USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 534 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 Set 1.1: A 36 SER OG : rot 180:sc= 0.135 USER MOD Set 1.2: A 43 LYS NZ :NH3+ -132:sc= 1.65 (180deg=0.617) USER MOD Set 2.1: A 29 HIS : no HE2:sc= 0.453 K(o=1.7,f=-3.4) USER MOD Set 2.2: A 61 THR OG1 : rot -177:sc= 1.29 USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= -0.462 USER MOD Set 3.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 18 CYS SG : rot -150:sc= -0.267 USER MOD Single : A 13 MET CE :methyl -166:sc= -0.514 (180deg=-1.47) USER MOD Single : A 14 THR OG1 : rot -19:sc= 0.382 USER MOD Single : A 20 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.086) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 120:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 CYS SG : rot 28:sc= -0.319 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.249 X(o=0.25,f=-0.027) USER MOD Single : A 45 HIS : no HE2:sc= 0.409 K(o=0.41,f=-4.7!) USER MOD Single : A 47 LYS NZ :NH3+ 143:sc= 1.28 (180deg=1.15) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.302 K(o=0.3,f=-6.6!) USER MOD Single : A 64 SER OG : rot -29:sc= 1.21 USER MOD Single : A 70 SER OG : rot -131:sc= 0.698 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -4.465 -13.074 -0.496 1.00 1.64 N ATOM 40 CA GLY A 4 -4.876 -13.182 0.893 1.00 3.11 C ATOM 41 C GLY A 4 -4.975 -11.787 1.491 1.00 2.73 C ATOM 42 O GLY A 4 -6.077 -11.270 1.685 1.00 3.76 O ATOM 0 HA2 GLY A 4 -5.838 -13.690 0.962 1.00 3.11 H new ATOM 0 HA3 GLY A 4 -4.158 -13.781 1.453 1.00 3.11 H new ATOM 46 N VAL A 5 -3.828 -11.177 1.788 1.00 1.41 N ATOM 47 CA VAL A 5 -3.695 -9.776 2.153 1.00 0.89 C ATOM 48 C VAL A 5 -2.244 -9.381 1.866 1.00 0.98 C ATOM 49 O VAL A 5 -1.405 -10.267 1.711 1.00 1.65 O ATOM 50 CB VAL A 5 -4.091 -9.586 3.632 1.00 1.13 C ATOM 51 CG1 VAL A 5 -3.042 -10.141 4.606 1.00 2.21 C ATOM 52 CG2 VAL A 5 -4.371 -8.120 3.969 1.00 2.51 C ATOM 0 H VAL A 5 -2.934 -11.668 1.779 1.00 1.41 H new ATOM 0 HA VAL A 5 -4.359 -9.131 1.577 1.00 0.89 H new ATOM 0 HB VAL A 5 -5.009 -10.160 3.758 1.00 1.13 H new ATOM 0 HG11 VAL A 5 -3.375 -9.979 5.631 1.00 2.21 H new ATOM 0 HG12 VAL A 5 -2.912 -11.209 4.431 1.00 2.21 H new ATOM 0 HG13 VAL A 5 -2.092 -9.630 4.448 1.00 2.21 H new ATOM 0 HG21 VAL A 5 -4.646 -8.034 5.020 1.00 2.51 H new ATOM 0 HG22 VAL A 5 -3.477 -7.526 3.778 1.00 2.51 H new ATOM 0 HG23 VAL A 5 -5.189 -7.754 3.349 1.00 2.51 H new ATOM 62 N LEU A 6 -1.934 -8.084 1.858 1.00 0.84 N ATOM 63 CA LEU A 6 -0.605 -7.598 2.190 1.00 0.94 C ATOM 64 C LEU A 6 -0.773 -6.431 3.164 1.00 0.80 C ATOM 65 O LEU A 6 -1.564 -5.522 2.905 1.00 1.03 O ATOM 66 CB LEU A 6 0.168 -7.189 0.930 1.00 1.07 C ATOM 67 CG LEU A 6 1.678 -7.107 1.219 1.00 1.16 C ATOM 68 CD1 LEU A 6 2.319 -8.501 1.203 1.00 2.23 C ATOM 69 CD2 LEU A 6 2.367 -6.233 0.169 1.00 2.19 C ATOM 0 H LEU A 6 -2.599 -7.347 1.621 1.00 0.84 H new ATOM 0 HA LEU A 6 -0.015 -8.386 2.658 1.00 0.94 H new ATOM 0 HB2 LEU A 6 -0.016 -7.911 0.134 1.00 1.07 H new ATOM 0 HB3 LEU A 6 -0.192 -6.224 0.574 1.00 1.07 H new ATOM 0 HG LEU A 6 1.804 -6.670 2.209 1.00 1.16 H new ATOM 0 HD11 LEU A 6 3.386 -8.413 1.410 1.00 2.23 H new ATOM 0 HD12 LEU A 6 1.852 -9.125 1.965 1.00 2.23 H new ATOM 0 HD13 LEU A 6 2.176 -8.956 0.223 1.00 2.23 H new ATOM 0 HD21 LEU A 6 3.435 -6.181 0.382 1.00 2.19 H new ATOM 0 HD22 LEU A 6 2.215 -6.665 -0.820 1.00 2.19 H new ATOM 0 HD23 LEU A 6 1.943 -5.229 0.196 1.00 2.19 H new ATOM 81 N GLU A 7 -0.064 -6.489 4.292 1.00 0.89 N ATOM 82 CA GLU A 7 -0.102 -5.505 5.362 1.00 0.86 C ATOM 83 C GLU A 7 1.303 -4.972 5.563 1.00 0.83 C ATOM 84 O GLU A 7 2.260 -5.746 5.613 1.00 1.38 O ATOM 85 CB GLU A 7 -0.644 -6.150 6.639 1.00 1.23 C ATOM 86 CG GLU A 7 -2.161 -6.222 6.488 1.00 1.78 C ATOM 87 CD GLU A 7 -2.875 -6.953 7.612 1.00 2.69 C ATOM 88 OE1 GLU A 7 -2.238 -7.829 8.241 1.00 3.72 O ATOM 89 OE2 GLU A 7 -4.070 -6.630 7.797 1.00 3.23 O ATOM 0 H GLU A 7 0.578 -7.257 4.488 1.00 0.89 H new ATOM 0 HA GLU A 7 -0.765 -4.678 5.106 1.00 0.86 H new ATOM 0 HB2 GLU A 7 -0.222 -7.145 6.778 1.00 1.23 H new ATOM 0 HB3 GLU A 7 -0.370 -5.562 7.515 1.00 1.23 H new ATOM 0 HG2 GLU A 7 -2.555 -5.208 6.424 1.00 1.78 H new ATOM 0 HG3 GLU A 7 -2.396 -6.715 5.545 1.00 1.78 H new ATOM 96 N LEU A 8 1.422 -3.651 5.657 1.00 0.71 N ATOM 97 CA LEU A 8 2.694 -2.992 5.846 1.00 0.72 C ATOM 98 C LEU A 8 2.477 -1.676 6.581 1.00 0.63 C ATOM 99 O LEU A 8 1.370 -1.138 6.572 1.00 0.73 O ATOM 100 CB LEU A 8 3.469 -2.879 4.511 1.00 0.91 C ATOM 101 CG LEU A 8 2.798 -2.293 3.253 1.00 0.82 C ATOM 102 CD1 LEU A 8 1.638 -3.123 2.692 1.00 2.16 C ATOM 103 CD2 LEU A 8 2.378 -0.839 3.436 1.00 2.73 C ATOM 0 H LEU A 8 0.630 -3.011 5.603 1.00 0.71 H new ATOM 0 HA LEU A 8 3.345 -3.592 6.483 1.00 0.72 H new ATOM 0 HB2 LEU A 8 4.358 -2.280 4.707 1.00 0.91 H new ATOM 0 HB3 LEU A 8 3.810 -3.882 4.254 1.00 0.91 H new ATOM 0 HG LEU A 8 3.586 -2.335 2.501 1.00 0.82 H new ATOM 0 HD11 LEU A 8 1.231 -2.630 1.809 1.00 2.16 H new ATOM 0 HD12 LEU A 8 1.999 -4.115 2.420 1.00 2.16 H new ATOM 0 HD13 LEU A 8 0.858 -3.215 3.448 1.00 2.16 H new ATOM 0 HD21 LEU A 8 1.911 -0.477 2.520 1.00 2.73 H new ATOM 0 HD22 LEU A 8 1.667 -0.767 4.259 1.00 2.73 H new ATOM 0 HD23 LEU A 8 3.255 -0.232 3.660 1.00 2.73 H new ATOM 115 N VAL A 9 3.525 -1.179 7.242 1.00 0.58 N ATOM 116 CA VAL A 9 3.556 0.155 7.811 1.00 0.57 C ATOM 117 C VAL A 9 3.830 1.109 6.650 1.00 0.58 C ATOM 118 O VAL A 9 4.577 0.726 5.751 1.00 0.73 O ATOM 119 CB VAL A 9 4.630 0.240 8.922 1.00 0.60 C ATOM 120 CG1 VAL A 9 5.440 1.545 8.917 1.00 0.64 C ATOM 121 CG2 VAL A 9 3.976 0.097 10.303 1.00 0.75 C ATOM 0 H VAL A 9 4.385 -1.706 7.395 1.00 0.58 H new ATOM 0 HA VAL A 9 2.614 0.420 8.291 1.00 0.57 H new ATOM 0 HB VAL A 9 5.321 -0.577 8.714 1.00 0.60 H new ATOM 0 HG11 VAL A 9 6.170 1.523 9.726 1.00 0.64 H new ATOM 0 HG12 VAL A 9 5.958 1.648 7.964 1.00 0.64 H new ATOM 0 HG13 VAL A 9 4.767 2.391 9.058 1.00 0.64 H new ATOM 0 HG21 VAL A 9 4.742 0.158 11.076 1.00 0.75 H new ATOM 0 HG22 VAL A 9 3.250 0.898 10.447 1.00 0.75 H new ATOM 0 HG23 VAL A 9 3.471 -0.867 10.368 1.00 0.75 H new ATOM 131 N VAL A 10 3.256 2.319 6.666 1.00 0.69 N ATOM 132 CA VAL A 10 3.505 3.383 5.719 1.00 0.74 C ATOM 133 C VAL A 10 3.857 4.653 6.498 1.00 0.75 C ATOM 134 O VAL A 10 3.205 4.968 7.499 1.00 1.08 O ATOM 135 CB VAL A 10 2.258 3.589 4.852 1.00 0.89 C ATOM 136 CG1 VAL A 10 2.497 4.730 3.870 1.00 1.72 C ATOM 137 CG2 VAL A 10 1.945 2.334 4.042 1.00 1.72 C ATOM 0 H VAL A 10 2.575 2.582 7.378 1.00 0.69 H new ATOM 0 HA VAL A 10 4.337 3.132 5.061 1.00 0.74 H new ATOM 0 HB VAL A 10 1.424 3.816 5.516 1.00 0.89 H new ATOM 0 HG11 VAL A 10 1.608 4.873 3.255 1.00 1.72 H new ATOM 0 HG12 VAL A 10 2.709 5.646 4.421 1.00 1.72 H new ATOM 0 HG13 VAL A 10 3.345 4.488 3.230 1.00 1.72 H new ATOM 0 HG21 VAL A 10 1.056 2.505 3.435 1.00 1.72 H new ATOM 0 HG22 VAL A 10 2.789 2.100 3.392 1.00 1.72 H new ATOM 0 HG23 VAL A 10 1.767 1.499 4.719 1.00 1.72 H new ATOM 147 N ARG A 11 4.872 5.387 6.028 1.00 0.79 N ATOM 148 CA ARG A 11 5.293 6.664 6.600 1.00 0.92 C ATOM 149 C ARG A 11 5.416 7.692 5.473 1.00 0.91 C ATOM 150 O ARG A 11 5.458 7.323 4.300 1.00 1.24 O ATOM 151 CB ARG A 11 6.618 6.532 7.371 1.00 1.13 C ATOM 152 CG ARG A 11 6.816 5.159 8.027 1.00 1.32 C ATOM 153 CD ARG A 11 8.101 5.127 8.866 1.00 1.76 C ATOM 154 NE ARG A 11 8.456 3.746 9.234 1.00 2.84 N ATOM 155 CZ ARG A 11 8.979 2.826 8.403 1.00 4.26 C ATOM 156 NH1 ARG A 11 9.476 3.160 7.210 1.00 4.78 N ATOM 157 NH2 ARG A 11 8.988 1.541 8.762 1.00 5.81 N ATOM 0 H ARG A 11 5.432 5.102 5.225 1.00 0.79 H new ATOM 0 HA ARG A 11 4.543 6.994 7.319 1.00 0.92 H new ATOM 0 HB2 ARG A 11 7.446 6.721 6.688 1.00 1.13 H new ATOM 0 HB3 ARG A 11 6.658 7.302 8.141 1.00 1.13 H new ATOM 0 HG2 ARG A 11 5.959 4.928 8.660 1.00 1.32 H new ATOM 0 HG3 ARG A 11 6.861 4.388 7.258 1.00 1.32 H new ATOM 0 HD2 ARG A 11 8.918 5.579 8.304 1.00 1.76 H new ATOM 0 HD3 ARG A 11 7.966 5.724 9.768 1.00 1.76 H new ATOM 0 HE ARG A 11 8.292 3.463 10.200 1.00 2.84 H new ATOM 0 HH11 ARG A 11 9.466 4.134 6.908 1.00 4.78 H new ATOM 0 HH12 ARG A 11 9.866 2.441 6.601 1.00 4.78 H new ATOM 0 HH21 ARG A 11 8.600 1.260 9.662 1.00 5.81 H new ATOM 0 HH22 ARG A 11 9.383 0.839 8.136 1.00 5.81 H new ATOM 171 N GLY A 12 5.451 8.981 5.825 1.00 0.96 N ATOM 172 CA GLY A 12 5.549 10.074 4.865 1.00 0.98 C ATOM 173 C GLY A 12 4.181 10.660 4.512 1.00 1.01 C ATOM 174 O GLY A 12 4.110 11.760 3.966 1.00 1.41 O ATOM 0 H GLY A 12 5.411 9.293 6.795 1.00 0.96 H new ATOM 0 HA2 GLY A 12 6.183 10.860 5.275 1.00 0.98 H new ATOM 0 HA3 GLY A 12 6.033 9.715 3.957 1.00 0.98 H new ATOM 178 N MET A 13 3.089 9.955 4.832 1.00 0.95 N ATOM 179 CA MET A 13 1.737 10.453 4.626 1.00 1.02 C ATOM 180 C MET A 13 1.450 11.606 5.587 1.00 0.98 C ATOM 181 O MET A 13 0.804 11.420 6.615 1.00 1.26 O ATOM 182 CB MET A 13 0.715 9.329 4.825 1.00 1.32 C ATOM 183 CG MET A 13 0.791 8.271 3.724 1.00 1.19 C ATOM 184 SD MET A 13 -0.483 6.989 3.830 1.00 1.67 S ATOM 185 CE MET A 13 -0.184 6.350 5.484 1.00 1.21 C ATOM 0 H MET A 13 3.126 9.022 5.242 1.00 0.95 H new ATOM 0 HA MET A 13 1.653 10.818 3.602 1.00 1.02 H new ATOM 0 HB2 MET A 13 0.883 8.856 5.792 1.00 1.32 H new ATOM 0 HB3 MET A 13 -0.289 9.754 4.848 1.00 1.32 H new ATOM 0 HG2 MET A 13 0.712 8.765 2.756 1.00 1.19 H new ATOM 0 HG3 MET A 13 1.771 7.796 3.760 1.00 1.19 H new ATOM 0 HE1 MET A 13 -0.710 5.404 5.609 1.00 1.21 H new ATOM 0 HE2 MET A 13 0.885 6.192 5.625 1.00 1.21 H new ATOM 0 HE3 MET A 13 -0.546 7.066 6.222 1.00 1.21 H new ATOM 195 N THR A 14 1.945 12.799 5.263 1.00 0.97 N ATOM 196 CA THR A 14 1.846 13.940 6.158 1.00 1.11 C ATOM 197 C THR A 14 0.421 14.492 6.273 1.00 1.14 C ATOM 198 O THR A 14 0.177 15.260 7.204 1.00 1.48 O ATOM 199 CB THR A 14 2.871 15.023 5.783 1.00 1.24 C ATOM 200 OG1 THR A 14 2.859 16.052 6.753 1.00 1.77 O ATOM 201 CG2 THR A 14 2.633 15.627 4.398 1.00 1.46 C ATOM 0 H THR A 14 2.420 12.996 4.382 1.00 0.97 H new ATOM 0 HA THR A 14 2.095 13.584 7.158 1.00 1.11 H new ATOM 0 HB THR A 14 3.844 14.533 5.754 1.00 1.24 H new ATOM 0 HG1 THR A 14 2.025 16.008 7.266 1.00 1.77 H new ATOM 0 HG21 THR A 14 3.391 16.384 4.196 1.00 1.46 H new ATOM 0 HG22 THR A 14 2.694 14.843 3.644 1.00 1.46 H new ATOM 0 HG23 THR A 14 1.645 16.086 4.366 1.00 1.46 H new ATOM 209 N CYS A 15 -0.501 14.161 5.357 1.00 0.90 N ATOM 210 CA CYS A 15 -1.874 14.647 5.423 1.00 0.85 C ATOM 211 C CYS A 15 -2.795 13.789 4.558 1.00 0.73 C ATOM 212 O CYS A 15 -2.341 12.938 3.789 1.00 0.70 O ATOM 213 CB CYS A 15 -1.925 16.119 4.991 1.00 0.92 C ATOM 214 SG CYS A 15 -1.587 16.392 3.235 1.00 0.97 S ATOM 0 H CYS A 15 -0.312 13.554 4.559 1.00 0.90 H new ATOM 0 HA CYS A 15 -2.226 14.573 6.452 1.00 0.85 H new ATOM 0 HB2 CYS A 15 -2.911 16.520 5.226 1.00 0.92 H new ATOM 0 HB3 CYS A 15 -1.202 16.684 5.580 1.00 0.92 H new ATOM 0 HG CYS A 15 -1.656 17.663 2.972 1.00 0.97 H new ATOM 219 N ALA A 16 -4.101 14.053 4.665 1.00 0.71 N ATOM 220 CA ALA A 16 -5.149 13.388 3.901 1.00 0.64 C ATOM 221 C ALA A 16 -4.811 13.338 2.409 1.00 0.61 C ATOM 222 O ALA A 16 -5.054 12.332 1.741 1.00 0.59 O ATOM 223 CB ALA A 16 -6.480 14.112 4.130 1.00 0.70 C ATOM 0 H ALA A 16 -4.464 14.758 5.307 1.00 0.71 H new ATOM 0 HA ALA A 16 -5.231 12.358 4.247 1.00 0.64 H new ATOM 0 HB1 ALA A 16 -7.266 13.617 3.560 1.00 0.70 H new ATOM 0 HB2 ALA A 16 -6.730 14.087 5.191 1.00 0.70 H new ATOM 0 HB3 ALA A 16 -6.392 15.148 3.803 1.00 0.70 H new ATOM 229 N SER A 17 -4.266 14.437 1.880 1.00 0.66 N ATOM 230 CA SER A 17 -3.878 14.548 0.485 1.00 0.70 C ATOM 231 C SER A 17 -2.808 13.524 0.099 1.00 0.69 C ATOM 232 O SER A 17 -2.758 13.123 -1.059 1.00 0.82 O ATOM 233 CB SER A 17 -3.425 15.978 0.187 1.00 0.91 C ATOM 234 OG SER A 17 -4.374 16.886 0.717 1.00 1.62 O ATOM 0 H SER A 17 -4.083 15.282 2.422 1.00 0.66 H new ATOM 0 HA SER A 17 -4.749 14.321 -0.129 1.00 0.70 H new ATOM 0 HB2 SER A 17 -2.444 16.161 0.626 1.00 0.91 H new ATOM 0 HB3 SER A 17 -3.325 16.124 -0.889 1.00 0.91 H new ATOM 0 HG SER A 17 -4.088 17.804 0.530 1.00 1.62 H new ATOM 240 N CYS A 18 -1.948 13.099 1.029 1.00 0.65 N ATOM 241 CA CYS A 18 -1.114 11.926 0.814 1.00 0.61 C ATOM 242 C CYS A 18 -1.967 10.659 0.874 1.00 0.54 C ATOM 243 O CYS A 18 -1.975 9.857 -0.061 1.00 0.55 O ATOM 244 CB CYS A 18 0.011 11.873 1.847 1.00 0.69 C ATOM 245 SG CYS A 18 1.078 13.335 1.908 1.00 0.81 S ATOM 0 H CYS A 18 -1.815 13.552 1.933 1.00 0.65 H new ATOM 0 HA CYS A 18 -0.661 11.992 -0.175 1.00 0.61 H new ATOM 0 HB2 CYS A 18 -0.430 11.725 2.833 1.00 0.69 H new ATOM 0 HB3 CYS A 18 0.630 11.000 1.640 1.00 0.69 H new ATOM 0 HG CYS A 18 2.272 12.985 2.284 1.00 0.81 H new ATOM 250 N VAL A 19 -2.666 10.480 2.000 1.00 0.55 N ATOM 251 CA VAL A 19 -3.427 9.275 2.321 1.00 0.57 C ATOM 252 C VAL A 19 -4.225 8.795 1.103 1.00 0.45 C ATOM 253 O VAL A 19 -3.987 7.701 0.587 1.00 0.49 O ATOM 254 CB VAL A 19 -4.325 9.539 3.550 1.00 0.70 C ATOM 255 CG1 VAL A 19 -5.265 8.389 3.924 1.00 0.85 C ATOM 256 CG2 VAL A 19 -3.478 9.824 4.796 1.00 0.90 C ATOM 0 H VAL A 19 -2.717 11.190 2.730 1.00 0.55 H new ATOM 0 HA VAL A 19 -2.741 8.468 2.579 1.00 0.57 H new ATOM 0 HB VAL A 19 -4.929 10.394 3.246 1.00 0.70 H new ATOM 0 HG11 VAL A 19 -5.853 8.669 4.798 1.00 0.85 H new ATOM 0 HG12 VAL A 19 -5.933 8.179 3.089 1.00 0.85 H new ATOM 0 HG13 VAL A 19 -4.678 7.499 4.152 1.00 0.85 H new ATOM 0 HG21 VAL A 19 -4.133 10.007 5.648 1.00 0.90 H new ATOM 0 HG22 VAL A 19 -2.840 8.966 5.007 1.00 0.90 H new ATOM 0 HG23 VAL A 19 -2.857 10.703 4.621 1.00 0.90 H new ATOM 266 N HIS A 20 -5.160 9.619 0.621 1.00 0.43 N ATOM 267 CA HIS A 20 -6.033 9.195 -0.467 1.00 0.49 C ATOM 268 C HIS A 20 -5.274 9.072 -1.795 1.00 0.46 C ATOM 269 O HIS A 20 -5.683 8.321 -2.679 1.00 0.53 O ATOM 270 CB HIS A 20 -7.278 10.091 -0.566 1.00 0.60 C ATOM 271 CG HIS A 20 -7.123 11.384 -1.330 1.00 0.59 C ATOM 272 ND1 HIS A 20 -8.066 11.934 -2.169 1.00 0.74 N ATOM 273 CD2 HIS A 20 -6.043 12.226 -1.325 1.00 0.67 C ATOM 274 CE1 HIS A 20 -7.559 13.079 -2.657 1.00 0.79 C ATOM 275 NE2 HIS A 20 -6.327 13.299 -2.174 1.00 0.82 N ATOM 0 H HIS A 20 -5.327 10.566 0.962 1.00 0.43 H new ATOM 0 HA HIS A 20 -6.391 8.192 -0.235 1.00 0.49 H new ATOM 0 HB2 HIS A 20 -8.077 9.514 -1.032 1.00 0.60 H new ATOM 0 HB3 HIS A 20 -7.606 10.330 0.445 1.00 0.60 H new ATOM 0 HD2 HIS A 20 -5.131 12.085 -0.763 1.00 0.67 H new ATOM 0 HE1 HIS A 20 -8.074 13.733 -3.345 1.00 0.79 H new ATOM 0 HE2 HIS A 20 -5.719 14.091 -2.384 1.00 0.82 H new ATOM 283 N LYS A 21 -4.168 9.806 -1.951 1.00 0.43 N ATOM 284 CA LYS A 21 -3.371 9.784 -3.164 1.00 0.47 C ATOM 285 C LYS A 21 -2.705 8.419 -3.302 1.00 0.40 C ATOM 286 O LYS A 21 -2.669 7.875 -4.405 1.00 0.47 O ATOM 287 CB LYS A 21 -2.374 10.948 -3.144 1.00 0.61 C ATOM 288 CG LYS A 21 -1.400 10.996 -4.324 1.00 0.71 C ATOM 289 CD LYS A 21 -0.477 12.205 -4.111 1.00 1.07 C ATOM 290 CE LYS A 21 0.592 12.289 -5.208 1.00 1.95 C ATOM 291 NZ LYS A 21 1.538 13.399 -4.969 1.00 2.90 N ATOM 0 H LYS A 21 -3.806 10.432 -1.232 1.00 0.43 H new ATOM 0 HA LYS A 21 -3.997 9.924 -4.046 1.00 0.47 H new ATOM 0 HB2 LYS A 21 -2.933 11.883 -3.118 1.00 0.61 H new ATOM 0 HB3 LYS A 21 -1.798 10.895 -2.220 1.00 0.61 H new ATOM 0 HG2 LYS A 21 -0.819 10.075 -4.380 1.00 0.71 H new ATOM 0 HG3 LYS A 21 -1.942 11.088 -5.265 1.00 0.71 H new ATOM 0 HD2 LYS A 21 -1.069 13.121 -4.106 1.00 1.07 H new ATOM 0 HD3 LYS A 21 0.004 12.131 -3.136 1.00 1.07 H new ATOM 0 HE2 LYS A 21 1.140 11.348 -5.254 1.00 1.95 H new ATOM 0 HE3 LYS A 21 0.110 12.425 -6.176 1.00 1.95 H new ATOM 0 HZ1 LYS A 21 2.245 13.423 -5.731 1.00 2.90 H new ATOM 0 HZ2 LYS A 21 1.019 14.300 -4.950 1.00 2.90 H new ATOM 0 HZ3 LYS A 21 2.017 13.256 -4.057 1.00 2.90 H new ATOM 305 N ILE A 22 -2.197 7.852 -2.201 1.00 0.34 N ATOM 306 CA ILE A 22 -1.670 6.492 -2.248 1.00 0.36 C ATOM 307 C ILE A 22 -2.744 5.546 -2.796 1.00 0.42 C ATOM 308 O ILE A 22 -2.523 4.924 -3.833 1.00 0.49 O ATOM 309 CB ILE A 22 -1.094 6.033 -0.895 1.00 0.42 C ATOM 310 CG1 ILE A 22 0.084 6.940 -0.499 1.00 0.43 C ATOM 311 CG2 ILE A 22 -0.631 4.571 -1.008 1.00 0.60 C ATOM 312 CD1 ILE A 22 0.908 6.396 0.671 1.00 0.87 C ATOM 0 H ILE A 22 -2.142 8.305 -1.289 1.00 0.34 H new ATOM 0 HA ILE A 22 -0.821 6.471 -2.931 1.00 0.36 H new ATOM 0 HB ILE A 22 -1.862 6.103 -0.125 1.00 0.42 H new ATOM 0 HG12 ILE A 22 0.737 7.072 -1.362 1.00 0.43 H new ATOM 0 HG13 ILE A 22 -0.299 7.926 -0.236 1.00 0.43 H new ATOM 0 HG21 ILE A 22 -0.223 4.244 -0.052 1.00 0.60 H new ATOM 0 HG22 ILE A 22 -1.479 3.940 -1.276 1.00 0.60 H new ATOM 0 HG23 ILE A 22 0.137 4.491 -1.777 1.00 0.60 H new ATOM 0 HD11 ILE A 22 1.721 7.086 0.895 1.00 0.87 H new ATOM 0 HD12 ILE A 22 0.269 6.290 1.548 1.00 0.87 H new ATOM 0 HD13 ILE A 22 1.321 5.423 0.404 1.00 0.87 H new ATOM 324 N GLU A 23 -3.907 5.455 -2.145 1.00 0.48 N ATOM 325 CA GLU A 23 -4.994 4.577 -2.573 1.00 0.59 C ATOM 326 C GLU A 23 -5.358 4.814 -4.041 1.00 0.57 C ATOM 327 O GLU A 23 -5.404 3.878 -4.841 1.00 0.64 O ATOM 328 CB GLU A 23 -6.207 4.800 -1.663 1.00 0.70 C ATOM 329 CG GLU A 23 -5.920 4.246 -0.263 1.00 1.55 C ATOM 330 CD GLU A 23 -6.919 4.710 0.790 1.00 2.40 C ATOM 331 OE1 GLU A 23 -7.771 5.557 0.456 1.00 2.90 O ATOM 332 OE2 GLU A 23 -6.788 4.208 1.930 1.00 3.72 O ATOM 0 H GLU A 23 -4.120 5.991 -1.304 1.00 0.48 H new ATOM 0 HA GLU A 23 -4.666 3.541 -2.490 1.00 0.59 H new ATOM 0 HB2 GLU A 23 -6.436 5.864 -1.602 1.00 0.70 H new ATOM 0 HB3 GLU A 23 -7.084 4.309 -2.085 1.00 0.70 H new ATOM 0 HG2 GLU A 23 -5.926 3.157 -0.303 1.00 1.55 H new ATOM 0 HG3 GLU A 23 -4.918 4.548 0.040 1.00 1.55 H new ATOM 339 N SER A 24 -5.591 6.080 -4.391 1.00 0.53 N ATOM 340 CA SER A 24 -5.915 6.507 -5.744 1.00 0.62 C ATOM 341 C SER A 24 -4.850 6.038 -6.744 1.00 0.64 C ATOM 342 O SER A 24 -5.174 5.661 -7.869 1.00 0.83 O ATOM 343 CB SER A 24 -6.074 8.032 -5.761 1.00 0.70 C ATOM 344 OG SER A 24 -6.565 8.480 -7.009 1.00 0.95 O ATOM 0 H SER A 24 -5.558 6.850 -3.723 1.00 0.53 H new ATOM 0 HA SER A 24 -6.855 6.050 -6.053 1.00 0.62 H new ATOM 0 HB2 SER A 24 -6.756 8.338 -4.968 1.00 0.70 H new ATOM 0 HB3 SER A 24 -5.113 8.503 -5.555 1.00 0.70 H new ATOM 0 HG SER A 24 -6.659 9.455 -6.993 1.00 0.95 H new ATOM 350 N SER A 25 -3.574 6.048 -6.349 1.00 0.57 N ATOM 351 CA SER A 25 -2.508 5.581 -7.214 1.00 0.62 C ATOM 352 C SER A 25 -2.625 4.064 -7.318 1.00 0.57 C ATOM 353 O SER A 25 -2.788 3.511 -8.402 1.00 0.69 O ATOM 354 CB SER A 25 -1.146 6.038 -6.671 1.00 0.70 C ATOM 355 OG SER A 25 -0.127 5.768 -7.612 1.00 1.45 O ATOM 0 H SER A 25 -3.263 6.376 -5.435 1.00 0.57 H new ATOM 0 HA SER A 25 -2.593 6.006 -8.214 1.00 0.62 H new ATOM 0 HB2 SER A 25 -1.174 7.105 -6.451 1.00 0.70 H new ATOM 0 HB3 SER A 25 -0.930 5.525 -5.734 1.00 0.70 H new ATOM 0 HG SER A 25 0.310 6.606 -7.871 1.00 1.45 H new ATOM 361 N LEU A 26 -2.569 3.392 -6.171 1.00 0.55 N ATOM 362 CA LEU A 26 -2.550 1.949 -6.079 1.00 0.61 C ATOM 363 C LEU A 26 -3.682 1.307 -6.881 1.00 0.62 C ATOM 364 O LEU A 26 -3.440 0.405 -7.678 1.00 0.67 O ATOM 365 CB LEU A 26 -2.626 1.525 -4.614 1.00 0.70 C ATOM 366 CG LEU A 26 -1.346 1.726 -3.792 1.00 0.89 C ATOM 367 CD1 LEU A 26 -1.654 1.367 -2.334 1.00 2.60 C ATOM 368 CD2 LEU A 26 -0.192 0.836 -4.271 1.00 1.68 C ATOM 0 H LEU A 26 -2.535 3.854 -5.262 1.00 0.55 H new ATOM 0 HA LEU A 26 -1.613 1.599 -6.512 1.00 0.61 H new ATOM 0 HB2 LEU A 26 -3.433 2.081 -4.136 1.00 0.70 H new ATOM 0 HB3 LEU A 26 -2.898 0.470 -4.575 1.00 0.70 H new ATOM 0 HG LEU A 26 -1.035 2.765 -3.905 1.00 0.89 H new ATOM 0 HD11 LEU A 26 -0.758 1.502 -1.729 1.00 2.60 H new ATOM 0 HD12 LEU A 26 -2.446 2.015 -1.959 1.00 2.60 H new ATOM 0 HD13 LEU A 26 -1.978 0.328 -2.276 1.00 2.60 H new ATOM 0 HD21 LEU A 26 0.688 1.019 -3.655 1.00 1.68 H new ATOM 0 HD22 LEU A 26 -0.482 -0.211 -4.188 1.00 1.68 H new ATOM 0 HD23 LEU A 26 0.039 1.067 -5.311 1.00 1.68 H new ATOM 380 N THR A 27 -4.921 1.769 -6.708 1.00 0.64 N ATOM 381 CA THR A 27 -6.053 1.159 -7.399 1.00 0.74 C ATOM 382 C THR A 27 -5.878 1.151 -8.931 1.00 0.87 C ATOM 383 O THR A 27 -6.533 0.368 -9.619 1.00 1.29 O ATOM 384 CB THR A 27 -7.370 1.786 -6.909 1.00 0.88 C ATOM 385 OG1 THR A 27 -8.480 1.000 -7.288 1.00 2.67 O ATOM 386 CG2 THR A 27 -7.576 3.212 -7.419 1.00 2.56 C ATOM 0 H THR A 27 -5.163 2.554 -6.103 1.00 0.64 H new ATOM 0 HA THR A 27 -6.096 0.101 -7.139 1.00 0.74 H new ATOM 0 HB THR A 27 -7.293 1.823 -5.822 1.00 0.88 H new ATOM 0 HG1 THR A 27 -9.304 1.419 -6.963 1.00 2.67 H new ATOM 0 HG21 THR A 27 -8.521 3.601 -7.040 1.00 2.56 H new ATOM 0 HG22 THR A 27 -6.759 3.844 -7.072 1.00 2.56 H new ATOM 0 HG23 THR A 27 -7.595 3.209 -8.509 1.00 2.56 H new ATOM 394 N LYS A 28 -4.974 1.974 -9.486 1.00 0.87 N ATOM 395 CA LYS A 28 -4.687 1.952 -10.912 1.00 0.93 C ATOM 396 C LYS A 28 -4.048 0.633 -11.357 1.00 0.93 C ATOM 397 O LYS A 28 -4.235 0.224 -12.501 1.00 1.08 O ATOM 398 CB LYS A 28 -3.877 3.189 -11.327 1.00 1.03 C ATOM 399 CG LYS A 28 -2.347 3.104 -11.191 1.00 2.01 C ATOM 400 CD LYS A 28 -1.677 2.792 -12.538 1.00 3.26 C ATOM 401 CE LYS A 28 -0.153 2.918 -12.415 1.00 4.54 C ATOM 402 NZ LYS A 28 0.531 2.687 -13.705 1.00 5.76 N ATOM 0 H LYS A 28 -4.433 2.661 -8.960 1.00 0.87 H new ATOM 0 HA LYS A 28 -5.636 2.003 -11.445 1.00 0.93 H new ATOM 0 HB2 LYS A 28 -4.112 3.414 -12.367 1.00 1.03 H new ATOM 0 HB3 LYS A 28 -4.223 4.035 -10.732 1.00 1.03 H new ATOM 0 HG2 LYS A 28 -1.963 4.047 -10.802 1.00 2.01 H new ATOM 0 HG3 LYS A 28 -2.088 2.331 -10.467 1.00 2.01 H new ATOM 0 HD2 LYS A 28 -1.941 1.784 -12.859 1.00 3.26 H new ATOM 0 HD3 LYS A 28 -2.045 3.476 -13.302 1.00 3.26 H new ATOM 0 HE2 LYS A 28 0.099 3.912 -12.044 1.00 4.54 H new ATOM 0 HE3 LYS A 28 0.211 2.201 -11.679 1.00 4.54 H new ATOM 0 HZ1 LYS A 28 1.558 2.782 -13.575 1.00 5.76 H new ATOM 0 HZ2 LYS A 28 0.312 1.730 -14.047 1.00 5.76 H new ATOM 0 HZ3 LYS A 28 0.204 3.387 -14.401 1.00 5.76 H new ATOM 416 N HIS A 29 -3.281 -0.037 -10.486 1.00 0.83 N ATOM 417 CA HIS A 29 -2.815 -1.384 -10.787 1.00 0.82 C ATOM 418 C HIS A 29 -3.967 -2.327 -10.453 1.00 0.91 C ATOM 419 O HIS A 29 -4.329 -2.468 -9.286 1.00 1.74 O ATOM 420 CB HIS A 29 -1.550 -1.777 -10.009 1.00 0.95 C ATOM 421 CG HIS A 29 -0.604 -0.661 -9.655 1.00 0.93 C ATOM 422 ND1 HIS A 29 0.513 -0.267 -10.357 1.00 1.55 N ATOM 423 CD2 HIS A 29 -0.547 -0.054 -8.434 1.00 1.19 C ATOM 424 CE1 HIS A 29 1.183 0.603 -9.579 1.00 1.51 C ATOM 425 NE2 HIS A 29 0.572 0.771 -8.399 1.00 1.30 N ATOM 0 H HIS A 29 -2.978 0.330 -9.584 1.00 0.83 H new ATOM 0 HA HIS A 29 -2.531 -1.441 -11.838 1.00 0.82 H new ATOM 0 HB2 HIS A 29 -1.857 -2.270 -9.086 1.00 0.95 H new ATOM 0 HB3 HIS A 29 -1.003 -2.514 -10.597 1.00 0.95 H new ATOM 0 HD1 HIS A 29 0.782 -0.576 -11.291 1.00 1.55 H new ATOM 0 HD2 HIS A 29 -1.253 -0.191 -7.629 1.00 1.19 H new ATOM 0 HE1 HIS A 29 2.096 1.102 -9.869 1.00 1.51 H new ATOM 433 N ARG A 30 -4.547 -2.975 -11.464 1.00 0.79 N ATOM 434 CA ARG A 30 -5.746 -3.788 -11.285 1.00 0.89 C ATOM 435 C ARG A 30 -5.564 -4.878 -10.218 1.00 1.11 C ATOM 436 O ARG A 30 -6.536 -5.301 -9.599 1.00 2.05 O ATOM 437 CB ARG A 30 -6.170 -4.375 -12.639 1.00 1.21 C ATOM 438 CG ARG A 30 -7.612 -4.900 -12.668 1.00 2.46 C ATOM 439 CD ARG A 30 -8.632 -3.786 -12.405 1.00 3.54 C ATOM 440 NE ARG A 30 -9.997 -4.201 -12.745 1.00 4.45 N ATOM 441 CZ ARG A 30 -11.070 -3.396 -12.696 1.00 5.49 C ATOM 442 NH1 ARG A 30 -10.931 -2.129 -12.293 1.00 6.08 N ATOM 443 NH2 ARG A 30 -12.273 -3.857 -13.054 1.00 6.58 N ATOM 0 H ARG A 30 -4.200 -2.950 -12.423 1.00 0.79 H new ATOM 0 HA ARG A 30 -6.544 -3.145 -10.913 1.00 0.89 H new ATOM 0 HB2 ARG A 30 -6.058 -3.609 -13.407 1.00 1.21 H new ATOM 0 HB3 ARG A 30 -5.493 -5.189 -12.899 1.00 1.21 H new ATOM 0 HG2 ARG A 30 -7.813 -5.355 -13.638 1.00 2.46 H new ATOM 0 HG3 ARG A 30 -7.728 -5.683 -11.919 1.00 2.46 H new ATOM 0 HD2 ARG A 30 -8.592 -3.498 -11.355 1.00 3.54 H new ATOM 0 HD3 ARG A 30 -8.365 -2.905 -12.988 1.00 3.54 H new ATOM 0 HE ARG A 30 -10.141 -5.167 -13.039 1.00 4.45 H new ATOM 0 HH11 ARG A 30 -10.012 -1.777 -12.024 1.00 6.08 H new ATOM 0 HH12 ARG A 30 -11.744 -1.514 -12.254 1.00 6.08 H new ATOM 0 HH21 ARG A 30 -12.377 -4.823 -13.365 1.00 6.58 H new ATOM 0 HH22 ARG A 30 -13.087 -3.243 -13.016 1.00 6.58 H new ATOM 457 N GLY A 31 -4.321 -5.318 -9.997 1.00 0.83 N ATOM 458 CA GLY A 31 -3.978 -6.297 -8.977 1.00 1.00 C ATOM 459 C GLY A 31 -4.316 -5.840 -7.557 1.00 1.02 C ATOM 460 O GLY A 31 -4.454 -6.680 -6.671 1.00 1.37 O ATOM 0 H GLY A 31 -3.516 -4.995 -10.534 1.00 0.83 H new ATOM 0 HA2 GLY A 31 -4.505 -7.228 -9.186 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -2.911 -6.514 -9.037 1.00 1.00 H new ATOM 464 N ILE A 32 -4.438 -4.531 -7.310 1.00 0.97 N ATOM 465 CA ILE A 32 -4.879 -4.020 -6.024 1.00 1.08 C ATOM 466 C ILE A 32 -6.402 -4.149 -5.982 1.00 1.14 C ATOM 467 O ILE A 32 -7.117 -3.295 -6.503 1.00 1.78 O ATOM 468 CB ILE A 32 -4.407 -2.565 -5.830 1.00 1.14 C ATOM 469 CG1 ILE A 32 -2.905 -2.382 -6.081 1.00 2.19 C ATOM 470 CG2 ILE A 32 -4.768 -2.087 -4.421 1.00 2.58 C ATOM 471 CD1 ILE A 32 -2.004 -3.120 -5.099 1.00 4.13 C ATOM 0 H ILE A 32 -4.233 -3.806 -7.997 1.00 0.97 H new ATOM 0 HA ILE A 32 -4.445 -4.590 -5.202 1.00 1.08 H new ATOM 0 HB ILE A 32 -4.924 -1.960 -6.575 1.00 1.14 H new ATOM 0 HG12 ILE A 32 -2.675 -2.721 -7.091 1.00 2.19 H new ATOM 0 HG13 ILE A 32 -2.670 -1.318 -6.041 1.00 2.19 H new ATOM 0 HG21 ILE A 32 -4.432 -1.058 -4.289 1.00 2.58 H new ATOM 0 HG22 ILE A 32 -5.848 -2.137 -4.286 1.00 2.58 H new ATOM 0 HG23 ILE A 32 -4.280 -2.725 -3.684 1.00 2.58 H new ATOM 0 HD11 ILE A 32 -0.960 -2.934 -5.352 1.00 4.13 H new ATOM 0 HD12 ILE A 32 -2.201 -2.765 -4.087 1.00 4.13 H new ATOM 0 HD13 ILE A 32 -2.205 -4.190 -5.154 1.00 4.13 H new ATOM 483 N LEU A 33 -6.902 -5.213 -5.352 1.00 0.67 N ATOM 484 CA LEU A 33 -8.327 -5.509 -5.312 1.00 0.70 C ATOM 485 C LEU A 33 -8.996 -4.599 -4.283 1.00 0.65 C ATOM 486 O LEU A 33 -10.121 -4.150 -4.485 1.00 0.75 O ATOM 487 CB LEU A 33 -8.565 -6.990 -4.972 1.00 0.79 C ATOM 488 CG LEU A 33 -7.698 -7.972 -5.781 1.00 1.07 C ATOM 489 CD1 LEU A 33 -8.016 -9.409 -5.353 1.00 1.64 C ATOM 490 CD2 LEU A 33 -7.915 -7.825 -7.291 1.00 1.81 C ATOM 0 H LEU A 33 -6.326 -5.892 -4.855 1.00 0.67 H new ATOM 0 HA LEU A 33 -8.764 -5.323 -6.293 1.00 0.70 H new ATOM 0 HB2 LEU A 33 -8.372 -7.143 -3.910 1.00 0.79 H new ATOM 0 HB3 LEU A 33 -9.616 -7.226 -5.142 1.00 0.79 H new ATOM 0 HG LEU A 33 -6.654 -7.739 -5.574 1.00 1.07 H new ATOM 0 HD11 LEU A 33 -7.402 -10.104 -5.926 1.00 1.64 H new ATOM 0 HD12 LEU A 33 -7.803 -9.528 -4.291 1.00 1.64 H new ATOM 0 HD13 LEU A 33 -9.070 -9.619 -5.537 1.00 1.64 H new ATOM 0 HD21 LEU A 33 -7.283 -8.538 -7.821 1.00 1.81 H new ATOM 0 HD22 LEU A 33 -8.961 -8.021 -7.529 1.00 1.81 H new ATOM 0 HD23 LEU A 33 -7.656 -6.812 -7.599 1.00 1.81 H new ATOM 502 N TYR A 34 -8.284 -4.292 -3.192 1.00 0.59 N ATOM 503 CA TYR A 34 -8.642 -3.222 -2.276 1.00 0.58 C ATOM 504 C TYR A 34 -7.363 -2.644 -1.680 1.00 0.50 C ATOM 505 O TYR A 34 -6.329 -3.314 -1.671 1.00 0.47 O ATOM 506 CB TYR A 34 -9.584 -3.734 -1.177 1.00 0.67 C ATOM 507 CG TYR A 34 -10.100 -2.662 -0.239 1.00 0.70 C ATOM 508 CD1 TYR A 34 -10.823 -1.567 -0.749 1.00 2.20 C ATOM 509 CD2 TYR A 34 -9.788 -2.717 1.132 1.00 1.91 C ATOM 510 CE1 TYR A 34 -11.170 -0.499 0.096 1.00 2.27 C ATOM 511 CE2 TYR A 34 -10.188 -1.676 1.986 1.00 1.97 C ATOM 512 CZ TYR A 34 -10.839 -0.547 1.460 1.00 1.02 C ATOM 513 OH TYR A 34 -11.153 0.491 2.285 1.00 1.29 O ATOM 0 H TYR A 34 -7.435 -4.790 -2.925 1.00 0.59 H new ATOM 0 HA TYR A 34 -9.176 -2.440 -2.815 1.00 0.58 H new ATOM 0 HB2 TYR A 34 -10.435 -4.227 -1.647 1.00 0.67 H new ATOM 0 HB3 TYR A 34 -9.061 -4.490 -0.591 1.00 0.67 H new ATOM 0 HD1 TYR A 34 -11.111 -1.548 -1.790 1.00 2.20 H new ATOM 0 HD2 TYR A 34 -9.241 -3.560 1.528 1.00 1.91 H new ATOM 0 HE1 TYR A 34 -11.691 0.358 -0.303 1.00 2.27 H new ATOM 0 HE2 TYR A 34 -9.995 -1.743 3.047 1.00 1.97 H new ATOM 0 HH TYR A 34 -11.075 0.202 3.218 1.00 1.29 H new ATOM 523 N CYS A 35 -7.447 -1.409 -1.183 1.00 0.54 N ATOM 524 CA CYS A 35 -6.402 -0.709 -0.456 1.00 0.51 C ATOM 525 C CYS A 35 -7.074 0.156 0.604 1.00 0.58 C ATOM 526 O CYS A 35 -8.134 0.728 0.363 1.00 0.97 O ATOM 527 CB CYS A 35 -5.492 0.102 -1.388 1.00 0.63 C ATOM 528 SG CYS A 35 -6.432 1.302 -2.387 1.00 2.35 S ATOM 0 H CYS A 35 -8.292 -0.846 -1.285 1.00 0.54 H new ATOM 0 HA CYS A 35 -5.739 -1.427 0.026 1.00 0.51 H new ATOM 0 HB2 CYS A 35 -4.745 0.630 -0.796 1.00 0.63 H new ATOM 0 HB3 CYS A 35 -4.953 -0.577 -2.049 1.00 0.63 H new ATOM 0 HG CYS A 35 -7.507 1.653 -1.746 1.00 2.35 H new ATOM 534 N SER A 36 -6.494 0.174 1.806 1.00 0.48 N ATOM 535 CA SER A 36 -6.855 1.071 2.890 1.00 0.66 C ATOM 536 C SER A 36 -5.554 1.459 3.582 1.00 0.59 C ATOM 537 O SER A 36 -4.993 0.631 4.308 1.00 0.68 O ATOM 538 CB SER A 36 -7.813 0.378 3.869 1.00 0.90 C ATOM 539 OG SER A 36 -7.953 1.120 5.075 1.00 1.77 O ATOM 0 H SER A 36 -5.734 -0.460 2.053 1.00 0.48 H new ATOM 0 HA SER A 36 -7.373 1.954 2.515 1.00 0.66 H new ATOM 0 HB2 SER A 36 -8.789 0.257 3.400 1.00 0.90 H new ATOM 0 HB3 SER A 36 -7.442 -0.621 4.096 1.00 0.90 H new ATOM 0 HG SER A 36 -8.570 0.653 5.676 1.00 1.77 H new ATOM 545 N VAL A 37 -5.087 2.691 3.396 1.00 0.66 N ATOM 546 CA VAL A 37 -3.977 3.235 4.164 1.00 0.61 C ATOM 547 C VAL A 37 -4.492 3.818 5.487 1.00 0.64 C ATOM 548 O VAL A 37 -5.699 3.907 5.705 1.00 0.90 O ATOM 549 CB VAL A 37 -3.190 4.265 3.342 1.00 0.85 C ATOM 550 CG1 VAL A 37 -2.550 3.655 2.091 1.00 1.41 C ATOM 551 CG2 VAL A 37 -4.063 5.441 2.921 1.00 1.71 C ATOM 0 H VAL A 37 -5.470 3.339 2.707 1.00 0.66 H new ATOM 0 HA VAL A 37 -3.281 2.431 4.403 1.00 0.61 H new ATOM 0 HB VAL A 37 -2.398 4.618 4.003 1.00 0.85 H new ATOM 0 HG11 VAL A 37 -2.006 4.427 1.547 1.00 1.41 H new ATOM 0 HG12 VAL A 37 -1.860 2.864 2.384 1.00 1.41 H new ATOM 0 HG13 VAL A 37 -3.328 3.239 1.450 1.00 1.41 H new ATOM 0 HG21 VAL A 37 -3.468 6.147 2.341 1.00 1.71 H new ATOM 0 HG22 VAL A 37 -4.892 5.079 2.312 1.00 1.71 H new ATOM 0 HG23 VAL A 37 -4.455 5.939 3.808 1.00 1.71 H new ATOM 561 N ALA A 38 -3.587 4.208 6.388 1.00 0.65 N ATOM 562 CA ALA A 38 -3.854 5.266 7.357 1.00 0.79 C ATOM 563 C ALA A 38 -2.534 5.854 7.826 1.00 0.86 C ATOM 564 O ALA A 38 -1.600 5.095 8.067 1.00 0.94 O ATOM 565 CB ALA A 38 -4.621 4.756 8.576 1.00 0.93 C ATOM 0 H ALA A 38 -2.655 3.800 6.464 1.00 0.65 H new ATOM 0 HA ALA A 38 -4.469 6.017 6.862 1.00 0.79 H new ATOM 0 HB1 ALA A 38 -4.795 5.580 9.267 1.00 0.93 H new ATOM 0 HB2 ALA A 38 -5.577 4.342 8.257 1.00 0.93 H new ATOM 0 HB3 ALA A 38 -4.038 3.981 9.075 1.00 0.93 H new ATOM 571 N LEU A 39 -2.478 7.175 8.019 1.00 0.94 N ATOM 572 CA LEU A 39 -1.374 7.819 8.726 1.00 0.97 C ATOM 573 C LEU A 39 -1.560 7.594 10.221 1.00 0.86 C ATOM 574 O LEU A 39 -0.599 7.316 10.929 1.00 0.85 O ATOM 575 CB LEU A 39 -1.219 9.302 8.326 1.00 1.26 C ATOM 576 CG LEU A 39 -2.261 10.296 8.879 1.00 1.11 C ATOM 577 CD1 LEU A 39 -1.886 10.835 10.269 1.00 2.11 C ATOM 578 CD2 LEU A 39 -2.348 11.521 7.957 1.00 1.18 C ATOM 0 H LEU A 39 -3.194 7.823 7.690 1.00 0.94 H new ATOM 0 HA LEU A 39 -0.426 7.366 8.436 1.00 0.97 H new ATOM 0 HB2 LEU A 39 -0.232 9.636 8.645 1.00 1.26 H new ATOM 0 HB3 LEU A 39 -1.240 9.362 7.238 1.00 1.26 H new ATOM 0 HG LEU A 39 -3.201 9.747 8.939 1.00 1.11 H new ATOM 0 HD11 LEU A 39 -2.654 11.530 10.609 1.00 2.11 H new ATOM 0 HD12 LEU A 39 -1.809 10.006 10.972 1.00 2.11 H new ATOM 0 HD13 LEU A 39 -0.928 11.352 10.212 1.00 2.11 H new ATOM 0 HD21 LEU A 39 -3.085 12.221 8.351 1.00 1.18 H new ATOM 0 HD22 LEU A 39 -1.375 12.009 7.907 1.00 1.18 H new ATOM 0 HD23 LEU A 39 -2.646 11.204 6.958 1.00 1.18 H new ATOM 590 N ALA A 40 -2.813 7.643 10.688 1.00 1.03 N ATOM 591 CA ALA A 40 -3.153 7.517 12.101 1.00 1.13 C ATOM 592 C ALA A 40 -2.584 6.224 12.677 1.00 1.00 C ATOM 593 O ALA A 40 -2.093 6.201 13.802 1.00 1.17 O ATOM 594 CB ALA A 40 -4.674 7.570 12.269 1.00 1.46 C ATOM 0 H ALA A 40 -3.625 7.773 10.085 1.00 1.03 H new ATOM 0 HA ALA A 40 -2.710 8.347 12.651 1.00 1.13 H new ATOM 0 HB1 ALA A 40 -4.927 7.476 13.325 1.00 1.46 H new ATOM 0 HB2 ALA A 40 -5.049 8.520 11.889 1.00 1.46 H new ATOM 0 HB3 ALA A 40 -5.130 6.752 11.712 1.00 1.46 H new ATOM 600 N THR A 41 -2.641 5.159 11.875 1.00 0.89 N ATOM 601 CA THR A 41 -2.163 3.835 12.234 1.00 0.90 C ATOM 602 C THR A 41 -0.938 3.468 11.395 1.00 0.79 C ATOM 603 O THR A 41 -0.566 2.302 11.334 1.00 1.34 O ATOM 604 CB THR A 41 -3.337 2.855 12.049 1.00 1.24 C ATOM 605 OG1 THR A 41 -4.541 3.475 12.463 1.00 2.41 O ATOM 606 CG2 THR A 41 -3.170 1.535 12.802 1.00 1.44 C ATOM 0 H THR A 41 -3.033 5.201 10.934 1.00 0.89 H new ATOM 0 HA THR A 41 -1.834 3.795 13.272 1.00 0.90 H new ATOM 0 HB THR A 41 -3.362 2.608 10.988 1.00 1.24 H new ATOM 0 HG1 THR A 41 -5.288 2.852 12.343 1.00 2.41 H new ATOM 0 HG21 THR A 41 -4.038 0.900 12.621 1.00 1.44 H new ATOM 0 HG22 THR A 41 -2.270 1.028 12.453 1.00 1.44 H new ATOM 0 HG23 THR A 41 -3.083 1.734 13.870 1.00 1.44 H new ATOM 614 N ASN A 42 -0.333 4.460 10.729 1.00 0.60 N ATOM 615 CA ASN A 42 0.807 4.329 9.831 1.00 0.66 C ATOM 616 C ASN A 42 0.836 3.011 9.077 1.00 0.70 C ATOM 617 O ASN A 42 1.850 2.327 9.099 1.00 0.95 O ATOM 618 CB ASN A 42 2.108 4.568 10.618 1.00 0.86 C ATOM 619 CG ASN A 42 2.299 6.054 10.823 1.00 0.71 C ATOM 620 OD1 ASN A 42 2.307 6.558 11.941 1.00 1.47 O ATOM 621 ND2 ASN A 42 2.409 6.763 9.710 1.00 1.57 N ATOM 0 H ASN A 42 -0.648 5.427 10.811 1.00 0.60 H new ATOM 0 HA ASN A 42 0.707 5.091 9.058 1.00 0.66 H new ATOM 0 HB2 ASN A 42 2.064 4.059 11.581 1.00 0.86 H new ATOM 0 HB3 ASN A 42 2.957 4.151 10.076 1.00 0.86 H new ATOM 0 HD21 ASN A 42 2.506 7.777 9.759 1.00 1.57 H new ATOM 0 HD22 ASN A 42 2.397 6.295 8.804 1.00 1.57 H new ATOM 628 N LYS A 43 -0.253 2.656 8.393 1.00 0.56 N ATOM 629 CA LYS A 43 -0.414 1.342 7.793 1.00 0.58 C ATOM 630 C LYS A 43 -0.875 1.447 6.357 1.00 0.54 C ATOM 631 O LYS A 43 -1.373 2.491 5.928 1.00 0.69 O ATOM 632 CB LYS A 43 -1.372 0.458 8.613 1.00 0.72 C ATOM 633 CG LYS A 43 -2.795 1.018 8.809 1.00 1.41 C ATOM 634 CD LYS A 43 -3.720 0.739 7.614 1.00 1.26 C ATOM 635 CE LYS A 43 -5.204 1.034 7.883 1.00 1.75 C ATOM 636 NZ LYS A 43 -6.046 0.505 6.789 1.00 2.74 N ATOM 0 H LYS A 43 -1.047 3.278 8.242 1.00 0.56 H new ATOM 0 HA LYS A 43 0.565 0.863 7.798 1.00 0.58 H new ATOM 0 HB2 LYS A 43 -1.448 -0.514 8.125 1.00 0.72 H new ATOM 0 HB3 LYS A 43 -0.930 0.288 9.595 1.00 0.72 H new ATOM 0 HG2 LYS A 43 -3.230 0.582 9.708 1.00 1.41 H new ATOM 0 HG3 LYS A 43 -2.737 2.094 8.973 1.00 1.41 H new ATOM 0 HD2 LYS A 43 -3.390 1.339 6.766 1.00 1.26 H new ATOM 0 HD3 LYS A 43 -3.616 -0.307 7.325 1.00 1.26 H new ATOM 0 HE2 LYS A 43 -5.504 0.585 8.830 1.00 1.75 H new ATOM 0 HE3 LYS A 43 -5.355 2.109 7.978 1.00 1.75 H new ATOM 0 HZ1 LYS A 43 -6.718 1.237 6.483 1.00 2.74 H new ATOM 0 HZ2 LYS A 43 -5.442 0.232 5.987 1.00 2.74 H new ATOM 0 HZ3 LYS A 43 -6.571 -0.327 7.126 1.00 2.74 H new ATOM 650 N ALA A 44 -0.811 0.304 5.676 1.00 0.56 N ATOM 651 CA ALA A 44 -1.692 -0.029 4.583 1.00 0.59 C ATOM 652 C ALA A 44 -2.070 -1.497 4.675 1.00 0.69 C ATOM 653 O ALA A 44 -1.219 -2.338 4.955 1.00 1.13 O ATOM 654 CB ALA A 44 -1.079 0.341 3.238 1.00 0.62 C ATOM 0 H ALA A 44 -0.127 -0.425 5.881 1.00 0.56 H new ATOM 0 HA ALA A 44 -2.606 0.561 4.660 1.00 0.59 H new ATOM 0 HB1 ALA A 44 -1.770 0.076 2.438 1.00 0.62 H new ATOM 0 HB2 ALA A 44 -0.885 1.413 3.209 1.00 0.62 H new ATOM 0 HB3 ALA A 44 -0.143 -0.201 3.103 1.00 0.62 H new ATOM 660 N HIS A 45 -3.362 -1.756 4.475 1.00 0.49 N ATOM 661 CA HIS A 45 -3.958 -3.063 4.271 1.00 0.54 C ATOM 662 C HIS A 45 -4.389 -3.055 2.817 1.00 0.54 C ATOM 663 O HIS A 45 -5.311 -2.327 2.444 1.00 0.61 O ATOM 664 CB HIS A 45 -5.110 -3.244 5.266 1.00 0.62 C ATOM 665 CG HIS A 45 -5.852 -4.548 5.130 1.00 0.70 C ATOM 666 ND1 HIS A 45 -5.798 -5.621 5.993 1.00 0.77 N ATOM 667 CD2 HIS A 45 -6.814 -4.817 4.195 1.00 1.10 C ATOM 668 CE1 HIS A 45 -6.729 -6.503 5.590 1.00 1.01 C ATOM 669 NE2 HIS A 45 -7.364 -6.069 4.486 1.00 1.28 N ATOM 0 H HIS A 45 -4.057 -1.010 4.451 1.00 0.49 H new ATOM 0 HA HIS A 45 -3.290 -3.905 4.452 1.00 0.54 H new ATOM 0 HB2 HIS A 45 -4.714 -3.169 6.279 1.00 0.62 H new ATOM 0 HB3 HIS A 45 -5.816 -2.423 5.139 1.00 0.62 H new ATOM 0 HD1 HIS A 45 -5.169 -5.726 6.789 1.00 0.77 H new ATOM 0 HD2 HIS A 45 -7.099 -4.174 3.375 1.00 1.10 H new ATOM 0 HE1 HIS A 45 -6.940 -7.438 6.088 1.00 1.01 H new ATOM 677 N ILE A 46 -3.653 -3.805 2.000 1.00 0.60 N ATOM 678 CA ILE A 46 -3.929 -4.032 0.603 1.00 0.61 C ATOM 679 C ILE A 46 -4.437 -5.462 0.506 1.00 0.69 C ATOM 680 O ILE A 46 -4.017 -6.349 1.248 1.00 1.05 O ATOM 681 CB ILE A 46 -2.668 -3.790 -0.252 1.00 0.67 C ATOM 682 CG1 ILE A 46 -2.496 -2.310 -0.629 1.00 1.43 C ATOM 683 CG2 ILE A 46 -2.726 -4.579 -1.568 1.00 1.51 C ATOM 684 CD1 ILE A 46 -2.262 -1.395 0.570 1.00 1.86 C ATOM 0 H ILE A 46 -2.813 -4.288 2.318 1.00 0.60 H new ATOM 0 HA ILE A 46 -4.676 -3.339 0.215 1.00 0.61 H new ATOM 0 HB ILE A 46 -1.832 -4.119 0.365 1.00 0.67 H new ATOM 0 HG12 ILE A 46 -1.656 -2.215 -1.317 1.00 1.43 H new ATOM 0 HG13 ILE A 46 -3.385 -1.974 -1.163 1.00 1.43 H new ATOM 0 HG21 ILE A 46 -1.823 -4.387 -2.148 1.00 1.51 H new ATOM 0 HG22 ILE A 46 -2.798 -5.645 -1.350 1.00 1.51 H new ATOM 0 HG23 ILE A 46 -3.599 -4.266 -2.142 1.00 1.51 H new ATOM 0 HD11 ILE A 46 -2.150 -0.367 0.226 1.00 1.86 H new ATOM 0 HD12 ILE A 46 -3.112 -1.460 1.249 1.00 1.86 H new ATOM 0 HD13 ILE A 46 -1.356 -1.704 1.092 1.00 1.86 H new ATOM 696 N LYS A 47 -5.347 -5.676 -0.430 1.00 0.52 N ATOM 697 CA LYS A 47 -5.822 -6.974 -0.841 1.00 0.65 C ATOM 698 C LYS A 47 -5.331 -7.147 -2.276 1.00 0.58 C ATOM 699 O LYS A 47 -5.953 -6.646 -3.210 1.00 0.91 O ATOM 700 CB LYS A 47 -7.343 -6.950 -0.711 1.00 0.83 C ATOM 701 CG LYS A 47 -7.823 -7.144 0.733 1.00 0.82 C ATOM 702 CD LYS A 47 -7.868 -8.637 1.071 1.00 1.04 C ATOM 703 CE LYS A 47 -8.233 -8.859 2.543 1.00 1.70 C ATOM 704 NZ LYS A 47 -8.271 -10.297 2.872 1.00 2.61 N ATOM 0 H LYS A 47 -5.790 -4.913 -0.942 1.00 0.52 H new ATOM 0 HA LYS A 47 -5.461 -7.813 -0.245 1.00 0.65 H new ATOM 0 HB2 LYS A 47 -7.720 -6.000 -1.089 1.00 0.83 H new ATOM 0 HB3 LYS A 47 -7.768 -7.734 -1.338 1.00 0.83 H new ATOM 0 HG2 LYS A 47 -7.154 -6.627 1.420 1.00 0.82 H new ATOM 0 HG3 LYS A 47 -8.812 -6.704 0.859 1.00 0.82 H new ATOM 0 HD2 LYS A 47 -8.598 -9.136 0.433 1.00 1.04 H new ATOM 0 HD3 LYS A 47 -6.899 -9.090 0.861 1.00 1.04 H new ATOM 0 HE2 LYS A 47 -7.506 -8.356 3.181 1.00 1.70 H new ATOM 0 HE3 LYS A 47 -9.204 -8.410 2.751 1.00 1.70 H new ATOM 0 HZ1 LYS A 47 -7.900 -10.443 3.833 1.00 2.61 H new ATOM 0 HZ2 LYS A 47 -9.252 -10.638 2.824 1.00 2.61 H new ATOM 0 HZ3 LYS A 47 -7.687 -10.824 2.192 1.00 2.61 H new ATOM 718 N TYR A 48 -4.162 -7.772 -2.419 1.00 0.71 N ATOM 719 CA TYR A 48 -3.466 -7.932 -3.689 1.00 0.78 C ATOM 720 C TYR A 48 -3.829 -9.237 -4.403 1.00 0.65 C ATOM 721 O TYR A 48 -4.095 -10.249 -3.756 1.00 0.85 O ATOM 722 CB TYR A 48 -1.943 -7.829 -3.490 1.00 1.16 C ATOM 723 CG TYR A 48 -1.181 -9.015 -2.903 1.00 1.29 C ATOM 724 CD1 TYR A 48 -1.747 -9.883 -1.945 1.00 2.74 C ATOM 725 CD2 TYR A 48 0.153 -9.222 -3.307 1.00 1.98 C ATOM 726 CE1 TYR A 48 -1.029 -11.001 -1.490 1.00 3.02 C ATOM 727 CE2 TYR A 48 0.883 -10.316 -2.819 1.00 2.16 C ATOM 728 CZ TYR A 48 0.279 -11.229 -1.942 1.00 2.02 C ATOM 729 OH TYR A 48 0.945 -12.361 -1.585 1.00 2.51 O ATOM 0 H TYR A 48 -3.663 -8.190 -1.633 1.00 0.71 H new ATOM 0 HA TYR A 48 -3.797 -7.118 -4.333 1.00 0.78 H new ATOM 0 HB2 TYR A 48 -1.501 -7.604 -4.461 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -1.755 -6.969 -2.847 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -2.737 -9.687 -1.560 1.00 2.74 H new ATOM 0 HD2 TYR A 48 0.617 -8.533 -3.998 1.00 1.98 H new ATOM 0 HE1 TYR A 48 -1.485 -11.686 -0.791 1.00 3.02 H new ATOM 0 HE2 TYR A 48 1.911 -10.455 -3.119 1.00 2.16 H new ATOM 0 HH TYR A 48 1.838 -12.356 -1.988 1.00 2.51 H new ATOM 739 N ASP A 49 -3.759 -9.216 -5.735 1.00 0.72 N ATOM 740 CA ASP A 49 -3.446 -10.391 -6.538 1.00 0.80 C ATOM 741 C ASP A 49 -1.915 -10.468 -6.647 1.00 0.79 C ATOM 742 O ASP A 49 -1.303 -9.472 -7.036 1.00 0.99 O ATOM 743 CB ASP A 49 -4.077 -10.248 -7.925 1.00 1.11 C ATOM 744 CG ASP A 49 -3.674 -11.394 -8.847 1.00 1.86 C ATOM 745 OD1 ASP A 49 -2.455 -11.525 -9.103 1.00 3.09 O ATOM 746 OD2 ASP A 49 -4.593 -12.116 -9.281 1.00 2.48 O ATOM 0 H ASP A 49 -3.920 -8.374 -6.288 1.00 0.72 H new ATOM 0 HA ASP A 49 -3.841 -11.299 -6.083 1.00 0.80 H new ATOM 0 HB2 ASP A 49 -5.163 -10.221 -7.830 1.00 1.11 H new ATOM 0 HB3 ASP A 49 -3.772 -9.300 -8.368 1.00 1.11 H new ATOM 751 N PRO A 50 -1.291 -11.607 -6.298 1.00 0.78 N ATOM 752 CA PRO A 50 0.153 -11.739 -6.187 1.00 0.78 C ATOM 753 C PRO A 50 0.867 -11.785 -7.542 1.00 1.11 C ATOM 754 O PRO A 50 2.078 -11.581 -7.584 1.00 1.82 O ATOM 755 CB PRO A 50 0.373 -13.049 -5.425 1.00 0.96 C ATOM 756 CG PRO A 50 -0.813 -13.895 -5.881 1.00 1.30 C ATOM 757 CD PRO A 50 -1.937 -12.862 -5.950 1.00 1.05 C ATOM 0 HA PRO A 50 0.572 -10.870 -5.680 1.00 0.78 H new ATOM 0 HB2 PRO A 50 1.326 -13.513 -5.681 1.00 0.96 H new ATOM 0 HB3 PRO A 50 0.372 -12.896 -4.346 1.00 0.96 H new ATOM 0 HG2 PRO A 50 -0.631 -14.364 -6.848 1.00 1.30 H new ATOM 0 HG3 PRO A 50 -1.038 -14.695 -5.176 1.00 1.30 H new ATOM 0 HD2 PRO A 50 -2.681 -13.141 -6.697 1.00 1.05 H new ATOM 0 HD3 PRO A 50 -2.457 -12.784 -4.995 1.00 1.05 H new ATOM 765 N GLU A 51 0.156 -12.102 -8.631 1.00 0.95 N ATOM 766 CA GLU A 51 0.751 -12.220 -9.954 1.00 1.19 C ATOM 767 C GLU A 51 0.628 -10.879 -10.672 1.00 1.26 C ATOM 768 O GLU A 51 1.586 -10.402 -11.277 1.00 1.81 O ATOM 769 CB GLU A 51 0.074 -13.349 -10.742 1.00 1.44 C ATOM 770 CG GLU A 51 0.365 -14.720 -10.112 1.00 1.87 C ATOM 771 CD GLU A 51 -0.166 -15.875 -10.955 1.00 2.25 C ATOM 772 OE1 GLU A 51 -0.054 -15.777 -12.196 1.00 3.44 O ATOM 773 OE2 GLU A 51 -0.654 -16.847 -10.339 1.00 2.62 O ATOM 0 H GLU A 51 -0.848 -12.283 -8.612 1.00 0.95 H new ATOM 0 HA GLU A 51 1.808 -12.474 -9.869 1.00 1.19 H new ATOM 0 HB2 GLU A 51 -1.003 -13.181 -10.771 1.00 1.44 H new ATOM 0 HB3 GLU A 51 0.426 -13.338 -11.773 1.00 1.44 H new ATOM 0 HG2 GLU A 51 1.441 -14.835 -9.981 1.00 1.87 H new ATOM 0 HG3 GLU A 51 -0.083 -14.763 -9.119 1.00 1.87 H new ATOM 780 N ILE A 52 -0.552 -10.260 -10.599 1.00 1.01 N ATOM 781 CA ILE A 52 -0.788 -8.963 -11.215 1.00 1.17 C ATOM 782 C ILE A 52 0.025 -7.891 -10.481 1.00 1.14 C ATOM 783 O ILE A 52 0.504 -6.951 -11.116 1.00 1.40 O ATOM 784 CB ILE A 52 -2.296 -8.643 -11.259 1.00 1.26 C ATOM 785 CG1 ILE A 52 -3.065 -9.756 -11.995 1.00 1.63 C ATOM 786 CG2 ILE A 52 -2.534 -7.298 -11.964 1.00 2.30 C ATOM 787 CD1 ILE A 52 -4.587 -9.591 -11.923 1.00 2.92 C ATOM 0 H ILE A 52 -1.363 -10.645 -10.114 1.00 1.01 H new ATOM 0 HA ILE A 52 -0.450 -8.982 -12.251 1.00 1.17 H new ATOM 0 HB ILE A 52 -2.661 -8.581 -10.234 1.00 1.26 H new ATOM 0 HG12 ILE A 52 -2.757 -9.770 -13.041 1.00 1.63 H new ATOM 0 HG13 ILE A 52 -2.791 -10.721 -11.569 1.00 1.63 H new ATOM 0 HG21 ILE A 52 -3.603 -7.084 -11.988 1.00 2.30 H new ATOM 0 HG22 ILE A 52 -2.018 -6.506 -11.421 1.00 2.30 H new ATOM 0 HG23 ILE A 52 -2.151 -7.349 -12.983 1.00 2.30 H new ATOM 0 HD11 ILE A 52 -5.067 -10.408 -12.461 1.00 2.92 H new ATOM 0 HD12 ILE A 52 -4.906 -9.606 -10.881 1.00 2.92 H new ATOM 0 HD13 ILE A 52 -4.872 -8.641 -12.376 1.00 2.92 H new ATOM 799 N ILE A 53 0.175 -8.011 -9.158 1.00 0.91 N ATOM 800 CA ILE A 53 0.968 -7.115 -8.337 1.00 0.94 C ATOM 801 C ILE A 53 1.874 -7.987 -7.469 1.00 0.77 C ATOM 802 O ILE A 53 1.397 -8.740 -6.624 1.00 1.21 O ATOM 803 CB ILE A 53 0.010 -6.206 -7.532 1.00 1.16 C ATOM 804 CG1 ILE A 53 -0.308 -4.912 -8.302 1.00 1.49 C ATOM 805 CG2 ILE A 53 0.491 -5.869 -6.118 1.00 1.33 C ATOM 806 CD1 ILE A 53 0.850 -3.905 -8.322 1.00 0.90 C ATOM 0 H ILE A 53 -0.268 -8.757 -8.622 1.00 0.91 H new ATOM 0 HA ILE A 53 1.605 -6.448 -8.918 1.00 0.94 H new ATOM 0 HB ILE A 53 -0.898 -6.797 -7.410 1.00 1.16 H new ATOM 0 HG12 ILE A 53 -0.574 -5.166 -9.328 1.00 1.49 H new ATOM 0 HG13 ILE A 53 -1.182 -4.439 -7.854 1.00 1.49 H new ATOM 0 HG21 ILE A 53 -0.242 -5.228 -5.627 1.00 1.33 H new ATOM 0 HG22 ILE A 53 0.610 -6.789 -5.545 1.00 1.33 H new ATOM 0 HG23 ILE A 53 1.448 -5.350 -6.173 1.00 1.33 H new ATOM 0 HD11 ILE A 53 0.552 -3.019 -8.882 1.00 0.90 H new ATOM 0 HD12 ILE A 53 1.102 -3.620 -7.301 1.00 0.90 H new ATOM 0 HD13 ILE A 53 1.719 -4.360 -8.797 1.00 0.90 H new ATOM 818 N GLY A 54 3.191 -7.886 -7.650 1.00 0.70 N ATOM 819 CA GLY A 54 4.111 -8.507 -6.716 1.00 0.75 C ATOM 820 C GLY A 54 3.944 -7.827 -5.356 1.00 0.80 C ATOM 821 O GLY A 54 3.584 -6.651 -5.299 1.00 0.88 O ATOM 0 H GLY A 54 3.633 -7.388 -8.423 1.00 0.70 H new ATOM 0 HA2 GLY A 54 3.907 -9.575 -6.635 1.00 0.75 H new ATOM 0 HA3 GLY A 54 5.137 -8.405 -7.069 1.00 0.75 H new ATOM 825 N PRO A 55 4.226 -8.515 -4.240 1.00 1.01 N ATOM 826 CA PRO A 55 4.059 -7.938 -2.915 1.00 1.36 C ATOM 827 C PRO A 55 4.849 -6.631 -2.781 1.00 1.44 C ATOM 828 O PRO A 55 4.376 -5.663 -2.188 1.00 1.79 O ATOM 829 CB PRO A 55 4.525 -9.021 -1.933 1.00 1.59 C ATOM 830 CG PRO A 55 5.429 -9.926 -2.773 1.00 1.33 C ATOM 831 CD PRO A 55 4.818 -9.839 -4.171 1.00 1.09 C ATOM 0 HA PRO A 55 3.025 -7.661 -2.712 1.00 1.36 H new ATOM 0 HB2 PRO A 55 5.066 -8.589 -1.091 1.00 1.59 H new ATOM 0 HB3 PRO A 55 3.681 -9.574 -1.520 1.00 1.59 H new ATOM 0 HG2 PRO A 55 6.463 -9.581 -2.764 1.00 1.33 H new ATOM 0 HG3 PRO A 55 5.432 -10.950 -2.399 1.00 1.33 H new ATOM 0 HD2 PRO A 55 5.576 -9.973 -4.942 1.00 1.09 H new ATOM 0 HD3 PRO A 55 4.068 -10.615 -4.323 1.00 1.09 H new ATOM 839 N ARG A 56 6.049 -6.587 -3.365 1.00 1.22 N ATOM 840 CA ARG A 56 6.877 -5.396 -3.355 1.00 1.52 C ATOM 841 C ARG A 56 6.268 -4.253 -4.179 1.00 1.51 C ATOM 842 O ARG A 56 6.601 -3.103 -3.929 1.00 1.61 O ATOM 843 CB ARG A 56 8.298 -5.746 -3.819 1.00 1.63 C ATOM 844 CG ARG A 56 9.291 -4.635 -3.444 1.00 2.50 C ATOM 845 CD ARG A 56 10.708 -4.941 -3.936 1.00 2.70 C ATOM 846 NE ARG A 56 11.332 -6.047 -3.197 1.00 3.92 N ATOM 847 CZ ARG A 56 12.569 -6.502 -3.450 1.00 5.03 C ATOM 848 NH1 ARG A 56 13.296 -5.936 -4.419 1.00 5.14 N ATOM 849 NH2 ARG A 56 13.070 -7.518 -2.736 1.00 6.74 N ATOM 0 H ARG A 56 6.466 -7.378 -3.855 1.00 1.22 H new ATOM 0 HA ARG A 56 6.928 -5.027 -2.331 1.00 1.52 H new ATOM 0 HB2 ARG A 56 8.611 -6.686 -3.365 1.00 1.63 H new ATOM 0 HB3 ARG A 56 8.305 -5.895 -4.899 1.00 1.63 H new ATOM 0 HG2 ARG A 56 8.955 -3.690 -3.871 1.00 2.50 H new ATOM 0 HG3 ARG A 56 9.303 -4.510 -2.361 1.00 2.50 H new ATOM 0 HD2 ARG A 56 10.675 -5.189 -4.997 1.00 2.70 H new ATOM 0 HD3 ARG A 56 11.325 -4.048 -3.837 1.00 2.70 H new ATOM 0 HE ARG A 56 10.797 -6.493 -2.452 1.00 3.92 H new ATOM 0 HH11 ARG A 56 12.910 -5.163 -4.961 1.00 5.14 H new ATOM 0 HH12 ARG A 56 14.237 -6.277 -4.616 1.00 5.14 H new ATOM 0 HH21 ARG A 56 12.511 -7.947 -1.999 1.00 6.74 H new ATOM 0 HH22 ARG A 56 14.010 -7.863 -2.930 1.00 6.74 H new ATOM 863 N ASP A 57 5.401 -4.508 -5.162 1.00 1.40 N ATOM 864 CA ASP A 57 4.986 -3.451 -6.084 1.00 1.26 C ATOM 865 C ASP A 57 4.190 -2.355 -5.386 1.00 1.15 C ATOM 866 O ASP A 57 4.347 -1.176 -5.688 1.00 1.07 O ATOM 867 CB ASP A 57 4.259 -4.022 -7.302 1.00 1.06 C ATOM 868 CG ASP A 57 5.187 -4.839 -8.186 1.00 1.34 C ATOM 869 OD1 ASP A 57 6.342 -4.382 -8.368 1.00 2.44 O ATOM 870 OD2 ASP A 57 4.725 -5.906 -8.646 1.00 2.27 O ATOM 0 H ASP A 57 4.980 -5.420 -5.338 1.00 1.40 H new ATOM 0 HA ASP A 57 5.893 -2.973 -6.455 1.00 1.26 H new ATOM 0 HB2 ASP A 57 3.431 -4.648 -6.970 1.00 1.06 H new ATOM 0 HB3 ASP A 57 3.829 -3.206 -7.883 1.00 1.06 H new ATOM 875 N ILE A 58 3.377 -2.728 -4.401 1.00 1.18 N ATOM 876 CA ILE A 58 2.704 -1.762 -3.544 1.00 1.13 C ATOM 877 C ILE A 58 3.747 -0.805 -2.946 1.00 0.99 C ATOM 878 O ILE A 58 3.597 0.417 -3.002 1.00 0.95 O ATOM 879 CB ILE A 58 1.904 -2.534 -2.482 1.00 1.23 C ATOM 880 CG1 ILE A 58 0.803 -3.361 -3.166 1.00 1.27 C ATOM 881 CG2 ILE A 58 1.294 -1.619 -1.413 1.00 1.24 C ATOM 882 CD1 ILE A 58 0.742 -4.783 -2.606 1.00 1.29 C ATOM 0 H ILE A 58 3.169 -3.701 -4.177 1.00 1.18 H new ATOM 0 HA ILE A 58 1.999 -1.146 -4.102 1.00 1.13 H new ATOM 0 HB ILE A 58 2.602 -3.194 -1.966 1.00 1.23 H new ATOM 0 HG12 ILE A 58 -0.161 -2.872 -3.026 1.00 1.27 H new ATOM 0 HG13 ILE A 58 0.989 -3.399 -4.239 1.00 1.27 H new ATOM 0 HG21 ILE A 58 0.741 -2.221 -0.691 1.00 1.24 H new ATOM 0 HG22 ILE A 58 2.089 -1.077 -0.901 1.00 1.24 H new ATOM 0 HG23 ILE A 58 0.617 -0.908 -1.886 1.00 1.24 H new ATOM 0 HD11 ILE A 58 -0.047 -5.340 -3.112 1.00 1.29 H new ATOM 0 HD12 ILE A 58 1.698 -5.280 -2.769 1.00 1.29 H new ATOM 0 HD13 ILE A 58 0.531 -4.744 -1.537 1.00 1.29 H new ATOM 894 N ILE A 59 4.830 -1.373 -2.411 1.00 0.92 N ATOM 895 CA ILE A 59 5.941 -0.623 -1.854 1.00 0.80 C ATOM 896 C ILE A 59 6.601 0.219 -2.954 1.00 0.61 C ATOM 897 O ILE A 59 6.749 1.421 -2.764 1.00 0.50 O ATOM 898 CB ILE A 59 6.879 -1.587 -1.103 1.00 0.98 C ATOM 899 CG1 ILE A 59 6.176 -2.107 0.165 1.00 1.30 C ATOM 900 CG2 ILE A 59 8.211 -0.926 -0.744 1.00 0.82 C ATOM 901 CD1 ILE A 59 6.662 -3.503 0.551 1.00 1.31 C ATOM 0 H ILE A 59 4.955 -2.384 -2.355 1.00 0.92 H new ATOM 0 HA ILE A 59 5.608 0.099 -1.108 1.00 0.80 H new ATOM 0 HB ILE A 59 7.105 -2.423 -1.765 1.00 0.98 H new ATOM 0 HG12 ILE A 59 6.358 -1.418 0.990 1.00 1.30 H new ATOM 0 HG13 ILE A 59 5.099 -2.130 -0.000 1.00 1.30 H new ATOM 0 HG21 ILE A 59 8.841 -1.641 -0.216 1.00 0.82 H new ATOM 0 HG22 ILE A 59 8.714 -0.603 -1.655 1.00 0.82 H new ATOM 0 HG23 ILE A 59 8.028 -0.062 -0.105 1.00 0.82 H new ATOM 0 HD11 ILE A 59 6.142 -3.834 1.450 1.00 1.31 H new ATOM 0 HD12 ILE A 59 6.457 -4.198 -0.263 1.00 1.31 H new ATOM 0 HD13 ILE A 59 7.735 -3.475 0.742 1.00 1.31 H new ATOM 913 N HIS A 60 6.921 -0.363 -4.117 1.00 0.72 N ATOM 914 CA HIS A 60 7.464 0.372 -5.258 1.00 0.74 C ATOM 915 C HIS A 60 6.623 1.620 -5.547 1.00 0.60 C ATOM 916 O HIS A 60 7.169 2.698 -5.778 1.00 0.59 O ATOM 917 CB HIS A 60 7.541 -0.498 -6.529 1.00 1.05 C ATOM 918 CG HIS A 60 8.452 -1.704 -6.481 1.00 1.90 C ATOM 919 ND1 HIS A 60 8.274 -2.887 -7.175 1.00 3.15 N ATOM 920 CD2 HIS A 60 9.715 -1.733 -5.948 1.00 2.36 C ATOM 921 CE1 HIS A 60 9.396 -3.610 -7.038 1.00 3.91 C ATOM 922 NE2 HIS A 60 10.306 -2.952 -6.302 1.00 3.54 N ATOM 0 H HIS A 60 6.809 -1.362 -4.290 1.00 0.72 H new ATOM 0 HA HIS A 60 8.478 0.666 -4.987 1.00 0.74 H new ATOM 0 HB2 HIS A 60 6.534 -0.843 -6.765 1.00 1.05 H new ATOM 0 HB3 HIS A 60 7.862 0.137 -7.355 1.00 1.05 H new ATOM 0 HD1 HIS A 60 7.441 -3.160 -7.696 1.00 3.15 H new ATOM 0 HD2 HIS A 60 10.173 -0.953 -5.359 1.00 2.36 H new ATOM 0 HE1 HIS A 60 9.547 -4.591 -7.463 1.00 3.91 H new ATOM 930 N THR A 61 5.294 1.490 -5.535 1.00 0.58 N ATOM 931 CA THR A 61 4.418 2.616 -5.819 1.00 0.53 C ATOM 932 C THR A 61 4.582 3.672 -4.726 1.00 0.47 C ATOM 933 O THR A 61 4.929 4.818 -5.013 1.00 0.55 O ATOM 934 CB THR A 61 2.969 2.141 -5.992 1.00 0.65 C ATOM 935 OG1 THR A 61 2.948 1.194 -7.038 1.00 0.82 O ATOM 936 CG2 THR A 61 2.037 3.300 -6.360 1.00 0.79 C ATOM 0 H THR A 61 4.808 0.617 -5.332 1.00 0.58 H new ATOM 0 HA THR A 61 4.696 3.082 -6.764 1.00 0.53 H new ATOM 0 HB THR A 61 2.621 1.713 -5.052 1.00 0.65 H new ATOM 0 HG1 THR A 61 2.026 0.903 -7.197 1.00 0.82 H new ATOM 0 HG21 THR A 61 1.019 2.926 -6.474 1.00 0.79 H new ATOM 0 HG22 THR A 61 2.061 4.051 -5.570 1.00 0.79 H new ATOM 0 HG23 THR A 61 2.366 3.748 -7.297 1.00 0.79 H new ATOM 944 N ILE A 62 4.363 3.274 -3.472 1.00 0.49 N ATOM 945 CA ILE A 62 4.504 4.129 -2.298 1.00 0.51 C ATOM 946 C ILE A 62 5.828 4.919 -2.349 1.00 0.49 C ATOM 947 O ILE A 62 5.830 6.144 -2.202 1.00 0.56 O ATOM 948 CB ILE A 62 4.345 3.226 -1.058 1.00 0.54 C ATOM 949 CG1 ILE A 62 2.872 2.789 -0.935 1.00 0.49 C ATOM 950 CG2 ILE A 62 4.773 3.903 0.249 1.00 0.70 C ATOM 951 CD1 ILE A 62 2.657 1.694 0.114 1.00 1.47 C ATOM 0 H ILE A 62 4.075 2.323 -3.241 1.00 0.49 H new ATOM 0 HA ILE A 62 3.734 4.900 -2.259 1.00 0.51 H new ATOM 0 HB ILE A 62 5.004 2.371 -1.206 1.00 0.54 H new ATOM 0 HG12 ILE A 62 2.262 3.655 -0.678 1.00 0.49 H new ATOM 0 HG13 ILE A 62 2.523 2.430 -1.903 1.00 0.49 H new ATOM 0 HG21 ILE A 62 4.635 3.211 1.080 1.00 0.70 H new ATOM 0 HG22 ILE A 62 5.823 4.187 0.185 1.00 0.70 H new ATOM 0 HG23 ILE A 62 4.166 4.793 0.413 1.00 0.70 H new ATOM 0 HD11 ILE A 62 1.600 1.430 0.153 1.00 1.47 H new ATOM 0 HD12 ILE A 62 3.241 0.814 -0.154 1.00 1.47 H new ATOM 0 HD13 ILE A 62 2.976 2.058 1.091 1.00 1.47 H new ATOM 963 N GLU A 63 6.936 4.217 -2.598 1.00 0.46 N ATOM 964 CA GLU A 63 8.258 4.793 -2.791 1.00 0.57 C ATOM 965 C GLU A 63 8.258 5.789 -3.953 1.00 0.59 C ATOM 966 O GLU A 63 8.688 6.929 -3.792 1.00 0.73 O ATOM 967 CB GLU A 63 9.272 3.664 -3.021 1.00 0.71 C ATOM 968 CG GLU A 63 9.484 2.825 -1.750 1.00 0.90 C ATOM 969 CD GLU A 63 10.332 1.580 -1.992 1.00 0.99 C ATOM 970 OE1 GLU A 63 10.397 1.136 -3.160 1.00 1.72 O ATOM 971 OE2 GLU A 63 10.889 1.080 -0.992 1.00 2.15 O ATOM 0 H GLU A 63 6.932 3.200 -2.672 1.00 0.46 H new ATOM 0 HA GLU A 63 8.544 5.347 -1.897 1.00 0.57 H new ATOM 0 HB2 GLU A 63 8.923 3.020 -3.829 1.00 0.71 H new ATOM 0 HB3 GLU A 63 10.224 4.089 -3.340 1.00 0.71 H new ATOM 0 HG2 GLU A 63 9.963 3.442 -0.990 1.00 0.90 H new ATOM 0 HG3 GLU A 63 8.514 2.526 -1.353 1.00 0.90 H new ATOM 978 N SER A 64 7.794 5.358 -5.132 1.00 0.57 N ATOM 979 CA SER A 64 7.893 6.148 -6.353 1.00 0.69 C ATOM 980 C SER A 64 7.166 7.488 -6.238 1.00 0.72 C ATOM 981 O SER A 64 7.578 8.449 -6.885 1.00 0.96 O ATOM 982 CB SER A 64 7.418 5.346 -7.570 1.00 0.73 C ATOM 983 OG SER A 64 6.026 5.125 -7.520 1.00 2.28 O ATOM 0 H SER A 64 7.341 4.453 -5.261 1.00 0.57 H new ATOM 0 HA SER A 64 8.948 6.381 -6.500 1.00 0.69 H new ATOM 0 HB2 SER A 64 7.672 5.882 -8.484 1.00 0.73 H new ATOM 0 HB3 SER A 64 7.940 4.390 -7.606 1.00 0.73 H new ATOM 0 HG SER A 64 5.733 5.093 -6.585 1.00 2.28 H new ATOM 989 N LEU A 65 6.095 7.562 -5.435 1.00 0.61 N ATOM 990 CA LEU A 65 5.519 8.843 -5.064 1.00 0.75 C ATOM 991 C LEU A 65 6.493 9.600 -4.150 1.00 0.91 C ATOM 992 O LEU A 65 7.367 10.310 -4.642 1.00 1.45 O ATOM 993 CB LEU A 65 4.130 8.655 -4.432 1.00 0.84 C ATOM 994 CG LEU A 65 2.979 8.365 -5.411 1.00 0.95 C ATOM 995 CD1 LEU A 65 2.907 9.361 -6.575 1.00 2.88 C ATOM 996 CD2 LEU A 65 2.969 6.936 -5.952 1.00 1.71 C ATOM 0 H LEU A 65 5.620 6.752 -5.038 1.00 0.61 H new ATOM 0 HA LEU A 65 5.367 9.450 -5.956 1.00 0.75 H new ATOM 0 HB2 LEU A 65 4.186 7.836 -3.715 1.00 0.84 H new ATOM 0 HB3 LEU A 65 3.884 9.555 -3.869 1.00 0.84 H new ATOM 0 HG LEU A 65 2.086 8.490 -4.798 1.00 0.95 H new ATOM 0 HD11 LEU A 65 2.074 9.099 -7.227 1.00 2.88 H new ATOM 0 HD12 LEU A 65 2.759 10.368 -6.184 1.00 2.88 H new ATOM 0 HD13 LEU A 65 3.837 9.325 -7.142 1.00 2.88 H new ATOM 0 HD21 LEU A 65 2.128 6.811 -6.635 1.00 1.71 H new ATOM 0 HD22 LEU A 65 3.900 6.742 -6.484 1.00 1.71 H new ATOM 0 HD23 LEU A 65 2.871 6.234 -5.124 1.00 1.71 H new ATOM 1008 N GLY A 66 6.308 9.547 -2.827 1.00 0.72 N ATOM 1009 CA GLY A 66 7.244 10.187 -1.911 1.00 0.81 C ATOM 1010 C GLY A 66 7.145 9.630 -0.497 1.00 0.59 C ATOM 1011 O GLY A 66 7.240 10.403 0.455 1.00 0.80 O ATOM 0 H GLY A 66 5.527 9.072 -2.375 1.00 0.72 H new ATOM 0 HA2 GLY A 66 8.260 10.052 -2.281 1.00 0.81 H new ATOM 0 HA3 GLY A 66 7.052 11.260 -1.890 1.00 0.81 H new ATOM 1015 N PHE A 67 6.893 8.327 -0.342 1.00 0.54 N ATOM 1016 CA PHE A 67 6.484 7.765 0.939 1.00 0.59 C ATOM 1017 C PHE A 67 7.318 6.529 1.265 1.00 0.70 C ATOM 1018 O PHE A 67 7.889 5.918 0.368 1.00 0.95 O ATOM 1019 CB PHE A 67 4.994 7.423 0.851 1.00 0.70 C ATOM 1020 CG PHE A 67 4.104 8.553 0.364 1.00 0.72 C ATOM 1021 CD1 PHE A 67 4.114 9.791 1.029 1.00 2.02 C ATOM 1022 CD2 PHE A 67 3.308 8.387 -0.785 1.00 2.18 C ATOM 1023 CE1 PHE A 67 3.310 10.846 0.571 1.00 2.03 C ATOM 1024 CE2 PHE A 67 2.476 9.432 -1.225 1.00 2.22 C ATOM 1025 CZ PHE A 67 2.471 10.660 -0.541 1.00 0.85 C ATOM 0 H PHE A 67 6.967 7.642 -1.095 1.00 0.54 H new ATOM 0 HA PHE A 67 6.646 8.484 1.742 1.00 0.59 H new ATOM 0 HB2 PHE A 67 4.871 6.570 0.183 1.00 0.70 H new ATOM 0 HB3 PHE A 67 4.650 7.108 1.836 1.00 0.70 H new ATOM 0 HD1 PHE A 67 4.743 9.931 1.896 1.00 2.02 H new ATOM 0 HD2 PHE A 67 3.336 7.455 -1.330 1.00 2.18 H new ATOM 0 HE1 PHE A 67 3.336 11.802 1.073 1.00 2.03 H new ATOM 0 HE2 PHE A 67 1.842 9.291 -2.088 1.00 2.22 H new ATOM 0 HZ PHE A 67 1.823 11.459 -0.870 1.00 0.85 H new ATOM 1035 N GLU A 68 7.376 6.151 2.543 1.00 0.70 N ATOM 1036 CA GLU A 68 8.063 4.947 2.983 1.00 0.81 C ATOM 1037 C GLU A 68 7.031 3.847 3.189 1.00 0.82 C ATOM 1038 O GLU A 68 5.888 4.150 3.539 1.00 1.01 O ATOM 1039 CB GLU A 68 8.732 5.168 4.341 1.00 1.10 C ATOM 1040 CG GLU A 68 9.612 6.414 4.463 1.00 1.98 C ATOM 1041 CD GLU A 68 10.091 6.546 5.901 1.00 2.35 C ATOM 1042 OE1 GLU A 68 10.456 5.493 6.467 1.00 2.31 O ATOM 1043 OE2 GLU A 68 9.988 7.663 6.451 1.00 3.66 O ATOM 0 H GLU A 68 6.944 6.678 3.302 1.00 0.70 H new ATOM 0 HA GLU A 68 8.807 4.686 2.231 1.00 0.81 H new ATOM 0 HB2 GLU A 68 7.954 5.222 5.102 1.00 1.10 H new ATOM 0 HB3 GLU A 68 9.342 4.294 4.570 1.00 1.10 H new ATOM 0 HG2 GLU A 68 10.465 6.340 3.788 1.00 1.98 H new ATOM 0 HG3 GLU A 68 9.050 7.301 4.171 1.00 1.98 H new ATOM 1050 N ALA A 69 7.458 2.583 3.106 1.00 0.76 N ATOM 1051 CA ALA A 69 6.691 1.468 3.631 1.00 0.77 C ATOM 1052 C ALA A 69 7.610 0.405 4.224 1.00 0.71 C ATOM 1053 O ALA A 69 8.815 0.407 3.972 1.00 0.89 O ATOM 1054 CB ALA A 69 5.774 0.881 2.557 1.00 1.15 C ATOM 0 H ALA A 69 8.342 2.313 2.674 1.00 0.76 H new ATOM 0 HA ALA A 69 6.058 1.841 4.436 1.00 0.77 H new ATOM 0 HB1 ALA A 69 5.210 0.047 2.976 1.00 1.15 H new ATOM 0 HB2 ALA A 69 5.082 1.649 2.210 1.00 1.15 H new ATOM 0 HB3 ALA A 69 6.375 0.528 1.719 1.00 1.15 H new ATOM 1060 N SER A 70 7.052 -0.486 5.050 1.00 0.64 N ATOM 1061 CA SER A 70 7.767 -1.623 5.620 1.00 0.73 C ATOM 1062 C SER A 70 6.775 -2.731 5.985 1.00 0.68 C ATOM 1063 O SER A 70 5.936 -2.520 6.858 1.00 0.81 O ATOM 1064 CB SER A 70 8.548 -1.181 6.868 1.00 0.86 C ATOM 1065 OG SER A 70 9.336 -0.026 6.615 1.00 1.85 O ATOM 0 H SER A 70 6.076 -0.433 5.343 1.00 0.64 H new ATOM 0 HA SER A 70 8.471 -2.007 4.882 1.00 0.73 H new ATOM 0 HB2 SER A 70 7.850 -0.974 7.679 1.00 0.86 H new ATOM 0 HB3 SER A 70 9.192 -1.995 7.201 1.00 0.86 H new ATOM 0 HG SER A 70 10.248 -0.175 6.941 1.00 1.85 H new ATOM 1071 N LEU A 71 6.863 -3.910 5.361 1.00 0.81 N ATOM 1072 CA LEU A 71 6.045 -5.079 5.697 1.00 0.82 C ATOM 1073 C LEU A 71 6.476 -5.675 7.044 1.00 1.09 C ATOM 1074 O LEU A 71 6.961 -6.802 7.118 1.00 2.09 O ATOM 1075 CB LEU A 71 6.072 -6.105 4.550 1.00 1.23 C ATOM 1076 CG LEU A 71 7.480 -6.585 4.141 1.00 1.47 C ATOM 1077 CD1 LEU A 71 7.482 -8.109 3.967 1.00 1.98 C ATOM 1078 CD2 LEU A 71 7.931 -5.942 2.823 1.00 2.51 C ATOM 0 H LEU A 71 7.515 -4.081 4.596 1.00 0.81 H new ATOM 0 HA LEU A 71 5.007 -4.767 5.814 1.00 0.82 H new ATOM 0 HB2 LEU A 71 5.479 -6.972 4.843 1.00 1.23 H new ATOM 0 HB3 LEU A 71 5.586 -5.667 3.678 1.00 1.23 H new ATOM 0 HG LEU A 71 8.170 -6.291 4.932 1.00 1.47 H new ATOM 0 HD11 LEU A 71 8.479 -8.441 3.678 1.00 1.98 H new ATOM 0 HD12 LEU A 71 7.200 -8.583 4.907 1.00 1.98 H new ATOM 0 HD13 LEU A 71 6.768 -8.388 3.192 1.00 1.98 H new ATOM 0 HD21 LEU A 71 8.927 -6.302 2.565 1.00 2.51 H new ATOM 0 HD22 LEU A 71 7.232 -6.208 2.030 1.00 2.51 H new ATOM 0 HD23 LEU A 71 7.955 -4.858 2.937 1.00 2.51 H new