USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=11 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.539 (180deg=0.0924) USER MOD Single : A 2 LYS NZ :NH3+ 139:sc= 1.23 (180deg=-0.995!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.183 USER MOD Single : A 13 THR OG1 : rot 36:sc= 0.671 USER MOD Single : A 16 LYS NZ :NH3+ -138:sc= 0.948 (180deg=-0.653) USER MOD Single : A 18 THR OG1 : rot -40:sc= 0.0857 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.323 X(o=0.32,f=-0.01) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.736 USER MOD Single : A 51 ASN : amide:sc= -2.04! C(o=-2!,f=-3.7!) USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= 0.902 (180deg=0.523) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0084 X(o=-0.0084,f=0) USER MOD Single : A 67 SER OG : rot -138:sc= 0.909 USER MOD Single : A 69 SER OG : rot -38:sc= 0.662 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.336 34.739 16.645 1.00 38.68 N ATOM 2 CA MET A 1 0.122 34.378 15.885 1.00 37.45 C ATOM 3 C MET A 1 0.522 33.598 14.642 1.00 36.01 C ATOM 4 O MET A 1 1.703 33.559 14.315 1.00 36.32 O ATOM 5 CB MET A 1 -0.702 35.615 15.500 1.00 37.01 C ATOM 6 CG MET A 1 -1.364 36.225 16.737 1.00 38.31 C ATOM 7 SD MET A 1 -0.380 37.489 17.576 1.00 39.71 S ATOM 8 CE MET A 1 -1.054 38.954 16.740 1.00 39.38 C ATOM 0 H1 MET A 1 1.219 35.687 17.057 1.00 38.68 H new ATOM 0 H2 MET A 1 1.488 34.047 17.406 1.00 38.68 H new ATOM 0 H3 MET A 1 2.158 34.738 16.008 1.00 38.68 H new ATOM 0 HA MET A 1 -0.509 33.759 16.522 1.00 37.45 H new ATOM 0 HB2 MET A 1 -0.058 36.354 15.023 1.00 37.01 H new ATOM 0 HB3 MET A 1 -1.464 35.339 14.771 1.00 37.01 H new ATOM 0 HG2 MET A 1 -2.318 36.663 16.443 1.00 38.31 H new ATOM 0 HG3 MET A 1 -1.584 35.426 17.445 1.00 38.31 H new ATOM 0 HE1 MET A 1 -0.566 39.849 17.126 1.00 39.38 H new ATOM 0 HE2 MET A 1 -0.874 38.876 15.668 1.00 39.38 H new ATOM 0 HE3 MET A 1 -2.126 39.017 16.924 1.00 39.38 H new ATOM 20 N LYS A 2 -0.454 32.989 13.965 1.00 34.56 N ATOM 21 CA LYS A 2 -0.289 32.339 12.669 1.00 33.06 C ATOM 22 C LYS A 2 -1.597 32.548 11.910 1.00 31.42 C ATOM 23 O LYS A 2 -1.682 33.455 11.091 1.00 30.90 O ATOM 24 CB LYS A 2 0.113 30.863 12.859 1.00 33.44 C ATOM 25 CG LYS A 2 0.068 30.037 11.562 1.00 32.54 C ATOM 26 CD LYS A 2 0.743 28.672 11.757 1.00 33.25 C ATOM 27 CE LYS A 2 0.527 27.755 10.544 1.00 32.30 C ATOM 28 NZ LYS A 2 -0.791 27.088 10.564 1.00 32.14 N ATOM 0 H LYS A 2 -1.410 32.935 14.317 1.00 34.56 H new ATOM 0 HA LYS A 2 0.522 32.768 12.081 1.00 33.06 H new ATOM 0 HB2 LYS A 2 1.121 30.821 13.271 1.00 33.44 H new ATOM 0 HB3 LYS A 2 -0.551 30.407 13.593 1.00 33.44 H new ATOM 0 HG2 LYS A 2 -0.967 29.894 11.253 1.00 32.54 H new ATOM 0 HG3 LYS A 2 0.567 30.583 10.761 1.00 32.54 H new ATOM 0 HD2 LYS A 2 1.811 28.814 11.921 1.00 33.25 H new ATOM 0 HD3 LYS A 2 0.344 28.193 12.651 1.00 33.25 H new ATOM 0 HE2 LYS A 2 0.620 28.341 9.629 1.00 32.30 H new ATOM 0 HE3 LYS A 2 1.312 26.999 10.520 1.00 32.30 H new ATOM 0 HZ1 LYS A 2 -1.193 27.084 9.605 1.00 32.14 H new ATOM 0 HZ2 LYS A 2 -0.680 26.109 10.897 1.00 32.14 H new ATOM 0 HZ3 LYS A 2 -1.430 27.601 11.205 1.00 32.14 H new ATOM 42 N GLN A 3 -2.628 31.780 12.280 1.00 30.80 N ATOM 43 CA GLN A 3 -3.911 31.682 11.588 1.00 29.24 C ATOM 44 C GLN A 3 -3.720 30.966 10.247 1.00 27.80 C ATOM 45 O GLN A 3 -2.652 31.048 9.646 1.00 27.97 O ATOM 46 CB GLN A 3 -4.595 33.050 11.427 1.00 28.86 C ATOM 47 CG GLN A 3 -6.119 32.895 11.529 1.00 28.43 C ATOM 48 CD GLN A 3 -6.864 33.884 10.638 1.00 27.73 C ATOM 49 OE1 GLN A 3 -7.455 33.500 9.639 1.00 26.84 O ATOM 50 NE2 GLN A 3 -6.859 35.166 10.973 1.00 28.27 N ATOM 0 H GLN A 3 -2.585 31.185 13.107 1.00 30.80 H new ATOM 0 HA GLN A 3 -4.588 31.088 12.202 1.00 29.24 H new ATOM 0 HB2 GLN A 3 -4.239 33.736 12.196 1.00 28.86 H new ATOM 0 HB3 GLN A 3 -4.330 33.486 10.464 1.00 28.86 H new ATOM 0 HG2 GLN A 3 -6.398 31.878 11.251 1.00 28.43 H new ATOM 0 HG3 GLN A 3 -6.428 33.039 12.564 1.00 28.43 H new ATOM 0 HE21 GLN A 3 -6.362 35.473 11.809 1.00 28.27 H new ATOM 0 HE22 GLN A 3 -7.352 35.846 10.395 1.00 28.27 H new ATOM 59 N ASP A 4 -4.712 30.185 9.817 1.00 26.54 N ATOM 60 CA ASP A 4 -4.584 29.301 8.664 1.00 25.19 C ATOM 61 C ASP A 4 -5.961 28.717 8.348 1.00 23.93 C ATOM 62 O ASP A 4 -6.847 28.782 9.203 1.00 24.42 O ATOM 63 CB ASP A 4 -3.621 28.168 9.038 1.00 25.69 C ATOM 64 CG ASP A 4 -2.965 27.498 7.842 1.00 24.98 C ATOM 65 OD1 ASP A 4 -3.428 27.727 6.707 1.00 24.12 O ATOM 66 OD2 ASP A 4 -1.971 26.785 8.117 1.00 25.51 O ATOM 0 H ASP A 4 -5.629 30.150 10.262 1.00 26.54 H new ATOM 0 HA ASP A 4 -4.206 29.841 7.796 1.00 25.19 H new ATOM 0 HB2 ASP A 4 -2.844 28.565 9.691 1.00 25.69 H new ATOM 0 HB3 ASP A 4 -4.165 27.416 9.610 1.00 25.69 H new ATOM 71 N GLY A 5 -6.150 28.117 7.173 1.00 22.45 N ATOM 72 CA GLY A 5 -7.371 27.396 6.858 1.00 21.26 C ATOM 73 C GLY A 5 -7.445 27.068 5.371 1.00 19.54 C ATOM 74 O GLY A 5 -7.112 27.903 4.535 1.00 19.19 O ATOM 0 H GLY A 5 -5.462 28.120 6.420 1.00 22.45 H new ATOM 0 HA2 GLY A 5 -7.414 26.475 7.440 1.00 21.26 H new ATOM 0 HA3 GLY A 5 -8.235 27.995 7.145 1.00 21.26 H new ATOM 78 N GLU A 6 -7.933 25.872 5.038 1.00 18.59 N ATOM 79 CA GLU A 6 -8.237 25.461 3.676 1.00 16.94 C ATOM 80 C GLU A 6 -9.480 24.578 3.729 1.00 16.07 C ATOM 81 O GLU A 6 -9.689 23.871 4.714 1.00 16.82 O ATOM 82 CB GLU A 6 -7.080 24.660 3.061 1.00 16.94 C ATOM 83 CG GLU A 6 -5.947 25.552 2.545 1.00 17.42 C ATOM 84 CD GLU A 6 -4.997 24.749 1.654 1.00 17.21 C ATOM 85 OE1 GLU A 6 -3.901 24.390 2.140 1.00 18.04 O ATOM 86 OE2 GLU A 6 -5.389 24.491 0.494 1.00 16.44 O ATOM 0 H GLU A 6 -8.131 25.148 5.729 1.00 18.59 H new ATOM 0 HA GLU A 6 -8.397 26.345 3.059 1.00 16.94 H new ATOM 0 HB2 GLU A 6 -6.683 23.972 3.808 1.00 16.94 H new ATOM 0 HB3 GLU A 6 -7.461 24.053 2.240 1.00 16.94 H new ATOM 0 HG2 GLU A 6 -6.362 26.389 1.983 1.00 17.42 H new ATOM 0 HG3 GLU A 6 -5.397 25.974 3.386 1.00 17.42 H new ATOM 93 N GLU A 7 -10.284 24.601 2.667 1.00 14.71 N ATOM 94 CA GLU A 7 -11.393 23.700 2.436 1.00 13.83 C ATOM 95 C GLU A 7 -11.638 23.775 0.930 1.00 12.42 C ATOM 96 O GLU A 7 -11.575 24.857 0.348 1.00 12.26 O ATOM 97 CB GLU A 7 -12.625 24.134 3.241 1.00 14.39 C ATOM 98 CG GLU A 7 -13.762 23.124 3.065 1.00 13.99 C ATOM 99 CD GLU A 7 -14.919 23.413 4.024 1.00 15.22 C ATOM 100 OE1 GLU A 7 -15.019 22.688 5.038 1.00 16.38 O ATOM 101 OE2 GLU A 7 -15.688 24.353 3.727 1.00 15.24 O ATOM 0 H GLU A 7 -10.168 25.281 1.916 1.00 14.71 H new ATOM 0 HA GLU A 7 -11.182 22.680 2.758 1.00 13.83 H new ATOM 0 HB2 GLU A 7 -12.366 24.219 4.296 1.00 14.39 H new ATOM 0 HB3 GLU A 7 -12.953 25.120 2.913 1.00 14.39 H new ATOM 0 HG2 GLU A 7 -14.123 23.156 2.037 1.00 13.99 H new ATOM 0 HG3 GLU A 7 -13.386 22.116 3.240 1.00 13.99 H new ATOM 108 N GLY A 8 -11.836 22.634 0.278 1.00 11.65 N ATOM 109 CA GLY A 8 -11.980 22.575 -1.166 1.00 10.49 C ATOM 110 C GLY A 8 -11.782 21.139 -1.633 1.00 9.53 C ATOM 111 O GLY A 8 -12.350 20.231 -1.035 1.00 9.72 O ATOM 0 H GLY A 8 -11.901 21.726 0.739 1.00 11.65 H new ATOM 0 HA2 GLY A 8 -12.967 22.932 -1.459 1.00 10.49 H new ATOM 0 HA3 GLY A 8 -11.250 23.229 -1.643 1.00 10.49 H new ATOM 115 N THR A 9 -10.952 20.951 -2.666 1.00 8.95 N ATOM 116 CA THR A 9 -10.741 19.684 -3.361 1.00 8.16 C ATOM 117 C THR A 9 -12.073 19.036 -3.775 1.00 7.17 C ATOM 118 O THR A 9 -13.070 19.737 -3.942 1.00 7.36 O ATOM 119 CB THR A 9 -9.721 18.805 -2.615 1.00 8.89 C ATOM 120 OG1 THR A 9 -9.262 17.777 -3.468 1.00 8.81 O ATOM 121 CG2 THR A 9 -10.243 18.178 -1.332 1.00 9.44 C ATOM 0 H THR A 9 -10.389 21.709 -3.052 1.00 8.95 H new ATOM 0 HA THR A 9 -10.257 19.858 -4.322 1.00 8.16 H new ATOM 0 HB THR A 9 -8.915 19.479 -2.325 1.00 8.89 H new ATOM 0 HG1 THR A 9 -8.612 17.221 -2.990 1.00 8.81 H new ATOM 0 HG21 THR A 9 -9.457 17.577 -0.875 1.00 9.44 H new ATOM 0 HG22 THR A 9 -10.547 18.964 -0.641 1.00 9.44 H new ATOM 0 HG23 THR A 9 -11.099 17.543 -1.559 1.00 9.44 H new ATOM 129 N GLU A 10 -12.092 17.722 -4.000 1.00 6.47 N ATOM 130 CA GLU A 10 -13.304 16.957 -4.249 1.00 5.88 C ATOM 131 C GLU A 10 -13.230 15.672 -3.430 1.00 5.43 C ATOM 132 O GLU A 10 -12.195 15.355 -2.840 1.00 5.70 O ATOM 133 CB GLU A 10 -13.486 16.663 -5.749 1.00 5.75 C ATOM 134 CG GLU A 10 -14.138 17.844 -6.477 1.00 6.80 C ATOM 135 CD GLU A 10 -14.703 17.418 -7.834 1.00 7.25 C ATOM 136 OE1 GLU A 10 -15.928 17.169 -7.890 1.00 8.01 O ATOM 137 OE2 GLU A 10 -13.906 17.347 -8.795 1.00 7.43 O ATOM 0 H GLU A 10 -11.246 17.153 -4.014 1.00 6.47 H new ATOM 0 HA GLU A 10 -14.176 17.536 -3.945 1.00 5.88 H new ATOM 0 HB2 GLU A 10 -12.517 16.447 -6.199 1.00 5.75 H new ATOM 0 HB3 GLU A 10 -14.101 15.772 -5.874 1.00 5.75 H new ATOM 0 HG2 GLU A 10 -14.937 18.257 -5.861 1.00 6.80 H new ATOM 0 HG3 GLU A 10 -13.403 18.637 -6.619 1.00 6.80 H new ATOM 144 N GLU A 11 -14.341 14.940 -3.357 1.00 5.38 N ATOM 145 CA GLU A 11 -14.394 13.698 -2.609 1.00 5.27 C ATOM 146 C GLU A 11 -13.593 12.645 -3.365 1.00 4.21 C ATOM 147 O GLU A 11 -14.005 12.220 -4.441 1.00 4.18 O ATOM 148 CB GLU A 11 -15.853 13.257 -2.445 1.00 6.31 C ATOM 149 CG GLU A 11 -15.942 12.070 -1.478 1.00 6.95 C ATOM 150 CD GLU A 11 -17.370 11.538 -1.346 1.00 8.15 C ATOM 151 OE1 GLU A 11 -18.301 12.375 -1.312 1.00 8.88 O ATOM 152 OE2 GLU A 11 -17.511 10.299 -1.256 1.00 8.72 O ATOM 0 H GLU A 11 -15.218 15.193 -3.812 1.00 5.38 H new ATOM 0 HA GLU A 11 -13.966 13.833 -1.616 1.00 5.27 H new ATOM 0 HB2 GLU A 11 -16.451 14.087 -2.069 1.00 6.31 H new ATOM 0 HB3 GLU A 11 -16.267 12.978 -3.414 1.00 6.31 H new ATOM 0 HG2 GLU A 11 -15.289 11.270 -1.826 1.00 6.95 H new ATOM 0 HG3 GLU A 11 -15.577 12.375 -0.497 1.00 6.95 H new ATOM 159 N ASP A 12 -12.455 12.214 -2.819 1.00 3.97 N ATOM 160 CA ASP A 12 -11.672 11.189 -3.484 1.00 3.15 C ATOM 161 C ASP A 12 -10.961 10.329 -2.444 1.00 2.57 C ATOM 162 O ASP A 12 -9.995 10.772 -1.816 1.00 3.33 O ATOM 163 CB ASP A 12 -10.690 11.846 -4.463 1.00 4.08 C ATOM 164 CG ASP A 12 -10.307 10.874 -5.572 1.00 4.32 C ATOM 165 OD1 ASP A 12 -10.762 9.711 -5.490 1.00 4.56 O ATOM 166 OD2 ASP A 12 -9.544 11.306 -6.462 1.00 5.09 O ATOM 0 H ASP A 12 -12.067 12.553 -1.939 1.00 3.97 H new ATOM 0 HA ASP A 12 -12.323 10.533 -4.061 1.00 3.15 H new ATOM 0 HB2 ASP A 12 -11.142 12.739 -4.895 1.00 4.08 H new ATOM 0 HB3 ASP A 12 -9.796 12.167 -3.929 1.00 4.08 H new ATOM 171 N THR A 13 -11.480 9.128 -2.174 1.00 1.90 N ATOM 172 CA THR A 13 -10.990 8.285 -1.082 1.00 2.25 C ATOM 173 C THR A 13 -11.194 6.779 -1.314 1.00 2.06 C ATOM 174 O THR A 13 -10.747 5.977 -0.500 1.00 2.92 O ATOM 175 CB THR A 13 -11.611 8.824 0.229 1.00 3.06 C ATOM 176 OG1 THR A 13 -10.736 9.799 0.757 1.00 4.04 O ATOM 177 CG2 THR A 13 -11.914 7.822 1.345 1.00 4.14 C ATOM 0 H THR A 13 -12.248 8.715 -2.704 1.00 1.90 H new ATOM 0 HA THR A 13 -9.904 8.354 -1.020 1.00 2.25 H new ATOM 0 HB THR A 13 -12.589 9.196 -0.075 1.00 3.06 H new ATOM 0 HG1 THR A 13 -10.325 10.302 0.023 1.00 4.04 H new ATOM 0 HG21 THR A 13 -12.345 8.347 2.198 1.00 4.14 H new ATOM 0 HG22 THR A 13 -12.622 7.076 0.982 1.00 4.14 H new ATOM 0 HG23 THR A 13 -10.992 7.328 1.651 1.00 4.14 H new ATOM 185 N GLU A 14 -11.791 6.365 -2.433 1.00 1.48 N ATOM 186 CA GLU A 14 -12.035 4.948 -2.699 1.00 1.87 C ATOM 187 C GLU A 14 -10.713 4.198 -2.857 1.00 1.72 C ATOM 188 O GLU A 14 -10.531 3.121 -2.294 1.00 2.28 O ATOM 189 CB GLU A 14 -12.897 4.792 -3.962 1.00 2.14 C ATOM 190 CG GLU A 14 -14.388 5.002 -3.672 1.00 2.67 C ATOM 191 CD GLU A 14 -14.979 3.821 -2.897 1.00 3.33 C ATOM 192 OE1 GLU A 14 -15.508 2.902 -3.560 1.00 4.53 O ATOM 193 OE2 GLU A 14 -14.878 3.847 -1.650 1.00 3.92 O ATOM 0 H GLU A 14 -12.114 6.992 -3.170 1.00 1.48 H new ATOM 0 HA GLU A 14 -12.572 4.519 -1.853 1.00 1.87 H new ATOM 0 HB2 GLU A 14 -12.570 5.509 -4.715 1.00 2.14 H new ATOM 0 HB3 GLU A 14 -12.746 3.798 -4.383 1.00 2.14 H new ATOM 0 HG2 GLU A 14 -14.523 5.919 -3.099 1.00 2.67 H new ATOM 0 HG3 GLU A 14 -14.928 5.130 -4.610 1.00 2.67 H new ATOM 200 N GLU A 15 -9.777 4.760 -3.625 1.00 1.13 N ATOM 201 CA GLU A 15 -8.530 4.086 -3.946 1.00 1.11 C ATOM 202 C GLU A 15 -7.344 4.997 -3.625 1.00 0.90 C ATOM 203 O GLU A 15 -6.735 5.597 -4.508 1.00 0.84 O ATOM 204 CB GLU A 15 -8.562 3.569 -5.395 1.00 1.27 C ATOM 205 CG GLU A 15 -9.022 4.593 -6.443 1.00 2.10 C ATOM 206 CD GLU A 15 -8.774 4.066 -7.860 1.00 2.72 C ATOM 207 OE1 GLU A 15 -9.207 2.923 -8.127 1.00 2.67 O ATOM 208 OE2 GLU A 15 -8.153 4.804 -8.656 1.00 3.92 O ATOM 0 H GLU A 15 -9.867 5.689 -4.036 1.00 1.13 H new ATOM 0 HA GLU A 15 -8.404 3.202 -3.321 1.00 1.11 H new ATOM 0 HB2 GLU A 15 -7.564 3.222 -5.663 1.00 1.27 H new ATOM 0 HB3 GLU A 15 -9.223 2.704 -5.441 1.00 1.27 H new ATOM 0 HG2 GLU A 15 -10.083 4.806 -6.309 1.00 2.10 H new ATOM 0 HG3 GLU A 15 -8.488 5.532 -6.300 1.00 2.10 H new ATOM 215 N LYS A 16 -6.991 5.084 -2.336 1.00 0.94 N ATOM 216 CA LYS A 16 -5.817 5.827 -1.889 1.00 0.86 C ATOM 217 C LYS A 16 -4.756 4.871 -1.347 1.00 0.91 C ATOM 218 O LYS A 16 -5.049 3.961 -0.574 1.00 1.13 O ATOM 219 CB LYS A 16 -6.182 6.867 -0.812 1.00 1.04 C ATOM 220 CG LYS A 16 -6.486 8.235 -1.434 1.00 1.88 C ATOM 221 CD LYS A 16 -6.465 9.382 -0.417 1.00 1.70 C ATOM 222 CE LYS A 16 -6.206 10.715 -1.137 1.00 1.82 C ATOM 223 NZ LYS A 16 -7.444 11.381 -1.595 1.00 2.99 N ATOM 0 H LYS A 16 -7.513 4.641 -1.580 1.00 0.94 H new ATOM 0 HA LYS A 16 -5.417 6.358 -2.752 1.00 0.86 H new ATOM 0 HB2 LYS A 16 -7.049 6.521 -0.249 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -5.359 6.963 -0.103 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -5.757 8.440 -2.218 1.00 1.88 H new ATOM 0 HG3 LYS A 16 -7.465 8.200 -1.911 1.00 1.88 H new ATOM 0 HD2 LYS A 16 -7.415 9.425 0.115 1.00 1.70 H new ATOM 0 HD3 LYS A 16 -5.690 9.205 0.328 1.00 1.70 H new ATOM 0 HE2 LYS A 16 -5.668 11.384 -0.466 1.00 1.82 H new ATOM 0 HE3 LYS A 16 -5.558 10.537 -1.995 1.00 1.82 H new ATOM 0 HZ1 LYS A 16 -7.298 11.767 -2.550 1.00 2.99 H new ATOM 0 HZ2 LYS A 16 -8.222 10.691 -1.616 1.00 2.99 H new ATOM 0 HZ3 LYS A 16 -7.684 12.154 -0.942 1.00 2.99 H new ATOM 237 N CYS A 17 -3.510 5.138 -1.732 1.00 0.78 N ATOM 238 CA CYS A 17 -2.278 4.556 -1.223 1.00 0.81 C ATOM 239 C CYS A 17 -2.051 5.127 0.176 1.00 0.85 C ATOM 240 O CYS A 17 -2.029 6.345 0.336 1.00 1.03 O ATOM 241 CB CYS A 17 -1.172 5.080 -2.153 1.00 0.74 C ATOM 242 SG CYS A 17 0.515 4.546 -1.723 1.00 0.75 S ATOM 0 H CYS A 17 -3.325 5.822 -2.466 1.00 0.78 H new ATOM 0 HA CYS A 17 -2.299 3.467 -1.185 1.00 0.81 H new ATOM 0 HB2 CYS A 17 -1.391 4.756 -3.171 1.00 0.74 H new ATOM 0 HB3 CYS A 17 -1.203 6.170 -2.151 1.00 0.74 H new ATOM 247 N THR A 18 -1.834 4.289 1.192 1.00 0.76 N ATOM 248 CA THR A 18 -1.610 4.813 2.538 1.00 0.83 C ATOM 249 C THR A 18 -0.184 5.325 2.740 1.00 0.77 C ATOM 250 O THR A 18 0.081 5.943 3.766 1.00 0.92 O ATOM 251 CB THR A 18 -1.965 3.770 3.603 1.00 0.88 C ATOM 252 OG1 THR A 18 -2.256 4.401 4.828 1.00 0.99 O ATOM 253 CG2 THR A 18 -0.817 2.798 3.836 1.00 0.83 C ATOM 0 H THR A 18 -1.809 3.272 1.112 1.00 0.76 H new ATOM 0 HA THR A 18 -2.276 5.669 2.652 1.00 0.83 H new ATOM 0 HB THR A 18 -2.834 3.223 3.237 1.00 0.88 H new ATOM 0 HG1 THR A 18 -1.627 5.138 4.974 1.00 0.99 H new ATOM 0 HG21 THR A 18 -1.103 2.072 4.597 1.00 0.83 H new ATOM 0 HG22 THR A 18 -0.587 2.277 2.907 1.00 0.83 H new ATOM 0 HG23 THR A 18 0.063 3.347 4.171 1.00 0.83 H new ATOM 261 N ILE A 19 0.753 5.004 1.840 1.00 0.64 N ATOM 262 CA ILE A 19 2.158 5.315 2.028 1.00 0.64 C ATOM 263 C ILE A 19 2.420 6.724 1.507 1.00 0.66 C ATOM 264 O ILE A 19 2.922 7.569 2.240 1.00 0.77 O ATOM 265 CB ILE A 19 2.998 4.237 1.330 1.00 0.54 C ATOM 266 CG1 ILE A 19 2.980 2.960 2.184 1.00 0.52 C ATOM 267 CG2 ILE A 19 4.440 4.706 1.123 1.00 0.55 C ATOM 268 CD1 ILE A 19 3.329 1.733 1.346 1.00 0.46 C ATOM 0 H ILE A 19 0.549 4.522 0.965 1.00 0.64 H new ATOM 0 HA ILE A 19 2.441 5.307 3.081 1.00 0.64 H new ATOM 0 HB ILE A 19 2.568 4.038 0.348 1.00 0.54 H new ATOM 0 HG12 ILE A 19 3.691 3.058 3.005 1.00 0.52 H new ATOM 0 HG13 ILE A 19 1.994 2.831 2.630 1.00 0.52 H new ATOM 0 HG21 ILE A 19 5.010 3.921 0.626 1.00 0.55 H new ATOM 0 HG22 ILE A 19 4.445 5.604 0.506 1.00 0.55 H new ATOM 0 HG23 ILE A 19 4.893 4.927 2.089 1.00 0.55 H new ATOM 0 HD11 ILE A 19 3.309 0.844 1.976 1.00 0.46 H new ATOM 0 HD12 ILE A 19 2.602 1.624 0.541 1.00 0.46 H new ATOM 0 HD13 ILE A 19 4.326 1.854 0.921 1.00 0.46 H new ATOM 280 N CYS A 20 2.077 6.981 0.241 1.00 0.59 N ATOM 281 CA CYS A 20 2.216 8.308 -0.342 1.00 0.65 C ATOM 282 C CYS A 20 0.957 9.145 -0.080 1.00 0.74 C ATOM 283 O CYS A 20 0.925 10.315 -0.455 1.00 0.79 O ATOM 284 CB CYS A 20 2.476 8.179 -1.849 1.00 0.68 C ATOM 285 SG CYS A 20 1.161 7.241 -2.669 1.00 1.65 S ATOM 0 H CYS A 20 1.700 6.281 -0.397 1.00 0.59 H new ATOM 0 HA CYS A 20 3.060 8.817 0.123 1.00 0.65 H new ATOM 0 HB2 CYS A 20 2.548 9.172 -2.293 1.00 0.68 H new ATOM 0 HB3 CYS A 20 3.434 7.685 -2.014 1.00 0.68 H new ATOM 290 N LEU A 21 -0.069 8.568 0.562 1.00 0.80 N ATOM 291 CA LEU A 21 -1.297 9.249 0.958 1.00 0.85 C ATOM 292 C LEU A 21 -1.897 10.015 -0.219 1.00 0.84 C ATOM 293 O LEU A 21 -2.356 11.148 -0.088 1.00 0.93 O ATOM 294 CB LEU A 21 -1.029 10.095 2.211 1.00 0.93 C ATOM 295 CG LEU A 21 -0.631 9.202 3.399 1.00 1.00 C ATOM 296 CD1 LEU A 21 0.000 10.042 4.506 1.00 1.10 C ATOM 297 CD2 LEU A 21 -1.847 8.463 3.967 1.00 1.03 C ATOM 0 H LEU A 21 -0.061 7.583 0.826 1.00 0.80 H new ATOM 0 HA LEU A 21 -2.065 8.527 1.237 1.00 0.85 H new ATOM 0 HB2 LEU A 21 -0.234 10.813 2.007 1.00 0.93 H new ATOM 0 HB3 LEU A 21 -1.920 10.670 2.465 1.00 0.93 H new ATOM 0 HG LEU A 21 0.090 8.470 3.034 1.00 1.00 H new ATOM 0 HD11 LEU A 21 0.276 9.397 5.340 1.00 1.10 H new ATOM 0 HD12 LEU A 21 0.890 10.540 4.122 1.00 1.10 H new ATOM 0 HD13 LEU A 21 -0.715 10.790 4.848 1.00 1.10 H new ATOM 0 HD21 LEU A 21 -1.535 7.840 4.805 1.00 1.03 H new ATOM 0 HD22 LEU A 21 -2.586 9.188 4.309 1.00 1.03 H new ATOM 0 HD23 LEU A 21 -2.286 7.835 3.192 1.00 1.03 H new ATOM 309 N SER A 22 -1.931 9.356 -1.377 1.00 0.80 N ATOM 310 CA SER A 22 -2.370 9.942 -2.627 1.00 0.78 C ATOM 311 C SER A 22 -3.235 8.934 -3.367 1.00 0.71 C ATOM 312 O SER A 22 -3.184 7.739 -3.081 1.00 0.74 O ATOM 313 CB SER A 22 -1.153 10.348 -3.465 1.00 0.79 C ATOM 314 OG SER A 22 -1.332 11.668 -3.930 1.00 1.60 O ATOM 0 H SER A 22 -1.647 8.380 -1.466 1.00 0.80 H new ATOM 0 HA SER A 22 -2.960 10.838 -2.436 1.00 0.78 H new ATOM 0 HB2 SER A 22 -0.245 10.280 -2.866 1.00 0.79 H new ATOM 0 HB3 SER A 22 -1.032 9.666 -4.307 1.00 0.79 H new ATOM 0 HG SER A 22 -0.556 11.934 -4.466 1.00 1.60 H new ATOM 320 N ILE A 23 -4.070 9.421 -4.280 1.00 0.73 N ATOM 321 CA ILE A 23 -4.940 8.591 -5.084 1.00 0.80 C ATOM 322 C ILE A 23 -4.118 7.778 -6.082 1.00 0.71 C ATOM 323 O ILE A 23 -2.998 8.143 -6.437 1.00 0.67 O ATOM 324 CB ILE A 23 -5.973 9.514 -5.748 1.00 0.94 C ATOM 325 CG1 ILE A 23 -7.017 9.954 -4.716 1.00 1.12 C ATOM 326 CG2 ILE A 23 -6.672 8.905 -6.952 1.00 1.11 C ATOM 327 CD1 ILE A 23 -8.034 8.849 -4.416 1.00 2.15 C ATOM 0 H ILE A 23 -4.157 10.417 -4.479 1.00 0.73 H new ATOM 0 HA ILE A 23 -5.473 7.858 -4.479 1.00 0.80 H new ATOM 0 HB ILE A 23 -5.412 10.370 -6.123 1.00 0.94 H new ATOM 0 HG12 ILE A 23 -6.514 10.243 -3.793 1.00 1.12 H new ATOM 0 HG13 ILE A 23 -7.540 10.837 -5.084 1.00 1.12 H new ATOM 0 HG21 ILE A 23 -7.384 9.622 -7.360 1.00 1.11 H new ATOM 0 HG22 ILE A 23 -5.933 8.654 -7.713 1.00 1.11 H new ATOM 0 HG23 ILE A 23 -7.201 8.002 -6.647 1.00 1.11 H new ATOM 0 HD11 ILE A 23 -8.754 9.207 -3.680 1.00 2.15 H new ATOM 0 HD12 ILE A 23 -8.558 8.578 -5.333 1.00 2.15 H new ATOM 0 HD13 ILE A 23 -7.516 7.975 -4.022 1.00 2.15 H new ATOM 339 N LEU A 24 -4.703 6.654 -6.483 1.00 0.74 N ATOM 340 CA LEU A 24 -4.220 5.715 -7.475 1.00 0.72 C ATOM 341 C LEU A 24 -4.897 6.009 -8.818 1.00 0.83 C ATOM 342 O LEU A 24 -5.482 7.069 -9.009 1.00 0.87 O ATOM 343 CB LEU A 24 -4.592 4.313 -6.965 1.00 0.71 C ATOM 344 CG LEU A 24 -4.001 4.043 -5.572 1.00 0.67 C ATOM 345 CD1 LEU A 24 -4.464 2.702 -5.026 1.00 0.77 C ATOM 346 CD2 LEU A 24 -2.487 4.065 -5.664 1.00 0.55 C ATOM 0 H LEU A 24 -5.596 6.358 -6.089 1.00 0.74 H new ATOM 0 HA LEU A 24 -3.143 5.791 -7.623 1.00 0.72 H new ATOM 0 HB2 LEU A 24 -5.677 4.215 -6.926 1.00 0.71 H new ATOM 0 HB3 LEU A 24 -4.229 3.562 -7.667 1.00 0.71 H new ATOM 0 HG LEU A 24 -4.348 4.819 -4.890 1.00 0.67 H new ATOM 0 HD11 LEU A 24 -4.029 2.541 -4.040 1.00 0.77 H new ATOM 0 HD12 LEU A 24 -5.551 2.697 -4.948 1.00 0.77 H new ATOM 0 HD13 LEU A 24 -4.145 1.906 -5.698 1.00 0.77 H new ATOM 0 HD21 LEU A 24 -2.060 3.874 -4.679 1.00 0.55 H new ATOM 0 HD22 LEU A 24 -2.154 3.295 -6.360 1.00 0.55 H new ATOM 0 HD23 LEU A 24 -2.158 5.042 -6.019 1.00 0.55 H new ATOM 358 N GLU A 25 -4.856 5.072 -9.756 1.00 0.96 N ATOM 359 CA GLU A 25 -5.764 5.079 -10.892 1.00 1.08 C ATOM 360 C GLU A 25 -6.051 3.652 -11.363 1.00 1.19 C ATOM 361 O GLU A 25 -5.447 2.683 -10.892 1.00 1.21 O ATOM 362 CB GLU A 25 -5.207 5.960 -12.020 1.00 1.05 C ATOM 363 CG GLU A 25 -3.904 5.424 -12.626 1.00 1.11 C ATOM 364 CD GLU A 25 -3.379 6.302 -13.769 1.00 1.21 C ATOM 365 OE1 GLU A 25 -2.659 5.754 -14.633 1.00 2.12 O ATOM 366 OE2 GLU A 25 -3.688 7.516 -13.772 1.00 1.49 O ATOM 0 H GLU A 25 -4.198 4.293 -9.751 1.00 0.96 H new ATOM 0 HA GLU A 25 -6.715 5.512 -10.581 1.00 1.08 H new ATOM 0 HB2 GLU A 25 -5.956 6.046 -12.807 1.00 1.05 H new ATOM 0 HB3 GLU A 25 -5.033 6.964 -11.634 1.00 1.05 H new ATOM 0 HG2 GLU A 25 -3.145 5.358 -11.846 1.00 1.11 H new ATOM 0 HG3 GLU A 25 -4.069 4.412 -12.997 1.00 1.11 H new ATOM 373 N GLU A 26 -6.976 3.511 -12.313 1.00 1.31 N ATOM 374 CA GLU A 26 -7.340 2.212 -12.851 1.00 1.42 C ATOM 375 C GLU A 26 -6.176 1.665 -13.675 1.00 1.45 C ATOM 376 O GLU A 26 -5.654 2.351 -14.549 1.00 1.72 O ATOM 377 CB GLU A 26 -8.633 2.343 -13.670 1.00 1.62 C ATOM 378 CG GLU A 26 -9.248 0.989 -14.053 1.00 1.56 C ATOM 379 CD GLU A 26 -8.720 0.426 -15.374 1.00 3.50 C ATOM 380 OE1 GLU A 26 -7.899 -0.515 -15.308 1.00 4.80 O ATOM 381 OE2 GLU A 26 -9.183 0.913 -16.430 1.00 4.46 O ATOM 0 H GLU A 26 -7.487 4.292 -12.725 1.00 1.31 H new ATOM 0 HA GLU A 26 -7.536 1.501 -12.048 1.00 1.42 H new ATOM 0 HB2 GLU A 26 -9.362 2.916 -13.097 1.00 1.62 H new ATOM 0 HB3 GLU A 26 -8.424 2.909 -14.578 1.00 1.62 H new ATOM 0 HG2 GLU A 26 -9.049 0.271 -13.257 1.00 1.56 H new ATOM 0 HG3 GLU A 26 -10.330 1.098 -14.121 1.00 1.56 H new ATOM 388 N GLY A 27 -5.756 0.434 -13.380 1.00 1.47 N ATOM 389 CA GLY A 27 -4.704 -0.227 -14.135 1.00 1.60 C ATOM 390 C GLY A 27 -3.306 0.241 -13.736 1.00 1.37 C ATOM 391 O GLY A 27 -2.342 -0.082 -14.426 1.00 1.54 O ATOM 0 H GLY A 27 -6.136 -0.125 -12.616 1.00 1.47 H new ATOM 0 HA2 GLY A 27 -4.778 -1.304 -13.986 1.00 1.60 H new ATOM 0 HA3 GLY A 27 -4.855 -0.041 -15.198 1.00 1.60 H new ATOM 395 N GLU A 28 -3.169 0.985 -12.634 1.00 1.13 N ATOM 396 CA GLU A 28 -1.871 1.443 -12.174 1.00 0.96 C ATOM 397 C GLU A 28 -1.086 0.280 -11.563 1.00 0.85 C ATOM 398 O GLU A 28 -1.633 -0.771 -11.222 1.00 0.89 O ATOM 399 CB GLU A 28 -2.061 2.547 -11.125 1.00 0.88 C ATOM 400 CG GLU A 28 -0.969 3.622 -11.179 1.00 1.09 C ATOM 401 CD GLU A 28 -1.041 4.581 -9.990 1.00 1.33 C ATOM 402 OE1 GLU A 28 -1.935 4.422 -9.129 1.00 2.29 O ATOM 403 OE2 GLU A 28 -0.133 5.433 -9.867 1.00 2.09 O ATOM 0 H GLU A 28 -3.950 1.280 -12.047 1.00 1.13 H new ATOM 0 HA GLU A 28 -1.311 1.837 -13.022 1.00 0.96 H new ATOM 0 HB2 GLU A 28 -3.033 3.017 -11.273 1.00 0.88 H new ATOM 0 HB3 GLU A 28 -2.072 2.098 -10.132 1.00 0.88 H new ATOM 0 HG2 GLU A 28 0.010 3.142 -11.198 1.00 1.09 H new ATOM 0 HG3 GLU A 28 -1.064 4.188 -12.106 1.00 1.09 H new ATOM 410 N ASP A 29 0.208 0.497 -11.356 1.00 0.78 N ATOM 411 CA ASP A 29 1.058 -0.424 -10.626 1.00 0.71 C ATOM 412 C ASP A 29 0.646 -0.392 -9.152 1.00 0.53 C ATOM 413 O ASP A 29 0.937 0.565 -8.430 1.00 0.50 O ATOM 414 CB ASP A 29 2.531 -0.030 -10.779 1.00 0.83 C ATOM 415 CG ASP A 29 2.939 0.175 -12.233 1.00 1.51 C ATOM 416 OD1 ASP A 29 2.907 1.348 -12.663 1.00 2.52 O ATOM 417 OD2 ASP A 29 3.265 -0.840 -12.884 1.00 2.20 O ATOM 0 H ASP A 29 0.697 1.326 -11.695 1.00 0.78 H new ATOM 0 HA ASP A 29 0.941 -1.432 -11.023 1.00 0.71 H new ATOM 0 HB2 ASP A 29 2.717 0.888 -10.221 1.00 0.83 H new ATOM 0 HB3 ASP A 29 3.157 -0.804 -10.336 1.00 0.83 H new ATOM 422 N VAL A 30 -0.007 -1.448 -8.672 1.00 0.54 N ATOM 423 CA VAL A 30 -0.502 -1.530 -7.310 1.00 0.49 C ATOM 424 C VAL A 30 -0.076 -2.871 -6.732 1.00 0.52 C ATOM 425 O VAL A 30 0.642 -3.637 -7.380 1.00 0.94 O ATOM 426 CB VAL A 30 -2.022 -1.280 -7.253 1.00 0.71 C ATOM 427 CG1 VAL A 30 -2.368 0.104 -7.811 1.00 0.87 C ATOM 428 CG2 VAL A 30 -2.825 -2.343 -8.010 1.00 0.95 C ATOM 0 H VAL A 30 -0.207 -2.279 -9.229 1.00 0.54 H new ATOM 0 HA VAL A 30 -0.069 -0.744 -6.692 1.00 0.49 H new ATOM 0 HB VAL A 30 -2.300 -1.336 -6.200 1.00 0.71 H new ATOM 0 HG11 VAL A 30 -3.446 0.258 -7.760 1.00 0.87 H new ATOM 0 HG12 VAL A 30 -1.864 0.870 -7.222 1.00 0.87 H new ATOM 0 HG13 VAL A 30 -2.040 0.170 -8.848 1.00 0.87 H new ATOM 0 HG21 VAL A 30 -3.889 -2.117 -7.936 1.00 0.95 H new ATOM 0 HG22 VAL A 30 -2.527 -2.346 -9.058 1.00 0.95 H new ATOM 0 HG23 VAL A 30 -2.632 -3.323 -7.575 1.00 0.95 H new ATOM 438 N ARG A 31 -0.468 -3.149 -5.494 1.00 0.46 N ATOM 439 CA ARG A 31 -0.067 -4.342 -4.781 1.00 0.45 C ATOM 440 C ARG A 31 -1.084 -4.615 -3.682 1.00 0.43 C ATOM 441 O ARG A 31 -1.977 -3.804 -3.431 1.00 0.65 O ATOM 442 CB ARG A 31 1.330 -4.123 -4.178 1.00 0.67 C ATOM 443 CG ARG A 31 2.462 -4.839 -4.933 1.00 0.88 C ATOM 444 CD ARG A 31 2.848 -6.166 -4.269 1.00 1.24 C ATOM 445 NE ARG A 31 1.818 -7.202 -4.440 1.00 2.13 N ATOM 446 CZ ARG A 31 1.713 -8.307 -3.687 1.00 3.05 C ATOM 447 NH1 ARG A 31 0.764 -9.205 -3.957 1.00 4.77 N ATOM 448 NH2 ARG A 31 2.553 -8.516 -2.674 1.00 3.04 N ATOM 0 H ARG A 31 -1.082 -2.539 -4.955 1.00 0.46 H new ATOM 0 HA ARG A 31 -0.027 -5.197 -5.456 1.00 0.45 H new ATOM 0 HB2 ARG A 31 1.541 -3.054 -4.158 1.00 0.67 H new ATOM 0 HB3 ARG A 31 1.325 -4.466 -3.143 1.00 0.67 H new ATOM 0 HG2 ARG A 31 2.151 -5.025 -5.961 1.00 0.88 H new ATOM 0 HG3 ARG A 31 3.336 -4.189 -4.978 1.00 0.88 H new ATOM 0 HD2 ARG A 31 3.788 -6.520 -4.692 1.00 1.24 H new ATOM 0 HD3 ARG A 31 3.019 -6.000 -3.205 1.00 1.24 H new ATOM 0 HE ARG A 31 1.134 -7.071 -5.185 1.00 2.13 H new ATOM 0 HH11 ARG A 31 0.121 -9.050 -4.734 1.00 4.77 H new ATOM 0 HH12 ARG A 31 0.681 -10.047 -3.387 1.00 4.77 H new ATOM 0 HH21 ARG A 31 3.282 -7.833 -2.467 1.00 3.04 H new ATOM 0 HH22 ARG A 31 2.467 -9.359 -2.106 1.00 3.04 H new ATOM 462 N ARG A 32 -0.925 -5.753 -3.006 1.00 0.67 N ATOM 463 CA ARG A 32 -1.841 -6.206 -1.979 1.00 0.69 C ATOM 464 C ARG A 32 -1.035 -6.793 -0.830 1.00 0.69 C ATOM 465 O ARG A 32 0.028 -7.364 -1.066 1.00 1.06 O ATOM 466 CB ARG A 32 -2.791 -7.250 -2.594 1.00 0.96 C ATOM 467 CG ARG A 32 -3.672 -7.964 -1.560 1.00 1.59 C ATOM 468 CD ARG A 32 -4.582 -6.974 -0.835 1.00 0.70 C ATOM 469 NE ARG A 32 -5.828 -6.742 -1.590 1.00 1.41 N ATOM 470 CZ ARG A 32 -6.716 -5.774 -1.332 1.00 2.27 C ATOM 471 NH1 ARG A 32 -7.898 -5.747 -1.947 1.00 2.79 N ATOM 472 NH2 ARG A 32 -6.412 -4.838 -0.446 1.00 3.57 N ATOM 0 H ARG A 32 -0.143 -6.389 -3.164 1.00 0.67 H new ATOM 0 HA ARG A 32 -2.439 -5.381 -1.591 1.00 0.69 H new ATOM 0 HB2 ARG A 32 -3.431 -6.759 -3.327 1.00 0.96 H new ATOM 0 HB3 ARG A 32 -2.202 -7.993 -3.132 1.00 0.96 H new ATOM 0 HG2 ARG A 32 -4.277 -8.723 -2.056 1.00 1.59 H new ATOM 0 HG3 ARG A 32 -3.042 -8.481 -0.836 1.00 1.59 H new ATOM 0 HD2 ARG A 32 -4.821 -7.356 0.158 1.00 0.70 H new ATOM 0 HD3 ARG A 32 -4.057 -6.029 -0.695 1.00 0.70 H new ATOM 0 HE ARG A 32 -6.029 -7.368 -2.370 1.00 1.41 H new ATOM 0 HH11 ARG A 32 -8.137 -6.471 -2.625 1.00 2.79 H new ATOM 0 HH12 ARG A 32 -8.564 -5.003 -1.740 1.00 2.79 H new ATOM 0 HH21 ARG A 32 -5.510 -4.860 0.030 1.00 3.57 H new ATOM 0 HH22 ARG A 32 -7.079 -4.095 -0.240 1.00 3.57 H new ATOM 486 N LEU A 33 -1.561 -6.675 0.391 1.00 0.51 N ATOM 487 CA LEU A 33 -1.015 -7.230 1.618 1.00 0.49 C ATOM 488 C LEU A 33 -2.149 -7.902 2.394 1.00 0.46 C ATOM 489 O LEU A 33 -3.317 -7.603 2.136 1.00 0.48 O ATOM 490 CB LEU A 33 -0.338 -6.141 2.480 1.00 0.54 C ATOM 491 CG LEU A 33 -0.646 -4.694 2.077 1.00 0.46 C ATOM 492 CD1 LEU A 33 -0.530 -3.783 3.295 1.00 0.59 C ATOM 493 CD2 LEU A 33 0.374 -4.206 1.048 1.00 0.94 C ATOM 0 H LEU A 33 -2.427 -6.160 0.552 1.00 0.51 H new ATOM 0 HA LEU A 33 -0.247 -7.962 1.368 1.00 0.49 H new ATOM 0 HB2 LEU A 33 -0.641 -6.283 3.517 1.00 0.54 H new ATOM 0 HB3 LEU A 33 0.741 -6.289 2.440 1.00 0.54 H new ATOM 0 HG LEU A 33 -1.654 -4.665 1.663 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -0.750 -2.756 3.003 1.00 0.59 H new ATOM 0 HD12 LEU A 33 -1.240 -4.103 4.058 1.00 0.59 H new ATOM 0 HD13 LEU A 33 0.482 -3.838 3.695 1.00 0.59 H new ATOM 0 HD21 LEU A 33 0.146 -3.177 0.769 1.00 0.94 H new ATOM 0 HD22 LEU A 33 1.375 -4.252 1.478 1.00 0.94 H new ATOM 0 HD23 LEU A 33 0.330 -4.840 0.163 1.00 0.94 H new ATOM 505 N PRO A 34 -1.823 -8.773 3.362 1.00 0.50 N ATOM 506 CA PRO A 34 -2.807 -9.555 4.105 1.00 0.58 C ATOM 507 C PRO A 34 -3.733 -8.679 4.955 1.00 0.59 C ATOM 508 O PRO A 34 -4.874 -9.051 5.200 1.00 0.69 O ATOM 509 CB PRO A 34 -2.005 -10.552 4.943 1.00 0.71 C ATOM 510 CG PRO A 34 -0.618 -9.927 5.062 1.00 0.65 C ATOM 511 CD PRO A 34 -0.469 -9.060 3.813 1.00 0.54 C ATOM 0 HA PRO A 34 -3.485 -10.075 3.428 1.00 0.58 H new ATOM 0 HB2 PRO A 34 -2.458 -10.701 5.923 1.00 0.71 H new ATOM 0 HB3 PRO A 34 -1.960 -11.529 4.461 1.00 0.71 H new ATOM 0 HG2 PRO A 34 -0.530 -9.330 5.970 1.00 0.65 H new ATOM 0 HG3 PRO A 34 0.157 -10.692 5.107 1.00 0.65 H new ATOM 0 HD2 PRO A 34 0.071 -8.140 4.038 1.00 0.54 H new ATOM 0 HD3 PRO A 34 0.097 -9.581 3.041 1.00 0.54 H new ATOM 519 N CYS A 35 -3.286 -7.473 5.315 1.00 0.56 N ATOM 520 CA CYS A 35 -4.080 -6.423 5.956 1.00 0.67 C ATOM 521 C CYS A 35 -5.223 -5.918 5.032 1.00 0.80 C ATOM 522 O CYS A 35 -5.903 -4.953 5.363 1.00 1.37 O ATOM 523 CB CYS A 35 -3.064 -5.314 6.292 1.00 0.94 C ATOM 524 SG CYS A 35 -3.752 -3.839 7.095 1.00 1.57 S ATOM 0 H CYS A 35 -2.318 -7.190 5.161 1.00 0.56 H new ATOM 0 HA CYS A 35 -4.591 -6.782 6.849 1.00 0.67 H new ATOM 0 HB2 CYS A 35 -2.296 -5.734 6.941 1.00 0.94 H new ATOM 0 HB3 CYS A 35 -2.570 -5.007 5.370 1.00 0.94 H new ATOM 529 N MET A 36 -5.450 -6.523 3.858 1.00 0.63 N ATOM 530 CA MET A 36 -6.460 -6.103 2.887 1.00 0.76 C ATOM 531 C MET A 36 -6.339 -4.622 2.523 1.00 0.75 C ATOM 532 O MET A 36 -7.283 -3.990 2.049 1.00 1.15 O ATOM 533 CB MET A 36 -7.867 -6.486 3.365 1.00 0.99 C ATOM 534 CG MET A 36 -8.054 -8.007 3.337 1.00 2.30 C ATOM 535 SD MET A 36 -9.556 -8.522 2.458 1.00 3.23 S ATOM 536 CE MET A 36 -9.308 -10.314 2.439 1.00 5.19 C ATOM 0 H MET A 36 -4.920 -7.339 3.553 1.00 0.63 H new ATOM 0 HA MET A 36 -6.275 -6.645 1.960 1.00 0.76 H new ATOM 0 HB2 MET A 36 -8.026 -6.114 4.377 1.00 0.99 H new ATOM 0 HB3 MET A 36 -8.614 -6.011 2.729 1.00 0.99 H new ATOM 0 HG2 MET A 36 -7.187 -8.465 2.862 1.00 2.30 H new ATOM 0 HG3 MET A 36 -8.092 -8.382 4.360 1.00 2.30 H new ATOM 0 HE1 MET A 36 -10.146 -10.792 1.932 1.00 5.19 H new ATOM 0 HE2 MET A 36 -8.383 -10.548 1.911 1.00 5.19 H new ATOM 0 HE3 MET A 36 -9.245 -10.683 3.463 1.00 5.19 H new ATOM 546 N HIS A 37 -5.125 -4.089 2.611 1.00 0.63 N ATOM 547 CA HIS A 37 -4.821 -2.733 2.200 1.00 0.59 C ATOM 548 C HIS A 37 -4.418 -2.776 0.724 1.00 0.66 C ATOM 549 O HIS A 37 -3.800 -3.751 0.288 1.00 0.97 O ATOM 550 CB HIS A 37 -3.690 -2.203 3.093 1.00 0.61 C ATOM 551 CG HIS A 37 -4.046 -0.996 3.923 1.00 0.87 C ATOM 552 ND1 HIS A 37 -3.680 -0.802 5.258 1.00 1.12 N ATOM 553 CD2 HIS A 37 -4.688 0.123 3.469 1.00 1.24 C ATOM 554 CE1 HIS A 37 -4.125 0.421 5.583 1.00 1.62 C ATOM 555 NE2 HIS A 37 -4.732 1.002 4.529 1.00 1.69 N ATOM 0 H HIS A 37 -4.319 -4.597 2.975 1.00 0.63 H new ATOM 0 HA HIS A 37 -5.675 -2.064 2.307 1.00 0.59 H new ATOM 0 HB2 HIS A 37 -3.370 -3.003 3.761 1.00 0.61 H new ATOM 0 HB3 HIS A 37 -2.837 -1.953 2.463 1.00 0.61 H new ATOM 0 HD2 HIS A 37 -5.082 0.285 2.477 1.00 1.24 H new ATOM 0 HE1 HIS A 37 -4.012 0.877 6.555 1.00 1.62 H new ATOM 0 HE2 HIS A 37 -5.151 1.932 4.518 1.00 1.69 H new ATOM 563 N LEU A 38 -4.811 -1.768 -0.057 1.00 0.71 N ATOM 564 CA LEU A 38 -4.424 -1.604 -1.455 1.00 0.72 C ATOM 565 C LEU A 38 -3.292 -0.585 -1.458 1.00 0.59 C ATOM 566 O LEU A 38 -3.513 0.546 -1.032 1.00 0.63 O ATOM 567 CB LEU A 38 -5.634 -1.062 -2.237 1.00 0.94 C ATOM 568 CG LEU A 38 -5.320 -0.618 -3.677 1.00 0.98 C ATOM 569 CD1 LEU A 38 -5.016 -1.814 -4.580 1.00 1.65 C ATOM 570 CD2 LEU A 38 -6.526 0.136 -4.238 1.00 1.93 C ATOM 0 H LEU A 38 -5.424 -1.024 0.277 1.00 0.71 H new ATOM 0 HA LEU A 38 -4.107 -2.540 -1.916 1.00 0.72 H new ATOM 0 HB2 LEU A 38 -6.404 -1.832 -2.268 1.00 0.94 H new ATOM 0 HB3 LEU A 38 -6.052 -0.215 -1.693 1.00 0.94 H new ATOM 0 HG LEU A 38 -4.439 0.023 -3.653 1.00 0.98 H new ATOM 0 HD11 LEU A 38 -4.799 -1.462 -5.589 1.00 1.65 H new ATOM 0 HD12 LEU A 38 -4.153 -2.354 -4.190 1.00 1.65 H new ATOM 0 HD13 LEU A 38 -5.879 -2.479 -4.605 1.00 1.65 H new ATOM 0 HD21 LEU A 38 -6.313 0.455 -5.258 1.00 1.93 H new ATOM 0 HD22 LEU A 38 -7.397 -0.519 -4.237 1.00 1.93 H new ATOM 0 HD23 LEU A 38 -6.728 1.010 -3.619 1.00 1.93 H new ATOM 582 N PHE A 39 -2.086 -0.967 -1.884 1.00 0.61 N ATOM 583 CA PHE A 39 -0.932 -0.069 -1.895 1.00 0.62 C ATOM 584 C PHE A 39 -0.465 0.100 -3.344 1.00 0.60 C ATOM 585 O PHE A 39 -0.826 -0.697 -4.206 1.00 0.85 O ATOM 586 CB PHE A 39 0.212 -0.624 -1.017 1.00 0.79 C ATOM 587 CG PHE A 39 0.104 -0.505 0.500 1.00 0.84 C ATOM 588 CD1 PHE A 39 1.246 -0.786 1.270 1.00 2.42 C ATOM 589 CD2 PHE A 39 -1.068 -0.109 1.169 1.00 1.65 C ATOM 590 CE1 PHE A 39 1.231 -0.692 2.671 1.00 2.69 C ATOM 591 CE2 PHE A 39 -1.089 -0.008 2.568 1.00 1.52 C ATOM 592 CZ PHE A 39 0.059 -0.292 3.326 1.00 1.29 C ATOM 0 H PHE A 39 -1.883 -1.905 -2.230 1.00 0.61 H new ATOM 0 HA PHE A 39 -1.219 0.897 -1.480 1.00 0.62 H new ATOM 0 HB2 PHE A 39 0.328 -1.681 -1.257 1.00 0.79 H new ATOM 0 HB3 PHE A 39 1.132 -0.125 -1.322 1.00 0.79 H new ATOM 0 HD1 PHE A 39 2.157 -1.082 0.772 1.00 2.42 H new ATOM 0 HD2 PHE A 39 -1.958 0.119 0.602 1.00 1.65 H new ATOM 0 HE1 PHE A 39 2.118 -0.927 3.240 1.00 2.69 H new ATOM 0 HE2 PHE A 39 -1.998 0.292 3.068 1.00 1.52 H new ATOM 0 HZ PHE A 39 0.038 -0.203 4.402 1.00 1.29 H new ATOM 602 N HIS A 40 0.358 1.112 -3.629 1.00 0.54 N ATOM 603 CA HIS A 40 1.082 1.161 -4.900 1.00 0.51 C ATOM 604 C HIS A 40 2.144 0.073 -4.923 1.00 0.49 C ATOM 605 O HIS A 40 2.592 -0.380 -3.872 1.00 0.67 O ATOM 606 CB HIS A 40 1.842 2.476 -5.054 1.00 0.55 C ATOM 607 CG HIS A 40 1.101 3.619 -5.665 1.00 0.52 C ATOM 608 ND1 HIS A 40 1.046 4.877 -5.088 1.00 0.59 N ATOM 609 CD2 HIS A 40 0.555 3.661 -6.911 1.00 0.54 C ATOM 610 CE1 HIS A 40 0.445 5.670 -5.987 1.00 0.67 C ATOM 611 NE2 HIS A 40 0.133 4.960 -7.088 1.00 0.63 N ATOM 0 H HIS A 40 0.538 1.899 -3.005 1.00 0.54 H new ATOM 0 HA HIS A 40 0.343 1.043 -5.692 1.00 0.51 H new ATOM 0 HB2 HIS A 40 2.188 2.785 -4.068 1.00 0.55 H new ATOM 0 HB3 HIS A 40 2.729 2.286 -5.658 1.00 0.55 H new ATOM 0 HD2 HIS A 40 0.470 2.846 -7.614 1.00 0.54 H new ATOM 0 HE1 HIS A 40 0.241 6.722 -5.849 1.00 0.67 H new ATOM 0 HE2 HIS A 40 -0.338 5.324 -7.916 1.00 0.63 H new ATOM 619 N GLN A 41 2.629 -0.248 -6.121 1.00 0.40 N ATOM 620 CA GLN A 41 3.756 -1.138 -6.311 1.00 0.40 C ATOM 621 C GLN A 41 5.042 -0.517 -5.760 1.00 0.56 C ATOM 622 O GLN A 41 5.633 -1.069 -4.840 1.00 1.23 O ATOM 623 CB GLN A 41 3.856 -1.495 -7.796 1.00 0.53 C ATOM 624 CG GLN A 41 4.785 -2.694 -8.028 1.00 1.19 C ATOM 625 CD GLN A 41 4.292 -3.619 -9.142 1.00 1.08 C ATOM 626 OE1 GLN A 41 5.036 -3.958 -10.050 1.00 1.60 O ATOM 627 NE2 GLN A 41 3.047 -4.081 -9.079 1.00 1.12 N ATOM 0 H GLN A 41 2.241 0.111 -6.993 1.00 0.40 H new ATOM 0 HA GLN A 41 3.607 -2.060 -5.749 1.00 0.40 H new ATOM 0 HB2 GLN A 41 2.863 -1.723 -8.183 1.00 0.53 H new ATOM 0 HB3 GLN A 41 4.226 -0.634 -8.353 1.00 0.53 H new ATOM 0 HG2 GLN A 41 5.782 -2.332 -8.277 1.00 1.19 H new ATOM 0 HG3 GLN A 41 4.874 -3.263 -7.103 1.00 1.19 H new ATOM 0 HE21 GLN A 41 2.434 -3.792 -8.317 1.00 1.12 H new ATOM 0 HE22 GLN A 41 2.705 -4.725 -9.793 1.00 1.12 H new ATOM 636 N VAL A 42 5.486 0.627 -6.292 1.00 0.45 N ATOM 637 CA VAL A 42 6.754 1.222 -5.863 1.00 0.45 C ATOM 638 C VAL A 42 6.712 1.555 -4.370 1.00 0.42 C ATOM 639 O VAL A 42 7.660 1.256 -3.646 1.00 0.41 O ATOM 640 CB VAL A 42 7.110 2.451 -6.720 1.00 0.55 C ATOM 641 CG1 VAL A 42 8.501 2.987 -6.357 1.00 0.83 C ATOM 642 CG2 VAL A 42 7.122 2.090 -8.212 1.00 0.67 C ATOM 0 H VAL A 42 4.992 1.154 -7.012 1.00 0.45 H new ATOM 0 HA VAL A 42 7.548 0.491 -6.015 1.00 0.45 H new ATOM 0 HB VAL A 42 6.352 3.209 -6.522 1.00 0.55 H new ATOM 0 HG11 VAL A 42 8.729 3.855 -6.976 1.00 0.83 H new ATOM 0 HG12 VAL A 42 8.517 3.276 -5.306 1.00 0.83 H new ATOM 0 HG13 VAL A 42 9.247 2.211 -6.531 1.00 0.83 H new ATOM 0 HG21 VAL A 42 7.376 2.973 -8.798 1.00 0.67 H new ATOM 0 HG22 VAL A 42 7.862 1.310 -8.392 1.00 0.67 H new ATOM 0 HG23 VAL A 42 6.136 1.730 -8.507 1.00 0.67 H new ATOM 652 N CYS A 43 5.614 2.154 -3.889 1.00 0.47 N ATOM 653 CA CYS A 43 5.504 2.505 -2.481 1.00 0.50 C ATOM 654 C CYS A 43 5.669 1.241 -1.630 1.00 0.46 C ATOM 655 O CYS A 43 6.438 1.243 -0.670 1.00 0.44 O ATOM 656 CB CYS A 43 4.143 3.153 -2.190 1.00 0.55 C ATOM 657 SG CYS A 43 3.862 4.629 -3.219 1.00 0.63 S ATOM 0 H CYS A 43 4.801 2.400 -4.454 1.00 0.47 H new ATOM 0 HA CYS A 43 6.287 3.222 -2.233 1.00 0.50 H new ATOM 0 HB2 CYS A 43 3.349 2.428 -2.370 1.00 0.55 H new ATOM 0 HB3 CYS A 43 4.090 3.429 -1.137 1.00 0.55 H new ATOM 662 N VAL A 44 4.939 0.161 -1.938 1.00 0.46 N ATOM 663 CA VAL A 44 5.037 -1.026 -1.112 1.00 0.43 C ATOM 664 C VAL A 44 6.371 -1.736 -1.281 1.00 0.34 C ATOM 665 O VAL A 44 6.736 -2.520 -0.418 1.00 0.35 O ATOM 666 CB VAL A 44 3.867 -1.978 -1.332 1.00 0.60 C ATOM 667 CG1 VAL A 44 4.058 -2.899 -2.522 1.00 0.64 C ATOM 668 CG2 VAL A 44 3.696 -2.891 -0.124 1.00 0.75 C ATOM 0 H VAL A 44 4.297 0.093 -2.728 1.00 0.46 H new ATOM 0 HA VAL A 44 4.984 -0.685 -0.078 1.00 0.43 H new ATOM 0 HB VAL A 44 3.003 -1.335 -1.501 1.00 0.60 H new ATOM 0 HG11 VAL A 44 3.189 -3.550 -2.622 1.00 0.64 H new ATOM 0 HG12 VAL A 44 4.171 -2.304 -3.428 1.00 0.64 H new ATOM 0 HG13 VAL A 44 4.951 -3.506 -2.373 1.00 0.64 H new ATOM 0 HG21 VAL A 44 2.857 -3.566 -0.294 1.00 0.75 H new ATOM 0 HG22 VAL A 44 4.606 -3.473 0.024 1.00 0.75 H new ATOM 0 HG23 VAL A 44 3.503 -2.288 0.763 1.00 0.75 H new ATOM 678 N ASP A 45 7.081 -1.515 -2.383 1.00 0.36 N ATOM 679 CA ASP A 45 8.407 -2.082 -2.565 1.00 0.41 C ATOM 680 C ASP A 45 9.282 -1.557 -1.433 1.00 0.38 C ATOM 681 O ASP A 45 9.699 -2.302 -0.549 1.00 0.41 O ATOM 682 CB ASP A 45 8.959 -1.732 -3.954 1.00 0.51 C ATOM 683 CG ASP A 45 10.245 -2.488 -4.275 1.00 1.08 C ATOM 684 OD1 ASP A 45 10.801 -2.214 -5.361 1.00 2.04 O ATOM 685 OD2 ASP A 45 10.647 -3.333 -3.447 1.00 2.15 O ATOM 0 H ASP A 45 6.756 -0.945 -3.164 1.00 0.36 H new ATOM 0 HA ASP A 45 8.383 -3.171 -2.523 1.00 0.41 H new ATOM 0 HB2 ASP A 45 8.207 -1.962 -4.709 1.00 0.51 H new ATOM 0 HB3 ASP A 45 9.148 -0.660 -4.008 1.00 0.51 H new ATOM 690 N GLN A 46 9.473 -0.237 -1.375 1.00 0.37 N ATOM 691 CA GLN A 46 10.289 0.326 -0.311 1.00 0.42 C ATOM 692 C GLN A 46 9.691 0.087 1.073 1.00 0.39 C ATOM 693 O GLN A 46 10.436 0.004 2.046 1.00 0.46 O ATOM 694 CB GLN A 46 10.584 1.809 -0.553 1.00 0.50 C ATOM 695 CG GLN A 46 11.341 2.000 -1.873 1.00 0.58 C ATOM 696 CD GLN A 46 12.076 3.337 -1.907 1.00 1.65 C ATOM 697 OE1 GLN A 46 11.516 4.378 -1.590 1.00 3.03 O ATOM 698 NE2 GLN A 46 13.350 3.336 -2.283 1.00 1.96 N ATOM 0 H GLN A 46 9.085 0.439 -2.033 1.00 0.37 H new ATOM 0 HA GLN A 46 11.240 -0.206 -0.332 1.00 0.42 H new ATOM 0 HB2 GLN A 46 9.651 2.372 -0.578 1.00 0.50 H new ATOM 0 HB3 GLN A 46 11.174 2.207 0.272 1.00 0.50 H new ATOM 0 HG2 GLN A 46 12.055 1.187 -2.005 1.00 0.58 H new ATOM 0 HG3 GLN A 46 10.641 1.947 -2.706 1.00 0.58 H new ATOM 0 HE21 GLN A 46 13.804 2.461 -2.544 1.00 1.96 H new ATOM 0 HE22 GLN A 46 13.874 4.210 -2.310 1.00 1.96 H new ATOM 707 N ALA A 47 8.372 -0.059 1.190 1.00 0.34 N ATOM 708 CA ALA A 47 7.759 -0.420 2.456 1.00 0.36 C ATOM 709 C ALA A 47 8.267 -1.783 2.932 1.00 0.34 C ATOM 710 O ALA A 47 8.926 -1.872 3.959 1.00 0.41 O ATOM 711 CB ALA A 47 6.242 -0.425 2.293 1.00 0.39 C ATOM 0 H ALA A 47 7.713 0.068 0.422 1.00 0.34 H new ATOM 0 HA ALA A 47 8.032 0.313 3.215 1.00 0.36 H new ATOM 0 HB1 ALA A 47 5.775 -0.695 3.240 1.00 0.39 H new ATOM 0 HB2 ALA A 47 5.905 0.567 1.993 1.00 0.39 H new ATOM 0 HB3 ALA A 47 5.960 -1.150 1.530 1.00 0.39 H new ATOM 717 N LEU A 48 7.955 -2.840 2.187 1.00 0.32 N ATOM 718 CA LEU A 48 8.247 -4.230 2.490 1.00 0.36 C ATOM 719 C LEU A 48 9.742 -4.432 2.723 1.00 0.45 C ATOM 720 O LEU A 48 10.121 -5.076 3.700 1.00 0.54 O ATOM 721 CB LEU A 48 7.679 -5.091 1.349 1.00 0.42 C ATOM 722 CG LEU A 48 7.670 -6.602 1.632 1.00 0.55 C ATOM 723 CD1 LEU A 48 6.553 -7.264 0.817 1.00 0.87 C ATOM 724 CD2 LEU A 48 8.988 -7.283 1.247 1.00 0.78 C ATOM 0 H LEU A 48 7.460 -2.737 1.301 1.00 0.32 H new ATOM 0 HA LEU A 48 7.770 -4.539 3.420 1.00 0.36 H new ATOM 0 HB2 LEU A 48 6.659 -4.768 1.140 1.00 0.42 H new ATOM 0 HB3 LEU A 48 8.263 -4.907 0.447 1.00 0.42 H new ATOM 0 HG LEU A 48 7.518 -6.720 2.705 1.00 0.55 H new ATOM 0 HD11 LEU A 48 6.544 -8.336 1.015 1.00 0.87 H new ATOM 0 HD12 LEU A 48 5.592 -6.834 1.100 1.00 0.87 H new ATOM 0 HD13 LEU A 48 6.728 -7.093 -0.245 1.00 0.87 H new ATOM 0 HD21 LEU A 48 8.925 -8.348 1.468 1.00 0.78 H new ATOM 0 HD22 LEU A 48 9.172 -7.144 0.182 1.00 0.78 H new ATOM 0 HD23 LEU A 48 9.806 -6.842 1.817 1.00 0.78 H new ATOM 736 N ILE A 49 10.603 -3.897 1.849 1.00 0.47 N ATOM 737 CA ILE A 49 12.041 -4.008 2.059 1.00 0.59 C ATOM 738 C ILE A 49 12.464 -3.290 3.339 1.00 0.62 C ATOM 739 O ILE A 49 13.375 -3.757 4.016 1.00 0.73 O ATOM 740 CB ILE A 49 12.856 -3.545 0.838 1.00 0.65 C ATOM 741 CG1 ILE A 49 12.891 -2.023 0.653 1.00 0.62 C ATOM 742 CG2 ILE A 49 12.397 -4.269 -0.436 1.00 0.66 C ATOM 743 CD1 ILE A 49 14.117 -1.372 1.304 1.00 0.73 C ATOM 0 H ILE A 49 10.330 -3.392 1.006 1.00 0.47 H new ATOM 0 HA ILE A 49 12.266 -5.067 2.183 1.00 0.59 H new ATOM 0 HB ILE A 49 13.889 -3.827 1.039 1.00 0.65 H new ATOM 0 HG12 ILE A 49 12.885 -1.791 -0.412 1.00 0.62 H new ATOM 0 HG13 ILE A 49 11.986 -1.589 1.079 1.00 0.62 H new ATOM 0 HG21 ILE A 49 12.989 -3.924 -1.284 1.00 0.66 H new ATOM 0 HG22 ILE A 49 12.532 -5.344 -0.313 1.00 0.66 H new ATOM 0 HG23 ILE A 49 11.344 -4.054 -0.617 1.00 0.66 H new ATOM 0 HD11 ILE A 49 14.087 -0.295 1.140 1.00 0.73 H new ATOM 0 HD12 ILE A 49 14.112 -1.576 2.375 1.00 0.73 H new ATOM 0 HD13 ILE A 49 15.025 -1.781 0.861 1.00 0.73 H new ATOM 755 N THR A 50 11.830 -2.163 3.682 1.00 0.56 N ATOM 756 CA THR A 50 12.148 -1.476 4.923 1.00 0.63 C ATOM 757 C THR A 50 11.784 -2.381 6.101 1.00 0.67 C ATOM 758 O THR A 50 12.538 -2.504 7.068 1.00 0.76 O ATOM 759 CB THR A 50 11.443 -0.110 4.985 1.00 0.63 C ATOM 760 OG1 THR A 50 12.133 0.785 4.142 1.00 0.65 O ATOM 761 CG2 THR A 50 11.412 0.505 6.385 1.00 0.76 C ATOM 0 H THR A 50 11.104 -1.718 3.121 1.00 0.56 H new ATOM 0 HA THR A 50 13.217 -1.270 4.973 1.00 0.63 H new ATOM 0 HB THR A 50 10.411 -0.276 4.677 1.00 0.63 H new ATOM 0 HG1 THR A 50 11.737 0.761 3.246 1.00 0.65 H new ATOM 0 HG21 THR A 50 10.899 1.466 6.349 1.00 0.76 H new ATOM 0 HG22 THR A 50 10.883 -0.163 7.064 1.00 0.76 H new ATOM 0 HG23 THR A 50 12.432 0.651 6.741 1.00 0.76 H new ATOM 769 N ASN A 51 10.604 -2.999 6.053 1.00 0.64 N ATOM 770 CA ASN A 51 10.157 -3.948 7.052 1.00 0.71 C ATOM 771 C ASN A 51 8.911 -4.639 6.506 1.00 0.63 C ATOM 772 O ASN A 51 8.051 -3.970 5.935 1.00 0.69 O ATOM 773 CB ASN A 51 9.825 -3.196 8.348 1.00 0.82 C ATOM 774 CG ASN A 51 10.251 -4.016 9.550 1.00 1.78 C ATOM 775 OD1 ASN A 51 9.524 -4.883 10.014 1.00 2.72 O ATOM 776 ND2 ASN A 51 11.425 -3.729 10.093 1.00 2.50 N ATOM 0 H ASN A 51 9.928 -2.847 5.305 1.00 0.64 H new ATOM 0 HA ASN A 51 10.929 -4.686 7.268 1.00 0.71 H new ATOM 0 HB2 ASN A 51 10.332 -2.231 8.358 1.00 0.82 H new ATOM 0 HB3 ASN A 51 8.755 -2.994 8.397 1.00 0.82 H new ATOM 0 HD21 ASN A 51 11.743 -4.236 10.919 1.00 2.50 H new ATOM 0 HD22 ASN A 51 12.011 -3.001 9.685 1.00 2.50 H new ATOM 783 N LYS A 52 8.756 -5.953 6.684 1.00 0.60 N ATOM 784 CA LYS A 52 7.572 -6.633 6.164 1.00 0.53 C ATOM 785 C LYS A 52 6.412 -6.485 7.140 1.00 0.57 C ATOM 786 O LYS A 52 5.897 -7.471 7.646 1.00 1.36 O ATOM 787 CB LYS A 52 7.852 -8.116 5.893 1.00 0.61 C ATOM 788 CG LYS A 52 8.958 -8.360 4.859 1.00 1.75 C ATOM 789 CD LYS A 52 10.301 -8.678 5.519 1.00 1.74 C ATOM 790 CE LYS A 52 11.260 -9.213 4.452 1.00 3.09 C ATOM 791 NZ LYS A 52 12.404 -9.917 5.065 1.00 3.67 N ATOM 0 H LYS A 52 9.419 -6.554 7.173 1.00 0.60 H new ATOM 0 HA LYS A 52 7.305 -6.165 5.216 1.00 0.53 H new ATOM 0 HB2 LYS A 52 8.130 -8.600 6.829 1.00 0.61 H new ATOM 0 HB3 LYS A 52 6.934 -8.592 5.548 1.00 0.61 H new ATOM 0 HG2 LYS A 52 8.670 -9.185 4.208 1.00 1.75 H new ATOM 0 HG3 LYS A 52 9.064 -7.478 4.227 1.00 1.75 H new ATOM 0 HD2 LYS A 52 10.715 -7.783 5.984 1.00 1.74 H new ATOM 0 HD3 LYS A 52 10.167 -9.415 6.311 1.00 1.74 H new ATOM 0 HE2 LYS A 52 10.726 -9.892 3.787 1.00 3.09 H new ATOM 0 HE3 LYS A 52 11.624 -8.388 3.840 1.00 3.09 H new ATOM 0 HZ1 LYS A 52 13.154 -10.044 4.356 1.00 3.67 H new ATOM 0 HZ2 LYS A 52 12.771 -9.356 5.860 1.00 3.67 H new ATOM 0 HZ3 LYS A 52 12.094 -10.847 5.411 1.00 3.67 H new ATOM 805 N LYS A 53 5.936 -5.271 7.379 1.00 0.59 N ATOM 806 CA LYS A 53 4.760 -5.069 8.204 1.00 0.59 C ATOM 807 C LYS A 53 4.076 -3.810 7.712 1.00 0.64 C ATOM 808 O LYS A 53 4.757 -2.861 7.325 1.00 0.88 O ATOM 809 CB LYS A 53 5.149 -5.015 9.691 1.00 0.82 C ATOM 810 CG LYS A 53 6.273 -4.017 9.993 1.00 1.69 C ATOM 811 CD LYS A 53 6.745 -4.165 11.441 1.00 2.09 C ATOM 812 CE LYS A 53 7.755 -3.059 11.754 1.00 3.07 C ATOM 813 NZ LYS A 53 8.300 -3.184 13.121 1.00 3.64 N ATOM 0 H LYS A 53 6.348 -4.413 7.012 1.00 0.59 H new ATOM 0 HA LYS A 53 4.060 -5.900 8.120 1.00 0.59 H new ATOM 0 HB2 LYS A 53 4.270 -4.749 10.279 1.00 0.82 H new ATOM 0 HB3 LYS A 53 5.460 -6.009 10.013 1.00 0.82 H new ATOM 0 HG2 LYS A 53 7.108 -4.184 9.313 1.00 1.69 H new ATOM 0 HG3 LYS A 53 5.920 -3.000 9.821 1.00 1.69 H new ATOM 0 HD2 LYS A 53 5.896 -4.102 12.122 1.00 2.09 H new ATOM 0 HD3 LYS A 53 7.201 -5.144 11.590 1.00 2.09 H new ATOM 0 HE2 LYS A 53 8.571 -3.097 11.033 1.00 3.07 H new ATOM 0 HE3 LYS A 53 7.276 -2.087 11.641 1.00 3.07 H new ATOM 0 HZ1 LYS A 53 8.980 -2.417 13.295 1.00 3.64 H new ATOM 0 HZ2 LYS A 53 7.524 -3.122 13.811 1.00 3.64 H new ATOM 0 HZ3 LYS A 53 8.780 -4.101 13.221 1.00 3.64 H new ATOM 827 N CYS A 54 2.744 -3.810 7.678 1.00 0.57 N ATOM 828 CA CYS A 54 1.988 -2.654 7.225 1.00 0.67 C ATOM 829 C CYS A 54 2.385 -1.497 8.152 1.00 0.82 C ATOM 830 O CYS A 54 2.285 -1.653 9.368 1.00 0.84 O ATOM 831 CB CYS A 54 0.491 -2.979 7.351 1.00 0.78 C ATOM 832 SG CYS A 54 -0.567 -1.591 6.822 1.00 1.12 S ATOM 0 H CYS A 54 2.169 -4.603 7.961 1.00 0.57 H new ATOM 0 HA CYS A 54 2.191 -2.391 6.187 1.00 0.67 H new ATOM 0 HB2 CYS A 54 0.261 -3.858 6.749 1.00 0.78 H new ATOM 0 HB3 CYS A 54 0.263 -3.233 8.386 1.00 0.78 H new ATOM 837 N PRO A 55 2.822 -0.338 7.637 1.00 1.05 N ATOM 838 CA PRO A 55 3.302 0.743 8.482 1.00 1.30 C ATOM 839 C PRO A 55 2.196 1.351 9.351 1.00 1.53 C ATOM 840 O PRO A 55 2.498 2.087 10.285 1.00 2.51 O ATOM 841 CB PRO A 55 3.943 1.761 7.531 1.00 1.57 C ATOM 842 CG PRO A 55 3.313 1.462 6.170 1.00 1.57 C ATOM 843 CD PRO A 55 3.009 -0.033 6.231 1.00 1.20 C ATOM 0 HA PRO A 55 4.028 0.380 9.209 1.00 1.30 H new ATOM 0 HB2 PRO A 55 3.738 2.784 7.847 1.00 1.57 H new ATOM 0 HB3 PRO A 55 5.027 1.648 7.500 1.00 1.57 H new ATOM 0 HG2 PRO A 55 2.408 2.048 6.010 1.00 1.57 H new ATOM 0 HG3 PRO A 55 3.994 1.699 5.353 1.00 1.57 H new ATOM 0 HD2 PRO A 55 2.115 -0.275 5.656 1.00 1.20 H new ATOM 0 HD3 PRO A 55 3.827 -0.617 5.809 1.00 1.20 H new ATOM 851 N ILE A 56 0.925 1.051 9.061 1.00 1.29 N ATOM 852 CA ILE A 56 -0.204 1.487 9.868 1.00 1.40 C ATOM 853 C ILE A 56 -0.619 0.302 10.741 1.00 1.55 C ATOM 854 O ILE A 56 -0.499 0.349 11.961 1.00 2.82 O ATOM 855 CB ILE A 56 -1.345 1.999 8.961 1.00 1.54 C ATOM 856 CG1 ILE A 56 -1.006 3.339 8.275 1.00 2.48 C ATOM 857 CG2 ILE A 56 -2.634 2.231 9.766 1.00 2.01 C ATOM 858 CD1 ILE A 56 0.122 3.258 7.245 1.00 4.03 C ATOM 0 H ILE A 56 0.656 0.493 8.250 1.00 1.29 H new ATOM 0 HA ILE A 56 0.060 2.326 10.512 1.00 1.40 H new ATOM 0 HB ILE A 56 -1.480 1.222 8.209 1.00 1.54 H new ATOM 0 HG12 ILE A 56 -1.902 3.718 7.784 1.00 2.48 H new ATOM 0 HG13 ILE A 56 -0.731 4.065 9.040 1.00 2.48 H new ATOM 0 HG21 ILE A 56 -3.419 2.591 9.101 1.00 2.01 H new ATOM 0 HG22 ILE A 56 -2.949 1.294 10.226 1.00 2.01 H new ATOM 0 HG23 ILE A 56 -2.449 2.972 10.543 1.00 2.01 H new ATOM 0 HD11 ILE A 56 0.292 4.244 6.814 1.00 4.03 H new ATOM 0 HD12 ILE A 56 1.034 2.912 7.731 1.00 4.03 H new ATOM 0 HD13 ILE A 56 -0.156 2.560 6.455 1.00 4.03 H new ATOM 870 N CYS A 57 -1.106 -0.769 10.111 1.00 1.09 N ATOM 871 CA CYS A 57 -1.783 -1.862 10.797 1.00 1.02 C ATOM 872 C CYS A 57 -0.803 -2.702 11.624 1.00 1.05 C ATOM 873 O CYS A 57 -1.232 -3.520 12.431 1.00 1.90 O ATOM 874 CB CYS A 57 -2.459 -2.765 9.754 1.00 0.98 C ATOM 875 SG CYS A 57 -3.309 -1.767 8.494 1.00 1.45 S ATOM 0 H CYS A 57 -1.039 -0.899 9.102 1.00 1.09 H new ATOM 0 HA CYS A 57 -2.521 -1.433 11.475 1.00 1.02 H new ATOM 0 HB2 CYS A 57 -1.713 -3.401 9.278 1.00 0.98 H new ATOM 0 HB3 CYS A 57 -3.174 -3.425 10.246 1.00 0.98 H new ATOM 880 N ARG A 58 0.507 -2.568 11.385 1.00 1.23 N ATOM 881 CA ARG A 58 1.589 -3.281 12.064 1.00 1.18 C ATOM 882 C ARG A 58 1.605 -4.802 11.864 1.00 1.14 C ATOM 883 O ARG A 58 2.576 -5.434 12.272 1.00 1.67 O ATOM 884 CB ARG A 58 1.633 -2.885 13.551 1.00 1.39 C ATOM 885 CG ARG A 58 2.600 -1.722 13.790 1.00 2.28 C ATOM 886 CD ARG A 58 2.453 -1.253 15.242 1.00 2.71 C ATOM 887 NE ARG A 58 3.667 -0.588 15.737 1.00 3.29 N ATOM 888 CZ ARG A 58 3.931 -0.372 17.033 1.00 3.74 C ATOM 889 NH1 ARG A 58 5.121 0.100 17.409 1.00 4.47 N ATOM 890 NH2 ARG A 58 3.003 -0.634 17.954 1.00 3.94 N ATOM 0 H ARG A 58 0.856 -1.925 10.675 1.00 1.23 H new ATOM 0 HA ARG A 58 2.509 -2.957 11.577 1.00 1.18 H new ATOM 0 HB2 ARG A 58 0.634 -2.604 13.884 1.00 1.39 H new ATOM 0 HB3 ARG A 58 1.939 -3.743 14.149 1.00 1.39 H new ATOM 0 HG2 ARG A 58 3.625 -2.037 13.596 1.00 2.28 H new ATOM 0 HG3 ARG A 58 2.383 -0.903 13.104 1.00 2.28 H new ATOM 0 HD2 ARG A 58 1.609 -0.567 15.317 1.00 2.71 H new ATOM 0 HD3 ARG A 58 2.225 -2.109 15.877 1.00 2.71 H new ATOM 0 HE ARG A 58 4.352 -0.271 15.051 1.00 3.29 H new ATOM 0 HH11 ARG A 58 5.835 0.298 16.709 1.00 4.47 H new ATOM 0 HH12 ARG A 58 5.316 0.262 18.397 1.00 4.47 H new ATOM 0 HH21 ARG A 58 2.093 -0.999 17.672 1.00 3.94 H new ATOM 0 HH22 ARG A 58 3.203 -0.470 18.941 1.00 3.94 H new ATOM 904 N VAL A 59 0.593 -5.401 11.235 1.00 0.82 N ATOM 905 CA VAL A 59 0.580 -6.830 10.952 1.00 0.78 C ATOM 906 C VAL A 59 1.679 -7.149 9.936 1.00 0.67 C ATOM 907 O VAL A 59 1.974 -6.335 9.057 1.00 0.59 O ATOM 908 CB VAL A 59 -0.811 -7.249 10.442 1.00 0.76 C ATOM 909 CG1 VAL A 59 -0.918 -8.761 10.222 1.00 1.26 C ATOM 910 CG2 VAL A 59 -1.906 -6.869 11.448 1.00 1.46 C ATOM 0 H VAL A 59 -0.238 -4.907 10.909 1.00 0.82 H new ATOM 0 HA VAL A 59 0.780 -7.398 11.861 1.00 0.78 H new ATOM 0 HB VAL A 59 -0.946 -6.725 9.496 1.00 0.76 H new ATOM 0 HG11 VAL A 59 -1.917 -9.007 9.862 1.00 1.26 H new ATOM 0 HG12 VAL A 59 -0.180 -9.074 9.484 1.00 1.26 H new ATOM 0 HG13 VAL A 59 -0.733 -9.280 11.163 1.00 1.26 H new ATOM 0 HG21 VAL A 59 -2.878 -7.177 11.062 1.00 1.46 H new ATOM 0 HG22 VAL A 59 -1.718 -7.370 12.397 1.00 1.46 H new ATOM 0 HG23 VAL A 59 -1.901 -5.790 11.600 1.00 1.46 H new ATOM 920 N ASP A 60 2.274 -8.335 10.065 1.00 0.69 N ATOM 921 CA ASP A 60 3.262 -8.875 9.138 1.00 0.60 C ATOM 922 C ASP A 60 2.624 -9.118 7.770 1.00 0.58 C ATOM 923 O ASP A 60 1.433 -9.407 7.671 1.00 0.69 O ATOM 924 CB ASP A 60 3.815 -10.188 9.706 1.00 0.73 C ATOM 925 CG ASP A 60 4.718 -10.939 8.726 1.00 0.99 C ATOM 926 OD1 ASP A 60 5.484 -10.266 8.003 1.00 1.34 O ATOM 927 OD2 ASP A 60 4.613 -12.182 8.707 1.00 2.30 O ATOM 0 H ASP A 60 2.074 -8.964 10.843 1.00 0.69 H new ATOM 0 HA ASP A 60 4.076 -8.160 9.015 1.00 0.60 H new ATOM 0 HB2 ASP A 60 4.376 -9.974 10.616 1.00 0.73 H new ATOM 0 HB3 ASP A 60 2.983 -10.832 9.989 1.00 0.73 H new ATOM 932 N ILE A 61 3.418 -9.006 6.708 1.00 0.51 N ATOM 933 CA ILE A 61 2.990 -9.278 5.348 1.00 0.52 C ATOM 934 C ILE A 61 3.886 -10.274 4.606 1.00 0.61 C ATOM 935 O ILE A 61 3.542 -10.683 3.497 1.00 0.66 O ATOM 936 CB ILE A 61 2.907 -7.962 4.588 1.00 0.47 C ATOM 937 CG1 ILE A 61 4.319 -7.437 4.303 1.00 0.49 C ATOM 938 CG2 ILE A 61 2.071 -6.921 5.350 1.00 0.40 C ATOM 939 CD1 ILE A 61 4.228 -6.106 3.595 1.00 0.46 C ATOM 0 H ILE A 61 4.394 -8.718 6.775 1.00 0.51 H new ATOM 0 HA ILE A 61 2.011 -9.754 5.404 1.00 0.52 H new ATOM 0 HB ILE A 61 2.401 -8.144 3.640 1.00 0.47 H new ATOM 0 HG12 ILE A 61 4.873 -7.328 5.235 1.00 0.49 H new ATOM 0 HG13 ILE A 61 4.867 -8.151 3.688 1.00 0.49 H new ATOM 0 HG21 ILE A 61 2.034 -5.994 4.777 1.00 0.40 H new ATOM 0 HG22 ILE A 61 1.059 -7.300 5.492 1.00 0.40 H new ATOM 0 HG23 ILE A 61 2.526 -6.729 6.321 1.00 0.40 H new ATOM 0 HD11 ILE A 61 5.232 -5.732 3.392 1.00 0.46 H new ATOM 0 HD12 ILE A 61 3.690 -6.230 2.655 1.00 0.46 H new ATOM 0 HD13 ILE A 61 3.696 -5.394 4.226 1.00 0.46 H new ATOM 951 N GLU A 62 5.056 -10.602 5.155 1.00 0.65 N ATOM 952 CA GLU A 62 5.990 -11.548 4.557 1.00 0.72 C ATOM 953 C GLU A 62 5.297 -12.873 4.222 1.00 0.76 C ATOM 954 O GLU A 62 4.600 -13.463 5.043 1.00 1.59 O ATOM 955 CB GLU A 62 7.189 -11.779 5.487 1.00 0.78 C ATOM 956 CG GLU A 62 8.315 -12.485 4.723 1.00 0.95 C ATOM 957 CD GLU A 62 9.583 -12.621 5.565 1.00 1.55 C ATOM 958 OE1 GLU A 62 9.600 -13.496 6.457 1.00 2.47 O ATOM 959 OE2 GLU A 62 10.540 -11.858 5.289 1.00 2.49 O ATOM 0 H GLU A 62 5.383 -10.211 6.039 1.00 0.65 H new ATOM 0 HA GLU A 62 6.355 -11.119 3.624 1.00 0.72 H new ATOM 0 HB2 GLU A 62 7.545 -10.826 5.878 1.00 0.78 H new ATOM 0 HB3 GLU A 62 6.885 -12.382 6.343 1.00 0.78 H new ATOM 0 HG2 GLU A 62 7.978 -13.474 4.414 1.00 0.95 H new ATOM 0 HG3 GLU A 62 8.542 -11.927 3.815 1.00 0.95 H new ATOM 966 N ALA A 63 5.486 -13.367 2.997 1.00 1.31 N ATOM 967 CA ALA A 63 4.833 -14.590 2.571 1.00 1.48 C ATOM 968 C ALA A 63 5.694 -15.796 2.939 1.00 2.23 C ATOM 969 O ALA A 63 6.371 -16.365 2.085 1.00 3.18 O ATOM 970 CB ALA A 63 4.571 -14.530 1.067 1.00 2.38 C ATOM 0 H ALA A 63 6.084 -12.936 2.291 1.00 1.31 H new ATOM 0 HA ALA A 63 3.876 -14.695 3.082 1.00 1.48 H new ATOM 0 HB1 ALA A 63 4.080 -15.449 0.746 1.00 2.38 H new ATOM 0 HB2 ALA A 63 3.929 -13.678 0.843 1.00 2.38 H new ATOM 0 HB3 ALA A 63 5.517 -14.420 0.537 1.00 2.38 H new ATOM 976 N GLN A 64 5.658 -16.201 4.205 1.00 2.92 N ATOM 977 CA GLN A 64 6.321 -17.413 4.664 1.00 4.06 C ATOM 978 C GLN A 64 5.576 -17.936 5.895 1.00 5.43 C ATOM 979 O GLN A 64 5.003 -17.144 6.637 1.00 6.61 O ATOM 980 CB GLN A 64 7.784 -17.097 5.021 1.00 5.87 C ATOM 981 CG GLN A 64 8.739 -18.237 4.642 1.00 6.80 C ATOM 982 CD GLN A 64 9.360 -18.051 3.263 1.00 7.61 C ATOM 983 OE1 GLN A 64 9.118 -18.831 2.350 1.00 7.68 O ATOM 984 NE2 GLN A 64 10.202 -17.038 3.098 1.00 8.80 N ATOM 0 H GLN A 64 5.166 -15.695 4.942 1.00 2.92 H new ATOM 0 HA GLN A 64 6.311 -18.170 3.880 1.00 4.06 H new ATOM 0 HB2 GLN A 64 8.091 -16.185 4.510 1.00 5.87 H new ATOM 0 HB3 GLN A 64 7.860 -16.904 6.091 1.00 5.87 H new ATOM 0 HG2 GLN A 64 9.532 -18.304 5.387 1.00 6.80 H new ATOM 0 HG3 GLN A 64 8.197 -19.183 4.667 1.00 6.80 H new ATOM 0 HE21 GLN A 64 10.390 -16.400 3.871 1.00 8.80 H new ATOM 0 HE22 GLN A 64 10.661 -16.898 2.198 1.00 8.80 H new ATOM 993 N LEU A 65 5.590 -19.252 6.140 1.00 6.11 N ATOM 994 CA LEU A 65 5.183 -19.778 7.443 1.00 8.12 C ATOM 995 C LEU A 65 6.301 -19.584 8.474 1.00 8.92 C ATOM 996 O LEU A 65 6.061 -18.960 9.504 1.00 9.83 O ATOM 997 CB LEU A 65 4.757 -21.260 7.386 1.00 9.33 C ATOM 998 CG LEU A 65 3.238 -21.444 7.537 1.00 10.76 C ATOM 999 CD1 LEU A 65 2.554 -21.426 6.169 1.00 10.34 C ATOM 1000 CD2 LEU A 65 2.938 -22.773 8.236 1.00 12.82 C ATOM 0 H LEU A 65 5.874 -19.960 5.463 1.00 6.11 H new ATOM 0 HA LEU A 65 4.305 -19.209 7.749 1.00 8.12 H new ATOM 0 HB2 LEU A 65 5.079 -21.691 6.438 1.00 9.33 H new ATOM 0 HB3 LEU A 65 5.267 -21.811 8.176 1.00 9.33 H new ATOM 0 HG LEU A 65 2.852 -20.620 8.137 1.00 10.76 H new ATOM 0 HD11 LEU A 65 1.480 -21.558 6.298 1.00 10.34 H new ATOM 0 HD12 LEU A 65 2.746 -20.472 5.678 1.00 10.34 H new ATOM 0 HD13 LEU A 65 2.948 -22.236 5.555 1.00 10.34 H new ATOM 0 HD21 LEU A 65 1.860 -22.895 8.339 1.00 12.82 H new ATOM 0 HD22 LEU A 65 3.341 -23.595 7.644 1.00 12.82 H new ATOM 0 HD23 LEU A 65 3.399 -22.777 9.224 1.00 12.82 H new ATOM 1012 N PRO A 66 7.496 -20.165 8.276 1.00 9.02 N ATOM 1013 CA PRO A 66 8.545 -20.127 9.281 1.00 10.13 C ATOM 1014 C PRO A 66 9.235 -18.761 9.302 1.00 10.33 C ATOM 1015 O PRO A 66 10.323 -18.603 8.752 1.00 10.18 O ATOM 1016 CB PRO A 66 9.503 -21.261 8.902 1.00 10.50 C ATOM 1017 CG PRO A 66 9.377 -21.312 7.382 1.00 9.49 C ATOM 1018 CD PRO A 66 7.889 -21.034 7.178 1.00 8.62 C ATOM 0 HA PRO A 66 8.158 -20.265 10.291 1.00 10.13 H new ATOM 0 HB2 PRO A 66 10.525 -21.050 9.217 1.00 10.50 H new ATOM 0 HB3 PRO A 66 9.216 -22.205 9.364 1.00 10.50 H new ATOM 0 HG2 PRO A 66 10.002 -20.564 6.895 1.00 9.49 H new ATOM 0 HG3 PRO A 66 9.670 -22.282 6.980 1.00 9.49 H new ATOM 0 HD2 PRO A 66 7.709 -20.555 6.216 1.00 8.62 H new ATOM 0 HD3 PRO A 66 7.313 -21.959 7.186 1.00 8.62 H new ATOM 1026 N SER A 67 8.633 -17.807 10.008 1.00 11.13 N ATOM 1027 CA SER A 67 9.229 -16.522 10.322 1.00 11.86 C ATOM 1028 C SER A 67 8.987 -16.290 11.808 1.00 13.10 C ATOM 1029 O SER A 67 7.848 -16.386 12.263 1.00 13.81 O ATOM 1030 CB SER A 67 8.601 -15.425 9.456 1.00 12.27 C ATOM 1031 OG SER A 67 8.880 -15.697 8.096 1.00 11.88 O ATOM 0 H SER A 67 7.691 -17.915 10.385 1.00 11.13 H new ATOM 0 HA SER A 67 10.298 -16.503 10.110 1.00 11.86 H new ATOM 0 HB2 SER A 67 7.524 -15.387 9.619 1.00 12.27 H new ATOM 0 HB3 SER A 67 9.001 -14.450 9.735 1.00 12.27 H new ATOM 0 HG SER A 67 9.113 -14.863 7.637 1.00 11.88 H new ATOM 1037 N GLU A 68 10.054 -16.064 12.577 1.00 13.62 N ATOM 1038 CA GLU A 68 9.942 -15.770 13.999 1.00 14.95 C ATOM 1039 C GLU A 68 9.933 -14.246 14.173 1.00 15.28 C ATOM 1040 O GLU A 68 9.707 -13.524 13.200 1.00 14.75 O ATOM 1041 CB GLU A 68 11.073 -16.490 14.762 1.00 15.72 C ATOM 1042 CG GLU A 68 10.636 -16.953 16.163 1.00 17.10 C ATOM 1043 CD GLU A 68 11.466 -16.329 17.284 1.00 18.16 C ATOM 1044 OE1 GLU A 68 11.019 -15.272 17.783 1.00 18.85 O ATOM 1045 OE2 GLU A 68 12.511 -16.921 17.632 1.00 18.50 O ATOM 0 H GLU A 68 11.013 -16.080 12.230 1.00 13.62 H new ATOM 0 HA GLU A 68 9.012 -16.146 14.425 1.00 14.95 H new ATOM 0 HB2 GLU A 68 11.405 -17.353 14.185 1.00 15.72 H new ATOM 0 HB3 GLU A 68 11.928 -15.821 14.854 1.00 15.72 H new ATOM 0 HG2 GLU A 68 9.586 -16.700 16.312 1.00 17.10 H new ATOM 0 HG3 GLU A 68 10.714 -18.039 16.222 1.00 17.10 H new ATOM 1052 N SER A 69 10.113 -13.745 15.397 1.00 16.33 N ATOM 1053 CA SER A 69 10.116 -12.315 15.658 1.00 16.80 C ATOM 1054 C SER A 69 11.499 -11.714 15.392 1.00 16.31 C ATOM 1055 O SER A 69 12.402 -12.447 14.933 1.00 15.76 O ATOM 1056 CB SER A 69 9.677 -12.088 17.109 1.00 18.43 C ATOM 1057 OG SER A 69 9.430 -10.714 17.335 1.00 18.88 O ATOM 1058 OXT SER A 69 11.623 -10.504 15.692 1.00 16.74 O ATOM 0 H SER A 69 10.259 -14.320 16.227 1.00 16.33 H new ATOM 0 HA SER A 69 9.420 -11.813 14.986 1.00 16.80 H new ATOM 0 HB2 SER A 69 8.777 -12.666 17.319 1.00 18.43 H new ATOM 0 HB3 SER A 69 10.450 -12.443 17.790 1.00 18.43 H new ATOM 0 HG SER A 69 10.094 -10.179 16.853 1.00 18.88 H new TER 1064 SER A 69 HETATM 1065 ZN ZN A 101 1.838 5.357 -3.250 1.00 0.71 ZN HETATM 1066 ZN ZN A 102 -2.639 -2.149 6.539 1.00 1.06 ZN