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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.112) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= -0.0542 (180deg=-0.0542) USER MOD Single : A 18 THR OG1 : rot -94:sc= 1.99 USER MOD Single : A 22 SER OG : rot -69:sc= 0.615 USER MOD Single : A 36 MET CE :methyl 170:sc= 0 (180deg=-0.104) USER MOD Single : A 41 GLN : amide:sc= 0.217 K(o=0.22,f=-0.95) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 51 ASN : amide:sc= -0.278 K(o=-0.28,f=-5!) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= 0.974 (180deg=0.745) USER MOD Single : A 53 LYS NZ :NH3+ -127:sc= -0.306 (180deg=-0.75) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 109:sc= 0.798 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.311 -34.108 1.202 1.00 13.98 N ATOM 2 CA MET A 1 25.697 -33.457 -0.062 1.00 14.16 C ATOM 3 C MET A 1 24.465 -32.850 -0.711 1.00 13.81 C ATOM 4 O MET A 1 24.181 -31.702 -0.397 1.00 14.23 O ATOM 5 CB MET A 1 26.485 -34.389 -0.993 1.00 14.78 C ATOM 6 CG MET A 1 27.904 -34.567 -0.446 1.00 15.50 C ATOM 7 SD MET A 1 28.974 -35.654 -1.423 1.00 16.31 S ATOM 8 CE MET A 1 28.327 -37.276 -0.941 1.00 16.69 C ATOM 0 H1 MET A 1 26.162 -34.298 1.768 1.00 13.98 H new ATOM 0 H2 MET A 1 24.674 -33.482 1.734 1.00 13.98 H new ATOM 0 H3 MET A 1 24.824 -35.004 0.997 1.00 13.98 H new ATOM 0 HA MET A 1 26.394 -32.648 0.157 1.00 14.16 H new ATOM 0 HB2 MET A 1 25.987 -35.356 -1.066 1.00 14.78 H new ATOM 0 HB3 MET A 1 26.520 -33.972 -1.999 1.00 14.78 H new ATOM 0 HG2 MET A 1 28.375 -33.587 -0.376 1.00 15.50 H new ATOM 0 HG3 MET A 1 27.839 -34.963 0.568 1.00 15.50 H new ATOM 0 HE1 MET A 1 28.883 -38.058 -1.459 1.00 16.69 H new ATOM 0 HE2 MET A 1 28.436 -37.406 0.136 1.00 16.69 H new ATOM 0 HE3 MET A 1 27.273 -37.342 -1.210 1.00 16.69 H new ATOM 20 N LYS A 2 23.728 -33.606 -1.541 1.00 13.38 N ATOM 21 CA LYS A 2 22.787 -33.103 -2.549 1.00 13.38 C ATOM 22 C LYS A 2 23.453 -32.085 -3.477 1.00 13.11 C ATOM 23 O LYS A 2 24.586 -31.668 -3.254 1.00 13.28 O ATOM 24 CB LYS A 2 21.438 -32.624 -1.968 1.00 13.49 C ATOM 25 CG LYS A 2 21.492 -31.317 -1.163 1.00 13.78 C ATOM 26 CD LYS A 2 20.143 -30.594 -1.141 1.00 14.37 C ATOM 27 CE LYS A 2 20.293 -29.316 -0.309 1.00 15.10 C ATOM 28 NZ LYS A 2 19.136 -28.410 -0.480 1.00 15.79 N ATOM 0 H LYS A 2 23.775 -34.625 -1.526 1.00 13.38 H new ATOM 0 HA LYS A 2 22.512 -33.959 -3.166 1.00 13.38 H new ATOM 0 HB2 LYS A 2 20.733 -32.495 -2.790 1.00 13.49 H new ATOM 0 HB3 LYS A 2 21.039 -33.410 -1.326 1.00 13.49 H new ATOM 0 HG2 LYS A 2 21.802 -31.535 -0.141 1.00 13.78 H new ATOM 0 HG3 LYS A 2 22.248 -30.659 -1.592 1.00 13.78 H new ATOM 0 HD2 LYS A 2 19.826 -30.351 -2.155 1.00 14.37 H new ATOM 0 HD3 LYS A 2 19.375 -31.238 -0.713 1.00 14.37 H new ATOM 0 HE2 LYS A 2 20.397 -29.578 0.744 1.00 15.10 H new ATOM 0 HE3 LYS A 2 21.207 -28.798 -0.600 1.00 15.10 H new ATOM 0 HZ1 LYS A 2 19.275 -27.557 0.099 1.00 15.79 H new ATOM 0 HZ2 LYS A 2 19.052 -28.140 -1.481 1.00 15.79 H new ATOM 0 HZ3 LYS A 2 18.267 -28.896 -0.178 1.00 15.79 H new ATOM 42 N GLN A 3 22.765 -31.725 -4.558 1.00 13.00 N ATOM 43 CA GLN A 3 23.259 -30.758 -5.522 1.00 12.91 C ATOM 44 C GLN A 3 22.061 -30.264 -6.300 1.00 12.64 C ATOM 45 O GLN A 3 21.983 -30.405 -7.515 1.00 13.53 O ATOM 46 CB GLN A 3 24.332 -31.412 -6.412 1.00 13.86 C ATOM 47 CG GLN A 3 25.185 -30.367 -7.135 1.00 14.23 C ATOM 48 CD GLN A 3 26.349 -31.034 -7.862 1.00 15.33 C ATOM 49 OE1 GLN A 3 27.266 -31.554 -7.239 1.00 15.71 O ATOM 50 NE2 GLN A 3 26.342 -31.039 -9.188 1.00 16.14 N ATOM 0 H GLN A 3 21.845 -32.101 -4.787 1.00 13.00 H new ATOM 0 HA GLN A 3 23.745 -29.907 -5.044 1.00 12.91 H new ATOM 0 HB2 GLN A 3 24.974 -32.046 -5.801 1.00 13.86 H new ATOM 0 HB3 GLN A 3 23.851 -32.059 -7.145 1.00 13.86 H new ATOM 0 HG2 GLN A 3 24.570 -29.818 -7.848 1.00 14.23 H new ATOM 0 HG3 GLN A 3 25.566 -29.641 -6.417 1.00 14.23 H new ATOM 0 HE21 GLN A 3 25.572 -30.603 -9.696 1.00 16.14 H new ATOM 0 HE22 GLN A 3 27.106 -31.479 -9.700 1.00 16.14 H new ATOM 59 N ASP A 4 21.121 -29.682 -5.561 1.00 11.61 N ATOM 60 CA ASP A 4 20.008 -29.002 -6.163 1.00 11.38 C ATOM 61 C ASP A 4 19.668 -27.833 -5.258 1.00 10.52 C ATOM 62 O ASP A 4 19.745 -27.940 -4.025 1.00 10.46 O ATOM 63 CB ASP A 4 18.809 -29.935 -6.361 1.00 11.47 C ATOM 64 CG ASP A 4 18.054 -29.543 -7.629 1.00 12.15 C ATOM 65 OD1 ASP A 4 17.374 -30.433 -8.182 1.00 12.91 O ATOM 66 OD2 ASP A 4 18.210 -28.370 -8.042 1.00 12.22 O ATOM 0 H ASP A 4 21.120 -29.675 -4.541 1.00 11.61 H new ATOM 0 HA ASP A 4 20.269 -28.651 -7.161 1.00 11.38 H new ATOM 0 HB2 ASP A 4 19.148 -30.968 -6.433 1.00 11.47 H new ATOM 0 HB3 ASP A 4 18.145 -29.877 -5.499 1.00 11.47 H new ATOM 71 N GLY A 5 19.368 -26.715 -5.897 1.00 10.15 N ATOM 72 CA GLY A 5 18.959 -25.481 -5.254 1.00 9.40 C ATOM 73 C GLY A 5 17.443 -25.329 -5.349 1.00 8.65 C ATOM 74 O GLY A 5 16.724 -26.317 -5.470 1.00 8.80 O ATOM 0 H GLY A 5 19.404 -26.641 -6.914 1.00 10.15 H new ATOM 0 HA2 GLY A 5 19.269 -25.484 -4.209 1.00 9.40 H new ATOM 0 HA3 GLY A 5 19.450 -24.632 -5.730 1.00 9.40 H new ATOM 78 N GLU A 6 16.940 -24.097 -5.270 1.00 8.06 N ATOM 79 CA GLU A 6 15.524 -23.808 -5.434 1.00 7.47 C ATOM 80 C GLU A 6 15.412 -22.349 -5.890 1.00 7.12 C ATOM 81 O GLU A 6 16.425 -21.650 -5.946 1.00 7.50 O ATOM 82 CB GLU A 6 14.789 -24.085 -4.112 1.00 7.16 C ATOM 83 CG GLU A 6 13.340 -24.528 -4.347 1.00 7.75 C ATOM 84 CD GLU A 6 12.716 -25.053 -3.051 1.00 7.85 C ATOM 85 OE1 GLU A 6 12.733 -26.290 -2.862 1.00 8.29 O ATOM 86 OE2 GLU A 6 12.245 -24.210 -2.257 1.00 7.92 O ATOM 0 H GLU A 6 17.510 -23.271 -5.089 1.00 8.06 H new ATOM 0 HA GLU A 6 15.055 -24.445 -6.184 1.00 7.47 H new ATOM 0 HB2 GLU A 6 15.320 -24.858 -3.556 1.00 7.16 H new ATOM 0 HB3 GLU A 6 14.799 -23.186 -3.496 1.00 7.16 H new ATOM 0 HG2 GLU A 6 12.755 -23.689 -4.724 1.00 7.75 H new ATOM 0 HG3 GLU A 6 13.312 -25.305 -5.111 1.00 7.75 H new ATOM 93 N GLU A 7 14.214 -21.875 -6.229 1.00 6.65 N ATOM 94 CA GLU A 7 14.018 -20.529 -6.751 1.00 6.41 C ATOM 95 C GLU A 7 12.690 -19.972 -6.233 1.00 5.51 C ATOM 96 O GLU A 7 11.981 -20.658 -5.499 1.00 5.43 O ATOM 97 CB GLU A 7 14.083 -20.553 -8.289 1.00 7.25 C ATOM 98 CG GLU A 7 14.996 -19.433 -8.796 1.00 8.07 C ATOM 99 CD GLU A 7 15.086 -19.432 -10.323 1.00 9.38 C ATOM 100 OE1 GLU A 7 14.128 -18.926 -10.947 1.00 10.25 O ATOM 101 OE2 GLU A 7 16.109 -19.928 -10.844 1.00 9.85 O ATOM 0 H GLU A 7 13.353 -22.416 -6.148 1.00 6.65 H new ATOM 0 HA GLU A 7 14.812 -19.868 -6.404 1.00 6.41 H new ATOM 0 HB2 GLU A 7 14.456 -21.519 -8.630 1.00 7.25 H new ATOM 0 HB3 GLU A 7 13.083 -20.433 -8.705 1.00 7.25 H new ATOM 0 HG2 GLU A 7 14.618 -18.470 -8.452 1.00 8.07 H new ATOM 0 HG3 GLU A 7 15.993 -19.554 -8.372 1.00 8.07 H new ATOM 108 N GLY A 8 12.365 -18.725 -6.586 1.00 5.21 N ATOM 109 CA GLY A 8 11.183 -18.039 -6.085 1.00 4.68 C ATOM 110 C GLY A 8 10.059 -18.053 -7.118 1.00 4.77 C ATOM 111 O GLY A 8 9.873 -19.031 -7.838 1.00 5.53 O ATOM 0 H GLY A 8 12.922 -18.165 -7.231 1.00 5.21 H new ATOM 0 HA2 GLY A 8 10.843 -18.518 -5.167 1.00 4.68 H new ATOM 0 HA3 GLY A 8 11.436 -17.009 -5.833 1.00 4.68 H new ATOM 115 N THR A 9 9.278 -16.975 -7.179 1.00 4.56 N ATOM 116 CA THR A 9 8.178 -16.848 -8.116 1.00 5.26 C ATOM 117 C THR A 9 7.946 -15.347 -8.333 1.00 4.78 C ATOM 118 O THR A 9 8.887 -14.571 -8.182 1.00 4.40 O ATOM 119 CB THR A 9 6.974 -17.644 -7.578 1.00 6.42 C ATOM 120 OG1 THR A 9 5.925 -17.691 -8.523 1.00 7.57 O ATOM 121 CG2 THR A 9 6.437 -17.095 -6.257 1.00 6.60 C ATOM 0 H THR A 9 9.397 -16.163 -6.573 1.00 4.56 H new ATOM 0 HA THR A 9 8.379 -17.278 -9.097 1.00 5.26 H new ATOM 0 HB THR A 9 7.347 -18.651 -7.394 1.00 6.42 H new ATOM 0 HG1 THR A 9 5.176 -18.204 -8.155 1.00 7.57 H new ATOM 0 HG21 THR A 9 5.590 -17.698 -5.930 1.00 6.60 H new ATOM 0 HG22 THR A 9 7.222 -17.132 -5.502 1.00 6.60 H new ATOM 0 HG23 THR A 9 6.115 -16.063 -6.396 1.00 6.60 H new ATOM 129 N GLU A 10 6.725 -14.945 -8.685 1.00 5.35 N ATOM 130 CA GLU A 10 6.310 -13.555 -8.847 1.00 5.15 C ATOM 131 C GLU A 10 6.781 -12.722 -7.647 1.00 4.05 C ATOM 132 O GLU A 10 6.446 -13.060 -6.511 1.00 4.21 O ATOM 133 CB GLU A 10 4.771 -13.528 -8.961 1.00 6.19 C ATOM 134 CG GLU A 10 4.280 -12.874 -10.255 1.00 6.63 C ATOM 135 CD GLU A 10 4.465 -13.799 -11.458 1.00 7.39 C ATOM 136 OE1 GLU A 10 3.435 -14.256 -12.003 1.00 8.46 O ATOM 137 OE2 GLU A 10 5.638 -14.057 -11.810 1.00 7.24 O ATOM 0 H GLU A 10 5.970 -15.605 -8.872 1.00 5.35 H new ATOM 0 HA GLU A 10 6.755 -13.125 -9.745 1.00 5.15 H new ATOM 0 HB2 GLU A 10 4.390 -14.548 -8.908 1.00 6.19 H new ATOM 0 HB3 GLU A 10 4.358 -12.989 -8.108 1.00 6.19 H new ATOM 0 HG2 GLU A 10 3.226 -12.613 -10.155 1.00 6.63 H new ATOM 0 HG3 GLU A 10 4.824 -11.945 -10.423 1.00 6.63 H new ATOM 144 N GLU A 11 7.548 -11.643 -7.856 1.00 3.44 N ATOM 145 CA GLU A 11 7.901 -10.762 -6.755 1.00 2.62 C ATOM 146 C GLU A 11 8.216 -9.338 -7.218 1.00 2.70 C ATOM 147 O GLU A 11 8.596 -9.112 -8.363 1.00 4.00 O ATOM 148 CB GLU A 11 9.063 -11.320 -5.915 1.00 2.48 C ATOM 149 CG GLU A 11 10.453 -11.250 -6.573 1.00 3.64 C ATOM 150 CD GLU A 11 11.551 -11.313 -5.509 1.00 3.99 C ATOM 151 OE1 GLU A 11 12.358 -12.269 -5.554 1.00 4.73 O ATOM 152 OE2 GLU A 11 11.568 -10.389 -4.658 1.00 4.27 O ATOM 0 H GLU A 11 7.926 -11.370 -8.763 1.00 3.44 H new ATOM 0 HA GLU A 11 7.015 -10.715 -6.121 1.00 2.62 H new ATOM 0 HB2 GLU A 11 9.100 -10.776 -4.971 1.00 2.48 H new ATOM 0 HB3 GLU A 11 8.847 -12.361 -5.674 1.00 2.48 H new ATOM 0 HG2 GLU A 11 10.571 -12.074 -7.276 1.00 3.64 H new ATOM 0 HG3 GLU A 11 10.545 -10.327 -7.146 1.00 3.64 H new ATOM 159 N ASP A 12 8.091 -8.418 -6.255 1.00 1.92 N ATOM 160 CA ASP A 12 8.345 -6.978 -6.273 1.00 1.99 C ATOM 161 C ASP A 12 7.043 -6.229 -6.522 1.00 1.94 C ATOM 162 O ASP A 12 6.380 -6.439 -7.528 1.00 2.22 O ATOM 163 CB ASP A 12 9.439 -6.497 -7.233 1.00 2.33 C ATOM 164 CG ASP A 12 9.751 -5.024 -6.933 1.00 2.88 C ATOM 165 OD1 ASP A 12 10.519 -4.418 -7.707 1.00 3.05 O ATOM 166 OD2 ASP A 12 9.222 -4.519 -5.909 1.00 4.00 O ATOM 0 H ASP A 12 7.769 -8.705 -5.331 1.00 1.92 H new ATOM 0 HA ASP A 12 8.745 -6.751 -5.285 1.00 1.99 H new ATOM 0 HB2 ASP A 12 10.337 -7.104 -7.116 1.00 2.33 H new ATOM 0 HB3 ASP A 12 9.110 -6.610 -8.266 1.00 2.33 H new ATOM 171 N THR A 13 6.657 -5.365 -5.578 1.00 1.96 N ATOM 172 CA THR A 13 5.407 -4.616 -5.636 1.00 1.99 C ATOM 173 C THR A 13 4.220 -5.554 -5.928 1.00 1.76 C ATOM 174 O THR A 13 3.226 -5.161 -6.527 1.00 1.82 O ATOM 175 CB THR A 13 5.614 -3.469 -6.640 1.00 2.05 C ATOM 176 OG1 THR A 13 6.798 -2.779 -6.273 1.00 2.26 O ATOM 177 CG2 THR A 13 4.487 -2.430 -6.630 1.00 2.80 C ATOM 0 H THR A 13 7.212 -5.167 -4.746 1.00 1.96 H new ATOM 0 HA THR A 13 5.143 -4.167 -4.679 1.00 1.99 H new ATOM 0 HB THR A 13 5.652 -3.921 -7.631 1.00 2.05 H new ATOM 0 HG1 THR A 13 6.955 -2.042 -6.900 1.00 2.26 H new ATOM 0 HG21 THR A 13 4.702 -1.653 -7.363 1.00 2.80 H new ATOM 0 HG22 THR A 13 3.543 -2.914 -6.881 1.00 2.80 H new ATOM 0 HG23 THR A 13 4.413 -1.983 -5.639 1.00 2.80 H new ATOM 185 N GLU A 14 4.325 -6.802 -5.457 1.00 1.58 N ATOM 186 CA GLU A 14 3.503 -7.910 -5.918 1.00 1.29 C ATOM 187 C GLU A 14 2.494 -8.259 -4.832 1.00 1.07 C ATOM 188 O GLU A 14 1.289 -8.246 -5.060 1.00 1.29 O ATOM 189 CB GLU A 14 4.424 -9.097 -6.231 1.00 1.33 C ATOM 190 CG GLU A 14 3.854 -10.005 -7.319 1.00 1.32 C ATOM 191 CD GLU A 14 3.928 -9.343 -8.697 1.00 2.56 C ATOM 192 OE1 GLU A 14 4.951 -9.563 -9.382 1.00 3.16 O ATOM 193 OE2 GLU A 14 2.961 -8.627 -9.041 1.00 3.84 O ATOM 0 H GLU A 14 4.995 -7.067 -4.735 1.00 1.58 H new ATOM 0 HA GLU A 14 2.953 -7.647 -6.822 1.00 1.29 H new ATOM 0 HB2 GLU A 14 5.398 -8.724 -6.546 1.00 1.33 H new ATOM 0 HB3 GLU A 14 4.584 -9.679 -5.323 1.00 1.33 H new ATOM 0 HG2 GLU A 14 4.405 -10.945 -7.336 1.00 1.32 H new ATOM 0 HG3 GLU A 14 2.817 -10.248 -7.086 1.00 1.32 H new ATOM 200 N GLU A 15 2.983 -8.516 -3.616 1.00 0.94 N ATOM 201 CA GLU A 15 2.139 -8.610 -2.440 1.00 0.79 C ATOM 202 C GLU A 15 3.011 -8.285 -1.220 1.00 0.73 C ATOM 203 O GLU A 15 3.355 -9.163 -0.432 1.00 0.79 O ATOM 204 CB GLU A 15 1.480 -10.002 -2.361 1.00 0.77 C ATOM 205 CG GLU A 15 0.132 -9.897 -1.640 1.00 1.93 C ATOM 206 CD GLU A 15 -0.400 -11.270 -1.222 1.00 2.59 C ATOM 207 OE1 GLU A 15 -0.170 -11.636 -0.047 1.00 3.72 O ATOM 208 OE2 GLU A 15 -1.022 -11.942 -2.072 1.00 3.18 O ATOM 0 H GLU A 15 3.975 -8.663 -3.428 1.00 0.94 H new ATOM 0 HA GLU A 15 1.316 -7.897 -2.481 1.00 0.79 H new ATOM 0 HB2 GLU A 15 1.336 -10.404 -3.364 1.00 0.77 H new ATOM 0 HB3 GLU A 15 2.134 -10.695 -1.831 1.00 0.77 H new ATOM 0 HG2 GLU A 15 0.240 -9.266 -0.758 1.00 1.93 H new ATOM 0 HG3 GLU A 15 -0.592 -9.411 -2.293 1.00 1.93 H new ATOM 215 N LYS A 16 3.431 -7.020 -1.073 1.00 0.84 N ATOM 216 CA LYS A 16 4.329 -6.633 0.020 1.00 0.82 C ATOM 217 C LYS A 16 3.869 -5.323 0.651 1.00 0.76 C ATOM 218 O LYS A 16 3.816 -4.303 -0.030 1.00 0.85 O ATOM 219 CB LYS A 16 5.788 -6.513 -0.481 1.00 0.94 C ATOM 220 CG LYS A 16 6.251 -7.766 -1.245 1.00 1.03 C ATOM 221 CD LYS A 16 7.770 -7.904 -1.450 1.00 1.24 C ATOM 222 CE LYS A 16 8.300 -6.857 -2.423 1.00 1.52 C ATOM 223 NZ LYS A 16 9.700 -7.126 -2.844 1.00 1.83 N ATOM 0 H LYS A 16 3.165 -6.255 -1.693 1.00 0.84 H new ATOM 0 HA LYS A 16 4.295 -7.413 0.780 1.00 0.82 H new ATOM 0 HB2 LYS A 16 5.876 -5.642 -1.130 1.00 0.94 H new ATOM 0 HB3 LYS A 16 6.449 -6.345 0.369 1.00 0.94 H new ATOM 0 HG2 LYS A 16 5.894 -8.646 -0.710 1.00 1.03 H new ATOM 0 HG3 LYS A 16 5.770 -7.770 -2.223 1.00 1.03 H new ATOM 0 HD2 LYS A 16 8.278 -7.802 -0.491 1.00 1.24 H new ATOM 0 HD3 LYS A 16 7.998 -8.901 -1.827 1.00 1.24 H new ATOM 0 HE2 LYS A 16 7.659 -6.827 -3.304 1.00 1.52 H new ATOM 0 HE3 LYS A 16 8.247 -5.873 -1.957 1.00 1.52 H new ATOM 0 HZ1 LYS A 16 10.012 -6.386 -3.505 1.00 1.83 H new ATOM 0 HZ2 LYS A 16 10.319 -7.128 -2.009 1.00 1.83 H new ATOM 0 HZ3 LYS A 16 9.749 -8.052 -3.314 1.00 1.83 H new ATOM 237 N CYS A 17 3.548 -5.340 1.947 1.00 0.63 N ATOM 238 CA CYS A 17 3.116 -4.174 2.693 1.00 0.61 C ATOM 239 C CYS A 17 4.372 -3.379 3.032 1.00 0.62 C ATOM 240 O CYS A 17 5.182 -3.777 3.867 1.00 0.65 O ATOM 241 CB CYS A 17 2.386 -4.651 3.954 1.00 0.62 C ATOM 242 SG CYS A 17 1.835 -3.287 5.026 1.00 0.58 S ATOM 0 H CYS A 17 3.585 -6.188 2.512 1.00 0.63 H new ATOM 0 HA CYS A 17 2.429 -3.543 2.129 1.00 0.61 H new ATOM 0 HB2 CYS A 17 1.521 -5.246 3.661 1.00 0.62 H new ATOM 0 HB3 CYS A 17 3.046 -5.306 4.522 1.00 0.62 H new ATOM 247 N THR A 18 4.543 -2.234 2.382 1.00 0.66 N ATOM 248 CA THR A 18 5.693 -1.382 2.630 1.00 0.72 C ATOM 249 C THR A 18 5.502 -0.633 3.945 1.00 0.60 C ATOM 250 O THR A 18 6.462 -0.162 4.539 1.00 1.08 O ATOM 251 CB THR A 18 5.810 -0.412 1.460 1.00 1.27 C ATOM 252 OG1 THR A 18 4.545 0.192 1.300 1.00 1.55 O ATOM 253 CG2 THR A 18 6.202 -1.171 0.186 1.00 1.58 C ATOM 0 H THR A 18 3.897 -1.876 1.678 1.00 0.66 H new ATOM 0 HA THR A 18 6.607 -1.970 2.713 1.00 0.72 H new ATOM 0 HB THR A 18 6.577 0.339 1.648 1.00 1.27 H new ATOM 0 HG1 THR A 18 4.026 -0.308 0.636 1.00 1.55 H new ATOM 0 HG21 THR A 18 6.283 -0.470 -0.645 1.00 1.58 H new ATOM 0 HG22 THR A 18 7.161 -1.666 0.338 1.00 1.58 H new ATOM 0 HG23 THR A 18 5.441 -1.917 -0.042 1.00 1.58 H new ATOM 261 N ILE A 19 4.252 -0.517 4.394 1.00 0.67 N ATOM 262 CA ILE A 19 3.857 0.267 5.546 1.00 0.64 C ATOM 263 C ILE A 19 4.395 -0.382 6.815 1.00 0.61 C ATOM 264 O ILE A 19 5.096 0.251 7.599 1.00 0.79 O ATOM 265 CB ILE A 19 2.332 0.376 5.584 1.00 0.64 C ATOM 266 CG1 ILE A 19 1.829 0.749 4.177 1.00 0.73 C ATOM 267 CG2 ILE A 19 1.959 1.387 6.674 1.00 0.72 C ATOM 268 CD1 ILE A 19 0.499 1.462 4.184 1.00 0.87 C ATOM 0 H ILE A 19 3.466 -0.986 3.944 1.00 0.67 H new ATOM 0 HA ILE A 19 4.273 1.272 5.476 1.00 0.64 H new ATOM 0 HB ILE A 19 1.848 -0.566 5.842 1.00 0.64 H new ATOM 0 HG12 ILE A 19 2.570 1.383 3.691 1.00 0.73 H new ATOM 0 HG13 ILE A 19 1.743 -0.158 3.578 1.00 0.73 H new ATOM 0 HG21 ILE A 19 0.875 1.485 6.724 1.00 0.72 H new ATOM 0 HG22 ILE A 19 2.336 1.041 7.636 1.00 0.72 H new ATOM 0 HG23 ILE A 19 2.400 2.355 6.439 1.00 0.72 H new ATOM 0 HD11 ILE A 19 0.205 1.695 3.160 1.00 0.87 H new ATOM 0 HD12 ILE A 19 -0.255 0.821 4.641 1.00 0.87 H new ATOM 0 HD13 ILE A 19 0.585 2.386 4.756 1.00 0.87 H new ATOM 280 N CYS A 20 4.042 -1.654 7.009 1.00 0.54 N ATOM 281 CA CYS A 20 4.484 -2.461 8.133 1.00 0.65 C ATOM 282 C CYS A 20 5.771 -3.210 7.762 1.00 0.77 C ATOM 283 O CYS A 20 6.186 -4.102 8.500 1.00 0.97 O ATOM 284 CB CYS A 20 3.360 -3.447 8.493 1.00 0.78 C ATOM 285 SG CYS A 20 2.775 -4.377 7.042 1.00 1.23 S ATOM 0 H CYS A 20 3.426 -2.157 6.370 1.00 0.54 H new ATOM 0 HA CYS A 20 4.701 -1.829 8.994 1.00 0.65 H new ATOM 0 HB2 CYS A 20 3.719 -4.145 9.250 1.00 0.78 H new ATOM 0 HB3 CYS A 20 2.526 -2.900 8.933 1.00 0.78 H new ATOM 290 N LEU A 21 6.407 -2.854 6.637 1.00 0.80 N ATOM 291 CA LEU A 21 7.671 -3.407 6.168 1.00 0.99 C ATOM 292 C LEU A 21 7.674 -4.938 6.233 1.00 1.09 C ATOM 293 O LEU A 21 8.643 -5.542 6.691 1.00 1.40 O ATOM 294 CB LEU A 21 8.822 -2.770 6.970 1.00 1.13 C ATOM 295 CG LEU A 21 8.958 -1.263 6.691 1.00 1.42 C ATOM 296 CD1 LEU A 21 9.328 -0.496 7.963 1.00 1.66 C ATOM 297 CD2 LEU A 21 10.020 -1.010 5.616 1.00 1.75 C ATOM 0 H LEU A 21 6.034 -2.143 6.008 1.00 0.80 H new ATOM 0 HA LEU A 21 7.812 -3.162 5.115 1.00 0.99 H new ATOM 0 HB2 LEU A 21 8.651 -2.927 8.035 1.00 1.13 H new ATOM 0 HB3 LEU A 21 9.758 -3.270 6.720 1.00 1.13 H new ATOM 0 HG LEU A 21 7.991 -0.905 6.336 1.00 1.42 H new ATOM 0 HD11 LEU A 21 9.417 0.566 7.735 1.00 1.66 H new ATOM 0 HD12 LEU A 21 8.552 -0.642 8.714 1.00 1.66 H new ATOM 0 HD13 LEU A 21 10.279 -0.865 8.347 1.00 1.66 H new ATOM 0 HD21 LEU A 21 10.103 0.061 5.431 1.00 1.75 H new ATOM 0 HD22 LEU A 21 10.981 -1.395 5.956 1.00 1.75 H new ATOM 0 HD23 LEU A 21 9.732 -1.516 4.694 1.00 1.75 H new ATOM 309 N SER A 22 6.607 -5.588 5.760 1.00 0.89 N ATOM 310 CA SER A 22 6.539 -7.042 5.745 1.00 1.01 C ATOM 311 C SER A 22 5.764 -7.538 4.529 1.00 0.82 C ATOM 312 O SER A 22 4.865 -6.879 4.015 1.00 0.65 O ATOM 313 CB SER A 22 5.949 -7.574 7.059 1.00 1.14 C ATOM 314 OG SER A 22 5.047 -6.666 7.651 1.00 1.23 O ATOM 0 H SER A 22 5.780 -5.125 5.383 1.00 0.89 H new ATOM 0 HA SER A 22 7.553 -7.434 5.663 1.00 1.01 H new ATOM 0 HB2 SER A 22 5.438 -8.518 6.868 1.00 1.14 H new ATOM 0 HB3 SER A 22 6.758 -7.786 7.758 1.00 1.14 H new ATOM 0 HG SER A 22 5.539 -5.887 7.985 1.00 1.23 H new ATOM 320 N ILE A 23 6.151 -8.711 4.037 1.00 1.00 N ATOM 321 CA ILE A 23 5.467 -9.405 2.971 1.00 0.88 C ATOM 322 C ILE A 23 4.346 -10.205 3.617 1.00 0.79 C ATOM 323 O ILE A 23 4.447 -10.574 4.786 1.00 1.06 O ATOM 324 CB ILE A 23 6.465 -10.309 2.239 1.00 1.17 C ATOM 325 CG1 ILE A 23 7.631 -9.484 1.660 1.00 1.61 C ATOM 326 CG2 ILE A 23 5.795 -11.045 1.077 1.00 1.01 C ATOM 327 CD1 ILE A 23 8.768 -9.104 2.614 1.00 1.19 C ATOM 0 H ILE A 23 6.970 -9.211 4.383 1.00 1.00 H new ATOM 0 HA ILE A 23 5.049 -8.721 2.233 1.00 0.88 H new ATOM 0 HB ILE A 23 6.835 -11.026 2.971 1.00 1.17 H new ATOM 0 HG12 ILE A 23 8.061 -10.045 0.830 1.00 1.61 H new ATOM 0 HG13 ILE A 23 7.219 -8.565 1.244 1.00 1.61 H new ATOM 0 HG21 ILE A 23 6.528 -11.678 0.577 1.00 1.01 H new ATOM 0 HG22 ILE A 23 4.981 -11.662 1.458 1.00 1.01 H new ATOM 0 HG23 ILE A 23 5.398 -10.319 0.367 1.00 1.01 H new ATOM 0 HD11 ILE A 23 9.518 -8.526 2.074 1.00 1.19 H new ATOM 0 HD12 ILE A 23 8.370 -8.506 3.434 1.00 1.19 H new ATOM 0 HD13 ILE A 23 9.225 -10.009 3.014 1.00 1.19 H new ATOM 339 N LEU A 24 3.269 -10.424 2.869 1.00 0.64 N ATOM 340 CA LEU A 24 2.061 -11.022 3.385 1.00 0.76 C ATOM 341 C LEU A 24 2.005 -12.465 2.904 1.00 0.90 C ATOM 342 O LEU A 24 2.159 -13.377 3.704 1.00 1.09 O ATOM 343 CB LEU A 24 0.845 -10.182 2.973 1.00 0.84 C ATOM 344 CG LEU A 24 1.036 -8.661 3.082 1.00 0.74 C ATOM 345 CD1 LEU A 24 1.531 -8.221 4.460 1.00 3.24 C ATOM 346 CD2 LEU A 24 1.828 -8.016 1.961 1.00 2.53 C ATOM 0 H LEU A 24 3.219 -10.186 1.878 1.00 0.64 H new ATOM 0 HA LEU A 24 2.052 -11.038 4.475 1.00 0.76 H new ATOM 0 HB2 LEU A 24 0.586 -10.427 1.943 1.00 0.84 H new ATOM 0 HB3 LEU A 24 -0.004 -10.471 3.593 1.00 0.84 H new ATOM 0 HG LEU A 24 0.025 -8.274 2.954 1.00 0.74 H new ATOM 0 HD11 LEU A 24 1.647 -7.137 4.476 1.00 3.24 H new ATOM 0 HD12 LEU A 24 0.808 -8.520 5.219 1.00 3.24 H new ATOM 0 HD13 LEU A 24 2.492 -8.692 4.669 1.00 3.24 H new ATOM 0 HD21 LEU A 24 1.902 -6.943 2.138 1.00 2.53 H new ATOM 0 HD22 LEU A 24 2.828 -8.448 1.927 1.00 2.53 H new ATOM 0 HD23 LEU A 24 1.324 -8.193 1.011 1.00 2.53 H new ATOM 358 N GLU A 25 1.813 -12.655 1.597 1.00 0.90 N ATOM 359 CA GLU A 25 1.775 -13.918 0.864 1.00 1.09 C ATOM 360 C GLU A 25 0.969 -15.016 1.566 1.00 1.43 C ATOM 361 O GLU A 25 1.218 -16.205 1.383 1.00 2.35 O ATOM 362 CB GLU A 25 3.194 -14.335 0.430 1.00 1.68 C ATOM 363 CG GLU A 25 4.151 -14.682 1.579 1.00 1.14 C ATOM 364 CD GLU A 25 5.532 -15.081 1.050 1.00 1.54 C ATOM 365 OE1 GLU A 25 5.865 -16.286 1.127 1.00 2.10 O ATOM 366 OE2 GLU A 25 6.252 -14.172 0.578 1.00 2.91 O ATOM 0 H GLU A 25 1.668 -11.861 0.974 1.00 0.90 H new ATOM 0 HA GLU A 25 1.207 -13.753 -0.052 1.00 1.09 H new ATOM 0 HB2 GLU A 25 3.116 -15.199 -0.231 1.00 1.68 H new ATOM 0 HB3 GLU A 25 3.631 -13.525 -0.154 1.00 1.68 H new ATOM 0 HG2 GLU A 25 4.248 -13.825 2.246 1.00 1.14 H new ATOM 0 HG3 GLU A 25 3.735 -15.499 2.168 1.00 1.14 H new ATOM 373 N GLU A 26 -0.070 -14.621 2.307 1.00 1.80 N ATOM 374 CA GLU A 26 -0.863 -15.528 3.134 1.00 2.47 C ATOM 375 C GLU A 26 -2.345 -15.479 2.767 1.00 1.71 C ATOM 376 O GLU A 26 -3.217 -15.905 3.520 1.00 2.52 O ATOM 377 CB GLU A 26 -0.614 -15.222 4.619 1.00 3.81 C ATOM 378 CG GLU A 26 0.568 -16.036 5.168 1.00 5.24 C ATOM 379 CD GLU A 26 0.803 -15.814 6.668 1.00 6.73 C ATOM 380 OE1 GLU A 26 -0.195 -15.601 7.393 1.00 7.26 O ATOM 381 OE2 GLU A 26 1.977 -15.910 7.093 1.00 7.71 O ATOM 0 H GLU A 26 -0.386 -13.652 2.348 1.00 1.80 H new ATOM 0 HA GLU A 26 -0.544 -16.552 2.941 1.00 2.47 H new ATOM 0 HB2 GLU A 26 -0.414 -14.158 4.744 1.00 3.81 H new ATOM 0 HB3 GLU A 26 -1.512 -15.448 5.194 1.00 3.81 H new ATOM 0 HG2 GLU A 26 0.388 -17.096 4.987 1.00 5.24 H new ATOM 0 HG3 GLU A 26 1.472 -15.768 4.621 1.00 5.24 H new ATOM 388 N GLY A 27 -2.635 -14.982 1.570 1.00 1.92 N ATOM 389 CA GLY A 27 -4.004 -14.761 1.127 1.00 2.37 C ATOM 390 C GLY A 27 -4.674 -13.681 1.971 1.00 1.84 C ATOM 391 O GLY A 27 -5.887 -13.705 2.169 1.00 2.15 O ATOM 0 H GLY A 27 -1.929 -14.722 0.882 1.00 1.92 H new ATOM 0 HA2 GLY A 27 -4.009 -14.466 0.078 1.00 2.37 H new ATOM 0 HA3 GLY A 27 -4.570 -15.690 1.199 1.00 2.37 H new ATOM 395 N GLU A 28 -3.871 -12.743 2.469 1.00 1.39 N ATOM 396 CA GLU A 28 -4.346 -11.605 3.240 1.00 1.34 C ATOM 397 C GLU A 28 -5.199 -10.674 2.396 1.00 1.09 C ATOM 398 O GLU A 28 -5.069 -10.617 1.173 1.00 1.17 O ATOM 399 CB GLU A 28 -3.144 -10.816 3.768 1.00 1.70 C ATOM 400 CG GLU A 28 -2.903 -11.134 5.241 1.00 2.38 C ATOM 401 CD GLU A 28 -3.843 -10.292 6.103 1.00 3.48 C ATOM 402 OE1 GLU A 28 -3.310 -9.544 6.956 1.00 4.22 O ATOM 403 OE2 GLU A 28 -5.065 -10.332 5.836 1.00 4.27 O ATOM 0 H GLU A 28 -2.859 -12.756 2.344 1.00 1.39 H new ATOM 0 HA GLU A 28 -4.954 -11.987 4.060 1.00 1.34 H new ATOM 0 HB2 GLU A 28 -2.256 -11.062 3.186 1.00 1.70 H new ATOM 0 HB3 GLU A 28 -3.320 -9.747 3.644 1.00 1.70 H new ATOM 0 HG2 GLU A 28 -3.073 -12.194 5.428 1.00 2.38 H new ATOM 0 HG3 GLU A 28 -1.866 -10.926 5.504 1.00 2.38 H new ATOM 410 N ASP A 29 -6.016 -9.867 3.070 1.00 1.14 N ATOM 411 CA ASP A 29 -6.706 -8.792 2.387 1.00 1.03 C ATOM 412 C ASP A 29 -5.739 -7.625 2.220 1.00 1.00 C ATOM 413 O ASP A 29 -5.253 -7.035 3.191 1.00 1.30 O ATOM 414 CB ASP A 29 -7.984 -8.368 3.127 1.00 1.33 C ATOM 415 CG ASP A 29 -9.228 -9.006 2.507 1.00 2.14 C ATOM 416 OD1 ASP A 29 -9.379 -8.858 1.273 1.00 2.92 O ATOM 417 OD2 ASP A 29 -10.026 -9.593 3.269 1.00 3.06 O ATOM 0 H ASP A 29 -6.210 -9.939 4.069 1.00 1.14 H new ATOM 0 HA ASP A 29 -7.030 -9.140 1.406 1.00 1.03 H new ATOM 0 HB2 ASP A 29 -7.911 -8.655 4.176 1.00 1.33 H new ATOM 0 HB3 ASP A 29 -8.078 -7.282 3.100 1.00 1.33 H new ATOM 422 N VAL A 30 -5.461 -7.268 0.966 1.00 0.92 N ATOM 423 CA VAL A 30 -4.585 -6.162 0.635 1.00 1.08 C ATOM 424 C VAL A 30 -5.360 -5.188 -0.243 1.00 0.91 C ATOM 425 O VAL A 30 -6.216 -5.600 -1.023 1.00 1.07 O ATOM 426 CB VAL A 30 -3.278 -6.662 -0.007 1.00 1.54 C ATOM 427 CG1 VAL A 30 -2.567 -7.675 0.900 1.00 1.99 C ATOM 428 CG2 VAL A 30 -3.495 -7.317 -1.375 1.00 1.69 C ATOM 0 H VAL A 30 -5.844 -7.747 0.151 1.00 0.92 H new ATOM 0 HA VAL A 30 -4.274 -5.634 1.536 1.00 1.08 H new ATOM 0 HB VAL A 30 -2.663 -5.772 -0.141 1.00 1.54 H new ATOM 0 HG11 VAL A 30 -1.647 -8.010 0.420 1.00 1.99 H new ATOM 0 HG12 VAL A 30 -2.328 -7.204 1.854 1.00 1.99 H new ATOM 0 HG13 VAL A 30 -3.220 -8.531 1.071 1.00 1.99 H new ATOM 0 HG21 VAL A 30 -2.537 -7.648 -1.776 1.00 1.69 H new ATOM 0 HG22 VAL A 30 -4.159 -8.174 -1.267 1.00 1.69 H new ATOM 0 HG23 VAL A 30 -3.943 -6.595 -2.057 1.00 1.69 H new ATOM 438 N ARG A 31 -5.073 -3.890 -0.128 1.00 0.89 N ATOM 439 CA ARG A 31 -5.756 -2.872 -0.910 1.00 0.79 C ATOM 440 C ARG A 31 -4.705 -2.244 -1.809 1.00 0.84 C ATOM 441 O ARG A 31 -3.548 -2.106 -1.401 1.00 1.38 O ATOM 442 CB ARG A 31 -6.448 -1.880 0.045 1.00 0.75 C ATOM 443 CG ARG A 31 -7.527 -1.012 -0.624 1.00 0.87 C ATOM 444 CD ARG A 31 -7.039 0.385 -1.032 1.00 2.00 C ATOM 445 NE ARG A 31 -8.096 1.122 -1.749 1.00 2.52 N ATOM 446 CZ ARG A 31 -8.080 2.421 -2.087 1.00 3.81 C ATOM 447 NH1 ARG A 31 -9.121 2.950 -2.733 1.00 4.41 N ATOM 448 NH2 ARG A 31 -7.041 3.198 -1.777 1.00 5.03 N ATOM 0 H ARG A 31 -4.365 -3.522 0.507 1.00 0.89 H new ATOM 0 HA ARG A 31 -6.551 -3.270 -1.541 1.00 0.79 H new ATOM 0 HB2 ARG A 31 -6.902 -2.438 0.864 1.00 0.75 H new ATOM 0 HB3 ARG A 31 -5.693 -1.228 0.484 1.00 0.75 H new ATOM 0 HG2 ARG A 31 -7.898 -1.529 -1.509 1.00 0.87 H new ATOM 0 HG3 ARG A 31 -8.369 -0.906 0.060 1.00 0.87 H new ATOM 0 HD2 ARG A 31 -6.738 0.943 -0.145 1.00 2.00 H new ATOM 0 HD3 ARG A 31 -6.157 0.296 -1.667 1.00 2.00 H new ATOM 0 HE ARG A 31 -8.924 0.590 -2.016 1.00 2.52 H new ATOM 0 HH11 ARG A 31 -9.925 2.368 -2.968 1.00 4.41 H new ATOM 0 HH12 ARG A 31 -9.113 3.937 -2.992 1.00 4.41 H new ATOM 0 HH21 ARG A 31 -6.243 2.807 -1.276 1.00 5.03 H new ATOM 0 HH22 ARG A 31 -7.044 4.183 -2.041 1.00 5.03 H new ATOM 462 N ARG A 32 -5.100 -1.877 -3.031 1.00 0.64 N ATOM 463 CA ARG A 32 -4.230 -1.153 -3.943 1.00 0.63 C ATOM 464 C ARG A 32 -4.778 0.239 -4.113 1.00 0.63 C ATOM 465 O ARG A 32 -5.991 0.432 -4.184 1.00 1.00 O ATOM 466 CB ARG A 32 -4.041 -1.859 -5.292 1.00 0.71 C ATOM 467 CG ARG A 32 -5.329 -2.056 -6.102 1.00 1.18 C ATOM 468 CD ARG A 32 -5.490 -0.971 -7.174 1.00 1.02 C ATOM 469 NE ARG A 32 -6.651 -1.236 -8.037 1.00 1.44 N ATOM 470 CZ ARG A 32 -6.705 -2.154 -9.013 1.00 1.94 C ATOM 471 NH1 ARG A 32 -7.822 -2.306 -9.725 1.00 2.24 N ATOM 472 NH2 ARG A 32 -5.646 -2.921 -9.277 1.00 3.36 N ATOM 0 H ARG A 32 -6.027 -2.075 -3.408 1.00 0.64 H new ATOM 0 HA ARG A 32 -3.231 -1.113 -3.509 1.00 0.63 H new ATOM 0 HB2 ARG A 32 -3.336 -1.283 -5.892 1.00 0.71 H new ATOM 0 HB3 ARG A 32 -3.587 -2.834 -5.115 1.00 0.71 H new ATOM 0 HG2 ARG A 32 -5.316 -3.038 -6.575 1.00 1.18 H new ATOM 0 HG3 ARG A 32 -6.188 -2.037 -5.432 1.00 1.18 H new ATOM 0 HD2 ARG A 32 -5.605 0.001 -6.695 1.00 1.02 H new ATOM 0 HD3 ARG A 32 -4.587 -0.922 -7.782 1.00 1.02 H new ATOM 0 HE ARG A 32 -7.487 -0.673 -7.880 1.00 1.44 H new ATOM 0 HH11 ARG A 32 -8.636 -1.724 -9.527 1.00 2.24 H new ATOM 0 HH12 ARG A 32 -7.863 -3.004 -10.467 1.00 2.24 H new ATOM 0 HH21 ARG A 32 -4.789 -2.811 -8.735 1.00 3.36 H new ATOM 0 HH22 ARG A 32 -5.693 -3.617 -10.021 1.00 3.36 H new ATOM 486 N LEU A 33 -3.872 1.199 -4.153 1.00 0.50 N ATOM 487 CA LEU A 33 -4.168 2.589 -4.341 1.00 0.53 C ATOM 488 C LEU A 33 -4.030 2.872 -5.837 1.00 0.67 C ATOM 489 O LEU A 33 -3.436 2.074 -6.567 1.00 0.79 O ATOM 490 CB LEU A 33 -3.221 3.435 -3.472 1.00 0.72 C ATOM 491 CG LEU A 33 -2.337 2.710 -2.429 1.00 0.83 C ATOM 492 CD1 LEU A 33 -1.222 3.606 -1.885 1.00 1.96 C ATOM 493 CD2 LEU A 33 -3.181 2.233 -1.245 1.00 1.42 C ATOM 0 H LEU A 33 -2.874 1.014 -4.050 1.00 0.50 H new ATOM 0 HA LEU A 33 -5.179 2.849 -4.028 1.00 0.53 H new ATOM 0 HB2 LEU A 33 -2.561 3.987 -4.141 1.00 0.72 H new ATOM 0 HB3 LEU A 33 -3.825 4.171 -2.941 1.00 0.72 H new ATOM 0 HG LEU A 33 -1.887 1.864 -2.948 1.00 0.83 H new ATOM 0 HD11 LEU A 33 -0.631 3.050 -1.157 1.00 1.96 H new ATOM 0 HD12 LEU A 33 -0.580 3.926 -2.705 1.00 1.96 H new ATOM 0 HD13 LEU A 33 -1.660 4.481 -1.404 1.00 1.96 H new ATOM 0 HD21 LEU A 33 -2.541 1.726 -0.523 1.00 1.42 H new ATOM 0 HD22 LEU A 33 -3.657 3.090 -0.769 1.00 1.42 H new ATOM 0 HD23 LEU A 33 -3.947 1.543 -1.599 1.00 1.42 H new ATOM 505 N PRO A 34 -4.548 4.009 -6.314 1.00 0.75 N ATOM 506 CA PRO A 34 -4.569 4.340 -7.730 1.00 0.90 C ATOM 507 C PRO A 34 -3.166 4.521 -8.305 1.00 0.98 C ATOM 508 O PRO A 34 -2.992 4.457 -9.517 1.00 1.17 O ATOM 509 CB PRO A 34 -5.388 5.629 -7.834 1.00 1.03 C ATOM 510 CG PRO A 34 -5.202 6.272 -6.462 1.00 1.00 C ATOM 511 CD PRO A 34 -5.158 5.065 -5.530 1.00 0.79 C ATOM 0 HA PRO A 34 -5.008 3.531 -8.314 1.00 0.90 H new ATOM 0 HB2 PRO A 34 -5.024 6.274 -8.634 1.00 1.03 H new ATOM 0 HB3 PRO A 34 -6.438 5.423 -8.043 1.00 1.03 H new ATOM 0 HG2 PRO A 34 -4.284 6.857 -6.410 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -6.023 6.945 -6.215 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -4.575 5.279 -4.634 1.00 0.79 H new ATOM 0 HD3 PRO A 34 -6.158 4.784 -5.200 1.00 0.79 H new ATOM 519 N CYS A 35 -2.145 4.710 -7.463 1.00 0.90 N ATOM 520 CA CYS A 35 -0.804 5.029 -7.916 1.00 0.96 C ATOM 521 C CYS A 35 -0.001 3.731 -8.119 1.00 0.97 C ATOM 522 O CYS A 35 1.211 3.713 -7.838 1.00 1.07 O ATOM 523 CB CYS A 35 -0.190 5.971 -6.864 1.00 0.99 C ATOM 524 SG CYS A 35 0.526 5.089 -5.442 1.00 1.43 S ATOM 0 H CYS A 35 -2.234 4.644 -6.449 1.00 0.90 H new ATOM 0 HA CYS A 35 -0.800 5.534 -8.882 1.00 0.96 H new ATOM 0 HB2 CYS A 35 0.585 6.576 -7.335 1.00 0.99 H new ATOM 0 HB3 CYS A 35 -0.958 6.658 -6.508 1.00 0.99 H new ATOM 529 N MET A 36 -0.698 2.668 -8.548 1.00 0.96 N ATOM 530 CA MET A 36 -0.255 1.295 -8.712 1.00 0.98 C ATOM 531 C MET A 36 0.715 0.884 -7.622 1.00 0.96 C ATOM 532 O MET A 36 1.913 0.726 -7.834 1.00 1.12 O ATOM 533 CB MET A 36 0.281 1.020 -10.120 1.00 1.20 C ATOM 534 CG MET A 36 -0.868 1.014 -11.132 1.00 1.36 C ATOM 535 SD MET A 36 -0.409 0.457 -12.795 1.00 2.17 S ATOM 536 CE MET A 36 -0.168 -1.317 -12.501 1.00 3.75 C ATOM 0 H MET A 36 -1.678 2.769 -8.811 1.00 0.96 H new ATOM 0 HA MET A 36 -1.134 0.660 -8.600 1.00 0.98 H new ATOM 0 HB2 MET A 36 1.012 1.781 -10.394 1.00 1.20 H new ATOM 0 HB3 MET A 36 0.797 0.060 -10.139 1.00 1.20 H new ATOM 0 HG2 MET A 36 -1.663 0.371 -10.755 1.00 1.36 H new ATOM 0 HG3 MET A 36 -1.279 2.021 -11.201 1.00 1.36 H new ATOM 0 HE1 MET A 36 -0.056 -1.832 -13.455 1.00 3.75 H new ATOM 0 HE2 MET A 36 0.729 -1.468 -11.900 1.00 3.75 H new ATOM 0 HE3 MET A 36 -1.032 -1.719 -11.971 1.00 3.75 H new ATOM 546 N HIS A 37 0.154 0.679 -6.438 1.00 0.83 N ATOM 547 CA HIS A 37 0.866 0.149 -5.302 1.00 0.91 C ATOM 548 C HIS A 37 -0.157 -0.641 -4.498 1.00 0.92 C ATOM 549 O HIS A 37 -1.287 -0.178 -4.361 1.00 1.43 O ATOM 550 CB HIS A 37 1.475 1.323 -4.522 1.00 0.94 C ATOM 551 CG HIS A 37 2.878 1.632 -4.990 1.00 1.16 C ATOM 552 ND1 HIS A 37 3.317 2.714 -5.768 1.00 1.18 N ATOM 553 CD2 HIS A 37 3.929 0.781 -4.787 1.00 1.49 C ATOM 554 CE1 HIS A 37 4.612 2.470 -6.017 1.00 1.51 C ATOM 555 NE2 HIS A 37 5.013 1.323 -5.437 1.00 1.72 N ATOM 0 H HIS A 37 -0.827 0.883 -6.245 1.00 0.83 H new ATOM 0 HA HIS A 37 1.692 -0.510 -5.569 1.00 0.91 H new ATOM 0 HB2 HIS A 37 0.847 2.206 -4.643 1.00 0.94 H new ATOM 0 HB3 HIS A 37 1.489 1.086 -3.458 1.00 0.94 H new ATOM 0 HD2 HIS A 37 3.911 -0.140 -4.224 1.00 1.49 H new ATOM 0 HE1 HIS A 37 5.251 3.111 -6.607 1.00 1.51 H new ATOM 0 HE2 HIS A 37 5.952 0.927 -5.473 1.00 1.72 H new ATOM 563 N LEU A 38 0.201 -1.827 -4.004 1.00 0.86 N ATOM 564 CA LEU A 38 -0.676 -2.656 -3.183 1.00 0.87 C ATOM 565 C LEU A 38 0.101 -3.083 -1.953 1.00 1.00 C ATOM 566 O LEU A 38 1.257 -3.473 -2.080 1.00 1.41 O ATOM 567 CB LEU A 38 -1.312 -3.827 -3.947 1.00 1.50 C ATOM 568 CG LEU A 38 -0.534 -5.146 -3.900 1.00 1.18 C ATOM 569 CD1 LEU A 38 -1.404 -6.247 -4.496 1.00 2.08 C ATOM 570 CD2 LEU A 38 0.753 -4.997 -4.697 1.00 1.83 C ATOM 0 H LEU A 38 1.119 -2.242 -4.166 1.00 0.86 H new ATOM 0 HA LEU A 38 -1.540 -2.068 -2.876 1.00 0.87 H new ATOM 0 HB2 LEU A 38 -2.311 -4.000 -3.546 1.00 1.50 H new ATOM 0 HB3 LEU A 38 -1.434 -3.534 -4.990 1.00 1.50 H new ATOM 0 HG LEU A 38 -0.281 -5.403 -2.871 1.00 1.18 H new ATOM 0 HD11 LEU A 38 -0.863 -7.193 -4.469 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -2.323 -6.338 -3.917 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -1.649 -5.998 -5.529 1.00 2.08 H new ATOM 0 HD21 LEU A 38 1.310 -5.933 -4.667 1.00 1.83 H new ATOM 0 HD22 LEU A 38 0.514 -4.751 -5.731 1.00 1.83 H new ATOM 0 HD23 LEU A 38 1.358 -4.200 -4.265 1.00 1.83 H new ATOM 582 N PHE A 39 -0.506 -2.967 -0.775 1.00 0.92 N ATOM 583 CA PHE A 39 0.237 -3.099 0.468 1.00 1.09 C ATOM 584 C PHE A 39 -0.531 -3.995 1.440 1.00 1.35 C ATOM 585 O PHE A 39 -0.163 -5.142 1.656 1.00 2.83 O ATOM 586 CB PHE A 39 0.532 -1.698 1.044 1.00 1.22 C ATOM 587 CG PHE A 39 1.399 -0.763 0.204 1.00 1.09 C ATOM 588 CD1 PHE A 39 1.149 0.623 0.214 1.00 1.48 C ATOM 589 CD2 PHE A 39 2.471 -1.249 -0.569 1.00 2.02 C ATOM 590 CE1 PHE A 39 1.949 1.502 -0.538 1.00 1.58 C ATOM 591 CE2 PHE A 39 3.250 -0.378 -1.351 1.00 2.10 C ATOM 592 CZ PHE A 39 2.998 1.004 -1.327 1.00 1.35 C ATOM 0 H PHE A 39 -1.503 -2.783 -0.658 1.00 0.92 H new ATOM 0 HA PHE A 39 1.198 -3.581 0.288 1.00 1.09 H new ATOM 0 HB2 PHE A 39 -0.421 -1.201 1.227 1.00 1.22 H new ATOM 0 HB3 PHE A 39 1.015 -1.827 2.013 1.00 1.22 H new ATOM 0 HD1 PHE A 39 0.335 1.015 0.805 1.00 1.48 H new ATOM 0 HD2 PHE A 39 2.698 -2.305 -0.561 1.00 2.02 H new ATOM 0 HE1 PHE A 39 1.756 2.564 -0.508 1.00 1.58 H new ATOM 0 HE2 PHE A 39 4.042 -0.771 -1.970 1.00 2.10 H new ATOM 0 HZ PHE A 39 3.607 1.678 -1.911 1.00 1.35 H new ATOM 602 N HIS A 40 -1.602 -3.481 2.037 1.00 0.69 N ATOM 603 CA HIS A 40 -2.441 -4.205 2.984 1.00 0.64 C ATOM 604 C HIS A 40 -3.809 -3.527 2.965 1.00 0.69 C ATOM 605 O HIS A 40 -3.937 -2.466 2.359 1.00 1.36 O ATOM 606 CB HIS A 40 -1.827 -4.121 4.390 1.00 0.94 C ATOM 607 CG HIS A 40 -1.509 -5.438 5.058 1.00 0.57 C ATOM 608 ND1 HIS A 40 -0.507 -5.592 6.015 1.00 0.65 N ATOM 609 CD2 HIS A 40 -2.236 -6.593 4.982 1.00 0.77 C ATOM 610 CE1 HIS A 40 -0.650 -6.832 6.505 1.00 1.03 C ATOM 611 NE2 HIS A 40 -1.670 -7.458 5.893 1.00 1.13 N ATOM 0 H HIS A 40 -1.918 -2.525 1.871 1.00 0.69 H new ATOM 0 HA HIS A 40 -2.525 -5.258 2.716 1.00 0.64 H new ATOM 0 HB2 HIS A 40 -0.909 -3.537 4.329 1.00 0.94 H new ATOM 0 HB3 HIS A 40 -2.514 -3.568 5.031 1.00 0.94 H new ATOM 0 HD2 HIS A 40 -3.082 -6.788 4.339 1.00 0.77 H new ATOM 0 HE1 HIS A 40 -0.035 -7.265 7.280 1.00 1.03 H new ATOM 0 HE2 HIS A 40 -1.974 -8.415 6.073 1.00 1.13 H new ATOM 619 N GLN A 41 -4.825 -4.093 3.614 1.00 0.70 N ATOM 620 CA GLN A 41 -6.028 -3.326 3.900 1.00 0.76 C ATOM 621 C GLN A 41 -5.727 -2.404 5.087 1.00 0.70 C ATOM 622 O GLN A 41 -5.534 -1.205 4.909 1.00 1.03 O ATOM 623 CB GLN A 41 -7.211 -4.284 4.108 1.00 0.99 C ATOM 624 CG GLN A 41 -8.545 -3.557 4.333 1.00 1.47 C ATOM 625 CD GLN A 41 -8.738 -3.128 5.786 1.00 2.46 C ATOM 626 OE1 GLN A 41 -8.771 -3.958 6.683 1.00 3.74 O ATOM 627 NE2 GLN A 41 -8.846 -1.836 6.056 1.00 3.36 N ATOM 0 H GLN A 41 -4.838 -5.058 3.944 1.00 0.70 H new ATOM 0 HA GLN A 41 -6.323 -2.686 3.069 1.00 0.76 H new ATOM 0 HB2 GLN A 41 -7.301 -4.934 3.238 1.00 0.99 H new ATOM 0 HB3 GLN A 41 -7.005 -4.925 4.965 1.00 0.99 H new ATOM 0 HG2 GLN A 41 -8.590 -2.679 3.689 1.00 1.47 H new ATOM 0 HG3 GLN A 41 -9.366 -4.211 4.038 1.00 1.47 H new ATOM 0 HE21 GLN A 41 -8.817 -1.153 5.299 1.00 3.36 H new ATOM 0 HE22 GLN A 41 -8.958 -1.524 7.021 1.00 3.36 H new ATOM 636 N VAL A 42 -5.631 -2.971 6.293 1.00 0.91 N ATOM 637 CA VAL A 42 -5.521 -2.218 7.540 1.00 1.00 C ATOM 638 C VAL A 42 -4.423 -1.155 7.473 1.00 1.04 C ATOM 639 O VAL A 42 -4.681 0.004 7.781 1.00 1.23 O ATOM 640 CB VAL A 42 -5.303 -3.190 8.718 1.00 1.09 C ATOM 641 CG1 VAL A 42 -5.135 -2.444 10.047 1.00 1.15 C ATOM 642 CG2 VAL A 42 -6.487 -4.154 8.867 1.00 1.21 C ATOM 0 H VAL A 42 -5.628 -3.982 6.430 1.00 0.91 H new ATOM 0 HA VAL A 42 -6.456 -1.681 7.700 1.00 1.00 H new ATOM 0 HB VAL A 42 -4.392 -3.744 8.491 1.00 1.09 H new ATOM 0 HG11 VAL A 42 -4.984 -3.164 10.852 1.00 1.15 H new ATOM 0 HG12 VAL A 42 -4.272 -1.781 9.986 1.00 1.15 H new ATOM 0 HG13 VAL A 42 -6.030 -1.856 10.250 1.00 1.15 H new ATOM 0 HG21 VAL A 42 -6.305 -4.827 9.705 1.00 1.21 H new ATOM 0 HG22 VAL A 42 -7.399 -3.585 9.050 1.00 1.21 H new ATOM 0 HG23 VAL A 42 -6.600 -4.736 7.952 1.00 1.21 H new ATOM 652 N CYS A 43 -3.196 -1.532 7.101 1.00 1.02 N ATOM 653 CA CYS A 43 -2.060 -0.632 7.210 1.00 1.14 C ATOM 654 C CYS A 43 -2.255 0.574 6.295 1.00 0.88 C ATOM 655 O CYS A 43 -1.928 1.693 6.682 1.00 0.90 O ATOM 656 CB CYS A 43 -0.785 -1.363 6.795 1.00 1.36 C ATOM 657 SG CYS A 43 -0.585 -2.877 7.758 1.00 1.80 S ATOM 0 H CYS A 43 -2.971 -2.453 6.724 1.00 1.02 H new ATOM 0 HA CYS A 43 -1.979 -0.296 8.244 1.00 1.14 H new ATOM 0 HB2 CYS A 43 -0.825 -1.603 5.733 1.00 1.36 H new ATOM 0 HB3 CYS A 43 0.078 -0.714 6.943 1.00 1.36 H new ATOM 662 N VAL A 44 -2.729 0.353 5.065 1.00 0.74 N ATOM 663 CA VAL A 44 -3.062 1.442 4.157 1.00 0.71 C ATOM 664 C VAL A 44 -3.988 2.405 4.884 1.00 0.83 C ATOM 665 O VAL A 44 -3.694 3.595 4.991 1.00 0.90 O ATOM 666 CB VAL A 44 -3.685 0.898 2.860 1.00 0.76 C ATOM 667 CG1 VAL A 44 -4.324 1.994 2.001 1.00 1.68 C ATOM 668 CG2 VAL A 44 -2.584 0.220 2.043 1.00 2.01 C ATOM 0 H VAL A 44 -2.889 -0.577 4.679 1.00 0.74 H new ATOM 0 HA VAL A 44 -2.161 1.979 3.861 1.00 0.71 H new ATOM 0 HB VAL A 44 -4.474 0.200 3.141 1.00 0.76 H new ATOM 0 HG11 VAL A 44 -4.747 1.550 1.100 1.00 1.68 H new ATOM 0 HG12 VAL A 44 -5.114 2.486 2.568 1.00 1.68 H new ATOM 0 HG13 VAL A 44 -3.566 2.727 1.723 1.00 1.68 H new ATOM 0 HG21 VAL A 44 -3.007 -0.173 1.118 1.00 2.01 H new ATOM 0 HG22 VAL A 44 -1.806 0.946 1.807 1.00 2.01 H new ATOM 0 HG23 VAL A 44 -2.153 -0.598 2.621 1.00 2.01 H new ATOM 678 N ASP A 45 -5.059 1.869 5.461 1.00 0.94 N ATOM 679 CA ASP A 45 -6.094 2.642 6.133 1.00 1.20 C ATOM 680 C ASP A 45 -5.666 3.042 7.557 1.00 1.37 C ATOM 681 O ASP A 45 -6.504 3.238 8.434 1.00 1.64 O ATOM 682 CB ASP A 45 -7.385 1.807 6.122 1.00 1.31 C ATOM 683 CG ASP A 45 -7.921 1.592 4.702 1.00 2.62 C ATOM 684 OD1 ASP A 45 -7.715 2.489 3.854 1.00 3.28 O ATOM 685 OD2 ASP A 45 -8.524 0.518 4.471 1.00 4.07 O ATOM 0 H ASP A 45 -5.234 0.864 5.474 1.00 0.94 H new ATOM 0 HA ASP A 45 -6.266 3.581 5.607 1.00 1.20 H new ATOM 0 HB2 ASP A 45 -7.195 0.840 6.587 1.00 1.31 H new ATOM 0 HB3 ASP A 45 -8.144 2.306 6.724 1.00 1.31 H new ATOM 690 N GLN A 46 -4.362 3.219 7.790 1.00 1.33 N ATOM 691 CA GLN A 46 -3.793 3.703 9.039 1.00 1.57 C ATOM 692 C GLN A 46 -2.696 4.728 8.724 1.00 1.54 C ATOM 693 O GLN A 46 -2.683 5.835 9.258 1.00 1.68 O ATOM 694 CB GLN A 46 -3.246 2.512 9.843 1.00 1.67 C ATOM 695 CG GLN A 46 -3.071 2.873 11.321 1.00 1.97 C ATOM 696 CD GLN A 46 -2.259 1.811 12.056 1.00 2.00 C ATOM 697 OE1 GLN A 46 -1.043 1.751 11.926 1.00 2.22 O ATOM 698 NE2 GLN A 46 -2.901 0.952 12.837 1.00 2.88 N ATOM 0 H GLN A 46 -3.653 3.020 7.084 1.00 1.33 H new ATOM 0 HA GLN A 46 -4.554 4.195 9.644 1.00 1.57 H new ATOM 0 HB2 GLN A 46 -3.926 1.665 9.751 1.00 1.67 H new ATOM 0 HB3 GLN A 46 -2.289 2.198 9.427 1.00 1.67 H new ATOM 0 HG2 GLN A 46 -2.573 3.839 11.406 1.00 1.97 H new ATOM 0 HG3 GLN A 46 -4.049 2.977 11.791 1.00 1.97 H new ATOM 0 HE21 GLN A 46 -3.914 1.013 12.937 1.00 2.88 H new ATOM 0 HE22 GLN A 46 -2.381 0.231 13.338 1.00 2.88 H new ATOM 707 N ARG A 47 -1.758 4.377 7.843 1.00 1.39 N ATOM 708 CA ARG A 47 -0.597 5.203 7.542 1.00 1.32 C ATOM 709 C ARG A 47 -0.850 6.167 6.381 1.00 1.00 C ATOM 710 O ARG A 47 -0.070 7.101 6.193 1.00 1.00 O ATOM 711 CB ARG A 47 0.607 4.283 7.331 1.00 1.52 C ATOM 712 CG ARG A 47 1.943 5.035 7.330 1.00 1.78 C ATOM 713 CD ARG A 47 2.375 5.432 5.914 1.00 1.91 C ATOM 714 NE ARG A 47 2.951 6.780 5.901 1.00 2.83 N ATOM 715 CZ ARG A 47 4.211 7.098 6.228 1.00 3.34 C ATOM 716 NH1 ARG A 47 4.612 8.368 6.175 1.00 4.29 N ATOM 717 NH2 ARG A 47 5.065 6.148 6.612 1.00 3.57 N ATOM 0 H ARG A 47 -1.787 3.504 7.316 1.00 1.39 H new ATOM 0 HA ARG A 47 -0.383 5.861 8.384 1.00 1.32 H new ATOM 0 HB2 ARG A 47 0.622 3.528 8.117 1.00 1.52 H new ATOM 0 HB3 ARG A 47 0.493 3.756 6.384 1.00 1.52 H new ATOM 0 HG2 ARG A 47 1.857 5.929 7.947 1.00 1.78 H new ATOM 0 HG3 ARG A 47 2.712 4.409 7.782 1.00 1.78 H new ATOM 0 HD2 ARG A 47 3.106 4.716 5.539 1.00 1.91 H new ATOM 0 HD3 ARG A 47 1.517 5.392 5.243 1.00 1.91 H new ATOM 0 HE ARG A 47 2.338 7.544 5.618 1.00 2.83 H new ATOM 0 HH11 ARG A 47 3.960 9.097 5.886 1.00 4.29 H new ATOM 0 HH12 ARG A 47 5.571 8.611 6.424 1.00 4.29 H new ATOM 0 HH21 ARG A 47 4.760 5.176 6.657 1.00 3.57 H new ATOM 0 HH22 ARG A 47 6.023 6.394 6.860 1.00 3.57 H new ATOM 731 N LEU A 48 -1.937 5.987 5.620 1.00 1.01 N ATOM 732 CA LEU A 48 -2.402 6.980 4.654 1.00 0.94 C ATOM 733 C LEU A 48 -3.620 7.710 5.229 1.00 1.08 C ATOM 734 O LEU A 48 -4.518 8.112 4.495 1.00 1.67 O ATOM 735 CB LEU A 48 -2.719 6.337 3.289 1.00 0.83 C ATOM 736 CG LEU A 48 -1.511 5.902 2.438 1.00 0.75 C ATOM 737 CD1 LEU A 48 -0.467 7.012 2.280 1.00 0.88 C ATOM 738 CD2 LEU A 48 -0.828 4.643 2.969 1.00 0.82 C ATOM 0 H LEU A 48 -2.516 5.148 5.660 1.00 1.01 H new ATOM 0 HA LEU A 48 -1.606 7.703 4.478 1.00 0.94 H new ATOM 0 HB2 LEU A 48 -3.348 5.463 3.461 1.00 0.83 H new ATOM 0 HB3 LEU A 48 -3.309 7.045 2.707 1.00 0.83 H new ATOM 0 HG LEU A 48 -1.934 5.677 1.459 1.00 0.75 H new ATOM 0 HD11 LEU A 48 0.361 6.649 1.671 1.00 0.88 H new ATOM 0 HD12 LEU A 48 -0.923 7.874 1.794 1.00 0.88 H new ATOM 0 HD13 LEU A 48 -0.095 7.304 3.262 1.00 0.88 H new ATOM 0 HD21 LEU A 48 0.015 4.388 2.327 1.00 0.82 H new ATOM 0 HD22 LEU A 48 -0.470 4.823 3.983 1.00 0.82 H new ATOM 0 HD23 LEU A 48 -1.541 3.818 2.977 1.00 0.82 H new ATOM 750 N ILE A 49 -3.646 7.916 6.550 1.00 0.95 N ATOM 751 CA ILE A 49 -4.575 8.859 7.154 1.00 1.05 C ATOM 752 C ILE A 49 -3.984 10.252 6.939 1.00 0.90 C ATOM 753 O ILE A 49 -4.495 11.027 6.139 1.00 1.59 O ATOM 754 CB ILE A 49 -4.821 8.502 8.634 1.00 1.41 C ATOM 755 CG1 ILE A 49 -5.461 7.105 8.772 1.00 1.74 C ATOM 756 CG2 ILE A 49 -5.702 9.552 9.326 1.00 2.60 C ATOM 757 CD1 ILE A 49 -6.905 6.996 8.275 1.00 3.31 C ATOM 0 H ILE A 49 -3.034 7.441 7.214 1.00 0.95 H new ATOM 0 HA ILE A 49 -5.562 8.823 6.693 1.00 1.05 H new ATOM 0 HB ILE A 49 -3.848 8.490 9.126 1.00 1.41 H new ATOM 0 HG12 ILE A 49 -4.850 6.388 8.224 1.00 1.74 H new ATOM 0 HG13 ILE A 49 -5.432 6.812 9.821 1.00 1.74 H new ATOM 0 HG21 ILE A 49 -5.855 9.269 10.367 1.00 2.60 H new ATOM 0 HG22 ILE A 49 -5.211 10.524 9.282 1.00 2.60 H new ATOM 0 HG23 ILE A 49 -6.666 9.609 8.820 1.00 2.60 H new ATOM 0 HD11 ILE A 49 -7.262 5.976 8.416 1.00 3.31 H new ATOM 0 HD12 ILE A 49 -7.537 7.683 8.839 1.00 3.31 H new ATOM 0 HD13 ILE A 49 -6.946 7.252 7.216 1.00 3.31 H new ATOM 769 N THR A 50 -2.864 10.585 7.583 1.00 1.54 N ATOM 770 CA THR A 50 -2.292 11.922 7.478 1.00 1.89 C ATOM 771 C THR A 50 -1.380 12.074 6.250 1.00 1.81 C ATOM 772 O THR A 50 -0.440 12.864 6.283 1.00 2.55 O ATOM 773 CB THR A 50 -1.526 12.217 8.774 1.00 2.33 C ATOM 774 OG1 THR A 50 -0.582 11.191 8.997 1.00 3.40 O ATOM 775 CG2 THR A 50 -2.468 12.274 9.978 1.00 3.28 C ATOM 0 H THR A 50 -2.339 9.947 8.181 1.00 1.54 H new ATOM 0 HA THR A 50 -3.098 12.643 7.342 1.00 1.89 H new ATOM 0 HB THR A 50 -1.036 13.184 8.664 1.00 2.33 H new ATOM 0 HG1 THR A 50 -0.088 11.375 9.823 1.00 3.40 H new ATOM 0 HG21 THR A 50 -1.893 12.485 10.880 1.00 3.28 H new ATOM 0 HG22 THR A 50 -3.206 13.062 9.826 1.00 3.28 H new ATOM 0 HG23 THR A 50 -2.977 11.316 10.088 1.00 3.28 H new ATOM 783 N ASN A 51 -1.618 11.333 5.164 1.00 1.15 N ATOM 784 CA ASN A 51 -0.967 11.565 3.879 1.00 1.01 C ATOM 785 C ASN A 51 -1.802 10.891 2.799 1.00 0.97 C ATOM 786 O ASN A 51 -2.395 9.850 3.060 1.00 1.31 O ATOM 787 CB ASN A 51 0.450 10.976 3.832 1.00 1.07 C ATOM 788 CG ASN A 51 1.040 11.211 2.443 1.00 1.29 C ATOM 789 OD1 ASN A 51 0.922 12.308 1.915 1.00 1.31 O ATOM 790 ND2 ASN A 51 1.594 10.195 1.789 1.00 2.45 N ATOM 0 H ASN A 51 -2.273 10.551 5.156 1.00 1.15 H new ATOM 0 HA ASN A 51 -0.889 12.641 3.725 1.00 1.01 H new ATOM 0 HB2 ASN A 51 1.077 11.443 4.591 1.00 1.07 H new ATOM 0 HB3 ASN A 51 0.422 9.909 4.054 1.00 1.07 H new ATOM 0 HD21 ASN A 51 1.927 10.324 0.834 1.00 2.45 H new ATOM 0 HD22 ASN A 51 1.686 9.286 2.242 1.00 2.45 H new ATOM 797 N LYS A 52 -1.803 11.424 1.577 1.00 0.77 N ATOM 798 CA LYS A 52 -2.484 10.789 0.463 1.00 0.87 C ATOM 799 C LYS A 52 -1.773 11.145 -0.834 1.00 0.79 C ATOM 800 O LYS A 52 -2.401 11.657 -1.755 1.00 1.00 O ATOM 801 CB LYS A 52 -3.965 11.202 0.447 1.00 1.12 C ATOM 802 CG LYS A 52 -4.186 12.723 0.363 1.00 1.83 C ATOM 803 CD LYS A 52 -5.157 13.075 -0.771 1.00 3.00 C ATOM 804 CE LYS A 52 -5.458 14.576 -0.752 1.00 4.25 C ATOM 805 NZ LYS A 52 -6.150 15.009 -1.984 1.00 5.78 N ATOM 0 H LYS A 52 -1.335 12.299 1.339 1.00 0.77 H new ATOM 0 HA LYS A 52 -2.453 9.705 0.573 1.00 0.87 H new ATOM 0 HB2 LYS A 52 -4.456 10.726 -0.402 1.00 1.12 H new ATOM 0 HB3 LYS A 52 -4.448 10.824 1.348 1.00 1.12 H new ATOM 0 HG2 LYS A 52 -4.580 13.090 1.311 1.00 1.83 H new ATOM 0 HG3 LYS A 52 -3.232 13.224 0.199 1.00 1.83 H new ATOM 0 HD2 LYS A 52 -4.725 12.794 -1.732 1.00 3.00 H new ATOM 0 HD3 LYS A 52 -6.081 12.508 -0.659 1.00 3.00 H new ATOM 0 HE2 LYS A 52 -6.075 14.813 0.115 1.00 4.25 H new ATOM 0 HE3 LYS A 52 -4.527 15.133 -0.642 1.00 4.25 H new ATOM 0 HZ1 LYS A 52 -6.575 15.946 -1.832 1.00 5.78 H new ATOM 0 HZ2 LYS A 52 -5.466 15.062 -2.766 1.00 5.78 H new ATOM 0 HZ3 LYS A 52 -6.896 14.325 -2.222 1.00 5.78 H new ATOM 819 N LYS A 53 -0.479 10.840 -0.947 1.00 0.67 N ATOM 820 CA LYS A 53 0.233 10.997 -2.215 1.00 0.65 C ATOM 821 C LYS A 53 1.409 10.023 -2.295 1.00 0.74 C ATOM 822 O LYS A 53 2.108 9.850 -1.296 1.00 1.10 O ATOM 823 CB LYS A 53 0.631 12.459 -2.450 1.00 0.72 C ATOM 824 CG LYS A 53 1.639 13.027 -1.451 1.00 1.52 C ATOM 825 CD LYS A 53 1.677 14.560 -1.493 1.00 1.86 C ATOM 826 CE LYS A 53 1.930 15.118 -2.901 1.00 3.04 C ATOM 827 NZ LYS A 53 0.682 15.330 -3.672 1.00 4.09 N ATOM 0 H LYS A 53 0.094 10.485 -0.181 1.00 0.67 H new ATOM 0 HA LYS A 53 -0.438 10.738 -3.034 1.00 0.65 H new ATOM 0 HB2 LYS A 53 1.048 12.549 -3.453 1.00 0.72 H new ATOM 0 HB3 LYS A 53 -0.269 13.073 -2.423 1.00 0.72 H new ATOM 0 HG2 LYS A 53 1.380 12.697 -0.445 1.00 1.52 H new ATOM 0 HG3 LYS A 53 2.631 12.632 -1.671 1.00 1.52 H new ATOM 0 HD2 LYS A 53 0.731 14.951 -1.118 1.00 1.86 H new ATOM 0 HD3 LYS A 53 2.458 14.917 -0.822 1.00 1.86 H new ATOM 0 HE2 LYS A 53 2.466 16.064 -2.820 1.00 3.04 H new ATOM 0 HE3 LYS A 53 2.576 14.431 -3.448 1.00 3.04 H new ATOM 0 HZ1 LYS A 53 0.755 14.847 -4.590 1.00 4.09 H new ATOM 0 HZ2 LYS A 53 -0.124 14.943 -3.141 1.00 4.09 H new ATOM 0 HZ3 LYS A 53 0.538 16.348 -3.827 1.00 4.09 H new ATOM 841 N CYS A 54 1.587 9.377 -3.457 1.00 0.70 N ATOM 842 CA CYS A 54 2.756 8.564 -3.790 1.00 0.79 C ATOM 843 C CYS A 54 3.856 9.591 -4.090 1.00 0.84 C ATOM 844 O CYS A 54 3.625 10.466 -4.927 1.00 1.00 O ATOM 845 CB CYS A 54 2.500 7.759 -5.094 1.00 0.90 C ATOM 846 SG CYS A 54 2.356 5.939 -4.879 1.00 1.16 S ATOM 0 H CYS A 54 0.899 9.410 -4.210 1.00 0.70 H new ATOM 0 HA CYS A 54 3.001 7.864 -2.991 1.00 0.79 H new ATOM 0 HB2 CYS A 54 1.583 8.127 -5.555 1.00 0.90 H new ATOM 0 HB3 CYS A 54 3.312 7.963 -5.792 1.00 0.90 H new ATOM 851 N PRO A 55 5.049 9.499 -3.484 1.00 1.28 N ATOM 852 CA PRO A 55 6.111 10.461 -3.725 1.00 1.70 C ATOM 853 C PRO A 55 6.609 10.368 -5.159 1.00 1.83 C ATOM 854 O PRO A 55 6.732 11.386 -5.834 1.00 2.95 O ATOM 855 CB PRO A 55 7.192 10.150 -2.685 1.00 2.32 C ATOM 856 CG PRO A 55 6.974 8.673 -2.357 1.00 2.33 C ATOM 857 CD PRO A 55 5.465 8.488 -2.528 1.00 1.74 C ATOM 0 HA PRO A 55 5.775 11.492 -3.616 1.00 1.70 H new ATOM 0 HB2 PRO A 55 8.191 10.328 -3.082 1.00 2.32 H new ATOM 0 HB3 PRO A 55 7.086 10.776 -1.799 1.00 2.32 H new ATOM 0 HG2 PRO A 55 7.537 8.025 -3.029 1.00 2.33 H new ATOM 0 HG3 PRO A 55 7.295 8.435 -1.343 1.00 2.33 H new ATOM 0 HD2 PRO A 55 5.232 7.487 -2.891 1.00 1.74 H new ATOM 0 HD3 PRO A 55 4.946 8.611 -1.578 1.00 1.74 H new ATOM 865 N ILE A 56 6.905 9.156 -5.629 1.00 1.43 N ATOM 866 CA ILE A 56 7.494 8.991 -6.947 1.00 1.60 C ATOM 867 C ILE A 56 6.396 8.993 -8.006 1.00 1.49 C ATOM 868 O ILE A 56 6.533 9.678 -9.016 1.00 2.28 O ATOM 869 CB ILE A 56 8.374 7.727 -6.992 1.00 1.92 C ATOM 870 CG1 ILE A 56 9.570 7.934 -6.042 1.00 2.73 C ATOM 871 CG2 ILE A 56 8.871 7.450 -8.420 1.00 2.89 C ATOM 872 CD1 ILE A 56 10.431 6.680 -5.868 1.00 3.39 C ATOM 0 H ILE A 56 6.747 8.287 -5.119 1.00 1.43 H new ATOM 0 HA ILE A 56 8.154 9.831 -7.166 1.00 1.60 H new ATOM 0 HB ILE A 56 7.786 6.865 -6.677 1.00 1.92 H new ATOM 0 HG12 ILE A 56 10.192 8.743 -6.424 1.00 2.73 H new ATOM 0 HG13 ILE A 56 9.200 8.250 -5.067 1.00 2.73 H new ATOM 0 HG21 ILE A 56 9.490 6.552 -8.422 1.00 2.89 H new ATOM 0 HG22 ILE A 56 8.016 7.304 -9.081 1.00 2.89 H new ATOM 0 HG23 ILE A 56 9.460 8.297 -8.771 1.00 2.89 H new ATOM 0 HD11 ILE A 56 11.255 6.896 -5.187 1.00 3.39 H new ATOM 0 HD12 ILE A 56 9.822 5.875 -5.457 1.00 3.39 H new ATOM 0 HD13 ILE A 56 10.830 6.376 -6.836 1.00 3.39 H new ATOM 884 N CYS A 57 5.305 8.245 -7.790 1.00 1.20 N ATOM 885 CA CYS A 57 4.222 8.186 -8.768 1.00 1.22 C ATOM 886 C CYS A 57 3.618 9.589 -8.945 1.00 1.33 C ATOM 887 O CYS A 57 3.043 9.887 -9.986 1.00 2.19 O ATOM 888 CB CYS A 57 3.121 7.202 -8.322 1.00 1.14 C ATOM 889 SG CYS A 57 3.746 5.787 -7.347 1.00 1.31 S ATOM 0 H CYS A 57 5.154 7.680 -6.954 1.00 1.20 H new ATOM 0 HA CYS A 57 4.631 7.833 -9.714 1.00 1.22 H new ATOM 0 HB2 CYS A 57 2.383 7.742 -7.729 1.00 1.14 H new ATOM 0 HB3 CYS A 57 2.606 6.824 -9.205 1.00 1.14 H new ATOM 894 N ARG A 58 3.734 10.444 -7.918 1.00 1.20 N ATOM 895 CA ARG A 58 3.306 11.838 -7.929 1.00 1.27 C ATOM 896 C ARG A 58 1.822 11.949 -8.269 1.00 1.23 C ATOM 897 O ARG A 58 1.395 12.854 -8.981 1.00 1.49 O ATOM 898 CB ARG A 58 4.221 12.639 -8.868 1.00 1.56 C ATOM 899 CG ARG A 58 4.296 14.113 -8.461 1.00 1.78 C ATOM 900 CD ARG A 58 5.209 14.857 -9.438 1.00 2.45 C ATOM 901 NE ARG A 58 5.546 16.203 -8.951 1.00 2.74 N ATOM 902 CZ ARG A 58 6.399 17.038 -9.557 1.00 3.57 C ATOM 903 NH1 ARG A 58 6.703 18.210 -8.997 1.00 3.96 N ATOM 904 NH2 ARG A 58 6.949 16.697 -10.723 1.00 4.29 N ATOM 0 H ARG A 58 4.145 10.166 -7.027 1.00 1.20 H new ATOM 0 HA ARG A 58 3.406 12.273 -6.935 1.00 1.27 H new ATOM 0 HB2 ARG A 58 5.222 12.207 -8.858 1.00 1.56 H new ATOM 0 HB3 ARG A 58 3.851 12.562 -9.890 1.00 1.56 H new ATOM 0 HG2 ARG A 58 3.300 14.556 -8.466 1.00 1.78 H new ATOM 0 HG3 ARG A 58 4.680 14.203 -7.445 1.00 1.78 H new ATOM 0 HD2 ARG A 58 6.124 14.285 -9.588 1.00 2.45 H new ATOM 0 HD3 ARG A 58 4.718 14.933 -10.408 1.00 2.45 H new ATOM 0 HE ARG A 58 5.099 16.523 -8.092 1.00 2.74 H new ATOM 0 HH11 ARG A 58 6.285 18.472 -8.104 1.00 3.96 H new ATOM 0 HH12 ARG A 58 7.353 18.844 -9.462 1.00 3.96 H new ATOM 0 HH21 ARG A 58 6.720 15.801 -11.152 1.00 4.29 H new ATOM 0 HH22 ARG A 58 7.599 17.333 -11.186 1.00 4.29 H new ATOM 918 N VAL A 59 1.033 11.051 -7.686 1.00 1.11 N ATOM 919 CA VAL A 59 -0.410 10.990 -7.816 1.00 1.09 C ATOM 920 C VAL A 59 -0.951 11.061 -6.396 1.00 1.01 C ATOM 921 O VAL A 59 -0.371 10.468 -5.483 1.00 0.97 O ATOM 922 CB VAL A 59 -0.799 9.690 -8.545 1.00 1.10 C ATOM 923 CG1 VAL A 59 -2.278 9.324 -8.384 1.00 1.03 C ATOM 924 CG2 VAL A 59 -0.508 9.826 -10.042 1.00 1.53 C ATOM 0 H VAL A 59 1.404 10.316 -7.084 1.00 1.11 H new ATOM 0 HA VAL A 59 -0.827 11.804 -8.409 1.00 1.09 H new ATOM 0 HB VAL A 59 -0.203 8.899 -8.090 1.00 1.10 H new ATOM 0 HG11 VAL A 59 -2.484 8.399 -8.922 1.00 1.03 H new ATOM 0 HG12 VAL A 59 -2.506 9.188 -7.327 1.00 1.03 H new ATOM 0 HG13 VAL A 59 -2.897 10.125 -8.789 1.00 1.03 H new ATOM 0 HG21 VAL A 59 -0.785 8.903 -10.552 1.00 1.53 H new ATOM 0 HG22 VAL A 59 -1.086 10.655 -10.451 1.00 1.53 H new ATOM 0 HG23 VAL A 59 0.555 10.017 -10.190 1.00 1.53 H new ATOM 934 N ASP A 60 -2.039 11.803 -6.196 1.00 1.04 N ATOM 935 CA ASP A 60 -2.721 11.801 -4.915 1.00 1.02 C ATOM 936 C ASP A 60 -3.488 10.484 -4.810 1.00 0.94 C ATOM 937 O ASP A 60 -4.236 10.112 -5.707 1.00 0.92 O ATOM 938 CB ASP A 60 -3.637 13.021 -4.768 1.00 1.15 C ATOM 939 CG ASP A 60 -2.960 14.154 -3.992 1.00 1.93 C ATOM 940 OD1 ASP A 60 -3.685 14.840 -3.236 1.00 2.56 O ATOM 941 OD2 ASP A 60 -1.729 14.337 -4.141 1.00 3.04 O ATOM 0 H ASP A 60 -2.460 12.407 -6.902 1.00 1.04 H new ATOM 0 HA ASP A 60 -2.004 11.875 -4.097 1.00 1.02 H new ATOM 0 HB2 ASP A 60 -3.925 13.380 -5.756 1.00 1.15 H new ATOM 0 HB3 ASP A 60 -4.553 12.727 -4.256 1.00 1.15 H new ATOM 946 N ILE A 61 -3.239 9.749 -3.730 1.00 0.97 N ATOM 947 CA ILE A 61 -3.658 8.378 -3.509 1.00 1.02 C ATOM 948 C ILE A 61 -5.162 8.284 -3.320 1.00 1.14 C ATOM 949 O ILE A 61 -5.776 7.327 -3.776 1.00 1.35 O ATOM 950 CB ILE A 61 -2.933 7.877 -2.250 1.00 0.85 C ATOM 951 CG1 ILE A 61 -1.412 7.877 -2.406 1.00 0.89 C ATOM 952 CG2 ILE A 61 -3.299 6.462 -1.854 1.00 0.81 C ATOM 953 CD1 ILE A 61 -0.960 7.420 -3.782 1.00 0.99 C ATOM 0 H ILE A 61 -2.708 10.121 -2.943 1.00 0.97 H new ATOM 0 HA ILE A 61 -3.406 7.767 -4.376 1.00 1.02 H new ATOM 0 HB ILE A 61 -3.259 8.582 -1.485 1.00 0.85 H new ATOM 0 HG12 ILE A 61 -1.032 8.882 -2.219 1.00 0.89 H new ATOM 0 HG13 ILE A 61 -0.974 7.225 -1.650 1.00 0.89 H new ATOM 0 HG21 ILE A 61 -2.747 6.181 -0.957 1.00 0.81 H new ATOM 0 HG22 ILE A 61 -4.369 6.405 -1.654 1.00 0.81 H new ATOM 0 HG23 ILE A 61 -3.045 5.780 -2.665 1.00 0.81 H new ATOM 0 HD11 ILE A 61 0.129 7.441 -3.833 1.00 0.99 H new ATOM 0 HD12 ILE A 61 -1.312 6.404 -3.962 1.00 0.99 H new ATOM 0 HD13 ILE A 61 -1.372 8.086 -4.540 1.00 0.99 H new ATOM 965 N GLU A 62 -5.712 9.251 -2.590 1.00 1.12 N ATOM 966 CA GLU A 62 -7.073 9.274 -2.091 1.00 1.28 C ATOM 967 C GLU A 62 -7.428 8.069 -1.201 1.00 3.13 C ATOM 968 O GLU A 62 -7.376 6.900 -1.585 1.00 4.67 O ATOM 969 CB GLU A 62 -8.038 9.492 -3.253 1.00 2.96 C ATOM 970 CG GLU A 62 -9.468 9.644 -2.727 1.00 3.13 C ATOM 971 CD GLU A 62 -10.414 10.117 -3.827 1.00 4.88 C ATOM 972 OE1 GLU A 62 -11.062 9.241 -4.441 1.00 6.20 O ATOM 973 OE2 GLU A 62 -10.480 11.351 -4.016 1.00 5.45 O ATOM 0 H GLU A 62 -5.186 10.082 -2.319 1.00 1.12 H new ATOM 0 HA GLU A 62 -7.171 10.120 -1.411 1.00 1.28 H new ATOM 0 HB2 GLU A 62 -7.751 10.383 -3.812 1.00 2.96 H new ATOM 0 HB3 GLU A 62 -7.984 8.651 -3.944 1.00 2.96 H new ATOM 0 HG2 GLU A 62 -9.816 8.690 -2.330 1.00 3.13 H new ATOM 0 HG3 GLU A 62 -9.481 10.356 -1.902 1.00 3.13 H new ATOM 980 N ALA A 63 -7.854 8.384 0.020 1.00 3.92 N ATOM 981 CA ALA A 63 -8.428 7.433 0.947 1.00 6.08 C ATOM 982 C ALA A 63 -9.651 8.125 1.534 1.00 6.14 C ATOM 983 O ALA A 63 -9.566 8.728 2.597 1.00 7.09 O ATOM 984 CB ALA A 63 -7.397 7.030 2.006 1.00 7.86 C ATOM 0 H ALA A 63 -7.805 9.332 0.394 1.00 3.92 H new ATOM 0 HA ALA A 63 -8.721 6.499 0.467 1.00 6.08 H new ATOM 0 HB1 ALA A 63 -7.844 6.314 2.696 1.00 7.86 H new ATOM 0 HB2 ALA A 63 -6.535 6.575 1.519 1.00 7.86 H new ATOM 0 HB3 ALA A 63 -7.077 7.914 2.558 1.00 7.86 H new ATOM 990 N GLN A 64 -10.738 8.106 0.753 1.00 5.59 N ATOM 991 CA GLN A 64 -12.070 8.636 1.030 1.00 5.62 C ATOM 992 C GLN A 64 -12.112 9.643 2.186 1.00 5.81 C ATOM 993 O GLN A 64 -12.518 9.289 3.290 1.00 6.78 O ATOM 994 CB GLN A 64 -13.014 7.456 1.297 1.00 6.91 C ATOM 995 CG GLN A 64 -14.485 7.887 1.311 1.00 7.21 C ATOM 996 CD GLN A 64 -15.352 6.845 2.006 1.00 8.46 C ATOM 997 OE1 GLN A 64 -15.767 5.863 1.405 1.00 8.90 O ATOM 998 NE2 GLN A 64 -15.635 7.041 3.287 1.00 9.35 N ATOM 0 H GLN A 64 -10.699 7.679 -0.173 1.00 5.59 H new ATOM 0 HA GLN A 64 -12.390 9.200 0.154 1.00 5.62 H new ATOM 0 HB2 GLN A 64 -12.867 6.694 0.531 1.00 6.91 H new ATOM 0 HB3 GLN A 64 -12.761 6.999 2.254 1.00 6.91 H new ATOM 0 HG2 GLN A 64 -14.582 8.845 1.821 1.00 7.21 H new ATOM 0 HG3 GLN A 64 -14.835 8.033 0.289 1.00 7.21 H new ATOM 0 HE21 GLN A 64 -15.278 7.867 3.768 1.00 9.35 H new ATOM 0 HE22 GLN A 64 -16.209 6.366 3.791 1.00 9.35 H new ATOM 1007 N LEU A 65 -11.766 10.904 1.899 1.00 5.55 N ATOM 1008 CA LEU A 65 -11.594 11.966 2.892 1.00 6.46 C ATOM 1009 C LEU A 65 -10.576 11.543 3.956 1.00 7.23 C ATOM 1010 O LEU A 65 -10.959 11.118 5.041 1.00 7.66 O ATOM 1011 CB LEU A 65 -12.941 12.383 3.511 1.00 6.98 C ATOM 1012 CG LEU A 65 -13.780 13.222 2.540 1.00 7.36 C ATOM 1013 CD1 LEU A 65 -15.270 13.039 2.832 1.00 8.11 C ATOM 1014 CD2 LEU A 65 -13.418 14.704 2.670 1.00 8.43 C ATOM 0 H LEU A 65 -11.594 11.220 0.944 1.00 5.55 H new ATOM 0 HA LEU A 65 -11.199 12.848 2.387 1.00 6.46 H new ATOM 0 HB2 LEU A 65 -13.500 11.492 3.798 1.00 6.98 H new ATOM 0 HB3 LEU A 65 -12.761 12.954 4.422 1.00 6.98 H new ATOM 0 HG LEU A 65 -13.567 12.886 1.525 1.00 7.36 H new ATOM 0 HD11 LEU A 65 -15.854 13.640 2.135 1.00 8.11 H new ATOM 0 HD12 LEU A 65 -15.537 11.989 2.717 1.00 8.11 H new ATOM 0 HD13 LEU A 65 -15.483 13.358 3.853 1.00 8.11 H new ATOM 0 HD21 LEU A 65 -14.021 15.288 1.975 1.00 8.43 H new ATOM 0 HD22 LEU A 65 -13.613 15.038 3.689 1.00 8.43 H new ATOM 0 HD23 LEU A 65 -12.362 14.842 2.439 1.00 8.43 H new ATOM 1026 N PRO A 66 -9.273 11.684 3.663 1.00 8.06 N ATOM 1027 CA PRO A 66 -8.206 11.263 4.557 1.00 9.40 C ATOM 1028 C PRO A 66 -8.064 12.243 5.726 1.00 9.87 C ATOM 1029 O PRO A 66 -7.185 13.103 5.737 1.00 10.84 O ATOM 1030 CB PRO A 66 -6.956 11.192 3.673 1.00 10.64 C ATOM 1031 CG PRO A 66 -7.225 12.245 2.602 1.00 10.17 C ATOM 1032 CD PRO A 66 -8.736 12.156 2.400 1.00 8.41 C ATOM 0 HA PRO A 66 -8.397 10.298 5.026 1.00 9.40 H new ATOM 0 HB2 PRO A 66 -6.051 11.414 4.238 1.00 10.64 H new ATOM 0 HB3 PRO A 66 -6.826 10.201 3.239 1.00 10.64 H new ATOM 0 HG2 PRO A 66 -6.920 13.239 2.929 1.00 10.17 H new ATOM 0 HG3 PRO A 66 -6.682 12.031 1.681 1.00 10.17 H new ATOM 0 HD2 PRO A 66 -9.154 13.127 2.135 1.00 8.41 H new ATOM 0 HD3 PRO A 66 -8.983 11.471 1.589 1.00 8.41 H new ATOM 1040 N SER A 67 -8.942 12.100 6.716 1.00 9.61 N ATOM 1041 CA SER A 67 -8.897 12.750 8.014 1.00 10.35 C ATOM 1042 C SER A 67 -9.899 12.006 8.908 1.00 10.27 C ATOM 1043 O SER A 67 -10.283 10.884 8.579 1.00 10.38 O ATOM 1044 CB SER A 67 -9.187 14.250 7.865 1.00 10.34 C ATOM 1045 OG SER A 67 -10.505 14.498 7.424 1.00 9.91 O ATOM 0 H SER A 67 -9.753 11.488 6.623 1.00 9.61 H new ATOM 0 HA SER A 67 -7.911 12.699 8.476 1.00 10.35 H new ATOM 0 HB2 SER A 67 -9.027 14.746 8.822 1.00 10.34 H new ATOM 0 HB3 SER A 67 -8.481 14.686 7.158 1.00 10.34 H new ATOM 0 HG SER A 67 -11.029 14.882 8.158 1.00 9.91 H new ATOM 1051 N GLU A 68 -10.346 12.590 10.020 1.00 10.53 N ATOM 1052 CA GLU A 68 -11.355 11.985 10.884 1.00 10.90 C ATOM 1053 C GLU A 68 -12.219 13.138 11.388 1.00 10.56 C ATOM 1054 O GLU A 68 -12.144 13.540 12.546 1.00 11.49 O ATOM 1055 CB GLU A 68 -10.703 11.175 12.021 1.00 12.20 C ATOM 1056 CG GLU A 68 -10.523 9.704 11.621 1.00 13.23 C ATOM 1057 CD GLU A 68 -9.883 8.889 12.747 1.00 14.58 C ATOM 1058 OE1 GLU A 68 -8.668 8.608 12.639 1.00 15.30 O ATOM 1059 OE2 GLU A 68 -10.618 8.554 13.703 1.00 15.11 O ATOM 0 H GLU A 68 -10.016 13.498 10.346 1.00 10.53 H new ATOM 0 HA GLU A 68 -11.971 11.262 10.349 1.00 10.90 H new ATOM 0 HB2 GLU A 68 -9.734 11.608 12.271 1.00 12.20 H new ATOM 0 HB3 GLU A 68 -11.321 11.238 12.917 1.00 12.20 H new ATOM 0 HG2 GLU A 68 -11.492 9.275 11.365 1.00 13.23 H new ATOM 0 HG3 GLU A 68 -9.901 9.643 10.728 1.00 13.23 H new ATOM 1066 N SER A 69 -13.007 13.707 10.471 1.00 9.63 N ATOM 1067 CA SER A 69 -13.345 15.127 10.517 1.00 9.75 C ATOM 1068 C SER A 69 -12.058 15.946 10.582 1.00 10.08 C ATOM 1069 O SER A 69 -11.071 15.468 9.972 1.00 10.26 O ATOM 1070 CB SER A 69 -14.301 15.440 11.668 1.00 10.34 C ATOM 1071 OG SER A 69 -15.414 14.575 11.572 1.00 10.56 O ATOM 1072 OXT SER A 69 -12.094 17.037 11.184 1.00 10.53 O ATOM 0 H SER A 69 -13.422 13.202 9.688 1.00 9.63 H new ATOM 0 HA SER A 69 -13.879 15.402 9.608 1.00 9.75 H new ATOM 0 HB2 SER A 69 -13.798 15.306 12.626 1.00 10.34 H new ATOM 0 HB3 SER A 69 -14.624 16.480 11.620 1.00 10.34 H new ATOM 0 HG SER A 69 -16.037 14.761 12.305 1.00 10.56 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 101 0.731 -4.081 6.712 1.00 0.71 ZN HETATM 1080 ZN ZN A 102 2.232 4.396 -6.567 1.00 1.00 ZN