USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 542 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 16 GLN :FLIP amide:sc= -3.73! C(o=-9.9!,f=-8.8!) USER MOD Set 1.2: A 60 CYS SG : rot -40:sc= -5.05! USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.604 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.0422 X(o=0.042,f=-0.26) USER MOD Single : A 26 SER OG : rot 38:sc= 0.227 USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= 0.19 (180deg=0.118) USER MOD Single : A 29 SER OG : rot -170:sc= 0.00153 USER MOD Single : A 32 MET CE :methyl 148:sc= -0.0768 (180deg=-0.598) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.0443 K(o=0.044,f=-3!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-3.4!) USER MOD Single : A 59 LYS NZ :NH3+ -112:sc= -1.45! (180deg=-4.88!) USER MOD Single : A 65 SER OG : rot 174:sc= 1.02 USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0165) USER MOD Single : A 74 ASN : amide:sc= 0.0987 X(o=0.099,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N THR A 13 -17.406 -6.632 -6.742 1.00 0.00 N ATOM 130 CA THR A 13 -16.974 -7.043 -8.072 1.00 0.00 C ATOM 131 C THR A 13 -15.921 -8.142 -7.993 1.00 0.00 C ATOM 132 O THR A 13 -15.387 -8.429 -6.921 1.00 0.00 O ATOM 133 CB THR A 13 -16.402 -5.856 -8.869 1.00 0.00 C ATOM 134 OG1 THR A 13 -15.340 -5.238 -8.133 1.00 0.00 O ATOM 135 CG2 THR A 13 -17.485 -4.829 -9.163 1.00 0.00 C ATOM 0 HA THR A 13 -17.856 -7.425 -8.586 1.00 0.00 H new ATOM 0 HB THR A 13 -16.016 -6.235 -9.815 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.981 -4.485 -8.647 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.057 -4.000 -9.727 1.00 0.00 H new ATOM 0 HG22 THR A 13 -18.278 -5.294 -9.748 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.897 -4.456 -8.225 1.00 0.00 H new ATOM 143 N LYS A 14 -15.626 -8.756 -9.134 1.00 0.00 N ATOM 144 CA LYS A 14 -14.635 -9.823 -9.196 1.00 0.00 C ATOM 145 C LYS A 14 -13.272 -9.328 -8.722 1.00 0.00 C ATOM 146 O LYS A 14 -12.626 -9.963 -7.890 1.00 0.00 O ATOM 147 CB LYS A 14 -14.526 -10.364 -10.623 1.00 0.00 C ATOM 148 CG LYS A 14 -15.843 -10.870 -11.184 1.00 0.00 C ATOM 149 CD LYS A 14 -15.624 -11.902 -12.277 1.00 0.00 C ATOM 150 CE LYS A 14 -16.837 -12.018 -13.187 1.00 0.00 C ATOM 151 NZ LYS A 14 -16.463 -12.468 -14.556 1.00 0.00 N ATOM 0 H LYS A 14 -16.060 -8.532 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.960 -10.626 -8.534 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.142 -9.577 -11.273 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.798 -11.175 -10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.437 -11.309 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.415 -10.032 -11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.750 -11.628 -12.868 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.412 -12.872 -11.826 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.549 -12.722 -12.755 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.340 -11.053 -13.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.317 -12.534 -15.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.804 -11.784 -14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.006 -13.401 -14.502 1.00 0.00 H new ATOM 165 N GLU A 15 -12.843 -8.189 -9.258 1.00 0.00 N ATOM 166 CA GLU A 15 -11.557 -7.610 -8.888 1.00 0.00 C ATOM 167 C GLU A 15 -11.387 -7.583 -7.372 1.00 0.00 C ATOM 168 O GLU A 15 -10.475 -8.207 -6.829 1.00 0.00 O ATOM 169 CB GLU A 15 -11.430 -6.193 -9.452 1.00 0.00 C ATOM 170 CG GLU A 15 -11.019 -6.153 -10.914 1.00 0.00 C ATOM 171 CD GLU A 15 -11.394 -4.849 -11.590 1.00 0.00 C ATOM 172 OE1 GLU A 15 -12.605 -4.591 -11.754 1.00 0.00 O ATOM 173 OE2 GLU A 15 -10.475 -4.085 -11.955 1.00 0.00 O ATOM 0 H GLU A 15 -13.366 -7.650 -9.948 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.771 -8.235 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.384 -5.679 -9.338 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.698 -5.641 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.942 -6.300 -10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.491 -6.981 -11.443 1.00 0.00 H new ATOM 180 N GLN A 16 -12.271 -6.857 -6.696 1.00 0.00 N ATOM 181 CA GLN A 16 -12.218 -6.748 -5.243 1.00 0.00 C ATOM 182 C GLN A 16 -12.077 -8.123 -4.599 1.00 0.00 C ATOM 183 O GLN A 16 -11.119 -8.383 -3.872 1.00 0.00 O ATOM 184 CB GLN A 16 -13.475 -6.052 -4.717 1.00 0.00 C ATOM 185 CG GLN A 16 -13.740 -4.703 -5.366 1.00 0.00 C ATOM 186 CD GLN A 16 -15.003 -4.044 -4.847 1.00 0.00 C ATOM 187 OE1 GLN A 16 -14.879 -2.801 -4.395 1.00 0.00 O flip ATOM 188 NE2 GLN A 16 -16.077 -4.645 -4.853 1.00 0.00 N flip ATOM 0 H GLN A 16 -13.032 -6.336 -7.131 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.344 -6.152 -4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.335 -6.701 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.381 -5.915 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.891 -4.044 -5.186 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.819 -4.833 -6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.125 -5.599 -5.210 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -16.919 -4.189 -4.501 1.00 0.00 H new ATOM 197 N ALA A 17 -13.038 -9.000 -4.871 1.00 0.00 N ATOM 198 CA ALA A 17 -13.019 -10.349 -4.319 1.00 0.00 C ATOM 199 C ALA A 17 -11.659 -11.008 -4.525 1.00 0.00 C ATOM 200 O ALA A 17 -11.071 -11.545 -3.587 1.00 0.00 O ATOM 201 CB ALA A 17 -14.117 -11.192 -4.950 1.00 0.00 C ATOM 0 H ALA A 17 -13.839 -8.800 -5.470 1.00 0.00 H new ATOM 0 HA ALA A 17 -13.200 -10.279 -3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.092 -12.197 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.087 -10.738 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -13.960 -11.246 -6.027 1.00 0.00 H new ATOM 207 N ASP A 18 -11.167 -10.964 -5.758 1.00 0.00 N ATOM 208 CA ASP A 18 -9.875 -11.556 -6.087 1.00 0.00 C ATOM 209 C ASP A 18 -8.785 -11.035 -5.156 1.00 0.00 C ATOM 210 O ASP A 18 -7.987 -11.806 -4.625 1.00 0.00 O ATOM 211 CB ASP A 18 -9.508 -11.257 -7.541 1.00 0.00 C ATOM 212 CG ASP A 18 -10.002 -12.326 -8.495 1.00 0.00 C ATOM 213 OD1 ASP A 18 -9.450 -13.446 -8.468 1.00 0.00 O ATOM 214 OD2 ASP A 18 -10.941 -12.044 -9.269 1.00 0.00 O ATOM 0 H ASP A 18 -11.643 -10.525 -6.546 1.00 0.00 H new ATOM 0 HA ASP A 18 -9.954 -12.635 -5.955 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.931 -10.294 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.425 -11.169 -7.628 1.00 0.00 H new ATOM 219 N ALA A 19 -8.757 -9.720 -4.965 1.00 0.00 N ATOM 220 CA ALA A 19 -7.766 -9.095 -4.098 1.00 0.00 C ATOM 221 C ALA A 19 -7.865 -9.632 -2.675 1.00 0.00 C ATOM 222 O ALA A 19 -6.916 -10.223 -2.157 1.00 0.00 O ATOM 223 CB ALA A 19 -7.935 -7.583 -4.107 1.00 0.00 C ATOM 0 H ALA A 19 -9.409 -9.067 -5.399 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.776 -9.341 -4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.188 -7.130 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.806 -7.208 -5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.932 -7.326 -3.750 1.00 0.00 H new ATOM 229 N ILE A 20 -9.017 -9.422 -2.047 1.00 0.00 N ATOM 230 CA ILE A 20 -9.238 -9.886 -0.683 1.00 0.00 C ATOM 231 C ILE A 20 -8.961 -11.381 -0.559 1.00 0.00 C ATOM 232 O ILE A 20 -8.454 -11.846 0.463 1.00 0.00 O ATOM 233 CB ILE A 20 -10.679 -9.603 -0.219 1.00 0.00 C ATOM 234 CG1 ILE A 20 -10.886 -8.101 -0.013 1.00 0.00 C ATOM 235 CG2 ILE A 20 -10.983 -10.366 1.062 1.00 0.00 C ATOM 236 CD1 ILE A 20 -12.220 -7.600 -0.521 1.00 0.00 C ATOM 0 H ILE A 20 -9.811 -8.934 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.545 -9.336 -0.046 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.367 -9.943 -0.993 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.802 -7.873 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.087 -7.559 -0.519 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.005 -10.155 1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.871 -11.435 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -10.291 -10.054 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.298 -6.528 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -12.299 -7.796 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.025 -8.115 0.003 1.00 0.00 H new ATOM 248 N ARG A 21 -9.294 -12.128 -1.606 1.00 0.00 N ATOM 249 CA ARG A 21 -9.080 -13.570 -1.615 1.00 0.00 C ATOM 250 C ARG A 21 -7.591 -13.899 -1.561 1.00 0.00 C ATOM 251 O ARG A 21 -7.177 -14.841 -0.886 1.00 0.00 O ATOM 252 CB ARG A 21 -9.706 -14.193 -2.864 1.00 0.00 C ATOM 253 CG ARG A 21 -8.959 -15.413 -3.376 1.00 0.00 C ATOM 254 CD ARG A 21 -9.487 -15.862 -4.730 1.00 0.00 C ATOM 255 NE ARG A 21 -8.736 -16.996 -5.261 1.00 0.00 N ATOM 256 CZ ARG A 21 -9.109 -17.687 -6.333 1.00 0.00 C ATOM 257 NH1 ARG A 21 -10.217 -17.360 -6.984 1.00 0.00 N ATOM 258 NH2 ARG A 21 -8.373 -18.707 -6.756 1.00 0.00 N ATOM 0 H ARG A 21 -9.713 -11.759 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.559 -13.988 -0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.735 -14.475 -2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.744 -13.443 -3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.897 -15.183 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.055 -16.228 -2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.538 -16.135 -4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -9.434 -15.031 -5.433 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.878 -17.273 -4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.785 -16.576 -6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.501 -17.892 -7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.520 -18.961 -6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.660 -19.237 -7.579 1.00 0.00 H new ATOM 272 N ARG A 22 -6.791 -13.116 -2.278 1.00 0.00 N ATOM 273 CA ARG A 22 -5.349 -13.326 -2.314 1.00 0.00 C ATOM 274 C ARG A 22 -4.697 -12.841 -1.022 1.00 0.00 C ATOM 275 O ARG A 22 -3.855 -13.529 -0.444 1.00 0.00 O ATOM 276 CB ARG A 22 -4.736 -12.597 -3.511 1.00 0.00 C ATOM 277 CG ARG A 22 -4.788 -13.397 -4.802 1.00 0.00 C ATOM 278 CD ARG A 22 -4.078 -12.672 -5.935 1.00 0.00 C ATOM 279 NE ARG A 22 -4.603 -11.323 -6.135 1.00 0.00 N ATOM 280 CZ ARG A 22 -4.132 -10.251 -5.508 1.00 0.00 C ATOM 281 NH1 ARG A 22 -3.133 -10.370 -4.645 1.00 0.00 N ATOM 282 NH2 ARG A 22 -4.662 -9.058 -5.743 1.00 0.00 N ATOM 0 H ARG A 22 -7.117 -12.331 -2.841 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.165 -14.396 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.260 -11.652 -3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.698 -12.354 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.326 -14.372 -4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.827 -13.577 -5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.011 -12.617 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.187 -13.244 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.373 -11.198 -6.792 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.724 -11.286 -4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.773 -9.545 -4.165 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.432 -8.963 -6.406 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.300 -8.235 -5.261 1.00 0.00 H new ATOM 296 N ILE A 23 -5.091 -11.653 -0.575 1.00 0.00 N ATOM 297 CA ILE A 23 -4.546 -11.078 0.648 1.00 0.00 C ATOM 298 C ILE A 23 -4.656 -12.057 1.812 1.00 0.00 C ATOM 299 O ILE A 23 -3.715 -12.220 2.589 1.00 0.00 O ATOM 300 CB ILE A 23 -5.265 -9.769 1.023 1.00 0.00 C ATOM 301 CG1 ILE A 23 -4.969 -8.683 -0.014 1.00 0.00 C ATOM 302 CG2 ILE A 23 -4.842 -9.311 2.411 1.00 0.00 C ATOM 303 CD1 ILE A 23 -5.651 -7.365 0.279 1.00 0.00 C ATOM 0 H ILE A 23 -5.786 -11.070 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.495 -10.863 0.455 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.339 -9.953 1.033 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.892 -8.522 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.283 -9.035 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.359 -8.385 2.662 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.098 -10.079 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.765 -9.141 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.396 -6.643 -0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.731 -7.511 0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.318 -6.990 1.247 1.00 0.00 H new ATOM 315 N ARG A 24 -5.810 -12.706 1.925 1.00 0.00 N ATOM 316 CA ARG A 24 -6.042 -13.670 2.994 1.00 0.00 C ATOM 317 C ARG A 24 -5.330 -14.988 2.703 1.00 0.00 C ATOM 318 O ARG A 24 -5.063 -15.774 3.611 1.00 0.00 O ATOM 319 CB ARG A 24 -7.542 -13.916 3.171 1.00 0.00 C ATOM 320 CG ARG A 24 -8.227 -14.425 1.913 1.00 0.00 C ATOM 321 CD ARG A 24 -9.729 -14.189 1.963 1.00 0.00 C ATOM 322 NE ARG A 24 -10.463 -15.166 1.164 1.00 0.00 N ATOM 323 CZ ARG A 24 -11.780 -15.134 0.992 1.00 0.00 C ATOM 324 NH1 ARG A 24 -12.503 -14.179 1.560 1.00 0.00 N ATOM 325 NH2 ARG A 24 -12.376 -16.058 0.249 1.00 0.00 N ATOM 0 H ARG A 24 -6.598 -12.582 1.290 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.637 -13.255 3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.691 -14.638 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.020 -12.988 3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.808 -13.924 1.041 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.029 -15.490 1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.069 -14.237 2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.950 -13.185 1.601 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.936 -15.914 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.048 -13.466 2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.514 -14.157 1.426 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.823 -16.794 -0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.387 -16.033 0.118 1.00 0.00 H new ATOM 339 N ASN A 25 -5.027 -15.221 1.430 1.00 0.00 N ATOM 340 CA ASN A 25 -4.347 -16.444 1.019 1.00 0.00 C ATOM 341 C ASN A 25 -2.929 -16.144 0.542 1.00 0.00 C ATOM 342 O ASN A 25 -2.308 -16.957 -0.143 1.00 0.00 O ATOM 343 CB ASN A 25 -5.134 -17.141 -0.093 1.00 0.00 C ATOM 344 CG ASN A 25 -6.303 -17.944 0.444 1.00 0.00 C ATOM 345 OD1 ASN A 25 -6.136 -19.074 0.903 1.00 0.00 O ATOM 346 ND2 ASN A 25 -7.496 -17.363 0.387 1.00 0.00 N ATOM 0 H ASN A 25 -5.241 -14.580 0.666 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.289 -17.105 1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.502 -16.395 -0.797 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.467 -17.801 -0.648 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.320 -17.855 0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.588 -16.424 -0.002 1.00 0.00 H new ATOM 353 N SER A 26 -2.422 -14.971 0.909 1.00 0.00 N ATOM 354 CA SER A 26 -1.079 -14.562 0.516 1.00 0.00 C ATOM 355 C SER A 26 -0.044 -15.061 1.520 1.00 0.00 C ATOM 356 O SER A 26 -0.373 -15.381 2.662 1.00 0.00 O ATOM 357 CB SER A 26 -1.001 -13.038 0.400 1.00 0.00 C ATOM 358 OG SER A 26 -1.533 -12.593 -0.836 1.00 0.00 O ATOM 0 H SER A 26 -2.921 -14.287 1.478 1.00 0.00 H new ATOM 0 HA SER A 26 -0.860 -15.005 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.550 -12.579 1.222 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.036 -12.716 0.490 1.00 0.00 H new ATOM 0 HG SER A 26 -2.318 -13.132 -1.067 1.00 0.00 H new ATOM 364 N LYS A 27 1.210 -15.123 1.085 1.00 0.00 N ATOM 365 CA LYS A 27 2.296 -15.581 1.943 1.00 0.00 C ATOM 366 C LYS A 27 3.329 -14.478 2.149 1.00 0.00 C ATOM 367 O LYS A 27 4.279 -14.639 2.916 1.00 0.00 O ATOM 368 CB LYS A 27 2.967 -16.816 1.336 1.00 0.00 C ATOM 369 CG LYS A 27 1.998 -17.754 0.638 1.00 0.00 C ATOM 370 CD LYS A 27 1.860 -17.416 -0.837 1.00 0.00 C ATOM 371 CE LYS A 27 0.634 -18.077 -1.448 1.00 0.00 C ATOM 372 NZ LYS A 27 0.487 -17.746 -2.893 1.00 0.00 N ATOM 0 H LYS A 27 1.499 -14.862 0.142 1.00 0.00 H new ATOM 0 HA LYS A 27 1.873 -15.844 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.725 -16.493 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.484 -17.363 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.344 -18.782 0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.022 -17.694 1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.790 -16.335 -0.959 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.753 -17.740 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.707 -19.158 -1.329 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.258 -17.756 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.477 -17.978 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.663 -16.731 -3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.173 -18.298 -3.447 1.00 0.00 H new ATOM 386 N ASP A 28 3.135 -13.357 1.463 1.00 0.00 N ATOM 387 CA ASP A 28 4.049 -12.226 1.573 1.00 0.00 C ATOM 388 C ASP A 28 3.402 -10.951 1.040 1.00 0.00 C ATOM 389 O ASP A 28 2.397 -11.003 0.330 1.00 0.00 O ATOM 390 CB ASP A 28 5.344 -12.512 0.811 1.00 0.00 C ATOM 391 CG ASP A 28 6.133 -13.655 1.419 1.00 0.00 C ATOM 392 OD1 ASP A 28 6.748 -13.450 2.486 1.00 0.00 O ATOM 393 OD2 ASP A 28 6.134 -14.755 0.828 1.00 0.00 O ATOM 0 H ASP A 28 2.353 -13.207 0.825 1.00 0.00 H new ATOM 0 HA ASP A 28 4.282 -12.081 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.107 -12.749 -0.226 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.961 -11.614 0.800 1.00 0.00 H new ATOM 398 N SER A 29 3.984 -9.808 1.389 1.00 0.00 N ATOM 399 CA SER A 29 3.461 -8.519 0.950 1.00 0.00 C ATOM 400 C SER A 29 3.413 -8.443 -0.573 1.00 0.00 C ATOM 401 O SER A 29 2.463 -7.913 -1.149 1.00 0.00 O ATOM 402 CB SER A 29 4.321 -7.381 1.502 1.00 0.00 C ATOM 403 OG SER A 29 4.632 -7.594 2.869 1.00 0.00 O ATOM 0 H SER A 29 4.817 -9.748 1.974 1.00 0.00 H new ATOM 0 HA SER A 29 2.446 -8.416 1.334 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.242 -7.303 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.793 -6.434 1.389 1.00 0.00 H new ATOM 0 HG SER A 29 5.044 -6.786 3.240 1.00 0.00 H new ATOM 409 N TRP A 30 4.445 -8.975 -1.218 1.00 0.00 N ATOM 410 CA TRP A 30 4.521 -8.968 -2.675 1.00 0.00 C ATOM 411 C TRP A 30 3.249 -9.541 -3.290 1.00 0.00 C ATOM 412 O TRP A 30 2.818 -9.111 -4.360 1.00 0.00 O ATOM 413 CB TRP A 30 5.736 -9.768 -3.146 1.00 0.00 C ATOM 414 CG TRP A 30 6.996 -9.425 -2.410 1.00 0.00 C ATOM 415 CD1 TRP A 30 7.862 -10.299 -1.817 1.00 0.00 C ATOM 416 CD2 TRP A 30 7.529 -8.115 -2.188 1.00 0.00 C ATOM 417 NE1 TRP A 30 8.901 -9.610 -1.239 1.00 0.00 N ATOM 418 CE2 TRP A 30 8.721 -8.270 -1.453 1.00 0.00 C ATOM 419 CE3 TRP A 30 7.117 -6.827 -2.540 1.00 0.00 C ATOM 420 CZ2 TRP A 30 9.501 -7.184 -1.065 1.00 0.00 C ATOM 421 CZ3 TRP A 30 7.892 -5.751 -2.153 1.00 0.00 C ATOM 422 CH2 TRP A 30 9.074 -5.934 -1.423 1.00 0.00 C ATOM 0 H TRP A 30 5.240 -9.416 -0.756 1.00 0.00 H new ATOM 0 HA TRP A 30 4.626 -7.934 -3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.531 -10.832 -3.024 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.887 -9.592 -4.211 1.00 0.00 H new ATOM 0 HD1 TRP A 30 7.747 -11.373 -1.804 1.00 0.00 H new ATOM 0 HE1 TRP A 30 9.681 -10.029 -0.732 1.00 0.00 H new ATOM 0 HE3 TRP A 30 6.209 -6.675 -3.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.411 -7.323 -0.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.581 -4.751 -2.418 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.659 -5.072 -1.137 1.00 0.00 H new ATOM 433 N ASP A 31 2.653 -10.512 -2.608 1.00 0.00 N ATOM 434 CA ASP A 31 1.429 -11.143 -3.087 1.00 0.00 C ATOM 435 C ASP A 31 0.230 -10.220 -2.894 1.00 0.00 C ATOM 436 O ASP A 31 -0.600 -10.068 -3.790 1.00 0.00 O ATOM 437 CB ASP A 31 1.193 -12.466 -2.358 1.00 0.00 C ATOM 438 CG ASP A 31 0.466 -13.480 -3.219 1.00 0.00 C ATOM 439 OD1 ASP A 31 -0.613 -13.143 -3.751 1.00 0.00 O ATOM 440 OD2 ASP A 31 0.975 -14.612 -3.362 1.00 0.00 O ATOM 0 H ASP A 31 2.998 -10.880 -1.721 1.00 0.00 H new ATOM 0 HA ASP A 31 1.544 -11.340 -4.153 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.151 -12.881 -2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.614 -12.281 -1.453 1.00 0.00 H new ATOM 445 N MET A 32 0.146 -9.606 -1.718 1.00 0.00 N ATOM 446 CA MET A 32 -0.952 -8.698 -1.407 1.00 0.00 C ATOM 447 C MET A 32 -0.977 -7.523 -2.379 1.00 0.00 C ATOM 448 O MET A 32 -1.911 -7.377 -3.169 1.00 0.00 O ATOM 449 CB MET A 32 -0.826 -8.185 0.028 1.00 0.00 C ATOM 450 CG MET A 32 -1.309 -9.178 1.073 1.00 0.00 C ATOM 451 SD MET A 32 -0.858 -8.696 2.751 1.00 0.00 S ATOM 452 CE MET A 32 0.442 -9.877 3.104 1.00 0.00 C ATOM 0 H MET A 32 0.825 -9.721 -0.965 1.00 0.00 H new ATOM 0 HA MET A 32 -1.887 -9.250 -1.507 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.217 -7.939 0.227 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.396 -7.261 0.126 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.393 -9.272 1.005 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.889 -10.160 0.856 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.176 -9.422 3.769 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.014 -10.757 3.583 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.929 -10.171 2.174 1.00 0.00 H new ATOM 462 N LEU A 33 0.054 -6.687 -2.317 1.00 0.00 N ATOM 463 CA LEU A 33 0.150 -5.524 -3.192 1.00 0.00 C ATOM 464 C LEU A 33 0.252 -5.949 -4.654 1.00 0.00 C ATOM 465 O LEU A 33 -0.201 -5.239 -5.550 1.00 0.00 O ATOM 466 CB LEU A 33 1.363 -4.673 -2.811 1.00 0.00 C ATOM 467 CG LEU A 33 1.482 -4.298 -1.334 1.00 0.00 C ATOM 468 CD1 LEU A 33 2.798 -3.582 -1.069 1.00 0.00 C ATOM 469 CD2 LEU A 33 0.306 -3.430 -0.908 1.00 0.00 C ATOM 0 H LEU A 33 0.835 -6.793 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.756 -4.931 -3.067 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.265 -5.211 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.336 -3.755 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 33 1.465 -5.214 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.865 -3.323 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.628 -4.236 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.845 -2.673 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.407 -3.172 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.292 -2.518 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.624 -3.977 -1.060 1.00 0.00 H new ATOM 481 N GLY A 34 0.848 -7.115 -4.886 1.00 0.00 N ATOM 482 CA GLY A 34 0.996 -7.615 -6.240 1.00 0.00 C ATOM 483 C GLY A 34 2.184 -7.005 -6.957 1.00 0.00 C ATOM 484 O GLY A 34 2.127 -6.747 -8.159 1.00 0.00 O ATOM 0 H GLY A 34 1.231 -7.722 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.109 -8.699 -6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.087 -7.403 -6.804 1.00 0.00 H new ATOM 488 N VAL A 35 3.264 -6.771 -6.217 1.00 0.00 N ATOM 489 CA VAL A 35 4.470 -6.186 -6.790 1.00 0.00 C ATOM 490 C VAL A 35 5.682 -7.077 -6.545 1.00 0.00 C ATOM 491 O VAL A 35 5.633 -8.004 -5.736 1.00 0.00 O ATOM 492 CB VAL A 35 4.748 -4.788 -6.205 1.00 0.00 C ATOM 493 CG1 VAL A 35 3.689 -3.797 -6.663 1.00 0.00 C ATOM 494 CG2 VAL A 35 4.811 -4.849 -4.687 1.00 0.00 C ATOM 0 H VAL A 35 3.328 -6.978 -5.220 1.00 0.00 H new ATOM 0 HA VAL A 35 4.300 -6.096 -7.863 1.00 0.00 H new ATOM 0 HB VAL A 35 5.715 -4.445 -6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.902 -2.815 -6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.697 -3.733 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.708 -4.132 -6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.008 -3.853 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.860 -5.213 -4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.610 -5.525 -4.383 1.00 0.00 H new ATOM 504 N LYS A 36 6.772 -6.791 -7.250 1.00 0.00 N ATOM 505 CA LYS A 36 8.000 -7.565 -7.109 1.00 0.00 C ATOM 506 C LYS A 36 8.815 -7.079 -5.915 1.00 0.00 C ATOM 507 O LYS A 36 8.736 -5.920 -5.509 1.00 0.00 O ATOM 508 CB LYS A 36 8.838 -7.467 -8.386 1.00 0.00 C ATOM 509 CG LYS A 36 9.552 -6.136 -8.544 1.00 0.00 C ATOM 510 CD LYS A 36 8.768 -5.184 -9.431 1.00 0.00 C ATOM 511 CE LYS A 36 9.187 -5.306 -10.888 1.00 0.00 C ATOM 512 NZ LYS A 36 8.515 -4.292 -11.746 1.00 0.00 N ATOM 0 H LYS A 36 6.830 -6.028 -7.925 1.00 0.00 H new ATOM 0 HA LYS A 36 7.726 -8.607 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.577 -8.269 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.191 -7.627 -9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.700 -5.683 -7.564 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.541 -6.301 -8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.702 -5.394 -9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.921 -4.160 -9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.268 -5.188 -10.966 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.948 -6.305 -11.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.827 -4.409 -12.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.484 -4.420 -11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.763 -3.338 -11.415 1.00 0.00 H new ATOM 526 N PRO A 37 9.619 -7.985 -5.339 1.00 0.00 N ATOM 527 CA PRO A 37 10.467 -7.671 -4.185 1.00 0.00 C ATOM 528 C PRO A 37 11.616 -6.736 -4.546 1.00 0.00 C ATOM 529 O PRO A 37 12.460 -6.422 -3.709 1.00 0.00 O ATOM 530 CB PRO A 37 11.004 -9.038 -3.757 1.00 0.00 C ATOM 531 CG PRO A 37 10.958 -9.868 -4.993 1.00 0.00 C ATOM 532 CD PRO A 37 9.764 -9.385 -5.771 1.00 0.00 C ATOM 0 HA PRO A 37 9.914 -7.151 -3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.020 -8.961 -3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.394 -9.473 -2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.874 -9.755 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.863 -10.926 -4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.928 -9.459 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.873 -9.970 -5.544 1.00 0.00 H new ATOM 540 N GLY A 38 11.640 -6.293 -5.799 1.00 0.00 N ATOM 541 CA GLY A 38 12.690 -5.397 -6.249 1.00 0.00 C ATOM 542 C GLY A 38 12.151 -4.060 -6.717 1.00 0.00 C ATOM 543 O GLY A 38 12.766 -3.391 -7.547 1.00 0.00 O ATOM 0 H GLY A 38 10.952 -6.538 -6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 38 13.398 -5.235 -5.436 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.241 -5.868 -7.063 1.00 0.00 H new ATOM 547 N ALA A 39 10.996 -3.671 -6.186 1.00 0.00 N ATOM 548 CA ALA A 39 10.374 -2.405 -6.555 1.00 0.00 C ATOM 549 C ALA A 39 10.825 -1.281 -5.627 1.00 0.00 C ATOM 550 O ALA A 39 11.426 -1.530 -4.582 1.00 0.00 O ATOM 551 CB ALA A 39 8.859 -2.535 -6.532 1.00 0.00 C ATOM 0 H ALA A 39 10.473 -4.214 -5.499 1.00 0.00 H new ATOM 0 HA ALA A 39 10.691 -2.154 -7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.408 -1.582 -6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.549 -3.303 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.533 -2.813 -5.530 1.00 0.00 H new ATOM 557 N SER A 40 10.531 -0.045 -6.017 1.00 0.00 N ATOM 558 CA SER A 40 10.910 1.117 -5.222 1.00 0.00 C ATOM 559 C SER A 40 9.696 1.710 -4.513 1.00 0.00 C ATOM 560 O SER A 40 8.558 1.321 -4.777 1.00 0.00 O ATOM 561 CB SER A 40 11.564 2.178 -6.110 1.00 0.00 C ATOM 562 OG SER A 40 12.944 1.912 -6.291 1.00 0.00 O ATOM 0 H SER A 40 10.032 0.177 -6.878 1.00 0.00 H new ATOM 0 HA SER A 40 11.627 0.792 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.065 2.203 -7.079 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.436 3.162 -5.660 1.00 0.00 H new ATOM 0 HG SER A 40 13.338 2.603 -6.863 1.00 0.00 H new ATOM 568 N ARG A 41 9.948 2.653 -3.611 1.00 0.00 N ATOM 569 CA ARG A 41 8.877 3.299 -2.863 1.00 0.00 C ATOM 570 C ARG A 41 7.735 3.708 -3.789 1.00 0.00 C ATOM 571 O ARG A 41 6.564 3.483 -3.484 1.00 0.00 O ATOM 572 CB ARG A 41 9.411 4.527 -2.122 1.00 0.00 C ATOM 573 CG ARG A 41 8.378 5.202 -1.236 1.00 0.00 C ATOM 574 CD ARG A 41 9.033 5.937 -0.077 1.00 0.00 C ATOM 575 NE ARG A 41 9.344 7.323 -0.415 1.00 0.00 N ATOM 576 CZ ARG A 41 10.459 7.697 -1.031 1.00 0.00 C ATOM 577 NH1 ARG A 41 11.365 6.792 -1.377 1.00 0.00 N ATOM 578 NH2 ARG A 41 10.671 8.978 -1.304 1.00 0.00 N ATOM 0 H ARG A 41 10.884 2.986 -3.381 1.00 0.00 H new ATOM 0 HA ARG A 41 8.494 2.582 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.263 4.229 -1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.779 5.249 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.792 5.904 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.685 4.455 -0.849 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.370 5.915 0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.948 5.419 0.210 1.00 0.00 H new ATOM 0 HE ARG A 41 8.667 8.044 -0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.206 5.806 -1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.221 7.082 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.977 9.677 -1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.528 9.263 -1.777 1.00 0.00 H new ATOM 592 N ASP A 42 8.086 4.310 -4.920 1.00 0.00 N ATOM 593 CA ASP A 42 7.091 4.750 -5.892 1.00 0.00 C ATOM 594 C ASP A 42 6.214 3.584 -6.338 1.00 0.00 C ATOM 595 O ASP A 42 5.003 3.733 -6.499 1.00 0.00 O ATOM 596 CB ASP A 42 7.776 5.382 -7.105 1.00 0.00 C ATOM 597 CG ASP A 42 6.788 5.803 -8.174 1.00 0.00 C ATOM 598 OD1 ASP A 42 6.169 6.877 -8.021 1.00 0.00 O ATOM 599 OD2 ASP A 42 6.633 5.058 -9.165 1.00 0.00 O ATOM 0 H ASP A 42 9.051 4.505 -5.187 1.00 0.00 H new ATOM 0 HA ASP A 42 6.457 5.496 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.350 6.251 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.485 4.671 -7.529 1.00 0.00 H new ATOM 604 N GLU A 43 6.834 2.425 -6.536 1.00 0.00 N ATOM 605 CA GLU A 43 6.109 1.235 -6.965 1.00 0.00 C ATOM 606 C GLU A 43 5.157 0.755 -5.874 1.00 0.00 C ATOM 607 O GLU A 43 3.943 0.700 -6.074 1.00 0.00 O ATOM 608 CB GLU A 43 7.089 0.118 -7.329 1.00 0.00 C ATOM 609 CG GLU A 43 7.502 0.123 -8.792 1.00 0.00 C ATOM 610 CD GLU A 43 6.315 0.193 -9.733 1.00 0.00 C ATOM 611 OE1 GLU A 43 5.239 -0.327 -9.371 1.00 0.00 O ATOM 612 OE2 GLU A 43 6.463 0.768 -10.831 1.00 0.00 O ATOM 0 H GLU A 43 7.836 2.285 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 43 5.522 1.496 -7.846 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.980 0.211 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.635 -0.844 -7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.158 0.973 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.078 -0.777 -9.006 1.00 0.00 H new ATOM 619 N VAL A 44 5.716 0.408 -4.719 1.00 0.00 N ATOM 620 CA VAL A 44 4.918 -0.067 -3.595 1.00 0.00 C ATOM 621 C VAL A 44 3.749 0.871 -3.316 1.00 0.00 C ATOM 622 O VAL A 44 2.633 0.426 -3.051 1.00 0.00 O ATOM 623 CB VAL A 44 5.769 -0.201 -2.319 1.00 0.00 C ATOM 624 CG1 VAL A 44 4.926 -0.727 -1.167 1.00 0.00 C ATOM 625 CG2 VAL A 44 6.967 -1.106 -2.570 1.00 0.00 C ATOM 0 H VAL A 44 6.719 0.447 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 44 4.535 -1.049 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 44 6.139 0.787 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.545 -0.815 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.104 -0.037 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.524 -1.706 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.557 -1.189 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.620 -2.095 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 44 7.583 -0.683 -3.363 1.00 0.00 H new ATOM 635 N ASN A 45 4.013 2.172 -3.378 1.00 0.00 N ATOM 636 CA ASN A 45 2.982 3.174 -3.133 1.00 0.00 C ATOM 637 C ASN A 45 1.959 3.190 -4.264 1.00 0.00 C ATOM 638 O ASN A 45 0.752 3.235 -4.024 1.00 0.00 O ATOM 639 CB ASN A 45 3.614 4.559 -2.981 1.00 0.00 C ATOM 640 CG ASN A 45 4.056 4.841 -1.558 1.00 0.00 C ATOM 641 OD1 ASN A 45 3.240 5.165 -0.696 1.00 0.00 O ATOM 642 ND2 ASN A 45 5.354 4.717 -1.307 1.00 0.00 N ATOM 0 H ASN A 45 4.932 2.557 -3.596 1.00 0.00 H new ATOM 0 HA ASN A 45 2.469 2.913 -2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.473 4.638 -3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 45 2.897 5.319 -3.293 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.711 4.893 -0.368 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.994 4.446 -2.053 1.00 0.00 H new ATOM 649 N LYS A 46 2.449 3.153 -5.498 1.00 0.00 N ATOM 650 CA LYS A 46 1.579 3.162 -6.668 1.00 0.00 C ATOM 651 C LYS A 46 0.641 1.958 -6.658 1.00 0.00 C ATOM 652 O LYS A 46 -0.554 2.089 -6.919 1.00 0.00 O ATOM 653 CB LYS A 46 2.414 3.160 -7.951 1.00 0.00 C ATOM 654 CG LYS A 46 3.155 4.463 -8.195 1.00 0.00 C ATOM 655 CD LYS A 46 2.356 5.401 -9.084 1.00 0.00 C ATOM 656 CE LYS A 46 1.540 6.387 -8.262 1.00 0.00 C ATOM 657 NZ LYS A 46 2.364 7.539 -7.800 1.00 0.00 N ATOM 0 H LYS A 46 3.445 3.116 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 46 0.977 4.070 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.136 2.344 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.760 2.959 -8.800 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.360 4.950 -7.242 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.119 4.253 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.033 5.946 -9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.691 4.820 -9.723 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.705 6.754 -8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.114 5.875 -7.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.772 8.188 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.146 7.192 -7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.750 8.043 -8.624 1.00 0.00 H new ATOM 671 N ALA A 47 1.192 0.788 -6.354 1.00 0.00 N ATOM 672 CA ALA A 47 0.404 -0.438 -6.306 1.00 0.00 C ATOM 673 C ALA A 47 -0.528 -0.444 -5.099 1.00 0.00 C ATOM 674 O ALA A 47 -1.685 -0.855 -5.199 1.00 0.00 O ATOM 675 CB ALA A 47 1.320 -1.653 -6.274 1.00 0.00 C ATOM 0 H ALA A 47 2.181 0.663 -6.137 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.209 -0.482 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.718 -2.561 -6.238 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.941 -1.664 -7.170 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.957 -1.605 -5.391 1.00 0.00 H new ATOM 681 N TYR A 48 -0.019 0.013 -3.961 1.00 0.00 N ATOM 682 CA TYR A 48 -0.805 0.057 -2.735 1.00 0.00 C ATOM 683 C TYR A 48 -2.006 0.984 -2.890 1.00 0.00 C ATOM 684 O TYR A 48 -3.084 0.718 -2.358 1.00 0.00 O ATOM 685 CB TYR A 48 0.063 0.520 -1.563 1.00 0.00 C ATOM 686 CG TYR A 48 -0.714 1.232 -0.479 1.00 0.00 C ATOM 687 CD1 TYR A 48 -1.240 2.501 -0.692 1.00 0.00 C ATOM 688 CD2 TYR A 48 -0.923 0.636 0.759 1.00 0.00 C ATOM 689 CE1 TYR A 48 -1.949 3.155 0.297 1.00 0.00 C ATOM 690 CE2 TYR A 48 -1.632 1.282 1.753 1.00 0.00 C ATOM 691 CZ TYR A 48 -2.143 2.542 1.517 1.00 0.00 C ATOM 692 OH TYR A 48 -2.850 3.189 2.504 1.00 0.00 O ATOM 0 H TYR A 48 0.936 0.359 -3.862 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.170 -0.950 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.565 -0.345 -1.130 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.840 1.186 -1.938 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.092 2.984 -1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.524 -0.350 0.947 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.349 4.142 0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.786 0.804 2.709 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.896 2.619 3.300 1.00 0.00 H new ATOM 702 N ARG A 49 -1.812 2.075 -3.625 1.00 0.00 N ATOM 703 CA ARG A 49 -2.878 3.043 -3.852 1.00 0.00 C ATOM 704 C ARG A 49 -4.015 2.422 -4.657 1.00 0.00 C ATOM 705 O ARG A 49 -5.115 2.217 -4.144 1.00 0.00 O ATOM 706 CB ARG A 49 -2.333 4.272 -4.583 1.00 0.00 C ATOM 707 CG ARG A 49 -1.630 5.262 -3.669 1.00 0.00 C ATOM 708 CD ARG A 49 -1.270 6.542 -4.407 1.00 0.00 C ATOM 709 NE ARG A 49 -2.453 7.320 -4.763 1.00 0.00 N ATOM 710 CZ ARG A 49 -2.401 8.547 -5.268 1.00 0.00 C ATOM 711 NH1 ARG A 49 -1.230 9.133 -5.476 1.00 0.00 N ATOM 712 NH2 ARG A 49 -3.522 9.191 -5.567 1.00 0.00 N ATOM 0 H ARG A 49 -0.926 2.310 -4.073 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.269 3.349 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.637 3.946 -5.355 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.155 4.778 -5.089 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.274 5.498 -2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.726 4.807 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.612 7.147 -3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.713 6.295 -5.311 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.370 6.898 -4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.366 8.641 -5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.193 10.076 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.425 8.744 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.481 10.133 -5.955 1.00 0.00 H new ATOM 726 N LYS A 50 -3.742 2.123 -5.923 1.00 0.00 N ATOM 727 CA LYS A 50 -4.741 1.525 -6.801 1.00 0.00 C ATOM 728 C LYS A 50 -5.502 0.415 -6.082 1.00 0.00 C ATOM 729 O LYS A 50 -6.681 0.181 -6.353 1.00 0.00 O ATOM 730 CB LYS A 50 -4.074 0.966 -8.060 1.00 0.00 C ATOM 731 CG LYS A 50 -3.205 -0.252 -7.799 1.00 0.00 C ATOM 732 CD LYS A 50 -3.128 -1.154 -9.019 1.00 0.00 C ATOM 733 CE LYS A 50 -1.964 -2.127 -8.920 1.00 0.00 C ATOM 734 NZ LYS A 50 -2.225 -3.205 -7.927 1.00 0.00 N ATOM 0 H LYS A 50 -2.837 2.285 -6.364 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.450 2.302 -7.087 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.846 0.703 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.464 1.746 -8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.202 0.069 -7.519 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.607 -0.813 -6.955 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.060 -1.710 -9.121 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.019 -0.545 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.778 -2.571 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.061 -1.585 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.408 -3.847 -7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.377 -2.783 -6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.072 -3.739 -8.208 1.00 0.00 H new ATOM 748 N LEU A 51 -4.823 -0.263 -5.163 1.00 0.00 N ATOM 749 CA LEU A 51 -5.436 -1.347 -4.404 1.00 0.00 C ATOM 750 C LEU A 51 -6.344 -0.798 -3.307 1.00 0.00 C ATOM 751 O LEU A 51 -7.525 -1.137 -3.238 1.00 0.00 O ATOM 752 CB LEU A 51 -4.357 -2.239 -3.788 1.00 0.00 C ATOM 753 CG LEU A 51 -4.787 -3.661 -3.426 1.00 0.00 C ATOM 754 CD1 LEU A 51 -5.365 -4.369 -4.642 1.00 0.00 C ATOM 755 CD2 LEU A 51 -3.613 -4.445 -2.858 1.00 0.00 C ATOM 0 H LEU A 51 -3.848 -0.081 -4.926 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.041 -1.940 -5.090 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.522 -2.300 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.984 -1.753 -2.886 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.562 -3.603 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.666 -5.380 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.233 -3.819 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.611 -4.417 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.938 -5.455 -2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.816 -4.495 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.244 -3.948 -1.961 1.00 0.00 H new ATOM 767 N ALA A 52 -5.784 0.054 -2.454 1.00 0.00 N ATOM 768 CA ALA A 52 -6.544 0.653 -1.364 1.00 0.00 C ATOM 769 C ALA A 52 -7.912 1.125 -1.843 1.00 0.00 C ATOM 770 O ALA A 52 -8.931 0.858 -1.205 1.00 0.00 O ATOM 771 CB ALA A 52 -5.768 1.811 -0.754 1.00 0.00 C ATOM 0 H ALA A 52 -4.807 0.345 -2.497 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.699 -0.109 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.347 2.249 0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.816 1.447 -0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.584 2.567 -1.517 1.00 0.00 H new ATOM 777 N VAL A 53 -7.929 1.828 -2.971 1.00 0.00 N ATOM 778 CA VAL A 53 -9.173 2.337 -3.536 1.00 0.00 C ATOM 779 C VAL A 53 -10.128 1.199 -3.877 1.00 0.00 C ATOM 780 O VAL A 53 -11.347 1.346 -3.779 1.00 0.00 O ATOM 781 CB VAL A 53 -8.914 3.172 -4.804 1.00 0.00 C ATOM 782 CG1 VAL A 53 -10.225 3.668 -5.394 1.00 0.00 C ATOM 783 CG2 VAL A 53 -7.985 4.336 -4.494 1.00 0.00 C ATOM 0 H VAL A 53 -7.095 2.058 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.627 2.974 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.428 2.536 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.022 4.256 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.852 2.816 -5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.742 4.289 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.813 4.915 -5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.441 4.974 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.035 3.954 -4.122 1.00 0.00 H new ATOM 793 N LEU A 54 -9.567 0.063 -4.277 1.00 0.00 N ATOM 794 CA LEU A 54 -10.368 -1.103 -4.633 1.00 0.00 C ATOM 795 C LEU A 54 -10.869 -1.821 -3.383 1.00 0.00 C ATOM 796 O LEU A 54 -11.974 -2.364 -3.368 1.00 0.00 O ATOM 797 CB LEU A 54 -9.550 -2.065 -5.494 1.00 0.00 C ATOM 798 CG LEU A 54 -10.321 -3.229 -6.119 1.00 0.00 C ATOM 799 CD1 LEU A 54 -11.261 -2.726 -7.203 1.00 0.00 C ATOM 800 CD2 LEU A 54 -9.359 -4.265 -6.682 1.00 0.00 C ATOM 0 H LEU A 54 -8.560 -0.075 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.231 -0.760 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.081 -1.494 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.746 -2.475 -4.882 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.919 -3.703 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.801 -3.568 -7.636 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.973 -2.023 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.684 -2.226 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.925 -5.086 -7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.734 -3.804 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.728 -4.649 -5.881 1.00 0.00 H new ATOM 812 N LEU A 55 -10.050 -1.818 -2.337 1.00 0.00 N ATOM 813 CA LEU A 55 -10.410 -2.467 -1.082 1.00 0.00 C ATOM 814 C LEU A 55 -10.954 -1.452 -0.080 1.00 0.00 C ATOM 815 O LEU A 55 -11.175 -1.774 1.087 1.00 0.00 O ATOM 816 CB LEU A 55 -9.197 -3.185 -0.489 1.00 0.00 C ATOM 817 CG LEU A 55 -8.510 -4.205 -1.399 1.00 0.00 C ATOM 818 CD1 LEU A 55 -7.089 -4.470 -0.927 1.00 0.00 C ATOM 819 CD2 LEU A 55 -9.309 -5.499 -1.447 1.00 0.00 C ATOM 0 H LEU A 55 -9.132 -1.373 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.191 -3.198 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.462 -2.435 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.511 -3.694 0.422 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.464 -3.792 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.616 -5.198 -1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.520 -3.540 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.111 -4.862 0.090 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.806 -6.213 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.387 -5.916 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.308 -5.296 -1.834 1.00 0.00 H new ATOM 831 N HIS A 56 -11.169 -0.226 -0.546 1.00 0.00 N ATOM 832 CA HIS A 56 -11.690 0.835 0.308 1.00 0.00 C ATOM 833 C HIS A 56 -12.959 0.383 1.025 1.00 0.00 C ATOM 834 O HIS A 56 -13.796 -0.327 0.467 1.00 0.00 O ATOM 835 CB HIS A 56 -11.976 2.090 -0.518 1.00 0.00 C ATOM 836 CG HIS A 56 -11.761 3.366 0.236 1.00 0.00 C ATOM 837 ND1 HIS A 56 -12.768 4.276 0.478 1.00 0.00 N ATOM 838 CD2 HIS A 56 -10.646 3.881 0.805 1.00 0.00 C ATOM 839 CE1 HIS A 56 -12.282 5.296 1.162 1.00 0.00 C ATOM 840 NE2 HIS A 56 -10.996 5.081 1.373 1.00 0.00 N ATOM 0 H HIS A 56 -10.991 0.057 -1.510 1.00 0.00 H new ATOM 0 HA HIS A 56 -10.934 1.067 1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.337 2.087 -1.401 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -13.007 2.056 -0.871 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.664 3.432 0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -12.841 6.159 1.493 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.365 5.705 1.876 1.00 0.00 H new ATOM 848 N PRO A 57 -13.106 0.802 2.290 1.00 0.00 N ATOM 849 CA PRO A 57 -14.270 0.452 3.110 1.00 0.00 C ATOM 850 C PRO A 57 -15.544 1.139 2.631 1.00 0.00 C ATOM 851 O PRO A 57 -16.632 0.568 2.703 1.00 0.00 O ATOM 852 CB PRO A 57 -13.885 0.952 4.505 1.00 0.00 C ATOM 853 CG PRO A 57 -12.903 2.045 4.258 1.00 0.00 C ATOM 854 CD PRO A 57 -12.148 1.651 3.018 1.00 0.00 C ATOM 0 HA PRO A 57 -14.490 -0.615 3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -14.756 1.318 5.049 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.447 0.154 5.105 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.409 3.000 4.120 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.228 2.162 5.106 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.857 2.522 2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.234 1.109 3.260 1.00 0.00 H new ATOM 862 N ASP A 58 -15.401 2.366 2.142 1.00 0.00 N ATOM 863 CA ASP A 58 -16.541 3.130 1.649 1.00 0.00 C ATOM 864 C ASP A 58 -16.824 2.802 0.187 1.00 0.00 C ATOM 865 O ASP A 58 -17.770 3.321 -0.406 1.00 0.00 O ATOM 866 CB ASP A 58 -16.284 4.629 1.807 1.00 0.00 C ATOM 867 CG ASP A 58 -17.379 5.474 1.186 1.00 0.00 C ATOM 868 OD1 ASP A 58 -18.567 5.153 1.398 1.00 0.00 O ATOM 869 OD2 ASP A 58 -17.048 6.454 0.486 1.00 0.00 O ATOM 0 H ASP A 58 -14.507 2.853 2.076 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.414 2.854 2.240 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -16.200 4.870 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.329 4.881 1.346 1.00 0.00 H new ATOM 874 N LYS A 59 -15.998 1.936 -0.391 1.00 0.00 N ATOM 875 CA LYS A 59 -16.158 1.537 -1.784 1.00 0.00 C ATOM 876 C LYS A 59 -16.427 0.040 -1.894 1.00 0.00 C ATOM 877 O LYS A 59 -17.070 -0.417 -2.840 1.00 0.00 O ATOM 878 CB LYS A 59 -14.908 1.902 -2.588 1.00 0.00 C ATOM 879 CG LYS A 59 -14.446 3.333 -2.378 1.00 0.00 C ATOM 880 CD LYS A 59 -15.060 4.273 -3.402 1.00 0.00 C ATOM 881 CE LYS A 59 -16.405 4.807 -2.933 1.00 0.00 C ATOM 882 NZ LYS A 59 -17.534 3.958 -3.405 1.00 0.00 N ATOM 0 H LYS A 59 -15.210 1.497 0.085 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.015 2.073 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.099 1.224 -2.314 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.110 1.746 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.717 3.660 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.359 3.379 -2.446 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.381 5.106 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.186 3.749 -4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.417 4.855 -1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -16.539 5.825 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -18.098 4.486 -4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -17.158 3.095 -3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -18.135 3.699 -2.597 1.00 0.00 H new ATOM 896 N CYS A 60 -15.934 -0.718 -0.920 1.00 0.00 N ATOM 897 CA CYS A 60 -16.122 -2.164 -0.908 1.00 0.00 C ATOM 898 C CYS A 60 -16.780 -2.615 0.392 1.00 0.00 C ATOM 899 O CYS A 60 -16.136 -2.673 1.439 1.00 0.00 O ATOM 900 CB CYS A 60 -14.781 -2.876 -1.088 1.00 0.00 C ATOM 901 SG CYS A 60 -14.898 -4.471 -1.931 1.00 0.00 S ATOM 0 H CYS A 60 -15.402 -0.355 -0.129 1.00 0.00 H new ATOM 0 HA CYS A 60 -16.778 -2.427 -1.738 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -14.111 -2.228 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -14.328 -3.028 -0.108 1.00 0.00 H new ATOM 0 HG CYS A 60 -15.952 -5.107 -1.513 1.00 0.00 H new ATOM 907 N VAL A 61 -18.069 -2.933 0.318 1.00 0.00 N ATOM 908 CA VAL A 61 -18.815 -3.378 1.489 1.00 0.00 C ATOM 909 C VAL A 61 -18.651 -4.878 1.707 1.00 0.00 C ATOM 910 O VAL A 61 -19.432 -5.500 2.426 1.00 0.00 O ATOM 911 CB VAL A 61 -20.315 -3.051 1.356 1.00 0.00 C ATOM 912 CG1 VAL A 61 -20.523 -1.551 1.215 1.00 0.00 C ATOM 913 CG2 VAL A 61 -20.920 -3.796 0.176 1.00 0.00 C ATOM 0 H VAL A 61 -18.618 -2.891 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 61 -18.408 -2.842 2.347 1.00 0.00 H new ATOM 0 HB VAL A 61 -20.823 -3.380 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.588 -1.338 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -20.127 -1.044 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -20.003 -1.194 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.980 -3.553 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.411 -3.500 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -20.804 -4.869 0.325 1.00 0.00 H new ATOM 923 N ALA A 62 -17.629 -5.453 1.082 1.00 0.00 N ATOM 924 CA ALA A 62 -17.360 -6.880 1.210 1.00 0.00 C ATOM 925 C ALA A 62 -17.034 -7.250 2.652 1.00 0.00 C ATOM 926 O ALA A 62 -16.532 -6.437 3.429 1.00 0.00 O ATOM 927 CB ALA A 62 -16.221 -7.287 0.287 1.00 0.00 C ATOM 0 H ALA A 62 -16.974 -4.952 0.482 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.260 -7.422 0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -16.031 -8.355 0.393 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -16.493 -7.067 -0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.322 -6.730 0.551 1.00 0.00 H new ATOM 933 N PRO A 63 -17.324 -8.506 3.023 1.00 0.00 N ATOM 934 CA PRO A 63 -17.070 -9.012 4.375 1.00 0.00 C ATOM 935 C PRO A 63 -15.581 -9.167 4.665 1.00 0.00 C ATOM 936 O PRO A 63 -15.178 -9.354 5.812 1.00 0.00 O ATOM 937 CB PRO A 63 -17.760 -10.378 4.378 1.00 0.00 C ATOM 938 CG PRO A 63 -17.782 -10.795 2.948 1.00 0.00 C ATOM 939 CD PRO A 63 -17.924 -9.529 2.150 1.00 0.00 C ATOM 0 HA PRO A 63 -17.440 -8.331 5.141 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.215 -11.095 4.991 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.768 -10.311 4.786 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.867 -11.324 2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -18.611 -11.475 2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -17.405 -9.596 1.194 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.968 -9.307 1.930 1.00 0.00 H new ATOM 947 N GLY A 64 -14.767 -9.087 3.616 1.00 0.00 N ATOM 948 CA GLY A 64 -13.331 -9.221 3.780 1.00 0.00 C ATOM 949 C GLY A 64 -12.585 -7.953 3.415 1.00 0.00 C ATOM 950 O GLY A 64 -11.487 -7.705 3.912 1.00 0.00 O ATOM 0 H GLY A 64 -15.076 -8.932 2.656 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.110 -9.484 4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.972 -10.042 3.159 1.00 0.00 H new ATOM 954 N SER A 65 -13.183 -7.148 2.542 1.00 0.00 N ATOM 955 CA SER A 65 -12.565 -5.901 2.105 1.00 0.00 C ATOM 956 C SER A 65 -11.889 -5.191 3.274 1.00 0.00 C ATOM 957 O SER A 65 -10.745 -4.749 3.167 1.00 0.00 O ATOM 958 CB SER A 65 -13.613 -4.982 1.474 1.00 0.00 C ATOM 959 OG SER A 65 -14.736 -4.829 2.324 1.00 0.00 O ATOM 0 H SER A 65 -14.094 -7.337 2.124 1.00 0.00 H new ATOM 0 HA SER A 65 -11.806 -6.142 1.360 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.171 -4.006 1.271 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.932 -5.393 0.516 1.00 0.00 H new ATOM 0 HG SER A 65 -15.346 -4.163 1.944 1.00 0.00 H new ATOM 965 N GLU A 66 -12.604 -5.087 4.390 1.00 0.00 N ATOM 966 CA GLU A 66 -12.074 -4.431 5.579 1.00 0.00 C ATOM 967 C GLU A 66 -10.722 -5.022 5.969 1.00 0.00 C ATOM 968 O GLU A 66 -9.711 -4.321 5.996 1.00 0.00 O ATOM 969 CB GLU A 66 -13.057 -4.564 6.744 1.00 0.00 C ATOM 970 CG GLU A 66 -12.703 -3.698 7.941 1.00 0.00 C ATOM 971 CD GLU A 66 -13.927 -3.232 8.705 1.00 0.00 C ATOM 972 OE1 GLU A 66 -14.831 -4.060 8.941 1.00 0.00 O ATOM 973 OE2 GLU A 66 -13.979 -2.038 9.068 1.00 0.00 O ATOM 0 H GLU A 66 -13.552 -5.449 4.495 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.937 -3.374 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.056 -4.299 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -13.095 -5.607 7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.053 -4.260 8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.138 -2.830 7.602 1.00 0.00 H new ATOM 980 N ASP A 67 -10.714 -6.315 6.271 1.00 0.00 N ATOM 981 CA ASP A 67 -9.488 -7.002 6.660 1.00 0.00 C ATOM 982 C ASP A 67 -8.412 -6.840 5.590 1.00 0.00 C ATOM 983 O ASP A 67 -7.228 -6.714 5.901 1.00 0.00 O ATOM 984 CB ASP A 67 -9.764 -8.487 6.903 1.00 0.00 C ATOM 985 CG ASP A 67 -10.419 -8.742 8.246 1.00 0.00 C ATOM 986 OD1 ASP A 67 -10.008 -8.102 9.237 1.00 0.00 O ATOM 987 OD2 ASP A 67 -11.341 -9.581 8.307 1.00 0.00 O ATOM 0 H ASP A 67 -11.543 -6.909 6.254 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.127 -6.552 7.585 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.407 -8.868 6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.827 -9.041 6.848 1.00 0.00 H new ATOM 992 N ALA A 68 -8.832 -6.846 4.330 1.00 0.00 N ATOM 993 CA ALA A 68 -7.906 -6.699 3.214 1.00 0.00 C ATOM 994 C ALA A 68 -7.106 -5.406 3.332 1.00 0.00 C ATOM 995 O ALA A 68 -5.875 -5.420 3.290 1.00 0.00 O ATOM 996 CB ALA A 68 -8.659 -6.738 1.893 1.00 0.00 C ATOM 0 H ALA A 68 -9.809 -6.951 4.056 1.00 0.00 H new ATOM 0 HA ALA A 68 -7.205 -7.533 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.954 -6.627 1.069 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -9.180 -7.691 1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.383 -5.924 1.863 1.00 0.00 H new ATOM 1002 N PHE A 69 -7.812 -4.290 3.479 1.00 0.00 N ATOM 1003 CA PHE A 69 -7.167 -2.988 3.601 1.00 0.00 C ATOM 1004 C PHE A 69 -6.090 -3.014 4.681 1.00 0.00 C ATOM 1005 O PHE A 69 -4.960 -2.578 4.459 1.00 0.00 O ATOM 1006 CB PHE A 69 -8.204 -1.910 3.924 1.00 0.00 C ATOM 1007 CG PHE A 69 -7.667 -0.512 3.821 1.00 0.00 C ATOM 1008 CD1 PHE A 69 -7.161 -0.036 2.622 1.00 0.00 C ATOM 1009 CD2 PHE A 69 -7.668 0.328 4.923 1.00 0.00 C ATOM 1010 CE1 PHE A 69 -6.666 1.250 2.523 1.00 0.00 C ATOM 1011 CE2 PHE A 69 -7.175 1.616 4.831 1.00 0.00 C ATOM 1012 CZ PHE A 69 -6.672 2.077 3.630 1.00 0.00 C ATOM 0 H PHE A 69 -8.831 -4.261 3.517 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.694 -2.753 2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -9.050 -2.016 3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.582 -2.072 4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.154 -0.678 1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.059 -0.028 5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.275 1.608 1.582 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -7.183 2.261 5.697 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.284 3.082 3.556 1.00 0.00 H new ATOM 1022 N LYS A 70 -6.448 -3.527 5.853 1.00 0.00 N ATOM 1023 CA LYS A 70 -5.514 -3.611 6.970 1.00 0.00 C ATOM 1024 C LYS A 70 -4.213 -4.281 6.541 1.00 0.00 C ATOM 1025 O LYS A 70 -3.128 -3.731 6.732 1.00 0.00 O ATOM 1026 CB LYS A 70 -6.142 -4.388 8.130 1.00 0.00 C ATOM 1027 CG LYS A 70 -6.898 -3.510 9.111 1.00 0.00 C ATOM 1028 CD LYS A 70 -8.368 -3.397 8.742 1.00 0.00 C ATOM 1029 CE LYS A 70 -9.177 -4.547 9.321 1.00 0.00 C ATOM 1030 NZ LYS A 70 -9.437 -4.365 10.776 1.00 0.00 N ATOM 0 H LYS A 70 -7.379 -3.891 6.054 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.289 -2.597 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.823 -5.138 7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.357 -4.924 8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.805 -3.922 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.450 -2.517 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.765 -2.450 9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.472 -3.387 7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.125 -4.627 8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.642 -5.483 9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.102 -5.095 11.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.544 -4.449 11.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.848 -3.424 10.940 1.00 0.00 H new ATOM 1044 N ALA A 71 -4.328 -5.471 5.960 1.00 0.00 N ATOM 1045 CA ALA A 71 -3.161 -6.214 5.501 1.00 0.00 C ATOM 1046 C ALA A 71 -2.301 -5.365 4.571 1.00 0.00 C ATOM 1047 O ALA A 71 -1.090 -5.253 4.758 1.00 0.00 O ATOM 1048 CB ALA A 71 -3.592 -7.495 4.803 1.00 0.00 C ATOM 0 H ALA A 71 -5.218 -5.941 5.796 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.560 -6.473 6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.710 -8.040 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.158 -8.115 5.498 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.217 -7.249 3.945 1.00 0.00 H new ATOM 1054 N VAL A 72 -2.936 -4.769 3.566 1.00 0.00 N ATOM 1055 CA VAL A 72 -2.228 -3.930 2.606 1.00 0.00 C ATOM 1056 C VAL A 72 -1.243 -3.003 3.308 1.00 0.00 C ATOM 1057 O VAL A 72 -0.055 -2.983 2.985 1.00 0.00 O ATOM 1058 CB VAL A 72 -3.208 -3.083 1.772 1.00 0.00 C ATOM 1059 CG1 VAL A 72 -2.449 -2.153 0.838 1.00 0.00 C ATOM 1060 CG2 VAL A 72 -4.156 -3.980 0.990 1.00 0.00 C ATOM 0 H VAL A 72 -3.938 -4.852 3.396 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.682 -4.600 1.942 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.801 -2.471 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.158 -1.563 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.816 -1.486 1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.829 -2.742 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.841 -3.365 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.582 -4.619 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.725 -4.600 1.683 1.00 0.00 H new ATOM 1070 N VAL A 73 -1.743 -2.235 4.271 1.00 0.00 N ATOM 1071 CA VAL A 73 -0.906 -1.306 5.021 1.00 0.00 C ATOM 1072 C VAL A 73 0.278 -2.024 5.658 1.00 0.00 C ATOM 1073 O VAL A 73 1.431 -1.659 5.436 1.00 0.00 O ATOM 1074 CB VAL A 73 -1.711 -0.589 6.121 1.00 0.00 C ATOM 1075 CG1 VAL A 73 -0.797 0.282 6.969 1.00 0.00 C ATOM 1076 CG2 VAL A 73 -2.832 0.237 5.509 1.00 0.00 C ATOM 0 H VAL A 73 -2.724 -2.238 4.550 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.538 -0.566 4.310 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.159 -1.342 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.383 0.781 7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.034 -0.340 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.318 1.030 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.390 0.736 6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.409 0.984 4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.502 -0.416 4.950 1.00 0.00 H new ATOM 1086 N ASN A 74 -0.016 -3.050 6.451 1.00 0.00 N ATOM 1087 CA ASN A 74 1.025 -3.820 7.121 1.00 0.00 C ATOM 1088 C ASN A 74 2.078 -4.295 6.124 1.00 0.00 C ATOM 1089 O ASN A 74 3.249 -4.451 6.470 1.00 0.00 O ATOM 1090 CB ASN A 74 0.413 -5.022 7.844 1.00 0.00 C ATOM 1091 CG ASN A 74 -0.071 -4.673 9.238 1.00 0.00 C ATOM 1092 OD1 ASN A 74 0.579 -4.994 10.233 1.00 0.00 O ATOM 1093 ND2 ASN A 74 -1.220 -4.011 9.317 1.00 0.00 N ATOM 0 H ASN A 74 -0.966 -3.367 6.645 1.00 0.00 H new ATOM 0 HA ASN A 74 1.508 -3.171 7.852 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.421 -5.408 7.259 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.153 -5.819 7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.596 -3.749 10.228 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.726 -3.765 8.466 1.00 0.00 H new ATOM 1100 N ALA A 75 1.652 -4.522 4.886 1.00 0.00 N ATOM 1101 CA ALA A 75 2.558 -4.975 3.838 1.00 0.00 C ATOM 1102 C ALA A 75 3.373 -3.815 3.276 1.00 0.00 C ATOM 1103 O ALA A 75 4.601 -3.808 3.361 1.00 0.00 O ATOM 1104 CB ALA A 75 1.778 -5.662 2.727 1.00 0.00 C ATOM 0 H ALA A 75 0.685 -4.400 4.584 1.00 0.00 H new ATOM 0 HA ALA A 75 3.252 -5.692 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.467 -5.995 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.246 -6.522 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.061 -4.961 2.299 1.00 0.00 H new ATOM 1110 N ARG A 76 2.681 -2.836 2.702 1.00 0.00 N ATOM 1111 CA ARG A 76 3.341 -1.671 2.125 1.00 0.00 C ATOM 1112 C ARG A 76 4.322 -1.054 3.117 1.00 0.00 C ATOM 1113 O ARG A 76 5.537 -1.101 2.918 1.00 0.00 O ATOM 1114 CB ARG A 76 2.305 -0.629 1.701 1.00 0.00 C ATOM 1115 CG ARG A 76 2.907 0.721 1.347 1.00 0.00 C ATOM 1116 CD ARG A 76 1.932 1.855 1.618 1.00 0.00 C ATOM 1117 NE ARG A 76 2.595 3.156 1.632 1.00 0.00 N ATOM 1118 CZ ARG A 76 3.182 3.670 2.707 1.00 0.00 C ATOM 1119 NH1 ARG A 76 3.188 2.997 3.849 1.00 0.00 N ATOM 1120 NH2 ARG A 76 3.765 4.861 2.640 1.00 0.00 N ATOM 0 H ARG A 76 1.664 -2.826 2.624 1.00 0.00 H new ATOM 0 HA ARG A 76 3.897 -1.999 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.753 -1.008 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.585 -0.496 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.818 0.877 1.925 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.192 0.729 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.153 1.853 0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.440 1.689 2.576 1.00 0.00 H new ATOM 0 HE ARG A 76 2.608 3.700 0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.741 2.082 3.904 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.640 3.394 4.673 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.762 5.382 1.763 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.216 5.255 3.466 1.00 0.00 H new ATOM 1134 N THR A 77 3.787 -0.476 4.188 1.00 0.00 N ATOM 1135 CA THR A 77 4.614 0.152 5.211 1.00 0.00 C ATOM 1136 C THR A 77 5.846 -0.693 5.517 1.00 0.00 C ATOM 1137 O THR A 77 6.976 -0.211 5.437 1.00 0.00 O ATOM 1138 CB THR A 77 3.823 0.377 6.513 1.00 0.00 C ATOM 1139 OG1 THR A 77 2.692 1.216 6.261 1.00 0.00 O ATOM 1140 CG2 THR A 77 4.704 1.011 7.579 1.00 0.00 C ATOM 0 H THR A 77 2.784 -0.430 4.369 1.00 0.00 H new ATOM 0 HA THR A 77 4.928 1.118 4.815 1.00 0.00 H new ATOM 0 HB THR A 77 3.481 -0.592 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.194 1.352 7.094 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.123 1.160 8.489 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.548 0.355 7.791 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.072 1.973 7.222 1.00 0.00 H new ATOM 1148 N ALA A 78 5.620 -1.955 5.866 1.00 0.00 N ATOM 1149 CA ALA A 78 6.712 -2.867 6.181 1.00 0.00 C ATOM 1150 C ALA A 78 7.731 -2.916 5.048 1.00 0.00 C ATOM 1151 O ALA A 78 8.914 -2.634 5.249 1.00 0.00 O ATOM 1152 CB ALA A 78 6.171 -4.260 6.466 1.00 0.00 C ATOM 0 H ALA A 78 4.691 -2.369 5.938 1.00 0.00 H new ATOM 0 HA ALA A 78 7.216 -2.495 7.073 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.998 -4.931 6.700 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.487 -4.218 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.640 -4.631 5.589 1.00 0.00 H new ATOM 1158 N LEU A 79 7.267 -3.275 3.856 1.00 0.00 N ATOM 1159 CA LEU A 79 8.139 -3.361 2.689 1.00 0.00 C ATOM 1160 C LEU A 79 8.964 -2.088 2.531 1.00 0.00 C ATOM 1161 O LEU A 79 10.162 -2.143 2.249 1.00 0.00 O ATOM 1162 CB LEU A 79 7.311 -3.606 1.427 1.00 0.00 C ATOM 1163 CG LEU A 79 6.758 -5.021 1.251 1.00 0.00 C ATOM 1164 CD1 LEU A 79 5.896 -5.106 0.001 1.00 0.00 C ATOM 1165 CD2 LEU A 79 7.892 -6.034 1.189 1.00 0.00 C ATOM 0 H LEU A 79 6.292 -3.511 3.672 1.00 0.00 H new ATOM 0 HA LEU A 79 8.822 -4.198 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.474 -2.908 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.928 -3.368 0.560 1.00 0.00 H new ATOM 0 HG LEU A 79 6.135 -5.256 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.511 -6.120 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.062 -4.409 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.496 -4.850 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.479 -7.035 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.542 -5.801 0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.468 -5.992 2.113 1.00 0.00 H new ATOM 1177 N LEU A 80 8.316 -0.943 2.716 1.00 0.00 N ATOM 1178 CA LEU A 80 8.991 0.345 2.596 1.00 0.00 C ATOM 1179 C LEU A 80 10.165 0.437 3.564 1.00 0.00 C ATOM 1180 O LEU A 80 11.289 0.746 3.167 1.00 0.00 O ATOM 1181 CB LEU A 80 8.006 1.485 2.861 1.00 0.00 C ATOM 1182 CG LEU A 80 6.829 1.595 1.890 1.00 0.00 C ATOM 1183 CD1 LEU A 80 5.830 2.633 2.377 1.00 0.00 C ATOM 1184 CD2 LEU A 80 7.321 1.941 0.492 1.00 0.00 C ATOM 0 H LEU A 80 7.325 -0.880 2.949 1.00 0.00 H new ATOM 0 HA LEU A 80 9.375 0.433 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.609 1.369 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.556 2.426 2.842 1.00 0.00 H new ATOM 0 HG LEU A 80 6.327 0.629 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.000 2.697 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.453 2.343 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.320 3.604 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.470 2.015 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.849 2.894 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.997 1.162 0.141 1.00 0.00 H new