USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 37 HIS HD1 : A 37 HIS ND1 : A 71 ZNZN :(H bumps) USER MOD NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 70 ZNZN :(H bumps) USER MOD Set 1.1: A 52 LYS NZ :NH3+ 175:sc= 0.446 (180deg=0) USER MOD Set 1.2: A 67 SER OG : rot 58:sc= 0.413 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -42:sc= 0.24 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 49:sc= 0.749 USER MOD Single : A 36 MET CE :methyl 178:sc= -0.367 (180deg=-0.386) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 50 THR OG1 : rot 29:sc= 0.857 USER MOD Single : A 51 ASN : amide:sc=-0.00684 K(o=-0.0068,f=-0.69) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.256 -24.385 -4.590 1.00 20.83 N ATOM 2 CA MET A 1 8.474 -25.035 -4.075 1.00 21.17 C ATOM 3 C MET A 1 8.113 -26.008 -2.957 1.00 21.06 C ATOM 4 O MET A 1 8.000 -27.190 -3.256 1.00 21.94 O ATOM 5 CB MET A 1 9.543 -23.999 -3.703 1.00 21.04 C ATOM 6 CG MET A 1 10.266 -23.558 -4.984 1.00 22.14 C ATOM 7 SD MET A 1 10.585 -21.782 -5.148 1.00 22.14 S ATOM 8 CE MET A 1 9.031 -21.221 -5.894 1.00 22.22 C ATOM 0 H1 MET A 1 7.511 -23.724 -5.351 1.00 20.83 H new ATOM 0 H2 MET A 1 6.607 -25.108 -4.962 1.00 20.83 H new ATOM 0 H3 MET A 1 6.789 -23.864 -3.821 1.00 20.83 H new ATOM 0 HA MET A 1 8.934 -25.635 -4.860 1.00 21.17 H new ATOM 0 HB2 MET A 1 9.083 -23.140 -3.214 1.00 21.04 H new ATOM 0 HB3 MET A 1 10.254 -24.426 -2.996 1.00 21.04 H new ATOM 0 HG2 MET A 1 11.219 -24.084 -5.039 1.00 22.14 H new ATOM 0 HG3 MET A 1 9.674 -23.881 -5.840 1.00 22.14 H new ATOM 0 HE1 MET A 1 9.073 -20.144 -6.057 1.00 22.22 H new ATOM 0 HE2 MET A 1 8.882 -21.727 -6.848 1.00 22.22 H new ATOM 0 HE3 MET A 1 8.202 -21.455 -5.226 1.00 22.22 H new ATOM 20 N LYS A 2 7.868 -25.517 -1.733 1.00 20.18 N ATOM 21 CA LYS A 2 7.750 -26.262 -0.473 1.00 20.12 C ATOM 22 C LYS A 2 9.160 -26.453 0.073 1.00 20.37 C ATOM 23 O LYS A 2 9.950 -27.200 -0.494 1.00 21.29 O ATOM 24 CB LYS A 2 7.009 -27.615 -0.541 1.00 20.77 C ATOM 25 CG LYS A 2 5.496 -27.481 -0.779 1.00 20.69 C ATOM 26 CD LYS A 2 5.027 -27.820 -2.198 1.00 21.67 C ATOM 27 CE LYS A 2 5.296 -29.296 -2.517 1.00 23.02 C ATOM 28 NZ LYS A 2 4.597 -29.735 -3.745 1.00 23.95 N ATOM 0 H LYS A 2 7.738 -24.516 -1.589 1.00 20.18 H new ATOM 0 HA LYS A 2 7.116 -25.666 0.183 1.00 20.12 H new ATOM 0 HB2 LYS A 2 7.442 -28.216 -1.341 1.00 20.77 H new ATOM 0 HB3 LYS A 2 7.175 -28.157 0.390 1.00 20.77 H new ATOM 0 HG2 LYS A 2 4.975 -28.131 -0.076 1.00 20.69 H new ATOM 0 HG3 LYS A 2 5.197 -26.458 -0.549 1.00 20.69 H new ATOM 0 HD2 LYS A 2 3.962 -27.610 -2.295 1.00 21.67 H new ATOM 0 HD3 LYS A 2 5.544 -27.186 -2.919 1.00 21.67 H new ATOM 0 HE2 LYS A 2 6.368 -29.452 -2.635 1.00 23.02 H new ATOM 0 HE3 LYS A 2 4.975 -29.913 -1.677 1.00 23.02 H new ATOM 0 HZ1 LYS A 2 4.806 -30.738 -3.924 1.00 23.95 H new ATOM 0 HZ2 LYS A 2 3.572 -29.611 -3.624 1.00 23.95 H new ATOM 0 HZ3 LYS A 2 4.922 -29.165 -4.552 1.00 23.95 H new ATOM 42 N GLN A 3 9.477 -25.733 1.145 1.00 19.77 N ATOM 43 CA GLN A 3 10.752 -25.790 1.834 1.00 20.07 C ATOM 44 C GLN A 3 10.507 -25.266 3.246 1.00 18.86 C ATOM 45 O GLN A 3 9.362 -25.026 3.631 1.00 17.93 O ATOM 46 CB GLN A 3 11.802 -24.957 1.072 1.00 20.78 C ATOM 47 CG GLN A 3 13.139 -25.705 1.001 1.00 22.25 C ATOM 48 CD GLN A 3 14.196 -24.864 0.294 1.00 23.11 C ATOM 49 OE1 GLN A 3 14.395 -24.986 -0.910 1.00 23.66 O ATOM 50 NE2 GLN A 3 14.879 -23.992 1.020 1.00 23.42 N ATOM 0 H GLN A 3 8.826 -25.072 1.569 1.00 19.77 H new ATOM 0 HA GLN A 3 11.146 -26.805 1.882 1.00 20.07 H new ATOM 0 HB2 GLN A 3 11.444 -24.745 0.064 1.00 20.78 H new ATOM 0 HB3 GLN A 3 11.942 -23.997 1.569 1.00 20.78 H new ATOM 0 HG2 GLN A 3 13.477 -25.950 2.008 1.00 22.25 H new ATOM 0 HG3 GLN A 3 13.005 -26.648 0.471 1.00 22.25 H new ATOM 0 HE21 GLN A 3 14.697 -23.907 2.020 1.00 23.42 H new ATOM 0 HE22 GLN A 3 15.587 -23.405 0.579 1.00 23.42 H new ATOM 59 N ASP A 4 11.579 -25.087 4.003 1.00 19.10 N ATOM 60 CA ASP A 4 11.562 -24.335 5.247 1.00 18.22 C ATOM 61 C ASP A 4 11.014 -22.927 5.005 1.00 17.21 C ATOM 62 O ASP A 4 11.316 -22.295 3.994 1.00 17.46 O ATOM 63 CB ASP A 4 12.974 -24.282 5.848 1.00 19.13 C ATOM 64 CG ASP A 4 14.001 -23.626 4.917 1.00 20.20 C ATOM 65 OD1 ASP A 4 14.218 -24.196 3.820 1.00 20.87 O ATOM 66 OD2 ASP A 4 14.585 -22.600 5.324 1.00 20.59 O ATOM 0 H ASP A 4 12.496 -25.465 3.767 1.00 19.10 H new ATOM 0 HA ASP A 4 10.906 -24.836 5.959 1.00 18.22 H new ATOM 0 HB2 ASP A 4 12.942 -23.732 6.788 1.00 19.13 H new ATOM 0 HB3 ASP A 4 13.301 -25.295 6.083 1.00 19.13 H new ATOM 71 N GLY A 5 10.179 -22.444 5.927 1.00 16.26 N ATOM 72 CA GLY A 5 9.550 -21.138 5.850 1.00 15.39 C ATOM 73 C GLY A 5 8.366 -21.102 6.811 1.00 13.86 C ATOM 74 O GLY A 5 7.839 -22.154 7.174 1.00 13.60 O ATOM 0 H GLY A 5 9.920 -22.967 6.764 1.00 16.26 H new ATOM 0 HA2 GLY A 5 10.267 -20.358 6.106 1.00 15.39 H new ATOM 0 HA3 GLY A 5 9.215 -20.940 4.832 1.00 15.39 H new ATOM 78 N GLU A 6 7.943 -19.910 7.226 1.00 13.09 N ATOM 79 CA GLU A 6 6.762 -19.701 8.048 1.00 11.76 C ATOM 80 C GLU A 6 6.320 -18.252 7.833 1.00 11.08 C ATOM 81 O GLU A 6 7.134 -17.440 7.404 1.00 11.83 O ATOM 82 CB GLU A 6 7.088 -19.958 9.529 1.00 11.79 C ATOM 83 CG GLU A 6 5.847 -20.463 10.276 1.00 11.21 C ATOM 84 CD GLU A 6 6.054 -20.492 11.794 1.00 11.70 C ATOM 85 OE1 GLU A 6 7.167 -20.866 12.223 1.00 12.58 O ATOM 86 OE2 GLU A 6 5.086 -20.150 12.508 1.00 11.50 O ATOM 0 H GLU A 6 8.427 -19.043 6.992 1.00 13.09 H new ATOM 0 HA GLU A 6 5.965 -20.390 7.769 1.00 11.76 H new ATOM 0 HB2 GLU A 6 7.890 -20.692 9.608 1.00 11.79 H new ATOM 0 HB3 GLU A 6 7.449 -19.040 9.992 1.00 11.79 H new ATOM 0 HG2 GLU A 6 4.998 -19.822 10.040 1.00 11.21 H new ATOM 0 HG3 GLU A 6 5.598 -21.465 9.926 1.00 11.21 H new ATOM 93 N GLU A 7 5.067 -17.906 8.127 1.00 9.98 N ATOM 94 CA GLU A 7 4.587 -16.531 8.054 1.00 9.56 C ATOM 95 C GLU A 7 3.395 -16.408 9.005 1.00 8.31 C ATOM 96 O GLU A 7 2.857 -17.424 9.449 1.00 8.16 O ATOM 97 CB GLU A 7 4.174 -16.189 6.612 1.00 10.22 C ATOM 98 CG GLU A 7 4.536 -14.744 6.249 1.00 11.01 C ATOM 99 CD GLU A 7 6.036 -14.573 5.992 1.00 12.39 C ATOM 100 OE1 GLU A 7 6.487 -14.990 4.901 1.00 13.39 O ATOM 101 OE2 GLU A 7 6.701 -14.005 6.889 1.00 12.74 O ATOM 0 H GLU A 7 4.356 -18.575 8.423 1.00 9.98 H new ATOM 0 HA GLU A 7 5.371 -15.832 8.344 1.00 9.56 H new ATOM 0 HB2 GLU A 7 4.666 -16.873 5.920 1.00 10.22 H new ATOM 0 HB3 GLU A 7 3.100 -16.336 6.496 1.00 10.22 H new ATOM 0 HG2 GLU A 7 3.980 -14.444 5.361 1.00 11.01 H new ATOM 0 HG3 GLU A 7 4.229 -14.080 7.057 1.00 11.01 H new ATOM 108 N GLY A 8 2.949 -15.188 9.302 1.00 7.79 N ATOM 109 CA GLY A 8 1.784 -14.972 10.147 1.00 6.81 C ATOM 110 C GLY A 8 1.081 -13.685 9.738 1.00 6.15 C ATOM 111 O GLY A 8 1.741 -12.710 9.393 1.00 6.89 O ATOM 0 H GLY A 8 3.384 -14.329 8.964 1.00 7.79 H new ATOM 0 HA2 GLY A 8 1.099 -15.815 10.059 1.00 6.81 H new ATOM 0 HA3 GLY A 8 2.087 -14.915 11.192 1.00 6.81 H new ATOM 115 N THR A 9 -0.253 -13.681 9.775 1.00 5.33 N ATOM 116 CA THR A 9 -1.055 -12.514 9.452 1.00 5.14 C ATOM 117 C THR A 9 -1.378 -11.780 10.753 1.00 4.09 C ATOM 118 O THR A 9 -2.117 -12.295 11.590 1.00 4.20 O ATOM 119 CB THR A 9 -2.270 -12.912 8.600 1.00 6.01 C ATOM 120 OG1 THR A 9 -2.962 -11.771 8.148 1.00 6.54 O ATOM 121 CG2 THR A 9 -3.254 -13.813 9.333 1.00 6.09 C ATOM 0 H THR A 9 -0.806 -14.498 10.033 1.00 5.33 H new ATOM 0 HA THR A 9 -0.510 -11.809 8.824 1.00 5.14 H new ATOM 0 HB THR A 9 -1.862 -13.473 7.759 1.00 6.01 H new ATOM 0 HG1 THR A 9 -3.730 -12.048 7.606 1.00 6.54 H new ATOM 0 HG21 THR A 9 -4.087 -14.055 8.673 1.00 6.09 H new ATOM 0 HG22 THR A 9 -2.751 -14.732 9.634 1.00 6.09 H new ATOM 0 HG23 THR A 9 -3.630 -13.298 10.217 1.00 6.09 H new ATOM 129 N GLU A 10 -0.775 -10.610 10.968 1.00 3.86 N ATOM 130 CA GLU A 10 -1.095 -9.735 12.088 1.00 3.42 C ATOM 131 C GLU A 10 -0.483 -8.371 11.778 1.00 3.29 C ATOM 132 O GLU A 10 0.617 -8.319 11.233 1.00 4.59 O ATOM 133 CB GLU A 10 -0.535 -10.293 13.410 1.00 4.14 C ATOM 134 CG GLU A 10 -1.645 -10.583 14.429 1.00 4.73 C ATOM 135 CD GLU A 10 -2.341 -9.317 14.938 1.00 5.27 C ATOM 136 OE1 GLU A 10 -2.791 -8.517 14.083 1.00 5.73 O ATOM 137 OE2 GLU A 10 -2.431 -9.170 16.177 1.00 6.00 O ATOM 0 H GLU A 10 -0.043 -10.242 10.360 1.00 3.86 H new ATOM 0 HA GLU A 10 -2.175 -9.659 12.213 1.00 3.42 H new ATOM 0 HB2 GLU A 10 0.021 -11.209 13.210 1.00 4.14 H new ATOM 0 HB3 GLU A 10 0.170 -9.578 13.835 1.00 4.14 H new ATOM 0 HG2 GLU A 10 -2.386 -11.239 13.973 1.00 4.73 H new ATOM 0 HG3 GLU A 10 -1.220 -11.122 15.276 1.00 4.73 H new ATOM 144 N GLU A 11 -1.207 -7.283 12.061 1.00 2.52 N ATOM 145 CA GLU A 11 -0.855 -5.891 11.755 1.00 2.49 C ATOM 146 C GLU A 11 -0.402 -5.660 10.304 1.00 2.26 C ATOM 147 O GLU A 11 0.141 -4.612 9.976 1.00 3.46 O ATOM 148 CB GLU A 11 0.186 -5.393 12.763 1.00 3.06 C ATOM 149 CG GLU A 11 0.111 -3.873 12.979 1.00 3.26 C ATOM 150 CD GLU A 11 1.040 -3.419 14.108 1.00 4.64 C ATOM 151 OE1 GLU A 11 0.596 -3.484 15.276 1.00 5.58 O ATOM 152 OE2 GLU A 11 2.177 -3.003 13.793 1.00 5.34 O ATOM 0 H GLU A 11 -2.106 -7.354 12.537 1.00 2.52 H new ATOM 0 HA GLU A 11 -1.768 -5.303 11.851 1.00 2.49 H new ATOM 0 HB2 GLU A 11 0.037 -5.901 13.716 1.00 3.06 H new ATOM 0 HB3 GLU A 11 1.183 -5.659 12.413 1.00 3.06 H new ATOM 0 HG2 GLU A 11 0.381 -3.360 12.056 1.00 3.26 H new ATOM 0 HG3 GLU A 11 -0.915 -3.588 13.214 1.00 3.26 H new ATOM 159 N ASP A 12 -0.666 -6.615 9.417 1.00 1.75 N ATOM 160 CA ASP A 12 -0.246 -6.637 8.032 1.00 1.41 C ATOM 161 C ASP A 12 -1.128 -7.694 7.395 1.00 1.42 C ATOM 162 O ASP A 12 -0.976 -8.887 7.644 1.00 2.26 O ATOM 163 CB ASP A 12 1.244 -6.992 7.941 1.00 1.67 C ATOM 164 CG ASP A 12 1.766 -6.817 6.519 1.00 2.50 C ATOM 165 OD1 ASP A 12 0.962 -7.050 5.588 1.00 3.67 O ATOM 166 OD2 ASP A 12 2.947 -6.404 6.388 1.00 3.27 O ATOM 0 H ASP A 12 -1.211 -7.440 9.667 1.00 1.75 H new ATOM 0 HA ASP A 12 -0.351 -5.676 7.529 1.00 1.41 H new ATOM 0 HB2 ASP A 12 1.814 -6.359 8.621 1.00 1.67 H new ATOM 0 HB3 ASP A 12 1.396 -8.022 8.263 1.00 1.67 H new ATOM 171 N THR A 13 -2.123 -7.234 6.642 1.00 1.07 N ATOM 172 CA THR A 13 -3.030 -8.104 5.908 1.00 1.13 C ATOM 173 C THR A 13 -2.694 -8.001 4.427 1.00 0.91 C ATOM 174 O THR A 13 -3.586 -7.798 3.605 1.00 1.65 O ATOM 175 CB THR A 13 -4.494 -7.784 6.249 1.00 1.51 C ATOM 176 OG1 THR A 13 -5.381 -8.669 5.601 1.00 1.78 O ATOM 177 CG2 THR A 13 -4.887 -6.360 5.873 1.00 1.51 C ATOM 0 H THR A 13 -2.322 -6.240 6.525 1.00 1.07 H new ATOM 0 HA THR A 13 -2.900 -9.146 6.202 1.00 1.13 H new ATOM 0 HB THR A 13 -4.571 -7.899 7.330 1.00 1.51 H new ATOM 0 HG1 THR A 13 -5.083 -8.813 4.679 1.00 1.78 H new ATOM 0 HG21 THR A 13 -5.931 -6.189 6.136 1.00 1.51 H new ATOM 0 HG22 THR A 13 -4.256 -5.654 6.413 1.00 1.51 H new ATOM 0 HG23 THR A 13 -4.755 -6.217 4.800 1.00 1.51 H new ATOM 185 N GLU A 14 -1.409 -8.114 4.082 1.00 0.49 N ATOM 186 CA GLU A 14 -0.976 -8.048 2.699 1.00 0.56 C ATOM 187 C GLU A 14 -1.853 -8.935 1.801 1.00 0.80 C ATOM 188 O GLU A 14 -1.878 -10.155 1.939 1.00 1.26 O ATOM 189 CB GLU A 14 0.497 -8.469 2.574 1.00 0.94 C ATOM 190 CG GLU A 14 0.873 -9.820 3.214 1.00 1.75 C ATOM 191 CD GLU A 14 1.908 -10.590 2.386 1.00 2.27 C ATOM 192 OE1 GLU A 14 1.760 -10.623 1.142 1.00 2.95 O ATOM 193 OE2 GLU A 14 2.845 -11.139 3.005 1.00 3.17 O ATOM 0 H GLU A 14 -0.652 -8.252 4.752 1.00 0.49 H new ATOM 0 HA GLU A 14 -1.079 -7.015 2.367 1.00 0.56 H new ATOM 0 HB2 GLU A 14 0.754 -8.507 1.515 1.00 0.94 H new ATOM 0 HB3 GLU A 14 1.115 -7.692 3.024 1.00 0.94 H new ATOM 0 HG2 GLU A 14 1.268 -9.647 4.215 1.00 1.75 H new ATOM 0 HG3 GLU A 14 -0.024 -10.428 3.326 1.00 1.75 H new ATOM 200 N GLU A 15 -2.605 -8.344 0.874 1.00 0.83 N ATOM 201 CA GLU A 15 -3.428 -9.123 -0.023 1.00 1.07 C ATOM 202 C GLU A 15 -3.607 -8.335 -1.314 1.00 1.09 C ATOM 203 O GLU A 15 -4.637 -7.697 -1.514 1.00 2.34 O ATOM 204 CB GLU A 15 -4.765 -9.499 0.640 1.00 1.45 C ATOM 205 CG GLU A 15 -5.504 -10.541 -0.211 1.00 1.88 C ATOM 206 CD GLU A 15 -6.885 -10.873 0.357 1.00 2.26 C ATOM 207 OE1 GLU A 15 -6.935 -11.401 1.490 1.00 3.07 O ATOM 208 OE2 GLU A 15 -7.877 -10.607 -0.359 1.00 2.85 O ATOM 0 H GLU A 15 -2.655 -7.335 0.732 1.00 0.83 H new ATOM 0 HA GLU A 15 -2.942 -10.069 -0.261 1.00 1.07 H new ATOM 0 HB2 GLU A 15 -4.585 -9.896 1.639 1.00 1.45 H new ATOM 0 HB3 GLU A 15 -5.384 -8.609 0.757 1.00 1.45 H new ATOM 0 HG2 GLU A 15 -5.612 -10.167 -1.229 1.00 1.88 H new ATOM 0 HG3 GLU A 15 -4.907 -11.451 -0.268 1.00 1.88 H new ATOM 215 N LYS A 16 -2.598 -8.416 -2.191 1.00 0.88 N ATOM 216 CA LYS A 16 -2.571 -7.831 -3.531 1.00 0.77 C ATOM 217 C LYS A 16 -2.479 -6.295 -3.478 1.00 0.69 C ATOM 218 O LYS A 16 -2.939 -5.654 -2.535 1.00 1.00 O ATOM 219 CB LYS A 16 -3.706 -8.457 -4.367 1.00 0.91 C ATOM 220 CG LYS A 16 -4.658 -7.505 -5.083 1.00 1.84 C ATOM 221 CD LYS A 16 -5.691 -6.966 -4.096 1.00 2.77 C ATOM 222 CE LYS A 16 -6.818 -6.227 -4.810 1.00 4.15 C ATOM 223 NZ LYS A 16 -7.948 -5.998 -3.883 1.00 4.97 N ATOM 0 H LYS A 16 -1.737 -8.917 -1.971 1.00 0.88 H new ATOM 0 HA LYS A 16 -1.657 -8.083 -4.069 1.00 0.77 H new ATOM 0 HB2 LYS A 16 -3.253 -9.107 -5.116 1.00 0.91 H new ATOM 0 HB3 LYS A 16 -4.298 -9.093 -3.709 1.00 0.91 H new ATOM 0 HG2 LYS A 16 -4.098 -6.680 -5.524 1.00 1.84 H new ATOM 0 HG3 LYS A 16 -5.159 -8.024 -5.900 1.00 1.84 H new ATOM 0 HD2 LYS A 16 -6.106 -7.791 -3.516 1.00 2.77 H new ATOM 0 HD3 LYS A 16 -5.204 -6.293 -3.390 1.00 2.77 H new ATOM 0 HE2 LYS A 16 -6.453 -5.274 -5.192 1.00 4.15 H new ATOM 0 HE3 LYS A 16 -7.155 -6.806 -5.669 1.00 4.15 H new ATOM 0 HZ1 LYS A 16 -8.709 -5.494 -4.381 1.00 4.97 H new ATOM 0 HZ2 LYS A 16 -8.305 -6.912 -3.539 1.00 4.97 H new ATOM 0 HZ3 LYS A 16 -7.625 -5.427 -3.076 1.00 4.97 H new ATOM 237 N CYS A 17 -1.819 -5.674 -4.460 1.00 0.44 N ATOM 238 CA CYS A 17 -1.711 -4.237 -4.504 1.00 0.36 C ATOM 239 C CYS A 17 -3.079 -3.674 -4.888 1.00 0.39 C ATOM 240 O CYS A 17 -3.820 -4.246 -5.687 1.00 0.55 O ATOM 241 CB CYS A 17 -0.631 -3.800 -5.505 1.00 0.36 C ATOM 242 SG CYS A 17 0.073 -2.152 -5.143 1.00 0.33 S ATOM 0 H CYS A 17 -1.355 -6.156 -5.230 1.00 0.44 H new ATOM 0 HA CYS A 17 -1.413 -3.853 -3.529 1.00 0.36 H new ATOM 0 HB2 CYS A 17 0.172 -4.537 -5.506 1.00 0.36 H new ATOM 0 HB3 CYS A 17 -1.058 -3.792 -6.508 1.00 0.36 H new ATOM 247 N THR A 18 -3.410 -2.510 -4.353 1.00 0.40 N ATOM 248 CA THR A 18 -4.670 -1.860 -4.667 1.00 0.47 C ATOM 249 C THR A 18 -4.398 -0.571 -5.423 1.00 0.37 C ATOM 250 O THR A 18 -5.182 -0.191 -6.286 1.00 0.42 O ATOM 251 CB THR A 18 -5.533 -1.757 -3.404 1.00 0.64 C ATOM 252 OG1 THR A 18 -6.838 -2.220 -3.660 1.00 1.48 O ATOM 253 CG2 THR A 18 -5.605 -0.346 -2.848 1.00 1.30 C ATOM 0 H THR A 18 -2.821 -1.996 -3.698 1.00 0.40 H new ATOM 0 HA THR A 18 -5.280 -2.450 -5.351 1.00 0.47 H new ATOM 0 HB THR A 18 -5.050 -2.383 -2.654 1.00 0.64 H new ATOM 0 HG1 THR A 18 -7.376 -2.150 -2.844 1.00 1.48 H new ATOM 0 HG21 THR A 18 -6.230 -0.338 -1.955 1.00 1.30 H new ATOM 0 HG22 THR A 18 -4.602 -0.004 -2.592 1.00 1.30 H new ATOM 0 HG23 THR A 18 -6.035 0.319 -3.597 1.00 1.30 H new ATOM 261 N ILE A 19 -3.241 0.050 -5.194 1.00 0.28 N ATOM 262 CA ILE A 19 -2.824 1.180 -5.985 1.00 0.27 C ATOM 263 C ILE A 19 -2.502 0.701 -7.399 1.00 0.34 C ATOM 264 O ILE A 19 -2.875 1.365 -8.359 1.00 0.48 O ATOM 265 CB ILE A 19 -1.658 1.865 -5.264 1.00 0.31 C ATOM 266 CG1 ILE A 19 -2.185 2.535 -3.979 1.00 0.38 C ATOM 267 CG2 ILE A 19 -0.991 2.910 -6.156 1.00 0.43 C ATOM 268 CD1 ILE A 19 -1.873 1.742 -2.713 1.00 0.50 C ATOM 0 H ILE A 19 -2.583 -0.220 -4.463 1.00 0.28 H new ATOM 0 HA ILE A 19 -3.609 1.929 -6.093 1.00 0.27 H new ATOM 0 HB ILE A 19 -0.911 1.111 -5.016 1.00 0.31 H new ATOM 0 HG12 ILE A 19 -1.750 3.531 -3.892 1.00 0.38 H new ATOM 0 HG13 ILE A 19 -3.264 2.665 -4.061 1.00 0.38 H new ATOM 0 HG21 ILE A 19 -0.168 3.378 -5.616 1.00 0.43 H new ATOM 0 HG22 ILE A 19 -0.607 2.429 -7.056 1.00 0.43 H new ATOM 0 HG23 ILE A 19 -1.721 3.670 -6.434 1.00 0.43 H new ATOM 0 HD11 ILE A 19 -2.271 2.269 -1.846 1.00 0.50 H new ATOM 0 HD12 ILE A 19 -2.331 0.755 -2.780 1.00 0.50 H new ATOM 0 HD13 ILE A 19 -0.793 1.635 -2.608 1.00 0.50 H new ATOM 280 N CYS A 20 -1.869 -0.470 -7.539 1.00 0.33 N ATOM 281 CA CYS A 20 -1.656 -1.025 -8.872 1.00 0.46 C ATOM 282 C CYS A 20 -2.873 -1.838 -9.345 1.00 0.50 C ATOM 283 O CYS A 20 -2.768 -2.508 -10.368 1.00 0.59 O ATOM 284 CB CYS A 20 -0.408 -1.912 -8.915 1.00 0.57 C ATOM 285 SG CYS A 20 1.087 -1.021 -8.398 1.00 1.04 S ATOM 0 H CYS A 20 -1.507 -1.033 -6.770 1.00 0.33 H new ATOM 0 HA CYS A 20 -1.514 -0.179 -9.544 1.00 0.46 H new ATOM 0 HB2 CYS A 20 -0.556 -2.776 -8.267 1.00 0.57 H new ATOM 0 HB3 CYS A 20 -0.270 -2.293 -9.927 1.00 0.57 H new ATOM 290 N LEU A 21 -4.002 -1.817 -8.619 1.00 0.52 N ATOM 291 CA LEU A 21 -5.212 -2.578 -8.949 1.00 0.58 C ATOM 292 C LEU A 21 -4.923 -4.005 -9.444 1.00 0.61 C ATOM 293 O LEU A 21 -5.546 -4.493 -10.385 1.00 0.82 O ATOM 294 CB LEU A 21 -6.081 -1.759 -9.900 1.00 0.65 C ATOM 295 CG LEU A 21 -7.095 -0.893 -9.132 1.00 0.78 C ATOM 296 CD1 LEU A 21 -6.836 0.594 -9.344 1.00 0.86 C ATOM 297 CD2 LEU A 21 -8.501 -1.276 -9.587 1.00 1.25 C ATOM 0 H LEU A 21 -4.099 -1.259 -7.771 1.00 0.52 H new ATOM 0 HA LEU A 21 -5.777 -2.740 -8.031 1.00 0.58 H new ATOM 0 HB2 LEU A 21 -5.447 -1.120 -10.515 1.00 0.65 H new ATOM 0 HB3 LEU A 21 -6.612 -2.428 -10.577 1.00 0.65 H new ATOM 0 HG LEU A 21 -6.990 -1.078 -8.063 1.00 0.78 H new ATOM 0 HD11 LEU A 21 -7.571 1.174 -8.787 1.00 0.86 H new ATOM 0 HD12 LEU A 21 -5.835 0.843 -8.992 1.00 0.86 H new ATOM 0 HD13 LEU A 21 -6.916 0.830 -10.405 1.00 0.86 H new ATOM 0 HD21 LEU A 21 -9.234 -0.671 -9.052 1.00 1.25 H new ATOM 0 HD22 LEU A 21 -8.597 -1.100 -10.658 1.00 1.25 H new ATOM 0 HD23 LEU A 21 -8.677 -2.331 -9.376 1.00 1.25 H new ATOM 309 N SER A 22 -3.997 -4.706 -8.792 1.00 0.60 N ATOM 310 CA SER A 22 -3.600 -6.050 -9.191 1.00 0.66 C ATOM 311 C SER A 22 -2.681 -6.666 -8.144 1.00 0.49 C ATOM 312 O SER A 22 -2.197 -5.986 -7.243 1.00 0.41 O ATOM 313 CB SER A 22 -2.887 -6.015 -10.551 1.00 0.80 C ATOM 314 OG SER A 22 -3.808 -6.329 -11.573 1.00 1.76 O ATOM 0 H SER A 22 -3.502 -4.356 -7.972 1.00 0.60 H new ATOM 0 HA SER A 22 -4.499 -6.661 -9.277 1.00 0.66 H new ATOM 0 HB2 SER A 22 -2.458 -5.028 -10.724 1.00 0.80 H new ATOM 0 HB3 SER A 22 -2.062 -6.727 -10.559 1.00 0.80 H new ATOM 0 HG SER A 22 -4.620 -5.793 -11.457 1.00 1.76 H new ATOM 320 N ILE A 23 -2.433 -7.968 -8.273 1.00 0.52 N ATOM 321 CA ILE A 23 -1.479 -8.686 -7.458 1.00 0.48 C ATOM 322 C ILE A 23 -0.116 -8.007 -7.502 1.00 0.45 C ATOM 323 O ILE A 23 0.253 -7.381 -8.494 1.00 0.50 O ATOM 324 CB ILE A 23 -1.426 -10.157 -7.889 1.00 0.58 C ATOM 325 CG1 ILE A 23 -1.485 -10.305 -9.416 1.00 0.57 C ATOM 326 CG2 ILE A 23 -2.502 -10.957 -7.139 1.00 0.97 C ATOM 327 CD1 ILE A 23 -2.849 -10.737 -9.948 1.00 2.37 C ATOM 0 H ILE A 23 -2.902 -8.556 -8.962 1.00 0.52 H new ATOM 0 HA ILE A 23 -1.800 -8.666 -6.417 1.00 0.48 H new ATOM 0 HB ILE A 23 -0.463 -10.583 -7.608 1.00 0.58 H new ATOM 0 HG12 ILE A 23 -1.213 -9.354 -9.873 1.00 0.57 H new ATOM 0 HG13 ILE A 23 -0.737 -11.034 -9.729 1.00 0.57 H new ATOM 0 HG21 ILE A 23 -2.461 -12.001 -7.448 1.00 0.97 H new ATOM 0 HG22 ILE A 23 -2.324 -10.889 -6.066 1.00 0.97 H new ATOM 0 HG23 ILE A 23 -3.486 -10.549 -7.370 1.00 0.97 H new ATOM 0 HD11 ILE A 23 -2.807 -10.818 -11.034 1.00 2.37 H new ATOM 0 HD12 ILE A 23 -3.116 -11.704 -9.522 1.00 2.37 H new ATOM 0 HD13 ILE A 23 -3.599 -9.997 -9.669 1.00 2.37 H new ATOM 339 N LEU A 24 0.604 -8.110 -6.385 1.00 0.54 N ATOM 340 CA LEU A 24 1.983 -7.699 -6.304 1.00 0.67 C ATOM 341 C LEU A 24 2.843 -8.556 -7.226 1.00 0.88 C ATOM 342 O LEU A 24 2.377 -9.495 -7.869 1.00 1.10 O ATOM 343 CB LEU A 24 2.439 -7.806 -4.839 1.00 0.77 C ATOM 344 CG LEU A 24 2.062 -6.577 -4.008 1.00 0.65 C ATOM 345 CD1 LEU A 24 2.362 -6.821 -2.528 1.00 0.69 C ATOM 346 CD2 LEU A 24 2.831 -5.337 -4.462 1.00 0.78 C ATOM 0 H LEU A 24 0.233 -8.485 -5.512 1.00 0.54 H new ATOM 0 HA LEU A 24 2.091 -6.665 -6.633 1.00 0.67 H new ATOM 0 HB2 LEU A 24 1.994 -8.693 -4.389 1.00 0.77 H new ATOM 0 HB3 LEU A 24 3.520 -7.941 -4.809 1.00 0.77 H new ATOM 0 HG LEU A 24 0.995 -6.407 -4.152 1.00 0.65 H new ATOM 0 HD11 LEU A 24 2.088 -5.938 -1.951 1.00 0.69 H new ATOM 0 HD12 LEU A 24 1.786 -7.677 -2.176 1.00 0.69 H new ATOM 0 HD13 LEU A 24 3.426 -7.022 -2.401 1.00 0.69 H new ATOM 0 HD21 LEU A 24 2.539 -4.483 -3.850 1.00 0.78 H new ATOM 0 HD22 LEU A 24 3.901 -5.512 -4.352 1.00 0.78 H new ATOM 0 HD23 LEU A 24 2.602 -5.130 -5.507 1.00 0.78 H new ATOM 358 N GLU A 25 4.116 -8.187 -7.288 1.00 0.91 N ATOM 359 CA GLU A 25 5.105 -8.764 -8.169 1.00 1.15 C ATOM 360 C GLU A 25 6.331 -9.031 -7.306 1.00 0.90 C ATOM 361 O GLU A 25 7.184 -8.162 -7.128 1.00 1.38 O ATOM 362 CB GLU A 25 5.372 -7.830 -9.364 1.00 1.45 C ATOM 363 CG GLU A 25 5.299 -6.360 -8.941 1.00 1.35 C ATOM 364 CD GLU A 25 5.738 -5.367 -10.014 1.00 1.69 C ATOM 365 OE1 GLU A 25 5.677 -5.709 -11.213 1.00 1.91 O ATOM 366 OE2 GLU A 25 6.080 -4.240 -9.588 1.00 2.73 O ATOM 0 H GLU A 25 4.496 -7.446 -6.699 1.00 0.91 H new ATOM 0 HA GLU A 25 4.774 -9.699 -8.620 1.00 1.15 H new ATOM 0 HB2 GLU A 25 6.355 -8.043 -9.783 1.00 1.45 H new ATOM 0 HB3 GLU A 25 4.642 -8.022 -10.150 1.00 1.45 H new ATOM 0 HG2 GLU A 25 4.274 -6.130 -8.649 1.00 1.35 H new ATOM 0 HG3 GLU A 25 5.921 -6.219 -8.057 1.00 1.35 H new ATOM 373 N GLU A 26 6.383 -10.217 -6.699 1.00 0.85 N ATOM 374 CA GLU A 26 7.481 -10.601 -5.828 1.00 1.03 C ATOM 375 C GLU A 26 8.786 -10.532 -6.616 1.00 1.23 C ATOM 376 O GLU A 26 9.043 -11.357 -7.492 1.00 1.74 O ATOM 377 CB GLU A 26 7.274 -12.004 -5.236 1.00 1.79 C ATOM 378 CG GLU A 26 6.136 -12.063 -4.207 1.00 2.77 C ATOM 379 CD GLU A 26 4.799 -12.460 -4.837 1.00 4.05 C ATOM 380 OE1 GLU A 26 4.228 -11.610 -5.557 1.00 5.06 O ATOM 381 OE2 GLU A 26 4.375 -13.615 -4.610 1.00 4.71 O ATOM 0 H GLU A 26 5.664 -10.933 -6.800 1.00 0.85 H new ATOM 0 HA GLU A 26 7.521 -9.907 -4.988 1.00 1.03 H new ATOM 0 HB2 GLU A 26 7.062 -12.705 -6.044 1.00 1.79 H new ATOM 0 HB3 GLU A 26 8.200 -12.333 -4.764 1.00 1.79 H new ATOM 0 HG2 GLU A 26 6.393 -12.778 -3.426 1.00 2.77 H new ATOM 0 HG3 GLU A 26 6.033 -11.090 -3.727 1.00 2.77 H new ATOM 388 N GLY A 27 9.605 -9.528 -6.312 1.00 1.61 N ATOM 389 CA GLY A 27 10.823 -9.260 -7.049 1.00 2.36 C ATOM 390 C GLY A 27 11.568 -8.135 -6.354 1.00 1.84 C ATOM 391 O GLY A 27 12.667 -8.342 -5.848 1.00 2.24 O ATOM 0 H GLY A 27 9.436 -8.879 -5.544 1.00 1.61 H new ATOM 0 HA2 GLY A 27 11.444 -10.155 -7.093 1.00 2.36 H new ATOM 0 HA3 GLY A 27 10.590 -8.982 -8.077 1.00 2.36 H new ATOM 395 N GLU A 28 10.947 -6.956 -6.298 1.00 1.25 N ATOM 396 CA GLU A 28 11.481 -5.838 -5.554 1.00 0.80 C ATOM 397 C GLU A 28 11.038 -5.942 -4.099 1.00 0.64 C ATOM 398 O GLU A 28 10.323 -6.860 -3.690 1.00 0.82 O ATOM 399 CB GLU A 28 10.984 -4.515 -6.164 1.00 1.06 C ATOM 400 CG GLU A 28 12.145 -3.582 -6.511 1.00 1.44 C ATOM 401 CD GLU A 28 12.931 -4.092 -7.720 1.00 2.89 C ATOM 402 OE1 GLU A 28 13.839 -4.921 -7.498 1.00 4.17 O ATOM 403 OE2 GLU A 28 12.613 -3.644 -8.843 1.00 3.89 O ATOM 0 H GLU A 28 10.064 -6.760 -6.769 1.00 1.25 H new ATOM 0 HA GLU A 28 12.570 -5.858 -5.602 1.00 0.80 H new ATOM 0 HB2 GLU A 28 10.404 -4.724 -7.063 1.00 1.06 H new ATOM 0 HB3 GLU A 28 10.315 -4.018 -5.461 1.00 1.06 H new ATOM 0 HG2 GLU A 28 11.761 -2.584 -6.720 1.00 1.44 H new ATOM 0 HG3 GLU A 28 12.811 -3.494 -5.653 1.00 1.44 H new ATOM 410 N ASP A 29 11.438 -4.935 -3.336 1.00 0.46 N ATOM 411 CA ASP A 29 11.032 -4.758 -1.950 1.00 0.42 C ATOM 412 C ASP A 29 9.638 -4.138 -1.905 1.00 0.48 C ATOM 413 O ASP A 29 9.291 -3.259 -2.699 1.00 0.61 O ATOM 414 CB ASP A 29 12.031 -3.870 -1.189 1.00 0.55 C ATOM 415 CG ASP A 29 12.944 -4.703 -0.295 1.00 1.14 C ATOM 416 OD1 ASP A 29 12.381 -5.455 0.532 1.00 1.92 O ATOM 417 OD2 ASP A 29 14.180 -4.560 -0.427 1.00 2.38 O ATOM 0 H ASP A 29 12.066 -4.204 -3.670 1.00 0.46 H new ATOM 0 HA ASP A 29 11.015 -5.734 -1.465 1.00 0.42 H new ATOM 0 HB2 ASP A 29 12.633 -3.304 -1.900 1.00 0.55 H new ATOM 0 HB3 ASP A 29 11.488 -3.145 -0.583 1.00 0.55 H new ATOM 422 N VAL A 30 8.833 -4.568 -0.936 1.00 0.47 N ATOM 423 CA VAL A 30 7.519 -4.016 -0.683 1.00 0.46 C ATOM 424 C VAL A 30 7.510 -3.285 0.650 1.00 0.46 C ATOM 425 O VAL A 30 8.497 -3.318 1.382 1.00 0.54 O ATOM 426 CB VAL A 30 6.473 -5.119 -0.726 1.00 0.53 C ATOM 427 CG1 VAL A 30 6.311 -5.598 -2.156 1.00 0.59 C ATOM 428 CG2 VAL A 30 6.830 -6.279 0.186 1.00 0.60 C ATOM 0 H VAL A 30 9.087 -5.323 -0.298 1.00 0.47 H new ATOM 0 HA VAL A 30 7.272 -3.293 -1.461 1.00 0.46 H new ATOM 0 HB VAL A 30 5.530 -4.709 -0.364 1.00 0.53 H new ATOM 0 HG11 VAL A 30 5.562 -6.389 -2.192 1.00 0.59 H new ATOM 0 HG12 VAL A 30 5.991 -4.767 -2.784 1.00 0.59 H new ATOM 0 HG13 VAL A 30 7.263 -5.983 -2.521 1.00 0.59 H new ATOM 0 HG21 VAL A 30 6.055 -7.043 0.123 1.00 0.60 H new ATOM 0 HG22 VAL A 30 7.785 -6.704 -0.123 1.00 0.60 H new ATOM 0 HG23 VAL A 30 6.907 -5.924 1.214 1.00 0.60 H new ATOM 438 N ARG A 31 6.411 -2.605 0.982 1.00 0.41 N ATOM 439 CA ARG A 31 6.340 -1.874 2.241 1.00 0.43 C ATOM 440 C ARG A 31 4.896 -1.612 2.650 1.00 0.41 C ATOM 441 O ARG A 31 4.061 -1.270 1.818 1.00 0.42 O ATOM 442 CB ARG A 31 7.113 -0.553 2.132 1.00 0.43 C ATOM 443 CG ARG A 31 8.042 -0.295 3.321 1.00 0.66 C ATOM 444 CD ARG A 31 9.239 -1.249 3.253 1.00 1.49 C ATOM 445 NE ARG A 31 10.286 -0.895 4.223 1.00 1.92 N ATOM 446 CZ ARG A 31 10.356 -1.332 5.486 1.00 2.67 C ATOM 447 NH1 ARG A 31 9.418 -2.150 5.967 1.00 3.81 N ATOM 448 NH2 ARG A 31 11.365 -0.949 6.268 1.00 2.98 N ATOM 0 H ARG A 31 5.572 -2.547 0.405 1.00 0.41 H new ATOM 0 HA ARG A 31 6.799 -2.490 3.014 1.00 0.43 H new ATOM 0 HB2 ARG A 31 7.702 -0.559 1.215 1.00 0.43 H new ATOM 0 HB3 ARG A 31 6.403 0.270 2.050 1.00 0.43 H new ATOM 0 HG2 ARG A 31 8.387 0.739 3.309 1.00 0.66 H new ATOM 0 HG3 ARG A 31 7.501 -0.440 4.256 1.00 0.66 H new ATOM 0 HD2 ARG A 31 8.901 -2.268 3.441 1.00 1.49 H new ATOM 0 HD3 ARG A 31 9.658 -1.233 2.247 1.00 1.49 H new ATOM 0 HE ARG A 31 11.021 -0.263 3.906 1.00 1.92 H new ATOM 0 HH11 ARG A 31 8.644 -2.444 5.372 1.00 3.81 H new ATOM 0 HH12 ARG A 31 9.475 -2.481 6.930 1.00 3.81 H new ATOM 0 HH21 ARG A 31 12.083 -0.323 5.904 1.00 2.98 H new ATOM 0 HH22 ARG A 31 11.419 -1.282 7.231 1.00 2.98 H new ATOM 462 N ARG A 32 4.596 -1.744 3.941 1.00 0.50 N ATOM 463 CA ARG A 32 3.273 -1.433 4.443 1.00 0.49 C ATOM 464 C ARG A 32 3.152 0.028 4.824 1.00 0.45 C ATOM 465 O ARG A 32 4.160 0.677 5.098 1.00 0.55 O ATOM 466 CB ARG A 32 2.905 -2.360 5.612 1.00 0.65 C ATOM 467 CG ARG A 32 3.884 -2.305 6.792 1.00 0.68 C ATOM 468 CD ARG A 32 4.551 -3.673 6.956 1.00 1.21 C ATOM 469 NE ARG A 32 5.684 -3.620 7.886 1.00 1.72 N ATOM 470 CZ ARG A 32 6.604 -4.586 7.978 1.00 2.51 C ATOM 471 NH1 ARG A 32 6.460 -5.708 7.268 1.00 3.39 N ATOM 472 NH2 ARG A 32 7.669 -4.415 8.766 1.00 3.10 N ATOM 0 H ARG A 32 5.254 -2.064 4.651 1.00 0.50 H new ATOM 0 HA ARG A 32 2.557 -1.610 3.640 1.00 0.49 H new ATOM 0 HB2 ARG A 32 1.909 -2.098 5.969 1.00 0.65 H new ATOM 0 HB3 ARG A 32 2.853 -3.385 5.245 1.00 0.65 H new ATOM 0 HG2 ARG A 32 4.638 -1.538 6.619 1.00 0.68 H new ATOM 0 HG3 ARG A 32 3.356 -2.032 7.706 1.00 0.68 H new ATOM 0 HD2 ARG A 32 3.818 -4.394 7.318 1.00 1.21 H new ATOM 0 HD3 ARG A 32 4.895 -4.028 5.985 1.00 1.21 H new ATOM 0 HE ARG A 32 5.775 -2.805 8.493 1.00 1.72 H new ATOM 0 HH11 ARG A 32 5.651 -5.826 6.659 1.00 3.39 H new ATOM 0 HH12 ARG A 32 7.159 -6.447 7.335 1.00 3.39 H new ATOM 0 HH21 ARG A 32 7.778 -3.550 9.295 1.00 3.10 H new ATOM 0 HH22 ARG A 32 8.373 -5.150 8.839 1.00 3.10 H new ATOM 486 N LEU A 33 1.920 0.540 4.844 1.00 0.38 N ATOM 487 CA LEU A 33 1.700 1.868 5.400 1.00 0.37 C ATOM 488 C LEU A 33 1.759 1.722 6.921 1.00 0.39 C ATOM 489 O LEU A 33 1.418 0.654 7.430 1.00 0.44 O ATOM 490 CB LEU A 33 0.355 2.488 4.983 1.00 0.43 C ATOM 491 CG LEU A 33 -0.127 2.156 3.574 1.00 0.43 C ATOM 492 CD1 LEU A 33 -1.084 0.959 3.552 1.00 0.85 C ATOM 493 CD2 LEU A 33 -0.807 3.367 2.935 1.00 0.90 C ATOM 0 H LEU A 33 1.086 0.070 4.493 1.00 0.38 H new ATOM 0 HA LEU A 33 2.465 2.544 5.018 1.00 0.37 H new ATOM 0 HB2 LEU A 33 -0.407 2.164 5.692 1.00 0.43 H new ATOM 0 HB3 LEU A 33 0.434 3.571 5.073 1.00 0.43 H new ATOM 0 HG LEU A 33 0.758 1.887 2.997 1.00 0.43 H new ATOM 0 HD11 LEU A 33 -1.398 0.763 2.527 1.00 0.85 H new ATOM 0 HD12 LEU A 33 -0.577 0.080 3.950 1.00 0.85 H new ATOM 0 HD13 LEU A 33 -1.959 1.181 4.163 1.00 0.85 H new ATOM 0 HD21 LEU A 33 -1.143 3.108 1.931 1.00 0.90 H new ATOM 0 HD22 LEU A 33 -1.664 3.664 3.539 1.00 0.90 H new ATOM 0 HD23 LEU A 33 -0.099 4.194 2.879 1.00 0.90 H new ATOM 505 N PRO A 34 2.072 2.789 7.671 1.00 0.45 N ATOM 506 CA PRO A 34 2.050 2.745 9.128 1.00 0.56 C ATOM 507 C PRO A 34 0.659 2.454 9.718 1.00 0.56 C ATOM 508 O PRO A 34 0.540 2.292 10.926 1.00 0.70 O ATOM 509 CB PRO A 34 2.631 4.081 9.609 1.00 0.69 C ATOM 510 CG PRO A 34 2.747 4.980 8.375 1.00 0.60 C ATOM 511 CD PRO A 34 2.495 4.081 7.163 1.00 0.52 C ATOM 0 HA PRO A 34 2.650 1.908 9.484 1.00 0.56 H new ATOM 0 HB2 PRO A 34 1.985 4.536 10.360 1.00 0.69 H new ATOM 0 HB3 PRO A 34 3.606 3.934 10.074 1.00 0.69 H new ATOM 0 HG2 PRO A 34 2.020 5.791 8.415 1.00 0.60 H new ATOM 0 HG3 PRO A 34 3.734 5.439 8.320 1.00 0.60 H new ATOM 0 HD2 PRO A 34 1.729 4.511 6.517 1.00 0.52 H new ATOM 0 HD3 PRO A 34 3.399 3.982 6.562 1.00 0.52 H new ATOM 519 N CYS A 35 -0.383 2.371 8.879 1.00 0.51 N ATOM 520 CA CYS A 35 -1.722 1.931 9.239 1.00 0.58 C ATOM 521 C CYS A 35 -1.667 0.508 9.800 1.00 0.64 C ATOM 522 O CYS A 35 -2.155 0.276 10.902 1.00 0.91 O ATOM 523 CB CYS A 35 -2.584 1.977 7.968 1.00 0.68 C ATOM 524 SG CYS A 35 -4.199 1.175 8.185 1.00 1.20 S ATOM 0 H CYS A 35 -0.304 2.621 7.893 1.00 0.51 H new ATOM 0 HA CYS A 35 -2.150 2.577 10.005 1.00 0.58 H new ATOM 0 HB2 CYS A 35 -2.736 3.016 7.674 1.00 0.68 H new ATOM 0 HB3 CYS A 35 -2.048 1.490 7.153 1.00 0.68 H new ATOM 529 N MET A 36 -1.160 -0.435 8.991 1.00 0.51 N ATOM 530 CA MET A 36 -1.363 -1.882 9.096 1.00 0.58 C ATOM 531 C MET A 36 -1.379 -2.487 7.692 1.00 0.58 C ATOM 532 O MET A 36 -0.625 -3.403 7.394 1.00 0.75 O ATOM 533 CB MET A 36 -2.629 -2.239 9.907 1.00 0.60 C ATOM 534 CG MET A 36 -3.144 -3.669 9.724 1.00 2.02 C ATOM 535 SD MET A 36 -4.519 -3.843 8.561 1.00 3.77 S ATOM 536 CE MET A 36 -5.047 -5.509 9.034 1.00 4.94 C ATOM 0 H MET A 36 -0.563 -0.190 8.201 1.00 0.51 H new ATOM 0 HA MET A 36 -0.533 -2.315 9.654 1.00 0.58 H new ATOM 0 HB2 MET A 36 -2.420 -2.079 10.965 1.00 0.60 H new ATOM 0 HB3 MET A 36 -3.424 -1.546 9.631 1.00 0.60 H new ATOM 0 HG2 MET A 36 -2.319 -4.296 9.385 1.00 2.02 H new ATOM 0 HG3 MET A 36 -3.458 -4.053 10.695 1.00 2.02 H new ATOM 0 HE1 MET A 36 -5.921 -5.794 8.448 1.00 4.94 H new ATOM 0 HE2 MET A 36 -4.238 -6.214 8.845 1.00 4.94 H new ATOM 0 HE3 MET A 36 -5.301 -5.523 10.094 1.00 4.94 H new ATOM 546 N HIS A 37 -2.246 -2.003 6.799 1.00 0.50 N ATOM 547 CA HIS A 37 -2.364 -2.630 5.484 1.00 0.48 C ATOM 548 C HIS A 37 -1.028 -2.531 4.731 1.00 0.41 C ATOM 549 O HIS A 37 -0.308 -1.545 4.885 1.00 0.46 O ATOM 550 CB HIS A 37 -3.498 -1.984 4.680 1.00 0.51 C ATOM 551 CG HIS A 37 -4.871 -2.076 5.332 1.00 0.61 C ATOM 552 ND1 HIS A 37 -5.604 -1.108 6.046 1.00 0.55 N ATOM 553 CD2 HIS A 37 -5.611 -3.222 5.302 1.00 0.82 C ATOM 554 CE1 HIS A 37 -6.718 -1.725 6.463 1.00 0.66 C ATOM 555 NE2 HIS A 37 -6.757 -2.993 6.027 1.00 0.82 N ATOM 0 H HIS A 37 -2.859 -1.203 6.956 1.00 0.50 H new ATOM 0 HA HIS A 37 -2.606 -3.684 5.616 1.00 0.48 H new ATOM 0 HB2 HIS A 37 -3.257 -0.933 4.517 1.00 0.51 H new ATOM 0 HB3 HIS A 37 -3.544 -2.456 3.699 1.00 0.51 H new ATOM 0 HD2 HIS A 37 -5.345 -4.141 4.801 1.00 0.82 H new ATOM 0 HE1 HIS A 37 -7.483 -1.263 7.070 1.00 0.66 H new ATOM 0 HE2 HIS A 37 -7.503 -3.666 6.202 1.00 0.82 H new ATOM 563 N LEU A 38 -0.703 -3.531 3.905 1.00 0.35 N ATOM 564 CA LEU A 38 0.570 -3.569 3.175 1.00 0.34 C ATOM 565 C LEU A 38 0.401 -3.285 1.690 1.00 0.33 C ATOM 566 O LEU A 38 -0.650 -3.584 1.131 1.00 0.38 O ATOM 567 CB LEU A 38 1.284 -4.900 3.411 1.00 0.39 C ATOM 568 CG LEU A 38 2.590 -5.124 2.624 1.00 0.49 C ATOM 569 CD1 LEU A 38 3.594 -5.993 3.379 1.00 0.85 C ATOM 570 CD2 LEU A 38 2.351 -5.773 1.251 1.00 0.99 C ATOM 0 H LEU A 38 -1.309 -4.331 3.724 1.00 0.35 H new ATOM 0 HA LEU A 38 1.193 -2.767 3.570 1.00 0.34 H new ATOM 0 HB2 LEU A 38 1.507 -4.985 4.475 1.00 0.39 H new ATOM 0 HB3 LEU A 38 0.594 -5.707 3.165 1.00 0.39 H new ATOM 0 HG LEU A 38 2.999 -4.122 2.492 1.00 0.49 H new ATOM 0 HD11 LEU A 38 4.494 -6.116 2.776 1.00 0.85 H new ATOM 0 HD12 LEU A 38 3.852 -5.514 4.323 1.00 0.85 H new ATOM 0 HD13 LEU A 38 3.153 -6.970 3.577 1.00 0.85 H new ATOM 0 HD21 LEU A 38 3.305 -5.907 0.741 1.00 0.99 H new ATOM 0 HD22 LEU A 38 1.872 -6.743 1.385 1.00 0.99 H new ATOM 0 HD23 LEU A 38 1.706 -5.130 0.652 1.00 0.99 H new ATOM 582 N PHE A 39 1.453 -2.756 1.047 1.00 0.29 N ATOM 583 CA PHE A 39 1.481 -2.495 -0.386 1.00 0.30 C ATOM 584 C PHE A 39 2.894 -2.656 -0.942 1.00 0.28 C ATOM 585 O PHE A 39 3.800 -3.090 -0.244 1.00 0.31 O ATOM 586 CB PHE A 39 0.925 -1.082 -0.653 1.00 0.30 C ATOM 587 CG PHE A 39 -0.581 -1.044 -0.582 1.00 0.34 C ATOM 588 CD1 PHE A 39 -1.315 -1.978 -1.330 1.00 1.90 C ATOM 589 CD2 PHE A 39 -1.245 -0.156 0.277 1.00 2.21 C ATOM 590 CE1 PHE A 39 -2.704 -2.064 -1.196 1.00 1.87 C ATOM 591 CE2 PHE A 39 -2.641 -0.226 0.397 1.00 2.25 C ATOM 592 CZ PHE A 39 -3.370 -1.164 -0.356 1.00 0.42 C ATOM 0 H PHE A 39 2.317 -2.496 1.522 1.00 0.29 H new ATOM 0 HA PHE A 39 0.853 -3.223 -0.900 1.00 0.30 H new ATOM 0 HB2 PHE A 39 1.340 -0.386 0.076 1.00 0.30 H new ATOM 0 HB3 PHE A 39 1.250 -0.745 -1.637 1.00 0.30 H new ATOM 0 HD1 PHE A 39 -0.802 -2.636 -2.015 1.00 1.90 H new ATOM 0 HD2 PHE A 39 -0.686 0.576 0.841 1.00 2.21 H new ATOM 0 HE1 PHE A 39 -3.258 -2.818 -1.736 1.00 1.87 H new ATOM 0 HE2 PHE A 39 -3.158 0.443 1.070 1.00 2.25 H new ATOM 0 HZ PHE A 39 -4.447 -1.190 -0.286 1.00 0.42 H new ATOM 602 N HIS A 40 3.087 -2.329 -2.220 1.00 0.31 N ATOM 603 CA HIS A 40 4.411 -2.105 -2.793 1.00 0.34 C ATOM 604 C HIS A 40 5.084 -0.948 -2.067 1.00 0.28 C ATOM 605 O HIS A 40 4.418 0.020 -1.714 1.00 0.26 O ATOM 606 CB HIS A 40 4.265 -1.675 -4.251 1.00 0.52 C ATOM 607 CG HIS A 40 4.374 -2.675 -5.350 1.00 0.53 C ATOM 608 ND1 HIS A 40 3.451 -2.687 -6.389 1.00 0.59 N ATOM 609 CD2 HIS A 40 5.495 -3.366 -5.707 1.00 0.76 C ATOM 610 CE1 HIS A 40 4.032 -3.388 -7.375 1.00 0.89 C ATOM 611 NE2 HIS A 40 5.245 -3.823 -6.983 1.00 0.99 N ATOM 0 H HIS A 40 2.325 -2.212 -2.888 1.00 0.31 H new ATOM 0 HA HIS A 40 4.991 -3.024 -2.705 1.00 0.34 H new ATOM 0 HB2 HIS A 40 3.291 -1.195 -4.349 1.00 0.52 H new ATOM 0 HB3 HIS A 40 5.018 -0.909 -4.437 1.00 0.52 H new ATOM 0 HD2 HIS A 40 6.386 -3.521 -5.117 1.00 0.76 H new ATOM 0 HE1 HIS A 40 3.591 -3.576 -8.343 1.00 0.89 H new ATOM 0 HE2 HIS A 40 5.877 -4.398 -7.541 1.00 0.99 H new ATOM 619 N GLN A 41 6.412 -0.975 -1.961 1.00 0.31 N ATOM 620 CA GLN A 41 7.168 0.137 -1.410 1.00 0.29 C ATOM 621 C GLN A 41 7.034 1.355 -2.302 1.00 0.31 C ATOM 622 O GLN A 41 6.584 2.409 -1.863 1.00 0.33 O ATOM 623 CB GLN A 41 8.645 -0.258 -1.236 1.00 0.33 C ATOM 624 CG GLN A 41 9.449 0.815 -0.480 1.00 0.51 C ATOM 625 CD GLN A 41 10.510 1.481 -1.355 1.00 1.04 C ATOM 626 OE1 GLN A 41 11.368 0.814 -1.916 1.00 1.92 O ATOM 627 NE2 GLN A 41 10.491 2.801 -1.478 1.00 2.73 N ATOM 0 H GLN A 41 6.986 -1.765 -2.254 1.00 0.31 H new ATOM 0 HA GLN A 41 6.765 0.388 -0.429 1.00 0.29 H new ATOM 0 HB2 GLN A 41 8.705 -1.203 -0.696 1.00 0.33 H new ATOM 0 HB3 GLN A 41 9.093 -0.422 -2.216 1.00 0.33 H new ATOM 0 HG2 GLN A 41 8.766 1.576 -0.101 1.00 0.51 H new ATOM 0 HG3 GLN A 41 9.931 0.360 0.385 1.00 0.51 H new ATOM 0 HE21 GLN A 41 9.771 3.347 -1.005 1.00 2.73 H new ATOM 0 HE22 GLN A 41 11.197 3.271 -2.045 1.00 2.73 H new ATOM 636 N VAL A 42 7.399 1.205 -3.572 1.00 0.36 N ATOM 637 CA VAL A 42 7.334 2.322 -4.508 1.00 0.42 C ATOM 638 C VAL A 42 5.911 2.870 -4.607 1.00 0.44 C ATOM 639 O VAL A 42 5.707 4.058 -4.857 1.00 0.55 O ATOM 640 CB VAL A 42 7.928 1.902 -5.866 1.00 0.51 C ATOM 641 CG1 VAL A 42 6.892 1.570 -6.946 1.00 0.62 C ATOM 642 CG2 VAL A 42 8.874 2.990 -6.381 1.00 0.62 C ATOM 0 H VAL A 42 7.739 0.331 -3.973 1.00 0.36 H new ATOM 0 HA VAL A 42 7.942 3.147 -4.138 1.00 0.42 H new ATOM 0 HB VAL A 42 8.465 0.973 -5.673 1.00 0.51 H new ATOM 0 HG11 VAL A 42 7.403 1.285 -7.866 1.00 0.62 H new ATOM 0 HG12 VAL A 42 6.266 0.744 -6.608 1.00 0.62 H new ATOM 0 HG13 VAL A 42 6.269 2.444 -7.133 1.00 0.62 H new ATOM 0 HG21 VAL A 42 9.290 2.686 -7.341 1.00 0.62 H new ATOM 0 HG22 VAL A 42 8.324 3.923 -6.503 1.00 0.62 H new ATOM 0 HG23 VAL A 42 9.683 3.137 -5.666 1.00 0.62 H new ATOM 652 N CYS A 43 4.921 2.001 -4.388 1.00 0.36 N ATOM 653 CA CYS A 43 3.541 2.435 -4.483 1.00 0.35 C ATOM 654 C CYS A 43 3.166 3.204 -3.236 1.00 0.29 C ATOM 655 O CYS A 43 2.391 4.137 -3.344 1.00 0.30 O ATOM 656 CB CYS A 43 2.593 1.255 -4.514 1.00 0.34 C ATOM 657 SG CYS A 43 2.554 0.499 -6.176 1.00 0.39 S ATOM 0 H CYS A 43 5.052 1.018 -4.150 1.00 0.36 H new ATOM 0 HA CYS A 43 3.460 3.031 -5.392 1.00 0.35 H new ATOM 0 HB2 CYS A 43 2.905 0.513 -3.779 1.00 0.34 H new ATOM 0 HB3 CYS A 43 1.591 1.580 -4.234 1.00 0.34 H new ATOM 662 N VAL A 44 3.621 2.805 -2.047 1.00 0.26 N ATOM 663 CA VAL A 44 3.247 3.510 -0.835 1.00 0.25 C ATOM 664 C VAL A 44 3.679 4.966 -0.959 1.00 0.28 C ATOM 665 O VAL A 44 3.042 5.855 -0.404 1.00 0.28 O ATOM 666 CB VAL A 44 3.860 2.786 0.380 1.00 0.29 C ATOM 667 CG1 VAL A 44 5.116 3.441 0.952 1.00 0.34 C ATOM 668 CG2 VAL A 44 2.798 2.649 1.464 1.00 0.30 C ATOM 0 H VAL A 44 4.241 2.007 -1.905 1.00 0.26 H new ATOM 0 HA VAL A 44 2.167 3.510 -0.687 1.00 0.25 H new ATOM 0 HB VAL A 44 4.189 1.811 0.021 1.00 0.29 H new ATOM 0 HG11 VAL A 44 5.474 2.861 1.803 1.00 0.34 H new ATOM 0 HG12 VAL A 44 5.890 3.476 0.185 1.00 0.34 H new ATOM 0 HG13 VAL A 44 4.882 4.455 1.277 1.00 0.34 H new ATOM 0 HG21 VAL A 44 3.223 2.138 2.328 1.00 0.30 H new ATOM 0 HG22 VAL A 44 2.453 3.639 1.762 1.00 0.30 H new ATOM 0 HG23 VAL A 44 1.957 2.072 1.079 1.00 0.30 H new ATOM 678 N ASP A 45 4.766 5.179 -1.701 1.00 0.32 N ATOM 679 CA ASP A 45 5.386 6.482 -1.873 1.00 0.42 C ATOM 680 C ASP A 45 4.555 7.347 -2.820 1.00 0.45 C ATOM 681 O ASP A 45 3.955 8.331 -2.391 1.00 0.48 O ATOM 682 CB ASP A 45 6.821 6.298 -2.370 1.00 0.58 C ATOM 683 CG ASP A 45 7.585 7.608 -2.243 1.00 1.25 C ATOM 684 OD1 ASP A 45 7.995 7.904 -1.100 1.00 2.73 O ATOM 685 OD2 ASP A 45 7.736 8.284 -3.283 1.00 1.35 O ATOM 0 H ASP A 45 5.245 4.434 -2.206 1.00 0.32 H new ATOM 0 HA ASP A 45 5.423 7.004 -0.917 1.00 0.42 H new ATOM 0 HB2 ASP A 45 7.318 5.519 -1.792 1.00 0.58 H new ATOM 0 HB3 ASP A 45 6.816 5.969 -3.409 1.00 0.58 H new ATOM 690 N GLN A 46 4.442 6.952 -4.094 1.00 0.48 N ATOM 691 CA GLN A 46 3.602 7.659 -5.062 1.00 0.49 C ATOM 692 C GLN A 46 2.175 7.821 -4.530 1.00 0.49 C ATOM 693 O GLN A 46 1.523 8.838 -4.752 1.00 0.63 O ATOM 694 CB GLN A 46 3.592 6.894 -6.393 1.00 0.53 C ATOM 695 CG GLN A 46 4.872 7.121 -7.211 1.00 1.25 C ATOM 696 CD GLN A 46 4.622 8.031 -8.414 1.00 1.96 C ATOM 697 OE1 GLN A 46 3.864 7.690 -9.312 1.00 1.79 O ATOM 698 NE2 GLN A 46 5.250 9.198 -8.470 1.00 3.48 N ATOM 0 H GLN A 46 4.926 6.141 -4.478 1.00 0.48 H new ATOM 0 HA GLN A 46 4.016 8.654 -5.223 1.00 0.49 H new ATOM 0 HB2 GLN A 46 3.475 5.828 -6.195 1.00 0.53 H new ATOM 0 HB3 GLN A 46 2.729 7.206 -6.981 1.00 0.53 H new ATOM 0 HG2 GLN A 46 5.637 7.563 -6.573 1.00 1.25 H new ATOM 0 HG3 GLN A 46 5.259 6.162 -7.555 1.00 1.25 H new ATOM 0 HE21 GLN A 46 5.880 9.475 -7.717 1.00 3.48 H new ATOM 0 HE22 GLN A 46 5.103 9.819 -9.266 1.00 3.48 H new ATOM 707 N TRP A 47 1.676 6.823 -3.812 1.00 0.36 N ATOM 708 CA TRP A 47 0.355 6.868 -3.232 1.00 0.32 C ATOM 709 C TRP A 47 0.247 7.999 -2.225 1.00 0.31 C ATOM 710 O TRP A 47 -0.670 8.807 -2.322 1.00 0.34 O ATOM 711 CB TRP A 47 0.005 5.532 -2.589 1.00 0.28 C ATOM 712 CG TRP A 47 -1.390 5.477 -2.085 1.00 0.31 C ATOM 713 CD1 TRP A 47 -1.769 5.201 -0.819 1.00 0.33 C ATOM 714 CD2 TRP A 47 -2.609 5.739 -2.835 1.00 0.36 C ATOM 715 NE1 TRP A 47 -3.145 5.241 -0.747 1.00 0.38 N ATOM 716 CE2 TRP A 47 -3.707 5.520 -1.968 1.00 0.40 C ATOM 717 CE3 TRP A 47 -2.905 6.125 -4.160 1.00 0.41 C ATOM 718 CZ2 TRP A 47 -5.030 5.637 -2.390 1.00 0.47 C ATOM 719 CZ3 TRP A 47 -4.235 6.303 -4.581 1.00 0.48 C ATOM 720 CH2 TRP A 47 -5.303 6.042 -3.706 1.00 0.51 C ATOM 0 H TRP A 47 2.184 5.960 -3.619 1.00 0.36 H new ATOM 0 HA TRP A 47 -0.362 7.059 -4.030 1.00 0.32 H new ATOM 0 HB2 TRP A 47 0.154 4.735 -3.317 1.00 0.28 H new ATOM 0 HB3 TRP A 47 0.691 5.342 -1.764 1.00 0.28 H new ATOM 0 HD1 TRP A 47 -1.103 4.984 0.003 1.00 0.33 H new ATOM 0 HE1 TRP A 47 -3.679 5.083 0.107 1.00 0.38 H new ATOM 0 HE3 TRP A 47 -2.099 6.286 -4.860 1.00 0.41 H new ATOM 0 HZ2 TRP A 47 -5.839 5.418 -1.709 1.00 0.47 H new ATOM 0 HZ3 TRP A 47 -4.437 6.643 -5.586 1.00 0.48 H new ATOM 0 HH2 TRP A 47 -6.323 6.152 -4.042 1.00 0.51 H new ATOM 731 N LEU A 48 1.179 8.079 -1.280 1.00 0.31 N ATOM 732 CA LEU A 48 1.280 9.165 -0.323 1.00 0.33 C ATOM 733 C LEU A 48 1.328 10.542 -0.992 1.00 0.38 C ATOM 734 O LEU A 48 0.853 11.518 -0.407 1.00 0.46 O ATOM 735 CB LEU A 48 2.511 8.928 0.564 1.00 0.31 C ATOM 736 CG LEU A 48 2.144 8.318 1.920 1.00 0.36 C ATOM 737 CD1 LEU A 48 3.425 7.926 2.656 1.00 0.38 C ATOM 738 CD2 LEU A 48 1.360 9.303 2.796 1.00 0.45 C ATOM 0 H LEU A 48 1.902 7.369 -1.159 1.00 0.31 H new ATOM 0 HA LEU A 48 0.378 9.169 0.290 1.00 0.33 H new ATOM 0 HB2 LEU A 48 3.206 8.266 0.047 1.00 0.31 H new ATOM 0 HB3 LEU A 48 3.029 9.874 0.722 1.00 0.31 H new ATOM 0 HG LEU A 48 1.515 7.447 1.734 1.00 0.36 H new ATOM 0 HD11 LEU A 48 3.171 7.491 3.623 1.00 0.38 H new ATOM 0 HD12 LEU A 48 3.976 7.196 2.063 1.00 0.38 H new ATOM 0 HD13 LEU A 48 4.043 8.811 2.808 1.00 0.38 H new ATOM 0 HD21 LEU A 48 1.119 8.831 3.749 1.00 0.45 H new ATOM 0 HD22 LEU A 48 1.965 10.192 2.974 1.00 0.45 H new ATOM 0 HD23 LEU A 48 0.438 9.587 2.289 1.00 0.45 H new ATOM 750 N ILE A 49 1.898 10.658 -2.198 1.00 0.37 N ATOM 751 CA ILE A 49 1.811 11.889 -2.961 1.00 0.41 C ATOM 752 C ILE A 49 0.347 12.186 -3.304 1.00 0.39 C ATOM 753 O ILE A 49 -0.090 13.322 -3.140 1.00 0.56 O ATOM 754 CB ILE A 49 2.715 11.803 -4.199 1.00 0.49 C ATOM 755 CG1 ILE A 49 4.169 11.503 -3.824 1.00 0.61 C ATOM 756 CG2 ILE A 49 2.600 13.055 -5.068 1.00 0.56 C ATOM 757 CD1 ILE A 49 4.813 12.617 -3.017 1.00 0.76 C ATOM 0 H ILE A 49 2.421 9.912 -2.657 1.00 0.37 H new ATOM 0 HA ILE A 49 2.173 12.728 -2.366 1.00 0.41 H new ATOM 0 HB ILE A 49 2.362 10.962 -4.796 1.00 0.49 H new ATOM 0 HG12 ILE A 49 4.207 10.577 -3.251 1.00 0.61 H new ATOM 0 HG13 ILE A 49 4.747 11.339 -4.733 1.00 0.61 H new ATOM 0 HG21 ILE A 49 3.254 12.958 -5.935 1.00 0.56 H new ATOM 0 HG22 ILE A 49 1.569 13.172 -5.403 1.00 0.56 H new ATOM 0 HG23 ILE A 49 2.895 13.929 -4.487 1.00 0.56 H new ATOM 0 HD11 ILE A 49 5.842 12.347 -2.781 1.00 0.76 H new ATOM 0 HD12 ILE A 49 4.804 13.539 -3.598 1.00 0.76 H new ATOM 0 HD13 ILE A 49 4.256 12.765 -2.092 1.00 0.76 H new ATOM 769 N THR A 50 -0.409 11.194 -3.786 1.00 0.38 N ATOM 770 CA THR A 50 -1.821 11.374 -4.103 1.00 0.48 C ATOM 771 C THR A 50 -2.683 11.398 -2.831 1.00 0.41 C ATOM 772 O THR A 50 -3.087 12.464 -2.369 1.00 0.53 O ATOM 773 CB THR A 50 -2.287 10.325 -5.133 1.00 0.69 C ATOM 774 OG1 THR A 50 -1.682 9.060 -4.963 1.00 1.79 O ATOM 775 CG2 THR A 50 -1.899 10.767 -6.543 1.00 1.62 C ATOM 0 H THR A 50 -0.059 10.253 -3.965 1.00 0.38 H new ATOM 0 HA THR A 50 -1.951 12.350 -4.570 1.00 0.48 H new ATOM 0 HB THR A 50 -3.364 10.244 -4.986 1.00 0.69 H new ATOM 0 HG1 THR A 50 -1.450 8.933 -4.020 1.00 1.79 H new ATOM 0 HG21 THR A 50 -2.232 10.020 -7.263 1.00 1.62 H new ATOM 0 HG22 THR A 50 -2.371 11.723 -6.767 1.00 1.62 H new ATOM 0 HG23 THR A 50 -0.816 10.874 -6.606 1.00 1.62 H new ATOM 783 N ASN A 51 -3.013 10.238 -2.260 1.00 0.38 N ATOM 784 CA ASN A 51 -3.899 10.137 -1.115 1.00 0.43 C ATOM 785 C ASN A 51 -3.081 10.046 0.172 1.00 0.45 C ATOM 786 O ASN A 51 -2.385 9.062 0.403 1.00 0.93 O ATOM 787 CB ASN A 51 -4.755 8.871 -1.246 1.00 0.76 C ATOM 788 CG ASN A 51 -5.936 9.050 -2.189 1.00 1.89 C ATOM 789 OD1 ASN A 51 -5.842 9.719 -3.209 1.00 3.10 O ATOM 790 ND2 ASN A 51 -7.085 8.477 -1.855 1.00 2.49 N ATOM 0 H ASN A 51 -2.665 9.337 -2.588 1.00 0.38 H new ATOM 0 HA ASN A 51 -4.536 11.021 -1.080 1.00 0.43 H new ATOM 0 HB2 ASN A 51 -4.131 8.052 -1.604 1.00 0.76 H new ATOM 0 HB3 ASN A 51 -5.123 8.584 -0.261 1.00 0.76 H new ATOM 0 HD21 ASN A 51 -7.904 8.592 -2.452 1.00 2.49 H new ATOM 0 HD22 ASN A 51 -7.149 7.922 -1.002 1.00 2.49 H new ATOM 797 N LYS A 52 -3.269 10.997 1.090 1.00 0.53 N ATOM 798 CA LYS A 52 -2.717 10.914 2.446 1.00 0.58 C ATOM 799 C LYS A 52 -3.456 9.894 3.337 1.00 0.47 C ATOM 800 O LYS A 52 -3.276 9.896 4.553 1.00 0.56 O ATOM 801 CB LYS A 52 -2.735 12.318 3.091 1.00 0.85 C ATOM 802 CG LYS A 52 -1.340 12.948 3.182 1.00 1.69 C ATOM 803 CD LYS A 52 -0.856 13.561 1.863 1.00 2.34 C ATOM 804 CE LYS A 52 0.527 14.173 2.118 1.00 3.36 C ATOM 805 NZ LYS A 52 1.046 14.925 0.957 1.00 4.67 N ATOM 0 H LYS A 52 -3.807 11.846 0.915 1.00 0.53 H new ATOM 0 HA LYS A 52 -1.691 10.554 2.363 1.00 0.58 H new ATOM 0 HB2 LYS A 52 -3.386 12.971 2.510 1.00 0.85 H new ATOM 0 HB3 LYS A 52 -3.163 12.248 4.091 1.00 0.85 H new ATOM 0 HG2 LYS A 52 -1.349 13.721 3.950 1.00 1.69 H new ATOM 0 HG3 LYS A 52 -0.628 12.188 3.503 1.00 1.69 H new ATOM 0 HD2 LYS A 52 -0.801 12.800 1.084 1.00 2.34 H new ATOM 0 HD3 LYS A 52 -1.554 14.323 1.515 1.00 2.34 H new ATOM 0 HE2 LYS A 52 0.471 14.838 2.980 1.00 3.36 H new ATOM 0 HE3 LYS A 52 1.229 13.379 2.373 1.00 3.36 H new ATOM 0 HZ1 LYS A 52 1.942 15.386 1.214 1.00 4.67 H new ATOM 0 HZ2 LYS A 52 1.208 14.272 0.164 1.00 4.67 H new ATOM 0 HZ3 LYS A 52 0.354 15.648 0.674 1.00 4.67 H new ATOM 819 N LYS A 53 -4.306 9.026 2.781 1.00 0.44 N ATOM 820 CA LYS A 53 -5.202 8.173 3.548 1.00 0.39 C ATOM 821 C LYS A 53 -5.100 6.764 3.014 1.00 0.41 C ATOM 822 O LYS A 53 -4.629 6.536 1.896 1.00 0.51 O ATOM 823 CB LYS A 53 -6.650 8.675 3.454 1.00 0.46 C ATOM 824 CG LYS A 53 -6.715 10.125 3.938 1.00 0.59 C ATOM 825 CD LYS A 53 -8.132 10.687 4.017 1.00 1.11 C ATOM 826 CE LYS A 53 -8.645 10.926 2.599 1.00 1.60 C ATOM 827 NZ LYS A 53 -9.725 11.935 2.585 1.00 2.17 N ATOM 0 H LYS A 53 -4.388 8.899 1.772 1.00 0.44 H new ATOM 0 HA LYS A 53 -4.912 8.195 4.598 1.00 0.39 H new ATOM 0 HB2 LYS A 53 -7.005 8.607 2.426 1.00 0.46 H new ATOM 0 HB3 LYS A 53 -7.304 8.048 4.059 1.00 0.46 H new ATOM 0 HG2 LYS A 53 -6.253 10.190 4.923 1.00 0.59 H new ATOM 0 HG3 LYS A 53 -6.124 10.749 3.267 1.00 0.59 H new ATOM 0 HD2 LYS A 53 -8.786 9.991 4.543 1.00 1.11 H new ATOM 0 HD3 LYS A 53 -8.138 11.619 4.583 1.00 1.11 H new ATOM 0 HE2 LYS A 53 -7.824 11.259 1.964 1.00 1.60 H new ATOM 0 HE3 LYS A 53 -9.013 9.990 2.180 1.00 1.60 H new ATOM 0 HZ1 LYS A 53 -10.054 12.077 1.609 1.00 2.17 H new ATOM 0 HZ2 LYS A 53 -10.517 11.604 3.173 1.00 2.17 H new ATOM 0 HZ3 LYS A 53 -9.365 12.834 2.963 1.00 2.17 H new ATOM 841 N CYS A 54 -5.557 5.818 3.822 1.00 0.38 N ATOM 842 CA CYS A 54 -5.448 4.422 3.457 1.00 0.40 C ATOM 843 C CYS A 54 -6.405 4.198 2.284 1.00 0.45 C ATOM 844 O CYS A 54 -7.533 4.678 2.338 1.00 0.51 O ATOM 845 CB CYS A 54 -5.876 3.605 4.672 1.00 0.50 C ATOM 846 SG CYS A 54 -5.408 1.861 4.494 1.00 0.63 S ATOM 0 H CYS A 54 -6.001 5.993 4.723 1.00 0.38 H new ATOM 0 HA CYS A 54 -4.438 4.131 3.167 1.00 0.40 H new ATOM 0 HB2 CYS A 54 -5.416 4.017 5.570 1.00 0.50 H new ATOM 0 HB3 CYS A 54 -6.955 3.682 4.803 1.00 0.50 H new ATOM 851 N PRO A 55 -6.023 3.458 1.238 1.00 0.47 N ATOM 852 CA PRO A 55 -6.933 3.147 0.154 1.00 0.54 C ATOM 853 C PRO A 55 -7.984 2.127 0.607 1.00 0.58 C ATOM 854 O PRO A 55 -9.032 2.017 -0.020 1.00 0.68 O ATOM 855 CB PRO A 55 -6.031 2.577 -0.936 1.00 0.57 C ATOM 856 CG PRO A 55 -4.958 1.851 -0.151 1.00 0.57 C ATOM 857 CD PRO A 55 -4.771 2.744 1.073 1.00 0.46 C ATOM 0 HA PRO A 55 -7.495 4.015 -0.192 1.00 0.54 H new ATOM 0 HB2 PRO A 55 -6.574 1.901 -1.596 1.00 0.57 H new ATOM 0 HB3 PRO A 55 -5.610 3.363 -1.562 1.00 0.57 H new ATOM 0 HG2 PRO A 55 -5.271 0.845 0.127 1.00 0.57 H new ATOM 0 HG3 PRO A 55 -4.036 1.751 -0.723 1.00 0.57 H new ATOM 0 HD2 PRO A 55 -4.540 2.151 1.958 1.00 0.46 H new ATOM 0 HD3 PRO A 55 -3.942 3.437 0.928 1.00 0.46 H new ATOM 865 N ILE A 56 -7.700 1.361 1.669 1.00 0.56 N ATOM 866 CA ILE A 56 -8.597 0.332 2.172 1.00 0.59 C ATOM 867 C ILE A 56 -9.459 0.939 3.269 1.00 0.61 C ATOM 868 O ILE A 56 -10.642 1.194 3.067 1.00 0.72 O ATOM 869 CB ILE A 56 -7.801 -0.886 2.653 1.00 0.59 C ATOM 870 CG1 ILE A 56 -7.194 -1.572 1.421 1.00 0.68 C ATOM 871 CG2 ILE A 56 -8.697 -1.894 3.390 1.00 0.57 C ATOM 872 CD1 ILE A 56 -5.884 -2.239 1.809 1.00 0.77 C ATOM 0 H ILE A 56 -6.834 1.445 2.201 1.00 0.56 H new ATOM 0 HA ILE A 56 -9.253 -0.027 1.379 1.00 0.59 H new ATOM 0 HB ILE A 56 -7.030 -0.550 3.347 1.00 0.59 H new ATOM 0 HG12 ILE A 56 -7.888 -2.313 1.024 1.00 0.68 H new ATOM 0 HG13 ILE A 56 -7.023 -0.841 0.631 1.00 0.68 H new ATOM 0 HG21 ILE A 56 -8.097 -2.744 3.716 1.00 0.57 H new ATOM 0 HG22 ILE A 56 -9.147 -1.413 4.259 1.00 0.57 H new ATOM 0 HG23 ILE A 56 -9.483 -2.241 2.719 1.00 0.57 H new ATOM 0 HD11 ILE A 56 -5.451 -2.727 0.935 1.00 0.77 H new ATOM 0 HD12 ILE A 56 -5.190 -1.487 2.186 1.00 0.77 H new ATOM 0 HD13 ILE A 56 -6.070 -2.982 2.585 1.00 0.77 H new ATOM 884 N CYS A 57 -8.863 1.175 4.443 1.00 0.57 N ATOM 885 CA CYS A 57 -9.614 1.632 5.597 1.00 0.62 C ATOM 886 C CYS A 57 -10.083 3.086 5.408 1.00 0.51 C ATOM 887 O CYS A 57 -10.971 3.531 6.129 1.00 0.53 O ATOM 888 CB CYS A 57 -8.789 1.395 6.878 1.00 0.69 C ATOM 889 SG CYS A 57 -7.066 1.997 6.825 1.00 0.70 S ATOM 0 H CYS A 57 -7.864 1.055 4.610 1.00 0.57 H new ATOM 0 HA CYS A 57 -10.529 1.050 5.704 1.00 0.62 H new ATOM 0 HB2 CYS A 57 -9.299 1.877 7.712 1.00 0.69 H new ATOM 0 HB3 CYS A 57 -8.776 0.326 7.088 1.00 0.69 H new ATOM 894 N ARG A 58 -9.554 3.817 4.414 1.00 0.46 N ATOM 895 CA ARG A 58 -10.047 5.138 4.024 1.00 0.45 C ATOM 896 C ARG A 58 -9.903 6.148 5.160 1.00 0.44 C ATOM 897 O ARG A 58 -10.715 7.062 5.277 1.00 0.61 O ATOM 898 CB ARG A 58 -11.488 4.993 3.491 1.00 0.55 C ATOM 899 CG ARG A 58 -11.748 5.752 2.185 1.00 0.71 C ATOM 900 CD ARG A 58 -11.451 7.253 2.278 1.00 1.63 C ATOM 901 NE ARG A 58 -12.265 8.019 1.322 1.00 2.16 N ATOM 902 CZ ARG A 58 -13.508 8.456 1.571 1.00 2.86 C ATOM 903 NH1 ARG A 58 -14.083 8.214 2.750 1.00 4.00 N ATOM 904 NH2 ARG A 58 -14.176 9.137 0.639 1.00 3.27 N ATOM 0 H ARG A 58 -8.762 3.499 3.855 1.00 0.46 H new ATOM 0 HA ARG A 58 -9.438 5.545 3.217 1.00 0.45 H new ATOM 0 HB2 ARG A 58 -11.702 3.936 3.334 1.00 0.55 H new ATOM 0 HB3 ARG A 58 -12.183 5.349 4.251 1.00 0.55 H new ATOM 0 HG2 ARG A 58 -11.137 5.317 1.394 1.00 0.71 H new ATOM 0 HG3 ARG A 58 -12.790 5.613 1.895 1.00 0.71 H new ATOM 0 HD2 ARG A 58 -11.650 7.603 3.291 1.00 1.63 H new ATOM 0 HD3 ARG A 58 -10.393 7.429 2.082 1.00 1.63 H new ATOM 0 HE ARG A 58 -11.858 8.231 0.411 1.00 2.16 H new ATOM 0 HH11 ARG A 58 -13.577 7.694 3.467 1.00 4.00 H new ATOM 0 HH12 ARG A 58 -15.029 8.549 2.934 1.00 4.00 H new ATOM 0 HH21 ARG A 58 -13.741 9.326 -0.264 1.00 3.27 H new ATOM 0 HH22 ARG A 58 -15.121 9.469 0.829 1.00 3.27 H new ATOM 918 N VAL A 59 -8.822 6.054 5.937 1.00 0.37 N ATOM 919 CA VAL A 59 -8.531 7.020 6.982 1.00 0.39 C ATOM 920 C VAL A 59 -7.103 7.486 6.868 1.00 0.35 C ATOM 921 O VAL A 59 -6.234 6.756 6.403 1.00 0.33 O ATOM 922 CB VAL A 59 -8.753 6.443 8.377 1.00 0.44 C ATOM 923 CG1 VAL A 59 -10.018 5.606 8.408 1.00 0.48 C ATOM 924 CG2 VAL A 59 -7.586 5.601 8.900 1.00 0.45 C ATOM 0 H VAL A 59 -8.131 5.308 5.855 1.00 0.37 H new ATOM 0 HA VAL A 59 -9.217 7.856 6.846 1.00 0.39 H new ATOM 0 HB VAL A 59 -8.841 7.307 9.036 1.00 0.44 H new ATOM 0 HG11 VAL A 59 -10.162 5.202 9.410 1.00 0.48 H new ATOM 0 HG12 VAL A 59 -10.872 6.228 8.141 1.00 0.48 H new ATOM 0 HG13 VAL A 59 -9.929 4.786 7.695 1.00 0.48 H new ATOM 0 HG21 VAL A 59 -7.824 5.229 9.896 1.00 0.45 H new ATOM 0 HG22 VAL A 59 -7.415 4.759 8.229 1.00 0.45 H new ATOM 0 HG23 VAL A 59 -6.687 6.215 8.947 1.00 0.45 H new ATOM 934 N ASP A 60 -6.837 8.688 7.336 1.00 0.38 N ATOM 935 CA ASP A 60 -5.508 9.219 7.355 1.00 0.36 C ATOM 936 C ASP A 60 -4.733 8.406 8.370 1.00 0.37 C ATOM 937 O ASP A 60 -5.144 8.277 9.519 1.00 0.46 O ATOM 938 CB ASP A 60 -5.511 10.707 7.744 1.00 0.43 C ATOM 939 CG ASP A 60 -6.594 11.540 7.044 1.00 0.51 C ATOM 940 OD1 ASP A 60 -7.792 11.256 7.281 1.00 1.65 O ATOM 941 OD2 ASP A 60 -6.223 12.397 6.210 1.00 1.58 O ATOM 0 H ASP A 60 -7.545 9.319 7.713 1.00 0.38 H new ATOM 0 HA ASP A 60 -5.053 9.154 6.366 1.00 0.36 H new ATOM 0 HB2 ASP A 60 -5.647 10.788 8.822 1.00 0.43 H new ATOM 0 HB3 ASP A 60 -4.535 11.133 7.512 1.00 0.43 H new ATOM 946 N ILE A 61 -3.617 7.832 7.935 1.00 0.36 N ATOM 947 CA ILE A 61 -2.767 7.031 8.788 1.00 0.43 C ATOM 948 C ILE A 61 -2.317 7.813 10.034 1.00 0.47 C ATOM 949 O ILE A 61 -2.064 7.224 11.079 1.00 0.63 O ATOM 950 CB ILE A 61 -1.606 6.492 7.954 1.00 0.53 C ATOM 951 CG1 ILE A 61 -2.149 5.784 6.698 1.00 0.64 C ATOM 952 CG2 ILE A 61 -0.831 5.501 8.807 1.00 0.65 C ATOM 953 CD1 ILE A 61 -1.928 6.624 5.441 1.00 0.69 C ATOM 0 H ILE A 61 -3.281 7.914 6.975 1.00 0.36 H new ATOM 0 HA ILE A 61 -3.325 6.180 9.179 1.00 0.43 H new ATOM 0 HB ILE A 61 -0.957 7.309 7.640 1.00 0.53 H new ATOM 0 HG12 ILE A 61 -1.657 4.818 6.582 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.214 5.587 6.822 1.00 0.64 H new ATOM 0 HG21 ILE A 61 0.005 5.102 8.232 1.00 0.65 H new ATOM 0 HG22 ILE A 61 -0.452 6.005 9.696 1.00 0.65 H new ATOM 0 HG23 ILE A 61 -1.489 4.685 9.105 1.00 0.65 H new ATOM 0 HD11 ILE A 61 -2.323 6.094 4.575 1.00 0.69 H new ATOM 0 HD12 ILE A 61 -2.442 7.579 5.547 1.00 0.69 H new ATOM 0 HD13 ILE A 61 -0.861 6.799 5.303 1.00 0.69 H new ATOM 965 N GLU A 62 -2.230 9.139 9.901 1.00 0.47 N ATOM 966 CA GLU A 62 -1.998 10.096 10.979 1.00 0.59 C ATOM 967 C GLU A 62 -0.720 9.765 11.753 1.00 1.94 C ATOM 968 O GLU A 62 -0.705 9.616 12.972 1.00 3.22 O ATOM 969 CB GLU A 62 -3.256 10.248 11.854 1.00 2.08 C ATOM 970 CG GLU A 62 -3.352 11.689 12.366 1.00 2.88 C ATOM 971 CD GLU A 62 -4.572 11.901 13.265 1.00 4.45 C ATOM 972 OE1 GLU A 62 -5.637 12.253 12.712 1.00 5.96 O ATOM 973 OE2 GLU A 62 -4.419 11.738 14.496 1.00 4.73 O ATOM 0 H GLU A 62 -2.324 9.594 8.993 1.00 0.47 H new ATOM 0 HA GLU A 62 -1.818 11.082 10.551 1.00 0.59 H new ATOM 0 HB2 GLU A 62 -4.146 9.996 11.277 1.00 2.08 H new ATOM 0 HB3 GLU A 62 -3.214 9.555 12.694 1.00 2.08 H new ATOM 0 HG2 GLU A 62 -2.447 11.937 12.920 1.00 2.88 H new ATOM 0 HG3 GLU A 62 -3.404 12.372 11.518 1.00 2.88 H new ATOM 980 N ALA A 63 0.383 9.682 11.012 1.00 2.94 N ATOM 981 CA ALA A 63 1.697 9.396 11.570 1.00 4.50 C ATOM 982 C ALA A 63 2.768 10.187 10.824 1.00 4.37 C ATOM 983 O ALA A 63 2.524 10.655 9.713 1.00 3.88 O ATOM 984 CB ALA A 63 1.973 7.890 11.475 1.00 6.14 C ATOM 0 H ALA A 63 0.387 9.813 10.000 1.00 2.94 H new ATOM 0 HA ALA A 63 1.720 9.696 12.618 1.00 4.50 H new ATOM 0 HB1 ALA A 63 2.956 7.673 11.892 1.00 6.14 H new ATOM 0 HB2 ALA A 63 1.213 7.345 12.035 1.00 6.14 H new ATOM 0 HB3 ALA A 63 1.946 7.580 10.430 1.00 6.14 H new ATOM 990 N GLN A 64 3.962 10.275 11.427 1.00 5.32 N ATOM 991 CA GLN A 64 5.107 11.037 10.934 1.00 5.52 C ATOM 992 C GLN A 64 4.789 12.533 10.797 1.00 4.46 C ATOM 993 O GLN A 64 3.723 13.004 11.186 1.00 4.43 O ATOM 994 CB GLN A 64 5.677 10.381 9.659 1.00 6.80 C ATOM 995 CG GLN A 64 6.427 9.092 10.021 1.00 8.51 C ATOM 996 CD GLN A 64 6.718 8.237 8.791 1.00 9.90 C ATOM 997 OE1 GLN A 64 5.862 7.496 8.325 1.00 10.25 O ATOM 998 NE2 GLN A 64 7.928 8.301 8.249 1.00 11.16 N ATOM 0 H GLN A 64 4.159 9.797 12.306 1.00 5.32 H new ATOM 0 HA GLN A 64 5.905 11.002 11.676 1.00 5.52 H new ATOM 0 HB2 GLN A 64 4.869 10.158 8.963 1.00 6.80 H new ATOM 0 HB3 GLN A 64 6.350 11.073 9.154 1.00 6.80 H new ATOM 0 HG2 GLN A 64 7.364 9.345 10.517 1.00 8.51 H new ATOM 0 HG3 GLN A 64 5.835 8.515 10.732 1.00 8.51 H new ATOM 0 HE21 GLN A 64 8.633 8.922 8.646 1.00 11.16 H new ATOM 0 HE22 GLN A 64 8.153 7.729 7.435 1.00 11.16 H new ATOM 1007 N LEU A 65 5.775 13.304 10.333 1.00 4.50 N ATOM 1008 CA LEU A 65 5.604 14.724 10.057 1.00 4.25 C ATOM 1009 C LEU A 65 4.604 14.898 8.906 1.00 4.10 C ATOM 1010 O LEU A 65 4.481 14.002 8.072 1.00 4.45 O ATOM 1011 CB LEU A 65 6.963 15.372 9.743 1.00 5.00 C ATOM 1012 CG LEU A 65 7.742 14.678 8.610 1.00 5.83 C ATOM 1013 CD1 LEU A 65 8.240 15.707 7.602 1.00 6.54 C ATOM 1014 CD2 LEU A 65 8.953 13.921 9.166 1.00 7.35 C ATOM 0 H LEU A 65 6.714 12.957 10.139 1.00 4.50 H new ATOM 0 HA LEU A 65 5.203 15.230 10.935 1.00 4.25 H new ATOM 0 HB2 LEU A 65 6.802 16.416 9.473 1.00 5.00 H new ATOM 0 HB3 LEU A 65 7.574 15.367 10.646 1.00 5.00 H new ATOM 0 HG LEU A 65 7.063 13.976 8.125 1.00 5.83 H new ATOM 0 HD11 LEU A 65 8.789 15.202 6.807 1.00 6.54 H new ATOM 0 HD12 LEU A 65 7.390 16.239 7.175 1.00 6.54 H new ATOM 0 HD13 LEU A 65 8.898 16.417 8.102 1.00 6.54 H new ATOM 0 HD21 LEU A 65 9.488 13.439 8.348 1.00 7.35 H new ATOM 0 HD22 LEU A 65 9.618 14.620 9.672 1.00 7.35 H new ATOM 0 HD23 LEU A 65 8.615 13.164 9.874 1.00 7.35 H new ATOM 1026 N PRO A 66 3.882 16.029 8.842 1.00 5.02 N ATOM 1027 CA PRO A 66 2.781 16.234 7.908 1.00 6.28 C ATOM 1028 C PRO A 66 3.277 16.614 6.511 1.00 6.34 C ATOM 1029 O PRO A 66 2.981 17.700 6.019 1.00 6.93 O ATOM 1030 CB PRO A 66 1.942 17.343 8.558 1.00 7.98 C ATOM 1031 CG PRO A 66 3.001 18.196 9.255 1.00 7.77 C ATOM 1032 CD PRO A 66 3.963 17.134 9.785 1.00 6.10 C ATOM 0 HA PRO A 66 2.199 15.327 7.743 1.00 6.28 H new ATOM 0 HB2 PRO A 66 1.383 17.915 7.818 1.00 7.98 H new ATOM 0 HB3 PRO A 66 1.216 16.941 9.264 1.00 7.98 H new ATOM 0 HG2 PRO A 66 3.491 18.883 8.565 1.00 7.77 H new ATOM 0 HG3 PRO A 66 2.576 18.799 10.057 1.00 7.77 H new ATOM 0 HD2 PRO A 66 4.980 17.522 9.848 1.00 6.10 H new ATOM 0 HD3 PRO A 66 3.681 16.815 10.788 1.00 6.10 H new ATOM 1040 N SER A 67 3.961 15.684 5.836 1.00 6.28 N ATOM 1041 CA SER A 67 4.524 15.875 4.507 1.00 6.70 C ATOM 1042 C SER A 67 5.743 16.800 4.591 1.00 6.63 C ATOM 1043 O SER A 67 5.887 17.577 5.531 1.00 6.99 O ATOM 1044 CB SER A 67 3.423 16.396 3.568 1.00 8.15 C ATOM 1045 OG SER A 67 3.604 15.995 2.217 1.00 9.12 O ATOM 0 H SER A 67 4.140 14.754 6.215 1.00 6.28 H new ATOM 0 HA SER A 67 4.881 14.932 4.092 1.00 6.70 H new ATOM 0 HB2 SER A 67 2.455 16.039 3.920 1.00 8.15 H new ATOM 0 HB3 SER A 67 3.398 17.485 3.617 1.00 8.15 H new ATOM 0 HG SER A 67 3.634 15.017 2.167 1.00 9.12 H new ATOM 1051 N GLU A 68 6.639 16.725 3.608 1.00 6.72 N ATOM 1052 CA GLU A 68 7.746 17.662 3.487 1.00 7.22 C ATOM 1053 C GLU A 68 7.986 17.901 1.997 1.00 7.60 C ATOM 1054 O GLU A 68 7.223 17.386 1.173 1.00 7.78 O ATOM 1055 CB GLU A 68 8.987 17.129 4.227 1.00 7.45 C ATOM 1056 CG GLU A 68 9.645 18.250 5.046 1.00 8.40 C ATOM 1057 CD GLU A 68 10.749 17.731 5.974 1.00 9.01 C ATOM 1058 OE1 GLU A 68 11.653 17.031 5.468 1.00 9.08 O ATOM 1059 OE2 GLU A 68 10.683 18.053 7.182 1.00 9.86 O ATOM 0 H GLU A 68 6.615 16.014 2.877 1.00 6.72 H new ATOM 0 HA GLU A 68 7.514 18.617 3.958 1.00 7.22 H new ATOM 0 HB2 GLU A 68 8.701 16.309 4.885 1.00 7.45 H new ATOM 0 HB3 GLU A 68 9.702 16.727 3.509 1.00 7.45 H new ATOM 0 HG2 GLU A 68 10.065 18.992 4.367 1.00 8.40 H new ATOM 0 HG3 GLU A 68 8.884 18.756 5.640 1.00 8.40 H new ATOM 1066 N SER A 69 8.987 18.714 1.665 1.00 8.17 N ATOM 1067 CA SER A 69 9.343 19.035 0.291 1.00 8.83 C ATOM 1068 C SER A 69 10.246 17.963 -0.307 1.00 8.73 C ATOM 1069 O SER A 69 10.803 17.168 0.479 1.00 8.51 O ATOM 1070 CB SER A 69 10.076 20.372 0.264 1.00 9.39 C ATOM 1071 OG SER A 69 9.318 21.354 0.949 1.00 10.10 O ATOM 1072 OXT SER A 69 10.410 18.011 -1.544 1.00 9.26 O ATOM 0 H SER A 69 9.580 19.173 2.356 1.00 8.17 H new ATOM 0 HA SER A 69 8.428 19.087 -0.299 1.00 8.83 H new ATOM 0 HB2 SER A 69 11.056 20.268 0.729 1.00 9.39 H new ATOM 0 HB3 SER A 69 10.243 20.684 -0.767 1.00 9.39 H new ATOM 0 HG SER A 69 9.796 22.209 0.929 1.00 10.10 H new TER 1078 SER A 69 HETATM 1079 ZN ZN A 70 1.709 -1.454 -6.465 1.00 0.45 ZN HETATM 1080 ZN ZN A 71 -5.221 0.913 6.375 1.00 0.53 ZN