USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 70 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 0 (180deg=-0.00924) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.28) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 160:sc= 1.15 (180deg=0.584) USER MOD Single : A 18 THR OG1 : rot -84:sc= 1.1 USER MOD Single : A 22 SER OG : rot 41:sc= 0.932 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.016) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0423 K(o=-0.042,f=-3.9!) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 0.709 (180deg=0.649) USER MOD Single : A 53 LYS NZ :NH3+ 146:sc= 0.152 (180deg=-1.82!) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 67 SER OG : rot 180:sc= 0.008 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.670 -14.824 0.556 1.00 26.27 N ATOM 2 CA MET A 1 -18.825 -13.367 0.729 1.00 26.53 C ATOM 3 C MET A 1 -20.229 -13.038 1.226 1.00 27.49 C ATOM 4 O MET A 1 -21.046 -12.520 0.475 1.00 28.62 O ATOM 5 CB MET A 1 -18.447 -12.604 -0.558 1.00 26.74 C ATOM 6 CG MET A 1 -19.319 -12.904 -1.793 1.00 27.89 C ATOM 7 SD MET A 1 -18.708 -12.170 -3.329 1.00 28.11 S ATOM 8 CE MET A 1 -20.262 -12.107 -4.264 1.00 29.93 C ATOM 0 H1 MET A 1 -17.727 -15.029 0.169 1.00 26.27 H new ATOM 0 H2 MET A 1 -18.777 -15.296 1.476 1.00 26.27 H new ATOM 0 H3 MET A 1 -19.397 -15.175 -0.100 1.00 26.27 H new ATOM 0 HA MET A 1 -18.127 -13.028 1.494 1.00 26.53 H new ATOM 0 HB2 MET A 1 -18.496 -11.535 -0.352 1.00 26.74 H new ATOM 0 HB3 MET A 1 -17.410 -12.834 -0.804 1.00 26.74 H new ATOM 0 HG2 MET A 1 -19.387 -13.984 -1.922 1.00 27.89 H new ATOM 0 HG3 MET A 1 -20.330 -12.541 -1.607 1.00 27.89 H new ATOM 0 HE1 MET A 1 -20.077 -11.678 -5.249 1.00 29.93 H new ATOM 0 HE2 MET A 1 -20.660 -13.115 -4.377 1.00 29.93 H new ATOM 0 HE3 MET A 1 -20.984 -11.490 -3.729 1.00 29.93 H new ATOM 20 N LYS A 2 -20.558 -13.364 2.477 1.00 27.21 N ATOM 21 CA LYS A 2 -21.908 -13.122 2.970 1.00 28.17 C ATOM 22 C LYS A 2 -21.771 -12.792 4.451 1.00 27.66 C ATOM 23 O LYS A 2 -22.223 -13.534 5.317 1.00 27.89 O ATOM 24 CB LYS A 2 -22.803 -14.344 2.667 1.00 28.97 C ATOM 25 CG LYS A 2 -24.238 -13.932 2.298 1.00 30.38 C ATOM 26 CD LYS A 2 -24.553 -14.189 0.816 1.00 31.47 C ATOM 27 CE LYS A 2 -23.639 -13.393 -0.118 1.00 31.30 C ATOM 28 NZ LYS A 2 -24.048 -13.496 -1.535 1.00 32.56 N ATOM 0 H LYS A 2 -19.921 -13.787 3.152 1.00 27.21 H new ATOM 0 HA LYS A 2 -22.402 -12.285 2.475 1.00 28.17 H new ATOM 0 HB2 LYS A 2 -22.369 -14.917 1.848 1.00 28.97 H new ATOM 0 HB3 LYS A 2 -22.827 -15.000 3.537 1.00 28.97 H new ATOM 0 HG2 LYS A 2 -24.944 -14.484 2.919 1.00 30.38 H new ATOM 0 HG3 LYS A 2 -24.379 -12.874 2.519 1.00 30.38 H new ATOM 0 HD2 LYS A 2 -24.448 -15.253 0.604 1.00 31.47 H new ATOM 0 HD3 LYS A 2 -25.592 -13.925 0.616 1.00 31.47 H new ATOM 0 HE2 LYS A 2 -23.642 -12.345 0.182 1.00 31.30 H new ATOM 0 HE3 LYS A 2 -22.615 -13.752 -0.012 1.00 31.30 H new ATOM 0 HZ1 LYS A 2 -23.397 -12.940 -2.125 1.00 32.56 H new ATOM 0 HZ2 LYS A 2 -24.020 -14.492 -1.833 1.00 32.56 H new ATOM 0 HZ3 LYS A 2 -25.015 -13.129 -1.645 1.00 32.56 H new ATOM 42 N GLN A 3 -21.062 -11.694 4.710 1.00 27.07 N ATOM 43 CA GLN A 3 -20.393 -11.455 5.977 1.00 26.26 C ATOM 44 C GLN A 3 -19.390 -12.569 6.296 1.00 24.89 C ATOM 45 O GLN A 3 -19.140 -13.447 5.464 1.00 24.65 O ATOM 46 CB GLN A 3 -21.425 -11.166 7.088 1.00 27.47 C ATOM 47 CG GLN A 3 -21.226 -9.761 7.671 1.00 28.08 C ATOM 48 CD GLN A 3 -21.277 -8.690 6.583 1.00 28.79 C ATOM 49 OE1 GLN A 3 -22.184 -8.662 5.760 1.00 29.73 O ATOM 50 NE2 GLN A 3 -20.279 -7.818 6.520 1.00 28.47 N ATOM 0 H GLN A 3 -20.938 -10.940 4.034 1.00 27.07 H new ATOM 0 HA GLN A 3 -19.785 -10.553 5.906 1.00 26.26 H new ATOM 0 HB2 GLN A 3 -22.434 -11.257 6.685 1.00 27.47 H new ATOM 0 HB3 GLN A 3 -21.330 -11.909 7.880 1.00 27.47 H new ATOM 0 HG2 GLN A 3 -21.997 -9.562 8.415 1.00 28.08 H new ATOM 0 HG3 GLN A 3 -20.267 -9.712 8.186 1.00 28.08 H new ATOM 0 HE21 GLN A 3 -19.529 -7.850 7.211 1.00 28.47 H new ATOM 0 HE22 GLN A 3 -20.262 -7.115 5.781 1.00 28.47 H new ATOM 59 N ASP A 4 -18.791 -12.436 7.479 1.00 24.12 N ATOM 60 CA ASP A 4 -17.800 -13.279 8.136 1.00 22.88 C ATOM 61 C ASP A 4 -16.768 -13.863 7.165 1.00 21.17 C ATOM 62 O ASP A 4 -16.253 -13.144 6.308 1.00 20.86 O ATOM 63 CB ASP A 4 -18.506 -14.282 9.069 1.00 23.81 C ATOM 64 CG ASP A 4 -19.210 -13.579 10.236 1.00 25.06 C ATOM 65 OD1 ASP A 4 -19.580 -12.392 10.069 1.00 26.12 O ATOM 66 OD2 ASP A 4 -19.351 -14.234 11.290 1.00 25.10 O ATOM 0 H ASP A 4 -19.019 -11.636 8.069 1.00 24.12 H new ATOM 0 HA ASP A 4 -17.172 -12.666 8.783 1.00 22.88 H new ATOM 0 HB2 ASP A 4 -19.235 -14.857 8.499 1.00 23.81 H new ATOM 0 HB3 ASP A 4 -17.776 -14.991 9.459 1.00 23.81 H new ATOM 71 N GLY A 5 -16.367 -15.121 7.349 1.00 20.17 N ATOM 72 CA GLY A 5 -15.202 -15.688 6.699 1.00 18.56 C ATOM 73 C GLY A 5 -14.888 -17.004 7.396 1.00 17.64 C ATOM 74 O GLY A 5 -15.777 -17.838 7.528 1.00 18.28 O ATOM 0 H GLY A 5 -16.852 -15.776 7.962 1.00 20.17 H new ATOM 0 HA2 GLY A 5 -15.395 -15.852 5.639 1.00 18.56 H new ATOM 0 HA3 GLY A 5 -14.355 -15.006 6.767 1.00 18.56 H new ATOM 78 N GLU A 6 -13.657 -17.173 7.880 1.00 16.38 N ATOM 79 CA GLU A 6 -13.272 -18.344 8.646 1.00 15.63 C ATOM 80 C GLU A 6 -12.258 -17.902 9.699 1.00 14.05 C ATOM 81 O GLU A 6 -12.617 -17.728 10.860 1.00 14.41 O ATOM 82 CB GLU A 6 -12.776 -19.456 7.700 1.00 15.92 C ATOM 83 CG GLU A 6 -13.567 -20.753 7.925 1.00 16.72 C ATOM 84 CD GLU A 6 -13.361 -21.778 6.804 1.00 17.47 C ATOM 85 OE1 GLU A 6 -12.396 -21.616 6.024 1.00 17.23 O ATOM 86 OE2 GLU A 6 -14.193 -22.711 6.729 1.00 18.48 O ATOM 0 H GLU A 6 -12.904 -16.498 7.748 1.00 16.38 H new ATOM 0 HA GLU A 6 -14.117 -18.784 9.176 1.00 15.63 H new ATOM 0 HB2 GLU A 6 -12.883 -19.134 6.664 1.00 15.92 H new ATOM 0 HB3 GLU A 6 -11.715 -19.638 7.869 1.00 15.92 H new ATOM 0 HG2 GLU A 6 -13.267 -21.196 8.875 1.00 16.72 H new ATOM 0 HG3 GLU A 6 -14.628 -20.517 8.004 1.00 16.72 H new ATOM 93 N GLU A 7 -11.016 -17.632 9.300 1.00 12.57 N ATOM 94 CA GLU A 7 -9.982 -17.149 10.200 1.00 11.07 C ATOM 95 C GLU A 7 -8.977 -16.332 9.390 1.00 9.86 C ATOM 96 O GLU A 7 -8.842 -16.543 8.186 1.00 10.26 O ATOM 97 CB GLU A 7 -9.323 -18.336 10.922 1.00 10.92 C ATOM 98 CG GLU A 7 -8.645 -19.335 9.972 1.00 10.62 C ATOM 99 CD GLU A 7 -8.443 -20.688 10.656 1.00 11.24 C ATOM 100 OE1 GLU A 7 -9.438 -21.443 10.741 1.00 12.30 O ATOM 101 OE2 GLU A 7 -7.302 -20.948 11.099 1.00 10.98 O ATOM 0 H GLU A 7 -10.702 -17.745 8.336 1.00 12.57 H new ATOM 0 HA GLU A 7 -10.407 -16.504 10.970 1.00 11.07 H new ATOM 0 HB2 GLU A 7 -8.582 -17.956 11.626 1.00 10.92 H new ATOM 0 HB3 GLU A 7 -10.079 -18.860 11.507 1.00 10.92 H new ATOM 0 HG2 GLU A 7 -9.254 -19.463 9.077 1.00 10.62 H new ATOM 0 HG3 GLU A 7 -7.682 -18.939 9.648 1.00 10.62 H new ATOM 108 N GLY A 8 -8.294 -15.380 10.033 1.00 8.76 N ATOM 109 CA GLY A 8 -7.328 -14.519 9.368 1.00 7.81 C ATOM 110 C GLY A 8 -7.348 -13.126 9.985 1.00 7.20 C ATOM 111 O GLY A 8 -8.311 -12.386 9.806 1.00 8.09 O ATOM 0 H GLY A 8 -8.400 -15.189 11.029 1.00 8.76 H new ATOM 0 HA2 GLY A 8 -6.329 -14.948 9.453 1.00 7.81 H new ATOM 0 HA3 GLY A 8 -7.558 -14.456 8.304 1.00 7.81 H new ATOM 115 N THR A 9 -6.301 -12.759 10.722 1.00 6.04 N ATOM 116 CA THR A 9 -6.128 -11.410 11.242 1.00 5.56 C ATOM 117 C THR A 9 -4.651 -11.243 11.601 1.00 4.22 C ATOM 118 O THR A 9 -4.028 -12.207 12.041 1.00 4.36 O ATOM 119 CB THR A 9 -7.085 -11.149 12.410 1.00 6.55 C ATOM 120 OG1 THR A 9 -6.895 -9.846 12.916 1.00 6.74 O ATOM 121 CG2 THR A 9 -6.897 -12.163 13.528 1.00 6.92 C ATOM 0 H THR A 9 -5.546 -13.396 10.975 1.00 6.04 H new ATOM 0 HA THR A 9 -6.387 -10.657 10.497 1.00 5.56 H new ATOM 0 HB THR A 9 -8.101 -11.249 12.028 1.00 6.55 H new ATOM 0 HG1 THR A 9 -7.513 -9.691 13.660 1.00 6.74 H new ATOM 0 HG21 THR A 9 -7.593 -11.945 14.338 1.00 6.92 H new ATOM 0 HG22 THR A 9 -7.088 -13.166 13.146 1.00 6.92 H new ATOM 0 HG23 THR A 9 -5.875 -12.106 13.903 1.00 6.92 H new ATOM 129 N GLU A 10 -4.086 -10.059 11.364 1.00 3.75 N ATOM 130 CA GLU A 10 -2.695 -9.712 11.634 1.00 3.27 C ATOM 131 C GLU A 10 -2.598 -8.182 11.607 1.00 2.74 C ATOM 132 O GLU A 10 -3.533 -7.519 11.154 1.00 3.31 O ATOM 133 CB GLU A 10 -1.770 -10.326 10.559 1.00 4.56 C ATOM 134 CG GLU A 10 -0.904 -11.482 11.087 1.00 5.59 C ATOM 135 CD GLU A 10 0.184 -11.028 12.064 1.00 6.16 C ATOM 136 OE1 GLU A 10 -0.021 -9.977 12.713 1.00 6.27 O ATOM 137 OE2 GLU A 10 1.204 -11.743 12.162 1.00 7.01 O ATOM 0 H GLU A 10 -4.611 -9.283 10.961 1.00 3.75 H new ATOM 0 HA GLU A 10 -2.381 -10.103 12.602 1.00 3.27 H new ATOM 0 HB2 GLU A 10 -2.378 -10.687 9.730 1.00 4.56 H new ATOM 0 HB3 GLU A 10 -1.120 -9.547 10.162 1.00 4.56 H new ATOM 0 HG2 GLU A 10 -1.546 -12.211 11.582 1.00 5.59 H new ATOM 0 HG3 GLU A 10 -0.436 -11.990 10.244 1.00 5.59 H new ATOM 144 N GLU A 11 -1.473 -7.617 12.052 1.00 2.48 N ATOM 145 CA GLU A 11 -1.143 -6.217 11.824 1.00 2.39 C ATOM 146 C GLU A 11 -1.042 -6.001 10.317 1.00 1.99 C ATOM 147 O GLU A 11 -1.829 -5.288 9.697 1.00 2.82 O ATOM 148 CB GLU A 11 0.171 -5.874 12.556 1.00 3.03 C ATOM 149 CG GLU A 11 0.592 -4.408 12.375 1.00 3.25 C ATOM 150 CD GLU A 11 1.947 -4.116 13.031 1.00 4.73 C ATOM 151 OE1 GLU A 11 1.977 -4.040 14.279 1.00 5.33 O ATOM 152 OE2 GLU A 11 2.943 -3.951 12.288 1.00 5.74 O ATOM 0 H GLU A 11 -0.765 -8.124 12.583 1.00 2.48 H new ATOM 0 HA GLU A 11 -1.911 -5.553 12.220 1.00 2.39 H new ATOM 0 HB2 GLU A 11 0.054 -6.084 13.619 1.00 3.03 H new ATOM 0 HB3 GLU A 11 0.966 -6.523 12.188 1.00 3.03 H new ATOM 0 HG2 GLU A 11 0.646 -4.175 11.312 1.00 3.25 H new ATOM 0 HG3 GLU A 11 -0.168 -3.756 12.806 1.00 3.25 H new ATOM 159 N ASP A 12 -0.063 -6.675 9.732 1.00 2.03 N ATOM 160 CA ASP A 12 0.224 -6.640 8.315 1.00 1.60 C ATOM 161 C ASP A 12 -0.683 -7.630 7.615 1.00 1.59 C ATOM 162 O ASP A 12 -0.244 -8.693 7.179 1.00 2.20 O ATOM 163 CB ASP A 12 1.695 -6.997 8.062 1.00 1.83 C ATOM 164 CG ASP A 12 2.620 -5.902 8.560 1.00 2.80 C ATOM 165 OD1 ASP A 12 2.249 -4.719 8.412 1.00 3.73 O ATOM 166 OD2 ASP A 12 3.726 -6.217 9.048 1.00 3.63 O ATOM 0 H ASP A 12 0.572 -7.280 10.253 1.00 2.03 H new ATOM 0 HA ASP A 12 0.047 -5.637 7.927 1.00 1.60 H new ATOM 0 HB2 ASP A 12 1.935 -7.935 8.563 1.00 1.83 H new ATOM 0 HB3 ASP A 12 1.855 -7.155 6.995 1.00 1.83 H new ATOM 171 N THR A 13 -1.956 -7.277 7.444 1.00 1.43 N ATOM 172 CA THR A 13 -2.683 -7.938 6.380 1.00 1.35 C ATOM 173 C THR A 13 -2.044 -7.445 5.079 1.00 1.17 C ATOM 174 O THR A 13 -2.084 -6.252 4.756 1.00 1.88 O ATOM 175 CB THR A 13 -4.198 -7.733 6.494 1.00 1.60 C ATOM 176 OG1 THR A 13 -4.856 -8.779 5.815 1.00 1.92 O ATOM 177 CG2 THR A 13 -4.680 -6.414 5.910 1.00 1.51 C ATOM 0 H THR A 13 -2.471 -6.586 7.989 1.00 1.43 H new ATOM 0 HA THR A 13 -2.601 -9.024 6.429 1.00 1.35 H new ATOM 0 HB THR A 13 -4.430 -7.724 7.559 1.00 1.60 H new ATOM 0 HG1 THR A 13 -5.826 -8.655 5.885 1.00 1.92 H new ATOM 0 HG21 THR A 13 -5.761 -6.338 6.026 1.00 1.51 H new ATOM 0 HG22 THR A 13 -4.200 -5.587 6.433 1.00 1.51 H new ATOM 0 HG23 THR A 13 -4.425 -6.370 4.851 1.00 1.51 H new ATOM 185 N GLU A 14 -1.385 -8.350 4.363 1.00 0.71 N ATOM 186 CA GLU A 14 -0.939 -8.103 3.016 1.00 0.66 C ATOM 187 C GLU A 14 -1.959 -8.745 2.089 1.00 0.85 C ATOM 188 O GLU A 14 -2.436 -9.848 2.349 1.00 1.48 O ATOM 189 CB GLU A 14 0.474 -8.665 2.785 1.00 0.97 C ATOM 190 CG GLU A 14 0.670 -10.141 3.157 1.00 1.84 C ATOM 191 CD GLU A 14 1.953 -10.683 2.522 1.00 2.32 C ATOM 192 OE1 GLU A 14 1.886 -11.041 1.325 1.00 2.95 O ATOM 193 OE2 GLU A 14 2.984 -10.714 3.227 1.00 3.14 O ATOM 0 H GLU A 14 -1.149 -9.279 4.713 1.00 0.71 H new ATOM 0 HA GLU A 14 -0.870 -7.033 2.820 1.00 0.66 H new ATOM 0 HB2 GLU A 14 0.729 -8.537 1.733 1.00 0.97 H new ATOM 0 HB3 GLU A 14 1.182 -8.067 3.359 1.00 0.97 H new ATOM 0 HG2 GLU A 14 0.720 -10.246 4.241 1.00 1.84 H new ATOM 0 HG3 GLU A 14 -0.186 -10.725 2.819 1.00 1.84 H new ATOM 200 N GLU A 15 -2.314 -8.064 1.007 1.00 0.81 N ATOM 201 CA GLU A 15 -3.079 -8.687 -0.051 1.00 1.01 C ATOM 202 C GLU A 15 -2.691 -8.044 -1.387 1.00 1.08 C ATOM 203 O GLU A 15 -1.762 -7.241 -1.453 1.00 2.27 O ATOM 204 CB GLU A 15 -4.583 -8.582 0.258 1.00 1.36 C ATOM 205 CG GLU A 15 -5.319 -9.875 -0.118 1.00 1.74 C ATOM 206 CD GLU A 15 -6.835 -9.679 -0.091 1.00 2.30 C ATOM 207 OE1 GLU A 15 -7.340 -9.080 -1.070 1.00 3.25 O ATOM 208 OE2 GLU A 15 -7.481 -10.124 0.880 1.00 2.76 O ATOM 0 H GLU A 15 -2.083 -7.084 0.845 1.00 0.81 H new ATOM 0 HA GLU A 15 -2.853 -9.751 -0.121 1.00 1.01 H new ATOM 0 HB2 GLU A 15 -4.725 -8.375 1.319 1.00 1.36 H new ATOM 0 HB3 GLU A 15 -5.012 -7.744 -0.291 1.00 1.36 H new ATOM 0 HG2 GLU A 15 -5.009 -10.196 -1.112 1.00 1.74 H new ATOM 0 HG3 GLU A 15 -5.040 -10.669 0.575 1.00 1.74 H new ATOM 215 N LYS A 16 -3.397 -8.412 -2.457 1.00 0.74 N ATOM 216 CA LYS A 16 -3.233 -7.859 -3.797 1.00 0.57 C ATOM 217 C LYS A 16 -3.157 -6.333 -3.772 1.00 0.52 C ATOM 218 O LYS A 16 -3.935 -5.682 -3.074 1.00 0.73 O ATOM 219 CB LYS A 16 -4.346 -8.349 -4.730 1.00 0.71 C ATOM 220 CG LYS A 16 -5.710 -8.317 -4.046 1.00 1.79 C ATOM 221 CD LYS A 16 -6.865 -8.431 -5.043 1.00 2.71 C ATOM 222 CE LYS A 16 -8.147 -8.844 -4.309 1.00 3.67 C ATOM 223 NZ LYS A 16 -8.438 -7.972 -3.155 1.00 4.45 N ATOM 0 H LYS A 16 -4.122 -9.127 -2.410 1.00 0.74 H new ATOM 0 HA LYS A 16 -2.283 -8.220 -4.190 1.00 0.57 H new ATOM 0 HB2 LYS A 16 -4.372 -7.726 -5.624 1.00 0.71 H new ATOM 0 HB3 LYS A 16 -4.126 -9.365 -5.056 1.00 0.71 H new ATOM 0 HG2 LYS A 16 -5.772 -9.134 -3.327 1.00 1.79 H new ATOM 0 HG3 LYS A 16 -5.810 -7.389 -3.483 1.00 1.79 H new ATOM 0 HD2 LYS A 16 -7.016 -7.477 -5.549 1.00 2.71 H new ATOM 0 HD3 LYS A 16 -6.623 -9.165 -5.812 1.00 2.71 H new ATOM 0 HE2 LYS A 16 -8.986 -8.815 -5.004 1.00 3.67 H new ATOM 0 HE3 LYS A 16 -8.051 -9.875 -3.968 1.00 3.67 H new ATOM 0 HZ1 LYS A 16 -9.443 -8.056 -2.901 1.00 4.45 H new ATOM 0 HZ2 LYS A 16 -7.851 -8.260 -2.346 1.00 4.45 H new ATOM 0 HZ3 LYS A 16 -8.225 -6.985 -3.403 1.00 4.45 H new ATOM 237 N CYS A 17 -2.235 -5.760 -4.550 1.00 0.38 N ATOM 238 CA CYS A 17 -2.064 -4.332 -4.596 1.00 0.33 C ATOM 239 C CYS A 17 -3.322 -3.727 -5.214 1.00 0.36 C ATOM 240 O CYS A 17 -3.919 -4.250 -6.154 1.00 0.47 O ATOM 241 CB CYS A 17 -0.813 -3.961 -5.402 1.00 0.31 C ATOM 242 SG CYS A 17 -0.122 -2.331 -4.989 1.00 0.28 S ATOM 0 H CYS A 17 -1.599 -6.279 -5.155 1.00 0.38 H new ATOM 0 HA CYS A 17 -1.922 -3.936 -3.591 1.00 0.33 H new ATOM 0 HB2 CYS A 17 -0.049 -4.720 -5.237 1.00 0.31 H new ATOM 0 HB3 CYS A 17 -1.058 -3.981 -6.464 1.00 0.31 H new ATOM 247 N THR A 18 -3.716 -2.582 -4.692 1.00 0.35 N ATOM 248 CA THR A 18 -4.903 -1.886 -5.131 1.00 0.37 C ATOM 249 C THR A 18 -4.495 -0.628 -5.863 1.00 0.36 C ATOM 250 O THR A 18 -5.164 -0.223 -6.806 1.00 0.45 O ATOM 251 CB THR A 18 -5.781 -1.571 -3.928 1.00 0.50 C ATOM 252 OG1 THR A 18 -5.006 -0.952 -2.927 1.00 2.51 O ATOM 253 CG2 THR A 18 -6.403 -2.846 -3.356 1.00 2.20 C ATOM 0 H THR A 18 -3.213 -2.106 -3.943 1.00 0.35 H new ATOM 0 HA THR A 18 -5.480 -2.510 -5.814 1.00 0.37 H new ATOM 0 HB THR A 18 -6.579 -0.904 -4.254 1.00 0.50 H new ATOM 0 HG1 THR A 18 -4.556 -1.638 -2.391 1.00 2.51 H new ATOM 0 HG21 THR A 18 -7.026 -2.594 -2.498 1.00 2.20 H new ATOM 0 HG22 THR A 18 -7.015 -3.326 -4.119 1.00 2.20 H new ATOM 0 HG23 THR A 18 -5.612 -3.528 -3.043 1.00 2.20 H new ATOM 261 N ILE A 19 -3.367 -0.036 -5.472 1.00 0.30 N ATOM 262 CA ILE A 19 -2.826 1.118 -6.147 1.00 0.32 C ATOM 263 C ILE A 19 -2.385 0.697 -7.544 1.00 0.35 C ATOM 264 O ILE A 19 -2.620 1.421 -8.505 1.00 0.44 O ATOM 265 CB ILE A 19 -1.696 1.703 -5.289 1.00 0.31 C ATOM 266 CG1 ILE A 19 -2.247 2.278 -3.966 1.00 0.32 C ATOM 267 CG2 ILE A 19 -0.959 2.798 -6.051 1.00 0.38 C ATOM 268 CD1 ILE A 19 -2.075 1.301 -2.805 1.00 0.32 C ATOM 0 H ILE A 19 -2.811 -0.351 -4.677 1.00 0.30 H new ATOM 0 HA ILE A 19 -3.566 1.909 -6.273 1.00 0.32 H new ATOM 0 HB ILE A 19 -1.002 0.895 -5.059 1.00 0.31 H new ATOM 0 HG12 ILE A 19 -1.734 3.211 -3.734 1.00 0.32 H new ATOM 0 HG13 ILE A 19 -3.304 2.517 -4.086 1.00 0.32 H new ATOM 0 HG21 ILE A 19 -0.161 3.201 -5.427 1.00 0.38 H new ATOM 0 HG22 ILE A 19 -0.531 2.382 -6.963 1.00 0.38 H new ATOM 0 HG23 ILE A 19 -1.657 3.595 -6.308 1.00 0.38 H new ATOM 0 HD11 ILE A 19 -2.476 1.745 -1.894 1.00 0.32 H new ATOM 0 HD12 ILE A 19 -2.610 0.377 -3.024 1.00 0.32 H new ATOM 0 HD13 ILE A 19 -1.016 1.083 -2.667 1.00 0.32 H new ATOM 280 N CYS A 20 -1.794 -0.496 -7.670 1.00 0.33 N ATOM 281 CA CYS A 20 -1.406 -1.005 -8.979 1.00 0.40 C ATOM 282 C CYS A 20 -2.586 -1.677 -9.705 1.00 0.35 C ATOM 283 O CYS A 20 -2.373 -2.307 -10.738 1.00 0.40 O ATOM 284 CB CYS A 20 -0.257 -2.009 -8.846 1.00 0.58 C ATOM 285 SG CYS A 20 1.215 -1.255 -8.088 1.00 0.91 S ATOM 0 H CYS A 20 -1.578 -1.116 -6.889 1.00 0.33 H new ATOM 0 HA CYS A 20 -1.081 -0.149 -9.571 1.00 0.40 H new ATOM 0 HB2 CYS A 20 -0.583 -2.856 -8.243 1.00 0.58 H new ATOM 0 HB3 CYS A 20 0.001 -2.399 -9.831 1.00 0.58 H new ATOM 290 N LEU A 21 -3.808 -1.594 -9.162 1.00 0.38 N ATOM 291 CA LEU A 21 -4.991 -2.334 -9.607 1.00 0.46 C ATOM 292 C LEU A 21 -4.671 -3.773 -10.048 1.00 0.51 C ATOM 293 O LEU A 21 -5.161 -4.242 -11.072 1.00 0.83 O ATOM 294 CB LEU A 21 -5.781 -1.560 -10.666 1.00 0.55 C ATOM 295 CG LEU A 21 -6.731 -0.537 -10.036 1.00 0.68 C ATOM 296 CD1 LEU A 21 -6.030 0.788 -9.758 1.00 0.79 C ATOM 297 CD2 LEU A 21 -7.920 -0.286 -10.965 1.00 1.04 C ATOM 0 H LEU A 21 -4.005 -0.984 -8.369 1.00 0.38 H new ATOM 0 HA LEU A 21 -5.637 -2.432 -8.735 1.00 0.46 H new ATOM 0 HB2 LEU A 21 -5.088 -1.048 -11.334 1.00 0.55 H new ATOM 0 HB3 LEU A 21 -6.353 -2.260 -11.275 1.00 0.55 H new ATOM 0 HG LEU A 21 -7.074 -0.951 -9.088 1.00 0.68 H new ATOM 0 HD11 LEU A 21 -6.737 1.487 -9.311 1.00 0.79 H new ATOM 0 HD12 LEU A 21 -5.200 0.623 -9.071 1.00 0.79 H new ATOM 0 HD13 LEU A 21 -5.651 1.202 -10.692 1.00 0.79 H new ATOM 0 HD21 LEU A 21 -8.590 0.443 -10.509 1.00 1.04 H new ATOM 0 HD22 LEU A 21 -7.561 0.099 -11.920 1.00 1.04 H new ATOM 0 HD23 LEU A 21 -8.457 -1.220 -11.129 1.00 1.04 H new ATOM 309 N SER A 22 -3.856 -4.491 -9.276 1.00 0.40 N ATOM 310 CA SER A 22 -3.413 -5.840 -9.624 1.00 0.43 C ATOM 311 C SER A 22 -2.697 -6.507 -8.451 1.00 0.40 C ATOM 312 O SER A 22 -2.197 -5.845 -7.547 1.00 0.36 O ATOM 313 CB SER A 22 -2.459 -5.805 -10.828 1.00 0.50 C ATOM 314 OG SER A 22 -3.177 -5.915 -12.038 1.00 1.49 O ATOM 0 H SER A 22 -3.483 -4.152 -8.389 1.00 0.40 H new ATOM 0 HA SER A 22 -4.303 -6.416 -9.876 1.00 0.43 H new ATOM 0 HB2 SER A 22 -1.890 -4.875 -10.820 1.00 0.50 H new ATOM 0 HB3 SER A 22 -1.739 -6.620 -10.751 1.00 0.50 H new ATOM 0 HG SER A 22 -3.998 -5.382 -11.981 1.00 1.49 H new ATOM 320 N ILE A 23 -2.616 -7.838 -8.491 1.00 0.50 N ATOM 321 CA ILE A 23 -1.847 -8.646 -7.566 1.00 0.49 C ATOM 322 C ILE A 23 -0.427 -8.104 -7.388 1.00 0.47 C ATOM 323 O ILE A 23 0.138 -7.479 -8.284 1.00 0.48 O ATOM 324 CB ILE A 23 -1.898 -10.125 -7.979 1.00 0.55 C ATOM 325 CG1 ILE A 23 -1.524 -10.424 -9.438 1.00 0.59 C ATOM 326 CG2 ILE A 23 -3.306 -10.673 -7.741 1.00 0.71 C ATOM 327 CD1 ILE A 23 -0.027 -10.634 -9.580 1.00 2.04 C ATOM 0 H ILE A 23 -3.103 -8.394 -9.194 1.00 0.50 H new ATOM 0 HA ILE A 23 -2.302 -8.582 -6.578 1.00 0.49 H new ATOM 0 HB ILE A 23 -1.141 -10.607 -7.361 1.00 0.55 H new ATOM 0 HG12 ILE A 23 -2.054 -11.313 -9.779 1.00 0.59 H new ATOM 0 HG13 ILE A 23 -1.842 -9.599 -10.076 1.00 0.59 H new ATOM 0 HG21 ILE A 23 -3.342 -11.722 -8.034 1.00 0.71 H new ATOM 0 HG22 ILE A 23 -3.558 -10.582 -6.684 1.00 0.71 H new ATOM 0 HG23 ILE A 23 -4.023 -10.105 -8.335 1.00 0.71 H new ATOM 0 HD11 ILE A 23 0.214 -10.844 -10.622 1.00 2.04 H new ATOM 0 HD12 ILE A 23 0.499 -9.734 -9.261 1.00 2.04 H new ATOM 0 HD13 ILE A 23 0.283 -11.475 -8.959 1.00 2.04 H new ATOM 339 N LEU A 24 0.139 -8.327 -6.201 1.00 0.48 N ATOM 340 CA LEU A 24 1.526 -8.038 -5.934 1.00 0.50 C ATOM 341 C LEU A 24 2.405 -8.946 -6.780 1.00 0.61 C ATOM 342 O LEU A 24 1.976 -9.988 -7.269 1.00 0.70 O ATOM 343 CB LEU A 24 1.823 -8.253 -4.444 1.00 0.57 C ATOM 344 CG LEU A 24 1.473 -7.040 -3.580 1.00 0.49 C ATOM 345 CD1 LEU A 24 1.632 -7.359 -2.094 1.00 0.65 C ATOM 346 CD2 LEU A 24 2.361 -5.841 -3.902 1.00 0.59 C ATOM 0 H LEU A 24 -0.364 -8.715 -5.403 1.00 0.48 H new ATOM 0 HA LEU A 24 1.737 -6.999 -6.188 1.00 0.50 H new ATOM 0 HB2 LEU A 24 1.262 -9.118 -4.089 1.00 0.57 H new ATOM 0 HB3 LEU A 24 2.881 -8.486 -4.321 1.00 0.57 H new ATOM 0 HG LEU A 24 0.435 -6.795 -3.803 1.00 0.49 H new ATOM 0 HD11 LEU A 24 1.377 -6.479 -1.504 1.00 0.65 H new ATOM 0 HD12 LEU A 24 0.969 -8.181 -1.825 1.00 0.65 H new ATOM 0 HD13 LEU A 24 2.664 -7.645 -1.892 1.00 0.65 H new ATOM 0 HD21 LEU A 24 2.081 -5.000 -3.268 1.00 0.59 H new ATOM 0 HD22 LEU A 24 3.404 -6.101 -3.720 1.00 0.59 H new ATOM 0 HD23 LEU A 24 2.233 -5.564 -4.948 1.00 0.59 H new ATOM 358 N GLU A 25 3.659 -8.538 -6.912 1.00 0.70 N ATOM 359 CA GLU A 25 4.637 -9.182 -7.768 1.00 0.88 C ATOM 360 C GLU A 25 5.978 -9.150 -7.051 1.00 0.72 C ATOM 361 O GLU A 25 6.263 -8.196 -6.322 1.00 0.82 O ATOM 362 CB GLU A 25 4.706 -8.486 -9.136 1.00 1.19 C ATOM 363 CG GLU A 25 5.066 -7.013 -8.955 1.00 1.11 C ATOM 364 CD GLU A 25 5.000 -6.185 -10.233 1.00 1.38 C ATOM 365 OE1 GLU A 25 5.554 -6.640 -11.257 1.00 2.13 O ATOM 366 OE2 GLU A 25 4.415 -5.081 -10.136 1.00 2.37 O ATOM 0 H GLU A 25 4.031 -7.730 -6.413 1.00 0.70 H new ATOM 0 HA GLU A 25 4.353 -10.216 -7.961 1.00 0.88 H new ATOM 0 HB2 GLU A 25 5.449 -8.976 -9.765 1.00 1.19 H new ATOM 0 HB3 GLU A 25 3.747 -8.574 -9.647 1.00 1.19 H new ATOM 0 HG2 GLU A 25 4.392 -6.575 -8.218 1.00 1.11 H new ATOM 0 HG3 GLU A 25 6.074 -6.946 -8.545 1.00 1.11 H new ATOM 373 N GLU A 26 6.797 -10.178 -7.275 1.00 0.99 N ATOM 374 CA GLU A 26 8.164 -10.266 -6.799 1.00 1.26 C ATOM 375 C GLU A 26 9.024 -9.331 -7.650 1.00 1.58 C ATOM 376 O GLU A 26 9.768 -9.776 -8.521 1.00 1.99 O ATOM 377 CB GLU A 26 8.651 -11.722 -6.920 1.00 1.88 C ATOM 378 CG GLU A 26 7.908 -12.696 -5.994 1.00 2.10 C ATOM 379 CD GLU A 26 8.380 -12.580 -4.545 1.00 2.44 C ATOM 380 OE1 GLU A 26 8.206 -11.482 -3.973 1.00 3.52 O ATOM 381 OE2 GLU A 26 8.910 -13.591 -4.033 1.00 2.91 O ATOM 0 H GLU A 26 6.510 -10.997 -7.812 1.00 0.99 H new ATOM 0 HA GLU A 26 8.234 -9.969 -5.753 1.00 1.26 H new ATOM 0 HB2 GLU A 26 8.532 -12.052 -7.952 1.00 1.88 H new ATOM 0 HB3 GLU A 26 9.717 -11.760 -6.694 1.00 1.88 H new ATOM 0 HG2 GLU A 26 6.837 -12.498 -6.044 1.00 2.10 H new ATOM 0 HG3 GLU A 26 8.060 -13.717 -6.344 1.00 2.10 H new ATOM 388 N GLY A 27 8.887 -8.024 -7.429 1.00 1.83 N ATOM 389 CA GLY A 27 9.589 -7.013 -8.203 1.00 2.48 C ATOM 390 C GLY A 27 10.751 -6.478 -7.384 1.00 1.97 C ATOM 391 O GLY A 27 11.912 -6.725 -7.696 1.00 2.19 O ATOM 0 H GLY A 27 8.282 -7.640 -6.703 1.00 1.83 H new ATOM 0 HA2 GLY A 27 9.953 -7.440 -9.137 1.00 2.48 H new ATOM 0 HA3 GLY A 27 8.910 -6.202 -8.466 1.00 2.48 H new ATOM 395 N GLU A 28 10.436 -5.747 -6.317 1.00 1.38 N ATOM 396 CA GLU A 28 11.403 -5.238 -5.378 1.00 0.90 C ATOM 397 C GLU A 28 10.799 -5.294 -3.979 1.00 0.70 C ATOM 398 O GLU A 28 9.838 -6.028 -3.743 1.00 0.90 O ATOM 399 CB GLU A 28 11.774 -3.815 -5.790 1.00 1.21 C ATOM 400 CG GLU A 28 13.267 -3.612 -5.525 1.00 1.40 C ATOM 401 CD GLU A 28 13.598 -2.146 -5.272 1.00 1.93 C ATOM 402 OE1 GLU A 28 13.533 -1.772 -4.080 1.00 3.04 O ATOM 403 OE2 GLU A 28 13.900 -1.435 -6.256 1.00 2.71 O ATOM 0 H GLU A 28 9.476 -5.492 -6.086 1.00 1.38 H new ATOM 0 HA GLU A 28 12.314 -5.837 -5.374 1.00 0.90 H new ATOM 0 HB2 GLU A 28 11.550 -3.655 -6.845 1.00 1.21 H new ATOM 0 HB3 GLU A 28 11.186 -3.091 -5.226 1.00 1.21 H new ATOM 0 HG2 GLU A 28 13.568 -4.208 -4.663 1.00 1.40 H new ATOM 0 HG3 GLU A 28 13.841 -3.973 -6.378 1.00 1.40 H new ATOM 410 N ASP A 29 11.373 -4.535 -3.051 1.00 0.48 N ATOM 411 CA ASP A 29 10.969 -4.562 -1.655 1.00 0.40 C ATOM 412 C ASP A 29 9.538 -4.051 -1.494 1.00 0.43 C ATOM 413 O ASP A 29 9.069 -3.168 -2.218 1.00 0.59 O ATOM 414 CB ASP A 29 11.935 -3.738 -0.803 1.00 0.63 C ATOM 415 CG ASP A 29 11.546 -3.814 0.672 1.00 1.66 C ATOM 416 OD1 ASP A 29 11.247 -4.937 1.130 1.00 2.46 O ATOM 417 OD2 ASP A 29 11.525 -2.752 1.338 1.00 2.65 O ATOM 0 H ASP A 29 12.133 -3.884 -3.249 1.00 0.48 H new ATOM 0 HA ASP A 29 11.000 -5.595 -1.310 1.00 0.40 H new ATOM 0 HB2 ASP A 29 12.952 -4.107 -0.936 1.00 0.63 H new ATOM 0 HB3 ASP A 29 11.926 -2.700 -1.134 1.00 0.63 H new ATOM 422 N VAL A 30 8.827 -4.595 -0.512 1.00 0.44 N ATOM 423 CA VAL A 30 7.494 -4.146 -0.194 1.00 0.48 C ATOM 424 C VAL A 30 7.518 -3.250 1.037 1.00 0.42 C ATOM 425 O VAL A 30 8.528 -3.142 1.726 1.00 0.46 O ATOM 426 CB VAL A 30 6.559 -5.321 -0.005 1.00 0.59 C ATOM 427 CG1 VAL A 30 6.299 -6.002 -1.338 1.00 0.74 C ATOM 428 CG2 VAL A 30 7.066 -6.307 1.034 1.00 0.62 C ATOM 0 H VAL A 30 9.165 -5.355 0.078 1.00 0.44 H new ATOM 0 HA VAL A 30 7.115 -3.560 -1.031 1.00 0.48 H new ATOM 0 HB VAL A 30 5.616 -4.933 0.380 1.00 0.59 H new ATOM 0 HG11 VAL A 30 5.625 -6.846 -1.190 1.00 0.74 H new ATOM 0 HG12 VAL A 30 5.844 -5.291 -2.027 1.00 0.74 H new ATOM 0 HG13 VAL A 30 7.241 -6.359 -1.754 1.00 0.74 H new ATOM 0 HG21 VAL A 30 6.358 -7.130 1.130 1.00 0.62 H new ATOM 0 HG22 VAL A 30 8.035 -6.697 0.723 1.00 0.62 H new ATOM 0 HG23 VAL A 30 7.169 -5.802 1.995 1.00 0.62 H new ATOM 438 N ARG A 31 6.397 -2.603 1.343 1.00 0.39 N ATOM 439 CA ARG A 31 6.290 -1.820 2.567 1.00 0.45 C ATOM 440 C ARG A 31 4.835 -1.632 2.948 1.00 0.42 C ATOM 441 O ARG A 31 3.963 -1.588 2.087 1.00 0.47 O ATOM 442 CB ARG A 31 6.983 -0.462 2.398 1.00 0.49 C ATOM 443 CG ARG A 31 7.897 -0.090 3.567 1.00 0.62 C ATOM 444 CD ARG A 31 9.118 -1.013 3.575 1.00 1.39 C ATOM 445 NE ARG A 31 10.151 -0.569 4.515 1.00 1.80 N ATOM 446 CZ ARG A 31 11.302 -1.226 4.705 1.00 2.50 C ATOM 447 NH1 ARG A 31 11.585 -2.317 3.998 1.00 3.19 N ATOM 448 NH2 ARG A 31 12.176 -0.784 5.610 1.00 2.84 N ATOM 0 H ARG A 31 5.557 -2.606 0.765 1.00 0.39 H new ATOM 0 HA ARG A 31 6.789 -2.362 3.370 1.00 0.45 H new ATOM 0 HB2 ARG A 31 7.569 -0.475 1.479 1.00 0.49 H new ATOM 0 HB3 ARG A 31 6.224 0.312 2.281 1.00 0.49 H new ATOM 0 HG2 ARG A 31 8.214 0.949 3.478 1.00 0.62 H new ATOM 0 HG3 ARG A 31 7.355 -0.178 4.509 1.00 0.62 H new ATOM 0 HD2 ARG A 31 8.804 -2.024 3.836 1.00 1.39 H new ATOM 0 HD3 ARG A 31 9.541 -1.060 2.571 1.00 1.39 H new ATOM 0 HE ARG A 31 9.985 0.283 5.051 1.00 1.80 H new ATOM 0 HH11 ARG A 31 10.922 -2.661 3.303 1.00 3.19 H new ATOM 0 HH12 ARG A 31 12.465 -2.810 4.151 1.00 3.19 H new ATOM 0 HH21 ARG A 31 11.967 0.052 6.155 1.00 2.84 H new ATOM 0 HH22 ARG A 31 13.054 -1.282 5.757 1.00 2.84 H new ATOM 462 N ARG A 32 4.563 -1.486 4.243 1.00 0.45 N ATOM 463 CA ARG A 32 3.220 -1.278 4.727 1.00 0.46 C ATOM 464 C ARG A 32 3.029 0.168 5.120 1.00 0.44 C ATOM 465 O ARG A 32 3.980 0.814 5.561 1.00 0.50 O ATOM 466 CB ARG A 32 2.928 -2.258 5.866 1.00 0.61 C ATOM 467 CG ARG A 32 3.789 -2.086 7.128 1.00 0.76 C ATOM 468 CD ARG A 32 4.614 -3.341 7.431 1.00 1.19 C ATOM 469 NE ARG A 32 4.717 -3.561 8.880 1.00 1.64 N ATOM 470 CZ ARG A 32 5.641 -3.185 9.758 1.00 2.14 C ATOM 471 NH1 ARG A 32 6.759 -2.592 9.340 1.00 3.30 N ATOM 472 NH2 ARG A 32 5.438 -3.399 11.056 1.00 2.70 N ATOM 0 H ARG A 32 5.272 -1.510 4.976 1.00 0.45 H new ATOM 0 HA ARG A 32 2.496 -1.482 3.938 1.00 0.46 H new ATOM 0 HB2 ARG A 32 1.880 -2.158 6.147 1.00 0.61 H new ATOM 0 HB3 ARG A 32 3.063 -3.273 5.492 1.00 0.61 H new ATOM 0 HG2 ARG A 32 4.457 -1.235 6.999 1.00 0.76 H new ATOM 0 HG3 ARG A 32 3.146 -1.860 7.979 1.00 0.76 H new ATOM 0 HD2 ARG A 32 4.152 -4.208 6.959 1.00 1.19 H new ATOM 0 HD3 ARG A 32 5.611 -3.238 7.003 1.00 1.19 H new ATOM 0 HE ARG A 32 3.946 -4.095 9.281 1.00 1.64 H new ATOM 0 HH11 ARG A 32 6.907 -2.426 8.345 1.00 3.30 H new ATOM 0 HH12 ARG A 32 7.467 -2.304 10.016 1.00 3.30 H new ATOM 0 HH21 ARG A 32 4.578 -3.849 11.370 1.00 2.70 H new ATOM 0 HH22 ARG A 32 6.142 -3.113 11.736 1.00 2.70 H new ATOM 486 N LEU A 33 1.818 0.689 4.928 1.00 0.41 N ATOM 487 CA LEU A 33 1.540 2.030 5.427 1.00 0.44 C ATOM 488 C LEU A 33 1.405 1.910 6.943 1.00 0.57 C ATOM 489 O LEU A 33 0.904 0.895 7.424 1.00 0.70 O ATOM 490 CB LEU A 33 0.315 2.733 4.814 1.00 0.57 C ATOM 491 CG LEU A 33 -0.311 2.098 3.583 1.00 0.50 C ATOM 492 CD1 LEU A 33 -1.489 1.233 4.015 1.00 1.06 C ATOM 493 CD2 LEU A 33 -0.776 3.176 2.607 1.00 0.99 C ATOM 0 H LEU A 33 1.045 0.225 4.451 1.00 0.41 H new ATOM 0 HA LEU A 33 2.365 2.675 5.126 1.00 0.44 H new ATOM 0 HB2 LEU A 33 -0.453 2.804 5.584 1.00 0.57 H new ATOM 0 HB3 LEU A 33 0.605 3.752 4.557 1.00 0.57 H new ATOM 0 HG LEU A 33 0.430 1.479 3.078 1.00 0.50 H new ATOM 0 HD11 LEU A 33 -1.944 0.774 3.138 1.00 1.06 H new ATOM 0 HD12 LEU A 33 -1.139 0.454 4.692 1.00 1.06 H new ATOM 0 HD13 LEU A 33 -2.227 1.852 4.524 1.00 1.06 H new ATOM 0 HD21 LEU A 33 -1.222 2.706 1.731 1.00 0.99 H new ATOM 0 HD22 LEU A 33 -1.515 3.812 3.093 1.00 0.99 H new ATOM 0 HD23 LEU A 33 0.077 3.781 2.299 1.00 0.99 H new ATOM 505 N PRO A 34 1.784 2.943 7.705 1.00 0.59 N ATOM 506 CA PRO A 34 1.800 2.875 9.158 1.00 0.66 C ATOM 507 C PRO A 34 0.435 2.635 9.816 1.00 0.65 C ATOM 508 O PRO A 34 0.382 2.510 11.035 1.00 0.79 O ATOM 509 CB PRO A 34 2.455 4.172 9.642 1.00 0.74 C ATOM 510 CG PRO A 34 2.624 5.068 8.411 1.00 0.64 C ATOM 511 CD PRO A 34 2.414 4.152 7.207 1.00 0.54 C ATOM 0 HA PRO A 34 2.365 1.994 9.462 1.00 0.66 H new ATOM 0 HB2 PRO A 34 1.836 4.661 10.394 1.00 0.74 H new ATOM 0 HB3 PRO A 34 3.419 3.968 10.107 1.00 0.74 H new ATOM 0 HG2 PRO A 34 1.899 5.882 8.416 1.00 0.64 H new ATOM 0 HG3 PRO A 34 3.614 5.523 8.390 1.00 0.64 H new ATOM 0 HD2 PRO A 34 1.786 4.635 6.459 1.00 0.54 H new ATOM 0 HD3 PRO A 34 3.365 3.922 6.725 1.00 0.54 H new ATOM 519 N CYS A 35 -0.662 2.561 9.052 1.00 0.60 N ATOM 520 CA CYS A 35 -1.952 2.195 9.605 1.00 0.67 C ATOM 521 C CYS A 35 -1.944 0.732 10.058 1.00 0.73 C ATOM 522 O CYS A 35 -2.529 0.441 11.095 1.00 1.00 O ATOM 523 CB CYS A 35 -3.075 2.442 8.581 1.00 0.93 C ATOM 524 SG CYS A 35 -3.032 1.341 7.132 1.00 1.40 S ATOM 0 H CYS A 35 -0.672 2.752 8.050 1.00 0.60 H new ATOM 0 HA CYS A 35 -2.143 2.824 10.475 1.00 0.67 H new ATOM 0 HB2 CYS A 35 -4.037 2.326 9.081 1.00 0.93 H new ATOM 0 HB3 CYS A 35 -3.016 3.475 8.238 1.00 0.93 H new ATOM 529 N MET A 36 -1.356 -0.165 9.248 1.00 0.57 N ATOM 530 CA MET A 36 -1.377 -1.623 9.331 1.00 0.56 C ATOM 531 C MET A 36 -1.184 -2.243 7.941 1.00 0.51 C ATOM 532 O MET A 36 -0.311 -3.074 7.737 1.00 0.69 O ATOM 533 CB MET A 36 -2.679 -2.144 9.961 1.00 0.61 C ATOM 534 CG MET A 36 -2.499 -2.422 11.456 1.00 1.67 C ATOM 535 SD MET A 36 -4.038 -2.465 12.413 1.00 2.67 S ATOM 536 CE MET A 36 -3.355 -2.051 14.039 1.00 4.25 C ATOM 0 H MET A 36 -0.806 0.148 8.448 1.00 0.57 H new ATOM 0 HA MET A 36 -0.551 -1.921 9.977 1.00 0.56 H new ATOM 0 HB2 MET A 36 -3.474 -1.412 9.818 1.00 0.61 H new ATOM 0 HB3 MET A 36 -2.992 -3.057 9.454 1.00 0.61 H new ATOM 0 HG2 MET A 36 -1.987 -3.377 11.574 1.00 1.67 H new ATOM 0 HG3 MET A 36 -1.847 -1.657 11.877 1.00 1.67 H new ATOM 0 HE1 MET A 36 -4.158 -2.028 14.776 1.00 4.25 H new ATOM 0 HE2 MET A 36 -2.620 -2.803 14.327 1.00 4.25 H new ATOM 0 HE3 MET A 36 -2.875 -1.073 13.994 1.00 4.25 H new ATOM 546 N HIS A 37 -2.041 -1.890 6.980 1.00 0.39 N ATOM 547 CA HIS A 37 -2.141 -2.633 5.724 1.00 0.34 C ATOM 548 C HIS A 37 -0.835 -2.577 4.920 1.00 0.29 C ATOM 549 O HIS A 37 -0.177 -1.539 4.847 1.00 0.42 O ATOM 550 CB HIS A 37 -3.293 -2.086 4.874 1.00 0.38 C ATOM 551 CG HIS A 37 -4.666 -2.164 5.519 1.00 0.48 C ATOM 552 ND1 HIS A 37 -5.392 -1.187 6.232 1.00 0.43 N ATOM 553 CD2 HIS A 37 -5.426 -3.296 5.465 1.00 0.70 C ATOM 554 CE1 HIS A 37 -6.520 -1.792 6.629 1.00 0.56 C ATOM 555 NE2 HIS A 37 -6.572 -3.058 6.185 1.00 0.73 N ATOM 0 H HIS A 37 -2.675 -1.094 7.049 1.00 0.39 H new ATOM 0 HA HIS A 37 -2.335 -3.675 5.978 1.00 0.34 H new ATOM 0 HB2 HIS A 37 -3.082 -1.045 4.631 1.00 0.38 H new ATOM 0 HB3 HIS A 37 -3.320 -2.634 3.932 1.00 0.38 H new ATOM 0 HD2 HIS A 37 -5.173 -4.211 4.951 1.00 0.70 H new ATOM 0 HE1 HIS A 37 -7.287 -1.323 7.228 1.00 0.56 H new ATOM 0 HE2 HIS A 37 -7.327 -3.724 6.352 1.00 0.73 H new ATOM 563 N LEU A 38 -0.489 -3.680 4.255 1.00 0.37 N ATOM 564 CA LEU A 38 0.764 -3.804 3.504 1.00 0.39 C ATOM 565 C LEU A 38 0.535 -3.660 2.002 1.00 0.42 C ATOM 566 O LEU A 38 -0.505 -4.065 1.489 1.00 0.47 O ATOM 567 CB LEU A 38 1.468 -5.117 3.845 1.00 0.44 C ATOM 568 CG LEU A 38 2.832 -5.300 3.160 1.00 0.46 C ATOM 569 CD1 LEU A 38 3.780 -6.094 4.060 1.00 0.97 C ATOM 570 CD2 LEU A 38 2.746 -6.034 1.814 1.00 0.82 C ATOM 0 H LEU A 38 -1.071 -4.517 4.221 1.00 0.37 H new ATOM 0 HA LEU A 38 1.419 -2.986 3.803 1.00 0.39 H new ATOM 0 HB2 LEU A 38 1.607 -5.172 4.925 1.00 0.44 H new ATOM 0 HB3 LEU A 38 0.819 -5.947 3.565 1.00 0.44 H new ATOM 0 HG LEU A 38 3.204 -4.291 2.979 1.00 0.46 H new ATOM 0 HD11 LEU A 38 4.741 -6.214 3.560 1.00 0.97 H new ATOM 0 HD12 LEU A 38 3.924 -5.559 4.999 1.00 0.97 H new ATOM 0 HD13 LEU A 38 3.352 -7.075 4.264 1.00 0.97 H new ATOM 0 HD21 LEU A 38 3.744 -6.128 1.387 1.00 0.82 H new ATOM 0 HD22 LEU A 38 2.322 -7.026 1.967 1.00 0.82 H new ATOM 0 HD23 LEU A 38 2.111 -5.469 1.132 1.00 0.82 H new ATOM 582 N PHE A 39 1.537 -3.116 1.305 1.00 0.40 N ATOM 583 CA PHE A 39 1.544 -2.903 -0.147 1.00 0.39 C ATOM 584 C PHE A 39 2.963 -3.021 -0.719 1.00 0.38 C ATOM 585 O PHE A 39 3.883 -3.404 -0.010 1.00 0.45 O ATOM 586 CB PHE A 39 0.942 -1.523 -0.438 1.00 0.41 C ATOM 587 CG PHE A 39 -0.563 -1.556 -0.385 1.00 0.40 C ATOM 588 CD1 PHE A 39 -1.256 -2.217 -1.412 1.00 1.46 C ATOM 589 CD2 PHE A 39 -1.265 -1.020 0.709 1.00 1.47 C ATOM 590 CE1 PHE A 39 -2.653 -2.305 -1.370 1.00 1.49 C ATOM 591 CE2 PHE A 39 -2.666 -1.103 0.744 1.00 1.43 C ATOM 592 CZ PHE A 39 -3.358 -1.705 -0.323 1.00 0.36 C ATOM 0 H PHE A 39 2.398 -2.800 1.752 1.00 0.40 H new ATOM 0 HA PHE A 39 0.945 -3.673 -0.632 1.00 0.39 H new ATOM 0 HB2 PHE A 39 1.317 -0.801 0.287 1.00 0.41 H new ATOM 0 HB3 PHE A 39 1.265 -1.184 -1.422 1.00 0.41 H new ATOM 0 HD1 PHE A 39 -0.712 -2.657 -2.234 1.00 1.46 H new ATOM 0 HD2 PHE A 39 -0.729 -0.547 1.518 1.00 1.47 H new ATOM 0 HE1 PHE A 39 -3.185 -2.836 -2.146 1.00 1.49 H new ATOM 0 HE2 PHE A 39 -3.211 -0.706 1.588 1.00 1.43 H new ATOM 0 HZ PHE A 39 -4.438 -1.703 -0.333 1.00 0.36 H new ATOM 602 N HIS A 40 3.175 -2.708 -2.005 1.00 0.35 N ATOM 603 CA HIS A 40 4.531 -2.488 -2.510 1.00 0.39 C ATOM 604 C HIS A 40 5.127 -1.262 -1.827 1.00 0.39 C ATOM 605 O HIS A 40 4.411 -0.293 -1.595 1.00 0.35 O ATOM 606 CB HIS A 40 4.547 -2.174 -4.009 1.00 0.46 C ATOM 607 CG HIS A 40 4.316 -3.290 -4.982 1.00 0.46 C ATOM 608 ND1 HIS A 40 3.304 -3.297 -5.948 1.00 0.45 N ATOM 609 CD2 HIS A 40 5.239 -4.255 -5.267 1.00 0.60 C ATOM 610 CE1 HIS A 40 3.650 -4.267 -6.811 1.00 0.60 C ATOM 611 NE2 HIS A 40 4.785 -4.878 -6.406 1.00 0.69 N ATOM 0 H HIS A 40 2.437 -2.604 -2.701 1.00 0.35 H new ATOM 0 HA HIS A 40 5.090 -3.402 -2.312 1.00 0.39 H new ATOM 0 HB2 HIS A 40 3.790 -1.412 -4.195 1.00 0.46 H new ATOM 0 HB3 HIS A 40 5.513 -1.727 -4.242 1.00 0.46 H new ATOM 0 HD2 HIS A 40 6.138 -4.482 -4.713 1.00 0.60 H new ATOM 0 HE1 HIS A 40 3.098 -4.523 -7.703 1.00 0.60 H new ATOM 0 HE2 HIS A 40 5.231 -5.670 -6.868 1.00 0.69 H new ATOM 619 N GLN A 41 6.447 -1.238 -1.629 1.00 0.45 N ATOM 620 CA GLN A 41 7.131 -0.039 -1.173 1.00 0.42 C ATOM 621 C GLN A 41 6.937 1.074 -2.186 1.00 0.40 C ATOM 622 O GLN A 41 6.454 2.151 -1.854 1.00 0.35 O ATOM 623 CB GLN A 41 8.634 -0.315 -0.964 1.00 0.47 C ATOM 624 CG GLN A 41 9.367 0.896 -0.371 1.00 0.60 C ATOM 625 CD GLN A 41 10.885 0.738 -0.400 1.00 1.39 C ATOM 626 OE1 GLN A 41 11.561 1.455 -1.124 1.00 1.85 O ATOM 627 NE2 GLN A 41 11.467 -0.160 0.382 1.00 2.72 N ATOM 0 H GLN A 41 7.059 -2.040 -1.779 1.00 0.45 H new ATOM 0 HA GLN A 41 6.706 0.266 -0.217 1.00 0.42 H new ATOM 0 HB2 GLN A 41 8.756 -1.172 -0.302 1.00 0.47 H new ATOM 0 HB3 GLN A 41 9.089 -0.582 -1.918 1.00 0.47 H new ATOM 0 HG2 GLN A 41 9.088 1.792 -0.926 1.00 0.60 H new ATOM 0 HG3 GLN A 41 9.041 1.045 0.658 1.00 0.60 H new ATOM 0 HE21 GLN A 41 10.899 -0.756 0.984 1.00 2.72 H new ATOM 0 HE22 GLN A 41 12.483 -0.255 0.381 1.00 2.72 H new ATOM 636 N VAL A 42 7.296 0.803 -3.436 1.00 0.45 N ATOM 637 CA VAL A 42 7.244 1.830 -4.472 1.00 0.46 C ATOM 638 C VAL A 42 5.835 2.394 -4.618 1.00 0.41 C ATOM 639 O VAL A 42 5.653 3.549 -5.002 1.00 0.43 O ATOM 640 CB VAL A 42 7.805 1.264 -5.785 1.00 0.55 C ATOM 641 CG1 VAL A 42 6.751 0.671 -6.728 1.00 0.69 C ATOM 642 CG2 VAL A 42 8.616 2.334 -6.523 1.00 0.59 C ATOM 0 H VAL A 42 7.623 -0.109 -3.755 1.00 0.45 H new ATOM 0 HA VAL A 42 7.872 2.673 -4.183 1.00 0.46 H new ATOM 0 HB VAL A 42 8.445 0.432 -5.489 1.00 0.55 H new ATOM 0 HG11 VAL A 42 7.238 0.296 -7.628 1.00 0.69 H new ATOM 0 HG12 VAL A 42 6.234 -0.148 -6.227 1.00 0.69 H new ATOM 0 HG13 VAL A 42 6.031 1.443 -7.000 1.00 0.69 H new ATOM 0 HG21 VAL A 42 9.007 1.918 -7.452 1.00 0.59 H new ATOM 0 HG22 VAL A 42 7.974 3.186 -6.749 1.00 0.59 H new ATOM 0 HG23 VAL A 42 9.444 2.661 -5.894 1.00 0.59 H new ATOM 652 N CYS A 43 4.835 1.576 -4.290 1.00 0.37 N ATOM 653 CA CYS A 43 3.469 2.052 -4.365 1.00 0.34 C ATOM 654 C CYS A 43 3.156 2.914 -3.159 1.00 0.31 C ATOM 655 O CYS A 43 2.470 3.912 -3.313 1.00 0.31 O ATOM 656 CB CYS A 43 2.503 0.888 -4.323 1.00 0.32 C ATOM 657 SG CYS A 43 2.500 0.070 -5.951 1.00 0.34 S ATOM 0 H CYS A 43 4.946 0.611 -3.980 1.00 0.37 H new ATOM 0 HA CYS A 43 3.365 2.613 -5.294 1.00 0.34 H new ATOM 0 HB2 CYS A 43 2.796 0.182 -3.546 1.00 0.32 H new ATOM 0 HB3 CYS A 43 1.501 1.238 -4.074 1.00 0.32 H new ATOM 662 N VAL A 44 3.587 2.529 -1.955 1.00 0.32 N ATOM 663 CA VAL A 44 3.278 3.280 -0.753 1.00 0.30 C ATOM 664 C VAL A 44 3.754 4.717 -0.925 1.00 0.31 C ATOM 665 O VAL A 44 3.153 5.630 -0.368 1.00 0.30 O ATOM 666 CB VAL A 44 3.892 2.563 0.464 1.00 0.34 C ATOM 667 CG1 VAL A 44 5.179 3.197 0.995 1.00 0.39 C ATOM 668 CG2 VAL A 44 2.863 2.474 1.587 1.00 0.33 C ATOM 0 H VAL A 44 4.153 1.696 -1.795 1.00 0.32 H new ATOM 0 HA VAL A 44 2.203 3.327 -0.577 1.00 0.30 H new ATOM 0 HB VAL A 44 4.172 1.571 0.110 1.00 0.34 H new ATOM 0 HG11 VAL A 44 5.539 2.626 1.851 1.00 0.39 H new ATOM 0 HG12 VAL A 44 5.937 3.193 0.211 1.00 0.39 H new ATOM 0 HG13 VAL A 44 4.979 4.224 1.302 1.00 0.39 H new ATOM 0 HG21 VAL A 44 3.304 1.966 2.445 1.00 0.33 H new ATOM 0 HG22 VAL A 44 2.555 3.478 1.879 1.00 0.33 H new ATOM 0 HG23 VAL A 44 1.994 1.914 1.241 1.00 0.33 H new ATOM 678 N ASP A 45 4.819 4.894 -1.707 1.00 0.35 N ATOM 679 CA ASP A 45 5.400 6.201 -2.002 1.00 0.39 C ATOM 680 C ASP A 45 4.470 7.025 -2.889 1.00 0.39 C ATOM 681 O ASP A 45 3.854 7.978 -2.417 1.00 0.39 O ATOM 682 CB ASP A 45 6.774 6.043 -2.664 1.00 0.44 C ATOM 683 CG ASP A 45 7.277 7.395 -3.167 1.00 0.57 C ATOM 684 OD1 ASP A 45 7.653 8.216 -2.303 1.00 1.83 O ATOM 685 OD2 ASP A 45 7.235 7.599 -4.401 1.00 1.75 O ATOM 0 H ASP A 45 5.308 4.122 -2.159 1.00 0.35 H new ATOM 0 HA ASP A 45 5.529 6.734 -1.060 1.00 0.39 H new ATOM 0 HB2 ASP A 45 7.484 5.626 -1.950 1.00 0.44 H new ATOM 0 HB3 ASP A 45 6.707 5.340 -3.494 1.00 0.44 H new ATOM 690 N GLN A 46 4.346 6.678 -4.173 1.00 0.40 N ATOM 691 CA GLN A 46 3.567 7.500 -5.095 1.00 0.45 C ATOM 692 C GLN A 46 2.112 7.603 -4.635 1.00 0.40 C ATOM 693 O GLN A 46 1.434 8.601 -4.879 1.00 0.49 O ATOM 694 CB GLN A 46 3.674 6.963 -6.527 1.00 0.53 C ATOM 695 CG GLN A 46 5.135 6.972 -6.993 1.00 1.34 C ATOM 696 CD GLN A 46 5.247 6.859 -8.509 1.00 1.61 C ATOM 697 OE1 GLN A 46 4.504 6.129 -9.154 1.00 1.55 O ATOM 698 NE2 GLN A 46 6.171 7.596 -9.115 1.00 2.85 N ATOM 0 H GLN A 46 4.768 5.848 -4.590 1.00 0.40 H new ATOM 0 HA GLN A 46 3.982 8.508 -5.093 1.00 0.45 H new ATOM 0 HB2 GLN A 46 3.277 5.949 -6.573 1.00 0.53 H new ATOM 0 HB3 GLN A 46 3.068 7.573 -7.197 1.00 0.53 H new ATOM 0 HG2 GLN A 46 5.617 7.892 -6.661 1.00 1.34 H new ATOM 0 HG3 GLN A 46 5.670 6.145 -6.526 1.00 1.34 H new ATOM 0 HE21 GLN A 46 6.783 8.199 -8.566 1.00 2.85 H new ATOM 0 HE22 GLN A 46 6.269 7.559 -10.130 1.00 2.85 H new ATOM 707 N TRP A 47 1.636 6.586 -3.921 1.00 0.31 N ATOM 708 CA TRP A 47 0.367 6.639 -3.239 1.00 0.30 C ATOM 709 C TRP A 47 0.341 7.777 -2.234 1.00 0.32 C ATOM 710 O TRP A 47 -0.522 8.634 -2.339 1.00 0.36 O ATOM 711 CB TRP A 47 0.064 5.309 -2.559 1.00 0.27 C ATOM 712 CG TRP A 47 -1.298 5.255 -1.964 1.00 0.27 C ATOM 713 CD1 TRP A 47 -1.598 5.001 -0.672 1.00 0.30 C ATOM 714 CD2 TRP A 47 -2.561 5.511 -2.639 1.00 0.28 C ATOM 715 NE1 TRP A 47 -2.968 5.043 -0.514 1.00 0.33 N ATOM 716 CE2 TRP A 47 -3.605 5.289 -1.705 1.00 0.31 C ATOM 717 CE3 TRP A 47 -2.937 5.899 -3.941 1.00 0.31 C ATOM 718 CZ2 TRP A 47 -4.952 5.361 -2.059 1.00 0.35 C ATOM 719 CZ3 TRP A 47 -4.289 6.082 -4.279 1.00 0.37 C ATOM 720 CH2 TRP A 47 -5.304 5.780 -3.353 1.00 0.39 C ATOM 0 H TRP A 47 2.131 5.702 -3.805 1.00 0.31 H new ATOM 0 HA TRP A 47 -0.409 6.826 -3.981 1.00 0.30 H new ATOM 0 HB2 TRP A 47 0.168 4.504 -3.286 1.00 0.27 H new ATOM 0 HB3 TRP A 47 0.803 5.131 -1.778 1.00 0.27 H new ATOM 0 HD1 TRP A 47 -0.882 4.798 0.110 1.00 0.30 H new ATOM 0 HE1 TRP A 47 -3.447 4.908 0.376 1.00 0.33 H new ATOM 0 HE3 TRP A 47 -2.175 6.058 -4.690 1.00 0.31 H new ATOM 0 HZ2 TRP A 47 -5.718 5.097 -1.345 1.00 0.35 H new ATOM 0 HZ3 TRP A 47 -4.551 6.457 -5.257 1.00 0.37 H new ATOM 0 HH2 TRP A 47 -6.343 5.869 -3.634 1.00 0.39 H new ATOM 731 N LEU A 48 1.271 7.808 -1.281 1.00 0.32 N ATOM 732 CA LEU A 48 1.372 8.859 -0.281 1.00 0.35 C ATOM 733 C LEU A 48 1.397 10.250 -0.914 1.00 0.40 C ATOM 734 O LEU A 48 0.852 11.201 -0.348 1.00 0.46 O ATOM 735 CB LEU A 48 2.617 8.611 0.583 1.00 0.34 C ATOM 736 CG LEU A 48 2.270 7.944 1.918 1.00 0.39 C ATOM 737 CD1 LEU A 48 3.556 7.511 2.620 1.00 0.45 C ATOM 738 CD2 LEU A 48 1.503 8.894 2.847 1.00 0.47 C ATOM 0 H LEU A 48 1.987 7.088 -1.184 1.00 0.32 H new ATOM 0 HA LEU A 48 0.484 8.829 0.351 1.00 0.35 H new ATOM 0 HB2 LEU A 48 3.318 7.981 0.035 1.00 0.34 H new ATOM 0 HB3 LEU A 48 3.121 9.559 0.772 1.00 0.34 H new ATOM 0 HG LEU A 48 1.636 7.084 1.702 1.00 0.39 H new ATOM 0 HD11 LEU A 48 3.310 7.036 3.570 1.00 0.45 H new ATOM 0 HD12 LEU A 48 4.094 6.803 1.989 1.00 0.45 H new ATOM 0 HD13 LEU A 48 4.183 8.384 2.802 1.00 0.45 H new ATOM 0 HD21 LEU A 48 1.276 8.383 3.783 1.00 0.47 H new ATOM 0 HD22 LEU A 48 2.113 9.773 3.053 1.00 0.47 H new ATOM 0 HD23 LEU A 48 0.574 9.201 2.367 1.00 0.47 H new ATOM 750 N ILE A 49 2.024 10.409 -2.080 1.00 0.42 N ATOM 751 CA ILE A 49 1.958 11.657 -2.810 1.00 0.46 C ATOM 752 C ILE A 49 0.506 11.988 -3.162 1.00 0.46 C ATOM 753 O ILE A 49 0.079 13.118 -2.926 1.00 0.67 O ATOM 754 CB ILE A 49 2.872 11.576 -4.037 1.00 0.52 C ATOM 755 CG1 ILE A 49 4.316 11.235 -3.656 1.00 0.63 C ATOM 756 CG2 ILE A 49 2.795 12.862 -4.861 1.00 0.61 C ATOM 757 CD1 ILE A 49 4.949 12.273 -2.742 1.00 0.84 C ATOM 0 H ILE A 49 2.581 9.684 -2.532 1.00 0.42 H new ATOM 0 HA ILE A 49 2.319 12.479 -2.191 1.00 0.46 H new ATOM 0 HB ILE A 49 2.511 10.757 -4.660 1.00 0.52 H new ATOM 0 HG12 ILE A 49 4.336 10.263 -3.162 1.00 0.63 H new ATOM 0 HG13 ILE A 49 4.914 11.144 -4.563 1.00 0.63 H new ATOM 0 HG21 ILE A 49 3.453 12.780 -5.726 1.00 0.61 H new ATOM 0 HG22 ILE A 49 1.770 13.018 -5.198 1.00 0.61 H new ATOM 0 HG23 ILE A 49 3.107 13.707 -4.247 1.00 0.61 H new ATOM 0 HD11 ILE A 49 5.971 11.976 -2.507 1.00 0.84 H new ATOM 0 HD12 ILE A 49 4.958 13.241 -3.243 1.00 0.84 H new ATOM 0 HD13 ILE A 49 4.372 12.347 -1.820 1.00 0.84 H new ATOM 769 N THR A 50 -0.244 11.034 -3.713 1.00 0.44 N ATOM 770 CA THR A 50 -1.592 11.211 -4.205 1.00 0.58 C ATOM 771 C THR A 50 -2.583 11.240 -3.027 1.00 0.44 C ATOM 772 O THR A 50 -3.122 12.295 -2.697 1.00 0.53 O ATOM 773 CB THR A 50 -1.791 10.111 -5.270 1.00 0.84 C ATOM 774 OG1 THR A 50 -1.443 10.645 -6.527 1.00 1.97 O ATOM 775 CG2 THR A 50 -3.175 9.506 -5.343 1.00 2.10 C ATOM 0 H THR A 50 0.095 10.079 -3.829 1.00 0.44 H new ATOM 0 HA THR A 50 -1.779 12.168 -4.692 1.00 0.58 H new ATOM 0 HB THR A 50 -1.146 9.285 -4.971 1.00 0.84 H new ATOM 0 HG1 THR A 50 -1.561 9.960 -7.218 1.00 1.97 H new ATOM 0 HG21 THR A 50 -3.199 8.746 -6.124 1.00 2.10 H new ATOM 0 HG22 THR A 50 -3.424 9.049 -4.385 1.00 2.10 H new ATOM 0 HG23 THR A 50 -3.901 10.286 -5.573 1.00 2.10 H new ATOM 783 N ASN A 51 -2.820 10.113 -2.355 1.00 0.38 N ATOM 784 CA ASN A 51 -3.734 10.001 -1.231 1.00 0.36 C ATOM 785 C ASN A 51 -2.933 9.874 0.063 1.00 0.43 C ATOM 786 O ASN A 51 -2.297 8.853 0.303 1.00 0.96 O ATOM 787 CB ASN A 51 -4.604 8.748 -1.408 1.00 0.66 C ATOM 788 CG ASN A 51 -5.836 9.014 -2.259 1.00 1.89 C ATOM 789 OD1 ASN A 51 -5.752 9.212 -3.463 1.00 3.19 O ATOM 790 ND2 ASN A 51 -7.015 9.035 -1.650 1.00 2.55 N ATOM 0 H ASN A 51 -2.365 9.230 -2.589 1.00 0.38 H new ATOM 0 HA ASN A 51 -4.367 10.887 -1.186 1.00 0.36 H new ATOM 0 HB2 ASN A 51 -4.010 7.959 -1.869 1.00 0.66 H new ATOM 0 HB3 ASN A 51 -4.914 8.383 -0.429 1.00 0.66 H new ATOM 0 HD21 ASN A 51 -7.863 9.218 -2.187 1.00 2.55 H new ATOM 0 HD22 ASN A 51 -7.073 8.868 -0.645 1.00 2.55 H new ATOM 797 N LYS A 52 -3.059 10.841 0.976 1.00 0.52 N ATOM 798 CA LYS A 52 -2.508 10.728 2.331 1.00 0.59 C ATOM 799 C LYS A 52 -3.367 9.809 3.222 1.00 0.50 C ATOM 800 O LYS A 52 -3.369 9.944 4.444 1.00 0.49 O ATOM 801 CB LYS A 52 -2.369 12.135 2.957 1.00 0.84 C ATOM 802 CG LYS A 52 -1.013 12.782 2.651 1.00 1.77 C ATOM 803 CD LYS A 52 -0.900 13.312 1.223 1.00 2.69 C ATOM 804 CE LYS A 52 0.547 13.741 0.991 1.00 3.81 C ATOM 805 NZ LYS A 52 0.742 14.224 -0.388 1.00 5.23 N ATOM 0 H LYS A 52 -3.543 11.721 0.799 1.00 0.52 H new ATOM 0 HA LYS A 52 -1.521 10.270 2.262 1.00 0.59 H new ATOM 0 HB2 LYS A 52 -3.167 12.776 2.582 1.00 0.84 H new ATOM 0 HB3 LYS A 52 -2.498 12.063 4.037 1.00 0.84 H new ATOM 0 HG2 LYS A 52 -0.845 13.602 3.349 1.00 1.77 H new ATOM 0 HG3 LYS A 52 -0.223 12.051 2.822 1.00 1.77 H new ATOM 0 HD2 LYS A 52 -1.189 12.542 0.507 1.00 2.69 H new ATOM 0 HD3 LYS A 52 -1.576 14.155 1.075 1.00 2.69 H new ATOM 0 HE2 LYS A 52 0.814 14.528 1.697 1.00 3.81 H new ATOM 0 HE3 LYS A 52 1.214 12.901 1.183 1.00 3.81 H new ATOM 0 HZ1 LYS A 52 1.758 14.348 -0.572 1.00 5.23 H new ATOM 0 HZ2 LYS A 52 0.351 13.530 -1.057 1.00 5.23 H new ATOM 0 HZ3 LYS A 52 0.254 15.135 -0.509 1.00 5.23 H new ATOM 819 N LYS A 53 -4.131 8.876 2.649 1.00 0.50 N ATOM 820 CA LYS A 53 -5.110 8.086 3.378 1.00 0.44 C ATOM 821 C LYS A 53 -4.928 6.646 2.966 1.00 0.44 C ATOM 822 O LYS A 53 -4.390 6.344 1.898 1.00 0.54 O ATOM 823 CB LYS A 53 -6.540 8.560 3.078 1.00 0.56 C ATOM 824 CG LYS A 53 -6.750 10.001 3.567 1.00 0.59 C ATOM 825 CD LYS A 53 -7.764 10.814 2.758 1.00 1.21 C ATOM 826 CE LYS A 53 -9.162 10.800 3.380 1.00 1.43 C ATOM 827 NZ LYS A 53 -9.177 11.490 4.688 1.00 2.31 N ATOM 0 H LYS A 53 -4.082 8.650 1.656 1.00 0.50 H new ATOM 0 HA LYS A 53 -4.958 8.199 4.451 1.00 0.44 H new ATOM 0 HB2 LYS A 53 -6.729 8.504 2.006 1.00 0.56 H new ATOM 0 HB3 LYS A 53 -7.257 7.898 3.564 1.00 0.56 H new ATOM 0 HG2 LYS A 53 -7.075 9.973 4.607 1.00 0.59 H new ATOM 0 HG3 LYS A 53 -5.791 10.520 3.547 1.00 0.59 H new ATOM 0 HD2 LYS A 53 -7.417 11.844 2.678 1.00 1.21 H new ATOM 0 HD3 LYS A 53 -7.817 10.416 1.745 1.00 1.21 H new ATOM 0 HE2 LYS A 53 -9.868 11.283 2.704 1.00 1.43 H new ATOM 0 HE3 LYS A 53 -9.496 9.770 3.506 1.00 1.43 H new ATOM 0 HZ1 LYS A 53 -10.091 11.969 4.817 1.00 2.31 H new ATOM 0 HZ2 LYS A 53 -9.040 10.795 5.449 1.00 2.31 H new ATOM 0 HZ3 LYS A 53 -8.411 12.193 4.719 1.00 2.31 H new ATOM 841 N CYS A 54 -5.384 5.755 3.831 1.00 0.36 N ATOM 842 CA CYS A 54 -5.192 4.342 3.589 1.00 0.31 C ATOM 843 C CYS A 54 -6.080 3.969 2.396 1.00 0.36 C ATOM 844 O CYS A 54 -7.231 4.391 2.344 1.00 0.45 O ATOM 845 CB CYS A 54 -5.614 3.625 4.865 1.00 0.37 C ATOM 846 SG CYS A 54 -5.432 1.826 4.694 1.00 0.57 S ATOM 0 H CYS A 54 -5.881 5.983 4.692 1.00 0.36 H new ATOM 0 HA CYS A 54 -4.164 4.069 3.353 1.00 0.31 H new ATOM 0 HB2 CYS A 54 -5.009 3.977 5.701 1.00 0.37 H new ATOM 0 HB3 CYS A 54 -6.651 3.868 5.097 1.00 0.37 H new ATOM 851 N PRO A 55 -5.601 3.179 1.429 1.00 0.38 N ATOM 852 CA PRO A 55 -6.383 2.809 0.263 1.00 0.51 C ATOM 853 C PRO A 55 -7.509 1.843 0.636 1.00 0.55 C ATOM 854 O PRO A 55 -8.540 1.806 -0.034 1.00 0.72 O ATOM 855 CB PRO A 55 -5.367 2.163 -0.680 1.00 0.60 C ATOM 856 CG PRO A 55 -4.407 1.491 0.288 1.00 0.62 C ATOM 857 CD PRO A 55 -4.312 2.517 1.408 1.00 0.39 C ATOM 0 HA PRO A 55 -6.882 3.662 -0.197 1.00 0.51 H new ATOM 0 HB2 PRO A 55 -5.836 1.444 -1.352 1.00 0.60 H new ATOM 0 HB3 PRO A 55 -4.864 2.902 -1.304 1.00 0.60 H new ATOM 0 HG2 PRO A 55 -4.790 0.534 0.643 1.00 0.62 H new ATOM 0 HG3 PRO A 55 -3.437 1.296 -0.169 1.00 0.62 H new ATOM 0 HD2 PRO A 55 -4.100 2.038 2.364 1.00 0.39 H new ATOM 0 HD3 PRO A 55 -3.507 3.228 1.223 1.00 0.39 H new ATOM 865 N ILE A 56 -7.309 1.043 1.689 1.00 0.47 N ATOM 866 CA ILE A 56 -8.300 0.092 2.163 1.00 0.52 C ATOM 867 C ILE A 56 -9.173 0.811 3.183 1.00 0.60 C ATOM 868 O ILE A 56 -10.328 1.118 2.904 1.00 0.77 O ATOM 869 CB ILE A 56 -7.613 -1.166 2.710 1.00 0.48 C ATOM 870 CG1 ILE A 56 -7.021 -1.913 1.500 1.00 0.55 C ATOM 871 CG2 ILE A 56 -8.607 -2.076 3.448 1.00 0.49 C ATOM 872 CD1 ILE A 56 -5.971 -2.928 1.926 1.00 1.10 C ATOM 0 H ILE A 56 -6.447 1.043 2.234 1.00 0.47 H new ATOM 0 HA ILE A 56 -8.942 -0.262 1.356 1.00 0.52 H new ATOM 0 HB ILE A 56 -6.842 -0.887 3.428 1.00 0.48 H new ATOM 0 HG12 ILE A 56 -7.820 -2.420 0.959 1.00 0.55 H new ATOM 0 HG13 ILE A 56 -6.575 -1.195 0.811 1.00 0.55 H new ATOM 0 HG21 ILE A 56 -8.085 -2.957 3.822 1.00 0.49 H new ATOM 0 HG22 ILE A 56 -9.046 -1.532 4.284 1.00 0.49 H new ATOM 0 HG23 ILE A 56 -9.396 -2.385 2.762 1.00 0.49 H new ATOM 0 HD11 ILE A 56 -5.576 -3.435 1.045 1.00 1.10 H new ATOM 0 HD12 ILE A 56 -5.160 -2.417 2.444 1.00 1.10 H new ATOM 0 HD13 ILE A 56 -6.423 -3.661 2.594 1.00 1.10 H new ATOM 884 N CYS A 57 -8.618 1.092 4.365 1.00 0.54 N ATOM 885 CA CYS A 57 -9.391 1.600 5.485 1.00 0.61 C ATOM 886 C CYS A 57 -9.818 3.065 5.274 1.00 0.55 C ATOM 887 O CYS A 57 -10.709 3.536 5.973 1.00 0.59 O ATOM 888 CB CYS A 57 -8.621 1.343 6.798 1.00 0.68 C ATOM 889 SG CYS A 57 -6.899 1.942 6.835 1.00 0.63 S ATOM 0 H CYS A 57 -7.625 0.972 4.565 1.00 0.54 H new ATOM 0 HA CYS A 57 -10.333 1.057 5.557 1.00 0.61 H new ATOM 0 HB2 CYS A 57 -9.167 1.813 7.616 1.00 0.68 H new ATOM 0 HB3 CYS A 57 -8.617 0.270 6.992 1.00 0.68 H new ATOM 894 N ARG A 58 -9.264 3.778 4.281 1.00 0.52 N ATOM 895 CA ARG A 58 -9.774 5.074 3.806 1.00 0.56 C ATOM 896 C ARG A 58 -9.647 6.198 4.822 1.00 0.57 C ATOM 897 O ARG A 58 -10.252 7.254 4.642 1.00 0.79 O ATOM 898 CB ARG A 58 -11.208 4.898 3.259 1.00 0.68 C ATOM 899 CG ARG A 58 -11.272 5.089 1.743 1.00 1.02 C ATOM 900 CD ARG A 58 -10.172 4.274 1.047 1.00 3.26 C ATOM 901 NE ARG A 58 -10.561 3.775 -0.279 1.00 4.36 N ATOM 902 CZ ARG A 58 -10.990 4.490 -1.326 1.00 4.54 C ATOM 903 NH1 ARG A 58 -11.035 5.820 -1.263 1.00 4.18 N ATOM 904 NH2 ARG A 58 -11.375 3.870 -2.441 1.00 5.61 N ATOM 0 H ARG A 58 -8.435 3.465 3.777 1.00 0.52 H new ATOM 0 HA ARG A 58 -9.134 5.402 2.987 1.00 0.56 H new ATOM 0 HB2 ARG A 58 -11.574 3.903 3.515 1.00 0.68 H new ATOM 0 HB3 ARG A 58 -11.871 5.615 3.743 1.00 0.68 H new ATOM 0 HG2 ARG A 58 -12.250 4.780 1.373 1.00 1.02 H new ATOM 0 HG3 ARG A 58 -11.158 6.145 1.499 1.00 1.02 H new ATOM 0 HD2 ARG A 58 -9.281 4.894 0.946 1.00 3.26 H new ATOM 0 HD3 ARG A 58 -9.902 3.428 1.680 1.00 3.26 H new ATOM 0 HE ARG A 58 -10.497 2.767 -0.418 1.00 4.36 H new ATOM 0 HH11 ARG A 58 -10.741 6.301 -0.413 1.00 4.18 H new ATOM 0 HH12 ARG A 58 -11.363 6.358 -2.065 1.00 4.18 H new ATOM 0 HH21 ARG A 58 -11.343 2.852 -2.496 1.00 5.61 H new ATOM 0 HH22 ARG A 58 -11.702 4.413 -3.240 1.00 5.61 H new ATOM 918 N VAL A 59 -8.768 6.039 5.807 1.00 0.42 N ATOM 919 CA VAL A 59 -8.532 7.075 6.796 1.00 0.44 C ATOM 920 C VAL A 59 -7.127 7.597 6.674 1.00 0.41 C ATOM 921 O VAL A 59 -6.216 6.881 6.278 1.00 0.37 O ATOM 922 CB VAL A 59 -8.777 6.577 8.216 1.00 0.47 C ATOM 923 CG1 VAL A 59 -10.019 5.702 8.244 1.00 0.52 C ATOM 924 CG2 VAL A 59 -7.606 5.803 8.822 1.00 0.45 C ATOM 0 H VAL A 59 -8.207 5.197 5.938 1.00 0.42 H new ATOM 0 HA VAL A 59 -9.241 7.879 6.600 1.00 0.44 H new ATOM 0 HB VAL A 59 -8.906 7.470 8.827 1.00 0.47 H new ATOM 0 HG11 VAL A 59 -10.192 5.348 9.260 1.00 0.52 H new ATOM 0 HG12 VAL A 59 -10.880 6.282 7.911 1.00 0.52 H new ATOM 0 HG13 VAL A 59 -9.878 4.848 7.581 1.00 0.52 H new ATOM 0 HG21 VAL A 59 -7.864 5.485 9.832 1.00 0.45 H new ATOM 0 HG22 VAL A 59 -7.393 4.927 8.209 1.00 0.45 H new ATOM 0 HG23 VAL A 59 -6.725 6.444 8.857 1.00 0.45 H new ATOM 934 N ASP A 60 -6.928 8.842 7.053 1.00 0.45 N ATOM 935 CA ASP A 60 -5.625 9.437 7.064 1.00 0.42 C ATOM 936 C ASP A 60 -4.847 8.682 8.121 1.00 0.40 C ATOM 937 O ASP A 60 -5.312 8.549 9.248 1.00 0.49 O ATOM 938 CB ASP A 60 -5.729 10.929 7.421 1.00 0.49 C ATOM 939 CG ASP A 60 -6.888 11.625 6.700 1.00 0.58 C ATOM 940 OD1 ASP A 60 -8.049 11.376 7.104 1.00 1.68 O ATOM 941 OD2 ASP A 60 -6.687 12.272 5.648 1.00 1.60 O ATOM 0 H ASP A 60 -7.674 9.465 7.362 1.00 0.45 H new ATOM 0 HA ASP A 60 -5.136 9.378 6.091 1.00 0.42 H new ATOM 0 HB2 ASP A 60 -5.860 11.033 8.498 1.00 0.49 H new ATOM 0 HB3 ASP A 60 -4.794 11.427 7.164 1.00 0.49 H new ATOM 946 N ILE A 61 -3.697 8.130 7.751 1.00 0.36 N ATOM 947 CA ILE A 61 -2.894 7.351 8.666 1.00 0.44 C ATOM 948 C ILE A 61 -2.460 8.193 9.875 1.00 0.56 C ATOM 949 O ILE A 61 -2.195 7.666 10.953 1.00 0.72 O ATOM 950 CB ILE A 61 -1.716 6.763 7.893 1.00 0.48 C ATOM 951 CG1 ILE A 61 -2.236 6.003 6.659 1.00 0.58 C ATOM 952 CG2 ILE A 61 -0.954 5.816 8.808 1.00 0.62 C ATOM 953 CD1 ILE A 61 -1.902 6.765 5.381 1.00 0.61 C ATOM 0 H ILE A 61 -3.303 8.213 6.814 1.00 0.36 H new ATOM 0 HA ILE A 61 -3.478 6.528 9.079 1.00 0.44 H new ATOM 0 HB ILE A 61 -1.052 7.560 7.559 1.00 0.48 H new ATOM 0 HG12 ILE A 61 -1.791 5.009 6.623 1.00 0.58 H new ATOM 0 HG13 ILE A 61 -3.315 5.867 6.737 1.00 0.58 H new ATOM 0 HG21 ILE A 61 -0.109 5.389 8.267 1.00 0.62 H new ATOM 0 HG22 ILE A 61 -0.589 6.364 9.677 1.00 0.62 H new ATOM 0 HG23 ILE A 61 -1.617 5.015 9.136 1.00 0.62 H new ATOM 0 HD11 ILE A 61 -2.277 6.213 4.519 1.00 0.61 H new ATOM 0 HD12 ILE A 61 -2.368 7.750 5.412 1.00 0.61 H new ATOM 0 HD13 ILE A 61 -0.821 6.878 5.297 1.00 0.61 H new ATOM 965 N GLU A 62 -2.340 9.501 9.660 1.00 0.63 N ATOM 966 CA GLU A 62 -2.016 10.490 10.659 1.00 0.82 C ATOM 967 C GLU A 62 -3.137 10.672 11.693 1.00 2.25 C ATOM 968 O GLU A 62 -4.172 10.014 11.650 1.00 3.87 O ATOM 969 CB GLU A 62 -1.629 11.801 9.955 1.00 3.22 C ATOM 970 CG GLU A 62 -0.129 11.769 9.639 1.00 4.57 C ATOM 971 CD GLU A 62 0.285 12.900 8.697 1.00 6.51 C ATOM 972 OE1 GLU A 62 -0.074 14.059 8.997 1.00 7.16 O ATOM 973 OE2 GLU A 62 0.957 12.586 7.689 1.00 7.81 O ATOM 0 H GLU A 62 -2.475 9.910 8.735 1.00 0.63 H new ATOM 0 HA GLU A 62 -1.161 10.143 11.239 1.00 0.82 H new ATOM 0 HB2 GLU A 62 -2.205 11.921 9.038 1.00 3.22 H new ATOM 0 HB3 GLU A 62 -1.862 12.654 10.592 1.00 3.22 H new ATOM 0 HG2 GLU A 62 0.438 11.845 10.567 1.00 4.57 H new ATOM 0 HG3 GLU A 62 0.125 10.810 9.187 1.00 4.57 H new ATOM 980 N ALA A 63 -2.926 11.571 12.654 1.00 3.03 N ATOM 981 CA ALA A 63 -3.888 11.846 13.711 1.00 5.26 C ATOM 982 C ALA A 63 -4.692 13.099 13.359 1.00 6.59 C ATOM 983 O ALA A 63 -4.341 13.836 12.440 1.00 6.21 O ATOM 984 CB ALA A 63 -3.150 12.015 15.042 1.00 6.07 C ATOM 0 H ALA A 63 -2.076 12.131 12.718 1.00 3.03 H new ATOM 0 HA ALA A 63 -4.583 11.012 13.809 1.00 5.26 H new ATOM 0 HB1 ALA A 63 -3.870 12.221 15.834 1.00 6.07 H new ATOM 0 HB2 ALA A 63 -2.606 11.100 15.275 1.00 6.07 H new ATOM 0 HB3 ALA A 63 -2.447 12.845 14.966 1.00 6.07 H new ATOM 990 N GLN A 64 -5.774 13.355 14.097 1.00 8.62 N ATOM 991 CA GLN A 64 -6.615 14.512 13.838 1.00 10.35 C ATOM 992 C GLN A 64 -5.841 15.794 14.157 1.00 10.68 C ATOM 993 O GLN A 64 -5.411 15.994 15.292 1.00 11.10 O ATOM 994 CB GLN A 64 -7.894 14.414 14.679 1.00 12.38 C ATOM 995 CG GLN A 64 -8.914 15.473 14.244 1.00 13.59 C ATOM 996 CD GLN A 64 -10.189 15.419 15.082 1.00 15.49 C ATOM 997 OE1 GLN A 64 -10.151 15.214 16.287 1.00 16.22 O ATOM 998 NE2 GLN A 64 -11.348 15.605 14.463 1.00 16.58 N ATOM 0 H GLN A 64 -6.083 12.774 14.876 1.00 8.62 H new ATOM 0 HA GLN A 64 -6.897 14.537 12.785 1.00 10.35 H new ATOM 0 HB2 GLN A 64 -8.328 13.420 14.574 1.00 12.38 H new ATOM 0 HB3 GLN A 64 -7.652 14.547 15.734 1.00 12.38 H new ATOM 0 HG2 GLN A 64 -8.467 16.463 14.329 1.00 13.59 H new ATOM 0 HG3 GLN A 64 -9.164 15.325 13.194 1.00 13.59 H new ATOM 0 HE21 GLN A 64 -11.368 15.775 13.457 1.00 16.58 H new ATOM 0 HE22 GLN A 64 -12.219 15.578 14.993 1.00 16.58 H new ATOM 1007 N LEU A 65 -5.683 16.673 13.168 1.00 10.85 N ATOM 1008 CA LEU A 65 -5.120 17.998 13.387 1.00 11.58 C ATOM 1009 C LEU A 65 -6.118 18.880 14.144 1.00 13.84 C ATOM 1010 O LEU A 65 -7.326 18.730 13.960 1.00 14.86 O ATOM 1011 CB LEU A 65 -4.707 18.642 12.052 1.00 11.13 C ATOM 1012 CG LEU A 65 -5.848 19.168 11.156 1.00 12.03 C ATOM 1013 CD1 LEU A 65 -5.224 19.880 9.954 1.00 11.82 C ATOM 1014 CD2 LEU A 65 -6.770 18.060 10.637 1.00 12.50 C ATOM 0 H LEU A 65 -5.941 16.485 12.199 1.00 10.85 H new ATOM 0 HA LEU A 65 -4.223 17.900 13.998 1.00 11.58 H new ATOM 0 HB2 LEU A 65 -4.034 19.471 12.268 1.00 11.13 H new ATOM 0 HB3 LEU A 65 -4.137 17.908 11.482 1.00 11.13 H new ATOM 0 HG LEU A 65 -6.457 19.837 11.764 1.00 12.03 H new ATOM 0 HD11 LEU A 65 -6.014 20.260 9.306 1.00 11.82 H new ATOM 0 HD12 LEU A 65 -4.609 20.710 10.302 1.00 11.82 H new ATOM 0 HD13 LEU A 65 -4.604 19.178 9.397 1.00 11.82 H new ATOM 0 HD21 LEU A 65 -7.550 18.498 10.014 1.00 12.50 H new ATOM 0 HD22 LEU A 65 -6.190 17.351 10.047 1.00 12.50 H new ATOM 0 HD23 LEU A 65 -7.227 17.542 11.480 1.00 12.50 H new ATOM 1026 N PRO A 66 -5.644 19.828 14.965 1.00 14.91 N ATOM 1027 CA PRO A 66 -6.484 20.795 15.658 1.00 17.18 C ATOM 1028 C PRO A 66 -6.891 21.916 14.703 1.00 18.09 C ATOM 1029 O PRO A 66 -6.508 23.067 14.892 1.00 18.39 O ATOM 1030 CB PRO A 66 -5.609 21.293 16.814 1.00 17.96 C ATOM 1031 CG PRO A 66 -4.210 21.271 16.199 1.00 16.45 C ATOM 1032 CD PRO A 66 -4.248 20.016 15.325 1.00 14.34 C ATOM 0 HA PRO A 66 -7.420 20.376 16.026 1.00 17.18 H new ATOM 0 HB2 PRO A 66 -5.895 22.294 17.138 1.00 17.96 H new ATOM 0 HB3 PRO A 66 -5.680 20.643 17.686 1.00 17.96 H new ATOM 0 HG2 PRO A 66 -4.011 22.168 15.612 1.00 16.45 H new ATOM 0 HG3 PRO A 66 -3.433 21.211 16.961 1.00 16.45 H new ATOM 0 HD2 PRO A 66 -3.628 20.139 14.437 1.00 14.34 H new ATOM 0 HD3 PRO A 66 -3.863 19.151 15.865 1.00 14.34 H new ATOM 1040 N SER A 67 -7.721 21.582 13.713 1.00 18.82 N ATOM 1041 CA SER A 67 -8.189 22.514 12.702 1.00 19.88 C ATOM 1042 C SER A 67 -7.048 22.958 11.783 1.00 19.63 C ATOM 1043 O SER A 67 -5.923 22.463 11.880 1.00 18.61 O ATOM 1044 CB SER A 67 -8.881 23.692 13.394 1.00 21.32 C ATOM 1045 OG SER A 67 -9.799 24.312 12.516 1.00 22.75 O ATOM 0 H SER A 67 -8.089 20.638 13.595 1.00 18.82 H new ATOM 0 HA SER A 67 -8.915 22.021 12.056 1.00 19.88 H new ATOM 0 HB2 SER A 67 -9.401 23.343 14.286 1.00 21.32 H new ATOM 0 HB3 SER A 67 -8.136 24.417 13.722 1.00 21.32 H new ATOM 0 HG SER A 67 -10.234 25.062 12.974 1.00 22.75 H new ATOM 1051 N GLU A 68 -7.351 23.881 10.871 1.00 20.70 N ATOM 1052 CA GLU A 68 -6.339 24.483 10.017 1.00 20.81 C ATOM 1053 C GLU A 68 -5.426 25.368 10.867 1.00 21.55 C ATOM 1054 O GLU A 68 -5.840 25.886 11.905 1.00 22.38 O ATOM 1055 CB GLU A 68 -6.996 25.303 8.892 1.00 21.72 C ATOM 1056 CG GLU A 68 -6.922 24.579 7.543 1.00 21.46 C ATOM 1057 CD GLU A 68 -7.773 23.308 7.516 1.00 22.02 C ATOM 1058 OE1 GLU A 68 -7.295 22.286 8.055 1.00 21.55 O ATOM 1059 OE2 GLU A 68 -8.884 23.374 6.946 1.00 23.08 O ATOM 0 H GLU A 68 -8.296 24.227 10.707 1.00 20.70 H new ATOM 0 HA GLU A 68 -5.746 23.696 9.552 1.00 20.81 H new ATOM 0 HB2 GLU A 68 -8.039 25.496 9.144 1.00 21.72 H new ATOM 0 HB3 GLU A 68 -6.503 26.272 8.812 1.00 21.72 H new ATOM 0 HG2 GLU A 68 -7.255 25.253 6.753 1.00 21.46 H new ATOM 0 HG3 GLU A 68 -5.885 24.323 7.327 1.00 21.46 H new ATOM 1066 N SER A 69 -4.187 25.558 10.411 1.00 21.45 N ATOM 1067 CA SER A 69 -3.174 26.361 11.072 1.00 22.33 C ATOM 1068 C SER A 69 -2.265 26.874 9.962 1.00 22.49 C ATOM 1069 O SER A 69 -1.929 28.077 9.980 1.00 23.01 O ATOM 1070 CB SER A 69 -2.423 25.467 12.062 1.00 21.89 C ATOM 1071 OG SER A 69 -1.719 26.226 13.025 1.00 22.32 O ATOM 1072 OXT SER A 69 -1.978 26.039 9.074 1.00 22.23 O ATOM 0 H SER A 69 -3.856 25.140 9.541 1.00 21.45 H new ATOM 0 HA SER A 69 -3.582 27.200 11.635 1.00 22.33 H new ATOM 0 HB2 SER A 69 -3.130 24.808 12.565 1.00 21.89 H new ATOM 0 HB3 SER A 69 -1.724 24.830 11.519 1.00 21.89 H new ATOM 0 HG SER A 69 -1.253 25.622 13.641 1.00 22.32 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 70 1.670 -1.857 -6.137 1.00 0.36 ZN HETATM 1080 ZN ZN A 71 -5.020 0.869 6.534 1.00 0.40 ZN