USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 403 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 Single : A 1 SER N :NH3+ 145:sc= 0.0369 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.678 K(o=-0.68,f=-0.13) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0665 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -4.09! C(o=-4.1!,f=-5.3!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 26 ASN : amide:sc= -4.11! C(o=-4.1!,f=-3.8!) USER MOD Single : A 27 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 36 GLN : amide:sc= -6.09! C(o=-6.1!,f=-2.3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.67) USER MOD Single : A 41 THR OG1 : rot 80:sc= -0.0332 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.597 10.180 12.275 1.00 0.00 N ATOM 2 CA SER A 1 8.455 10.551 10.871 1.00 0.00 C ATOM 3 C SER A 1 9.806 10.525 10.163 1.00 0.00 C ATOM 4 O SER A 1 10.385 11.571 9.870 1.00 0.00 O ATOM 5 CB SER A 1 7.830 11.941 10.750 1.00 0.00 C ATOM 6 OG SER A 1 6.629 12.027 11.498 1.00 0.00 O ATOM 0 H1 SER A 1 7.921 10.724 12.848 1.00 0.00 H new ATOM 0 H2 SER A 1 8.406 9.164 12.387 1.00 0.00 H new ATOM 0 H3 SER A 1 9.565 10.387 12.593 1.00 0.00 H new ATOM 0 HA SER A 1 7.800 9.823 10.393 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.536 12.693 11.102 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.626 12.162 9.702 1.00 0.00 H new ATOM 0 HG SER A 1 6.250 12.926 11.406 1.00 0.00 H new ATOM 12 N ASP A 2 10.304 9.323 9.894 1.00 0.00 N ATOM 13 CA ASP A 2 11.586 9.159 9.219 1.00 0.00 C ATOM 14 C ASP A 2 11.407 8.472 7.870 1.00 0.00 C ATOM 15 O ASP A 2 12.378 8.221 7.157 1.00 0.00 O ATOM 16 CB ASP A 2 12.546 8.352 10.095 1.00 0.00 C ATOM 17 CG ASP A 2 13.372 9.231 11.012 1.00 0.00 C ATOM 18 OD1 ASP A 2 13.358 8.990 12.238 1.00 0.00 O ATOM 19 OD2 ASP A 2 14.035 10.160 10.505 1.00 0.00 O ATOM 0 H ASP A 2 9.839 8.447 10.133 1.00 0.00 H new ATOM 0 HA ASP A 2 12.008 10.149 9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.976 7.642 10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 2 13.212 7.770 9.458 1.00 0.00 H new ATOM 24 N ARG A 3 10.159 8.169 7.527 1.00 0.00 N ATOM 25 CA ARG A 3 9.852 7.508 6.264 1.00 0.00 C ATOM 26 C ARG A 3 10.075 6.002 6.370 1.00 0.00 C ATOM 27 O ARG A 3 11.050 5.468 5.840 1.00 0.00 O ATOM 28 CB ARG A 3 10.717 8.084 5.141 1.00 0.00 C ATOM 29 CG ARG A 3 10.930 9.585 5.244 1.00 0.00 C ATOM 30 CD ARG A 3 10.552 10.292 3.952 1.00 0.00 C ATOM 31 NE ARG A 3 11.223 11.581 3.817 1.00 0.00 N ATOM 32 CZ ARG A 3 10.950 12.636 4.578 1.00 0.00 C ATOM 33 NH1 ARG A 3 10.024 12.553 5.523 1.00 0.00 N ATOM 34 NH2 ARG A 3 11.604 13.776 4.395 1.00 0.00 N ATOM 0 H ARG A 3 9.344 8.371 8.106 1.00 0.00 H new ATOM 0 HA ARG A 3 8.802 7.687 6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.687 7.587 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 3 10.251 7.857 4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 3 10.334 9.983 6.065 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.974 9.790 5.480 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.810 9.658 3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.473 10.440 3.922 1.00 0.00 H new ATOM 0 HE ARG A 3 11.941 11.678 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.519 11.678 5.667 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.816 13.364 6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 3 12.318 13.844 3.669 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.393 14.585 4.980 1.00 0.00 H new ATOM 48 N THR A 4 9.165 5.321 7.061 1.00 0.00 N ATOM 49 CA THR A 4 9.262 3.878 7.238 1.00 0.00 C ATOM 50 C THR A 4 7.976 3.184 6.806 1.00 0.00 C ATOM 51 O THR A 4 6.881 3.719 6.976 1.00 0.00 O ATOM 52 CB THR A 4 9.561 3.512 8.704 1.00 0.00 C ATOM 53 OG1 THR A 4 9.855 4.696 9.455 1.00 0.00 O ATOM 54 CG2 THR A 4 10.735 2.547 8.791 1.00 0.00 C ATOM 0 H THR A 4 8.352 5.747 7.507 1.00 0.00 H new ATOM 0 HA THR A 4 10.085 3.537 6.610 1.00 0.00 H new ATOM 0 HB THR A 4 8.679 3.027 9.122 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.042 4.455 10.386 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.928 2.302 9.835 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.498 1.635 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.621 3.011 8.357 1.00 0.00 H new ATOM 62 N CYS A 5 8.116 1.987 6.245 1.00 0.00 N ATOM 63 CA CYS A 5 6.966 1.217 5.787 1.00 0.00 C ATOM 64 C CYS A 5 5.893 1.144 6.871 1.00 0.00 C ATOM 65 O CYS A 5 6.197 0.934 8.045 1.00 0.00 O ATOM 66 CB CYS A 5 7.397 -0.195 5.385 1.00 0.00 C ATOM 67 SG CYS A 5 6.127 -1.129 4.472 1.00 0.00 S ATOM 0 H CYS A 5 9.015 1.529 6.097 1.00 0.00 H new ATOM 0 HA CYS A 5 6.546 1.722 4.917 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.295 -0.128 4.771 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.666 -0.751 6.283 1.00 0.00 H new ATOM 72 N ALA A 6 4.640 1.319 6.468 1.00 0.00 N ATOM 73 CA ALA A 6 3.522 1.271 7.403 1.00 0.00 C ATOM 74 C ALA A 6 2.992 -0.151 7.553 1.00 0.00 C ATOM 75 O ALA A 6 1.853 -0.358 7.970 1.00 0.00 O ATOM 76 CB ALA A 6 2.412 2.205 6.947 1.00 0.00 C ATOM 0 H ALA A 6 4.372 1.495 5.500 1.00 0.00 H new ATOM 0 HA ALA A 6 3.881 1.601 8.378 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.584 2.159 7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.792 3.226 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 6 2.063 1.901 5.960 1.00 0.00 H new ATOM 82 N ARG A 7 3.826 -1.128 7.209 1.00 0.00 N ATOM 83 CA ARG A 7 3.440 -2.530 7.303 1.00 0.00 C ATOM 84 C ARG A 7 4.545 -3.355 7.957 1.00 0.00 C ATOM 85 O ARG A 7 4.290 -4.137 8.875 1.00 0.00 O ATOM 86 CB ARG A 7 3.126 -3.089 5.915 1.00 0.00 C ATOM 87 CG ARG A 7 2.339 -2.129 5.036 1.00 0.00 C ATOM 88 CD ARG A 7 0.940 -1.892 5.582 1.00 0.00 C ATOM 89 NE ARG A 7 0.444 -0.558 5.255 1.00 0.00 N ATOM 90 CZ ARG A 7 -0.500 0.066 5.952 1.00 0.00 C ATOM 91 NH1 ARG A 7 -1.045 -0.521 7.010 1.00 0.00 N ATOM 92 NH2 ARG A 7 -0.899 1.279 5.592 1.00 0.00 N ATOM 0 H ARG A 7 4.773 -0.973 6.863 1.00 0.00 H new ATOM 0 HA ARG A 7 2.546 -2.594 7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.061 -3.343 5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.561 -4.015 6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.869 -1.179 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.273 -2.531 4.025 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.260 -2.641 5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.946 -2.021 6.664 1.00 0.00 H new ATOM 0 HE ARG A 7 0.844 -0.079 4.448 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.740 -1.453 7.290 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.769 -0.040 7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.481 1.733 4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.624 1.757 6.127 1.00 0.00 H new ATOM 106 N CYS A 8 5.771 -3.177 7.478 1.00 0.00 N ATOM 107 CA CYS A 8 6.915 -3.905 8.014 1.00 0.00 C ATOM 108 C CYS A 8 7.770 -3.001 8.897 1.00 0.00 C ATOM 109 O CYS A 8 8.508 -3.478 9.760 1.00 0.00 O ATOM 110 CB CYS A 8 7.763 -4.474 6.876 1.00 0.00 C ATOM 111 SG CYS A 8 8.346 -3.223 5.687 1.00 0.00 S ATOM 0 H CYS A 8 5.998 -2.534 6.719 1.00 0.00 H new ATOM 0 HA CYS A 8 6.538 -4.727 8.623 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.626 -4.986 7.301 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.179 -5.224 6.342 1.00 0.00 H new ATOM 116 N GLN A 9 7.664 -1.695 8.676 1.00 0.00 N ATOM 117 CA GLN A 9 8.427 -0.725 9.451 1.00 0.00 C ATOM 118 C GLN A 9 9.891 -0.713 9.019 1.00 0.00 C ATOM 119 O GLN A 9 10.793 -0.729 9.856 1.00 0.00 O ATOM 120 CB GLN A 9 8.326 -1.040 10.944 1.00 0.00 C ATOM 121 CG GLN A 9 7.975 0.167 11.799 1.00 0.00 C ATOM 122 CD GLN A 9 9.193 0.802 12.441 1.00 0.00 C ATOM 123 OE1 GLN A 9 9.727 0.290 13.426 1.00 0.00 O ATOM 124 NE2 GLN A 9 9.639 1.923 11.886 1.00 0.00 N ATOM 0 H GLN A 9 7.057 -1.284 7.966 1.00 0.00 H new ATOM 0 HA GLN A 9 8.005 0.263 9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.571 -1.812 11.093 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.276 -1.452 11.285 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.466 0.908 11.183 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.275 -0.135 12.578 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.165 2.312 11.071 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.455 2.395 12.275 1.00 0.00 H new ATOM 133 N GLU A 10 10.116 -0.687 7.709 1.00 0.00 N ATOM 134 CA GLU A 10 11.470 -0.675 7.169 1.00 0.00 C ATOM 135 C GLU A 10 11.822 0.703 6.615 1.00 0.00 C ATOM 136 O GLU A 10 10.942 1.477 6.240 1.00 0.00 O ATOM 137 CB GLU A 10 11.614 -1.729 6.070 1.00 0.00 C ATOM 138 CG GLU A 10 12.291 -3.007 6.536 1.00 0.00 C ATOM 139 CD GLU A 10 13.720 -3.123 6.043 1.00 0.00 C ATOM 140 OE1 GLU A 10 14.026 -2.554 4.974 1.00 0.00 O ATOM 141 OE2 GLU A 10 14.533 -3.782 6.724 1.00 0.00 O ATOM 0 H GLU A 10 9.379 -0.674 7.004 1.00 0.00 H new ATOM 0 HA GLU A 10 12.159 -0.909 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.626 -1.973 5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.186 -1.305 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.282 -3.042 7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.719 -3.866 6.185 1.00 0.00 H new ATOM 148 N SER A 11 13.117 1.002 6.569 1.00 0.00 N ATOM 149 CA SER A 11 13.587 2.288 6.066 1.00 0.00 C ATOM 150 C SER A 11 13.256 2.446 4.586 1.00 0.00 C ATOM 151 O SER A 11 13.367 1.497 3.808 1.00 0.00 O ATOM 152 CB SER A 11 15.096 2.423 6.280 1.00 0.00 C ATOM 153 OG SER A 11 15.580 3.640 5.741 1.00 0.00 O ATOM 0 H SER A 11 13.859 0.372 6.874 1.00 0.00 H new ATOM 0 HA SER A 11 13.077 3.075 6.621 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.321 2.379 7.346 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.610 1.584 5.811 1.00 0.00 H new ATOM 0 HG SER A 11 16.546 3.703 5.892 1.00 0.00 H new ATOM 159 N LEU A 12 12.849 3.651 4.202 1.00 0.00 N ATOM 160 CA LEU A 12 12.502 3.935 2.814 1.00 0.00 C ATOM 161 C LEU A 12 13.644 4.653 2.102 1.00 0.00 C ATOM 162 O LEU A 12 13.500 5.090 0.961 1.00 0.00 O ATOM 163 CB LEU A 12 11.232 4.786 2.750 1.00 0.00 C ATOM 164 CG LEU A 12 9.912 4.038 2.939 1.00 0.00 C ATOM 165 CD1 LEU A 12 9.399 3.515 1.605 1.00 0.00 C ATOM 166 CD2 LEU A 12 10.083 2.896 3.930 1.00 0.00 C ATOM 0 H LEU A 12 12.751 4.447 4.832 1.00 0.00 H new ATOM 0 HA LEU A 12 12.323 2.986 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.300 5.561 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.205 5.291 1.784 1.00 0.00 H new ATOM 0 HG LEU A 12 9.176 4.735 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.459 2.985 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.237 4.351 0.924 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.133 2.834 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.133 2.375 4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.834 2.200 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.405 3.294 4.892 1.00 0.00 H new ATOM 178 N GLY A 13 14.780 4.767 2.784 1.00 0.00 N ATOM 179 CA GLY A 13 15.931 5.430 2.200 1.00 0.00 C ATOM 180 C GLY A 13 16.036 5.202 0.705 1.00 0.00 C ATOM 181 O GLY A 13 15.492 5.973 -0.086 1.00 0.00 O ATOM 0 H GLY A 13 14.923 4.412 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 13 15.869 6.500 2.397 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.838 5.069 2.684 1.00 0.00 H new ATOM 185 N ARG A 14 16.737 4.143 0.317 1.00 0.00 N ATOM 186 CA ARG A 14 16.912 3.818 -1.094 1.00 0.00 C ATOM 187 C ARG A 14 15.645 3.191 -1.669 1.00 0.00 C ATOM 188 O ARG A 14 15.696 2.139 -2.309 1.00 0.00 O ATOM 189 CB ARG A 14 18.094 2.864 -1.276 1.00 0.00 C ATOM 190 CG ARG A 14 18.560 2.739 -2.717 1.00 0.00 C ATOM 191 CD ARG A 14 20.046 2.426 -2.797 1.00 0.00 C ATOM 192 NE ARG A 14 20.316 1.274 -3.655 1.00 0.00 N ATOM 193 CZ ARG A 14 21.523 0.742 -3.814 1.00 0.00 C ATOM 194 NH1 ARG A 14 22.565 1.254 -3.173 1.00 0.00 N ATOM 195 NH2 ARG A 14 21.689 -0.305 -4.611 1.00 0.00 N ATOM 0 H ARG A 14 17.193 3.495 0.959 1.00 0.00 H new ATOM 0 HA ARG A 14 17.115 4.744 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 14 18.926 3.209 -0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 14 17.814 1.877 -0.907 1.00 0.00 H new ATOM 0 HG2 ARG A 14 17.994 1.953 -3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 14 18.354 3.668 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 14 20.580 3.296 -3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 14 20.430 2.231 -1.796 1.00 0.00 H new ATOM 0 HE ARG A 14 19.535 0.855 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.440 2.057 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.491 0.844 -3.296 1.00 0.00 H new ATOM 0 HH21 ARG A 14 20.889 -0.703 -5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.616 -0.712 -4.732 1.00 0.00 H new ATOM 209 N LEU A 15 14.511 3.843 -1.437 1.00 0.00 N ATOM 210 CA LEU A 15 13.231 3.349 -1.932 1.00 0.00 C ATOM 211 C LEU A 15 12.353 4.499 -2.416 1.00 0.00 C ATOM 212 O LEU A 15 11.161 4.322 -2.664 1.00 0.00 O ATOM 213 CB LEU A 15 12.506 2.566 -0.835 1.00 0.00 C ATOM 214 CG LEU A 15 12.222 1.094 -1.137 1.00 0.00 C ATOM 215 CD1 LEU A 15 11.401 0.468 -0.020 1.00 0.00 C ATOM 216 CD2 LEU A 15 11.505 0.952 -2.472 1.00 0.00 C ATOM 0 H LEU A 15 14.452 4.714 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 15 13.427 2.686 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.101 2.621 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.558 3.063 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 15 13.174 0.566 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.209 -0.579 -0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.951 0.536 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.453 0.998 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.311 -0.102 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.560 1.495 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.130 1.362 -3.266 1.00 0.00 H new ATOM 228 N SER A 16 12.954 5.678 -2.549 1.00 0.00 N ATOM 229 CA SER A 16 12.228 6.858 -3.002 1.00 0.00 C ATOM 230 C SER A 16 10.855 6.938 -2.341 1.00 0.00 C ATOM 231 O SER A 16 9.835 6.569 -2.923 1.00 0.00 O ATOM 232 CB SER A 16 12.074 6.836 -4.524 1.00 0.00 C ATOM 233 OG SER A 16 12.959 7.754 -5.140 1.00 0.00 O ATOM 0 H SER A 16 13.941 5.841 -2.349 1.00 0.00 H new ATOM 0 HA SER A 16 12.802 7.739 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.270 5.831 -4.898 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.046 7.081 -4.792 1.00 0.00 H new ATOM 0 HG SER A 16 12.842 7.719 -6.112 1.00 0.00 H new ATOM 239 N PRO A 17 10.827 7.432 -1.094 1.00 0.00 N ATOM 240 CA PRO A 17 9.586 7.573 -0.326 1.00 0.00 C ATOM 241 C PRO A 17 8.680 8.665 -0.884 1.00 0.00 C ATOM 242 O PRO A 17 8.448 9.685 -0.236 1.00 0.00 O ATOM 243 CB PRO A 17 10.077 7.948 1.074 1.00 0.00 C ATOM 244 CG PRO A 17 11.404 8.587 0.852 1.00 0.00 C ATOM 245 CD PRO A 17 12.004 7.891 -0.339 1.00 0.00 C ATOM 0 HA PRO A 17 8.984 6.665 -0.352 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.386 8.632 1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.163 7.068 1.712 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.296 9.656 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.041 8.478 1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.622 8.567 -0.930 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.639 7.058 -0.039 1.00 0.00 H new ATOM 253 N LYS A 18 8.168 8.444 -2.091 1.00 0.00 N ATOM 254 CA LYS A 18 7.286 9.408 -2.736 1.00 0.00 C ATOM 255 C LYS A 18 6.135 8.702 -3.447 1.00 0.00 C ATOM 256 O LYS A 18 4.968 9.042 -3.251 1.00 0.00 O ATOM 257 CB LYS A 18 8.071 10.260 -3.737 1.00 0.00 C ATOM 258 CG LYS A 18 7.196 11.182 -4.569 1.00 0.00 C ATOM 259 CD LYS A 18 7.820 12.560 -4.716 1.00 0.00 C ATOM 260 CE LYS A 18 6.768 13.620 -5.000 1.00 0.00 C ATOM 261 NZ LYS A 18 6.611 14.566 -3.859 1.00 0.00 N ATOM 0 H LYS A 18 8.350 7.605 -2.642 1.00 0.00 H new ATOM 0 HA LYS A 18 6.871 10.056 -1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.804 10.859 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.628 9.602 -4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.040 10.745 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.215 11.274 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.359 12.816 -3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.551 12.545 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.044 14.175 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.813 13.137 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.885 15.273 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.322 14.040 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.516 15.046 -3.679 1.00 0.00 H new ATOM 275 N THR A 19 6.472 7.716 -4.272 1.00 0.00 N ATOM 276 CA THR A 19 5.467 6.962 -5.011 1.00 0.00 C ATOM 277 C THR A 19 5.112 5.666 -4.291 1.00 0.00 C ATOM 278 O THR A 19 4.293 4.883 -4.770 1.00 0.00 O ATOM 279 CB THR A 19 5.951 6.627 -6.435 1.00 0.00 C ATOM 280 OG1 THR A 19 6.398 5.268 -6.495 1.00 0.00 O ATOM 281 CG2 THR A 19 7.080 7.556 -6.855 1.00 0.00 C ATOM 0 H THR A 19 7.433 7.421 -4.445 1.00 0.00 H new ATOM 0 HA THR A 19 4.581 7.594 -5.074 1.00 0.00 H new ATOM 0 HB THR A 19 5.114 6.764 -7.120 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.702 5.063 -7.404 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.405 7.301 -7.863 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.728 8.587 -6.838 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.917 7.447 -6.165 1.00 0.00 H new ATOM 289 N ASN A 20 5.733 5.447 -3.136 1.00 0.00 N ATOM 290 CA ASN A 20 5.481 4.246 -2.349 1.00 0.00 C ATOM 291 C ASN A 20 4.464 4.521 -1.245 1.00 0.00 C ATOM 292 O ASN A 20 4.500 3.901 -0.183 1.00 0.00 O ATOM 293 CB ASN A 20 6.785 3.729 -1.738 1.00 0.00 C ATOM 294 CG ASN A 20 7.652 3.007 -2.751 1.00 0.00 C ATOM 295 OD1 ASN A 20 7.150 2.428 -3.714 1.00 0.00 O ATOM 296 ND2 ASN A 20 8.963 3.039 -2.537 1.00 0.00 N ATOM 0 H ASN A 20 6.414 6.086 -2.725 1.00 0.00 H new ATOM 0 HA ASN A 20 5.072 3.486 -3.014 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.343 4.566 -1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.554 3.053 -0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.597 2.571 -3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.335 3.531 -1.725 1.00 0.00 H new ATOM 303 N THR A 21 3.556 5.457 -1.506 1.00 0.00 N ATOM 304 CA THR A 21 2.529 5.816 -0.536 1.00 0.00 C ATOM 305 C THR A 21 1.159 5.307 -0.972 1.00 0.00 C ATOM 306 O THR A 21 0.603 5.769 -1.968 1.00 0.00 O ATOM 307 CB THR A 21 2.456 7.340 -0.333 1.00 0.00 C ATOM 308 OG1 THR A 21 3.761 7.860 -0.050 1.00 0.00 O ATOM 309 CG2 THR A 21 1.508 7.691 0.804 1.00 0.00 C ATOM 0 H THR A 21 3.511 5.980 -2.381 1.00 0.00 H new ATOM 0 HA THR A 21 2.806 5.344 0.407 1.00 0.00 H new ATOM 0 HB THR A 21 2.077 7.788 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.706 8.830 0.076 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.473 8.773 0.928 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.509 7.320 0.573 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.861 7.231 1.727 1.00 0.00 H new ATOM 317 N CYS A 22 0.620 4.353 -0.220 1.00 0.00 N ATOM 318 CA CYS A 22 -0.685 3.781 -0.528 1.00 0.00 C ATOM 319 C CYS A 22 -1.734 4.877 -0.691 1.00 0.00 C ATOM 320 O CYS A 22 -1.870 5.752 0.164 1.00 0.00 O ATOM 321 CB CYS A 22 -1.112 2.810 0.573 1.00 0.00 C ATOM 322 SG CYS A 22 -2.645 1.897 0.206 1.00 0.00 S ATOM 0 H CYS A 22 1.068 3.960 0.608 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.603 3.238 -1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.308 2.094 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.246 3.366 1.501 1.00 0.00 H new ATOM 327 N ARG A 23 -2.473 4.822 -1.794 1.00 0.00 N ATOM 328 CA ARG A 23 -3.509 5.809 -2.071 1.00 0.00 C ATOM 329 C ARG A 23 -4.781 5.497 -1.287 1.00 0.00 C ATOM 330 O ARG A 23 -5.688 6.322 -1.202 1.00 0.00 O ATOM 331 CB ARG A 23 -3.818 5.851 -3.568 1.00 0.00 C ATOM 332 CG ARG A 23 -2.733 5.227 -4.431 1.00 0.00 C ATOM 333 CD ARG A 23 -2.578 5.965 -5.751 1.00 0.00 C ATOM 334 NE ARG A 23 -3.802 6.664 -6.135 1.00 0.00 N ATOM 335 CZ ARG A 23 -4.895 6.047 -6.571 1.00 0.00 C ATOM 336 NH1 ARG A 23 -4.917 4.726 -6.678 1.00 0.00 N ATOM 337 NH2 ARG A 23 -5.969 6.752 -6.901 1.00 0.00 N ATOM 0 H ARG A 23 -2.373 4.103 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.138 6.785 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.759 5.332 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.961 6.888 -3.872 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.786 5.240 -3.892 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.976 4.182 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.761 6.682 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.305 5.256 -6.533 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.818 7.681 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.093 4.180 -6.425 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.758 4.255 -7.013 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.956 7.769 -6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -6.808 6.277 -7.236 1.00 0.00 H new ATOM 351 N GLY A 24 -4.837 4.298 -0.715 1.00 0.00 N ATOM 352 CA GLY A 24 -6.002 3.898 0.054 1.00 0.00 C ATOM 353 C GLY A 24 -5.795 4.059 1.546 1.00 0.00 C ATOM 354 O GLY A 24 -6.745 3.980 2.325 1.00 0.00 O ATOM 0 H GLY A 24 -4.098 3.597 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.861 4.493 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.239 2.857 -0.167 1.00 0.00 H new ATOM 358 N CYS A 25 -4.548 4.286 1.948 1.00 0.00 N ATOM 359 CA CYS A 25 -4.218 4.459 3.358 1.00 0.00 C ATOM 360 C CYS A 25 -3.502 5.786 3.591 1.00 0.00 C ATOM 361 O CYS A 25 -3.655 6.409 4.640 1.00 0.00 O ATOM 362 CB CYS A 25 -3.342 3.302 3.843 1.00 0.00 C ATOM 363 SG CYS A 25 -4.193 1.692 3.888 1.00 0.00 S ATOM 0 H CYS A 25 -3.750 4.354 1.317 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.149 4.465 3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -2.471 3.222 3.192 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.973 3.534 4.842 1.00 0.00 H new ATOM 368 N ASN A 26 -2.720 6.212 2.604 1.00 0.00 N ATOM 369 CA ASN A 26 -1.981 7.464 2.701 1.00 0.00 C ATOM 370 C ASN A 26 -0.705 7.281 3.519 1.00 0.00 C ATOM 371 O ASN A 26 -0.165 8.242 4.070 1.00 0.00 O ATOM 372 CB ASN A 26 -2.854 8.549 3.334 1.00 0.00 C ATOM 373 CG ASN A 26 -4.330 8.340 3.054 1.00 0.00 C ATOM 374 OD1 ASN A 26 -5.169 8.482 3.944 1.00 0.00 O ATOM 375 ND2 ASN A 26 -4.654 7.998 1.812 1.00 0.00 N ATOM 0 H ASN A 26 -2.582 5.708 1.728 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.705 7.772 1.693 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.690 8.561 4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.549 9.524 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.631 7.842 1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.926 7.891 1.106 1.00 0.00 H new ATOM 382 N HIS A 27 -0.230 6.042 3.593 1.00 0.00 N ATOM 383 CA HIS A 27 0.983 5.733 4.343 1.00 0.00 C ATOM 384 C HIS A 27 2.061 5.167 3.424 1.00 0.00 C ATOM 385 O HIS A 27 1.773 4.731 2.308 1.00 0.00 O ATOM 386 CB HIS A 27 0.676 4.736 5.462 1.00 0.00 C ATOM 387 CG HIS A 27 -0.133 5.320 6.578 1.00 0.00 C ATOM 388 ND1 HIS A 27 0.381 6.213 7.494 1.00 0.00 N ATOM 389 CD2 HIS A 27 -1.429 5.136 6.923 1.00 0.00 C ATOM 390 CE1 HIS A 27 -0.562 6.552 8.355 1.00 0.00 C ATOM 391 NE2 HIS A 27 -1.671 5.911 8.031 1.00 0.00 N ATOM 0 H HIS A 27 -0.665 5.236 3.144 1.00 0.00 H new ATOM 0 HA HIS A 27 1.354 6.659 4.782 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.140 3.885 5.042 1.00 0.00 H new ATOM 0 HB3 HIS A 27 1.614 4.354 5.865 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.141 4.498 6.420 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.446 7.236 9.182 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.562 5.980 8.523 1.00 0.00 H new ATOM 399 N LEU A 28 3.301 5.178 3.899 1.00 0.00 N ATOM 400 CA LEU A 28 4.423 4.667 3.118 1.00 0.00 C ATOM 401 C LEU A 28 4.437 3.141 3.119 1.00 0.00 C ATOM 402 O LEU A 28 4.035 2.507 4.094 1.00 0.00 O ATOM 403 CB LEU A 28 5.743 5.199 3.677 1.00 0.00 C ATOM 404 CG LEU A 28 6.112 6.630 3.280 1.00 0.00 C ATOM 405 CD1 LEU A 28 7.447 7.025 3.889 1.00 0.00 C ATOM 406 CD2 LEU A 28 6.152 6.769 1.765 1.00 0.00 C ATOM 0 H LEU A 28 3.556 5.535 4.820 1.00 0.00 H new ATOM 0 HA LEU A 28 4.305 5.011 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.702 5.144 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.545 4.535 3.354 1.00 0.00 H new ATOM 0 HG LEU A 28 5.347 7.303 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.693 8.046 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.383 6.965 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.224 6.348 3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.416 7.793 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.896 6.085 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.173 6.528 1.352 1.00 0.00 H new ATOM 418 N VAL A 29 4.903 2.558 2.019 1.00 0.00 N ATOM 419 CA VAL A 29 4.972 1.107 1.894 1.00 0.00 C ATOM 420 C VAL A 29 6.039 0.693 0.888 1.00 0.00 C ATOM 421 O VAL A 29 5.955 1.026 -0.296 1.00 0.00 O ATOM 422 CB VAL A 29 3.617 0.516 1.462 1.00 0.00 C ATOM 423 CG1 VAL A 29 3.133 -0.508 2.477 1.00 0.00 C ATOM 424 CG2 VAL A 29 2.589 1.621 1.276 1.00 0.00 C ATOM 0 H VAL A 29 5.238 3.068 1.202 1.00 0.00 H new ATOM 0 HA VAL A 29 5.233 0.716 2.877 1.00 0.00 H new ATOM 0 HB VAL A 29 3.750 0.010 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.174 -0.915 2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.862 -1.315 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.016 -0.029 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.638 1.185 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.458 2.158 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.934 2.313 0.508 1.00 0.00 H new ATOM 434 N CYS A 30 7.043 -0.037 1.364 1.00 0.00 N ATOM 435 CA CYS A 30 8.128 -0.498 0.506 1.00 0.00 C ATOM 436 C CYS A 30 7.580 -1.191 -0.739 1.00 0.00 C ATOM 437 O CYS A 30 6.369 -1.356 -0.888 1.00 0.00 O ATOM 438 CB CYS A 30 9.042 -1.455 1.274 1.00 0.00 C ATOM 439 SG CYS A 30 8.268 -3.050 1.690 1.00 0.00 S ATOM 0 H CYS A 30 7.127 -0.322 2.340 1.00 0.00 H new ATOM 0 HA CYS A 30 8.705 0.372 0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.936 -1.642 0.680 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.367 -0.970 2.195 1.00 0.00 H new ATOM 444 N ARG A 31 8.481 -1.593 -1.630 1.00 0.00 N ATOM 445 CA ARG A 31 8.088 -2.266 -2.862 1.00 0.00 C ATOM 446 C ARG A 31 7.886 -3.760 -2.625 1.00 0.00 C ATOM 447 O ARG A 31 7.966 -4.563 -3.555 1.00 0.00 O ATOM 448 CB ARG A 31 9.147 -2.050 -3.945 1.00 0.00 C ATOM 449 CG ARG A 31 10.500 -2.652 -3.604 1.00 0.00 C ATOM 450 CD ARG A 31 11.478 -2.514 -4.760 1.00 0.00 C ATOM 451 NE ARG A 31 12.856 -2.756 -4.342 1.00 0.00 N ATOM 452 CZ ARG A 31 13.828 -3.104 -5.178 1.00 0.00 C ATOM 453 NH1 ARG A 31 13.574 -3.249 -6.472 1.00 0.00 N ATOM 454 NH2 ARG A 31 15.058 -3.307 -4.723 1.00 0.00 N ATOM 0 H ARG A 31 9.487 -1.464 -1.522 1.00 0.00 H new ATOM 0 HA ARG A 31 7.143 -1.837 -3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.792 -2.483 -4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.267 -0.980 -4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.907 -2.159 -2.721 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.378 -3.706 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.209 -3.217 -5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.398 -1.513 -5.185 1.00 0.00 H new ATOM 0 HE ARG A 31 13.085 -2.652 -3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.631 -3.093 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.322 -3.516 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.259 -3.196 -3.729 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.802 -3.574 -5.367 1.00 0.00 H new ATOM 468 N ASP A 32 7.626 -4.125 -1.375 1.00 0.00 N ATOM 469 CA ASP A 32 7.412 -5.522 -1.014 1.00 0.00 C ATOM 470 C ASP A 32 6.092 -5.695 -0.271 1.00 0.00 C ATOM 471 O ASP A 32 5.631 -6.816 -0.055 1.00 0.00 O ATOM 472 CB ASP A 32 8.568 -6.031 -0.151 1.00 0.00 C ATOM 473 CG ASP A 32 8.536 -7.536 0.029 1.00 0.00 C ATOM 474 OD1 ASP A 32 7.799 -8.208 -0.722 1.00 0.00 O ATOM 475 OD2 ASP A 32 9.250 -8.042 0.920 1.00 0.00 O ATOM 0 H ASP A 32 7.558 -3.473 -0.594 1.00 0.00 H new ATOM 0 HA ASP A 32 7.370 -6.107 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.514 -5.743 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.527 -5.550 0.826 1.00 0.00 H new ATOM 480 N CYS A 33 5.487 -4.578 0.118 1.00 0.00 N ATOM 481 CA CYS A 33 4.219 -4.605 0.839 1.00 0.00 C ATOM 482 C CYS A 33 3.085 -4.079 -0.036 1.00 0.00 C ATOM 483 O CYS A 33 1.984 -3.818 0.449 1.00 0.00 O ATOM 484 CB CYS A 33 4.319 -3.773 2.119 1.00 0.00 C ATOM 485 SG CYS A 33 5.317 -4.546 3.432 1.00 0.00 S ATOM 0 H CYS A 33 5.854 -3.642 -0.054 1.00 0.00 H new ATOM 0 HA CYS A 33 4.001 -5.640 1.103 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.749 -2.801 1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.314 -3.591 2.501 1.00 0.00 H new ATOM 490 N ARG A 34 3.362 -3.927 -1.327 1.00 0.00 N ATOM 491 CA ARG A 34 2.366 -3.431 -2.269 1.00 0.00 C ATOM 492 C ARG A 34 1.828 -4.565 -3.137 1.00 0.00 C ATOM 493 O ARG A 34 2.561 -5.488 -3.495 1.00 0.00 O ATOM 494 CB ARG A 34 2.969 -2.339 -3.154 1.00 0.00 C ATOM 495 CG ARG A 34 4.378 -1.937 -2.751 1.00 0.00 C ATOM 496 CD ARG A 34 4.951 -0.893 -3.695 1.00 0.00 C ATOM 497 NE ARG A 34 5.433 -1.486 -4.940 1.00 0.00 N ATOM 498 CZ ARG A 34 6.171 -0.831 -5.829 1.00 0.00 C ATOM 499 NH1 ARG A 34 6.510 0.432 -5.612 1.00 0.00 N ATOM 500 NH2 ARG A 34 6.572 -1.440 -6.938 1.00 0.00 N ATOM 0 H ARG A 34 4.268 -4.140 -1.744 1.00 0.00 H new ATOM 0 HA ARG A 34 1.539 -3.010 -1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.981 -2.686 -4.187 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.326 -1.460 -3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.369 -1.544 -1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.021 -2.817 -2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.187 -0.149 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.770 -0.369 -3.202 1.00 0.00 H new ATOM 0 HE ARG A 34 5.189 -2.457 -5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.204 0.903 -4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 34 7.077 0.933 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.313 -2.412 -7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.139 -0.936 -7.620 1.00 0.00 H new ATOM 514 N ILE A 35 0.545 -4.489 -3.473 1.00 0.00 N ATOM 515 CA ILE A 35 -0.090 -5.508 -4.299 1.00 0.00 C ATOM 516 C ILE A 35 -0.508 -4.938 -5.650 1.00 0.00 C ATOM 517 O ILE A 35 -1.580 -4.346 -5.779 1.00 0.00 O ATOM 518 CB ILE A 35 -1.327 -6.108 -3.603 1.00 0.00 C ATOM 519 CG1 ILE A 35 -0.915 -7.278 -2.705 1.00 0.00 C ATOM 520 CG2 ILE A 35 -2.348 -6.559 -4.635 1.00 0.00 C ATOM 521 CD1 ILE A 35 -0.237 -6.846 -1.424 1.00 0.00 C ATOM 0 H ILE A 35 -0.075 -3.732 -3.186 1.00 0.00 H new ATOM 0 HA ILE A 35 0.648 -6.295 -4.451 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.785 -5.340 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.800 -7.865 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.243 -7.932 -3.260 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.216 -6.981 -4.128 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.659 -5.705 -5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.902 -7.315 -5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.027 -7.726 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.666 -6.284 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.915 -6.216 -0.848 1.00 0.00 H new ATOM 533 N GLN A 36 0.344 -5.121 -6.653 1.00 0.00 N ATOM 534 CA GLN A 36 0.061 -4.626 -7.995 1.00 0.00 C ATOM 535 C GLN A 36 -1.402 -4.850 -8.362 1.00 0.00 C ATOM 536 O GLN A 36 -1.848 -5.987 -8.509 1.00 0.00 O ATOM 537 CB GLN A 36 0.966 -5.316 -9.018 1.00 0.00 C ATOM 538 CG GLN A 36 2.338 -5.675 -8.471 1.00 0.00 C ATOM 539 CD GLN A 36 2.355 -7.022 -7.776 1.00 0.00 C ATOM 540 OE1 GLN A 36 3.403 -7.658 -7.654 1.00 0.00 O ATOM 541 NE2 GLN A 36 1.192 -7.466 -7.315 1.00 0.00 N ATOM 0 H GLN A 36 1.236 -5.608 -6.562 1.00 0.00 H new ATOM 0 HA GLN A 36 0.260 -3.554 -8.008 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.476 -6.223 -9.371 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.088 -4.663 -9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.060 -5.683 -9.288 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.658 -4.905 -7.770 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.348 -6.907 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.143 -8.366 -6.838 1.00 0.00 H new ATOM 550 N GLU A 37 -2.145 -3.758 -8.506 1.00 0.00 N ATOM 551 CA GLU A 37 -3.559 -3.836 -8.854 1.00 0.00 C ATOM 552 C GLU A 37 -3.741 -3.989 -10.362 1.00 0.00 C ATOM 553 O GLU A 37 -4.792 -4.426 -10.830 1.00 0.00 O ATOM 554 CB GLU A 37 -4.297 -2.588 -8.365 1.00 0.00 C ATOM 555 CG GLU A 37 -4.171 -2.353 -6.869 1.00 0.00 C ATOM 556 CD GLU A 37 -5.464 -2.624 -6.125 1.00 0.00 C ATOM 557 OE1 GLU A 37 -5.618 -3.744 -5.593 1.00 0.00 O ATOM 558 OE2 GLU A 37 -6.321 -1.718 -6.075 1.00 0.00 O ATOM 0 H GLU A 37 -1.792 -2.809 -8.387 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.979 -4.714 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.911 -1.717 -8.895 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.352 -2.676 -8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.385 -2.994 -6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.863 -1.323 -6.692 1.00 0.00 H new ATOM 565 N SER A 38 -2.708 -3.627 -11.116 1.00 0.00 N ATOM 566 CA SER A 38 -2.755 -3.720 -12.571 1.00 0.00 C ATOM 567 C SER A 38 -3.850 -2.822 -13.138 1.00 0.00 C ATOM 568 O SER A 38 -4.154 -2.873 -14.329 1.00 0.00 O ATOM 569 CB SER A 38 -2.993 -5.169 -13.003 1.00 0.00 C ATOM 570 OG SER A 38 -1.844 -5.709 -13.630 1.00 0.00 O ATOM 0 H SER A 38 -1.829 -3.267 -10.744 1.00 0.00 H new ATOM 0 HA SER A 38 -1.795 -3.384 -12.963 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.254 -5.773 -12.134 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.840 -5.213 -13.688 1.00 0.00 H new ATOM 0 HG SER A 38 -2.021 -6.636 -13.895 1.00 0.00 H new ATOM 576 N ASN A 39 -4.437 -1.999 -12.275 1.00 0.00 N ATOM 577 CA ASN A 39 -5.498 -1.089 -12.689 1.00 0.00 C ATOM 578 C ASN A 39 -4.983 0.344 -12.776 1.00 0.00 C ATOM 579 O ASN A 39 -5.741 1.299 -12.607 1.00 0.00 O ATOM 580 CB ASN A 39 -6.672 -1.162 -11.710 1.00 0.00 C ATOM 581 CG ASN A 39 -7.891 -0.413 -12.212 1.00 0.00 C ATOM 582 OD1 ASN A 39 -8.327 -0.602 -13.348 1.00 0.00 O ATOM 583 ND2 ASN A 39 -8.449 0.444 -11.365 1.00 0.00 N ATOM 0 H ASN A 39 -4.196 -1.944 -11.285 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.839 -1.394 -13.678 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.935 -2.206 -11.540 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.366 -0.750 -10.749 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.272 0.977 -11.647 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.055 0.570 -10.433 1.00 0.00 H new ATOM 590 N GLY A 40 -3.688 0.487 -13.042 1.00 0.00 N ATOM 591 CA GLY A 40 -3.093 1.806 -13.147 1.00 0.00 C ATOM 592 C GLY A 40 -2.344 2.207 -11.890 1.00 0.00 C ATOM 593 O GLY A 40 -1.580 3.172 -11.895 1.00 0.00 O ATOM 0 H GLY A 40 -3.040 -0.288 -13.187 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.409 1.826 -13.996 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.874 2.538 -13.350 1.00 0.00 H new ATOM 597 N THR A 41 -2.564 1.463 -10.811 1.00 0.00 N ATOM 598 CA THR A 41 -1.906 1.746 -9.541 1.00 0.00 C ATOM 599 C THR A 41 -1.745 0.480 -8.710 1.00 0.00 C ATOM 600 O THR A 41 -1.833 -0.632 -9.232 1.00 0.00 O ATOM 601 CB THR A 41 -2.692 2.788 -8.721 1.00 0.00 C ATOM 602 OG1 THR A 41 -1.893 3.257 -7.630 1.00 0.00 O ATOM 603 CG2 THR A 41 -3.988 2.193 -8.190 1.00 0.00 C ATOM 0 H THR A 41 -3.193 0.660 -10.791 1.00 0.00 H new ATOM 0 HA THR A 41 -0.921 2.148 -9.779 1.00 0.00 H new ATOM 0 HB THR A 41 -2.937 3.624 -9.376 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.259 3.931 -7.954 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.525 2.947 -7.615 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.607 1.865 -9.025 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.761 1.341 -7.549 1.00 0.00 H new ATOM 611 N TRP A 42 -1.510 0.653 -7.414 1.00 0.00 N ATOM 612 CA TRP A 42 -1.338 -0.478 -6.511 1.00 0.00 C ATOM 613 C TRP A 42 -1.874 -0.152 -5.121 1.00 0.00 C ATOM 614 O TRP A 42 -2.091 1.013 -4.787 1.00 0.00 O ATOM 615 CB TRP A 42 0.139 -0.867 -6.422 1.00 0.00 C ATOM 616 CG TRP A 42 1.014 0.238 -5.913 1.00 0.00 C ATOM 617 CD1 TRP A 42 1.860 1.019 -6.648 1.00 0.00 C ATOM 618 CD2 TRP A 42 1.131 0.683 -4.558 1.00 0.00 C ATOM 619 NE1 TRP A 42 2.495 1.923 -5.831 1.00 0.00 N ATOM 620 CE2 TRP A 42 2.066 1.737 -4.544 1.00 0.00 C ATOM 621 CE3 TRP A 42 0.537 0.295 -3.354 1.00 0.00 C ATOM 622 CZ2 TRP A 42 2.418 2.405 -3.374 1.00 0.00 C ATOM 623 CZ3 TRP A 42 0.888 0.958 -2.193 1.00 0.00 C ATOM 624 CH2 TRP A 42 1.820 2.004 -2.210 1.00 0.00 C ATOM 0 H TRP A 42 -1.434 1.566 -6.966 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.905 -1.319 -6.911 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.241 -1.732 -5.767 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.487 -1.171 -7.409 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.008 0.938 -7.715 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.176 2.620 -6.134 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.184 -0.509 -3.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 3.137 3.211 -3.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.436 0.665 -1.257 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.072 2.504 -1.286 1.00 0.00 H new ATOM 635 N ARG A 43 -2.086 -1.187 -4.314 1.00 0.00 N ATOM 636 CA ARG A 43 -2.597 -1.008 -2.961 1.00 0.00 C ATOM 637 C ARG A 43 -1.911 -1.965 -1.990 1.00 0.00 C ATOM 638 O ARG A 43 -1.782 -3.159 -2.265 1.00 0.00 O ATOM 639 CB ARG A 43 -4.110 -1.233 -2.932 1.00 0.00 C ATOM 640 CG ARG A 43 -4.900 -0.149 -3.646 1.00 0.00 C ATOM 641 CD ARG A 43 -5.573 0.792 -2.659 1.00 0.00 C ATOM 642 NE ARG A 43 -7.006 0.531 -2.543 1.00 0.00 N ATOM 643 CZ ARG A 43 -7.912 1.029 -3.377 1.00 0.00 C ATOM 644 NH1 ARG A 43 -7.538 1.808 -4.382 1.00 0.00 N ATOM 645 NH2 ARG A 43 -9.197 0.746 -3.207 1.00 0.00 N ATOM 0 H ARG A 43 -1.912 -2.158 -4.574 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.382 0.014 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.335 -2.196 -3.390 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.441 -1.289 -1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.235 0.419 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.654 -0.608 -4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.105 0.686 -1.680 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.417 1.823 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.328 -0.066 -1.781 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.551 2.027 -4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.237 2.188 -5.020 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.489 0.146 -2.436 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.893 1.129 -3.848 1.00 0.00 H new ATOM 659 N CYS A 44 -1.472 -1.434 -0.855 1.00 0.00 N ATOM 660 CA CYS A 44 -0.798 -2.239 0.158 1.00 0.00 C ATOM 661 C CYS A 44 -1.512 -3.573 0.355 1.00 0.00 C ATOM 662 O CYS A 44 -2.639 -3.761 -0.105 1.00 0.00 O ATOM 663 CB CYS A 44 -0.736 -1.479 1.485 1.00 0.00 C ATOM 664 SG CYS A 44 -2.316 -1.437 2.392 1.00 0.00 S ATOM 0 H CYS A 44 -1.571 -0.448 -0.612 1.00 0.00 H new ATOM 0 HA CYS A 44 0.217 -2.438 -0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.023 -1.938 2.119 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.413 -0.456 1.291 1.00 0.00 H new ATOM 669 N LYS A 45 -0.850 -4.497 1.043 1.00 0.00 N ATOM 670 CA LYS A 45 -1.419 -5.813 1.304 1.00 0.00 C ATOM 671 C LYS A 45 -2.636 -5.708 2.218 1.00 0.00 C ATOM 672 O LYS A 45 -3.460 -6.620 2.277 1.00 0.00 O ATOM 673 CB LYS A 45 -0.369 -6.729 1.938 1.00 0.00 C ATOM 674 CG LYS A 45 1.058 -6.363 1.569 1.00 0.00 C ATOM 675 CD LYS A 45 2.012 -7.518 1.826 1.00 0.00 C ATOM 676 CE LYS A 45 2.036 -8.492 0.657 1.00 0.00 C ATOM 677 NZ LYS A 45 2.200 -9.900 1.112 1.00 0.00 N ATOM 0 H LYS A 45 0.083 -4.358 1.430 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.737 -6.239 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.476 -6.694 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.563 -7.757 1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.102 -6.080 0.517 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.373 -5.494 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.016 -7.130 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.713 -8.044 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.111 -8.400 0.088 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.852 -8.231 -0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.212 -10.532 0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.095 -9.994 1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.408 -10.158 1.735 1.00 0.00 H new ATOM 691 N VAL A 46 -2.743 -4.588 2.927 1.00 0.00 N ATOM 692 CA VAL A 46 -3.861 -4.363 3.835 1.00 0.00 C ATOM 693 C VAL A 46 -5.085 -3.851 3.084 1.00 0.00 C ATOM 694 O VAL A 46 -6.215 -3.974 3.559 1.00 0.00 O ATOM 695 CB VAL A 46 -3.492 -3.355 4.940 1.00 0.00 C ATOM 696 CG1 VAL A 46 -4.499 -3.418 6.078 1.00 0.00 C ATOM 697 CG2 VAL A 46 -2.082 -3.616 5.449 1.00 0.00 C ATOM 0 H VAL A 46 -2.069 -3.823 2.890 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.095 -5.324 4.293 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.521 -2.351 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.222 -2.699 6.849 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.492 -3.178 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.505 -4.422 6.503 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.837 -2.895 6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.023 -4.625 5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.374 -3.515 4.627 1.00 0.00 H new ATOM 707 N CYS A 47 -4.853 -3.279 1.908 1.00 0.00 N ATOM 708 CA CYS A 47 -5.937 -2.748 1.090 1.00 0.00 C ATOM 709 C CYS A 47 -6.346 -3.749 0.012 1.00 0.00 C ATOM 710 O CYS A 47 -7.522 -4.087 -0.122 1.00 0.00 O ATOM 711 CB CYS A 47 -5.515 -1.428 0.441 1.00 0.00 C ATOM 712 SG CYS A 47 -5.639 0.016 1.544 1.00 0.00 S ATOM 0 H CYS A 47 -3.924 -3.171 1.500 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.794 -2.569 1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.486 -1.519 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.134 -1.254 -0.439 1.00 0.00 H new ATOM 717 N ALA A 48 -5.366 -4.220 -0.752 1.00 0.00 N ATOM 718 CA ALA A 48 -5.623 -5.182 -1.816 1.00 0.00 C ATOM 719 C ALA A 48 -5.999 -6.545 -1.243 1.00 0.00 C ATOM 720 O ALA A 48 -6.434 -7.437 -1.971 1.00 0.00 O ATOM 721 CB ALA A 48 -4.406 -5.307 -2.720 1.00 0.00 C ATOM 0 H ALA A 48 -4.387 -3.951 -0.654 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.465 -4.818 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.612 -6.029 -3.510 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.181 -4.337 -3.164 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.551 -5.645 -2.134 1.00 0.00 H new ATOM 727 N LYS A 49 -5.829 -6.699 0.066 1.00 0.00 N ATOM 728 CA LYS A 49 -6.152 -7.952 0.738 1.00 0.00 C ATOM 729 C LYS A 49 -6.802 -7.692 2.093 1.00 0.00 C ATOM 730 O LYS A 49 -6.374 -6.809 2.836 1.00 0.00 O ATOM 731 CB LYS A 49 -4.888 -8.797 0.920 1.00 0.00 C ATOM 732 CG LYS A 49 -5.090 -10.269 0.604 1.00 0.00 C ATOM 733 CD LYS A 49 -5.123 -10.517 -0.895 1.00 0.00 C ATOM 734 CE LYS A 49 -3.849 -11.194 -1.377 1.00 0.00 C ATOM 735 NZ LYS A 49 -3.916 -12.673 -1.227 1.00 0.00 N ATOM 0 H LYS A 49 -5.469 -5.971 0.683 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.860 -8.497 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.101 -8.401 0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.541 -8.699 1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.286 -10.852 1.053 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.022 -10.614 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.983 -11.139 -1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.253 -9.570 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.678 -10.943 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.998 -10.810 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.029 -13.097 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.054 -12.914 -0.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.712 -13.043 -1.785 1.00 0.00 H new ATOM 749 N GLU A 50 -7.835 -8.467 2.407 1.00 0.00 N ATOM 750 CA GLU A 50 -8.542 -8.319 3.674 1.00 0.00 C ATOM 751 C GLU A 50 -8.884 -9.681 4.269 1.00 0.00 C ATOM 752 O GLU A 50 -9.106 -10.650 3.541 1.00 0.00 O ATOM 753 CB GLU A 50 -9.820 -7.500 3.478 1.00 0.00 C ATOM 754 CG GLU A 50 -9.890 -6.262 4.355 1.00 0.00 C ATOM 755 CD GLU A 50 -11.065 -5.368 4.008 1.00 0.00 C ATOM 756 OE1 GLU A 50 -11.758 -5.660 3.011 1.00 0.00 O ATOM 757 OE2 GLU A 50 -11.292 -4.377 4.733 1.00 0.00 O ATOM 0 H GLU A 50 -8.201 -9.203 1.803 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.885 -7.794 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.892 -7.199 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.683 -8.133 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.964 -6.565 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.964 -5.696 4.252 1.00 0.00 H new ATOM 764 N ILE A 51 -8.923 -9.748 5.595 1.00 0.00 N ATOM 765 CA ILE A 51 -9.238 -10.992 6.288 1.00 0.00 C ATOM 766 C ILE A 51 -10.603 -10.915 6.964 1.00 0.00 C ATOM 767 O ILE A 51 -11.293 -11.923 7.107 1.00 0.00 O ATOM 768 CB ILE A 51 -8.172 -11.333 7.346 1.00 0.00 C ATOM 769 CG1 ILE A 51 -7.397 -10.075 7.744 1.00 0.00 C ATOM 770 CG2 ILE A 51 -7.225 -12.400 6.819 1.00 0.00 C ATOM 771 CD1 ILE A 51 -6.604 -10.233 9.022 1.00 0.00 C ATOM 0 H ILE A 51 -8.741 -8.956 6.211 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.253 -11.778 5.533 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.672 -11.725 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.718 -9.806 6.935 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.098 -9.248 7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.477 -12.630 7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.789 -13.302 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.729 -12.034 5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.080 -9.303 9.243 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.280 -10.472 9.843 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.879 -11.038 8.903 1.00 0.00 H new ATOM 783 N GLU A 52 -10.986 -9.709 7.375 1.00 0.00 N ATOM 784 CA GLU A 52 -12.269 -9.501 8.035 1.00 0.00 C ATOM 785 C GLU A 52 -12.589 -8.013 8.144 1.00 0.00 C ATOM 786 O GLU A 52 -12.969 -7.523 9.208 1.00 0.00 O ATOM 787 CB GLU A 52 -12.260 -10.134 9.427 1.00 0.00 C ATOM 788 CG GLU A 52 -13.632 -10.594 9.895 1.00 0.00 C ATOM 789 CD GLU A 52 -13.655 -12.060 10.282 1.00 0.00 C ATOM 790 OE1 GLU A 52 -14.756 -12.650 10.305 1.00 0.00 O ATOM 791 OE2 GLU A 52 -12.574 -12.617 10.565 1.00 0.00 O ATOM 0 H GLU A 52 -10.427 -8.863 7.262 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.041 -9.979 7.431 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.581 -10.987 9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.864 -9.413 10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.941 -9.992 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.359 -10.420 9.102 1.00 0.00 H new ATOM 798 N LEU A 53 -12.431 -7.297 7.036 1.00 0.00 N ATOM 799 CA LEU A 53 -12.701 -5.864 7.005 1.00 0.00 C ATOM 800 C LEU A 53 -11.519 -5.074 7.554 1.00 0.00 C ATOM 801 O LEU A 53 -11.664 -3.883 7.829 1.00 0.00 O ATOM 802 CB LEU A 53 -13.961 -5.546 7.813 1.00 0.00 C ATOM 803 CG LEU A 53 -14.805 -4.375 7.307 1.00 0.00 C ATOM 804 CD1 LEU A 53 -15.726 -4.827 6.185 1.00 0.00 C ATOM 805 CD2 LEU A 53 -15.608 -3.766 8.447 1.00 0.00 C ATOM 0 H LEU A 53 -12.117 -7.686 6.147 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.858 -5.571 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.588 -6.437 7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.666 -5.338 8.841 1.00 0.00 H new ATOM 0 HG LEU A 53 -14.135 -3.611 6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.319 -3.981 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.130 -5.216 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -16.391 -5.609 6.553 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.203 -2.934 8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.269 -4.522 8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.928 -3.405 9.219 1.00 0.00 H new TER 817 LEU A 53 HETATM 818 ZN ZN A 201 7.117 -3.094 3.713 1.00 0.00 ZN HETATM 819 ZN ZN A 202 -3.415 0.589 1.981 1.00 0.00 ZN