USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 51 ASN : amide:sc= 0.149 K(o=0.15,f=-4.4!) USER MOD Set 1.2: A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0371) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.44 (180deg=0.447) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.19) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.29 USER MOD Single : A 13 THR OG1 : rot 70:sc= 0.582 USER MOD Single : A 16 LYS NZ :NH3+ -142:sc= 0.0494! (180deg=-0.483!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -75:sc= 0.718 USER MOD Single : A 36 MET CE :methyl -160:sc= -0.0221 (180deg=-0.28) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.232 X(o=0.23,f=-0.043) USER MOD Single : A 67 SER OG : rot -61:sc= 0.162 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.059 -32.225 -10.931 1.00 18.57 N ATOM 2 CA MET A 1 19.319 -31.458 -9.913 1.00 18.12 C ATOM 3 C MET A 1 19.816 -31.883 -8.542 1.00 16.72 C ATOM 4 O MET A 1 20.334 -32.989 -8.421 1.00 16.94 O ATOM 5 CB MET A 1 17.802 -31.687 -10.000 1.00 18.89 C ATOM 6 CG MET A 1 17.190 -31.094 -11.271 1.00 20.66 C ATOM 7 SD MET A 1 17.536 -32.012 -12.795 1.00 21.87 S ATOM 8 CE MET A 1 16.767 -30.896 -13.999 1.00 23.63 C ATOM 0 H1 MET A 1 19.470 -32.331 -11.782 1.00 18.57 H new ATOM 0 H2 MET A 1 20.935 -31.721 -11.177 1.00 18.57 H new ATOM 0 H3 MET A 1 20.295 -33.165 -10.554 1.00 18.57 H new ATOM 0 HA MET A 1 19.496 -30.397 -10.087 1.00 18.12 H new ATOM 0 HB2 MET A 1 17.597 -32.757 -9.968 1.00 18.89 H new ATOM 0 HB3 MET A 1 17.321 -31.244 -9.128 1.00 18.89 H new ATOM 0 HG2 MET A 1 16.110 -31.032 -11.140 1.00 20.66 H new ATOM 0 HG3 MET A 1 17.555 -30.074 -11.389 1.00 20.66 H new ATOM 0 HE1 MET A 1 16.885 -31.306 -15.002 1.00 23.63 H new ATOM 0 HE2 MET A 1 15.706 -30.791 -13.772 1.00 23.63 H new ATOM 0 HE3 MET A 1 17.247 -29.919 -13.948 1.00 23.63 H new ATOM 20 N LYS A 2 19.643 -31.030 -7.532 1.00 15.54 N ATOM 21 CA LYS A 2 19.813 -31.322 -6.117 1.00 14.54 C ATOM 22 C LYS A 2 18.849 -30.386 -5.395 1.00 13.64 C ATOM 23 O LYS A 2 18.432 -29.377 -5.964 1.00 14.03 O ATOM 24 CB LYS A 2 21.254 -31.067 -5.647 1.00 14.59 C ATOM 25 CG LYS A 2 22.210 -32.220 -5.997 1.00 15.12 C ATOM 26 CD LYS A 2 23.063 -32.624 -4.789 1.00 15.21 C ATOM 27 CE LYS A 2 22.178 -33.342 -3.762 1.00 15.44 C ATOM 28 NZ LYS A 2 22.924 -33.702 -2.539 1.00 15.63 N ATOM 0 H LYS A 2 19.364 -30.062 -7.694 1.00 15.54 H new ATOM 0 HA LYS A 2 19.611 -32.373 -5.910 1.00 14.54 H new ATOM 0 HB2 LYS A 2 21.621 -30.147 -6.101 1.00 14.59 H new ATOM 0 HB3 LYS A 2 21.257 -30.914 -4.568 1.00 14.59 H new ATOM 0 HG2 LYS A 2 21.635 -33.079 -6.342 1.00 15.12 H new ATOM 0 HG3 LYS A 2 22.860 -31.920 -6.819 1.00 15.12 H new ATOM 0 HD2 LYS A 2 23.876 -33.277 -5.105 1.00 15.21 H new ATOM 0 HD3 LYS A 2 23.519 -31.742 -4.340 1.00 15.21 H new ATOM 0 HE2 LYS A 2 21.337 -32.701 -3.497 1.00 15.44 H new ATOM 0 HE3 LYS A 2 21.762 -34.244 -4.211 1.00 15.44 H new ATOM 0 HZ1 LYS A 2 22.287 -34.185 -1.873 1.00 15.63 H new ATOM 0 HZ2 LYS A 2 23.711 -34.335 -2.786 1.00 15.63 H new ATOM 0 HZ3 LYS A 2 23.300 -32.840 -2.095 1.00 15.63 H new ATOM 42 N GLN A 3 18.454 -30.730 -4.176 1.00 12.81 N ATOM 43 CA GLN A 3 17.468 -29.956 -3.449 1.00 12.17 C ATOM 44 C GLN A 3 18.182 -28.815 -2.730 1.00 11.39 C ATOM 45 O GLN A 3 18.332 -28.834 -1.513 1.00 11.73 O ATOM 46 CB GLN A 3 16.733 -30.916 -2.510 1.00 12.65 C ATOM 47 CG GLN A 3 15.590 -30.267 -1.715 1.00 12.79 C ATOM 48 CD GLN A 3 14.523 -29.677 -2.630 1.00 13.60 C ATOM 49 OE1 GLN A 3 14.064 -30.330 -3.559 1.00 14.38 O ATOM 50 NE2 GLN A 3 14.116 -28.435 -2.401 1.00 13.75 N ATOM 0 H GLN A 3 18.806 -31.544 -3.672 1.00 12.81 H new ATOM 0 HA GLN A 3 16.724 -29.495 -4.098 1.00 12.17 H new ATOM 0 HB2 GLN A 3 16.330 -31.742 -3.096 1.00 12.65 H new ATOM 0 HB3 GLN A 3 17.451 -31.343 -1.810 1.00 12.65 H new ATOM 0 HG2 GLN A 3 15.136 -31.011 -1.060 1.00 12.79 H new ATOM 0 HG3 GLN A 3 15.993 -29.482 -1.075 1.00 12.79 H new ATOM 0 HE21 GLN A 3 14.509 -27.905 -1.623 1.00 13.75 H new ATOM 0 HE22 GLN A 3 13.411 -28.010 -3.003 1.00 13.75 H new ATOM 59 N ASP A 4 18.619 -27.817 -3.496 1.00 10.73 N ATOM 60 CA ASP A 4 19.391 -26.693 -3.000 1.00 10.28 C ATOM 61 C ASP A 4 18.937 -25.486 -3.811 1.00 9.89 C ATOM 62 O ASP A 4 19.228 -25.405 -5.003 1.00 10.43 O ATOM 63 CB ASP A 4 20.893 -26.946 -3.203 1.00 10.44 C ATOM 64 CG ASP A 4 21.447 -28.034 -2.281 1.00 10.76 C ATOM 65 OD1 ASP A 4 21.592 -29.187 -2.758 1.00 11.28 O ATOM 66 OD2 ASP A 4 21.749 -27.689 -1.117 1.00 10.97 O ATOM 0 H ASP A 4 18.439 -27.772 -4.499 1.00 10.73 H new ATOM 0 HA ASP A 4 19.235 -26.537 -1.933 1.00 10.28 H new ATOM 0 HB2 ASP A 4 21.071 -27.231 -4.240 1.00 10.44 H new ATOM 0 HB3 ASP A 4 21.439 -26.018 -3.030 1.00 10.44 H new ATOM 71 N GLY A 5 18.171 -24.578 -3.206 1.00 9.30 N ATOM 72 CA GLY A 5 17.590 -23.451 -3.913 1.00 8.94 C ATOM 73 C GLY A 5 16.265 -23.079 -3.264 1.00 8.19 C ATOM 74 O GLY A 5 16.048 -23.379 -2.092 1.00 8.35 O ATOM 0 H GLY A 5 17.940 -24.608 -2.213 1.00 9.30 H new ATOM 0 HA2 GLY A 5 18.272 -22.601 -3.888 1.00 8.94 H new ATOM 0 HA3 GLY A 5 17.436 -23.705 -4.962 1.00 8.94 H new ATOM 78 N GLU A 6 15.379 -22.453 -4.037 1.00 7.78 N ATOM 79 CA GLU A 6 14.013 -22.140 -3.653 1.00 7.25 C ATOM 80 C GLU A 6 13.168 -22.316 -4.915 1.00 7.21 C ATOM 81 O GLU A 6 13.710 -22.245 -6.019 1.00 7.91 O ATOM 82 CB GLU A 6 13.959 -20.698 -3.113 1.00 7.51 C ATOM 83 CG GLU A 6 12.569 -20.238 -2.650 1.00 8.19 C ATOM 84 CD GLU A 6 12.013 -21.132 -1.541 1.00 8.31 C ATOM 85 OE1 GLU A 6 11.968 -20.662 -0.383 1.00 8.95 O ATOM 86 OE2 GLU A 6 11.672 -22.291 -1.870 1.00 8.21 O ATOM 0 H GLU A 6 15.606 -22.141 -4.981 1.00 7.78 H new ATOM 0 HA GLU A 6 13.636 -22.788 -2.862 1.00 7.25 H new ATOM 0 HB2 GLU A 6 14.653 -20.611 -2.277 1.00 7.51 H new ATOM 0 HB3 GLU A 6 14.311 -20.020 -3.890 1.00 7.51 H new ATOM 0 HG2 GLU A 6 12.627 -19.210 -2.293 1.00 8.19 H new ATOM 0 HG3 GLU A 6 11.884 -20.243 -3.498 1.00 8.19 H new ATOM 93 N GLU A 7 11.862 -22.536 -4.776 1.00 7.01 N ATOM 94 CA GLU A 7 10.937 -22.576 -5.899 1.00 7.50 C ATOM 95 C GLU A 7 9.730 -21.724 -5.520 1.00 6.82 C ATOM 96 O GLU A 7 9.368 -21.650 -4.346 1.00 6.62 O ATOM 97 CB GLU A 7 10.551 -24.029 -6.235 1.00 8.94 C ATOM 98 CG GLU A 7 11.062 -24.457 -7.617 1.00 10.19 C ATOM 99 CD GLU A 7 10.309 -23.774 -8.763 1.00 11.28 C ATOM 100 OE1 GLU A 7 9.889 -24.504 -9.688 1.00 12.50 O ATOM 101 OE2 GLU A 7 10.168 -22.532 -8.701 1.00 11.15 O ATOM 0 H GLU A 7 11.416 -22.692 -3.872 1.00 7.01 H new ATOM 0 HA GLU A 7 11.395 -22.174 -6.803 1.00 7.50 H new ATOM 0 HB2 GLU A 7 10.958 -24.697 -5.476 1.00 8.94 H new ATOM 0 HB3 GLU A 7 9.466 -24.132 -6.202 1.00 8.94 H new ATOM 0 HG2 GLU A 7 12.124 -24.224 -7.695 1.00 10.19 H new ATOM 0 HG3 GLU A 7 10.965 -25.538 -7.717 1.00 10.19 H new ATOM 108 N GLY A 8 9.130 -21.032 -6.485 1.00 6.93 N ATOM 109 CA GLY A 8 8.160 -19.998 -6.180 1.00 6.39 C ATOM 110 C GLY A 8 7.458 -19.538 -7.448 1.00 6.74 C ATOM 111 O GLY A 8 7.071 -20.353 -8.280 1.00 7.84 O ATOM 0 H GLY A 8 9.301 -21.172 -7.481 1.00 6.93 H new ATOM 0 HA2 GLY A 8 7.427 -20.377 -5.468 1.00 6.39 H new ATOM 0 HA3 GLY A 8 8.658 -19.152 -5.705 1.00 6.39 H new ATOM 115 N THR A 9 7.247 -18.231 -7.589 1.00 6.15 N ATOM 116 CA THR A 9 6.537 -17.687 -8.731 1.00 6.77 C ATOM 117 C THR A 9 6.909 -16.206 -8.853 1.00 5.74 C ATOM 118 O THR A 9 8.074 -15.863 -8.659 1.00 4.99 O ATOM 119 CB THR A 9 5.037 -18.013 -8.584 1.00 8.10 C ATOM 120 OG1 THR A 9 4.307 -17.592 -9.718 1.00 9.04 O ATOM 121 CG2 THR A 9 4.415 -17.423 -7.318 1.00 8.05 C ATOM 0 H THR A 9 7.562 -17.530 -6.919 1.00 6.15 H new ATOM 0 HA THR A 9 6.822 -18.137 -9.682 1.00 6.77 H new ATOM 0 HB THR A 9 4.977 -19.098 -8.499 1.00 8.10 H new ATOM 0 HG1 THR A 9 3.360 -17.813 -9.598 1.00 9.04 H new ATOM 0 HG21 THR A 9 3.359 -17.688 -7.274 1.00 8.05 H new ATOM 0 HG22 THR A 9 4.926 -17.822 -6.442 1.00 8.05 H new ATOM 0 HG23 THR A 9 4.516 -16.338 -7.335 1.00 8.05 H new ATOM 129 N GLU A 10 5.949 -15.347 -9.194 1.00 6.11 N ATOM 130 CA GLU A 10 6.104 -13.907 -9.313 1.00 5.43 C ATOM 131 C GLU A 10 6.744 -13.324 -8.047 1.00 4.15 C ATOM 132 O GLU A 10 6.446 -13.769 -6.938 1.00 4.26 O ATOM 133 CB GLU A 10 4.707 -13.312 -9.567 1.00 6.42 C ATOM 134 CG GLU A 10 4.744 -11.980 -10.319 1.00 6.53 C ATOM 135 CD GLU A 10 5.202 -12.187 -11.764 1.00 7.30 C ATOM 136 OE1 GLU A 10 6.436 -12.208 -11.972 1.00 7.06 O ATOM 137 OE2 GLU A 10 4.322 -12.359 -12.638 1.00 8.54 O ATOM 0 H GLU A 10 5.000 -15.656 -9.403 1.00 6.11 H new ATOM 0 HA GLU A 10 6.769 -13.657 -10.140 1.00 5.43 H new ATOM 0 HB2 GLU A 10 4.113 -14.027 -10.137 1.00 6.42 H new ATOM 0 HB3 GLU A 10 4.202 -13.168 -8.612 1.00 6.42 H new ATOM 0 HG2 GLU A 10 3.755 -11.523 -10.308 1.00 6.53 H new ATOM 0 HG3 GLU A 10 5.420 -11.290 -9.813 1.00 6.53 H new ATOM 144 N GLU A 11 7.625 -12.331 -8.192 1.00 3.45 N ATOM 145 CA GLU A 11 8.229 -11.637 -7.063 1.00 2.42 C ATOM 146 C GLU A 11 8.699 -10.266 -7.550 1.00 2.48 C ATOM 147 O GLU A 11 8.947 -10.084 -8.739 1.00 4.05 O ATOM 148 CB GLU A 11 9.424 -12.435 -6.498 1.00 2.65 C ATOM 149 CG GLU A 11 9.435 -12.537 -4.960 1.00 2.49 C ATOM 150 CD GLU A 11 9.637 -11.201 -4.232 1.00 3.16 C ATOM 151 OE1 GLU A 11 10.783 -10.843 -3.884 1.00 3.69 O ATOM 152 OE2 GLU A 11 8.647 -10.475 -3.978 1.00 4.19 O ATOM 0 H GLU A 11 7.937 -11.988 -9.100 1.00 3.45 H new ATOM 0 HA GLU A 11 7.496 -11.531 -6.263 1.00 2.42 H new ATOM 0 HB2 GLU A 11 9.409 -13.440 -6.919 1.00 2.65 H new ATOM 0 HB3 GLU A 11 10.351 -11.965 -6.828 1.00 2.65 H new ATOM 0 HG2 GLU A 11 8.493 -12.976 -4.631 1.00 2.49 H new ATOM 0 HG3 GLU A 11 10.228 -13.222 -4.660 1.00 2.49 H new ATOM 159 N ASP A 12 8.833 -9.342 -6.601 1.00 1.29 N ATOM 160 CA ASP A 12 9.347 -7.983 -6.655 1.00 1.33 C ATOM 161 C ASP A 12 8.147 -7.067 -6.477 1.00 1.27 C ATOM 162 O ASP A 12 7.307 -6.941 -7.360 1.00 1.77 O ATOM 163 CB ASP A 12 10.171 -7.629 -7.898 1.00 1.76 C ATOM 164 CG ASP A 12 10.881 -6.291 -7.675 1.00 2.20 C ATOM 165 OD1 ASP A 12 11.889 -6.046 -8.371 1.00 2.97 O ATOM 166 OD2 ASP A 12 10.435 -5.542 -6.771 1.00 2.95 O ATOM 0 H ASP A 12 8.543 -9.565 -5.649 1.00 1.29 H new ATOM 0 HA ASP A 12 10.081 -7.860 -5.859 1.00 1.33 H new ATOM 0 HB2 ASP A 12 10.902 -8.412 -8.098 1.00 1.76 H new ATOM 0 HB3 ASP A 12 9.523 -7.568 -8.772 1.00 1.76 H new ATOM 171 N THR A 13 8.036 -6.465 -5.291 1.00 1.14 N ATOM 172 CA THR A 13 6.902 -5.628 -4.927 1.00 1.11 C ATOM 173 C THR A 13 5.559 -6.353 -5.156 1.00 1.06 C ATOM 174 O THR A 13 4.554 -5.713 -5.448 1.00 1.26 O ATOM 175 CB THR A 13 7.032 -4.301 -5.696 1.00 1.27 C ATOM 176 OG1 THR A 13 8.377 -3.855 -5.659 1.00 1.95 O ATOM 177 CG2 THR A 13 6.199 -3.169 -5.082 1.00 1.96 C ATOM 0 H THR A 13 8.737 -6.548 -4.555 1.00 1.14 H new ATOM 0 HA THR A 13 6.910 -5.411 -3.859 1.00 1.11 H new ATOM 0 HB THR A 13 6.681 -4.509 -6.707 1.00 1.27 H new ATOM 0 HG1 THR A 13 8.934 -4.448 -6.206 1.00 1.95 H new ATOM 0 HG21 THR A 13 6.332 -2.260 -5.668 1.00 1.96 H new ATOM 0 HG22 THR A 13 5.146 -3.450 -5.083 1.00 1.96 H new ATOM 0 HG23 THR A 13 6.526 -2.991 -4.058 1.00 1.96 H new ATOM 185 N GLU A 14 5.525 -7.684 -4.989 1.00 0.92 N ATOM 186 CA GLU A 14 4.310 -8.472 -5.179 1.00 0.93 C ATOM 187 C GLU A 14 3.356 -8.253 -4.002 1.00 0.95 C ATOM 188 O GLU A 14 2.406 -7.486 -4.115 1.00 1.27 O ATOM 189 CB GLU A 14 4.660 -9.962 -5.385 1.00 0.97 C ATOM 190 CG GLU A 14 4.438 -10.410 -6.835 1.00 1.18 C ATOM 191 CD GLU A 14 2.952 -10.435 -7.207 1.00 2.06 C ATOM 192 OE1 GLU A 14 2.438 -9.358 -7.582 1.00 3.30 O ATOM 193 OE2 GLU A 14 2.347 -11.525 -7.107 1.00 3.06 O ATOM 0 H GLU A 14 6.339 -8.237 -4.720 1.00 0.92 H new ATOM 0 HA GLU A 14 3.797 -8.139 -6.081 1.00 0.93 H new ATOM 0 HB2 GLU A 14 5.701 -10.131 -5.109 1.00 0.97 H new ATOM 0 HB3 GLU A 14 4.050 -10.573 -4.720 1.00 0.97 H new ATOM 0 HG2 GLU A 14 4.969 -9.736 -7.508 1.00 1.18 H new ATOM 0 HG3 GLU A 14 4.864 -11.403 -6.977 1.00 1.18 H new ATOM 200 N GLU A 15 3.601 -8.876 -2.845 1.00 0.78 N ATOM 201 CA GLU A 15 2.695 -8.769 -1.707 1.00 0.78 C ATOM 202 C GLU A 15 3.525 -8.506 -0.459 1.00 0.72 C ATOM 203 O GLU A 15 3.608 -9.324 0.457 1.00 0.77 O ATOM 204 CB GLU A 15 1.846 -10.037 -1.553 1.00 0.89 C ATOM 205 CG GLU A 15 0.767 -10.168 -2.629 1.00 1.64 C ATOM 206 CD GLU A 15 -0.341 -11.096 -2.131 1.00 2.24 C ATOM 207 OE1 GLU A 15 -0.184 -12.327 -2.277 1.00 2.62 O ATOM 208 OE2 GLU A 15 -1.309 -10.556 -1.554 1.00 3.59 O ATOM 0 H GLU A 15 4.421 -9.459 -2.676 1.00 0.78 H new ATOM 0 HA GLU A 15 2.000 -7.945 -1.866 1.00 0.78 H new ATOM 0 HB2 GLU A 15 2.497 -10.910 -1.591 1.00 0.89 H new ATOM 0 HB3 GLU A 15 1.373 -10.034 -0.571 1.00 0.89 H new ATOM 0 HG2 GLU A 15 0.355 -9.187 -2.867 1.00 1.64 H new ATOM 0 HG3 GLU A 15 1.201 -10.563 -3.548 1.00 1.64 H new ATOM 215 N LYS A 16 4.161 -7.337 -0.422 1.00 0.70 N ATOM 216 CA LYS A 16 5.076 -6.972 0.648 1.00 0.68 C ATOM 217 C LYS A 16 4.610 -5.622 1.174 1.00 0.64 C ATOM 218 O LYS A 16 4.646 -4.624 0.461 1.00 0.66 O ATOM 219 CB LYS A 16 6.519 -6.973 0.116 1.00 0.71 C ATOM 220 CG LYS A 16 6.809 -8.330 -0.546 1.00 0.73 C ATOM 221 CD LYS A 16 8.285 -8.645 -0.804 1.00 0.85 C ATOM 222 CE LYS A 16 8.792 -7.939 -2.059 1.00 0.93 C ATOM 223 NZ LYS A 16 10.070 -8.534 -2.510 1.00 1.15 N ATOM 0 H LYS A 16 4.054 -6.617 -1.137 1.00 0.70 H new ATOM 0 HA LYS A 16 5.073 -7.684 1.473 1.00 0.68 H new ATOM 0 HB2 LYS A 16 6.655 -6.166 -0.604 1.00 0.71 H new ATOM 0 HB3 LYS A 16 7.221 -6.794 0.931 1.00 0.71 H new ATOM 0 HG2 LYS A 16 6.394 -9.116 0.085 1.00 0.73 H new ATOM 0 HG3 LYS A 16 6.277 -8.370 -1.497 1.00 0.73 H new ATOM 0 HD2 LYS A 16 8.880 -8.336 0.055 1.00 0.85 H new ATOM 0 HD3 LYS A 16 8.416 -9.722 -0.912 1.00 0.85 H new ATOM 0 HE2 LYS A 16 8.048 -8.017 -2.852 1.00 0.93 H new ATOM 0 HE3 LYS A 16 8.931 -6.877 -1.855 1.00 0.93 H new ATOM 0 HZ1 LYS A 16 10.697 -7.783 -2.862 1.00 1.15 H new ATOM 0 HZ2 LYS A 16 10.527 -9.021 -1.713 1.00 1.15 H new ATOM 0 HZ3 LYS A 16 9.885 -9.217 -3.273 1.00 1.15 H new ATOM 237 N CYS A 17 4.103 -5.620 2.402 1.00 0.58 N ATOM 238 CA CYS A 17 3.606 -4.459 3.115 1.00 0.54 C ATOM 239 C CYS A 17 4.810 -3.566 3.407 1.00 0.57 C ATOM 240 O CYS A 17 5.581 -3.843 4.327 1.00 0.67 O ATOM 241 CB CYS A 17 2.984 -4.971 4.430 1.00 0.59 C ATOM 242 SG CYS A 17 1.657 -3.924 5.063 1.00 0.66 S ATOM 0 H CYS A 17 4.026 -6.476 2.952 1.00 0.58 H new ATOM 0 HA CYS A 17 2.861 -3.898 2.550 1.00 0.54 H new ATOM 0 HB2 CYS A 17 2.596 -5.977 4.270 1.00 0.59 H new ATOM 0 HB3 CYS A 17 3.766 -5.047 5.186 1.00 0.59 H new ATOM 247 N THR A 18 4.978 -2.471 2.666 1.00 0.53 N ATOM 248 CA THR A 18 6.089 -1.571 2.939 1.00 0.62 C ATOM 249 C THR A 18 5.596 -0.414 3.808 1.00 0.57 C ATOM 250 O THR A 18 6.166 0.673 3.765 1.00 0.76 O ATOM 251 CB THR A 18 6.751 -1.107 1.633 1.00 0.78 C ATOM 252 OG1 THR A 18 5.899 -0.218 0.952 1.00 0.97 O ATOM 253 CG2 THR A 18 7.107 -2.276 0.706 1.00 0.84 C ATOM 0 H THR A 18 4.374 -2.193 1.892 1.00 0.53 H new ATOM 0 HA THR A 18 6.866 -2.094 3.496 1.00 0.62 H new ATOM 0 HB THR A 18 7.680 -0.608 1.908 1.00 0.78 H new ATOM 0 HG1 THR A 18 6.328 0.075 0.121 1.00 0.97 H new ATOM 0 HG21 THR A 18 7.572 -1.892 -0.202 1.00 0.84 H new ATOM 0 HG22 THR A 18 7.802 -2.945 1.214 1.00 0.84 H new ATOM 0 HG23 THR A 18 6.201 -2.823 0.446 1.00 0.84 H new ATOM 261 N ILE A 19 4.529 -0.639 4.585 1.00 0.54 N ATOM 262 CA ILE A 19 4.035 0.294 5.579 1.00 0.58 C ATOM 263 C ILE A 19 4.282 -0.335 6.942 1.00 0.69 C ATOM 264 O ILE A 19 5.122 0.130 7.704 1.00 0.75 O ATOM 265 CB ILE A 19 2.554 0.596 5.365 1.00 0.59 C ATOM 266 CG1 ILE A 19 2.313 0.813 3.863 1.00 0.49 C ATOM 267 CG2 ILE A 19 2.227 1.798 6.252 1.00 0.80 C ATOM 268 CD1 ILE A 19 1.064 1.602 3.577 1.00 0.63 C ATOM 0 H ILE A 19 3.980 -1.497 4.531 1.00 0.54 H new ATOM 0 HA ILE A 19 4.554 1.249 5.501 1.00 0.58 H new ATOM 0 HB ILE A 19 1.886 -0.216 5.652 1.00 0.59 H new ATOM 0 HG12 ILE A 19 3.170 1.332 3.434 1.00 0.49 H new ATOM 0 HG13 ILE A 19 2.246 -0.156 3.368 1.00 0.49 H new ATOM 0 HG21 ILE A 19 1.175 2.059 6.138 1.00 0.80 H new ATOM 0 HG22 ILE A 19 2.428 1.547 7.294 1.00 0.80 H new ATOM 0 HG23 ILE A 19 2.845 2.646 5.958 1.00 0.80 H new ATOM 0 HD11 ILE A 19 0.948 1.722 2.500 1.00 0.63 H new ATOM 0 HD12 ILE A 19 0.200 1.073 3.978 1.00 0.63 H new ATOM 0 HD13 ILE A 19 1.138 2.583 4.046 1.00 0.63 H new ATOM 280 N CYS A 20 3.596 -1.449 7.203 1.00 0.75 N ATOM 281 CA CYS A 20 3.731 -2.246 8.410 1.00 0.92 C ATOM 282 C CYS A 20 4.951 -3.180 8.304 1.00 0.95 C ATOM 283 O CYS A 20 5.075 -4.102 9.110 1.00 1.12 O ATOM 284 CB CYS A 20 2.422 -3.039 8.673 1.00 1.06 C ATOM 285 SG CYS A 20 1.281 -3.140 7.252 1.00 1.78 S ATOM 0 H CYS A 20 2.908 -1.829 6.553 1.00 0.75 H new ATOM 0 HA CYS A 20 3.898 -1.584 9.260 1.00 0.92 H new ATOM 0 HB2 CYS A 20 2.684 -4.051 8.982 1.00 1.06 H new ATOM 0 HB3 CYS A 20 1.897 -2.577 9.509 1.00 1.06 H new ATOM 290 N LEU A 21 5.854 -2.948 7.340 1.00 0.90 N ATOM 291 CA LEU A 21 7.146 -3.612 7.175 1.00 1.04 C ATOM 292 C LEU A 21 7.057 -5.122 7.409 1.00 1.12 C ATOM 293 O LEU A 21 7.727 -5.673 8.279 1.00 1.40 O ATOM 294 CB LEU A 21 8.192 -2.937 8.080 1.00 1.27 C ATOM 295 CG LEU A 21 8.454 -1.463 7.723 1.00 1.33 C ATOM 296 CD1 LEU A 21 9.303 -0.811 8.816 1.00 1.54 C ATOM 297 CD2 LEU A 21 9.187 -1.329 6.383 1.00 1.51 C ATOM 0 H LEU A 21 5.688 -2.250 6.615 1.00 0.90 H new ATOM 0 HA LEU A 21 7.464 -3.498 6.139 1.00 1.04 H new ATOM 0 HB2 LEU A 21 7.858 -2.998 9.116 1.00 1.27 H new ATOM 0 HB3 LEU A 21 9.129 -3.490 8.014 1.00 1.27 H new ATOM 0 HG LEU A 21 7.488 -0.965 7.642 1.00 1.33 H new ATOM 0 HD11 LEU A 21 9.487 0.233 8.560 1.00 1.54 H new ATOM 0 HD12 LEU A 21 8.774 -0.864 9.768 1.00 1.54 H new ATOM 0 HD13 LEU A 21 10.254 -1.337 8.900 1.00 1.54 H new ATOM 0 HD21 LEU A 21 9.355 -0.275 6.164 1.00 1.51 H new ATOM 0 HD22 LEU A 21 10.146 -1.845 6.439 1.00 1.51 H new ATOM 0 HD23 LEU A 21 8.583 -1.772 5.592 1.00 1.51 H new ATOM 309 N SER A 22 6.236 -5.804 6.614 1.00 0.91 N ATOM 310 CA SER A 22 6.058 -7.246 6.712 1.00 1.00 C ATOM 311 C SER A 22 5.588 -7.794 5.374 1.00 0.82 C ATOM 312 O SER A 22 4.995 -7.081 4.575 1.00 0.69 O ATOM 313 CB SER A 22 5.060 -7.580 7.830 1.00 1.13 C ATOM 314 OG SER A 22 4.066 -6.579 7.962 1.00 1.37 O ATOM 0 H SER A 22 5.675 -5.368 5.882 1.00 0.91 H new ATOM 0 HA SER A 22 7.010 -7.715 6.961 1.00 1.00 H new ATOM 0 HB2 SER A 22 4.585 -8.538 7.620 1.00 1.13 H new ATOM 0 HB3 SER A 22 5.594 -7.689 8.774 1.00 1.13 H new ATOM 0 HG SER A 22 4.452 -5.790 8.397 1.00 1.37 H new ATOM 320 N ILE A 23 5.877 -9.059 5.095 1.00 0.88 N ATOM 321 CA ILE A 23 5.394 -9.723 3.897 1.00 0.79 C ATOM 322 C ILE A 23 3.979 -10.231 4.206 1.00 0.70 C ATOM 323 O ILE A 23 3.640 -10.394 5.379 1.00 0.77 O ATOM 324 CB ILE A 23 6.362 -10.861 3.537 1.00 0.98 C ATOM 325 CG1 ILE A 23 7.845 -10.434 3.600 1.00 1.40 C ATOM 326 CG2 ILE A 23 6.011 -11.403 2.152 1.00 0.95 C ATOM 327 CD1 ILE A 23 8.153 -9.099 2.913 1.00 1.09 C ATOM 0 H ILE A 23 6.453 -9.651 5.694 1.00 0.88 H new ATOM 0 HA ILE A 23 5.350 -9.055 3.036 1.00 0.79 H new ATOM 0 HB ILE A 23 6.243 -11.645 4.285 1.00 0.98 H new ATOM 0 HG12 ILE A 23 8.147 -10.368 4.645 1.00 1.40 H new ATOM 0 HG13 ILE A 23 8.454 -11.213 3.141 1.00 1.40 H new ATOM 0 HG21 ILE A 23 6.696 -12.211 1.893 1.00 0.95 H new ATOM 0 HG22 ILE A 23 4.989 -11.782 2.158 1.00 0.95 H new ATOM 0 HG23 ILE A 23 6.098 -10.604 1.416 1.00 0.95 H new ATOM 0 HD11 ILE A 23 9.216 -8.879 3.006 1.00 1.09 H new ATOM 0 HD12 ILE A 23 7.887 -9.163 1.858 1.00 1.09 H new ATOM 0 HD13 ILE A 23 7.575 -8.305 3.385 1.00 1.09 H new ATOM 339 N LEU A 24 3.146 -10.448 3.184 1.00 0.65 N ATOM 340 CA LEU A 24 1.727 -10.732 3.348 1.00 0.69 C ATOM 341 C LEU A 24 1.384 -12.095 2.752 1.00 0.84 C ATOM 342 O LEU A 24 1.203 -13.057 3.491 1.00 1.02 O ATOM 343 CB LEU A 24 0.924 -9.594 2.702 1.00 0.88 C ATOM 344 CG LEU A 24 1.272 -8.217 3.263 1.00 1.01 C ATOM 345 CD1 LEU A 24 0.848 -7.196 2.208 1.00 1.40 C ATOM 346 CD2 LEU A 24 0.597 -8.029 4.622 1.00 1.10 C ATOM 0 H LEU A 24 3.447 -10.430 2.210 1.00 0.65 H new ATOM 0 HA LEU A 24 1.468 -10.782 4.406 1.00 0.69 H new ATOM 0 HB2 LEU A 24 1.103 -9.597 1.627 1.00 0.88 H new ATOM 0 HB3 LEU A 24 -0.140 -9.780 2.848 1.00 0.88 H new ATOM 0 HG LEU A 24 2.338 -8.092 3.453 1.00 1.01 H new ATOM 0 HD11 LEU A 24 1.076 -6.191 2.562 1.00 1.40 H new ATOM 0 HD12 LEU A 24 1.388 -7.385 1.280 1.00 1.40 H new ATOM 0 HD13 LEU A 24 -0.224 -7.283 2.028 1.00 1.40 H new ATOM 0 HD21 LEU A 24 0.847 -7.045 5.020 1.00 1.10 H new ATOM 0 HD22 LEU A 24 -0.484 -8.109 4.506 1.00 1.10 H new ATOM 0 HD23 LEU A 24 0.946 -8.798 5.311 1.00 1.10 H new ATOM 358 N GLU A 25 1.356 -12.166 1.422 1.00 1.01 N ATOM 359 CA GLU A 25 1.105 -13.360 0.625 1.00 1.31 C ATOM 360 C GLU A 25 -0.308 -13.913 0.850 1.00 1.72 C ATOM 361 O GLU A 25 -1.142 -13.298 1.525 1.00 3.14 O ATOM 362 CB GLU A 25 2.233 -14.400 0.792 1.00 1.37 C ATOM 363 CG GLU A 25 3.591 -13.741 1.060 1.00 1.49 C ATOM 364 CD GLU A 25 4.787 -14.678 0.879 1.00 1.61 C ATOM 365 OE1 GLU A 25 5.455 -14.559 -0.172 1.00 2.58 O ATOM 366 OE2 GLU A 25 5.068 -15.446 1.827 1.00 1.61 O ATOM 0 H GLU A 25 1.517 -11.343 0.841 1.00 1.01 H new ATOM 0 HA GLU A 25 1.129 -13.078 -0.428 1.00 1.31 H new ATOM 0 HB2 GLU A 25 1.988 -15.071 1.615 1.00 1.37 H new ATOM 0 HB3 GLU A 25 2.298 -15.011 -0.108 1.00 1.37 H new ATOM 0 HG2 GLU A 25 3.707 -12.888 0.391 1.00 1.49 H new ATOM 0 HG3 GLU A 25 3.599 -13.351 2.078 1.00 1.49 H new ATOM 373 N GLU A 26 -0.611 -15.056 0.229 1.00 1.80 N ATOM 374 CA GLU A 26 -1.979 -15.548 0.148 1.00 2.38 C ATOM 375 C GLU A 26 -2.598 -15.779 1.528 1.00 1.76 C ATOM 376 O GLU A 26 -2.207 -16.672 2.278 1.00 2.87 O ATOM 377 CB GLU A 26 -2.085 -16.806 -0.724 1.00 4.16 C ATOM 378 CG GLU A 26 -1.134 -17.956 -0.351 1.00 4.57 C ATOM 379 CD GLU A 26 0.054 -18.049 -1.305 1.00 6.29 C ATOM 380 OE1 GLU A 26 0.167 -19.095 -1.984 1.00 7.48 O ATOM 381 OE2 GLU A 26 0.828 -17.067 -1.342 1.00 6.95 O ATOM 0 H GLU A 26 0.078 -15.656 -0.225 1.00 1.80 H new ATOM 0 HA GLU A 26 -2.558 -14.761 -0.336 1.00 2.38 H new ATOM 0 HB2 GLU A 26 -3.109 -17.175 -0.675 1.00 4.16 H new ATOM 0 HB3 GLU A 26 -1.897 -16.525 -1.760 1.00 4.16 H new ATOM 0 HG2 GLU A 26 -0.771 -17.811 0.666 1.00 4.57 H new ATOM 0 HG3 GLU A 26 -1.682 -18.898 -0.362 1.00 4.57 H new ATOM 388 N GLY A 27 -3.616 -14.982 1.851 1.00 1.50 N ATOM 389 CA GLY A 27 -4.319 -15.076 3.118 1.00 2.26 C ATOM 390 C GLY A 27 -4.581 -13.689 3.680 1.00 1.95 C ATOM 391 O GLY A 27 -5.621 -13.462 4.295 1.00 2.22 O ATOM 0 H GLY A 27 -3.973 -14.252 1.235 1.00 1.50 H new ATOM 0 HA2 GLY A 27 -5.263 -15.604 2.980 1.00 2.26 H new ATOM 0 HA3 GLY A 27 -3.729 -15.657 3.827 1.00 2.26 H new ATOM 395 N GLU A 28 -3.637 -12.767 3.486 1.00 1.64 N ATOM 396 CA GLU A 28 -3.836 -11.382 3.880 1.00 1.55 C ATOM 397 C GLU A 28 -4.726 -10.659 2.874 1.00 1.28 C ATOM 398 O GLU A 28 -5.069 -11.201 1.822 1.00 1.55 O ATOM 399 CB GLU A 28 -2.470 -10.698 4.005 1.00 1.87 C ATOM 400 CG GLU A 28 -1.986 -10.744 5.459 1.00 2.56 C ATOM 401 CD GLU A 28 -2.698 -9.690 6.314 1.00 3.50 C ATOM 402 OE1 GLU A 28 -2.087 -9.212 7.296 1.00 4.40 O ATOM 403 OE2 GLU A 28 -3.841 -9.310 5.961 1.00 4.04 O ATOM 0 H GLU A 28 -2.731 -12.959 3.059 1.00 1.64 H new ATOM 0 HA GLU A 28 -4.341 -11.345 4.845 1.00 1.55 H new ATOM 0 HB2 GLU A 28 -1.747 -11.193 3.357 1.00 1.87 H new ATOM 0 HB3 GLU A 28 -2.541 -9.663 3.670 1.00 1.87 H new ATOM 0 HG2 GLU A 28 -2.167 -11.735 5.874 1.00 2.56 H new ATOM 0 HG3 GLU A 28 -0.909 -10.576 5.492 1.00 2.56 H new ATOM 410 N ASP A 29 -5.104 -9.423 3.205 1.00 1.20 N ATOM 411 CA ASP A 29 -6.029 -8.637 2.398 1.00 1.04 C ATOM 412 C ASP A 29 -5.293 -7.475 1.727 1.00 0.78 C ATOM 413 O ASP A 29 -4.419 -6.852 2.332 1.00 0.94 O ATOM 414 CB ASP A 29 -7.180 -8.146 3.284 1.00 1.22 C ATOM 415 CG ASP A 29 -8.271 -7.444 2.479 1.00 1.87 C ATOM 416 OD1 ASP A 29 -8.279 -7.622 1.241 1.00 2.92 O ATOM 417 OD2 ASP A 29 -9.083 -6.737 3.120 1.00 2.72 O ATOM 0 H ASP A 29 -4.775 -8.941 4.042 1.00 1.20 H new ATOM 0 HA ASP A 29 -6.447 -9.256 1.604 1.00 1.04 H new ATOM 0 HB2 ASP A 29 -7.612 -8.993 3.817 1.00 1.22 H new ATOM 0 HB3 ASP A 29 -6.790 -7.461 4.037 1.00 1.22 H new ATOM 422 N VAL A 30 -5.634 -7.169 0.476 1.00 0.72 N ATOM 423 CA VAL A 30 -4.862 -6.278 -0.381 1.00 0.78 C ATOM 424 C VAL A 30 -5.748 -5.158 -0.908 1.00 0.73 C ATOM 425 O VAL A 30 -6.891 -5.373 -1.303 1.00 0.94 O ATOM 426 CB VAL A 30 -4.200 -7.057 -1.530 1.00 1.14 C ATOM 427 CG1 VAL A 30 -3.087 -7.957 -0.994 1.00 1.38 C ATOM 428 CG2 VAL A 30 -5.187 -7.916 -2.335 1.00 1.65 C ATOM 0 H VAL A 30 -6.469 -7.541 0.024 1.00 0.72 H new ATOM 0 HA VAL A 30 -4.064 -5.830 0.211 1.00 0.78 H new ATOM 0 HB VAL A 30 -3.795 -6.303 -2.205 1.00 1.14 H new ATOM 0 HG11 VAL A 30 -2.629 -8.501 -1.820 1.00 1.38 H new ATOM 0 HG12 VAL A 30 -2.332 -7.346 -0.499 1.00 1.38 H new ATOM 0 HG13 VAL A 30 -3.505 -8.667 -0.280 1.00 1.38 H new ATOM 0 HG21 VAL A 30 -4.652 -8.437 -3.129 1.00 1.65 H new ATOM 0 HG22 VAL A 30 -5.657 -8.645 -1.675 1.00 1.65 H new ATOM 0 HG23 VAL A 30 -5.953 -7.276 -2.773 1.00 1.65 H new ATOM 438 N ARG A 31 -5.211 -3.940 -0.939 1.00 0.69 N ATOM 439 CA ARG A 31 -5.938 -2.760 -1.361 1.00 0.62 C ATOM 440 C ARG A 31 -4.980 -1.883 -2.144 1.00 0.61 C ATOM 441 O ARG A 31 -3.994 -1.381 -1.609 1.00 0.99 O ATOM 442 CB ARG A 31 -6.516 -2.077 -0.117 1.00 0.77 C ATOM 443 CG ARG A 31 -7.444 -0.905 -0.460 1.00 0.91 C ATOM 444 CD ARG A 31 -6.695 0.431 -0.560 1.00 2.14 C ATOM 445 NE ARG A 31 -7.255 1.286 -1.618 1.00 2.96 N ATOM 446 CZ ARG A 31 -7.779 2.512 -1.477 1.00 3.79 C ATOM 447 NH1 ARG A 31 -8.270 3.133 -2.550 1.00 4.76 N ATOM 448 NH2 ARG A 31 -7.818 3.122 -0.290 1.00 4.30 N ATOM 0 H ARG A 31 -4.246 -3.750 -0.667 1.00 0.69 H new ATOM 0 HA ARG A 31 -6.779 -2.993 -2.014 1.00 0.62 H new ATOM 0 HB2 ARG A 31 -7.067 -2.810 0.472 1.00 0.77 H new ATOM 0 HB3 ARG A 31 -5.698 -1.717 0.507 1.00 0.77 H new ATOM 0 HG2 ARG A 31 -7.945 -1.108 -1.406 1.00 0.91 H new ATOM 0 HG3 ARG A 31 -8.220 -0.826 0.301 1.00 0.91 H new ATOM 0 HD2 ARG A 31 -6.749 0.952 0.396 1.00 2.14 H new ATOM 0 HD3 ARG A 31 -5.640 0.244 -0.762 1.00 2.14 H new ATOM 0 HE ARG A 31 -7.243 0.904 -2.564 1.00 2.96 H new ATOM 0 HH11 ARG A 31 -8.243 2.675 -3.461 1.00 4.76 H new ATOM 0 HH12 ARG A 31 -8.672 4.066 -2.460 1.00 4.76 H new ATOM 0 HH21 ARG A 31 -7.444 2.655 0.536 1.00 4.30 H new ATOM 0 HH22 ARG A 31 -8.222 4.055 -0.209 1.00 4.30 H new ATOM 462 N ARG A 32 -5.250 -1.691 -3.430 1.00 0.56 N ATOM 463 CA ARG A 32 -4.393 -0.861 -4.261 1.00 0.58 C ATOM 464 C ARG A 32 -4.982 0.537 -4.358 1.00 0.63 C ATOM 465 O ARG A 32 -6.201 0.716 -4.389 1.00 0.99 O ATOM 466 CB ARG A 32 -4.111 -1.526 -5.616 1.00 0.61 C ATOM 467 CG ARG A 32 -5.346 -1.882 -6.454 1.00 1.10 C ATOM 468 CD ARG A 32 -5.700 -0.778 -7.451 1.00 1.02 C ATOM 469 NE ARG A 32 -6.879 -1.158 -8.241 1.00 1.49 N ATOM 470 CZ ARG A 32 -7.443 -0.395 -9.183 1.00 1.93 C ATOM 471 NH1 ARG A 32 -8.495 -0.850 -9.866 1.00 2.39 N ATOM 472 NH2 ARG A 32 -6.947 0.816 -9.435 1.00 2.62 N ATOM 0 H ARG A 32 -6.050 -2.097 -3.915 1.00 0.56 H new ATOM 0 HA ARG A 32 -3.412 -0.757 -3.798 1.00 0.58 H new ATOM 0 HB2 ARG A 32 -3.477 -0.860 -6.202 1.00 0.61 H new ATOM 0 HB3 ARG A 32 -3.539 -2.437 -5.440 1.00 0.61 H new ATOM 0 HG2 ARG A 32 -5.163 -2.812 -6.993 1.00 1.10 H new ATOM 0 HG3 ARG A 32 -6.194 -2.059 -5.793 1.00 1.10 H new ATOM 0 HD2 ARG A 32 -5.896 0.152 -6.918 1.00 1.02 H new ATOM 0 HD3 ARG A 32 -4.855 -0.593 -8.114 1.00 1.02 H new ATOM 0 HE ARG A 32 -7.298 -2.070 -8.058 1.00 1.49 H new ATOM 0 HH11 ARG A 32 -8.868 -1.779 -9.669 1.00 2.39 H new ATOM 0 HH12 ARG A 32 -8.926 -0.269 -10.585 1.00 2.39 H new ATOM 0 HH21 ARG A 32 -6.141 1.156 -8.910 1.00 2.62 H new ATOM 0 HH22 ARG A 32 -7.373 1.402 -10.153 1.00 2.62 H new ATOM 486 N LEU A 33 -4.099 1.528 -4.365 1.00 0.55 N ATOM 487 CA LEU A 33 -4.391 2.914 -4.631 1.00 0.58 C ATOM 488 C LEU A 33 -4.666 3.086 -6.128 1.00 0.64 C ATOM 489 O LEU A 33 -4.283 2.228 -6.928 1.00 0.75 O ATOM 490 CB LEU A 33 -3.138 3.701 -4.215 1.00 0.73 C ATOM 491 CG LEU A 33 -2.682 3.401 -2.773 1.00 0.65 C ATOM 492 CD1 LEU A 33 -1.605 4.401 -2.354 1.00 1.90 C ATOM 493 CD2 LEU A 33 -3.849 3.401 -1.780 1.00 1.65 C ATOM 0 H LEU A 33 -3.110 1.368 -4.174 1.00 0.55 H new ATOM 0 HA LEU A 33 -5.267 3.266 -4.086 1.00 0.58 H new ATOM 0 HB2 LEU A 33 -2.325 3.467 -4.902 1.00 0.73 H new ATOM 0 HB3 LEU A 33 -3.339 4.768 -4.311 1.00 0.73 H new ATOM 0 HG LEU A 33 -2.264 2.394 -2.758 1.00 0.65 H new ATOM 0 HD11 LEU A 33 -1.285 4.186 -1.334 1.00 1.90 H new ATOM 0 HD12 LEU A 33 -0.751 4.319 -3.027 1.00 1.90 H new ATOM 0 HD13 LEU A 33 -2.009 5.412 -2.402 1.00 1.90 H new ATOM 0 HD21 LEU A 33 -3.475 3.185 -0.779 1.00 1.65 H new ATOM 0 HD22 LEU A 33 -4.330 4.379 -1.784 1.00 1.65 H new ATOM 0 HD23 LEU A 33 -4.573 2.639 -2.069 1.00 1.65 H new ATOM 505 N PRO A 34 -5.239 4.221 -6.550 1.00 0.66 N ATOM 506 CA PRO A 34 -5.282 4.584 -7.959 1.00 0.72 C ATOM 507 C PRO A 34 -3.881 4.895 -8.501 1.00 0.69 C ATOM 508 O PRO A 34 -3.681 4.912 -9.710 1.00 0.81 O ATOM 509 CB PRO A 34 -6.211 5.799 -8.035 1.00 0.81 C ATOM 510 CG PRO A 34 -6.056 6.454 -6.663 1.00 0.80 C ATOM 511 CD PRO A 34 -5.845 5.260 -5.730 1.00 0.71 C ATOM 0 HA PRO A 34 -5.650 3.766 -8.578 1.00 0.72 H new ATOM 0 HB2 PRO A 34 -5.921 6.476 -8.838 1.00 0.81 H new ATOM 0 HB3 PRO A 34 -7.243 5.504 -8.224 1.00 0.81 H new ATOM 0 HG2 PRO A 34 -5.209 7.140 -6.637 1.00 0.80 H new ATOM 0 HG3 PRO A 34 -6.941 7.029 -6.388 1.00 0.80 H new ATOM 0 HD2 PRO A 34 -5.198 5.526 -4.894 1.00 0.71 H new ATOM 0 HD3 PRO A 34 -6.791 4.922 -5.306 1.00 0.71 H new ATOM 519 N CYS A 35 -2.888 5.091 -7.626 1.00 0.59 N ATOM 520 CA CYS A 35 -1.534 5.489 -7.984 1.00 0.63 C ATOM 521 C CYS A 35 -0.675 4.233 -8.192 1.00 0.64 C ATOM 522 O CYS A 35 0.523 4.242 -7.878 1.00 0.71 O ATOM 523 CB CYS A 35 -1.016 6.341 -6.814 1.00 0.70 C ATOM 524 SG CYS A 35 0.659 6.947 -7.131 1.00 2.06 S ATOM 0 H CYS A 35 -3.015 4.972 -6.621 1.00 0.59 H new ATOM 0 HA CYS A 35 -1.498 6.060 -8.912 1.00 0.63 H new ATOM 0 HB2 CYS A 35 -1.686 7.186 -6.652 1.00 0.70 H new ATOM 0 HB3 CYS A 35 -1.023 5.749 -5.899 1.00 0.70 H new ATOM 529 N MET A 36 -1.280 3.157 -8.701 1.00 0.73 N ATOM 530 CA MET A 36 -0.663 1.854 -8.896 1.00 0.78 C ATOM 531 C MET A 36 0.312 1.518 -7.770 1.00 0.74 C ATOM 532 O MET A 36 1.529 1.564 -7.930 1.00 0.84 O ATOM 533 CB MET A 36 0.023 1.803 -10.268 1.00 0.98 C ATOM 534 CG MET A 36 -0.965 1.478 -11.391 1.00 1.23 C ATOM 535 SD MET A 36 -0.925 -0.254 -11.926 1.00 2.38 S ATOM 536 CE MET A 36 0.708 -0.287 -12.725 1.00 3.51 C ATOM 0 H MET A 36 -2.255 3.177 -9.000 1.00 0.73 H new ATOM 0 HA MET A 36 -1.445 1.095 -8.869 1.00 0.78 H new ATOM 0 HB2 MET A 36 0.500 2.762 -10.471 1.00 0.98 H new ATOM 0 HB3 MET A 36 0.813 1.052 -10.251 1.00 0.98 H new ATOM 0 HG2 MET A 36 -1.973 1.721 -11.056 1.00 1.23 H new ATOM 0 HG3 MET A 36 -0.750 2.118 -12.247 1.00 1.23 H new ATOM 0 HE1 MET A 36 0.762 -1.135 -13.408 1.00 3.51 H new ATOM 0 HE2 MET A 36 0.859 0.638 -13.282 1.00 3.51 H new ATOM 0 HE3 MET A 36 1.483 -0.383 -11.965 1.00 3.51 H new ATOM 546 N HIS A 37 -0.235 1.219 -6.596 1.00 0.71 N ATOM 547 CA HIS A 37 0.569 1.018 -5.410 1.00 0.81 C ATOM 548 C HIS A 37 -0.212 0.043 -4.525 1.00 0.89 C ATOM 549 O HIS A 37 -1.329 0.361 -4.117 1.00 1.43 O ATOM 550 CB HIS A 37 0.825 2.395 -4.761 1.00 0.94 C ATOM 551 CG HIS A 37 2.253 2.874 -4.899 1.00 1.05 C ATOM 552 ND1 HIS A 37 2.776 3.888 -5.726 1.00 0.93 N ATOM 553 CD2 HIS A 37 3.272 2.359 -4.143 1.00 1.53 C ATOM 554 CE1 HIS A 37 4.083 3.947 -5.432 1.00 1.36 C ATOM 555 NE2 HIS A 37 4.414 3.041 -4.492 1.00 1.74 N ATOM 0 H HIS A 37 -1.238 1.111 -6.447 1.00 0.71 H new ATOM 0 HA HIS A 37 1.551 0.588 -5.605 1.00 0.81 H new ATOM 0 HB2 HIS A 37 0.159 3.130 -5.213 1.00 0.94 H new ATOM 0 HB3 HIS A 37 0.569 2.342 -3.703 1.00 0.94 H new ATOM 0 HD2 HIS A 37 3.194 1.568 -3.412 1.00 1.53 H new ATOM 0 HE1 HIS A 37 4.780 4.633 -5.890 1.00 1.36 H new ATOM 0 HE2 HIS A 37 5.346 2.888 -4.107 1.00 1.74 H new ATOM 563 N LEU A 38 0.325 -1.164 -4.306 1.00 0.68 N ATOM 564 CA LEU A 38 -0.286 -2.205 -3.482 1.00 0.68 C ATOM 565 C LEU A 38 0.053 -1.926 -2.031 1.00 0.84 C ATOM 566 O LEU A 38 1.219 -1.699 -1.721 1.00 1.22 O ATOM 567 CB LEU A 38 0.267 -3.586 -3.888 1.00 1.21 C ATOM 568 CG LEU A 38 0.008 -4.715 -2.860 1.00 1.21 C ATOM 569 CD1 LEU A 38 -0.468 -5.982 -3.568 1.00 1.37 C ATOM 570 CD2 LEU A 38 1.264 -5.040 -2.041 1.00 2.62 C ATOM 0 H LEU A 38 1.218 -1.447 -4.709 1.00 0.68 H new ATOM 0 HA LEU A 38 -1.367 -2.206 -3.623 1.00 0.68 H new ATOM 0 HB2 LEU A 38 -0.176 -3.873 -4.842 1.00 1.21 H new ATOM 0 HB3 LEU A 38 1.342 -3.499 -4.049 1.00 1.21 H new ATOM 0 HG LEU A 38 -0.765 -4.357 -2.180 1.00 1.21 H new ATOM 0 HD11 LEU A 38 -0.645 -6.766 -2.831 1.00 1.37 H new ATOM 0 HD12 LEU A 38 -1.393 -5.773 -4.105 1.00 1.37 H new ATOM 0 HD13 LEU A 38 0.294 -6.313 -4.273 1.00 1.37 H new ATOM 0 HD21 LEU A 38 1.040 -5.837 -1.332 1.00 2.62 H new ATOM 0 HD22 LEU A 38 2.061 -5.364 -2.710 1.00 2.62 H new ATOM 0 HD23 LEU A 38 1.585 -4.151 -1.498 1.00 2.62 H new ATOM 582 N PHE A 39 -0.938 -2.005 -1.141 1.00 0.82 N ATOM 583 CA PHE A 39 -0.724 -1.974 0.291 1.00 1.13 C ATOM 584 C PHE A 39 -1.800 -2.847 0.938 1.00 1.32 C ATOM 585 O PHE A 39 -2.935 -2.889 0.479 1.00 2.69 O ATOM 586 CB PHE A 39 -0.799 -0.521 0.775 1.00 1.38 C ATOM 587 CG PHE A 39 0.324 0.380 0.288 1.00 1.34 C ATOM 588 CD1 PHE A 39 1.663 0.040 0.551 1.00 1.77 C ATOM 589 CD2 PHE A 39 0.036 1.562 -0.422 1.00 3.01 C ATOM 590 CE1 PHE A 39 2.705 0.869 0.103 1.00 1.95 C ATOM 591 CE2 PHE A 39 1.081 2.399 -0.857 1.00 3.02 C ATOM 592 CZ PHE A 39 2.416 2.052 -0.595 1.00 1.59 C ATOM 0 H PHE A 39 -1.919 -2.093 -1.406 1.00 0.82 H new ATOM 0 HA PHE A 39 0.258 -2.361 0.564 1.00 1.13 H new ATOM 0 HB2 PHE A 39 -1.750 -0.096 0.454 1.00 1.38 H new ATOM 0 HB3 PHE A 39 -0.800 -0.517 1.865 1.00 1.38 H new ATOM 0 HD1 PHE A 39 1.891 -0.862 1.100 1.00 1.77 H new ATOM 0 HD2 PHE A 39 -0.989 1.827 -0.633 1.00 3.01 H new ATOM 0 HE1 PHE A 39 3.732 0.595 0.296 1.00 1.95 H new ATOM 0 HE2 PHE A 39 0.856 3.309 -1.393 1.00 3.02 H new ATOM 0 HZ PHE A 39 3.218 2.693 -0.929 1.00 1.59 H new ATOM 602 N HIS A 40 -1.451 -3.582 1.988 1.00 0.64 N ATOM 603 CA HIS A 40 -2.390 -4.388 2.771 1.00 0.60 C ATOM 604 C HIS A 40 -3.494 -3.508 3.337 1.00 0.70 C ATOM 605 O HIS A 40 -3.224 -2.362 3.661 1.00 1.37 O ATOM 606 CB HIS A 40 -1.549 -5.032 3.872 1.00 0.98 C ATOM 607 CG HIS A 40 -2.149 -5.464 5.172 1.00 0.82 C ATOM 608 ND1 HIS A 40 -1.397 -5.563 6.346 1.00 0.95 N ATOM 609 CD2 HIS A 40 -3.317 -6.154 5.320 1.00 1.13 C ATOM 610 CE1 HIS A 40 -2.125 -6.344 7.157 1.00 1.39 C ATOM 611 NE2 HIS A 40 -3.299 -6.673 6.591 1.00 1.55 N ATOM 0 H HIS A 40 -0.491 -3.638 2.328 1.00 0.64 H new ATOM 0 HA HIS A 40 -2.891 -5.148 2.171 1.00 0.60 H new ATOM 0 HB2 HIS A 40 -1.078 -5.912 3.435 1.00 0.98 H new ATOM 0 HB3 HIS A 40 -0.751 -4.329 4.111 1.00 0.98 H new ATOM 0 HD2 HIS A 40 -4.099 -6.269 4.584 1.00 1.13 H new ATOM 0 HE1 HIS A 40 -1.809 -6.667 8.138 1.00 1.39 H new ATOM 0 HE2 HIS A 40 -4.045 -7.213 7.029 1.00 1.55 H new ATOM 619 N GLN A 41 -4.714 -4.019 3.512 1.00 0.59 N ATOM 620 CA GLN A 41 -5.808 -3.209 4.051 1.00 0.76 C ATOM 621 C GLN A 41 -5.430 -2.531 5.378 1.00 0.85 C ATOM 622 O GLN A 41 -5.734 -1.359 5.586 1.00 1.18 O ATOM 623 CB GLN A 41 -7.095 -4.053 4.160 1.00 0.94 C ATOM 624 CG GLN A 41 -8.220 -3.529 3.252 1.00 1.08 C ATOM 625 CD GLN A 41 -9.207 -2.631 3.982 1.00 1.51 C ATOM 626 OE1 GLN A 41 -9.077 -1.414 3.977 1.00 2.69 O ATOM 627 NE2 GLN A 41 -10.226 -3.220 4.594 1.00 2.17 N ATOM 0 H GLN A 41 -4.968 -4.982 3.291 1.00 0.59 H new ATOM 0 HA GLN A 41 -6.004 -2.395 3.353 1.00 0.76 H new ATOM 0 HB2 GLN A 41 -6.871 -5.087 3.897 1.00 0.94 H new ATOM 0 HB3 GLN A 41 -7.438 -4.055 5.195 1.00 0.94 H new ATOM 0 HG2 GLN A 41 -7.781 -2.976 2.422 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -8.757 -4.375 2.823 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -10.309 -4.237 4.582 1.00 2.17 H new ATOM 0 HE22 GLN A 41 -10.926 -2.656 5.076 1.00 2.17 H new ATOM 636 N VAL A 42 -4.742 -3.232 6.278 1.00 0.85 N ATOM 637 CA VAL A 42 -4.331 -2.624 7.540 1.00 1.03 C ATOM 638 C VAL A 42 -3.122 -1.700 7.356 1.00 1.04 C ATOM 639 O VAL A 42 -2.994 -0.725 8.091 1.00 1.45 O ATOM 640 CB VAL A 42 -4.061 -3.709 8.591 1.00 1.15 C ATOM 641 CG1 VAL A 42 -3.707 -3.102 9.952 1.00 1.34 C ATOM 642 CG2 VAL A 42 -5.289 -4.614 8.760 1.00 1.25 C ATOM 0 H VAL A 42 -4.462 -4.206 6.159 1.00 0.85 H new ATOM 0 HA VAL A 42 -5.150 -2.000 7.899 1.00 1.03 H new ATOM 0 HB VAL A 42 -3.213 -4.294 8.234 1.00 1.15 H new ATOM 0 HG11 VAL A 42 -3.523 -3.901 10.670 1.00 1.34 H new ATOM 0 HG12 VAL A 42 -2.812 -2.488 9.855 1.00 1.34 H new ATOM 0 HG13 VAL A 42 -4.534 -2.484 10.301 1.00 1.34 H new ATOM 0 HG21 VAL A 42 -5.078 -5.377 9.509 1.00 1.25 H new ATOM 0 HG22 VAL A 42 -6.141 -4.015 9.082 1.00 1.25 H new ATOM 0 HG23 VAL A 42 -5.521 -5.094 7.809 1.00 1.25 H new ATOM 652 N CYS A 43 -2.216 -1.984 6.411 1.00 0.87 N ATOM 653 CA CYS A 43 -1.062 -1.130 6.182 1.00 1.06 C ATOM 654 C CYS A 43 -1.541 0.227 5.665 1.00 0.70 C ATOM 655 O CYS A 43 -1.197 1.288 6.188 1.00 0.65 O ATOM 656 CB CYS A 43 -0.206 -1.803 5.099 1.00 1.42 C ATOM 657 SG CYS A 43 0.991 -3.017 5.791 1.00 1.91 S ATOM 0 H CYS A 43 -2.267 -2.798 5.799 1.00 0.87 H new ATOM 0 HA CYS A 43 -0.492 -0.987 7.100 1.00 1.06 H new ATOM 0 HB2 CYS A 43 -0.859 -2.308 4.388 1.00 1.42 H new ATOM 0 HB3 CYS A 43 0.338 -1.038 4.545 1.00 1.42 H new ATOM 662 N VAL A 44 -2.271 0.189 4.554 1.00 0.58 N ATOM 663 CA VAL A 44 -2.698 1.367 3.831 1.00 0.56 C ATOM 664 C VAL A 44 -3.425 2.296 4.797 1.00 0.59 C ATOM 665 O VAL A 44 -3.124 3.489 4.848 1.00 0.62 O ATOM 666 CB VAL A 44 -3.539 0.970 2.603 1.00 0.66 C ATOM 667 CG1 VAL A 44 -4.963 0.516 2.916 1.00 1.86 C ATOM 668 CG2 VAL A 44 -3.601 2.115 1.593 1.00 1.55 C ATOM 0 H VAL A 44 -2.585 -0.683 4.128 1.00 0.58 H new ATOM 0 HA VAL A 44 -1.841 1.912 3.435 1.00 0.56 H new ATOM 0 HB VAL A 44 -3.019 0.106 2.188 1.00 0.66 H new ATOM 0 HG11 VAL A 44 -5.475 0.258 1.989 1.00 1.86 H new ATOM 0 HG12 VAL A 44 -4.932 -0.357 3.568 1.00 1.86 H new ATOM 0 HG13 VAL A 44 -5.501 1.322 3.415 1.00 1.86 H new ATOM 0 HG21 VAL A 44 -4.200 1.811 0.735 1.00 1.55 H new ATOM 0 HG22 VAL A 44 -4.055 2.989 2.061 1.00 1.55 H new ATOM 0 HG23 VAL A 44 -2.593 2.363 1.262 1.00 1.55 H new ATOM 678 N ASP A 45 -4.323 1.744 5.622 1.00 0.69 N ATOM 679 CA ASP A 45 -5.131 2.522 6.552 1.00 0.83 C ATOM 680 C ASP A 45 -4.366 2.832 7.848 1.00 0.85 C ATOM 681 O ASP A 45 -4.910 2.788 8.946 1.00 1.03 O ATOM 682 CB ASP A 45 -6.461 1.804 6.814 1.00 1.00 C ATOM 683 CG ASP A 45 -7.538 2.820 7.189 1.00 1.51 C ATOM 684 OD1 ASP A 45 -8.133 2.688 8.281 1.00 2.68 O ATOM 685 OD2 ASP A 45 -7.766 3.715 6.344 1.00 2.01 O ATOM 0 H ASP A 45 -4.506 0.741 5.659 1.00 0.69 H new ATOM 0 HA ASP A 45 -5.355 3.488 6.098 1.00 0.83 H new ATOM 0 HB2 ASP A 45 -6.766 1.250 5.926 1.00 1.00 H new ATOM 0 HB3 ASP A 45 -6.339 1.077 7.617 1.00 1.00 H new ATOM 690 N GLN A 46 -3.082 3.173 7.725 1.00 0.76 N ATOM 691 CA GLN A 46 -2.213 3.533 8.834 1.00 0.89 C ATOM 692 C GLN A 46 -1.284 4.664 8.398 1.00 0.86 C ATOM 693 O GLN A 46 -1.143 5.662 9.099 1.00 1.00 O ATOM 694 CB GLN A 46 -1.419 2.292 9.262 1.00 1.06 C ATOM 695 CG GLN A 46 -0.634 2.497 10.558 1.00 1.45 C ATOM 696 CD GLN A 46 0.367 1.364 10.764 1.00 2.09 C ATOM 697 OE1 GLN A 46 1.570 1.586 10.801 1.00 2.98 O ATOM 698 NE2 GLN A 46 -0.103 0.129 10.885 1.00 2.75 N ATOM 0 H GLN A 46 -2.609 3.206 6.822 1.00 0.76 H new ATOM 0 HA GLN A 46 -2.798 3.883 9.685 1.00 0.89 H new ATOM 0 HB2 GLN A 46 -2.106 1.455 9.389 1.00 1.06 H new ATOM 0 HB3 GLN A 46 -0.727 2.018 8.465 1.00 1.06 H new ATOM 0 HG2 GLN A 46 -0.109 3.452 10.525 1.00 1.45 H new ATOM 0 HG3 GLN A 46 -1.321 2.541 11.403 1.00 1.45 H new ATOM 0 HE21 GLN A 46 -1.108 -0.040 10.852 1.00 2.75 H new ATOM 0 HE22 GLN A 46 0.541 -0.652 11.011 1.00 2.75 H new ATOM 707 N ARG A 47 -0.663 4.543 7.222 1.00 0.86 N ATOM 708 CA ARG A 47 0.149 5.631 6.682 1.00 1.00 C ATOM 709 C ARG A 47 -0.685 6.567 5.818 1.00 1.03 C ATOM 710 O ARG A 47 -0.531 7.781 5.915 1.00 1.29 O ATOM 711 CB ARG A 47 1.326 5.042 5.910 1.00 1.09 C ATOM 712 CG ARG A 47 2.225 6.071 5.216 1.00 1.49 C ATOM 713 CD ARG A 47 3.352 5.320 4.497 1.00 1.41 C ATOM 714 NE ARG A 47 4.282 6.229 3.812 1.00 2.15 N ATOM 715 CZ ARG A 47 4.100 6.783 2.605 1.00 3.71 C ATOM 716 NH1 ARG A 47 5.053 7.554 2.080 1.00 4.35 N ATOM 717 NH2 ARG A 47 2.971 6.569 1.924 1.00 4.96 N ATOM 0 H ARG A 47 -0.707 3.712 6.633 1.00 0.86 H new ATOM 0 HA ARG A 47 0.537 6.233 7.504 1.00 1.00 H new ATOM 0 HB2 ARG A 47 1.935 4.455 6.598 1.00 1.09 H new ATOM 0 HB3 ARG A 47 0.940 4.353 5.158 1.00 1.09 H new ATOM 0 HG2 ARG A 47 1.647 6.661 4.504 1.00 1.49 H new ATOM 0 HG3 ARG A 47 2.638 6.767 5.946 1.00 1.49 H new ATOM 0 HD2 ARG A 47 3.903 4.718 5.220 1.00 1.41 H new ATOM 0 HD3 ARG A 47 2.921 4.631 3.771 1.00 1.41 H new ATOM 0 HE ARG A 47 5.147 6.460 4.301 1.00 2.15 H new ATOM 0 HH11 ARG A 47 5.917 7.720 2.597 1.00 4.35 H new ATOM 0 HH12 ARG A 47 4.918 7.977 1.162 1.00 4.35 H new ATOM 0 HH21 ARG A 47 2.239 5.980 2.322 1.00 4.96 H new ATOM 0 HH22 ARG A 47 2.841 6.994 1.006 1.00 4.96 H new ATOM 731 N LEU A 48 -1.525 6.034 4.926 1.00 0.92 N ATOM 732 CA LEU A 48 -2.198 6.868 3.940 1.00 1.07 C ATOM 733 C LEU A 48 -3.287 7.679 4.629 1.00 1.13 C ATOM 734 O LEU A 48 -3.630 8.750 4.141 1.00 1.51 O ATOM 735 CB LEU A 48 -2.769 6.045 2.773 1.00 1.08 C ATOM 736 CG LEU A 48 -1.734 5.479 1.782 1.00 1.16 C ATOM 737 CD1 LEU A 48 -1.024 6.590 1.006 1.00 1.62 C ATOM 738 CD2 LEU A 48 -0.669 4.594 2.436 1.00 0.83 C ATOM 0 H LEU A 48 -1.750 5.041 4.870 1.00 0.92 H new ATOM 0 HA LEU A 48 -1.463 7.545 3.504 1.00 1.07 H new ATOM 0 HB2 LEU A 48 -3.342 5.214 3.185 1.00 1.08 H new ATOM 0 HB3 LEU A 48 -3.469 6.671 2.220 1.00 1.08 H new ATOM 0 HG LEU A 48 -2.321 4.859 1.105 1.00 1.16 H new ATOM 0 HD11 LEU A 48 -0.302 6.149 0.318 1.00 1.62 H new ATOM 0 HD12 LEU A 48 -1.758 7.166 0.442 1.00 1.62 H new ATOM 0 HD13 LEU A 48 -0.505 7.247 1.704 1.00 1.62 H new ATOM 0 HD21 LEU A 48 0.023 4.234 1.674 1.00 0.83 H new ATOM 0 HD22 LEU A 48 -0.121 5.173 3.179 1.00 0.83 H new ATOM 0 HD23 LEU A 48 -1.150 3.744 2.921 1.00 0.83 H new ATOM 750 N ILE A 49 -3.791 7.215 5.778 1.00 1.29 N ATOM 751 CA ILE A 49 -4.721 7.991 6.588 1.00 1.24 C ATOM 752 C ILE A 49 -4.152 9.371 6.933 1.00 0.93 C ATOM 753 O ILE A 49 -4.901 10.338 7.037 1.00 1.44 O ATOM 754 CB ILE A 49 -5.143 7.224 7.856 1.00 1.76 C ATOM 755 CG1 ILE A 49 -3.944 6.704 8.655 1.00 1.29 C ATOM 756 CG2 ILE A 49 -6.054 6.062 7.453 1.00 3.47 C ATOM 757 CD1 ILE A 49 -4.289 6.472 10.129 1.00 2.21 C ATOM 0 H ILE A 49 -3.565 6.299 6.165 1.00 1.29 H new ATOM 0 HA ILE A 49 -5.617 8.149 5.988 1.00 1.24 H new ATOM 0 HB ILE A 49 -5.675 7.917 8.507 1.00 1.76 H new ATOM 0 HG12 ILE A 49 -3.593 5.771 8.214 1.00 1.29 H new ATOM 0 HG13 ILE A 49 -3.124 7.419 8.583 1.00 1.29 H new ATOM 0 HG21 ILE A 49 -6.358 5.512 8.344 1.00 3.47 H new ATOM 0 HG22 ILE A 49 -6.938 6.451 6.947 1.00 3.47 H new ATOM 0 HG23 ILE A 49 -5.516 5.394 6.781 1.00 3.47 H new ATOM 0 HD11 ILE A 49 -3.408 6.104 10.655 1.00 2.21 H new ATOM 0 HD12 ILE A 49 -4.614 7.410 10.579 1.00 2.21 H new ATOM 0 HD13 ILE A 49 -5.090 5.737 10.204 1.00 2.21 H new ATOM 769 N THR A 50 -2.828 9.474 7.072 1.00 1.70 N ATOM 770 CA THR A 50 -2.144 10.707 7.429 1.00 2.14 C ATOM 771 C THR A 50 -1.268 11.114 6.246 1.00 2.09 C ATOM 772 O THR A 50 -0.129 11.551 6.395 1.00 3.09 O ATOM 773 CB THR A 50 -1.363 10.469 8.730 1.00 2.81 C ATOM 774 OG1 THR A 50 -2.209 9.810 9.649 1.00 3.58 O ATOM 775 CG2 THR A 50 -0.891 11.771 9.385 1.00 3.29 C ATOM 0 H THR A 50 -2.195 8.686 6.936 1.00 1.70 H new ATOM 0 HA THR A 50 -2.830 11.532 7.623 1.00 2.14 H new ATOM 0 HB THR A 50 -0.484 9.877 8.476 1.00 2.81 H new ATOM 0 HG1 THR A 50 -1.723 9.650 10.485 1.00 3.58 H new ATOM 0 HG21 THR A 50 -0.345 11.541 10.300 1.00 3.29 H new ATOM 0 HG22 THR A 50 -0.237 12.308 8.698 1.00 3.29 H new ATOM 0 HG23 THR A 50 -1.754 12.392 9.624 1.00 3.29 H new ATOM 783 N ASN A 51 -1.802 10.957 5.037 1.00 1.17 N ATOM 784 CA ASN A 51 -1.162 11.395 3.812 1.00 0.98 C ATOM 785 C ASN A 51 -2.269 11.630 2.791 1.00 0.91 C ATOM 786 O ASN A 51 -3.443 11.568 3.144 1.00 1.72 O ATOM 787 CB ASN A 51 -0.169 10.324 3.339 1.00 1.31 C ATOM 788 CG ASN A 51 1.102 10.967 2.806 1.00 1.34 C ATOM 789 OD1 ASN A 51 1.071 11.729 1.844 1.00 1.53 O ATOM 790 ND2 ASN A 51 2.235 10.685 3.433 1.00 1.92 N ATOM 0 H ASN A 51 -2.708 10.513 4.885 1.00 1.17 H new ATOM 0 HA ASN A 51 -0.595 12.315 3.957 1.00 0.98 H new ATOM 0 HB2 ASN A 51 0.074 9.656 4.165 1.00 1.31 H new ATOM 0 HB3 ASN A 51 -0.628 9.714 2.561 1.00 1.31 H new ATOM 0 HD21 ASN A 51 3.110 11.105 3.119 1.00 1.92 H new ATOM 0 HD22 ASN A 51 2.232 10.048 4.230 1.00 1.92 H new ATOM 797 N LYS A 52 -1.923 11.883 1.526 1.00 0.72 N ATOM 798 CA LYS A 52 -2.903 11.828 0.442 1.00 0.93 C ATOM 799 C LYS A 52 -2.187 11.856 -0.904 1.00 0.70 C ATOM 800 O LYS A 52 -2.665 12.465 -1.850 1.00 0.90 O ATOM 801 CB LYS A 52 -3.948 12.960 0.614 1.00 1.57 C ATOM 802 CG LYS A 52 -5.328 12.335 0.873 1.00 1.83 C ATOM 803 CD LYS A 52 -6.317 13.295 1.552 1.00 2.17 C ATOM 804 CE LYS A 52 -7.258 12.479 2.452 1.00 3.57 C ATOM 805 NZ LYS A 52 -8.163 13.331 3.260 1.00 4.15 N ATOM 0 H LYS A 52 -0.978 12.126 1.230 1.00 0.72 H new ATOM 0 HA LYS A 52 -3.458 10.891 0.478 1.00 0.93 H new ATOM 0 HB2 LYS A 52 -3.667 13.608 1.444 1.00 1.57 H new ATOM 0 HB3 LYS A 52 -3.979 13.582 -0.280 1.00 1.57 H new ATOM 0 HG2 LYS A 52 -5.751 12.001 -0.075 1.00 1.83 H new ATOM 0 HG3 LYS A 52 -5.206 11.450 1.497 1.00 1.83 H new ATOM 0 HD2 LYS A 52 -5.779 14.037 2.142 1.00 2.17 H new ATOM 0 HD3 LYS A 52 -6.890 13.840 0.802 1.00 2.17 H new ATOM 0 HE2 LYS A 52 -7.854 11.809 1.833 1.00 3.57 H new ATOM 0 HE3 LYS A 52 -6.664 11.854 3.119 1.00 3.57 H new ATOM 0 HZ1 LYS A 52 -8.774 12.729 3.847 1.00 4.15 H new ATOM 0 HZ2 LYS A 52 -7.599 13.953 3.873 1.00 4.15 H new ATOM 0 HZ3 LYS A 52 -8.752 13.910 2.627 1.00 4.15 H new ATOM 819 N LYS A 53 -1.046 11.174 -1.013 1.00 0.51 N ATOM 820 CA LYS A 53 -0.211 11.229 -2.208 1.00 0.51 C ATOM 821 C LYS A 53 0.633 9.962 -2.291 1.00 0.52 C ATOM 822 O LYS A 53 0.528 9.098 -1.419 1.00 1.06 O ATOM 823 CB LYS A 53 0.661 12.496 -2.206 1.00 0.66 C ATOM 824 CG LYS A 53 1.739 12.483 -1.112 1.00 1.67 C ATOM 825 CD LYS A 53 3.134 12.715 -1.704 1.00 2.73 C ATOM 826 CE LYS A 53 4.219 12.447 -0.658 1.00 4.09 C ATOM 827 NZ LYS A 53 4.112 13.369 0.492 1.00 4.75 N ATOM 0 H LYS A 53 -0.678 10.571 -0.277 1.00 0.51 H new ATOM 0 HA LYS A 53 -0.845 11.281 -3.093 1.00 0.51 H new ATOM 0 HB2 LYS A 53 1.141 12.601 -3.179 1.00 0.66 H new ATOM 0 HB3 LYS A 53 0.023 13.369 -2.069 1.00 0.66 H new ATOM 0 HG2 LYS A 53 1.521 13.255 -0.374 1.00 1.67 H new ATOM 0 HG3 LYS A 53 1.718 11.527 -0.588 1.00 1.67 H new ATOM 0 HD2 LYS A 53 3.282 12.062 -2.564 1.00 2.73 H new ATOM 0 HD3 LYS A 53 3.215 13.740 -2.065 1.00 2.73 H new ATOM 0 HE2 LYS A 53 4.140 11.418 -0.307 1.00 4.09 H new ATOM 0 HE3 LYS A 53 5.201 12.552 -1.118 1.00 4.09 H new ATOM 0 HZ1 LYS A 53 4.930 13.237 1.120 1.00 4.75 H new ATOM 0 HZ2 LYS A 53 4.094 14.351 0.149 1.00 4.75 H new ATOM 0 HZ3 LYS A 53 3.237 13.169 1.017 1.00 4.75 H new ATOM 841 N CYS A 54 1.497 9.881 -3.299 1.00 0.65 N ATOM 842 CA CYS A 54 2.214 8.683 -3.674 1.00 0.54 C ATOM 843 C CYS A 54 3.712 9.007 -3.633 1.00 0.83 C ATOM 844 O CYS A 54 4.074 10.153 -3.893 1.00 1.12 O ATOM 845 CB CYS A 54 1.761 8.423 -5.111 1.00 0.75 C ATOM 846 SG CYS A 54 2.297 6.768 -5.692 1.00 1.13 S ATOM 0 H CYS A 54 1.719 10.680 -3.893 1.00 0.65 H new ATOM 0 HA CYS A 54 2.032 7.824 -3.028 1.00 0.54 H new ATOM 0 HB2 CYS A 54 0.675 8.497 -5.171 1.00 0.75 H new ATOM 0 HB3 CYS A 54 2.170 9.191 -5.768 1.00 0.75 H new ATOM 851 N PRO A 55 4.595 8.065 -3.274 1.00 1.25 N ATOM 852 CA PRO A 55 6.021 8.217 -3.496 1.00 1.81 C ATOM 853 C PRO A 55 6.342 7.794 -4.932 1.00 2.12 C ATOM 854 O PRO A 55 5.787 6.811 -5.414 1.00 3.80 O ATOM 855 CB PRO A 55 6.661 7.260 -2.491 1.00 2.31 C ATOM 856 CG PRO A 55 5.660 6.104 -2.431 1.00 2.19 C ATOM 857 CD PRO A 55 4.304 6.781 -2.657 1.00 1.55 C ATOM 0 HA PRO A 55 6.380 9.238 -3.367 1.00 1.81 H new ATOM 0 HB2 PRO A 55 7.644 6.926 -2.822 1.00 2.31 H new ATOM 0 HB3 PRO A 55 6.795 7.729 -1.516 1.00 2.31 H new ATOM 0 HG2 PRO A 55 5.866 5.356 -3.197 1.00 2.19 H new ATOM 0 HG3 PRO A 55 5.696 5.593 -1.469 1.00 2.19 H new ATOM 0 HD2 PRO A 55 3.667 6.174 -3.301 1.00 1.55 H new ATOM 0 HD3 PRO A 55 3.772 6.912 -1.715 1.00 1.55 H new ATOM 865 N ILE A 56 7.265 8.498 -5.597 1.00 1.60 N ATOM 866 CA ILE A 56 7.771 8.210 -6.944 1.00 1.78 C ATOM 867 C ILE A 56 6.808 8.765 -7.992 1.00 1.62 C ATOM 868 O ILE A 56 7.216 9.556 -8.839 1.00 2.40 O ATOM 869 CB ILE A 56 8.068 6.713 -7.194 1.00 2.11 C ATOM 870 CG1 ILE A 56 8.953 6.080 -6.101 1.00 2.86 C ATOM 871 CG2 ILE A 56 8.778 6.539 -8.546 1.00 2.95 C ATOM 872 CD1 ILE A 56 8.441 4.684 -5.732 1.00 4.27 C ATOM 0 H ILE A 56 7.701 9.325 -5.190 1.00 1.60 H new ATOM 0 HA ILE A 56 8.734 8.712 -7.030 1.00 1.78 H new ATOM 0 HB ILE A 56 7.104 6.205 -7.183 1.00 2.11 H new ATOM 0 HG12 ILE A 56 9.983 6.014 -6.453 1.00 2.86 H new ATOM 0 HG13 ILE A 56 8.958 6.717 -5.216 1.00 2.86 H new ATOM 0 HG21 ILE A 56 8.984 5.482 -8.715 1.00 2.95 H new ATOM 0 HG22 ILE A 56 8.139 6.916 -9.344 1.00 2.95 H new ATOM 0 HG23 ILE A 56 9.716 7.095 -8.539 1.00 2.95 H new ATOM 0 HD11 ILE A 56 9.079 4.255 -4.959 1.00 4.27 H new ATOM 0 HD12 ILE A 56 7.419 4.758 -5.359 1.00 4.27 H new ATOM 0 HD13 ILE A 56 8.460 4.045 -6.615 1.00 4.27 H new ATOM 884 N CYS A 57 5.540 8.349 -7.953 1.00 1.28 N ATOM 885 CA CYS A 57 4.473 9.026 -8.627 1.00 1.20 C ATOM 886 C CYS A 57 4.147 10.205 -7.705 1.00 1.68 C ATOM 887 O CYS A 57 4.763 10.413 -6.661 1.00 3.62 O ATOM 888 CB CYS A 57 3.311 8.014 -8.798 1.00 1.16 C ATOM 889 SG CYS A 57 3.022 7.008 -7.299 1.00 1.17 S ATOM 0 H CYS A 57 5.240 7.520 -7.441 1.00 1.28 H new ATOM 0 HA CYS A 57 4.699 9.396 -9.627 1.00 1.20 H new ATOM 0 HB2 CYS A 57 2.398 8.555 -9.049 1.00 1.16 H new ATOM 0 HB3 CYS A 57 3.531 7.353 -9.637 1.00 1.16 H new ATOM 894 N ARG A 58 3.164 10.990 -8.103 1.00 0.93 N ATOM 895 CA ARG A 58 2.608 12.060 -7.283 1.00 1.09 C ATOM 896 C ARG A 58 1.161 12.268 -7.691 1.00 1.01 C ATOM 897 O ARG A 58 0.814 13.265 -8.317 1.00 1.36 O ATOM 898 CB ARG A 58 3.431 13.357 -7.395 1.00 1.72 C ATOM 899 CG ARG A 58 3.075 14.314 -6.243 1.00 2.46 C ATOM 900 CD ARG A 58 2.478 15.648 -6.706 1.00 3.15 C ATOM 901 NE ARG A 58 2.143 16.490 -5.545 1.00 4.13 N ATOM 902 CZ ARG A 58 1.564 17.697 -5.587 1.00 5.17 C ATOM 903 NH1 ARG A 58 1.300 18.350 -4.453 1.00 6.13 N ATOM 904 NH2 ARG A 58 1.258 18.253 -6.759 1.00 5.48 N ATOM 0 H ARG A 58 2.720 10.905 -9.017 1.00 0.93 H new ATOM 0 HA ARG A 58 2.652 11.775 -6.232 1.00 1.09 H new ATOM 0 HB2 ARG A 58 4.496 13.124 -7.368 1.00 1.72 H new ATOM 0 HB3 ARG A 58 3.234 13.840 -8.352 1.00 1.72 H new ATOM 0 HG2 ARG A 58 2.365 13.820 -5.580 1.00 2.46 H new ATOM 0 HG3 ARG A 58 3.973 14.513 -5.658 1.00 2.46 H new ATOM 0 HD2 ARG A 58 3.189 16.169 -7.348 1.00 3.15 H new ATOM 0 HD3 ARG A 58 1.584 15.466 -7.302 1.00 3.15 H new ATOM 0 HE ARG A 58 2.373 16.119 -4.623 1.00 4.13 H new ATOM 0 HH11 ARG A 58 1.539 17.930 -3.555 1.00 6.13 H new ATOM 0 HH12 ARG A 58 0.859 19.269 -4.485 1.00 6.13 H new ATOM 0 HH21 ARG A 58 1.465 17.759 -7.627 1.00 5.48 H new ATOM 0 HH22 ARG A 58 0.817 19.172 -6.788 1.00 5.48 H new ATOM 918 N VAL A 59 0.324 11.300 -7.341 1.00 0.79 N ATOM 919 CA VAL A 59 -1.094 11.318 -7.629 1.00 0.74 C ATOM 920 C VAL A 59 -1.782 11.385 -6.279 1.00 0.64 C ATOM 921 O VAL A 59 -1.308 10.769 -5.322 1.00 0.65 O ATOM 922 CB VAL A 59 -1.459 10.044 -8.404 1.00 0.76 C ATOM 923 CG1 VAL A 59 -2.957 9.962 -8.711 1.00 1.14 C ATOM 924 CG2 VAL A 59 -0.687 9.992 -9.728 1.00 1.36 C ATOM 0 H VAL A 59 0.624 10.465 -6.838 1.00 0.79 H new ATOM 0 HA VAL A 59 -1.399 12.162 -8.247 1.00 0.74 H new ATOM 0 HB VAL A 59 -1.190 9.200 -7.769 1.00 0.76 H new ATOM 0 HG11 VAL A 59 -3.166 9.044 -9.260 1.00 1.14 H new ATOM 0 HG12 VAL A 59 -3.520 9.963 -7.778 1.00 1.14 H new ATOM 0 HG13 VAL A 59 -3.252 10.821 -9.314 1.00 1.14 H new ATOM 0 HG21 VAL A 59 -0.954 9.084 -10.269 1.00 1.36 H new ATOM 0 HG22 VAL A 59 -0.942 10.863 -10.332 1.00 1.36 H new ATOM 0 HG23 VAL A 59 0.384 9.992 -9.525 1.00 1.36 H new ATOM 934 N ASP A 60 -2.869 12.146 -6.190 1.00 0.68 N ATOM 935 CA ASP A 60 -3.621 12.229 -4.953 1.00 0.68 C ATOM 936 C ASP A 60 -4.370 10.909 -4.797 1.00 0.71 C ATOM 937 O ASP A 60 -5.090 10.478 -5.695 1.00 0.81 O ATOM 938 CB ASP A 60 -4.565 13.437 -4.959 1.00 0.82 C ATOM 939 CG ASP A 60 -3.813 14.774 -4.937 1.00 1.41 C ATOM 940 OD1 ASP A 60 -2.628 14.780 -4.532 1.00 2.45 O ATOM 941 OD2 ASP A 60 -4.431 15.780 -5.345 1.00 2.43 O ATOM 0 H ASP A 60 -3.242 12.708 -6.955 1.00 0.68 H new ATOM 0 HA ASP A 60 -2.958 12.381 -4.102 1.00 0.68 H new ATOM 0 HB2 ASP A 60 -5.197 13.395 -5.846 1.00 0.82 H new ATOM 0 HB3 ASP A 60 -5.225 13.382 -4.094 1.00 0.82 H new ATOM 946 N ILE A 61 -4.142 10.212 -3.683 1.00 0.67 N ATOM 947 CA ILE A 61 -4.647 8.865 -3.467 1.00 0.70 C ATOM 948 C ILE A 61 -6.142 8.887 -3.177 1.00 0.82 C ATOM 949 O ILE A 61 -6.841 7.907 -3.431 1.00 0.90 O ATOM 950 CB ILE A 61 -3.857 8.250 -2.303 1.00 0.66 C ATOM 951 CG1 ILE A 61 -2.350 8.278 -2.570 1.00 0.61 C ATOM 952 CG2 ILE A 61 -4.269 6.814 -2.000 1.00 0.73 C ATOM 953 CD1 ILE A 61 -2.005 7.771 -3.962 1.00 0.63 C ATOM 0 H ILE A 61 -3.596 10.574 -2.901 1.00 0.67 H new ATOM 0 HA ILE A 61 -4.513 8.260 -4.364 1.00 0.70 H new ATOM 0 HB ILE A 61 -4.093 8.868 -1.436 1.00 0.66 H new ATOM 0 HG12 ILE A 61 -1.981 9.297 -2.454 1.00 0.61 H new ATOM 0 HG13 ILE A 61 -1.839 7.667 -1.826 1.00 0.61 H new ATOM 0 HG21 ILE A 61 -3.676 6.433 -1.168 1.00 0.73 H new ATOM 0 HG22 ILE A 61 -5.326 6.787 -1.735 1.00 0.73 H new ATOM 0 HG23 ILE A 61 -4.100 6.194 -2.880 1.00 0.73 H new ATOM 0 HD11 ILE A 61 -0.925 7.809 -4.106 1.00 0.63 H new ATOM 0 HD12 ILE A 61 -2.349 6.742 -4.070 1.00 0.63 H new ATOM 0 HD13 ILE A 61 -2.493 8.397 -4.709 1.00 0.63 H new ATOM 965 N GLU A 62 -6.615 9.996 -2.613 1.00 0.89 N ATOM 966 CA GLU A 62 -8.016 10.220 -2.318 1.00 1.09 C ATOM 967 C GLU A 62 -8.549 11.194 -3.360 1.00 1.91 C ATOM 968 O GLU A 62 -7.825 12.098 -3.772 1.00 2.65 O ATOM 969 CB GLU A 62 -8.137 10.804 -0.904 1.00 1.65 C ATOM 970 CG GLU A 62 -9.579 10.913 -0.409 1.00 1.91 C ATOM 971 CD GLU A 62 -10.305 9.581 -0.558 1.00 3.25 C ATOM 972 OE1 GLU A 62 -10.876 9.387 -1.654 1.00 4.39 O ATOM 973 OE2 GLU A 62 -10.234 8.772 0.391 1.00 4.18 O ATOM 0 H GLU A 62 -6.016 10.777 -2.345 1.00 0.89 H new ATOM 0 HA GLU A 62 -8.591 9.295 -2.354 1.00 1.09 H new ATOM 0 HB2 GLU A 62 -7.570 10.180 -0.213 1.00 1.65 H new ATOM 0 HB3 GLU A 62 -7.680 11.794 -0.888 1.00 1.65 H new ATOM 0 HG2 GLU A 62 -9.587 11.222 0.636 1.00 1.91 H new ATOM 0 HG3 GLU A 62 -10.104 11.684 -0.973 1.00 1.91 H new ATOM 980 N ALA A 63 -9.809 11.041 -3.765 1.00 2.55 N ATOM 981 CA ALA A 63 -10.407 11.852 -4.818 1.00 3.66 C ATOM 982 C ALA A 63 -11.715 12.468 -4.321 1.00 4.22 C ATOM 983 O ALA A 63 -12.674 12.581 -5.077 1.00 5.28 O ATOM 984 CB ALA A 63 -10.602 10.983 -6.064 1.00 4.45 C ATOM 0 H ALA A 63 -10.444 10.348 -3.369 1.00 2.55 H new ATOM 0 HA ALA A 63 -9.750 12.679 -5.087 1.00 3.66 H new ATOM 0 HB1 ALA A 63 -11.049 11.581 -6.858 1.00 4.45 H new ATOM 0 HB2 ALA A 63 -9.636 10.602 -6.397 1.00 4.45 H new ATOM 0 HB3 ALA A 63 -11.259 10.147 -5.825 1.00 4.45 H new ATOM 990 N GLN A 64 -11.708 12.892 -3.051 1.00 4.03 N ATOM 991 CA GLN A 64 -12.838 13.405 -2.289 1.00 4.62 C ATOM 992 C GLN A 64 -13.821 12.276 -1.970 1.00 4.78 C ATOM 993 O GLN A 64 -14.422 11.682 -2.860 1.00 5.55 O ATOM 994 CB GLN A 64 -13.476 14.619 -2.990 1.00 6.06 C ATOM 995 CG GLN A 64 -14.395 15.435 -2.066 1.00 6.89 C ATOM 996 CD GLN A 64 -15.838 14.933 -2.062 1.00 7.52 C ATOM 997 OE1 GLN A 64 -16.568 15.122 -3.026 1.00 8.23 O ATOM 998 NE2 GLN A 64 -16.301 14.320 -0.980 1.00 7.75 N ATOM 0 H GLN A 64 -10.851 12.882 -2.497 1.00 4.03 H new ATOM 0 HA GLN A 64 -12.488 13.782 -1.328 1.00 4.62 H new ATOM 0 HB2 GLN A 64 -12.687 15.267 -3.372 1.00 6.06 H new ATOM 0 HB3 GLN A 64 -14.049 14.274 -3.850 1.00 6.06 H new ATOM 0 HG2 GLN A 64 -14.002 15.401 -1.050 1.00 6.89 H new ATOM 0 HG3 GLN A 64 -14.381 16.479 -2.379 1.00 6.89 H new ATOM 0 HE21 GLN A 64 -15.688 14.165 -0.180 1.00 7.75 H new ATOM 0 HE22 GLN A 64 -17.270 14.003 -0.949 1.00 7.75 H new ATOM 1007 N LEU A 65 -14.001 11.991 -0.679 1.00 4.84 N ATOM 1008 CA LEU A 65 -14.906 10.956 -0.203 1.00 5.70 C ATOM 1009 C LEU A 65 -15.932 11.602 0.721 1.00 6.00 C ATOM 1010 O LEU A 65 -15.654 12.663 1.286 1.00 6.14 O ATOM 1011 CB LEU A 65 -14.124 9.822 0.489 1.00 6.29 C ATOM 1012 CG LEU A 65 -13.624 10.124 1.915 1.00 7.09 C ATOM 1013 CD1 LEU A 65 -13.119 8.821 2.539 1.00 7.96 C ATOM 1014 CD2 LEU A 65 -12.508 11.174 1.924 1.00 7.72 C ATOM 0 H LEU A 65 -13.514 12.482 0.071 1.00 4.84 H new ATOM 0 HA LEU A 65 -15.431 10.496 -1.040 1.00 5.70 H new ATOM 0 HB2 LEU A 65 -14.761 8.938 0.527 1.00 6.29 H new ATOM 0 HB3 LEU A 65 -13.264 9.569 -0.131 1.00 6.29 H new ATOM 0 HG LEU A 65 -14.453 10.533 2.493 1.00 7.09 H new ATOM 0 HD11 LEU A 65 -12.761 9.016 3.550 1.00 7.96 H new ATOM 0 HD12 LEU A 65 -13.932 8.096 2.576 1.00 7.96 H new ATOM 0 HD13 LEU A 65 -12.304 8.421 1.936 1.00 7.96 H new ATOM 0 HD21 LEU A 65 -12.187 11.355 2.950 1.00 7.72 H new ATOM 0 HD22 LEU A 65 -11.663 10.812 1.338 1.00 7.72 H new ATOM 0 HD23 LEU A 65 -12.879 12.103 1.491 1.00 7.72 H new ATOM 1026 N PRO A 66 -17.122 11.010 0.871 1.00 6.71 N ATOM 1027 CA PRO A 66 -18.120 11.520 1.790 1.00 7.39 C ATOM 1028 C PRO A 66 -17.653 11.280 3.227 1.00 7.34 C ATOM 1029 O PRO A 66 -17.091 10.230 3.525 1.00 7.50 O ATOM 1030 CB PRO A 66 -19.397 10.741 1.457 1.00 8.63 C ATOM 1031 CG PRO A 66 -18.874 9.411 0.913 1.00 8.75 C ATOM 1032 CD PRO A 66 -17.591 9.814 0.191 1.00 7.53 C ATOM 0 HA PRO A 66 -18.289 12.593 1.697 1.00 7.39 H new ATOM 0 HB2 PRO A 66 -20.020 10.596 2.340 1.00 8.63 H new ATOM 0 HB3 PRO A 66 -20.005 11.265 0.720 1.00 8.63 H new ATOM 0 HG2 PRO A 66 -18.679 8.697 1.713 1.00 8.75 H new ATOM 0 HG3 PRO A 66 -19.588 8.944 0.235 1.00 8.75 H new ATOM 0 HD2 PRO A 66 -16.847 9.018 0.239 1.00 7.53 H new ATOM 0 HD3 PRO A 66 -17.780 10.011 -0.864 1.00 7.53 H new ATOM 1040 N SER A 67 -17.929 12.234 4.121 1.00 7.68 N ATOM 1041 CA SER A 67 -17.638 12.129 5.546 1.00 8.08 C ATOM 1042 C SER A 67 -16.148 11.909 5.828 1.00 8.04 C ATOM 1043 O SER A 67 -15.783 10.896 6.421 1.00 8.59 O ATOM 1044 CB SER A 67 -18.510 11.023 6.162 1.00 9.01 C ATOM 1045 OG SER A 67 -18.349 10.981 7.563 1.00 9.51 O ATOM 0 H SER A 67 -18.370 13.117 3.865 1.00 7.68 H new ATOM 0 HA SER A 67 -17.885 13.080 6.018 1.00 8.08 H new ATOM 0 HB2 SER A 67 -19.557 11.200 5.917 1.00 9.01 H new ATOM 0 HB3 SER A 67 -18.240 10.059 5.731 1.00 9.01 H new ATOM 0 HG SER A 67 -17.413 10.788 7.779 1.00 9.51 H new ATOM 1051 N GLU A 68 -15.295 12.880 5.483 1.00 8.05 N ATOM 1052 CA GLU A 68 -13.886 12.819 5.867 1.00 8.71 C ATOM 1053 C GLU A 68 -13.709 12.839 7.390 1.00 9.09 C ATOM 1054 O GLU A 68 -13.050 11.954 7.934 1.00 9.97 O ATOM 1055 CB GLU A 68 -13.055 13.917 5.180 1.00 9.13 C ATOM 1056 CG GLU A 68 -13.680 15.322 5.163 1.00 9.67 C ATOM 1057 CD GLU A 68 -12.654 16.404 4.808 1.00 10.53 C ATOM 1058 OE1 GLU A 68 -12.887 17.563 5.218 1.00 10.92 O ATOM 1059 OE2 GLU A 68 -11.675 16.072 4.096 1.00 11.22 O ATOM 0 H GLU A 68 -15.554 13.707 4.945 1.00 8.05 H new ATOM 0 HA GLU A 68 -13.502 11.862 5.513 1.00 8.71 H new ATOM 0 HB2 GLU A 68 -12.087 13.977 5.677 1.00 9.13 H new ATOM 0 HB3 GLU A 68 -12.866 13.612 4.151 1.00 9.13 H new ATOM 0 HG2 GLU A 68 -14.497 15.347 4.442 1.00 9.67 H new ATOM 0 HG3 GLU A 68 -14.111 15.538 6.140 1.00 9.67 H new ATOM 1066 N SER A 69 -14.303 13.828 8.067 1.00 8.84 N ATOM 1067 CA SER A 69 -14.007 14.164 9.457 1.00 9.42 C ATOM 1068 C SER A 69 -12.505 14.328 9.696 1.00 9.70 C ATOM 1069 O SER A 69 -11.816 14.774 8.753 1.00 9.79 O ATOM 1070 CB SER A 69 -14.622 13.124 10.389 1.00 9.98 C ATOM 1071 OG SER A 69 -16.027 13.083 10.202 1.00 10.36 O ATOM 1072 OXT SER A 69 -12.087 14.064 10.845 1.00 10.17 O ATOM 0 H SER A 69 -15.017 14.427 7.652 1.00 8.84 H new ATOM 0 HA SER A 69 -14.459 15.131 9.679 1.00 9.42 H new ATOM 0 HB2 SER A 69 -14.191 12.143 10.190 1.00 9.98 H new ATOM 0 HB3 SER A 69 -14.391 13.369 11.426 1.00 9.98 H new ATOM 0 HG SER A 69 -16.417 12.413 10.801 1.00 10.36 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.705 -5.058 6.656 1.00 0.99 ZN HETATM 1080 ZN ZN A 102 1.855 5.168 -7.247 1.00 0.78 ZN