303 3.350 1.00 1.22 C ATOM 534 CG MET A 36 -8.316 -5.003 4.832 1.00 2.50 C ATOM 535 SD MET A 36 -10.007 -5.349 5.376 1.00 3.31 S ATOM 536 CE MET A 36 -9.678 -5.640 7.134 1.00 4.54 C ATOM 0 H MET A 36 -5.422 -6.662 3.526 1.00 0.95 H new ATOM 0 HA MET A 36 -6.534 -5.605 1.930 1.00 1.04 H new ATOM 0 HB2 MET A 36 -8.723 -4.667 2.751 1.00 1.22 H new ATOM 0 HB3 MET A 36 -8.359 -6.335 3.148 1.00 1.22 H new ATOM 0 HG2 MET A 36 -7.623 -5.593 5.432 1.00 2.50 H new ATOM 0 HG3 MET A 36 -8.090 -3.954 5.023 1.00 2.50 H new ATOM 0 HE1 MET A 36 -10.612 -5.872 7.646 1.00 4.54 H new ATOM 0 HE2 MET A 36 -8.988 -6.477 7.241 1.00 4.54 H new ATOM 0 HE3 MET A 36 -9.235 -4.746 7.574 1.00 4.54 H new ATOM 546 N HIS A 37 -4.948 -3.407 2.374 1.00 0.84 N ATOM 547 CA HIS A 37 -4.431 -2.108 1.974 1.00 0.80 C ATOM 548 C HIS A 37 -4.027 -2.176 0.502 1.00 0.76 C ATOM 549 O HIS A 37 -3.613 -3.242 0.042 1.00 0.97 O ATOM 550 CB HIS A 37 -3.272 -1.721 2.908 1.00 0.83 C ATOM 551 CG HIS A 37 -3.693 -0.742 3.978 1.00 1.09 C ATOM 552 ND1 HIS A 37 -3.469 -0.837 5.358 1.00 1.15 N ATOM 553 CD2 HIS A 37 -4.378 0.416 3.725 1.00 1.38 C ATOM 554 CE1 HIS A 37 -4.035 0.257 5.890 1.00 1.46 C ATOM 555 NE2 HIS A 37 -4.583 1.032 4.936 1.00 1.61 N ATOM 0 H HIS A 37 -4.224 -4.113 2.505 1.00 0.84 H new ATOM 0 HA HIS A 37 -5.185 -1.327 2.066 1.00 0.80 H new ATOM 0 HB2 HIS A 37 -2.874 -2.620 3.379 1.00 0.83 H new ATOM 0 HB3 HIS A 37 -2.465 -1.285 2.319 1.00 0.83 H new ATOM 0 HD2 HIS A 37 -4.696 0.777 2.758 1.00 1.38 H new ATOM 0 HE1 HIS A 37 -4.049 0.486 6.945 1.00 1.46 H new ATOM 0 HE2 HIS A 37 -5.065 1.919 5.085 1.00 1.61 H new ATOM 563 N LEU A 38 -4.256 -1.105 -0.268 1.00 0.86 N ATOM 564 CA LEU A 38 -4.012 -1.076 -1.709 1.00 0.83 C ATOM 565 C LEU A 38 -2.879 -0.090 -1.936 1.00 0.74 C ATOM 566 O LEU A 38 -3.103 1.118 -1.917 1.00 1.03 O ATOM 567 CB LEU A 38 -5.270 -0.636 -2.486 1.00 1.10 C ATOM 568 CG LEU A 38 -5.283 -1.245 -3.897 1.00 1.00 C ATOM 569 CD1 LEU A 38 -5.978 -2.610 -3.848 1.00 1.78 C ATOM 570 CD2 LEU A 38 -6.025 -0.338 -4.879 1.00 2.03 C ATOM 0 H LEU A 38 -4.620 -0.226 0.100 1.00 0.86 H new ATOM 0 HA LEU A 38 -3.755 -2.071 -2.071 1.00 0.83 H new ATOM 0 HB2 LEU A 38 -6.164 -0.945 -1.944 1.00 1.10 H new ATOM 0 HB3 LEU A 38 -5.298 0.451 -2.554 1.00 1.10 H new ATOM 0 HG LEU A 38 -4.253 -1.354 -4.238 1.00 1.00 H new ATOM 0 HD11 LEU A 38 -5.991 -3.048 -4.846 1.00 1.78 H new ATOM 0 HD12 LEU A 38 -5.437 -3.270 -3.169 1.00 1.78 H new ATOM 0 HD13 LEU A 38 -7.001 -2.485 -3.494 1.00 1.78 H new ATOM 0 HD21 LEU A 38 -6.019 -0.793 -5.870 1.00 2.03 H new ATOM 0 HD22 LEU A 38 -7.055 -0.206 -4.546 1.00 2.03 H new ATOM 0 HD23 LEU A 38 -5.531 0.633 -4.922 1.00 2.03 H new ATOM 582 N PHE A 39 -1.650 -0.578 -2.065 1.00 0.50 N ATOM 583 CA PHE A 39 -0.484 0.291 -2.080 1.00 0.50 C ATOM 584 C PHE A 39 0.157 0.185 -3.462 1.00 0.52 C ATOM 585 O PHE A 39 0.122 -0.877 -4.077 1.00 0.71 O ATOM 586 CB PHE A 39 0.472 -0.095 -0.934 1.00 0.52 C ATOM 587 CG PHE A 39 0.028 0.213 0.499 1.00 0.59 C ATOM 588 CD1 PHE A 39 -1.146 0.937 0.789 1.00 1.84 C ATOM 589 CD2 PHE A 39 0.830 -0.211 1.578 1.00 1.61 C ATOM 590 CE1 PHE A 39 -1.535 1.176 2.118 1.00 2.03 C ATOM 591 CE2 PHE A 39 0.465 0.056 2.909 1.00 1.62 C ATOM 592 CZ PHE A 39 -0.734 0.728 3.182 1.00 1.03 C ATOM 0 H PHE A 39 -1.438 -1.571 -2.161 1.00 0.50 H new ATOM 0 HA PHE A 39 -0.754 1.333 -1.908 1.00 0.50 H new ATOM 0 HB2 PHE A 39 0.663 -1.166 -1.003 1.00 0.52 H new ATOM 0 HB3 PHE A 39 1.423 0.410 -1.106 1.00 0.52 H new ATOM 0 HD1 PHE A 39 -1.754 1.313 -0.020 1.00 1.84 H new ATOM 0 HD2 PHE A 39 1.743 -0.752 1.378 1.00 1.61 H new ATOM 0 HE1 PHE A 39 -2.453 1.706 2.322 1.00 2.03 H new ATOM 0 HE2 PHE A 39 1.107 -0.256 3.719 1.00 1.62 H new ATOM 0 HZ PHE A 39 -1.040 0.900 4.203 1.00 1.03 H new ATOM 602 N HIS A 40 0.714 1.290 -3.967 1.00 0.44 N ATOM 603 CA HIS A 40 1.441 1.318 -5.239 1.00 0.43 C ATOM 604 C HIS A 40 2.495 0.219 -5.248 1.00 0.44 C ATOM 605 O HIS A 40 3.053 -0.087 -4.204 1.00 0.51 O ATOM 606 CB HIS A 40 2.176 2.655 -5.376 1.00 0.42 C ATOM 607 CG HIS A 40 1.608 3.680 -6.311 1.00 0.68 C ATOM 608 ND1 HIS A 40 1.824 5.043 -6.145 1.00 1.15 N ATOM 609 CD2 HIS A 40 1.025 3.456 -7.523 1.00 0.78 C ATOM 610 CE1 HIS A 40 1.347 5.627 -7.254 1.00 1.46 C ATOM 611 NE2 HIS A 40 0.850 4.699 -8.092 1.00 1.23 N ATOM 0 H HIS A 40 0.673 2.196 -3.501 1.00 0.44 H new ATOM 0 HA HIS A 40 0.729 1.179 -6.053 1.00 0.43 H new ATOM 0 HB2 HIS A 40 2.237 3.105 -4.385 1.00 0.42 H new ATOM 0 HB3 HIS A 40 3.197 2.443 -5.694 1.00 0.42 H new ATOM 0 HD2 HIS A 40 0.756 2.501 -7.949 1.00 0.78 H new ATOM 0 HE1 HIS A 40 1.360 6.690 -7.447 1.00 1.46 H new ATOM 0 HE2 HIS A 40 0.417 4.884 -8.997 1.00 1.23 H new ATOM 619 N GLN A 41 2.830 -0.328 -6.412 1.00 0.41 N ATOM 620 CA GLN A 41 3.780 -1.423 -6.491 1.00 0.43 C ATOM 621 C GLN A 41 5.191 -0.952 -6.122 1.00 0.57 C ATOM 622 O GLN A 41 5.900 -1.639 -5.395 1.00 1.05 O ATOM 623 CB GLN A 41 3.693 -2.061 -7.881 1.00 0.56 C ATOM 624 CG GLN A 41 4.359 -3.441 -7.890 1.00 0.98 C ATOM 625 CD GLN A 41 3.929 -4.287 -9.085 1.00 0.97 C ATOM 626 OE1 GLN A 41 4.757 -4.737 -9.864 1.00 1.47 O ATOM 627 NE2 GLN A 41 2.638 -4.564 -9.234 1.00 1.07 N ATOM 0 H GLN A 41 2.455 -0.028 -7.312 1.00 0.41 H new ATOM 0 HA GLN A 41 3.530 -2.193 -5.761 1.00 0.43 H new ATOM 0 HB2 GLN A 41 2.648 -2.155 -8.178 1.00 0.56 H new ATOM 0 HB3 GLN A 41 4.176 -1.414 -8.614 1.00 0.56 H new ATOM 0 HG2 GLN A 41 5.442 -3.319 -7.906 1.00 0.98 H new ATOM 0 HG3 GLN A 41 4.111 -3.967 -6.968 1.00 0.98 H new ATOM 0 HE21 GLN A 41 1.956 -4.183 -8.578 1.00 1.07 H new ATOM 0 HE22 GLN A 41 2.329 -5.157 -10.004 1.00 1.07 H new ATOM 636 N VAL A 42 5.606 0.226 -6.591 1.00 0.67 N ATOM 637 CA VAL A 42 6.910 0.784 -6.241 1.00 0.71 C ATOM 638 C VAL A 42 6.921 1.230 -4.778 1.00 0.63 C ATOM 639 O VAL A 42 7.823 0.876 -4.023 1.00 0.58 O ATOM 640 CB VAL A 42 7.258 1.928 -7.207 1.00 0.85 C ATOM 641 CG1 VAL A 42 8.518 2.692 -6.782 1.00 0.93 C ATOM 642 CG2 VAL A 42 7.491 1.347 -8.607 1.00 1.11 C ATOM 0 H VAL A 42 5.054 0.813 -7.217 1.00 0.67 H new ATOM 0 HA VAL A 42 7.680 0.020 -6.344 1.00 0.71 H new ATOM 0 HB VAL A 42 6.422 2.627 -7.199 1.00 0.85 H new ATOM 0 HG11 VAL A 42 8.719 3.489 -7.498 1.00 0.93 H new ATOM 0 HG12 VAL A 42 8.366 3.123 -5.793 1.00 0.93 H new ATOM 0 HG13 VAL A 42 9.366 2.008 -6.753 1.00 0.93 H new ATOM 0 HG21 VAL A 42 7.738 2.152 -9.299 1.00 1.11 H new ATOM 0 HG22 VAL A 42 8.314 0.633 -8.572 1.00 1.11 H new ATOM 0 HG23 VAL A 42 6.587 0.842 -8.947 1.00 1.11 H new ATOM 652 N CYS A 43 5.926 2.014 -4.359 1.00 0.65 N ATOM 653 CA CYS A 43 5.901 2.584 -3.018 1.00 0.63 C ATOM 654 C CYS A 43 5.890 1.449 -1.985 1.00 0.47 C ATOM 655 O CYS A 43 6.593 1.513 -0.978 1.00 0.43 O ATOM 656 CB CYS A 43 4.669 3.492 -2.890 1.00 0.78 C ATOM 657 SG CYS A 43 4.663 4.678 -4.275 1.00 1.14 S ATOM 0 H CYS A 43 5.124 2.268 -4.936 1.00 0.65 H new ATOM 0 HA CYS A 43 6.789 3.189 -2.834 1.00 0.63 H new ATOM 0 HB2 CYS A 43 3.757 2.894 -2.902 1.00 0.78 H new ATOM 0 HB3 CYS A 43 4.690 4.024 -1.939 1.00 0.78 H new ATOM 662 N VAL A 44 5.102 0.396 -2.224 1.00 0.44 N ATOM 663 CA VAL A 44 5.042 -0.749 -1.337 1.00 0.40 C ATOM 664 C VAL A 44 6.319 -1.577 -1.387 1.00 0.32 C ATOM 665 O VAL A 44 6.570 -2.326 -0.456 1.00 0.32 O ATOM 666 CB VAL A 44 3.814 -1.621 -1.605 1.00 0.53 C ATOM 667 CG1 VAL A 44 4.026 -2.617 -2.730 1.00 0.57 C ATOM 668 CG2 VAL A 44 3.472 -2.433 -0.363 1.00 0.62 C ATOM 0 H VAL A 44 4.492 0.322 -3.039 1.00 0.44 H new ATOM 0 HA VAL A 44 4.947 -0.350 -0.327 1.00 0.40 H new ATOM 0 HB VAL A 44 3.016 -0.932 -1.882 1.00 0.53 H new ATOM 0 HG11 VAL A 44 3.119 -3.205 -2.871 1.00 0.57 H new ATOM 0 HG12 VAL A 44 4.258 -2.082 -3.651 1.00 0.57 H new ATOM 0 HG13 VAL A 44 4.853 -3.280 -2.478 1.00 0.57 H new ATOM 0 HG21 VAL A 44 2.597 -3.051 -0.562 1.00 0.62 H new ATOM 0 HG22 VAL A 44 4.316 -3.072 -0.102 1.00 0.62 H new ATOM 0 HG23 VAL A 44 3.259 -1.758 0.466 1.00 0.62 H new ATOM 678 N ASP A 45 7.110 -1.500 -2.454 1.00 0.36 N ATOM 679 CA ASP A 45 8.382 -2.210 -2.503 1.00 0.42 C ATOM 680 C ASP A 45 9.257 -1.692 -1.363 1.00 0.39 C ATOM 681 O ASP A 45 9.588 -2.409 -0.419 1.00 0.44 O ATOM 682 CB ASP A 45 9.047 -2.023 -3.875 1.00 0.55 C ATOM 683 CG ASP A 45 10.214 -2.983 -4.083 1.00 1.12 C ATOM 684 OD1 ASP A 45 10.269 -3.993 -3.348 1.00 2.17 O ATOM 685 OD2 ASP A 45 11.020 -2.698 -4.995 1.00 2.13 O ATOM 0 H ASP A 45 6.894 -0.957 -3.290 1.00 0.36 H new ATOM 0 HA ASP A 45 8.232 -3.282 -2.375 1.00 0.42 H new ATOM 0 HB2 ASP A 45 8.307 -2.177 -4.660 1.00 0.55 H new ATOM 0 HB3 ASP A 45 9.402 -0.997 -3.969 1.00 0.55 H new ATOM 690 N GLN A 46 9.545 -0.390 -1.390 1.00 0.38 N ATOM 691 CA GLN A 46 10.310 0.258 -0.333 1.00 0.42 C ATOM 692 C GLN A 46 9.597 0.182 1.015 1.00 0.42 C ATOM 693 O GLN A 46 10.255 0.153 2.053 1.00 0.54 O ATOM 694 CB GLN A 46 10.606 1.710 -0.727 1.00 0.47 C ATOM 695 CG GLN A 46 11.648 1.800 -1.853 1.00 0.58 C ATOM 696 CD GLN A 46 13.064 1.952 -1.304 1.00 1.44 C ATOM 697 OE1 GLN A 46 13.463 1.257 -0.380 1.00 2.66 O ATOM 698 NE2 GLN A 46 13.849 2.874 -1.850 1.00 1.93 N ATOM 0 H GLN A 46 9.256 0.238 -2.140 1.00 0.38 H new ATOM 0 HA GLN A 46 11.253 -0.276 -0.215 1.00 0.42 H new ATOM 0 HB2 GLN A 46 9.683 2.194 -1.047 1.00 0.47 H new ATOM 0 HB3 GLN A 46 10.966 2.256 0.145 1.00 0.47 H new ATOM 0 HG2 GLN A 46 11.592 0.905 -2.472 1.00 0.58 H new ATOM 0 HG3 GLN A 46 11.415 2.648 -2.497 1.00 0.58 H new ATOM 0 HE21 GLN A 46 13.504 3.447 -2.620 1.00 1.93 H new ATOM 0 HE22 GLN A 46 14.797 3.009 -1.499 1.00 1.93 H new ATOM 707 N ALA A 47 8.269 0.130 1.038 1.00 0.37 N ATOM 708 CA ALA A 47 7.563 -0.084 2.288 1.00 0.46 C ATOM 709 C ALA A 47 7.966 -1.426 2.898 1.00 0.47 C ATOM 710 O ALA A 47 8.469 -1.475 4.011 1.00 0.57 O ATOM 711 CB ALA A 47 6.063 -0.025 2.040 1.00 0.49 C ATOM 0 H ALA A 47 7.671 0.232 0.218 1.00 0.37 H new ATOM 0 HA ALA A 47 7.830 0.700 2.996 1.00 0.46 H new ATOM 0 HB1 ALA A 47 5.532 -0.186 2.979 1.00 0.49 H new ATOM 0 HB2 ALA A 47 5.799 0.953 1.637 1.00 0.49 H new ATOM 0 HB3 ALA A 47 5.781 -0.800 1.327 1.00 0.49 H new ATOM 717 N LEU A 48 7.750 -2.523 2.174 1.00 0.40 N ATOM 718 CA LEU A 48 7.975 -3.884 2.617 1.00 0.50 C ATOM 719 C LEU A 48 9.418 -4.073 3.072 1.00 0.63 C ATOM 720 O LEU A 48 9.647 -4.618 4.152 1.00 0.74 O ATOM 721 CB LEU A 48 7.547 -4.840 1.490 1.00 0.50 C ATOM 722 CG LEU A 48 7.497 -6.325 1.891 1.00 0.69 C ATOM 723 CD1 LEU A 48 6.579 -7.076 0.922 1.00 0.86 C ATOM 724 CD2 LEU A 48 8.873 -6.997 1.858 1.00 0.99 C ATOM 0 H LEU A 48 7.397 -2.477 1.218 1.00 0.40 H new ATOM 0 HA LEU A 48 7.368 -4.114 3.493 1.00 0.50 H new ATOM 0 HB2 LEU A 48 6.562 -4.541 1.133 1.00 0.50 H new ATOM 0 HB3 LEU A 48 8.237 -4.726 0.654 1.00 0.50 H new ATOM 0 HG LEU A 48 7.126 -6.365 2.915 1.00 0.69 H new ATOM 0 HD11 LEU A 48 6.539 -8.129 1.201 1.00 0.86 H new ATOM 0 HD12 LEU A 48 5.576 -6.651 0.967 1.00 0.86 H new ATOM 0 HD13 LEU A 48 6.967 -6.984 -0.092 1.00 0.86 H new ATOM 0 HD21 LEU A 48 8.774 -8.043 2.150 1.00 0.99 H new ATOM 0 HD22 LEU A 48 9.282 -6.939 0.849 1.00 0.99 H new ATOM 0 HD23 LEU A 48 9.543 -6.488 2.551 1.00 0.99 H new ATOM 736 N ILE A 49 10.397 -3.628 2.277 1.00 0.66 N ATOM 737 CA ILE A 49 11.793 -3.752 2.676 1.00 0.83 C ATOM 738 C ILE A 49 12.070 -2.954 3.954 1.00 0.91 C ATOM 739 O ILE A 49 12.864 -3.394 4.780 1.00 1.07 O ATOM 740 CB ILE A 49 12.762 -3.394 1.532 1.00 0.89 C ATOM 741 CG1 ILE A 49 12.860 -1.893 1.235 1.00 0.84 C ATOM 742 CG2 ILE A 49 12.432 -4.201 0.270 1.00 0.88 C ATOM 743 CD1 ILE A 49 14.048 -1.240 1.953 1.00 1.00 C ATOM 0 H ILE A 49 10.248 -3.187 1.370 1.00 0.66 H new ATOM 0 HA ILE A 49 11.979 -4.802 2.904 1.00 0.83 H new ATOM 0 HB ILE A 49 13.756 -3.675 1.881 1.00 0.89 H new ATOM 0 HG12 ILE A 49 12.959 -1.742 0.160 1.00 0.84 H new ATOM 0 HG13 ILE A 49 11.937 -1.402 1.542 1.00 0.84 H new ATOM 0 HG21 ILE A 49 13.128 -3.933 -0.525 1.00 0.88 H new ATOM 0 HG22 ILE A 49 12.520 -5.266 0.486 1.00 0.88 H new ATOM 0 HG23 ILE A 49 11.414 -3.978 -0.048 1.00 0.88 H new ATOM 0 HD11 ILE A 49 14.078 -0.177 1.714 1.00 1.00 H new ATOM 0 HD12 ILE A 49 13.936 -1.366 3.030 1.00 1.00 H new ATOM 0 HD13 ILE A 49 14.975 -1.712 1.626 1.00 1.00 H new ATOM 755 N THR A 50 11.442 -1.785 4.125 1.00 0.83 N ATOM 756 CA THR A 50 11.656 -0.975 5.315 1.00 0.92 C ATOM 757 C THR A 50 11.101 -1.703 6.542 1.00 1.04 C ATOM 758 O THR A 50 11.777 -1.818 7.563 1.00 1.17 O ATOM 759 CB THR A 50 11.044 0.421 5.113 1.00 0.85 C ATOM 760 OG1 THR A 50 11.835 1.113 4.172 1.00 0.77 O ATOM 761 CG2 THR A 50 11.025 1.270 6.385 1.00 0.98 C ATOM 0 H THR A 50 10.786 -1.386 3.454 1.00 0.83 H new ATOM 0 HA THR A 50 12.722 -0.829 5.488 1.00 0.92 H new ATOM 0 HB THR A 50 10.014 0.271 4.791 1.00 0.85 H new ATOM 0 HG1 THR A 50 11.480 0.960 3.271 1.00 0.77 H new ATOM 0 HG21 THR A 50 10.580 2.241 6.168 1.00 0.98 H new ATOM 0 HG22 THR A 50 10.437 0.765 7.151 1.00 0.98 H new ATOM 0 HG23 THR A 50 12.045 1.410 6.744 1.00 0.98 H new ATOM 769 N ASN A 51 9.861 -2.181 6.461 1.00 1.02 N ATOM 770 CA ASN A 51 9.162 -2.870 7.526 1.00 1.27 C ATOM 771 C ASN A 51 7.916 -3.549 6.964 1.00 1.28 C ATOM 772 O ASN A 51 6.824 -3.000 7.023 1.00 1.60 O ATOM 773 CB ASN A 51 8.792 -1.913 8.674 1.00 1.36 C ATOM 774 CG ASN A 51 7.994 -0.670 8.272 1.00 3.54 C ATOM 775 OD1 ASN A 51 7.969 -0.235 7.127 1.00 4.94 O ATOM 776 ND2 ASN A 51 7.374 -0.017 9.244 1.00 4.82 N ATOM 0 H ASN A 51 9.299 -2.092 5.614 1.00 1.02 H new ATOM 0 HA ASN A 51 9.828 -3.627 7.941 1.00 1.27 H new ATOM 0 HB2 ASN A 51 8.216 -2.468 9.414 1.00 1.36 H new ATOM 0 HB3 ASN A 51 9.711 -1.590 9.163 1.00 1.36 H new ATOM 0 HD21 ASN A 51 6.875 0.849 9.039 1.00 4.82 H new ATOM 0 HD22 ASN A 51 7.396 -0.380 10.197 1.00 4.82 H new ATOM 783 N LYS A 52 8.073 -4.783 6.478 1.00 1.16 N ATOM 784 CA LYS A 52 6.992 -5.612 5.954 1.00 1.09 C ATOM 785 C LYS A 52 5.691 -5.482 6.743 1.00 1.21 C ATOM 786 O LYS A 52 4.673 -5.107 6.172 1.00 2.85 O ATOM 787 CB LYS A 52 7.479 -7.048 5.704 1.00 1.10 C ATOM 788 CG LYS A 52 8.169 -7.765 6.875 1.00 1.82 C ATOM 789 CD LYS A 52 9.180 -8.756 6.282 1.00 1.60 C ATOM 790 CE LYS A 52 9.645 -9.822 7.279 1.00 2.67 C ATOM 791 NZ LYS A 52 10.582 -9.292 8.286 1.00 3.54 N ATOM 0 H LYS A 52 8.982 -5.243 6.438 1.00 1.16 H new ATOM 0 HA LYS A 52 6.710 -5.226 4.975 1.00 1.09 H new ATOM 0 HB2 LYS A 52 6.622 -7.648 5.397 1.00 1.10 H new ATOM 0 HB3 LYS A 52 8.172 -7.029 4.863 1.00 1.10 H new ATOM 0 HG2 LYS A 52 8.672 -7.046 7.521 1.00 1.82 H new ATOM 0 HG3 LYS A 52 7.436 -8.288 7.489 1.00 1.82 H new ATOM 0 HD2 LYS A 52 8.732 -9.248 5.419 1.00 1.60 H new ATOM 0 HD3 LYS A 52 10.048 -8.205 5.920 1.00 1.60 H new ATOM 0 HE2 LYS A 52 8.776 -10.244 7.784 1.00 2.67 H new ATOM 0 HE3 LYS A 52 10.125 -10.636 6.736 1.00 2.67 H new ATOM 0 HZ1 LYS A 52 10.864 -10.055 8.934 1.00 3.54 H new ATOM 0 HZ2 LYS A 52 11.425 -8.913 7.810 1.00 3.54 H new ATOM 0 HZ3 LYS A 52 10.119 -8.533 8.826 1.00 3.54 H new ATOM 805 N LYS A 53 5.693 -5.781 8.041 1.00 0.91 N ATOM 806 CA LYS A 53 4.467 -5.696 8.819 1.00 0.96 C ATOM 807 C LYS A 53 3.874 -4.289 8.687 1.00 1.14 C ATOM 808 O LYS A 53 4.538 -3.324 9.056 1.00 1.85 O ATOM 809 CB LYS A 53 4.681 -6.022 10.310 1.00 1.49 C ATOM 810 CG LYS A 53 5.392 -7.339 10.670 1.00 3.21 C ATOM 811 CD LYS A 53 6.924 -7.223 10.731 1.00 3.58 C ATOM 812 CE LYS A 53 7.550 -8.377 11.526 1.00 5.25 C ATOM 813 NZ LYS A 53 7.296 -8.266 12.980 1.00 5.53 N ATOM 0 H LYS A 53 6.516 -6.079 8.565 1.00 0.91 H new ATOM 0 HA LYS A 53 3.781 -6.443 8.420 1.00 0.96 H new ATOM 0 HB2 LYS A 53 5.251 -5.204 10.752 1.00 1.49 H new ATOM 0 HB3 LYS A 53 3.704 -6.028 10.794 1.00 1.49 H new ATOM 0 HG2 LYS A 53 5.025 -7.687 11.636 1.00 3.21 H new ATOM 0 HG3 LYS A 53 5.124 -8.098 9.935 1.00 3.21 H new ATOM 0 HD2 LYS A 53 7.329 -7.217 9.719 1.00 3.58 H new ATOM 0 HD3 LYS A 53 7.199 -6.274 11.190 1.00 3.58 H new ATOM 0 HE2 LYS A 53 7.151 -9.324 11.162 1.00 5.25 H new ATOM 0 HE3 LYS A 53 8.625 -8.395 11.348 1.00 5.25 H new ATOM 0 HZ1 LYS A 53 7.935 -8.905 13.494 1.00 5.53 H new ATOM 0 HZ2 LYS A 53 7.464 -7.287 13.288 1.00 5.53 H new ATOM 0 HZ3 LYS A 53 6.310 -8.527 13.181 1.00 5.53 H new ATOM 827 N CYS A 54 2.635 -4.199 8.188 1.00 0.71 N ATOM 828 CA CYS A 54 1.975 -2.963 7.775 1.00 0.81 C ATOM 829 C CYS A 54 2.173 -1.900 8.863 1.00 0.97 C ATOM 830 O CYS A 54 1.838 -2.164 10.017 1.00 0.97 O ATOM 831 CB CYS A 54 0.480 -3.287 7.582 1.00 0.71 C ATOM 832 SG CYS A 54 -0.529 -1.831 7.141 1.00 1.09 S ATOM 0 H CYS A 54 2.045 -5.021 8.057 1.00 0.71 H new ATOM 0 HA CYS A 54 2.392 -2.574 6.846 1.00 0.81 H new ATOM 0 HB2 CYS A 54 0.377 -4.040 6.801 1.00 0.71 H new ATOM 0 HB3 CYS A 54 0.090 -3.725 8.501 1.00 0.71 H new ATOM 837 N PRO A 55 2.651 -0.688 8.539 1.00 1.25 N ATOM 838 CA PRO A 55 2.977 0.324 9.538 1.00 1.51 C ATOM 839 C PRO A 55 1.744 0.950 10.201 1.00 1.53 C ATOM 840 O PRO A 55 1.889 1.871 10.999 1.00 2.43 O ATOM 841 CB PRO A 55 3.814 1.366 8.787 1.00 1.90 C ATOM 842 CG PRO A 55 3.327 1.251 7.346 1.00 1.88 C ATOM 843 CD PRO A 55 3.024 -0.240 7.208 1.00 1.49 C ATOM 0 HA PRO A 55 3.519 -0.120 10.373 1.00 1.51 H new ATOM 0 HB2 PRO A 55 3.656 2.369 9.184 1.00 1.90 H new ATOM 0 HB3 PRO A 55 4.881 1.156 8.867 1.00 1.90 H new ATOM 0 HG2 PRO A 55 2.442 1.862 7.169 1.00 1.88 H new ATOM 0 HG3 PRO A 55 4.087 1.577 6.635 1.00 1.88 H new ATOM 0 HD2 PRO A 55 2.217 -0.412 6.496 1.00 1.49 H new ATOM 0 HD3 PRO A 55 3.894 -0.784 6.841 1.00 1.49 H new ATOM 851 N ILE A 56 0.538 0.456 9.906 1.00 1.37 N ATOM 852 CA ILE A 56 -0.693 0.861 10.569 1.00 1.39 C ATOM 853 C ILE A 56 -1.260 -0.371 11.267 1.00 1.54 C ATOM 854 O ILE A 56 -1.365 -0.416 12.488 1.00 2.74 O ATOM 855 CB ILE A 56 -1.680 1.463 9.546 1.00 1.59 C ATOM 856 CG1 ILE A 56 -1.062 2.660 8.799 1.00 2.28 C ATOM 857 CG2 ILE A 56 -2.974 1.906 10.241 1.00 2.20 C ATOM 858 CD1 ILE A 56 -0.598 2.261 7.395 1.00 3.86 C ATOM 0 H ILE A 56 0.393 -0.250 9.185 1.00 1.37 H new ATOM 0 HA ILE A 56 -0.508 1.640 11.308 1.00 1.39 H new ATOM 0 HB ILE A 56 -1.907 0.684 8.819 1.00 1.59 H new ATOM 0 HG12 ILE A 56 -1.794 3.464 8.727 1.00 2.28 H new ATOM 0 HG13 ILE A 56 -0.217 3.049 9.367 1.00 2.28 H new ATOM 0 HG21 ILE A 56 -3.657 2.328 9.504 1.00 2.20 H new ATOM 0 HG22 ILE A 56 -3.443 1.046 10.720 1.00 2.20 H new ATOM 0 HG23 ILE A 56 -2.743 2.659 10.994 1.00 2.20 H new ATOM 0 HD11 ILE A 56 -0.167 3.128 6.894 1.00 3.86 H new ATOM 0 HD12 ILE A 56 0.153 1.474 7.470 1.00 3.86 H new ATOM 0 HD13 ILE A 56 -1.449 1.896 6.820 1.00 3.86 H new ATOM 870 N CYS A 57 -1.621 -1.378 10.473 1.00 1.10 N ATOM 871 CA CYS A 57 -2.371 -2.545 10.916 1.00 1.18 C ATOM 872 C CYS A 57 -1.494 -3.452 11.787 1.00 1.40 C ATOM 873 O CYS A 57 -2.001 -4.255 12.561 1.00 2.49 O ATOM 874 CB CYS A 57 -2.833 -3.313 9.669 1.00 1.14 C ATOM 875 SG CYS A 57 -3.441 -2.154 8.405 1.00 1.40 S ATOM 0 H CYS A 57 -1.393 -1.402 9.479 1.00 1.10 H new ATOM 0 HA CYS A 57 -3.227 -2.229 11.513 1.00 1.18 H new ATOM 0 HB2 CYS A 57 -2.007 -3.899 9.267 1.00 1.14 H new ATOM 0 HB3 CYS A 57 -3.622 -4.016 9.938 1.00 1.14 H new ATOM 880 N ARG A 58 -0.172 -3.347 11.624 1.00 0.94 N ATOM 881 CA ARG A 58 0.840 -4.123 12.325 1.00 0.96 C ATOM 882 C ARG A 58 0.610 -5.629 12.171 1.00 1.08 C ATOM 883 O ARG A 58 0.820 -6.397 13.108 1.00 1.73 O ATOM 884 CB ARG A 58 0.895 -3.652 13.785 1.00 1.11 C ATOM 885 CG ARG A 58 2.253 -3.962 14.418 1.00 1.25 C ATOM 886 CD ARG A 58 2.191 -3.705 15.924 1.00 1.61 C ATOM 887 NE ARG A 58 3.356 -4.294 16.602 1.00 2.25 N ATOM 888 CZ ARG A 58 3.404 -4.611 17.901 1.00 3.10 C ATOM 889 NH1 ARG A 58 4.448 -5.288 18.382 1.00 4.19 N ATOM 890 NH2 ARG A 58 2.409 -4.259 18.714 1.00 3.42 N ATOM 0 H ARG A 58 0.236 -2.684 10.965 1.00 0.94 H new ATOM 0 HA ARG A 58 1.819 -3.950 11.879 1.00 0.96 H new ATOM 0 HB2 ARG A 58 0.706 -2.579 13.831 1.00 1.11 H new ATOM 0 HB3 ARG A 58 0.105 -4.139 14.357 1.00 1.11 H new ATOM 0 HG2 ARG A 58 2.525 -5.000 14.228 1.00 1.25 H new ATOM 0 HG3 ARG A 58 3.026 -3.341 13.965 1.00 1.25 H new ATOM 0 HD2 ARG A 58 2.158 -2.632 16.113 1.00 1.61 H new ATOM 0 HD3 ARG A 58 1.274 -4.129 16.333 1.00 1.61 H new ATOM 0 HE ARG A 58 4.188 -4.474 16.041 1.00 2.25 H new ATOM 0 HH11 ARG A 58 5.208 -5.563 17.760 1.00 4.19 H new ATOM 0 HH12 ARG A 58 4.486 -5.531 19.372 1.00 4.19 H new ATOM 0 HH21 ARG A 58 1.607 -3.746 18.347 1.00 3.42 H new ATOM 0 HH22 ARG A 58 2.449 -4.502 19.704 1.00 3.42 H new ATOM 904 N VAL A 59 0.264 -6.064 10.959 1.00 0.75 N ATOM 905 CA VAL A 59 0.171 -7.471 10.597 1.00 0.73 C ATOM 906 C VAL A 59 1.215 -7.703 9.522 1.00 0.72 C ATOM 907 O VAL A 59 1.478 -6.808 8.716 1.00 0.73 O ATOM 908 CB VAL A 59 -1.242 -7.815 10.093 1.00 0.77 C ATOM 909 CG1 VAL A 59 -1.399 -9.326 9.888 1.00 1.41 C ATOM 910 CG2 VAL A 59 -2.313 -7.350 11.083 1.00 1.41 C ATOM 0 H VAL A 59 0.037 -5.433 10.190 1.00 0.75 H new ATOM 0 HA VAL A 59 0.352 -8.115 11.457 1.00 0.73 H new ATOM 0 HB VAL A 59 -1.373 -7.297 9.143 1.00 0.77 H new ATOM 0 HG11 VAL A 59 -2.406 -9.542 9.532 1.00 1.41 H new ATOM 0 HG12 VAL A 59 -0.672 -9.671 9.153 1.00 1.41 H new ATOM 0 HG13 VAL A 59 -1.230 -9.841 10.834 1.00 1.41 H new ATOM 0 HG21 VAL A 59 -3.300 -7.607 10.699 1.00 1.41 H new ATOM 0 HG22 VAL A 59 -2.158 -7.841 12.044 1.00 1.41 H new ATOM 0 HG23 VAL A 59 -2.244 -6.270 11.213 1.00 1.41 H new ATOM 920 N ASP A 60 1.849 -8.874 9.539 1.00 0.73 N ATOM 921 CA ASP A 60 2.855 -9.194 8.545 1.00 0.73 C ATOM 922 C ASP A 60 2.209 -9.339 7.176 1.00 0.73 C ATOM 923 O ASP A 60 1.074 -9.800 7.063 1.00 0.77 O ATOM 924 CB ASP A 60 3.628 -10.450 8.934 1.00 0.82 C ATOM 925 CG ASP A 60 4.905 -10.593 8.096 1.00 0.94 C ATOM 926 OD1 ASP A 60 5.244 -9.626 7.369 1.00 1.83 O ATOM 927 OD2 ASP A 60 5.570 -11.638 8.243 1.00 1.66 O ATOM 0 H ASP A 60 1.681 -9.608 10.227 1.00 0.73 H new ATOM 0 HA ASP A 60 3.573 -8.375 8.498 1.00 0.73 H new ATOM 0 HB2 ASP A 60 3.886 -10.409 9.992 1.00 0.82 H new ATOM 0 HB3 ASP A 60 2.997 -11.328 8.794 1.00 0.82 H new ATOM 932 N ILE A 61 2.936 -8.928 6.144 1.00 0.71 N ATOM 933 CA ILE A 61 2.506 -8.972 4.764 1.00 0.72 C ATOM 934 C ILE A 61 3.423 -9.825 3.897 1.00 0.78 C ATOM 935 O ILE A 61 3.077 -10.090 2.746 1.00 0.85 O ATOM 936 CB ILE A 61 2.419 -7.552 4.217 1.00 0.69 C ATOM 937 CG1 ILE A 61 3.825 -7.016 3.927 1.00 0.73 C ATOM 938 CG2 ILE A 61 1.668 -6.623 5.187 1.00 0.55 C ATOM 939 CD1 ILE A 61 3.723 -5.651 3.276 1.00 0.73 C ATOM 0 H ILE A 61 3.874 -8.542 6.256 1.00 0.71 H new ATOM 0 HA ILE A 61 1.523 -9.441 4.733 1.00 0.72 H new ATOM 0 HB ILE A 61 1.853 -7.577 3.286 1.00 0.69 H new ATOM 0 HG12 ILE A 61 4.397 -6.947 4.852 1.00 0.73 H new ATOM 0 HG13 ILE A 61 4.360 -7.704 3.272 1.00 0.73 H new ATOM 0 HG21 ILE A 61 1.624 -5.618 4.767 1.00 0.55 H new ATOM 0 HG22 ILE A 61 0.656 -6.998 5.339 1.00 0.55 H new ATOM 0 HG23 ILE A 61 2.192 -6.594 6.142 1.00 0.55 H new ATOM 0 HD11 ILE A 61 4.723 -5.270 3.070 1.00 0.73 H new ATOM 0 HD12 ILE A 61 3.167 -5.734 2.342 1.00 0.73 H new ATOM 0 HD13 ILE A 61 3.205 -4.966 3.947 1.00 0.73 H new ATOM 951 N GLU A 62 4.612 -10.174 4.398 1.00 0.78 N ATOM 952 CA GLU A 62 5.536 -11.029 3.672 1.00 0.91 C ATOM 953 C GLU A 62 4.796 -12.268 3.172 1.00 1.10 C ATOM 954 O GLU A 62 3.985 -12.854 3.889 1.00 1.62 O ATOM 955 CB GLU A 62 6.720 -11.429 4.559 1.00 0.90 C ATOM 956 CG GLU A 62 7.912 -11.815 3.676 1.00 1.21 C ATOM 957 CD GLU A 62 9.021 -12.498 4.475 1.00 1.39 C ATOM 958 OE1 GLU A 62 9.125 -13.739 4.381 1.00 2.31 O ATOM 959 OE2 GLU A 62 9.763 -11.761 5.162 1.00 2.32 O ATOM 0 H GLU A 62 4.952 -9.871 5.311 1.00 0.78 H new ATOM 0 HA GLU A 62 5.931 -10.479 2.818 1.00 0.91 H new ATOM 0 HB2 GLU A 62 6.992 -10.602 5.215 1.00 0.90 H new ATOM 0 HB3 GLU A 62 6.442 -12.266 5.199 1.00 0.90 H new ATOM 0 HG2 GLU A 62 7.574 -12.482 2.883 1.00 1.21 H new ATOM 0 HG3 GLU A 62 8.310 -10.922 3.194 1.00 1.21 H new ATOM 966 N ALA A 63 5.057 -12.656 1.927 1.00 1.83 N ATOM 967 CA ALA A 63 4.363 -13.753 1.294 1.00 2.18 C ATOM 968 C ALA A 63 5.370 -14.516 0.452 1.00 3.01 C ATOM 969 O ALA A 63 6.385 -13.957 0.036 1.00 3.84 O ATOM 970 CB ALA A 63 3.219 -13.207 0.436 1.00 2.71 C ATOM 0 H ALA A 63 5.759 -12.212 1.335 1.00 1.83 H new ATOM 0 HA ALA A 63 3.929 -14.425 2.035 1.00 2.18 H new ATOM 0 HB1 ALA A 63 2.695 -14.035 -0.042 1.00 2.71 H new ATOM 0 HB2 ALA A 63 2.523 -12.653 1.067 1.00 2.71 H new ATOM 0 HB3 ALA A 63 3.622 -12.543 -0.329 1.00 2.71 H new ATOM 976 N GLN A 64 5.081 -15.791 0.204 1.00 3.37 N ATOM 977 CA GLN A 64 5.929 -16.626 -0.624 1.00 4.40 C ATOM 978 C GLN A 64 6.001 -15.985 -2.014 1.00 5.58 C ATOM 979 O GLN A 64 4.970 -15.605 -2.570 1.00 6.19 O ATOM 980 CB GLN A 64 5.360 -18.057 -0.651 1.00 4.69 C ATOM 981 CG GLN A 64 6.459 -19.120 -0.548 1.00 5.56 C ATOM 982 CD GLN A 64 7.499 -18.959 -1.646 1.00 6.81 C ATOM 983 OE1 GLN A 64 8.472 -18.241 -1.467 1.00 7.58 O ATOM 984 NE2 GLN A 64 7.297 -19.575 -2.803 1.00 7.63 N ATOM 0 H GLN A 64 4.257 -16.266 0.571 1.00 3.37 H new ATOM 0 HA GLN A 64 6.942 -16.699 -0.229 1.00 4.40 H new ATOM 0 HB2 GLN A 64 4.658 -18.182 0.173 1.00 4.69 H new ATOM 0 HB3 GLN A 64 4.799 -18.205 -1.574 1.00 4.69 H new ATOM 0 HG2 GLN A 64 6.944 -19.050 0.426 1.00 5.56 H new ATOM 0 HG3 GLN A 64 6.013 -20.113 -0.611 1.00 5.56 H new ATOM 0 HE21 GLN A 64 6.477 -20.169 -2.928 1.00 7.63 H new ATOM 0 HE22 GLN A 64 7.961 -19.455 -3.568 1.00 7.63 H new ATOM 993 N LEU A 65 7.203 -15.847 -2.568 1.00 6.37 N ATOM 994 CA LEU A 65 7.454 -15.158 -3.825 1.00 7.86 C ATOM 995 C LEU A 65 8.307 -16.093 -4.679 1.00 8.74 C ATOM 996 O LEU A 65 9.112 -16.851 -4.138 1.00 8.53 O ATOM 997 CB LEU A 65 8.167 -13.821 -3.549 1.00 8.13 C ATOM 998 CG LEU A 65 7.185 -12.700 -3.164 1.00 8.91 C ATOM 999 CD1 LEU A 65 7.884 -11.634 -2.317 1.00 9.54 C ATOM 1000 CD2 LEU A 65 6.616 -12.023 -4.417 1.00 10.21 C ATOM 0 H LEU A 65 8.050 -16.222 -2.141 1.00 6.37 H new ATOM 0 HA LEU A 65 6.530 -14.921 -4.352 1.00 7.86 H new ATOM 0 HB2 LEU A 65 8.891 -13.958 -2.746 1.00 8.13 H new ATOM 0 HB3 LEU A 65 8.727 -13.521 -4.435 1.00 8.13 H new ATOM 0 HG LEU A 65 6.378 -13.157 -2.591 1.00 8.91 H new ATOM 0 HD11 LEU A 65 7.171 -10.852 -2.056 1.00 9.54 H new ATOM 0 HD12 LEU A 65 8.272 -12.090 -1.406 1.00 9.54 H new ATOM 0 HD13 LEU A 65 8.707 -11.200 -2.885 1.00 9.54 H new ATOM 0 HD21 LEU A 65 5.924 -11.234 -4.122 1.00 10.21 H new ATOM 0 HD22 LEU A 65 7.430 -11.592 -5.000 1.00 10.21 H new ATOM 0 HD23 LEU A 65 6.088 -12.761 -5.021 1.00 10.21 H new ATOM 1012 N PRO A 66 8.116 -16.102 -6.001 1.00 10.15 N ATOM 1013 CA PRO A 66 8.874 -16.970 -6.880 1.00 11.28 C ATOM 1014 C PRO A 66 10.320 -16.484 -6.991 1.00 11.44 C ATOM 1015 O PRO A 66 10.659 -15.387 -6.554 1.00 11.44 O ATOM 1016 CB PRO A 66 8.134 -16.923 -8.218 1.00 12.89 C ATOM 1017 CG PRO A 66 7.504 -15.530 -8.219 1.00 12.86 C ATOM 1018 CD PRO A 66 7.165 -15.297 -6.746 1.00 11.11 C ATOM 0 HA PRO A 66 8.940 -17.994 -6.512 1.00 11.28 H new ATOM 0 HB2 PRO A 66 8.814 -17.058 -9.059 1.00 12.89 H new ATOM 0 HB3 PRO A 66 7.379 -17.706 -8.289 1.00 12.89 H new ATOM 0 HG2 PRO A 66 8.195 -14.776 -8.597 1.00 12.86 H new ATOM 0 HG3 PRO A 66 6.614 -15.491 -8.848 1.00 12.86 H new ATOM 0 HD2 PRO A 66 7.253 -14.242 -6.484 1.00 11.11 H new ATOM 0 HD3 PRO A 66 6.140 -15.596 -6.526 1.00 11.11 H new ATOM 1026 N SER A 67 11.177 -17.319 -7.576 1.00 12.00 N ATOM 1027 CA SER A 67 12.564 -16.983 -7.837 1.00 12.48 C ATOM 1028 C SER A 67 12.661 -15.912 -8.922 1.00 13.62 C ATOM 1029 O SER A 67 11.816 -15.880 -9.815 1.00 14.58 O ATOM 1030 CB SER A 67 13.262 -18.257 -8.313 1.00 12.95 C ATOM 1031 OG SER A 67 12.469 -18.870 -9.313 1.00 13.86 O ATOM 0 H SER A 67 10.919 -18.257 -7.883 1.00 12.00 H new ATOM 0 HA SER A 67 13.032 -16.592 -6.933 1.00 12.48 H new ATOM 0 HB2 SER A 67 14.250 -18.020 -8.708 1.00 12.95 H new ATOM 0 HB3 SER A 67 13.409 -18.941 -7.477 1.00 12.95 H new ATOM 0 HG SER A 67 12.910 -19.687 -9.625 1.00 13.86 H new ATOM 1037 N GLU A 68 13.750 -15.138 -8.895 1.00 13.81 N ATOM 1038 CA GLU A 68 14.001 -13.993 -9.767 1.00 14.93 C ATOM 1039 C GLU A 68 13.127 -12.811 -9.334 1.00 14.43 C ATOM 1040 O GLU A 68 12.410 -12.907 -8.337 1.00 13.44 O ATOM 1041 CB GLU A 68 13.856 -14.352 -11.260 1.00 16.39 C ATOM 1042 CG GLU A 68 15.044 -13.794 -12.056 1.00 17.53 C ATOM 1043 CD GLU A 68 14.696 -13.560 -13.527 1.00 19.19 C ATOM 1044 OE1 GLU A 68 14.881 -12.409 -13.976 1.00 19.93 O ATOM 1045 OE2 GLU A 68 14.268 -14.535 -14.183 1.00 19.90 O ATOM 0 H GLU A 68 14.511 -15.301 -8.236 1.00 13.81 H new ATOM 0 HA GLU A 68 15.042 -13.688 -9.657 1.00 14.93 H new ATOM 0 HB2 GLU A 68 13.806 -15.434 -11.378 1.00 16.39 H new ATOM 0 HB3 GLU A 68 12.923 -13.945 -11.651 1.00 16.39 H new ATOM 0 HG2 GLU A 68 15.370 -12.855 -11.608 1.00 17.53 H new ATOM 0 HG3 GLU A 68 15.882 -14.488 -11.989 1.00 17.53 H new ATOM 1052 N SER A 69 13.219 -11.667 -10.017 1.00 15.28 N ATOM 1053 CA SER A 69 12.502 -10.474 -9.599 1.00 15.02 C ATOM 1054 C SER A 69 12.481 -9.480 -10.746 1.00 16.16 C ATOM 1055 O SER A 69 11.370 -9.103 -11.172 1.00 17.03 O ATOM 1056 CB SER A 69 13.204 -9.872 -8.377 1.00 13.92 C ATOM 1057 OG SER A 69 14.591 -9.748 -8.630 1.00 14.28 O ATOM 1058 OXT SER A 69 13.609 -9.110 -11.142 1.00 16.34 O ATOM 0 H SER A 69 13.783 -11.548 -10.859 1.00 15.28 H new ATOM 0 HA SER A 69 11.475 -10.722 -9.330 1.00 15.02 H new ATOM 0 HB2 SER A 69 12.779 -8.895 -8.147 1.00 13.92 H new ATOM 0 HB3 SER A 69 13.040 -10.504 -7.504 1.00 13.92 H new ATOM 0 HG SER A 69 14.730 -9.461 -9.557 1.00 14.28 H new TER 1064 SER A 69 HETATM 1065 ZN ZN A 101 2.958 5.901 -4.603 1.00 1.64 ZN HETATM 1066 ZN ZN A 102 -2.535 -2.362 6.504 1.00 1.00 ZN