USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0 (180deg=-0.00278) USER MOD Single : A 2 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.101) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0821 USER MOD Single : A 13 THR OG1 : rot -52:sc= 0.418 USER MOD Single : A 16 LYS NZ :NH3+ -120:sc= 2.31 (180deg=-0.532) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 95:sc= 0.00848 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.63 K(o=0.63,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 THR OG1 : rot -49:sc= 0.493 USER MOD Single : A 51 ASN : amide:sc= -0.478 K(o=-0.48,f=-5.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.8!) USER MOD Single : A 67 SER OG : rot -159:sc= 0.0558 USER MOD Single : A 69 SER OG : rot 51:sc= 0.0978 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.915 -28.074 -5.301 1.00 21.79 N ATOM 2 CA MET A 1 36.855 -28.514 -3.895 1.00 21.32 C ATOM 3 C MET A 1 35.399 -28.669 -3.490 1.00 20.07 C ATOM 4 O MET A 1 34.817 -29.684 -3.849 1.00 19.86 O ATOM 5 CB MET A 1 37.677 -27.617 -2.960 1.00 22.20 C ATOM 6 CG MET A 1 39.147 -28.037 -3.047 1.00 23.44 C ATOM 7 SD MET A 1 40.289 -27.054 -2.044 1.00 24.72 S ATOM 8 CE MET A 1 40.382 -25.547 -3.045 1.00 25.90 C ATOM 0 H1 MET A 1 37.908 -28.014 -5.604 1.00 21.79 H new ATOM 0 H2 MET A 1 36.411 -28.758 -5.901 1.00 21.79 H new ATOM 0 H3 MET A 1 36.468 -27.139 -5.392 1.00 21.79 H new ATOM 0 HA MET A 1 37.332 -29.489 -3.798 1.00 21.32 H new ATOM 0 HB2 MET A 1 37.565 -26.571 -3.245 1.00 22.20 H new ATOM 0 HB3 MET A 1 37.317 -27.709 -1.935 1.00 22.20 H new ATOM 0 HG2 MET A 1 39.229 -29.081 -2.744 1.00 23.44 H new ATOM 0 HG3 MET A 1 39.463 -27.982 -4.089 1.00 23.44 H new ATOM 0 HE1 MET A 1 41.050 -24.832 -2.565 1.00 25.90 H new ATOM 0 HE2 MET A 1 40.764 -25.792 -4.036 1.00 25.90 H new ATOM 0 HE3 MET A 1 39.388 -25.110 -3.137 1.00 25.90 H new ATOM 20 N LYS A 2 34.784 -27.700 -2.805 1.00 19.41 N ATOM 21 CA LYS A 2 33.408 -27.849 -2.354 1.00 18.38 C ATOM 22 C LYS A 2 32.737 -26.485 -2.416 1.00 17.81 C ATOM 23 O LYS A 2 33.168 -25.571 -1.721 1.00 18.27 O ATOM 24 CB LYS A 2 33.419 -28.407 -0.926 1.00 18.52 C ATOM 25 CG LYS A 2 32.003 -28.709 -0.426 1.00 17.94 C ATOM 26 CD LYS A 2 32.065 -29.275 0.997 1.00 18.34 C ATOM 27 CE LYS A 2 30.667 -29.399 1.614 1.00 18.03 C ATOM 28 NZ LYS A 2 30.066 -28.076 1.904 1.00 18.39 N ATOM 0 H LYS A 2 35.219 -26.812 -2.555 1.00 19.41 H new ATOM 0 HA LYS A 2 32.851 -28.540 -2.986 1.00 18.38 H new ATOM 0 HB2 LYS A 2 34.018 -29.317 -0.895 1.00 18.52 H new ATOM 0 HB3 LYS A 2 33.896 -27.689 -0.258 1.00 18.52 H new ATOM 0 HG2 LYS A 2 31.401 -27.800 -0.440 1.00 17.94 H new ATOM 0 HG3 LYS A 2 31.517 -29.423 -1.091 1.00 17.94 H new ATOM 0 HD2 LYS A 2 32.544 -30.254 0.980 1.00 18.34 H new ATOM 0 HD3 LYS A 2 32.683 -28.628 1.620 1.00 18.34 H new ATOM 0 HE2 LYS A 2 30.018 -29.950 0.933 1.00 18.03 H new ATOM 0 HE3 LYS A 2 30.728 -29.979 2.535 1.00 18.03 H new ATOM 0 HZ1 LYS A 2 29.212 -28.202 2.485 1.00 18.39 H new ATOM 0 HZ2 LYS A 2 30.752 -27.489 2.420 1.00 18.39 H new ATOM 0 HZ3 LYS A 2 29.811 -27.607 1.011 1.00 18.39 H new ATOM 42 N GLN A 3 31.713 -26.347 -3.254 1.00 17.02 N ATOM 43 CA GLN A 3 30.918 -25.139 -3.408 1.00 16.39 C ATOM 44 C GLN A 3 29.652 -25.530 -4.167 1.00 15.42 C ATOM 45 O GLN A 3 29.553 -26.660 -4.644 1.00 15.56 O ATOM 46 CB GLN A 3 31.717 -24.068 -4.173 1.00 17.38 C ATOM 47 CG GLN A 3 31.991 -22.858 -3.271 1.00 17.58 C ATOM 48 CD GLN A 3 32.940 -21.856 -3.924 1.00 18.84 C ATOM 49 OE1 GLN A 3 33.791 -22.213 -4.729 1.00 19.69 O ATOM 50 NE2 GLN A 3 32.826 -20.580 -3.578 1.00 19.18 N ATOM 0 H GLN A 3 31.405 -27.103 -3.866 1.00 17.02 H new ATOM 0 HA GLN A 3 30.660 -24.712 -2.439 1.00 16.39 H new ATOM 0 HB2 GLN A 3 32.659 -24.489 -4.523 1.00 17.38 H new ATOM 0 HB3 GLN A 3 31.161 -23.753 -5.056 1.00 17.38 H new ATOM 0 HG2 GLN A 3 31.049 -22.363 -3.034 1.00 17.58 H new ATOM 0 HG3 GLN A 3 32.418 -23.199 -2.328 1.00 17.58 H new ATOM 0 HE21 GLN A 3 32.113 -20.295 -2.906 1.00 19.18 H new ATOM 0 HE22 GLN A 3 33.451 -19.884 -3.984 1.00 19.18 H new ATOM 59 N ASP A 4 28.698 -24.608 -4.282 1.00 14.64 N ATOM 60 CA ASP A 4 27.506 -24.812 -5.092 1.00 13.81 C ATOM 61 C ASP A 4 27.051 -23.436 -5.573 1.00 13.58 C ATOM 62 O ASP A 4 27.355 -23.017 -6.686 1.00 14.28 O ATOM 63 CB ASP A 4 26.444 -25.580 -4.282 1.00 12.99 C ATOM 64 CG ASP A 4 25.315 -26.115 -5.162 1.00 12.68 C ATOM 65 OD1 ASP A 4 25.389 -25.903 -6.392 1.00 13.49 O ATOM 66 OD2 ASP A 4 24.410 -26.756 -4.586 1.00 12.02 O ATOM 0 H ASP A 4 28.732 -23.701 -3.816 1.00 14.64 H new ATOM 0 HA ASP A 4 27.698 -25.432 -5.968 1.00 13.81 H new ATOM 0 HB2 ASP A 4 26.919 -26.411 -3.760 1.00 12.99 H new ATOM 0 HB3 ASP A 4 26.026 -24.922 -3.520 1.00 12.99 H new ATOM 71 N GLY A 5 26.442 -22.677 -4.668 1.00 12.88 N ATOM 72 CA GLY A 5 25.969 -21.321 -4.874 1.00 12.63 C ATOM 73 C GLY A 5 24.831 -21.086 -3.888 1.00 11.67 C ATOM 74 O GLY A 5 24.443 -22.011 -3.174 1.00 11.40 O ATOM 0 H GLY A 5 26.257 -23.013 -3.723 1.00 12.88 H new ATOM 0 HA2 GLY A 5 26.774 -20.604 -4.711 1.00 12.63 H new ATOM 0 HA3 GLY A 5 25.624 -21.185 -5.899 1.00 12.63 H new ATOM 78 N GLU A 6 24.285 -19.873 -3.826 1.00 11.37 N ATOM 79 CA GLU A 6 23.112 -19.625 -3.006 1.00 10.60 C ATOM 80 C GLU A 6 22.345 -18.470 -3.641 1.00 10.01 C ATOM 81 O GLU A 6 22.747 -17.316 -3.520 1.00 10.41 O ATOM 82 CB GLU A 6 23.536 -19.335 -1.556 1.00 11.44 C ATOM 83 CG GLU A 6 22.332 -19.445 -0.614 1.00 11.25 C ATOM 84 CD GLU A 6 22.757 -19.339 0.854 1.00 12.47 C ATOM 85 OE1 GLU A 6 23.440 -20.278 1.324 1.00 13.07 O ATOM 86 OE2 GLU A 6 22.384 -18.331 1.493 1.00 13.04 O ATOM 0 H GLU A 6 24.635 -19.058 -4.330 1.00 11.37 H new ATOM 0 HA GLU A 6 22.459 -20.497 -2.963 1.00 10.60 H new ATOM 0 HB2 GLU A 6 24.311 -20.038 -1.250 1.00 11.44 H new ATOM 0 HB3 GLU A 6 23.967 -18.336 -1.490 1.00 11.44 H new ATOM 0 HG2 GLU A 6 21.615 -18.657 -0.844 1.00 11.25 H new ATOM 0 HG3 GLU A 6 21.825 -20.395 -0.779 1.00 11.25 H new ATOM 93 N GLU A 7 21.277 -18.773 -4.380 1.00 9.23 N ATOM 94 CA GLU A 7 20.448 -17.759 -5.011 1.00 8.68 C ATOM 95 C GLU A 7 19.062 -18.359 -5.268 1.00 7.71 C ATOM 96 O GLU A 7 18.799 -19.495 -4.871 1.00 7.68 O ATOM 97 CB GLU A 7 21.112 -17.247 -6.303 1.00 9.13 C ATOM 98 CG GLU A 7 21.061 -15.715 -6.335 1.00 9.70 C ATOM 99 CD GLU A 7 21.654 -15.156 -7.629 1.00 10.62 C ATOM 100 OE1 GLU A 7 20.944 -15.227 -8.657 1.00 10.94 O ATOM 101 OE2 GLU A 7 22.801 -14.659 -7.577 1.00 11.29 O ATOM 0 H GLU A 7 20.967 -19.729 -4.555 1.00 9.23 H new ATOM 0 HA GLU A 7 20.338 -16.894 -4.357 1.00 8.68 H new ATOM 0 HB2 GLU A 7 22.146 -17.588 -6.352 1.00 9.13 H new ATOM 0 HB3 GLU A 7 20.600 -17.656 -7.174 1.00 9.13 H new ATOM 0 HG2 GLU A 7 20.028 -15.383 -6.235 1.00 9.70 H new ATOM 0 HG3 GLU A 7 21.608 -15.315 -5.481 1.00 9.70 H new ATOM 108 N GLY A 8 18.169 -17.614 -5.919 1.00 7.14 N ATOM 109 CA GLY A 8 16.803 -18.041 -6.170 1.00 6.36 C ATOM 110 C GLY A 8 16.153 -17.058 -7.134 1.00 5.71 C ATOM 111 O GLY A 8 16.844 -16.443 -7.940 1.00 6.43 O ATOM 0 H GLY A 8 18.381 -16.687 -6.289 1.00 7.14 H new ATOM 0 HA2 GLY A 8 16.793 -19.046 -6.592 1.00 6.36 H new ATOM 0 HA3 GLY A 8 16.242 -18.081 -5.236 1.00 6.36 H new ATOM 115 N THR A 9 14.831 -16.908 -7.081 1.00 4.77 N ATOM 116 CA THR A 9 14.129 -15.993 -7.965 1.00 4.46 C ATOM 117 C THR A 9 12.779 -15.636 -7.334 1.00 3.55 C ATOM 118 O THR A 9 12.506 -16.067 -6.213 1.00 3.49 O ATOM 119 CB THR A 9 14.018 -16.639 -9.357 1.00 5.31 C ATOM 120 OG1 THR A 9 13.559 -15.703 -10.309 1.00 5.65 O ATOM 121 CG2 THR A 9 13.108 -17.869 -9.355 1.00 5.49 C ATOM 0 H THR A 9 14.227 -17.412 -6.432 1.00 4.77 H new ATOM 0 HA THR A 9 14.669 -15.055 -8.098 1.00 4.46 H new ATOM 0 HB THR A 9 15.020 -16.969 -9.631 1.00 5.31 H new ATOM 0 HG1 THR A 9 13.497 -16.133 -11.187 1.00 5.65 H new ATOM 0 HG21 THR A 9 13.062 -18.289 -10.360 1.00 5.49 H new ATOM 0 HG22 THR A 9 13.506 -18.615 -8.668 1.00 5.49 H new ATOM 0 HG23 THR A 9 12.106 -17.580 -9.036 1.00 5.49 H new ATOM 129 N GLU A 10 11.945 -14.890 -8.064 1.00 3.53 N ATOM 130 CA GLU A 10 10.604 -14.470 -7.663 1.00 3.20 C ATOM 131 C GLU A 10 10.656 -13.398 -6.561 1.00 2.58 C ATOM 132 O GLU A 10 11.724 -12.870 -6.257 1.00 3.52 O ATOM 133 CB GLU A 10 9.770 -15.718 -7.304 1.00 4.16 C ATOM 134 CG GLU A 10 8.263 -15.533 -7.522 1.00 4.88 C ATOM 135 CD GLU A 10 7.644 -16.802 -8.116 1.00 6.19 C ATOM 136 OE1 GLU A 10 7.333 -17.720 -7.326 1.00 7.31 O ATOM 137 OE2 GLU A 10 7.522 -16.847 -9.360 1.00 6.54 O ATOM 0 H GLU A 10 12.200 -14.549 -8.991 1.00 3.53 H new ATOM 0 HA GLU A 10 10.098 -13.978 -8.494 1.00 3.20 H new ATOM 0 HB2 GLU A 10 10.115 -16.560 -7.904 1.00 4.16 H new ATOM 0 HB3 GLU A 10 9.949 -15.976 -6.260 1.00 4.16 H new ATOM 0 HG2 GLU A 10 7.780 -15.295 -6.574 1.00 4.88 H new ATOM 0 HG3 GLU A 10 8.088 -14.689 -8.190 1.00 4.88 H new ATOM 144 N GLU A 11 9.499 -13.060 -5.983 1.00 2.14 N ATOM 145 CA GLU A 11 9.354 -12.207 -4.805 1.00 1.77 C ATOM 146 C GLU A 11 9.841 -10.764 -5.026 1.00 1.79 C ATOM 147 O GLU A 11 10.732 -10.283 -4.326 1.00 2.53 O ATOM 148 CB GLU A 11 10.034 -12.875 -3.593 1.00 2.14 C ATOM 149 CG GLU A 11 9.408 -12.392 -2.276 1.00 2.89 C ATOM 150 CD GLU A 11 10.455 -12.057 -1.208 1.00 3.39 C ATOM 151 OE1 GLU A 11 10.649 -10.838 -0.974 1.00 4.02 O ATOM 152 OE2 GLU A 11 11.040 -13.000 -0.635 1.00 4.04 O ATOM 0 H GLU A 11 8.602 -13.388 -6.340 1.00 2.14 H new ATOM 0 HA GLU A 11 8.288 -12.108 -4.601 1.00 1.77 H new ATOM 0 HB2 GLU A 11 9.939 -13.958 -3.669 1.00 2.14 H new ATOM 0 HB3 GLU A 11 11.100 -12.647 -3.598 1.00 2.14 H new ATOM 0 HG2 GLU A 11 8.799 -11.509 -2.471 1.00 2.89 H new ATOM 0 HG3 GLU A 11 8.739 -13.163 -1.893 1.00 2.89 H new ATOM 159 N ASP A 12 9.203 -10.003 -5.919 1.00 1.37 N ATOM 160 CA ASP A 12 9.598 -8.624 -6.188 1.00 1.47 C ATOM 161 C ASP A 12 8.350 -7.759 -6.281 1.00 1.33 C ATOM 162 O ASP A 12 7.471 -8.053 -7.080 1.00 1.65 O ATOM 163 CB ASP A 12 10.429 -8.520 -7.469 1.00 1.91 C ATOM 164 CG ASP A 12 11.078 -7.137 -7.558 1.00 2.28 C ATOM 165 OD1 ASP A 12 10.848 -6.335 -6.620 1.00 2.70 O ATOM 166 OD2 ASP A 12 11.815 -6.908 -8.541 1.00 3.09 O ATOM 0 H ASP A 12 8.406 -10.324 -6.469 1.00 1.37 H new ATOM 0 HA ASP A 12 10.226 -8.271 -5.370 1.00 1.47 H new ATOM 0 HB2 ASP A 12 11.197 -9.293 -7.478 1.00 1.91 H new ATOM 0 HB3 ASP A 12 9.795 -8.690 -8.339 1.00 1.91 H new ATOM 171 N THR A 13 8.261 -6.739 -5.418 1.00 1.22 N ATOM 172 CA THR A 13 7.119 -5.844 -5.222 1.00 1.14 C ATOM 173 C THR A 13 5.770 -6.496 -5.575 1.00 1.06 C ATOM 174 O THR A 13 4.985 -5.923 -6.328 1.00 1.27 O ATOM 175 CB THR A 13 7.394 -4.510 -5.947 1.00 1.36 C ATOM 176 OG1 THR A 13 6.342 -3.593 -5.727 1.00 2.15 O ATOM 177 CG2 THR A 13 7.635 -4.641 -7.453 1.00 2.95 C ATOM 0 H THR A 13 9.037 -6.504 -4.799 1.00 1.22 H new ATOM 0 HA THR A 13 7.015 -5.627 -4.159 1.00 1.14 H new ATOM 0 HB THR A 13 8.324 -4.144 -5.512 1.00 1.36 H new ATOM 0 HG1 THR A 13 5.486 -4.019 -5.944 1.00 2.15 H new ATOM 0 HG21 THR A 13 7.820 -3.655 -7.879 1.00 2.95 H new ATOM 0 HG22 THR A 13 8.500 -5.280 -7.629 1.00 2.95 H new ATOM 0 HG23 THR A 13 6.757 -5.082 -7.925 1.00 2.95 H new ATOM 185 N GLU A 14 5.476 -7.656 -4.977 1.00 0.92 N ATOM 186 CA GLU A 14 4.362 -8.501 -5.397 1.00 0.88 C ATOM 187 C GLU A 14 3.281 -8.511 -4.307 1.00 0.80 C ATOM 188 O GLU A 14 2.150 -8.105 -4.556 1.00 0.96 O ATOM 189 CB GLU A 14 4.905 -9.899 -5.731 1.00 0.92 C ATOM 190 CG GLU A 14 4.010 -10.661 -6.716 1.00 1.06 C ATOM 191 CD GLU A 14 4.256 -10.219 -8.162 1.00 1.88 C ATOM 192 OE1 GLU A 14 5.117 -10.845 -8.820 1.00 2.55 O ATOM 193 OE2 GLU A 14 3.571 -9.265 -8.598 1.00 3.18 O ATOM 0 H GLU A 14 6.005 -8.031 -4.190 1.00 0.92 H new ATOM 0 HA GLU A 14 3.886 -8.112 -6.297 1.00 0.88 H new ATOM 0 HB2 GLU A 14 5.905 -9.804 -6.154 1.00 0.92 H new ATOM 0 HB3 GLU A 14 5.001 -10.477 -4.812 1.00 0.92 H new ATOM 0 HG2 GLU A 14 4.197 -11.731 -6.625 1.00 1.06 H new ATOM 0 HG3 GLU A 14 2.964 -10.498 -6.458 1.00 1.06 H new ATOM 200 N GLU A 15 3.608 -8.902 -3.069 1.00 0.70 N ATOM 201 CA GLU A 15 2.649 -8.868 -1.970 1.00 0.64 C ATOM 202 C GLU A 15 3.363 -8.635 -0.634 1.00 0.57 C ATOM 203 O GLU A 15 3.280 -9.413 0.318 1.00 0.60 O ATOM 204 CB GLU A 15 1.749 -10.120 -1.983 1.00 0.68 C ATOM 205 CG GLU A 15 2.435 -11.484 -1.779 1.00 2.38 C ATOM 206 CD GLU A 15 3.536 -11.749 -2.802 1.00 3.77 C ATOM 207 OE1 GLU A 15 3.201 -12.237 -3.903 1.00 4.27 O ATOM 208 OE2 GLU A 15 4.699 -11.388 -2.495 1.00 5.06 O ATOM 0 H GLU A 15 4.532 -9.245 -2.808 1.00 0.70 H new ATOM 0 HA GLU A 15 1.979 -8.019 -2.107 1.00 0.64 H new ATOM 0 HB2 GLU A 15 0.995 -10.002 -1.205 1.00 0.68 H new ATOM 0 HB3 GLU A 15 1.222 -10.147 -2.937 1.00 0.68 H new ATOM 0 HG2 GLU A 15 2.859 -11.526 -0.776 1.00 2.38 H new ATOM 0 HG3 GLU A 15 1.688 -12.275 -1.843 1.00 2.38 H new ATOM 215 N LYS A 16 4.047 -7.494 -0.540 1.00 0.59 N ATOM 216 CA LYS A 16 4.860 -7.136 0.614 1.00 0.58 C ATOM 217 C LYS A 16 4.362 -5.795 1.147 1.00 0.54 C ATOM 218 O LYS A 16 4.451 -4.790 0.445 1.00 0.58 O ATOM 219 CB LYS A 16 6.339 -7.094 0.185 1.00 0.68 C ATOM 220 CG LYS A 16 6.691 -8.395 -0.555 1.00 0.69 C ATOM 221 CD LYS A 16 8.186 -8.677 -0.733 1.00 0.85 C ATOM 222 CE LYS A 16 8.756 -8.101 -2.031 1.00 0.94 C ATOM 223 NZ LYS A 16 10.093 -8.677 -2.296 1.00 1.18 N ATOM 0 H LYS A 16 4.049 -6.786 -1.275 1.00 0.59 H new ATOM 0 HA LYS A 16 4.776 -7.869 1.416 1.00 0.58 H new ATOM 0 HB2 LYS A 16 6.518 -6.235 -0.461 1.00 0.68 H new ATOM 0 HB3 LYS A 16 6.980 -6.974 1.059 1.00 0.68 H new ATOM 0 HG2 LYS A 16 6.245 -9.230 -0.015 1.00 0.69 H new ATOM 0 HG3 LYS A 16 6.226 -8.368 -1.540 1.00 0.69 H new ATOM 0 HD2 LYS A 16 8.732 -8.259 0.113 1.00 0.85 H new ATOM 0 HD3 LYS A 16 8.351 -9.754 -0.718 1.00 0.85 H new ATOM 0 HE2 LYS A 16 8.085 -8.321 -2.862 1.00 0.94 H new ATOM 0 HE3 LYS A 16 8.827 -7.016 -1.957 1.00 0.94 H new ATOM 0 HZ1 LYS A 16 10.799 -7.914 -2.330 1.00 1.18 H new ATOM 0 HZ2 LYS A 16 10.340 -9.344 -1.537 1.00 1.18 H new ATOM 0 HZ3 LYS A 16 10.081 -9.178 -3.207 1.00 1.18 H new ATOM 237 N CYS A 17 3.817 -5.767 2.365 1.00 0.49 N ATOM 238 CA CYS A 17 3.424 -4.531 3.025 1.00 0.45 C ATOM 239 C CYS A 17 4.707 -3.789 3.389 1.00 0.53 C ATOM 240 O CYS A 17 5.418 -4.176 4.319 1.00 0.63 O ATOM 241 CB CYS A 17 2.624 -4.859 4.296 1.00 0.48 C ATOM 242 SG CYS A 17 2.193 -3.355 5.222 1.00 0.64 S ATOM 0 H CYS A 17 3.638 -6.605 2.918 1.00 0.49 H new ATOM 0 HA CYS A 17 2.798 -3.919 2.376 1.00 0.45 H new ATOM 0 HB2 CYS A 17 1.714 -5.394 4.026 1.00 0.48 H new ATOM 0 HB3 CYS A 17 3.208 -5.524 4.932 1.00 0.48 H new ATOM 247 N THR A 18 4.979 -2.673 2.715 1.00 0.55 N ATOM 248 CA THR A 18 6.152 -1.874 3.017 1.00 0.66 C ATOM 249 C THR A 18 5.764 -0.767 4.004 1.00 0.60 C ATOM 250 O THR A 18 6.369 0.302 3.999 1.00 0.64 O ATOM 251 CB THR A 18 6.740 -1.322 1.711 1.00 0.82 C ATOM 252 OG1 THR A 18 5.817 -0.422 1.142 1.00 0.96 O ATOM 253 CG2 THR A 18 7.058 -2.433 0.696 1.00 0.85 C ATOM 0 H THR A 18 4.401 -2.307 1.959 1.00 0.55 H new ATOM 0 HA THR A 18 6.925 -2.479 3.490 1.00 0.66 H new ATOM 0 HB THR A 18 7.678 -0.822 1.951 1.00 0.82 H new ATOM 0 HG1 THR A 18 6.183 -0.062 0.307 1.00 0.96 H new ATOM 0 HG21 THR A 18 7.471 -1.990 -0.210 1.00 0.85 H new ATOM 0 HG22 THR A 18 7.784 -3.123 1.127 1.00 0.85 H new ATOM 0 HG23 THR A 18 6.144 -2.975 0.451 1.00 0.85 H new ATOM 261 N ILE A 19 4.729 -1.001 4.822 1.00 0.67 N ATOM 262 CA ILE A 19 4.283 -0.085 5.855 1.00 0.66 C ATOM 263 C ILE A 19 4.648 -0.680 7.213 1.00 0.70 C ATOM 264 O ILE A 19 5.521 -0.168 7.902 1.00 0.77 O ATOM 265 CB ILE A 19 2.782 0.185 5.725 1.00 0.61 C ATOM 266 CG1 ILE A 19 2.483 0.584 4.271 1.00 0.60 C ATOM 267 CG2 ILE A 19 2.438 1.268 6.750 1.00 0.66 C ATOM 268 CD1 ILE A 19 1.189 1.342 4.131 1.00 0.66 C ATOM 0 H ILE A 19 4.173 -1.855 4.775 1.00 0.67 H new ATOM 0 HA ILE A 19 4.779 0.880 5.749 1.00 0.66 H new ATOM 0 HB ILE A 19 2.163 -0.687 5.936 1.00 0.61 H new ATOM 0 HG12 ILE A 19 3.301 1.196 3.891 1.00 0.60 H new ATOM 0 HG13 ILE A 19 2.443 -0.313 3.653 1.00 0.60 H new ATOM 0 HG21 ILE A 19 1.373 1.496 6.695 1.00 0.66 H new ATOM 0 HG22 ILE A 19 2.682 0.912 7.751 1.00 0.66 H new ATOM 0 HG23 ILE A 19 3.013 2.169 6.535 1.00 0.66 H new ATOM 0 HD11 ILE A 19 1.029 1.598 3.084 1.00 0.66 H new ATOM 0 HD12 ILE A 19 0.364 0.722 4.483 1.00 0.66 H new ATOM 0 HD13 ILE A 19 1.236 2.255 4.725 1.00 0.66 H new ATOM 280 N CYS A 20 3.984 -1.783 7.575 1.00 0.74 N ATOM 281 CA CYS A 20 4.264 -2.552 8.777 1.00 0.82 C ATOM 282 C CYS A 20 5.507 -3.430 8.589 1.00 0.88 C ATOM 283 O CYS A 20 5.897 -4.122 9.525 1.00 1.12 O ATOM 284 CB CYS A 20 3.050 -3.439 9.099 1.00 0.88 C ATOM 285 SG CYS A 20 2.586 -4.525 7.704 1.00 1.21 S ATOM 0 H CYS A 20 3.219 -2.169 7.022 1.00 0.74 H new ATOM 0 HA CYS A 20 4.455 -1.862 9.599 1.00 0.82 H new ATOM 0 HB2 CYS A 20 3.273 -4.051 9.973 1.00 0.88 H new ATOM 0 HB3 CYS A 20 2.202 -2.807 9.361 1.00 0.88 H new ATOM 290 N LEU A 21 6.127 -3.404 7.402 1.00 0.83 N ATOM 291 CA LEU A 21 7.311 -4.183 7.076 1.00 0.97 C ATOM 292 C LEU A 21 7.016 -5.663 7.303 1.00 1.09 C ATOM 293 O LEU A 21 7.628 -6.317 8.147 1.00 1.37 O ATOM 294 CB LEU A 21 8.523 -3.684 7.886 1.00 1.12 C ATOM 295 CG LEU A 21 8.865 -2.209 7.624 1.00 1.18 C ATOM 296 CD1 LEU A 21 9.750 -1.675 8.752 1.00 1.47 C ATOM 297 CD2 LEU A 21 9.597 -2.048 6.288 1.00 1.49 C ATOM 0 H LEU A 21 5.805 -2.823 6.628 1.00 0.83 H new ATOM 0 HA LEU A 21 7.569 -4.054 6.025 1.00 0.97 H new ATOM 0 HB2 LEU A 21 8.321 -3.820 8.949 1.00 1.12 H new ATOM 0 HB3 LEU A 21 9.390 -4.299 7.645 1.00 1.12 H new ATOM 0 HG LEU A 21 7.934 -1.644 7.584 1.00 1.18 H new ATOM 0 HD11 LEU A 21 9.990 -0.629 8.562 1.00 1.47 H new ATOM 0 HD12 LEU A 21 9.220 -1.759 9.701 1.00 1.47 H new ATOM 0 HD13 LEU A 21 10.671 -2.256 8.798 1.00 1.47 H new ATOM 0 HD21 LEU A 21 9.829 -0.995 6.125 1.00 1.49 H new ATOM 0 HD22 LEU A 21 10.522 -2.624 6.308 1.00 1.49 H new ATOM 0 HD23 LEU A 21 8.962 -2.410 5.479 1.00 1.49 H new ATOM 309 N SER A 22 6.055 -6.215 6.564 1.00 0.96 N ATOM 310 CA SER A 22 5.741 -7.633 6.653 1.00 1.09 C ATOM 311 C SER A 22 5.275 -8.127 5.290 1.00 0.87 C ATOM 312 O SER A 22 4.652 -7.390 4.534 1.00 0.77 O ATOM 313 CB SER A 22 4.660 -7.892 7.710 1.00 1.27 C ATOM 314 OG SER A 22 4.838 -7.114 8.880 1.00 1.60 O ATOM 0 H SER A 22 5.482 -5.698 5.897 1.00 0.96 H new ATOM 0 HA SER A 22 6.637 -8.176 6.954 1.00 1.09 H new ATOM 0 HB2 SER A 22 3.681 -7.677 7.282 1.00 1.27 H new ATOM 0 HB3 SER A 22 4.666 -8.949 7.978 1.00 1.27 H new ATOM 0 HG SER A 22 4.301 -6.297 8.814 1.00 1.60 H new ATOM 320 N ILE A 23 5.587 -9.375 4.964 1.00 0.87 N ATOM 321 CA ILE A 23 5.107 -10.016 3.752 1.00 0.74 C ATOM 322 C ILE A 23 3.688 -10.512 4.039 1.00 0.68 C ATOM 323 O ILE A 23 3.279 -10.557 5.200 1.00 0.82 O ATOM 324 CB ILE A 23 6.055 -11.168 3.375 1.00 0.92 C ATOM 325 CG1 ILE A 23 7.543 -10.799 3.548 1.00 1.41 C ATOM 326 CG2 ILE A 23 5.791 -11.625 1.938 1.00 0.78 C ATOM 327 CD1 ILE A 23 7.957 -9.517 2.819 1.00 1.01 C ATOM 0 H ILE A 23 6.183 -9.972 5.538 1.00 0.87 H new ATOM 0 HA ILE A 23 5.086 -9.329 2.906 1.00 0.74 H new ATOM 0 HB ILE A 23 5.846 -11.986 4.065 1.00 0.92 H new ATOM 0 HG12 ILE A 23 7.757 -10.685 4.611 1.00 1.41 H new ATOM 0 HG13 ILE A 23 8.156 -11.625 3.186 1.00 1.41 H new ATOM 0 HG21 ILE A 23 6.469 -12.440 1.685 1.00 0.78 H new ATOM 0 HG22 ILE A 23 4.761 -11.969 1.849 1.00 0.78 H new ATOM 0 HG23 ILE A 23 5.955 -10.791 1.255 1.00 0.78 H new ATOM 0 HD11 ILE A 23 9.017 -9.327 2.990 1.00 1.01 H new ATOM 0 HD12 ILE A 23 7.777 -9.632 1.750 1.00 1.01 H new ATOM 0 HD13 ILE A 23 7.372 -8.678 3.197 1.00 1.01 H new ATOM 339 N LEU A 24 2.934 -10.858 2.996 1.00 0.62 N ATOM 340 CA LEU A 24 1.550 -11.265 3.123 1.00 0.68 C ATOM 341 C LEU A 24 1.434 -12.759 2.821 1.00 0.79 C ATOM 342 O LEU A 24 1.617 -13.554 3.738 1.00 0.93 O ATOM 343 CB LEU A 24 0.700 -10.349 2.235 1.00 0.68 C ATOM 344 CG LEU A 24 0.939 -8.866 2.550 1.00 0.65 C ATOM 345 CD1 LEU A 24 0.342 -8.066 1.408 1.00 0.98 C ATOM 346 CD2 LEU A 24 0.299 -8.451 3.870 1.00 0.93 C ATOM 0 H LEU A 24 3.277 -10.861 2.035 1.00 0.62 H new ATOM 0 HA LEU A 24 1.168 -11.149 4.137 1.00 0.68 H new ATOM 0 HB2 LEU A 24 0.933 -10.540 1.188 1.00 0.68 H new ATOM 0 HB3 LEU A 24 -0.355 -10.585 2.375 1.00 0.68 H new ATOM 0 HG LEU A 24 2.009 -8.682 2.652 1.00 0.65 H new ATOM 0 HD11 LEU A 24 0.490 -7.002 1.592 1.00 0.98 H new ATOM 0 HD12 LEU A 24 0.831 -8.344 0.474 1.00 0.98 H new ATOM 0 HD13 LEU A 24 -0.725 -8.276 1.335 1.00 0.98 H new ATOM 0 HD21 LEU A 24 0.494 -7.394 4.052 1.00 0.93 H new ATOM 0 HD22 LEU A 24 -0.777 -8.619 3.821 1.00 0.93 H new ATOM 0 HD23 LEU A 24 0.722 -9.043 4.682 1.00 0.93 H new ATOM 358 N GLU A 25 1.207 -13.124 1.556 1.00 0.82 N ATOM 359 CA GLU A 25 1.221 -14.482 1.014 1.00 0.97 C ATOM 360 C GLU A 25 -0.042 -15.259 1.408 1.00 1.19 C ATOM 361 O GLU A 25 -0.251 -15.550 2.582 1.00 1.88 O ATOM 362 CB GLU A 25 2.485 -15.273 1.393 1.00 1.22 C ATOM 363 CG GLU A 25 3.788 -14.472 1.377 1.00 1.08 C ATOM 364 CD GLU A 25 5.029 -15.354 1.544 1.00 1.21 C ATOM 365 OE1 GLU A 25 5.146 -16.351 0.797 1.00 2.20 O ATOM 366 OE2 GLU A 25 5.858 -15.019 2.423 1.00 1.96 O ATOM 0 H GLU A 25 0.995 -12.432 0.838 1.00 0.82 H new ATOM 0 HA GLU A 25 1.235 -14.368 -0.070 1.00 0.97 H new ATOM 0 HB2 GLU A 25 2.347 -15.690 2.390 1.00 1.22 H new ATOM 0 HB3 GLU A 25 2.586 -16.114 0.707 1.00 1.22 H new ATOM 0 HG2 GLU A 25 3.861 -13.924 0.437 1.00 1.08 H new ATOM 0 HG3 GLU A 25 3.764 -13.732 2.177 1.00 1.08 H new ATOM 373 N GLU A 26 -0.849 -15.630 0.410 1.00 1.85 N ATOM 374 CA GLU A 26 -2.178 -16.228 0.514 1.00 2.29 C ATOM 375 C GLU A 26 -3.184 -15.308 1.214 1.00 1.75 C ATOM 376 O GLU A 26 -2.960 -14.793 2.306 1.00 2.04 O ATOM 377 CB GLU A 26 -2.132 -17.616 1.169 1.00 3.28 C ATOM 378 CG GLU A 26 -1.427 -18.663 0.296 1.00 4.40 C ATOM 379 CD GLU A 26 -2.376 -19.268 -0.744 1.00 5.78 C ATOM 380 OE1 GLU A 26 -3.238 -18.515 -1.249 1.00 6.41 O ATOM 381 OE2 GLU A 26 -2.242 -20.485 -1.003 1.00 6.74 O ATOM 0 H GLU A 26 -0.567 -15.510 -0.563 1.00 1.85 H new ATOM 0 HA GLU A 26 -2.534 -16.361 -0.508 1.00 2.29 H new ATOM 0 HB2 GLU A 26 -1.618 -17.543 2.128 1.00 3.28 H new ATOM 0 HB3 GLU A 26 -3.149 -17.948 1.377 1.00 3.28 H new ATOM 0 HG2 GLU A 26 -0.579 -18.203 -0.210 1.00 4.40 H new ATOM 0 HG3 GLU A 26 -1.028 -19.456 0.929 1.00 4.40 H new ATOM 388 N GLY A 27 -4.344 -15.119 0.585 1.00 2.09 N ATOM 389 CA GLY A 27 -5.395 -14.264 1.127 1.00 2.34 C ATOM 390 C GLY A 27 -4.895 -12.835 1.330 1.00 2.12 C ATOM 391 O GLY A 27 -5.199 -12.192 2.333 1.00 2.21 O ATOM 0 H GLY A 27 -4.579 -15.552 -0.308 1.00 2.09 H new ATOM 0 HA2 GLY A 27 -6.250 -14.260 0.450 1.00 2.34 H new ATOM 0 HA3 GLY A 27 -5.743 -14.669 2.077 1.00 2.34 H new ATOM 395 N GLU A 28 -4.110 -12.334 0.380 1.00 2.70 N ATOM 396 CA GLU A 28 -3.493 -11.033 0.491 1.00 3.14 C ATOM 397 C GLU A 28 -4.524 -9.955 0.179 1.00 2.50 C ATOM 398 O GLU A 28 -4.967 -9.780 -0.954 1.00 2.57 O ATOM 399 CB GLU A 28 -2.301 -10.889 -0.450 1.00 4.36 C ATOM 400 CG GLU A 28 -1.313 -12.063 -0.379 1.00 5.62 C ATOM 401 CD GLU A 28 -1.539 -13.174 -1.413 1.00 7.78 C ATOM 402 OE1 GLU A 28 -0.532 -13.834 -1.746 1.00 9.06 O ATOM 403 OE2 GLU A 28 -2.701 -13.413 -1.808 1.00 8.49 O ATOM 0 H GLU A 28 -3.889 -12.826 -0.486 1.00 2.70 H new ATOM 0 HA GLU A 28 -3.127 -10.920 1.511 1.00 3.14 H new ATOM 0 HB2 GLU A 28 -2.666 -10.794 -1.473 1.00 4.36 H new ATOM 0 HB3 GLU A 28 -1.772 -9.966 -0.214 1.00 4.36 H new ATOM 0 HG2 GLU A 28 -0.302 -11.674 -0.503 1.00 5.62 H new ATOM 0 HG3 GLU A 28 -1.366 -12.501 0.618 1.00 5.62 H new ATOM 410 N ASP A 29 -4.861 -9.185 1.201 1.00 2.12 N ATOM 411 CA ASP A 29 -5.773 -8.059 1.100 1.00 1.56 C ATOM 412 C ASP A 29 -4.928 -6.799 1.166 1.00 1.17 C ATOM 413 O ASP A 29 -4.464 -6.391 2.235 1.00 1.00 O ATOM 414 CB ASP A 29 -6.837 -8.097 2.206 1.00 1.53 C ATOM 415 CG ASP A 29 -8.127 -8.756 1.721 1.00 2.26 C ATOM 416 OD1 ASP A 29 -8.607 -9.680 2.412 1.00 2.80 O ATOM 417 OD2 ASP A 29 -8.636 -8.286 0.677 1.00 3.39 O ATOM 0 H ASP A 29 -4.500 -9.329 2.144 1.00 2.12 H new ATOM 0 HA ASP A 29 -6.326 -8.093 0.161 1.00 1.56 H new ATOM 0 HB2 ASP A 29 -6.450 -8.643 3.066 1.00 1.53 H new ATOM 0 HB3 ASP A 29 -7.050 -7.082 2.542 1.00 1.53 H new ATOM 422 N VAL A 30 -4.708 -6.176 0.010 1.00 1.41 N ATOM 423 CA VAL A 30 -3.908 -4.970 -0.096 1.00 1.47 C ATOM 424 C VAL A 30 -4.727 -3.905 -0.795 1.00 1.46 C ATOM 425 O VAL A 30 -5.468 -4.193 -1.734 1.00 1.75 O ATOM 426 CB VAL A 30 -2.568 -5.230 -0.804 1.00 2.08 C ATOM 427 CG1 VAL A 30 -1.807 -6.361 -0.117 1.00 2.04 C ATOM 428 CG2 VAL A 30 -2.714 -5.585 -2.286 1.00 2.68 C ATOM 0 H VAL A 30 -5.084 -6.500 -0.881 1.00 1.41 H new ATOM 0 HA VAL A 30 -3.648 -4.620 0.903 1.00 1.47 H new ATOM 0 HB VAL A 30 -2.020 -4.290 -0.737 1.00 2.08 H new ATOM 0 HG11 VAL A 30 -0.862 -6.529 -0.633 1.00 2.04 H new ATOM 0 HG12 VAL A 30 -1.611 -6.090 0.920 1.00 2.04 H new ATOM 0 HG13 VAL A 30 -2.404 -7.272 -0.147 1.00 2.04 H new ATOM 0 HG21 VAL A 30 -1.728 -5.755 -2.718 1.00 2.68 H new ATOM 0 HG22 VAL A 30 -3.314 -6.489 -2.386 1.00 2.68 H new ATOM 0 HG23 VAL A 30 -3.204 -4.764 -2.810 1.00 2.68 H new ATOM 438 N ARG A 31 -4.596 -2.652 -0.366 1.00 1.39 N ATOM 439 CA ARG A 31 -5.205 -1.580 -1.122 1.00 1.38 C ATOM 440 C ARG A 31 -4.181 -1.225 -2.189 1.00 1.12 C ATOM 441 O ARG A 31 -3.091 -0.764 -1.856 1.00 1.44 O ATOM 442 CB ARG A 31 -5.518 -0.409 -0.186 1.00 1.79 C ATOM 443 CG ARG A 31 -6.708 0.432 -0.662 1.00 1.84 C ATOM 444 CD ARG A 31 -8.036 -0.206 -0.224 1.00 1.34 C ATOM 445 NE ARG A 31 -9.162 0.735 -0.339 1.00 1.85 N ATOM 446 CZ ARG A 31 -9.404 1.765 0.489 1.00 2.78 C ATOM 447 NH1 ARG A 31 -10.460 2.553 0.284 1.00 3.47 N ATOM 448 NH2 ARG A 31 -8.591 2.012 1.517 1.00 3.81 N ATOM 0 H ARG A 31 -4.090 -2.367 0.473 1.00 1.39 H new ATOM 0 HA ARG A 31 -6.154 -1.854 -1.583 1.00 1.38 H new ATOM 0 HB2 ARG A 31 -5.727 -0.794 0.812 1.00 1.79 H new ATOM 0 HB3 ARG A 31 -4.638 0.229 -0.103 1.00 1.79 H new ATOM 0 HG2 ARG A 31 -6.632 1.441 -0.256 1.00 1.84 H new ATOM 0 HG3 ARG A 31 -6.684 0.523 -1.748 1.00 1.84 H new ATOM 0 HD2 ARG A 31 -8.235 -1.086 -0.835 1.00 1.34 H new ATOM 0 HD3 ARG A 31 -7.952 -0.547 0.808 1.00 1.34 H new ATOM 0 HE ARG A 31 -9.813 0.593 -1.112 1.00 1.85 H new ATOM 0 HH11 ARG A 31 -11.085 2.374 -0.502 1.00 3.47 H new ATOM 0 HH12 ARG A 31 -10.643 3.335 0.913 1.00 3.47 H new ATOM 0 HH21 ARG A 31 -7.779 1.417 1.679 1.00 3.81 H new ATOM 0 HH22 ARG A 31 -8.782 2.796 2.141 1.00 3.81 H new ATOM 462 N ARG A 32 -4.493 -1.453 -3.465 1.00 0.81 N ATOM 463 CA ARG A 32 -3.560 -1.063 -4.518 1.00 0.82 C ATOM 464 C ARG A 32 -3.358 0.442 -4.598 1.00 1.50 C ATOM 465 O ARG A 32 -2.335 0.896 -5.093 1.00 3.71 O ATOM 466 CB ARG A 32 -3.926 -1.658 -5.878 1.00 0.62 C ATOM 467 CG ARG A 32 -5.292 -1.186 -6.390 1.00 1.24 C ATOM 468 CD ARG A 32 -5.269 -0.944 -7.902 1.00 0.95 C ATOM 469 NE ARG A 32 -5.720 -2.117 -8.669 1.00 1.70 N ATOM 470 CZ ARG A 32 -7.001 -2.452 -8.877 1.00 2.10 C ATOM 471 NH1 ARG A 32 -7.304 -3.518 -9.621 1.00 2.91 N ATOM 472 NH2 ARG A 32 -7.979 -1.723 -8.340 1.00 2.89 N ATOM 0 H ARG A 32 -5.356 -1.891 -3.786 1.00 0.81 H new ATOM 0 HA ARG A 32 -2.599 -1.493 -4.233 1.00 0.82 H new ATOM 0 HB2 ARG A 32 -3.159 -1.389 -6.604 1.00 0.62 H new ATOM 0 HB3 ARG A 32 -3.928 -2.745 -5.804 1.00 0.62 H new ATOM 0 HG2 ARG A 32 -6.050 -1.932 -6.151 1.00 1.24 H new ATOM 0 HG3 ARG A 32 -5.577 -0.267 -5.877 1.00 1.24 H new ATOM 0 HD2 ARG A 32 -5.906 -0.092 -8.140 1.00 0.95 H new ATOM 0 HD3 ARG A 32 -4.257 -0.681 -8.209 1.00 0.95 H new ATOM 0 HE ARG A 32 -5.003 -2.720 -9.073 1.00 1.70 H new ATOM 0 HH11 ARG A 32 -6.560 -4.080 -10.033 1.00 2.91 H new ATOM 0 HH12 ARG A 32 -8.280 -3.770 -9.777 1.00 2.91 H new ATOM 0 HH21 ARG A 32 -7.753 -0.908 -7.769 1.00 2.89 H new ATOM 0 HH22 ARG A 32 -8.953 -1.980 -8.500 1.00 2.89 H new ATOM 486 N LEU A 33 -4.336 1.207 -4.119 1.00 0.65 N ATOM 487 CA LEU A 33 -4.487 2.626 -4.353 1.00 0.56 C ATOM 488 C LEU A 33 -4.737 2.908 -5.838 1.00 0.65 C ATOM 489 O LEU A 33 -4.316 2.149 -6.712 1.00 0.76 O ATOM 490 CB LEU A 33 -3.283 3.390 -3.778 1.00 0.64 C ATOM 491 CG LEU A 33 -3.000 3.037 -2.308 1.00 0.74 C ATOM 492 CD1 LEU A 33 -1.916 3.958 -1.756 1.00 1.70 C ATOM 493 CD2 LEU A 33 -4.271 3.129 -1.454 1.00 1.87 C ATOM 0 H LEU A 33 -5.077 0.828 -3.529 1.00 0.65 H new ATOM 0 HA LEU A 33 -5.368 2.991 -3.826 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -2.399 3.170 -4.376 1.00 0.64 H new ATOM 0 HB3 LEU A 33 -3.465 4.461 -3.861 1.00 0.64 H new ATOM 0 HG LEU A 33 -2.651 2.005 -2.265 1.00 0.74 H new ATOM 0 HD11 LEU A 33 -1.719 3.704 -0.714 1.00 1.70 H new ATOM 0 HD12 LEU A 33 -1.003 3.835 -2.339 1.00 1.70 H new ATOM 0 HD13 LEU A 33 -2.251 4.993 -1.820 1.00 1.70 H new ATOM 0 HD21 LEU A 33 -4.035 2.873 -0.421 1.00 1.87 H new ATOM 0 HD22 LEU A 33 -4.664 4.145 -1.495 1.00 1.87 H new ATOM 0 HD23 LEU A 33 -5.018 2.435 -1.838 1.00 1.87 H new ATOM 505 N PRO A 34 -5.422 4.012 -6.158 1.00 0.71 N ATOM 506 CA PRO A 34 -5.599 4.435 -7.533 1.00 0.80 C ATOM 507 C PRO A 34 -4.270 4.863 -8.163 1.00 0.81 C ATOM 508 O PRO A 34 -4.208 5.019 -9.378 1.00 0.95 O ATOM 509 CB PRO A 34 -6.623 5.572 -7.489 1.00 0.91 C ATOM 510 CG PRO A 34 -6.467 6.145 -6.082 1.00 0.89 C ATOM 511 CD PRO A 34 -6.105 4.916 -5.249 1.00 0.76 C ATOM 0 HA PRO A 34 -5.956 3.621 -8.164 1.00 0.80 H new ATOM 0 HB2 PRO A 34 -6.420 6.323 -8.252 1.00 0.91 H new ATOM 0 HB3 PRO A 34 -7.635 5.206 -7.663 1.00 0.91 H new ATOM 0 HG2 PRO A 34 -5.687 6.905 -6.040 1.00 0.89 H new ATOM 0 HG3 PRO A 34 -7.387 6.613 -5.732 1.00 0.89 H new ATOM 0 HD2 PRO A 34 -5.463 5.187 -4.410 1.00 0.76 H new ATOM 0 HD3 PRO A 34 -6.997 4.450 -4.830 1.00 0.76 H new ATOM 519 N CYS A 35 -3.185 5.001 -7.388 1.00 0.72 N ATOM 520 CA CYS A 35 -1.899 5.416 -7.935 1.00 0.77 C ATOM 521 C CYS A 35 -1.080 4.205 -8.397 1.00 0.83 C ATOM 522 O CYS A 35 0.158 4.227 -8.292 1.00 0.91 O ATOM 523 CB CYS A 35 -1.152 6.194 -6.847 1.00 0.75 C ATOM 524 SG CYS A 35 -0.285 5.116 -5.655 1.00 1.41 S ATOM 0 H CYS A 35 -3.179 4.830 -6.382 1.00 0.72 H new ATOM 0 HA CYS A 35 -2.055 6.048 -8.809 1.00 0.77 H new ATOM 0 HB2 CYS A 35 -0.428 6.859 -7.318 1.00 0.75 H new ATOM 0 HB3 CYS A 35 -1.861 6.823 -6.309 1.00 0.75 H new ATOM 529 N MET A 36 -1.775 3.151 -8.831 1.00 0.94 N ATOM 530 CA MET A 36 -1.264 1.842 -9.187 1.00 1.06 C ATOM 531 C MET A 36 -0.100 1.419 -8.298 1.00 1.04 C ATOM 532 O MET A 36 1.069 1.612 -8.627 1.00 1.16 O ATOM 533 CB MET A 36 -0.931 1.786 -10.681 1.00 1.32 C ATOM 534 CG MET A 36 -2.202 2.038 -11.496 1.00 1.69 C ATOM 535 SD MET A 36 -2.068 1.612 -13.249 1.00 2.40 S ATOM 536 CE MET A 36 -3.805 1.810 -13.722 1.00 3.59 C ATOM 0 H MET A 36 -2.787 3.204 -8.949 1.00 0.94 H new ATOM 0 HA MET A 36 -2.048 1.107 -9.004 1.00 1.06 H new ATOM 0 HB2 MET A 36 -0.176 2.533 -10.925 1.00 1.32 H new ATOM 0 HB3 MET A 36 -0.510 0.813 -10.935 1.00 1.32 H new ATOM 0 HG2 MET A 36 -3.019 1.465 -11.058 1.00 1.69 H new ATOM 0 HG3 MET A 36 -2.470 3.091 -11.411 1.00 1.69 H new ATOM 0 HE1 MET A 36 -3.921 1.587 -14.783 1.00 3.59 H new ATOM 0 HE2 MET A 36 -4.421 1.126 -13.138 1.00 3.59 H new ATOM 0 HE3 MET A 36 -4.120 2.836 -13.530 1.00 3.59 H new ATOM 546 N HIS A 37 -0.430 0.847 -7.146 1.00 1.02 N ATOM 547 CA HIS A 37 0.555 0.393 -6.182 1.00 1.08 C ATOM 548 C HIS A 37 0.088 -0.900 -5.537 1.00 1.42 C ATOM 549 O HIS A 37 -0.857 -1.531 -5.999 1.00 2.81 O ATOM 550 CB HIS A 37 0.795 1.505 -5.148 1.00 1.01 C ATOM 551 CG HIS A 37 2.202 1.993 -5.278 1.00 1.00 C ATOM 552 ND1 HIS A 37 2.595 3.049 -6.089 1.00 0.96 N ATOM 553 CD2 HIS A 37 3.307 1.341 -4.805 1.00 1.25 C ATOM 554 CE1 HIS A 37 3.935 3.002 -6.111 1.00 1.18 C ATOM 555 NE2 HIS A 37 4.393 1.999 -5.339 1.00 1.38 N ATOM 0 H HIS A 37 -1.395 0.686 -6.856 1.00 1.02 H new ATOM 0 HA HIS A 37 1.503 0.182 -6.677 1.00 1.08 H new ATOM 0 HB2 HIS A 37 0.095 2.325 -5.308 1.00 1.01 H new ATOM 0 HB3 HIS A 37 0.619 1.127 -4.141 1.00 1.01 H new ATOM 0 HD2 HIS A 37 3.325 0.485 -4.147 1.00 1.25 H new ATOM 0 HE1 HIS A 37 4.562 3.678 -6.673 1.00 1.18 H new ATOM 0 HE2 HIS A 37 5.373 1.767 -5.178 1.00 1.38 H new ATOM 563 N LEU A 38 0.754 -1.307 -4.460 1.00 0.78 N ATOM 564 CA LEU A 38 0.258 -2.332 -3.570 1.00 0.88 C ATOM 565 C LEU A 38 0.838 -2.008 -2.203 1.00 0.94 C ATOM 566 O LEU A 38 1.979 -1.560 -2.121 1.00 1.35 O ATOM 567 CB LEU A 38 0.626 -3.716 -4.120 1.00 1.39 C ATOM 568 CG LEU A 38 1.880 -4.375 -3.525 1.00 2.01 C ATOM 569 CD1 LEU A 38 1.475 -5.300 -2.380 1.00 2.54 C ATOM 570 CD2 LEU A 38 2.585 -5.136 -4.635 1.00 2.57 C ATOM 0 H LEU A 38 1.660 -0.927 -4.185 1.00 0.78 H new ATOM 0 HA LEU A 38 -0.828 -2.355 -3.486 1.00 0.88 H new ATOM 0 HB2 LEU A 38 -0.220 -4.384 -3.959 1.00 1.39 H new ATOM 0 HB3 LEU A 38 0.764 -3.630 -5.198 1.00 1.39 H new ATOM 0 HG LEU A 38 2.561 -3.627 -3.119 1.00 2.01 H new ATOM 0 HD11 LEU A 38 2.365 -5.768 -1.958 1.00 2.54 H new ATOM 0 HD12 LEU A 38 0.968 -4.722 -1.608 1.00 2.54 H new ATOM 0 HD13 LEU A 38 0.803 -6.072 -2.756 1.00 2.54 H new ATOM 0 HD21 LEU A 38 3.480 -5.614 -4.237 1.00 2.57 H new ATOM 0 HD22 LEU A 38 1.916 -5.897 -5.036 1.00 2.57 H new ATOM 0 HD23 LEU A 38 2.866 -4.444 -5.429 1.00 2.57 H new ATOM 582 N PHE A 39 0.048 -2.181 -1.145 1.00 0.85 N ATOM 583 CA PHE A 39 0.550 -2.011 0.210 1.00 1.06 C ATOM 584 C PHE A 39 -0.105 -3.042 1.129 1.00 1.31 C ATOM 585 O PHE A 39 0.336 -4.184 1.199 1.00 2.65 O ATOM 586 CB PHE A 39 0.370 -0.553 0.680 1.00 1.03 C ATOM 587 CG PHE A 39 1.262 0.455 -0.029 1.00 1.09 C ATOM 588 CD1 PHE A 39 0.727 1.341 -0.985 1.00 1.83 C ATOM 589 CD2 PHE A 39 2.643 0.487 0.245 1.00 1.84 C ATOM 590 CE1 PHE A 39 1.565 2.253 -1.654 1.00 2.03 C ATOM 591 CE2 PHE A 39 3.481 1.393 -0.431 1.00 1.94 C ATOM 592 CZ PHE A 39 2.942 2.278 -1.380 1.00 1.52 C ATOM 0 H PHE A 39 -0.937 -2.438 -1.203 1.00 0.85 H new ATOM 0 HA PHE A 39 1.624 -2.197 0.241 1.00 1.06 H new ATOM 0 HB2 PHE A 39 -0.671 -0.264 0.534 1.00 1.03 H new ATOM 0 HB3 PHE A 39 0.567 -0.503 1.751 1.00 1.03 H new ATOM 0 HD1 PHE A 39 -0.330 1.320 -1.205 1.00 1.83 H new ATOM 0 HD2 PHE A 39 3.061 -0.187 0.978 1.00 1.84 H new ATOM 0 HE1 PHE A 39 1.148 2.935 -2.380 1.00 2.03 H new ATOM 0 HE2 PHE A 39 4.540 1.408 -0.220 1.00 1.94 H new ATOM 0 HZ PHE A 39 3.585 2.975 -1.897 1.00 1.52 H new ATOM 602 N HIS A 40 -1.166 -2.660 1.833 1.00 1.08 N ATOM 603 CA HIS A 40 -1.933 -3.528 2.722 1.00 0.94 C ATOM 604 C HIS A 40 -3.326 -2.910 2.797 1.00 0.81 C ATOM 605 O HIS A 40 -3.470 -1.750 2.422 1.00 1.37 O ATOM 606 CB HIS A 40 -1.258 -3.554 4.100 1.00 1.13 C ATOM 607 CG HIS A 40 -1.348 -4.843 4.886 1.00 0.84 C ATOM 608 ND1 HIS A 40 -0.544 -5.128 5.988 1.00 0.78 N ATOM 609 CD2 HIS A 40 -2.177 -5.907 4.669 1.00 0.95 C ATOM 610 CE1 HIS A 40 -0.906 -6.339 6.425 1.00 0.95 C ATOM 611 NE2 HIS A 40 -1.893 -6.831 5.652 1.00 1.07 N ATOM 0 H HIS A 40 -1.528 -1.707 1.800 1.00 1.08 H new ATOM 0 HA HIS A 40 -1.988 -4.557 2.368 1.00 0.94 H new ATOM 0 HB2 HIS A 40 -0.204 -3.313 3.965 1.00 1.13 H new ATOM 0 HB3 HIS A 40 -1.692 -2.758 4.705 1.00 1.13 H new ATOM 0 HD2 HIS A 40 -2.910 -6.005 3.882 1.00 0.95 H new ATOM 0 HE1 HIS A 40 -0.471 -6.847 7.273 1.00 0.95 H new ATOM 0 HE2 HIS A 40 -2.352 -7.734 5.773 1.00 1.07 H new ATOM 619 N GLN A 41 -4.362 -3.627 3.230 1.00 0.59 N ATOM 620 CA GLN A 41 -5.671 -2.996 3.356 1.00 0.61 C ATOM 621 C GLN A 41 -5.785 -2.242 4.683 1.00 0.72 C ATOM 622 O GLN A 41 -6.530 -1.269 4.760 1.00 1.21 O ATOM 623 CB GLN A 41 -6.782 -4.034 3.153 1.00 0.84 C ATOM 624 CG GLN A 41 -8.143 -3.382 2.861 1.00 1.17 C ATOM 625 CD GLN A 41 -9.121 -3.482 4.030 1.00 1.37 C ATOM 626 OE1 GLN A 41 -9.920 -4.404 4.100 1.00 2.43 O ATOM 627 NE2 GLN A 41 -9.097 -2.536 4.958 1.00 2.47 N ATOM 0 H GLN A 41 -4.324 -4.612 3.491 1.00 0.59 H new ATOM 0 HA GLN A 41 -5.790 -2.249 2.571 1.00 0.61 H new ATOM 0 HB2 GLN A 41 -6.513 -4.694 2.328 1.00 0.84 H new ATOM 0 HB3 GLN A 41 -6.863 -4.655 4.045 1.00 0.84 H new ATOM 0 HG2 GLN A 41 -7.990 -2.332 2.613 1.00 1.17 H new ATOM 0 HG3 GLN A 41 -8.585 -3.856 1.984 1.00 1.17 H new ATOM 0 HE21 GLN A 41 -8.426 -1.771 4.889 1.00 2.47 H new ATOM 0 HE22 GLN A 41 -9.750 -2.573 5.741 1.00 2.47 H new ATOM 636 N VAL A 42 -5.049 -2.668 5.715 1.00 0.67 N ATOM 637 CA VAL A 42 -5.093 -2.048 7.036 1.00 0.77 C ATOM 638 C VAL A 42 -4.019 -0.964 7.148 1.00 0.80 C ATOM 639 O VAL A 42 -4.355 0.198 7.328 1.00 1.10 O ATOM 640 CB VAL A 42 -4.975 -3.126 8.129 1.00 0.87 C ATOM 641 CG1 VAL A 42 -5.056 -2.518 9.534 1.00 1.03 C ATOM 642 CG2 VAL A 42 -6.114 -4.143 7.981 1.00 1.01 C ATOM 0 H VAL A 42 -4.404 -3.456 5.653 1.00 0.67 H new ATOM 0 HA VAL A 42 -6.054 -1.553 7.181 1.00 0.77 H new ATOM 0 HB VAL A 42 -4.005 -3.608 8.007 1.00 0.87 H new ATOM 0 HG11 VAL A 42 -4.969 -3.309 10.278 1.00 1.03 H new ATOM 0 HG12 VAL A 42 -4.245 -1.803 9.668 1.00 1.03 H new ATOM 0 HG13 VAL A 42 -6.012 -2.009 9.656 1.00 1.03 H new ATOM 0 HG21 VAL A 42 -6.026 -4.904 8.757 1.00 1.01 H new ATOM 0 HG22 VAL A 42 -7.072 -3.633 8.080 1.00 1.01 H new ATOM 0 HG23 VAL A 42 -6.054 -4.616 7.001 1.00 1.01 H new ATOM 652 N CYS A 43 -2.732 -1.311 7.032 1.00 0.85 N ATOM 653 CA CYS A 43 -1.639 -0.398 7.374 1.00 1.13 C ATOM 654 C CYS A 43 -1.635 0.853 6.493 1.00 0.85 C ATOM 655 O CYS A 43 -1.167 1.913 6.908 1.00 0.81 O ATOM 656 CB CYS A 43 -0.307 -1.110 7.164 1.00 1.58 C ATOM 657 SG CYS A 43 -0.298 -2.700 8.014 1.00 1.84 S ATOM 0 H CYS A 43 -2.422 -2.225 6.701 1.00 0.85 H new ATOM 0 HA CYS A 43 -1.781 -0.099 8.412 1.00 1.13 H new ATOM 0 HB2 CYS A 43 -0.132 -1.260 6.099 1.00 1.58 H new ATOM 0 HB3 CYS A 43 0.507 -0.488 7.536 1.00 1.58 H new ATOM 662 N VAL A 44 -2.091 0.724 5.245 1.00 0.77 N ATOM 663 CA VAL A 44 -2.301 1.863 4.366 1.00 0.72 C ATOM 664 C VAL A 44 -3.087 2.947 5.111 1.00 0.75 C ATOM 665 O VAL A 44 -2.684 4.107 5.139 1.00 0.76 O ATOM 666 CB VAL A 44 -2.999 1.396 3.080 1.00 0.76 C ATOM 667 CG1 VAL A 44 -4.419 0.869 3.327 1.00 1.74 C ATOM 668 CG2 VAL A 44 -3.071 2.509 2.039 1.00 1.71 C ATOM 0 H VAL A 44 -2.323 -0.174 4.821 1.00 0.77 H new ATOM 0 HA VAL A 44 -1.348 2.303 4.072 1.00 0.72 H new ATOM 0 HB VAL A 44 -2.385 0.577 2.705 1.00 0.76 H new ATOM 0 HG11 VAL A 44 -4.860 0.554 2.381 1.00 1.74 H new ATOM 0 HG12 VAL A 44 -4.378 0.020 4.009 1.00 1.74 H new ATOM 0 HG13 VAL A 44 -5.029 1.658 3.767 1.00 1.74 H new ATOM 0 HG21 VAL A 44 -3.572 2.139 1.144 1.00 1.71 H new ATOM 0 HG22 VAL A 44 -3.630 3.352 2.445 1.00 1.71 H new ATOM 0 HG23 VAL A 44 -2.062 2.833 1.782 1.00 1.71 H new ATOM 678 N ASP A 45 -4.157 2.557 5.801 1.00 0.84 N ATOM 679 CA ASP A 45 -5.015 3.421 6.601 1.00 0.97 C ATOM 680 C ASP A 45 -4.385 3.692 7.974 1.00 1.04 C ATOM 681 O ASP A 45 -5.067 3.796 8.990 1.00 1.20 O ATOM 682 CB ASP A 45 -6.380 2.728 6.727 1.00 1.06 C ATOM 683 CG ASP A 45 -7.500 3.699 7.085 1.00 1.65 C ATOM 684 OD1 ASP A 45 -8.544 3.202 7.562 1.00 2.24 O ATOM 685 OD2 ASP A 45 -7.333 4.899 6.775 1.00 2.61 O ATOM 0 H ASP A 45 -4.461 1.584 5.817 1.00 0.84 H new ATOM 0 HA ASP A 45 -5.139 4.392 6.122 1.00 0.97 H new ATOM 0 HB2 ASP A 45 -6.620 2.233 5.786 1.00 1.06 H new ATOM 0 HB3 ASP A 45 -6.320 1.951 7.489 1.00 1.06 H new ATOM 690 N GLN A 46 -3.056 3.794 8.015 1.00 0.95 N ATOM 691 CA GLN A 46 -2.274 4.041 9.207 1.00 1.01 C ATOM 692 C GLN A 46 -1.130 4.976 8.809 1.00 0.98 C ATOM 693 O GLN A 46 -1.128 6.151 9.166 1.00 1.12 O ATOM 694 CB GLN A 46 -1.821 2.703 9.815 1.00 1.03 C ATOM 695 CG GLN A 46 -1.730 2.791 11.341 1.00 1.19 C ATOM 696 CD GLN A 46 -1.314 1.457 11.960 1.00 1.51 C ATOM 697 OE1 GLN A 46 -1.282 0.423 11.302 1.00 2.38 O ATOM 698 NE2 GLN A 46 -0.977 1.454 13.242 1.00 2.32 N ATOM 0 H GLN A 46 -2.480 3.701 7.179 1.00 0.95 H new ATOM 0 HA GLN A 46 -2.847 4.532 9.994 1.00 1.01 H new ATOM 0 HB2 GLN A 46 -2.522 1.917 9.535 1.00 1.03 H new ATOM 0 HB3 GLN A 46 -0.850 2.425 9.406 1.00 1.03 H new ATOM 0 HG2 GLN A 46 -1.011 3.561 11.619 1.00 1.19 H new ATOM 0 HG3 GLN A 46 -2.695 3.095 11.746 1.00 1.19 H new ATOM 0 HE21 GLN A 46 -1.007 2.320 13.779 1.00 2.32 H new ATOM 0 HE22 GLN A 46 -0.687 0.585 13.691 1.00 2.32 H new ATOM 707 N ARG A 47 -0.182 4.504 7.993 1.00 0.96 N ATOM 708 CA ARG A 47 0.902 5.363 7.518 1.00 0.99 C ATOM 709 C ARG A 47 0.376 6.521 6.682 1.00 1.03 C ATOM 710 O ARG A 47 0.957 7.602 6.718 1.00 1.18 O ATOM 711 CB ARG A 47 1.959 4.551 6.778 1.00 0.95 C ATOM 712 CG ARG A 47 3.083 5.404 6.169 1.00 1.00 C ATOM 713 CD ARG A 47 4.149 4.501 5.537 1.00 1.23 C ATOM 714 NE ARG A 47 5.235 5.277 4.918 1.00 1.38 N ATOM 715 CZ ARG A 47 5.215 5.834 3.698 1.00 2.27 C ATOM 716 NH1 ARG A 47 6.287 6.487 3.246 1.00 2.81 N ATOM 717 NH2 ARG A 47 4.127 5.740 2.933 1.00 3.50 N ATOM 0 H ARG A 47 -0.144 3.543 7.652 1.00 0.96 H new ATOM 0 HA ARG A 47 1.385 5.804 8.390 1.00 0.99 H new ATOM 0 HB2 ARG A 47 2.397 3.828 7.467 1.00 0.95 H new ATOM 0 HB3 ARG A 47 1.476 3.982 5.983 1.00 0.95 H new ATOM 0 HG2 ARG A 47 2.672 6.076 5.416 1.00 1.00 H new ATOM 0 HG3 ARG A 47 3.535 6.028 6.940 1.00 1.00 H new ATOM 0 HD2 ARG A 47 4.564 3.842 6.300 1.00 1.23 H new ATOM 0 HD3 ARG A 47 3.684 3.864 4.784 1.00 1.23 H new ATOM 0 HE ARG A 47 6.084 5.403 5.469 1.00 1.38 H new ATOM 0 HH11 ARG A 47 7.121 6.562 3.828 1.00 2.81 H new ATOM 0 HH12 ARG A 47 6.272 6.911 2.318 1.00 2.81 H new ATOM 0 HH21 ARG A 47 3.305 5.243 3.275 1.00 3.50 H new ATOM 0 HH22 ARG A 47 4.117 6.165 2.006 1.00 3.50 H new ATOM 731 N LEU A 48 -0.687 6.314 5.905 1.00 0.97 N ATOM 732 CA LEU A 48 -1.205 7.379 5.063 1.00 1.07 C ATOM 733 C LEU A 48 -2.343 8.132 5.764 1.00 1.19 C ATOM 734 O LEU A 48 -3.056 8.856 5.085 1.00 1.51 O ATOM 735 CB LEU A 48 -1.642 6.843 3.682 1.00 1.06 C ATOM 736 CG LEU A 48 -0.549 6.230 2.781 1.00 1.00 C ATOM 737 CD1 LEU A 48 0.614 7.198 2.540 1.00 1.23 C ATOM 738 CD2 LEU A 48 0.034 4.900 3.272 1.00 0.91 C ATOM 0 H LEU A 48 -1.196 5.432 5.844 1.00 0.97 H new ATOM 0 HA LEU A 48 -0.398 8.091 4.891 1.00 1.07 H new ATOM 0 HB2 LEU A 48 -2.410 6.087 3.842 1.00 1.06 H new ATOM 0 HB3 LEU A 48 -2.110 7.662 3.135 1.00 1.06 H new ATOM 0 HG LEU A 48 -1.085 6.030 1.853 1.00 1.00 H new ATOM 0 HD11 LEU A 48 1.357 6.722 1.901 1.00 1.23 H new ATOM 0 HD12 LEU A 48 0.242 8.100 2.054 1.00 1.23 H new ATOM 0 HD13 LEU A 48 1.071 7.462 3.494 1.00 1.23 H new ATOM 0 HD21 LEU A 48 0.793 4.554 2.570 1.00 0.91 H new ATOM 0 HD22 LEU A 48 0.486 5.041 4.254 1.00 0.91 H new ATOM 0 HD23 LEU A 48 -0.761 4.158 3.342 1.00 0.91 H new ATOM 750 N ILE A 49 -2.509 8.046 7.094 1.00 1.29 N ATOM 751 CA ILE A 49 -3.527 8.846 7.786 1.00 1.33 C ATOM 752 C ILE A 49 -3.298 10.330 7.490 1.00 1.17 C ATOM 753 O ILE A 49 -4.180 11.025 6.999 1.00 1.33 O ATOM 754 CB ILE A 49 -3.536 8.575 9.307 1.00 1.73 C ATOM 755 CG1 ILE A 49 -4.150 7.195 9.601 1.00 1.36 C ATOM 756 CG2 ILE A 49 -4.349 9.660 10.038 1.00 2.89 C ATOM 757 CD1 ILE A 49 -3.836 6.706 11.023 1.00 2.65 C ATOM 0 H ILE A 49 -1.959 7.439 7.702 1.00 1.29 H new ATOM 0 HA ILE A 49 -4.508 8.554 7.411 1.00 1.33 H new ATOM 0 HB ILE A 49 -2.506 8.594 9.664 1.00 1.73 H new ATOM 0 HG12 ILE A 49 -5.231 7.245 9.467 1.00 1.36 H new ATOM 0 HG13 ILE A 49 -3.773 6.471 8.879 1.00 1.36 H new ATOM 0 HG21 ILE A 49 -4.347 9.457 11.109 1.00 2.89 H new ATOM 0 HG22 ILE A 49 -3.901 10.636 9.853 1.00 2.89 H new ATOM 0 HG23 ILE A 49 -5.375 9.656 9.670 1.00 2.89 H new ATOM 0 HD11 ILE A 49 -4.292 5.728 11.180 1.00 2.65 H new ATOM 0 HD12 ILE A 49 -2.756 6.628 11.151 1.00 2.65 H new ATOM 0 HD13 ILE A 49 -4.237 7.414 11.748 1.00 2.65 H new ATOM 769 N THR A 50 -2.101 10.835 7.787 1.00 2.05 N ATOM 770 CA THR A 50 -1.796 12.243 7.571 1.00 2.24 C ATOM 771 C THR A 50 -1.299 12.462 6.135 1.00 1.90 C ATOM 772 O THR A 50 -0.406 13.280 5.909 1.00 2.56 O ATOM 773 CB THR A 50 -0.813 12.721 8.658 1.00 2.78 C ATOM 774 OG1 THR A 50 -0.566 14.105 8.547 1.00 3.91 O ATOM 775 CG2 THR A 50 0.528 11.977 8.661 1.00 3.92 C ATOM 0 H THR A 50 -1.332 10.290 8.176 1.00 2.05 H new ATOM 0 HA THR A 50 -2.692 12.855 7.669 1.00 2.24 H new ATOM 0 HB THR A 50 -1.310 12.496 9.602 1.00 2.78 H new ATOM 0 HG1 THR A 50 -0.340 14.324 7.619 1.00 3.91 H new ATOM 0 HG21 THR A 50 1.162 12.373 9.455 1.00 3.92 H new ATOM 0 HG22 THR A 50 0.354 10.914 8.831 1.00 3.92 H new ATOM 0 HG23 THR A 50 1.022 12.114 7.699 1.00 3.92 H new ATOM 783 N ASN A 51 -1.839 11.741 5.149 1.00 1.12 N ATOM 784 CA ASN A 51 -1.379 11.852 3.774 1.00 0.88 C ATOM 785 C ASN A 51 -2.508 11.422 2.833 1.00 0.85 C ATOM 786 O ASN A 51 -3.549 10.982 3.301 1.00 1.40 O ATOM 787 CB ASN A 51 -0.126 10.979 3.608 1.00 0.94 C ATOM 788 CG ASN A 51 0.748 11.461 2.464 1.00 1.17 C ATOM 789 OD1 ASN A 51 0.430 12.440 1.803 1.00 1.30 O ATOM 790 ND2 ASN A 51 1.861 10.789 2.211 1.00 1.94 N ATOM 0 H ASN A 51 -2.598 11.073 5.285 1.00 1.12 H new ATOM 0 HA ASN A 51 -1.115 12.880 3.526 1.00 0.88 H new ATOM 0 HB2 ASN A 51 0.449 10.988 4.534 1.00 0.94 H new ATOM 0 HB3 ASN A 51 -0.424 9.946 3.428 1.00 0.94 H new ATOM 0 HD21 ASN A 51 2.474 11.085 1.451 1.00 1.94 H new ATOM 0 HD22 ASN A 51 2.105 9.976 2.776 1.00 1.94 H new ATOM 797 N LYS A 52 -2.350 11.560 1.512 1.00 0.67 N ATOM 798 CA LYS A 52 -3.388 11.161 0.553 1.00 0.86 C ATOM 799 C LYS A 52 -2.861 11.226 -0.875 1.00 1.02 C ATOM 800 O LYS A 52 -3.518 11.757 -1.763 1.00 1.30 O ATOM 801 CB LYS A 52 -4.636 12.051 0.704 1.00 1.08 C ATOM 802 CG LYS A 52 -4.319 13.550 0.606 1.00 2.09 C ATOM 803 CD LYS A 52 -5.165 14.330 1.611 1.00 2.49 C ATOM 804 CE LYS A 52 -4.669 15.778 1.640 1.00 3.94 C ATOM 805 NZ LYS A 52 -5.752 16.719 1.988 1.00 4.57 N ATOM 0 H LYS A 52 -1.510 11.946 1.081 1.00 0.67 H new ATOM 0 HA LYS A 52 -3.668 10.130 0.768 1.00 0.86 H new ATOM 0 HB2 LYS A 52 -5.359 11.787 -0.068 1.00 1.08 H new ATOM 0 HB3 LYS A 52 -5.107 11.847 1.666 1.00 1.08 H new ATOM 0 HG2 LYS A 52 -3.260 13.720 0.801 1.00 2.09 H new ATOM 0 HG3 LYS A 52 -4.519 13.907 -0.404 1.00 2.09 H new ATOM 0 HD2 LYS A 52 -6.217 14.295 1.329 1.00 2.49 H new ATOM 0 HD3 LYS A 52 -5.086 13.882 2.602 1.00 2.49 H new ATOM 0 HE2 LYS A 52 -3.859 15.871 2.364 1.00 3.94 H new ATOM 0 HE3 LYS A 52 -4.257 16.041 0.666 1.00 3.94 H new ATOM 0 HZ1 LYS A 52 -5.379 17.690 1.998 1.00 4.57 H new ATOM 0 HZ2 LYS A 52 -6.513 16.648 1.283 1.00 4.57 H new ATOM 0 HZ3 LYS A 52 -6.128 16.483 2.929 1.00 4.57 H new ATOM 819 N LYS A 53 -1.674 10.680 -1.118 1.00 1.00 N ATOM 820 CA LYS A 53 -0.993 10.784 -2.410 1.00 1.13 C ATOM 821 C LYS A 53 0.036 9.672 -2.504 1.00 1.04 C ATOM 822 O LYS A 53 0.324 9.027 -1.497 1.00 1.25 O ATOM 823 CB LYS A 53 -0.356 12.173 -2.580 1.00 1.29 C ATOM 824 CG LYS A 53 0.543 12.522 -1.388 1.00 1.56 C ATOM 825 CD LYS A 53 0.947 13.995 -1.346 1.00 1.95 C ATOM 826 CE LYS A 53 2.229 14.241 -2.140 1.00 2.72 C ATOM 827 NZ LYS A 53 2.670 15.645 -2.007 1.00 3.24 N ATOM 0 H LYS A 53 -1.151 10.149 -0.421 1.00 1.00 H new ATOM 0 HA LYS A 53 -1.711 10.670 -3.222 1.00 1.13 H new ATOM 0 HB2 LYS A 53 0.229 12.197 -3.499 1.00 1.29 H new ATOM 0 HB3 LYS A 53 -1.139 12.925 -2.681 1.00 1.29 H new ATOM 0 HG2 LYS A 53 0.024 12.268 -0.464 1.00 1.56 H new ATOM 0 HG3 LYS A 53 1.442 11.907 -1.428 1.00 1.56 H new ATOM 0 HD2 LYS A 53 0.142 14.607 -1.752 1.00 1.95 H new ATOM 0 HD3 LYS A 53 1.092 14.305 -0.311 1.00 1.95 H new ATOM 0 HE2 LYS A 53 3.015 13.574 -1.786 1.00 2.72 H new ATOM 0 HE3 LYS A 53 2.061 14.006 -3.191 1.00 2.72 H new ATOM 0 HZ1 LYS A 53 3.542 15.788 -2.555 1.00 3.24 H new ATOM 0 HZ2 LYS A 53 1.927 16.278 -2.367 1.00 3.24 H new ATOM 0 HZ3 LYS A 53 2.851 15.859 -1.005 1.00 3.24 H new ATOM 841 N CYS A 54 0.575 9.457 -3.701 1.00 0.84 N ATOM 842 CA CYS A 54 1.539 8.407 -3.976 1.00 0.91 C ATOM 843 C CYS A 54 2.907 9.087 -4.060 1.00 0.98 C ATOM 844 O CYS A 54 3.204 9.698 -5.085 1.00 1.36 O ATOM 845 CB CYS A 54 1.133 7.796 -5.325 1.00 1.10 C ATOM 846 SG CYS A 54 1.885 6.147 -5.580 1.00 0.91 S ATOM 0 H CYS A 54 0.347 10.021 -4.520 1.00 0.84 H new ATOM 0 HA CYS A 54 1.574 7.624 -3.219 1.00 0.91 H new ATOM 0 HB2 CYS A 54 0.047 7.712 -5.373 1.00 1.10 H new ATOM 0 HB3 CYS A 54 1.437 8.463 -6.132 1.00 1.10 H new ATOM 851 N PRO A 55 3.739 9.047 -3.007 1.00 1.29 N ATOM 852 CA PRO A 55 5.035 9.711 -2.999 1.00 1.54 C ATOM 853 C PRO A 55 6.058 8.847 -3.743 1.00 1.77 C ATOM 854 O PRO A 55 6.982 8.313 -3.135 1.00 3.12 O ATOM 855 CB PRO A 55 5.369 9.871 -1.512 1.00 2.52 C ATOM 856 CG PRO A 55 4.744 8.621 -0.893 1.00 2.80 C ATOM 857 CD PRO A 55 3.464 8.453 -1.709 1.00 2.03 C ATOM 0 HA PRO A 55 5.039 10.677 -3.504 1.00 1.54 H new ATOM 0 HB2 PRO A 55 6.445 9.914 -1.341 1.00 2.52 H new ATOM 0 HB3 PRO A 55 4.944 10.785 -1.097 1.00 2.52 H new ATOM 0 HG2 PRO A 55 5.398 7.754 -0.981 1.00 2.80 H new ATOM 0 HG3 PRO A 55 4.534 8.755 0.168 1.00 2.80 H new ATOM 0 HD2 PRO A 55 3.200 7.400 -1.809 1.00 2.03 H new ATOM 0 HD3 PRO A 55 2.623 8.948 -1.223 1.00 2.03 H new ATOM 865 N ILE A 56 5.857 8.688 -5.052 1.00 1.52 N ATOM 866 CA ILE A 56 6.617 7.831 -5.955 1.00 1.98 C ATOM 867 C ILE A 56 5.957 7.887 -7.336 1.00 1.71 C ATOM 868 O ILE A 56 6.661 7.991 -8.336 1.00 2.23 O ATOM 869 CB ILE A 56 6.781 6.391 -5.411 1.00 2.89 C ATOM 870 CG1 ILE A 56 7.437 5.494 -6.477 1.00 3.34 C ATOM 871 CG2 ILE A 56 5.460 5.779 -4.920 1.00 4.45 C ATOM 872 CD1 ILE A 56 8.115 4.262 -5.865 1.00 4.60 C ATOM 0 H ILE A 56 5.112 9.187 -5.538 1.00 1.52 H new ATOM 0 HA ILE A 56 7.639 8.201 -6.038 1.00 1.98 H new ATOM 0 HB ILE A 56 7.431 6.452 -4.538 1.00 2.89 H new ATOM 0 HG12 ILE A 56 6.681 5.172 -7.193 1.00 3.34 H new ATOM 0 HG13 ILE A 56 8.175 6.073 -7.032 1.00 3.34 H new ATOM 0 HG21 ILE A 56 5.642 4.770 -4.551 1.00 4.45 H new ATOM 0 HG22 ILE A 56 5.052 6.391 -4.116 1.00 4.45 H new ATOM 0 HG23 ILE A 56 4.748 5.741 -5.744 1.00 4.45 H new ATOM 0 HD11 ILE A 56 8.562 3.662 -6.657 1.00 4.60 H new ATOM 0 HD12 ILE A 56 8.891 4.582 -5.170 1.00 4.60 H new ATOM 0 HD13 ILE A 56 7.374 3.666 -5.333 1.00 4.60 H new ATOM 884 N CYS A 57 4.619 7.846 -7.394 1.00 1.45 N ATOM 885 CA CYS A 57 3.875 8.104 -8.613 1.00 1.22 C ATOM 886 C CYS A 57 3.511 9.592 -8.569 1.00 1.28 C ATOM 887 O CYS A 57 4.289 10.426 -8.108 1.00 2.51 O ATOM 888 CB CYS A 57 2.617 7.206 -8.642 1.00 1.18 C ATOM 889 SG CYS A 57 2.984 5.567 -7.972 1.00 1.24 S ATOM 0 H CYS A 57 4.030 7.632 -6.589 1.00 1.45 H new ATOM 0 HA CYS A 57 4.446 7.879 -9.514 1.00 1.22 H new ATOM 0 HB2 CYS A 57 1.819 7.671 -8.062 1.00 1.18 H new ATOM 0 HB3 CYS A 57 2.254 7.113 -9.666 1.00 1.18 H new ATOM 894 N ARG A 58 2.315 9.940 -9.044 1.00 1.86 N ATOM 895 CA ARG A 58 1.844 11.318 -9.055 1.00 1.96 C ATOM 896 C ARG A 58 0.316 11.328 -9.151 1.00 1.85 C ATOM 897 O ARG A 58 -0.263 11.889 -10.074 1.00 2.34 O ATOM 898 CB ARG A 58 2.564 12.074 -10.199 1.00 2.41 C ATOM 899 CG ARG A 58 3.426 13.234 -9.678 1.00 2.45 C ATOM 900 CD ARG A 58 2.815 14.575 -10.087 1.00 2.51 C ATOM 901 NE ARG A 58 3.482 15.695 -9.409 1.00 2.62 N ATOM 902 CZ ARG A 58 3.307 16.989 -9.709 1.00 3.16 C ATOM 903 NH1 ARG A 58 3.910 17.930 -8.982 1.00 3.47 N ATOM 904 NH2 ARG A 58 2.526 17.337 -10.733 1.00 3.86 N ATOM 0 H ARG A 58 1.648 9.272 -9.431 1.00 1.86 H new ATOM 0 HA ARG A 58 2.088 11.843 -8.132 1.00 1.96 H new ATOM 0 HB2 ARG A 58 3.193 11.377 -10.753 1.00 2.41 H new ATOM 0 HB3 ARG A 58 1.823 12.460 -10.899 1.00 2.41 H new ATOM 0 HG2 ARG A 58 3.505 13.179 -8.592 1.00 2.45 H new ATOM 0 HG3 ARG A 58 4.438 13.151 -10.075 1.00 2.45 H new ATOM 0 HD2 ARG A 58 2.897 14.700 -11.167 1.00 2.51 H new ATOM 0 HD3 ARG A 58 1.752 14.582 -9.845 1.00 2.51 H new ATOM 0 HE ARG A 58 4.128 15.470 -8.652 1.00 2.62 H new ATOM 0 HH11 ARG A 58 4.505 17.665 -8.197 1.00 3.47 H new ATOM 0 HH12 ARG A 58 3.776 18.915 -9.211 1.00 3.47 H new ATOM 0 HH21 ARG A 58 2.062 16.618 -11.288 1.00 3.86 H new ATOM 0 HH22 ARG A 58 2.393 18.322 -10.961 1.00 3.86 H new ATOM 918 N VAL A 59 -0.339 10.683 -8.185 1.00 1.39 N ATOM 919 CA VAL A 59 -1.790 10.567 -8.116 1.00 1.35 C ATOM 920 C VAL A 59 -2.188 10.715 -6.649 1.00 1.12 C ATOM 921 O VAL A 59 -1.433 10.307 -5.761 1.00 0.97 O ATOM 922 CB VAL A 59 -2.227 9.213 -8.714 1.00 1.41 C ATOM 923 CG1 VAL A 59 -3.685 8.850 -8.403 1.00 1.48 C ATOM 924 CG2 VAL A 59 -2.053 9.207 -10.236 1.00 1.72 C ATOM 0 H VAL A 59 0.138 10.217 -7.413 1.00 1.39 H new ATOM 0 HA VAL A 59 -2.290 11.342 -8.697 1.00 1.35 H new ATOM 0 HB VAL A 59 -1.582 8.471 -8.244 1.00 1.41 H new ATOM 0 HG11 VAL A 59 -3.924 7.887 -8.854 1.00 1.48 H new ATOM 0 HG12 VAL A 59 -3.823 8.790 -7.323 1.00 1.48 H new ATOM 0 HG13 VAL A 59 -4.345 9.615 -8.811 1.00 1.48 H new ATOM 0 HG21 VAL A 59 -2.368 8.242 -10.634 1.00 1.72 H new ATOM 0 HG22 VAL A 59 -2.662 9.997 -10.675 1.00 1.72 H new ATOM 0 HG23 VAL A 59 -1.005 9.377 -10.483 1.00 1.72 H new ATOM 934 N ASP A 60 -3.360 11.306 -6.407 1.00 1.16 N ATOM 935 CA ASP A 60 -3.935 11.463 -5.080 1.00 0.95 C ATOM 936 C ASP A 60 -4.784 10.230 -4.782 1.00 0.96 C ATOM 937 O ASP A 60 -5.465 9.706 -5.662 1.00 1.03 O ATOM 938 CB ASP A 60 -4.784 12.737 -4.999 1.00 0.89 C ATOM 939 CG ASP A 60 -3.930 14.008 -4.941 1.00 1.27 C ATOM 940 OD1 ASP A 60 -4.467 15.070 -5.321 1.00 1.96 O ATOM 941 OD2 ASP A 60 -2.751 13.909 -4.525 1.00 2.42 O ATOM 0 H ASP A 60 -3.944 11.695 -7.147 1.00 1.16 H new ATOM 0 HA ASP A 60 -3.140 11.557 -4.341 1.00 0.95 H new ATOM 0 HB2 ASP A 60 -5.444 12.786 -5.865 1.00 0.89 H new ATOM 0 HB3 ASP A 60 -5.421 12.690 -4.115 1.00 0.89 H new ATOM 946 N ILE A 61 -4.711 9.731 -3.549 1.00 0.99 N ATOM 947 CA ILE A 61 -5.325 8.485 -3.136 1.00 1.11 C ATOM 948 C ILE A 61 -6.733 8.749 -2.605 1.00 1.15 C ATOM 949 O ILE A 61 -7.606 7.892 -2.719 1.00 1.37 O ATOM 950 CB ILE A 61 -4.442 7.851 -2.054 1.00 1.07 C ATOM 951 CG1 ILE A 61 -2.956 7.824 -2.410 1.00 1.09 C ATOM 952 CG2 ILE A 61 -4.847 6.420 -1.746 1.00 1.15 C ATOM 953 CD1 ILE A 61 -2.665 7.394 -3.839 1.00 1.14 C ATOM 0 H ILE A 61 -4.208 10.200 -2.795 1.00 0.99 H new ATOM 0 HA ILE A 61 -5.411 7.803 -3.982 1.00 1.11 H new ATOM 0 HB ILE A 61 -4.595 8.495 -1.188 1.00 1.07 H new ATOM 0 HG12 ILE A 61 -2.537 8.817 -2.249 1.00 1.09 H new ATOM 0 HG13 ILE A 61 -2.443 7.147 -1.727 1.00 1.09 H new ATOM 0 HG21 ILE A 61 -4.193 6.015 -0.974 1.00 1.15 H new ATOM 0 HG22 ILE A 61 -5.878 6.402 -1.394 1.00 1.15 H new ATOM 0 HG23 ILE A 61 -4.761 5.815 -2.649 1.00 1.15 H new ATOM 0 HD11 ILE A 61 -1.588 7.402 -4.009 1.00 1.14 H new ATOM 0 HD12 ILE A 61 -3.051 6.388 -4.002 1.00 1.14 H new ATOM 0 HD13 ILE A 61 -3.147 8.084 -4.532 1.00 1.14 H new ATOM 965 N GLU A 62 -6.946 9.921 -2.007 1.00 1.04 N ATOM 966 CA GLU A 62 -8.218 10.314 -1.425 1.00 1.21 C ATOM 967 C GLU A 62 -8.508 11.742 -1.870 1.00 2.22 C ATOM 968 O GLU A 62 -7.578 12.528 -2.048 1.00 3.11 O ATOM 969 CB GLU A 62 -8.163 10.195 0.103 1.00 2.07 C ATOM 970 CG GLU A 62 -9.561 10.399 0.697 1.00 2.28 C ATOM 971 CD GLU A 62 -9.640 9.918 2.145 1.00 3.71 C ATOM 972 OE1 GLU A 62 -9.636 10.774 3.056 1.00 4.53 O ATOM 973 OE2 GLU A 62 -9.747 8.690 2.339 1.00 4.75 O ATOM 0 H GLU A 62 -6.222 10.634 -1.915 1.00 1.04 H new ATOM 0 HA GLU A 62 -9.020 9.658 -1.763 1.00 1.21 H new ATOM 0 HB2 GLU A 62 -7.779 9.215 0.386 1.00 2.07 H new ATOM 0 HB3 GLU A 62 -7.475 10.937 0.509 1.00 2.07 H new ATOM 0 HG2 GLU A 62 -9.825 11.456 0.650 1.00 2.28 H new ATOM 0 HG3 GLU A 62 -10.293 9.861 0.095 1.00 2.28 H new ATOM 980 N ALA A 63 -9.783 12.078 -2.078 1.00 2.87 N ATOM 981 CA ALA A 63 -10.173 13.324 -2.716 1.00 4.19 C ATOM 982 C ALA A 63 -11.490 13.813 -2.117 1.00 4.74 C ATOM 983 O ALA A 63 -12.351 14.320 -2.832 1.00 5.72 O ATOM 984 CB ALA A 63 -10.310 13.076 -4.223 1.00 4.96 C ATOM 0 H ALA A 63 -10.570 11.489 -1.806 1.00 2.87 H new ATOM 0 HA ALA A 63 -9.420 14.094 -2.549 1.00 4.19 H new ATOM 0 HB1 ALA A 63 -10.603 14.001 -4.719 1.00 4.96 H new ATOM 0 HB2 ALA A 63 -9.355 12.736 -4.624 1.00 4.96 H new ATOM 0 HB3 ALA A 63 -11.070 12.314 -4.399 1.00 4.96 H new ATOM 990 N GLN A 64 -11.669 13.642 -0.806 1.00 4.63 N ATOM 991 CA GLN A 64 -12.931 13.954 -0.160 1.00 5.15 C ATOM 992 C GLN A 64 -12.617 14.501 1.228 1.00 6.03 C ATOM 993 O GLN A 64 -11.770 13.941 1.916 1.00 6.62 O ATOM 994 CB GLN A 64 -13.792 12.676 -0.135 1.00 5.44 C ATOM 995 CG GLN A 64 -15.298 12.974 -0.259 1.00 6.06 C ATOM 996 CD GLN A 64 -16.066 11.936 -1.086 1.00 6.53 C ATOM 997 OE1 GLN A 64 -15.507 11.163 -1.853 1.00 6.58 O ATOM 998 NE2 GLN A 64 -17.389 11.920 -0.981 1.00 7.43 N ATOM 0 H GLN A 64 -10.950 13.288 -0.175 1.00 4.63 H new ATOM 0 HA GLN A 64 -13.503 14.713 -0.693 1.00 5.15 H new ATOM 0 HB2 GLN A 64 -13.487 12.021 -0.951 1.00 5.44 H new ATOM 0 HB3 GLN A 64 -13.607 12.136 0.794 1.00 5.44 H new ATOM 0 HG2 GLN A 64 -15.733 13.024 0.739 1.00 6.06 H new ATOM 0 HG3 GLN A 64 -15.429 13.956 -0.713 1.00 6.06 H new ATOM 0 HE21 GLN A 64 -17.858 12.563 -0.343 1.00 7.43 H new ATOM 0 HE22 GLN A 64 -17.937 11.265 -1.539 1.00 7.43 H new ATOM 1007 N LEU A 65 -13.243 15.614 1.628 1.00 6.64 N ATOM 1008 CA LEU A 65 -13.056 16.149 2.975 1.00 7.73 C ATOM 1009 C LEU A 65 -13.601 15.181 4.028 1.00 7.22 C ATOM 1010 O LEU A 65 -12.848 14.784 4.913 1.00 7.56 O ATOM 1011 CB LEU A 65 -13.677 17.548 3.148 1.00 9.26 C ATOM 1012 CG LEU A 65 -12.634 18.669 3.012 1.00 10.45 C ATOM 1013 CD1 LEU A 65 -12.344 18.977 1.541 1.00 11.07 C ATOM 1014 CD2 LEU A 65 -13.137 19.937 3.705 1.00 11.81 C ATOM 0 H LEU A 65 -13.878 16.155 1.041 1.00 6.64 H new ATOM 0 HA LEU A 65 -11.982 16.258 3.122 1.00 7.73 H new ATOM 0 HB2 LEU A 65 -14.460 17.690 2.403 1.00 9.26 H new ATOM 0 HB3 LEU A 65 -14.153 17.614 4.127 1.00 9.26 H new ATOM 0 HG LEU A 65 -11.712 18.330 3.485 1.00 10.45 H new ATOM 0 HD11 LEU A 65 -11.603 19.774 1.475 1.00 11.07 H new ATOM 0 HD12 LEU A 65 -11.960 18.082 1.051 1.00 11.07 H new ATOM 0 HD13 LEU A 65 -13.263 19.295 1.048 1.00 11.07 H new ATOM 0 HD21 LEU A 65 -12.392 20.727 3.604 1.00 11.81 H new ATOM 0 HD22 LEU A 65 -14.071 20.258 3.243 1.00 11.81 H new ATOM 0 HD23 LEU A 65 -13.307 19.731 4.762 1.00 11.81 H new ATOM 1026 N PRO A 66 -14.897 14.826 4.002 1.00 7.06 N ATOM 1027 CA PRO A 66 -15.437 13.916 4.993 1.00 7.22 C ATOM 1028 C PRO A 66 -14.848 12.531 4.741 1.00 6.86 C ATOM 1029 O PRO A 66 -15.018 11.979 3.653 1.00 6.87 O ATOM 1030 CB PRO A 66 -16.955 13.958 4.803 1.00 7.89 C ATOM 1031 CG PRO A 66 -17.121 14.324 3.330 1.00 7.76 C ATOM 1032 CD PRO A 66 -15.922 15.230 3.053 1.00 7.43 C ATOM 0 HA PRO A 66 -15.190 14.183 6.021 1.00 7.22 H new ATOM 0 HB2 PRO A 66 -17.415 12.997 5.032 1.00 7.89 H new ATOM 0 HB3 PRO A 66 -17.421 14.697 5.455 1.00 7.89 H new ATOM 0 HG2 PRO A 66 -17.112 13.440 2.693 1.00 7.76 H new ATOM 0 HG3 PRO A 66 -18.064 14.839 3.148 1.00 7.76 H new ATOM 0 HD2 PRO A 66 -15.573 15.115 2.027 1.00 7.43 H new ATOM 0 HD3 PRO A 66 -16.186 16.279 3.184 1.00 7.43 H new ATOM 1040 N SER A 67 -14.152 11.982 5.735 1.00 7.31 N ATOM 1041 CA SER A 67 -13.512 10.679 5.626 1.00 8.01 C ATOM 1042 C SER A 67 -13.568 10.007 6.996 1.00 8.87 C ATOM 1043 O SER A 67 -14.302 9.037 7.176 1.00 9.50 O ATOM 1044 CB SER A 67 -12.089 10.840 5.074 1.00 8.41 C ATOM 1045 OG SER A 67 -11.511 9.575 4.838 1.00 9.50 O ATOM 0 H SER A 67 -14.018 12.432 6.640 1.00 7.31 H new ATOM 0 HA SER A 67 -14.032 10.033 4.919 1.00 8.01 H new ATOM 0 HB2 SER A 67 -12.113 11.415 4.148 1.00 8.41 H new ATOM 0 HB3 SER A 67 -11.478 11.401 5.782 1.00 8.41 H new ATOM 0 HG SER A 67 -10.535 9.661 4.813 1.00 9.50 H new ATOM 1051 N GLU A 68 -12.879 10.568 7.995 1.00 9.34 N ATOM 1052 CA GLU A 68 -12.956 10.092 9.366 1.00 10.43 C ATOM 1053 C GLU A 68 -13.374 11.272 10.237 1.00 10.25 C ATOM 1054 O GLU A 68 -12.554 12.132 10.555 1.00 10.70 O ATOM 1055 CB GLU A 68 -11.616 9.476 9.793 1.00 11.51 C ATOM 1056 CG GLU A 68 -11.738 8.873 11.199 1.00 13.01 C ATOM 1057 CD GLU A 68 -10.463 8.159 11.653 1.00 14.24 C ATOM 1058 OE1 GLU A 68 -9.375 8.755 11.500 1.00 14.48 O ATOM 1059 OE2 GLU A 68 -10.600 7.032 12.182 1.00 15.18 O ATOM 0 H GLU A 68 -12.254 11.364 7.868 1.00 9.34 H new ATOM 0 HA GLU A 68 -13.695 9.298 9.473 1.00 10.43 H new ATOM 0 HB2 GLU A 68 -11.318 8.705 9.083 1.00 11.51 H new ATOM 0 HB3 GLU A 68 -10.836 10.238 9.782 1.00 11.51 H new ATOM 0 HG2 GLU A 68 -11.978 9.665 11.909 1.00 13.01 H new ATOM 0 HG3 GLU A 68 -12.569 8.168 11.216 1.00 13.01 H new ATOM 1066 N SER A 69 -14.660 11.308 10.602 1.00 10.09 N ATOM 1067 CA SER A 69 -15.324 12.460 11.208 1.00 10.27 C ATOM 1068 C SER A 69 -14.964 13.754 10.473 1.00 9.96 C ATOM 1069 O SER A 69 -15.063 13.728 9.224 1.00 9.84 O ATOM 1070 CB SER A 69 -15.097 12.494 12.729 1.00 10.95 C ATOM 1071 OG SER A 69 -13.767 12.178 13.079 1.00 11.31 O ATOM 1072 OXT SER A 69 -14.656 14.745 11.170 1.00 10.27 O ATOM 0 H SER A 69 -15.284 10.510 10.479 1.00 10.09 H new ATOM 0 HA SER A 69 -16.402 12.358 11.087 1.00 10.27 H new ATOM 0 HB2 SER A 69 -15.345 13.485 13.109 1.00 10.95 H new ATOM 0 HB3 SER A 69 -15.775 11.789 13.211 1.00 10.95 H new ATOM 0 HG SER A 69 -13.151 12.736 12.560 1.00 11.31 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.846 -3.860 6.789 1.00 0.83 ZN HETATM 1080 ZN ZN A 102 1.368 4.500 -7.037 1.00 0.83 ZN