USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Set 2.1: A 50 THR OG1 : rot 41:sc= 0.83 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0.856 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -34:sc= 2.35 USER MOD Single : A 31 SER OG : rot 29:sc= 0.0387 USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= -1.4 (180deg=-4.93!) USER MOD Single : A 47 ASN : amide:sc= -0.583 K(o=-0.58,f=-5!) USER MOD Single : A 49 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.22) USER MOD Single : A 52 THR OG1 : rot 108:sc= 1.74 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN :FLIP amide:sc= -0.0704 F(o=-0.61,f=-0.07) USER MOD Single : A 67 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.5) USER MOD Single : A 68 THR OG1 : rot -11:sc= 0.631 USER MOD Single : A 70 GLN : amide:sc=-0.00113 X(o=-0.0011,f=-0.0058) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -4.88! C(o=-4.9!,f=-5.2!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -116:sc=-1.61e-05 (180deg=-0.117) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.49! C(o=-2.5!,f=-3.4!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -79:sc= 0.2 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -169:sc= 1.05 USER MOD Single : A 111 GLN : amide:sc= -1.57 X(o=-1.6,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 16 -3.380 21.784 3.808 1.00 0.00 N ATOM 179 CA VAL A 16 -4.156 21.734 2.574 1.00 0.00 C ATOM 180 C VAL A 16 -4.140 20.334 1.971 1.00 0.00 C ATOM 181 O VAL A 16 -4.929 20.022 1.079 1.00 0.00 O ATOM 182 CB VAL A 16 -3.619 22.736 1.534 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.762 24.162 2.043 1.00 0.00 C ATOM 184 CG2 VAL A 16 -2.170 22.425 1.194 1.00 0.00 C ATOM 0 HA VAL A 16 -5.180 22.003 2.832 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.210 22.640 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.378 24.856 1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.814 24.377 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.197 24.276 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.807 23.142 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.562 22.492 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.101 21.418 0.783 1.00 0.00 H new ATOM 194 N LEU A 17 -3.236 19.494 2.464 1.00 0.00 N ATOM 195 CA LEU A 17 -3.117 18.125 1.974 1.00 0.00 C ATOM 196 C LEU A 17 -4.367 17.317 2.308 1.00 0.00 C ATOM 197 O LEU A 17 -5.071 17.589 3.281 1.00 0.00 O ATOM 198 CB LEU A 17 -1.884 17.452 2.578 1.00 0.00 C ATOM 199 CG LEU A 17 -0.536 17.865 1.986 1.00 0.00 C ATOM 200 CD1 LEU A 17 -0.619 17.939 0.469 1.00 0.00 C ATOM 201 CD2 LEU A 17 -0.087 19.200 2.562 1.00 0.00 C ATOM 0 H LEU A 17 -2.575 19.737 3.202 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.009 18.161 0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.868 17.661 3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.992 16.373 2.466 1.00 0.00 H new ATOM 0 HG LEU A 17 0.203 17.109 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.350 18.234 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.895 16.962 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.371 18.674 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.874 19.478 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.826 19.965 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.013 19.114 3.644 1.00 0.00 H new ATOM 213 N PRO A 18 -4.650 16.297 1.484 1.00 0.00 N ATOM 214 CA PRO A 18 -5.814 15.426 1.673 1.00 0.00 C ATOM 215 C PRO A 18 -5.672 14.527 2.896 1.00 0.00 C ATOM 216 O PRO A 18 -4.622 13.924 3.117 1.00 0.00 O ATOM 217 CB PRO A 18 -5.841 14.587 0.393 1.00 0.00 C ATOM 218 CG PRO A 18 -4.430 14.582 -0.086 1.00 0.00 C ATOM 219 CD PRO A 18 -3.855 15.915 0.304 1.00 0.00 C ATOM 0 HA PRO A 18 -6.727 15.997 1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.196 13.575 0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.510 15.020 -0.350 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.867 13.766 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.385 14.438 -1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.794 15.841 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.952 16.645 -0.499 1.00 0.00 H new ATOM 227 N SER A 19 -6.736 14.441 3.688 1.00 0.00 N ATOM 228 CA SER A 19 -6.729 13.617 4.892 1.00 0.00 C ATOM 229 C SER A 19 -6.456 12.156 4.548 1.00 0.00 C ATOM 230 O SER A 19 -6.880 11.663 3.504 1.00 0.00 O ATOM 231 CB SER A 19 -8.065 13.739 5.627 1.00 0.00 C ATOM 232 OG SER A 19 -7.898 13.555 7.022 1.00 0.00 O ATOM 0 H SER A 19 -7.614 14.932 3.518 1.00 0.00 H new ATOM 0 HA SER A 19 -5.931 13.974 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.501 14.720 5.436 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.765 12.998 5.241 1.00 0.00 H new ATOM 0 HG SER A 19 -8.766 13.639 7.469 1.00 0.00 H new ATOM 238 N ALA A 20 -5.744 11.469 5.436 1.00 0.00 N ATOM 239 CA ALA A 20 -5.415 10.064 5.229 1.00 0.00 C ATOM 240 C ALA A 20 -6.659 9.188 5.334 1.00 0.00 C ATOM 241 O ALA A 20 -7.549 9.428 6.150 1.00 0.00 O ATOM 242 CB ALA A 20 -4.364 9.615 6.233 1.00 0.00 C ATOM 0 H ALA A 20 -5.384 11.863 6.305 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.010 9.955 4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.128 8.564 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.462 10.214 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.748 9.745 7.245 1.00 0.00 H new ATOM 248 N PRO A 21 -6.724 8.149 4.489 1.00 0.00 N ATOM 249 CA PRO A 21 -7.855 7.216 4.468 1.00 0.00 C ATOM 250 C PRO A 21 -7.903 6.335 5.711 1.00 0.00 C ATOM 251 O PRO A 21 -6.900 6.172 6.407 1.00 0.00 O ATOM 252 CB PRO A 21 -7.592 6.369 3.221 1.00 0.00 C ATOM 253 CG PRO A 21 -6.118 6.438 3.019 1.00 0.00 C ATOM 254 CD PRO A 21 -5.700 7.804 3.490 1.00 0.00 C ATOM 0 HA PRO A 21 -8.813 7.736 4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.924 5.341 3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.129 6.760 2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.609 5.657 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.860 6.291 1.970 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.701 7.790 3.927 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.680 8.523 2.671 1.00 0.00 H new ATOM 262 N ARG A 22 -9.073 5.767 5.984 1.00 0.00 N ATOM 263 CA ARG A 22 -9.251 4.902 7.144 1.00 0.00 C ATOM 264 C ARG A 22 -8.287 3.721 7.094 1.00 0.00 C ATOM 265 O ARG A 22 -7.488 3.597 6.165 1.00 0.00 O ATOM 266 CB ARG A 22 -10.693 4.395 7.212 1.00 0.00 C ATOM 267 CG ARG A 22 -11.007 3.312 6.193 1.00 0.00 C ATOM 268 CD ARG A 22 -12.156 2.429 6.654 1.00 0.00 C ATOM 269 NE ARG A 22 -12.465 1.382 5.684 1.00 0.00 N ATOM 270 CZ ARG A 22 -13.645 0.778 5.606 1.00 0.00 C ATOM 271 NH1 ARG A 22 -14.623 1.116 6.436 1.00 0.00 N ATOM 272 NH2 ARG A 22 -13.850 -0.165 4.696 1.00 0.00 N ATOM 0 H ARG A 22 -9.912 5.890 5.417 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.036 5.487 8.039 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.886 4.008 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.372 5.234 7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.261 3.772 5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.121 2.700 6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.901 1.973 7.611 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.041 3.043 6.819 1.00 0.00 H new ATOM 0 HE ARG A 22 -11.735 1.099 5.031 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.470 1.842 7.136 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.528 0.650 6.374 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.101 -0.427 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.757 -0.628 4.637 1.00 0.00 H new ATOM 286 N ASP A 23 -8.367 2.856 8.099 1.00 0.00 N ATOM 287 CA ASP A 23 -7.502 1.684 8.170 1.00 0.00 C ATOM 288 C ASP A 23 -7.798 0.720 7.025 1.00 0.00 C ATOM 289 O ASP A 23 -8.666 -0.146 7.138 1.00 0.00 O ATOM 290 CB ASP A 23 -7.680 0.972 9.512 1.00 0.00 C ATOM 291 CG ASP A 23 -6.730 -0.197 9.678 1.00 0.00 C ATOM 292 OD1 ASP A 23 -6.735 -1.093 8.808 1.00 0.00 O ATOM 293 OD2 ASP A 23 -5.983 -0.218 10.678 1.00 0.00 O ATOM 0 H ASP A 23 -9.022 2.944 8.876 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.469 2.020 8.081 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.520 1.684 10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.707 0.617 9.598 1.00 0.00 H new ATOM 298 N VAL A 24 -7.071 0.876 5.923 1.00 0.00 N ATOM 299 CA VAL A 24 -7.256 0.020 4.758 1.00 0.00 C ATOM 300 C VAL A 24 -7.283 -1.451 5.156 1.00 0.00 C ATOM 301 O VAL A 24 -6.381 -1.937 5.839 1.00 0.00 O ATOM 302 CB VAL A 24 -6.141 0.239 3.718 1.00 0.00 C ATOM 303 CG1 VAL A 24 -6.348 -0.667 2.514 1.00 0.00 C ATOM 304 CG2 VAL A 24 -6.089 1.699 3.294 1.00 0.00 C ATOM 0 H VAL A 24 -6.348 1.587 5.813 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.214 0.291 4.315 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.185 -0.018 4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.551 -0.498 1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.332 -1.708 2.835 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.310 -0.445 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.296 1.836 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.045 1.984 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -5.889 2.324 4.165 1.00 0.00 H new ATOM 314 N VAL A 25 -8.323 -2.157 4.723 1.00 0.00 N ATOM 315 CA VAL A 25 -8.467 -3.574 5.033 1.00 0.00 C ATOM 316 C VAL A 25 -8.350 -4.426 3.774 1.00 0.00 C ATOM 317 O VAL A 25 -8.813 -4.053 2.696 1.00 0.00 O ATOM 318 CB VAL A 25 -9.818 -3.866 5.713 1.00 0.00 C ATOM 319 CG1 VAL A 25 -9.898 -3.170 7.063 1.00 0.00 C ATOM 320 CG2 VAL A 25 -10.969 -3.439 4.814 1.00 0.00 C ATOM 0 H VAL A 25 -9.078 -1.770 4.157 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.660 -3.831 5.719 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.897 -4.940 5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.859 -3.388 7.528 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.094 -3.529 7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.798 -2.094 6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.916 -3.652 5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.897 -2.370 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.920 -3.988 3.874 1.00 0.00 H new ATOM 330 N PRO A 26 -7.716 -5.600 3.911 1.00 0.00 N ATOM 331 CA PRO A 26 -7.523 -6.531 2.795 1.00 0.00 C ATOM 332 C PRO A 26 -8.830 -7.178 2.348 1.00 0.00 C ATOM 333 O PRO A 26 -9.180 -8.269 2.797 1.00 0.00 O ATOM 334 CB PRO A 26 -6.575 -7.586 3.373 1.00 0.00 C ATOM 335 CG PRO A 26 -6.809 -7.541 4.843 1.00 0.00 C ATOM 336 CD PRO A 26 -7.139 -6.110 5.167 1.00 0.00 C ATOM 0 HA PRO A 26 -7.135 -6.030 1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.789 -8.575 2.968 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.537 -7.360 3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.626 -8.204 5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.925 -7.871 5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.847 -6.038 5.993 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.251 -5.549 5.458 1.00 0.00 H new ATOM 344 N VAL A 27 -9.547 -6.497 1.459 1.00 0.00 N ATOM 345 CA VAL A 27 -10.815 -7.006 0.949 1.00 0.00 C ATOM 346 C VAL A 27 -10.667 -8.434 0.437 1.00 0.00 C ATOM 347 O VAL A 27 -11.464 -9.312 0.774 1.00 0.00 O ATOM 348 CB VAL A 27 -11.360 -6.119 -0.186 1.00 0.00 C ATOM 349 CG1 VAL A 27 -12.746 -6.583 -0.607 1.00 0.00 C ATOM 350 CG2 VAL A 27 -11.384 -4.660 0.244 1.00 0.00 C ATOM 0 H VAL A 27 -9.271 -5.592 1.077 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.520 -6.992 1.781 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.696 -6.209 -1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.115 -5.945 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.694 -7.614 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -13.424 -6.524 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.772 -4.047 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.025 -4.549 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.373 -4.337 0.491 1.00 0.00 H new ATOM 360 N LEU A 28 -9.644 -8.662 -0.378 1.00 0.00 N ATOM 361 CA LEU A 28 -9.390 -9.985 -0.937 1.00 0.00 C ATOM 362 C LEU A 28 -7.915 -10.354 -0.816 1.00 0.00 C ATOM 363 O LEU A 28 -7.044 -9.650 -1.328 1.00 0.00 O ATOM 364 CB LEU A 28 -9.821 -10.031 -2.405 1.00 0.00 C ATOM 365 CG LEU A 28 -10.294 -11.390 -2.923 1.00 0.00 C ATOM 366 CD1 LEU A 28 -9.106 -12.292 -3.219 1.00 0.00 C ATOM 367 CD2 LEU A 28 -11.228 -12.048 -1.917 1.00 0.00 C ATOM 0 H LEU A 28 -8.976 -7.947 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.974 -10.710 -0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.625 -9.309 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.983 -9.702 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.844 -11.232 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.462 -13.254 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.475 -11.826 -3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.528 -12.443 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.555 -13.014 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.703 -12.192 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.096 -11.409 -1.755 1.00 0.00 H new ATOM 379 N VAL A 29 -7.642 -11.464 -0.138 1.00 0.00 N ATOM 380 CA VAL A 29 -6.272 -11.929 0.048 1.00 0.00 C ATOM 381 C VAL A 29 -6.037 -13.249 -0.678 1.00 0.00 C ATOM 382 O VAL A 29 -6.440 -14.311 -0.203 1.00 0.00 O ATOM 383 CB VAL A 29 -5.938 -12.110 1.540 1.00 0.00 C ATOM 384 CG1 VAL A 29 -4.500 -12.574 1.714 1.00 0.00 C ATOM 385 CG2 VAL A 29 -6.186 -10.817 2.302 1.00 0.00 C ATOM 0 H VAL A 29 -8.351 -12.058 0.292 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.618 -11.165 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.594 -12.878 1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.283 -12.696 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.361 -13.527 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.824 -11.832 1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.945 -10.963 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.557 -10.027 1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.234 -10.533 2.206 1.00 0.00 H new ATOM 395 N SER A 30 -5.382 -13.175 -1.832 1.00 0.00 N ATOM 396 CA SER A 30 -5.096 -14.364 -2.626 1.00 0.00 C ATOM 397 C SER A 30 -3.607 -14.695 -2.591 1.00 0.00 C ATOM 398 O SER A 30 -2.832 -14.048 -1.886 1.00 0.00 O ATOM 399 CB SER A 30 -5.549 -14.158 -4.073 1.00 0.00 C ATOM 400 OG SER A 30 -4.641 -13.331 -4.780 1.00 0.00 O ATOM 0 H SER A 30 -5.039 -12.304 -2.238 1.00 0.00 H new ATOM 0 HA SER A 30 -5.647 -15.200 -2.195 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.631 -15.123 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.541 -13.707 -4.086 1.00 0.00 H new ATOM 0 HG SER A 30 -4.264 -12.663 -4.170 1.00 0.00 H new ATOM 406 N SER A 31 -3.214 -15.709 -3.356 1.00 0.00 N ATOM 407 CA SER A 31 -1.819 -16.130 -3.409 1.00 0.00 C ATOM 408 C SER A 31 -1.104 -15.492 -4.597 1.00 0.00 C ATOM 409 O SER A 31 0.064 -15.778 -4.859 1.00 0.00 O ATOM 410 CB SER A 31 -1.728 -17.654 -3.504 1.00 0.00 C ATOM 411 OG SER A 31 -0.568 -18.053 -4.214 1.00 0.00 O ATOM 0 H SER A 31 -3.842 -16.254 -3.947 1.00 0.00 H new ATOM 0 HA SER A 31 -1.330 -15.800 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.711 -18.083 -2.502 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.615 -18.044 -4.003 1.00 0.00 H new ATOM 0 HG SER A 31 0.137 -17.383 -4.092 1.00 0.00 H new ATOM 417 N ARG A 32 -1.815 -14.626 -5.312 1.00 0.00 N ATOM 418 CA ARG A 32 -1.250 -13.948 -6.472 1.00 0.00 C ATOM 419 C ARG A 32 -1.391 -12.434 -6.339 1.00 0.00 C ATOM 420 O ARG A 32 -0.448 -11.687 -6.600 1.00 0.00 O ATOM 421 CB ARG A 32 -1.939 -14.424 -7.752 1.00 0.00 C ATOM 422 CG ARG A 32 -1.071 -14.297 -8.994 1.00 0.00 C ATOM 423 CD ARG A 32 -1.520 -15.253 -10.088 1.00 0.00 C ATOM 424 NE ARG A 32 -2.872 -14.956 -10.553 1.00 0.00 N ATOM 425 CZ ARG A 32 -3.169 -13.926 -11.338 1.00 0.00 C ATOM 426 NH1 ARG A 32 -2.214 -13.099 -11.743 1.00 0.00 N ATOM 427 NH2 ARG A 32 -4.423 -13.721 -11.720 1.00 0.00 N ATOM 0 H ARG A 32 -2.783 -14.378 -5.108 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.189 -14.194 -6.525 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.234 -15.466 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.854 -13.849 -7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.112 -13.273 -9.365 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.032 -14.501 -8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.827 -15.195 -10.927 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.482 -16.276 -9.714 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.629 -15.573 -10.259 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.249 -13.253 -11.452 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.445 -12.309 -12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.160 -14.354 -11.411 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.650 -12.930 -12.323 1.00 0.00 H new ATOM 441 N PHE A 33 -2.575 -11.989 -5.932 1.00 0.00 N ATOM 442 CA PHE A 33 -2.840 -10.564 -5.765 1.00 0.00 C ATOM 443 C PHE A 33 -3.584 -10.298 -4.460 1.00 0.00 C ATOM 444 O PHE A 33 -3.898 -11.224 -3.712 1.00 0.00 O ATOM 445 CB PHE A 33 -3.655 -10.034 -6.947 1.00 0.00 C ATOM 446 CG PHE A 33 -5.097 -10.456 -6.918 1.00 0.00 C ATOM 447 CD1 PHE A 33 -5.499 -11.636 -7.522 1.00 0.00 C ATOM 448 CD2 PHE A 33 -6.049 -9.671 -6.287 1.00 0.00 C ATOM 449 CE1 PHE A 33 -6.825 -12.027 -7.497 1.00 0.00 C ATOM 450 CE2 PHE A 33 -7.376 -10.057 -6.258 1.00 0.00 C ATOM 451 CZ PHE A 33 -7.764 -11.236 -6.865 1.00 0.00 C ATOM 0 H PHE A 33 -3.366 -12.594 -5.712 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.883 -10.044 -5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.603 -8.945 -6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.202 -10.381 -7.875 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.768 -12.258 -8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.751 -8.748 -5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.126 -12.950 -7.971 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.109 -9.438 -5.762 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.801 -11.539 -6.845 1.00 0.00 H new ATOM 461 N VAL A 34 -3.861 -9.026 -4.192 1.00 0.00 N ATOM 462 CA VAL A 34 -4.568 -8.637 -2.978 1.00 0.00 C ATOM 463 C VAL A 34 -5.400 -7.379 -3.205 1.00 0.00 C ATOM 464 O VAL A 34 -4.859 -6.301 -3.448 1.00 0.00 O ATOM 465 CB VAL A 34 -3.590 -8.389 -1.814 1.00 0.00 C ATOM 466 CG1 VAL A 34 -4.306 -7.728 -0.646 1.00 0.00 C ATOM 467 CG2 VAL A 34 -2.936 -9.692 -1.381 1.00 0.00 C ATOM 0 H VAL A 34 -3.606 -8.247 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.229 -9.464 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.807 -7.713 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.599 -7.561 0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.722 -6.773 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.111 -8.376 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.248 -9.498 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.704 -10.394 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.387 -10.120 -2.220 1.00 0.00 H new ATOM 477 N ARG A 35 -6.718 -7.526 -3.125 1.00 0.00 N ATOM 478 CA ARG A 35 -7.625 -6.402 -3.323 1.00 0.00 C ATOM 479 C ARG A 35 -7.748 -5.572 -2.048 1.00 0.00 C ATOM 480 O ARG A 35 -7.985 -6.108 -0.965 1.00 0.00 O ATOM 481 CB ARG A 35 -9.006 -6.903 -3.753 1.00 0.00 C ATOM 482 CG ARG A 35 -10.032 -5.794 -3.916 1.00 0.00 C ATOM 483 CD ARG A 35 -11.397 -6.349 -4.292 1.00 0.00 C ATOM 484 NE ARG A 35 -11.484 -6.669 -5.715 1.00 0.00 N ATOM 485 CZ ARG A 35 -11.729 -5.766 -6.657 1.00 0.00 C ATOM 486 NH1 ARG A 35 -11.910 -4.494 -6.330 1.00 0.00 N ATOM 487 NH2 ARG A 35 -11.794 -6.135 -7.930 1.00 0.00 N ATOM 0 H ARG A 35 -7.182 -8.412 -2.925 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.214 -5.770 -4.110 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.911 -7.440 -4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.370 -7.618 -3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.111 -5.230 -2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.697 -5.097 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.598 -7.246 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.167 -5.622 -4.036 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.349 -7.639 -6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.861 -4.207 -5.352 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.098 -3.803 -7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -11.656 -7.113 -8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.982 -5.441 -8.653 1.00 0.00 H new ATOM 501 N LEU A 36 -7.585 -4.261 -2.185 1.00 0.00 N ATOM 502 CA LEU A 36 -7.676 -3.355 -1.045 1.00 0.00 C ATOM 503 C LEU A 36 -8.704 -2.258 -1.302 1.00 0.00 C ATOM 504 O LEU A 36 -8.690 -1.614 -2.352 1.00 0.00 O ATOM 505 CB LEU A 36 -6.310 -2.732 -0.752 1.00 0.00 C ATOM 506 CG LEU A 36 -5.127 -3.699 -0.709 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.836 -2.980 -1.069 1.00 0.00 C ATOM 508 CD2 LEU A 36 -5.015 -4.344 0.665 1.00 0.00 C ATOM 0 H LEU A 36 -7.389 -3.801 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.998 -3.933 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.108 -1.976 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.366 -2.216 0.206 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.298 -4.485 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.005 -3.684 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.918 -2.567 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.659 -2.173 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.167 -5.029 0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.867 -3.571 1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.930 -4.894 0.884 1.00 0.00 H new ATOM 520 N SER A 37 -9.593 -2.048 -0.337 1.00 0.00 N ATOM 521 CA SER A 37 -10.629 -1.029 -0.460 1.00 0.00 C ATOM 522 C SER A 37 -10.562 -0.043 0.703 1.00 0.00 C ATOM 523 O SER A 37 -10.549 -0.441 1.868 1.00 0.00 O ATOM 524 CB SER A 37 -12.012 -1.681 -0.511 1.00 0.00 C ATOM 525 OG SER A 37 -13.038 -0.707 -0.442 1.00 0.00 O ATOM 0 H SER A 37 -9.617 -2.570 0.539 1.00 0.00 H new ATOM 0 HA SER A 37 -10.458 -0.483 -1.388 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.113 -2.255 -1.432 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.117 -2.383 0.316 1.00 0.00 H new ATOM 0 HG SER A 37 -13.912 -1.149 -0.478 1.00 0.00 H new ATOM 531 N TRP A 38 -10.518 1.243 0.377 1.00 0.00 N ATOM 532 CA TRP A 38 -10.452 2.287 1.394 1.00 0.00 C ATOM 533 C TRP A 38 -11.377 3.448 1.043 1.00 0.00 C ATOM 534 O TRP A 38 -11.956 3.486 -0.043 1.00 0.00 O ATOM 535 CB TRP A 38 -9.016 2.791 1.544 1.00 0.00 C ATOM 536 CG TRP A 38 -8.443 3.342 0.273 1.00 0.00 C ATOM 537 CD1 TRP A 38 -8.439 4.648 -0.125 1.00 0.00 C ATOM 538 CD2 TRP A 38 -7.794 2.601 -0.766 1.00 0.00 C ATOM 539 NE1 TRP A 38 -7.826 4.764 -1.349 1.00 0.00 N ATOM 540 CE2 TRP A 38 -7.420 3.523 -1.763 1.00 0.00 C ATOM 541 CE3 TRP A 38 -7.489 1.250 -0.949 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -6.759 3.134 -2.926 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -6.834 0.866 -2.104 1.00 0.00 C ATOM 544 CH2 TRP A 38 -6.474 1.805 -3.079 1.00 0.00 C ATOM 0 H TRP A 38 -10.527 1.589 -0.583 1.00 0.00 H new ATOM 0 HA TRP A 38 -10.780 1.859 2.341 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.988 3.564 2.312 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -8.386 1.973 1.893 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.856 5.469 0.439 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.694 5.633 -1.866 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.760 0.519 -0.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.482 3.856 -3.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.596 -0.176 -2.257 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.961 1.473 -3.970 1.00 0.00 H new ATOM 555 N ARG A 39 -11.511 4.392 1.968 1.00 0.00 N ATOM 556 CA ARG A 39 -12.367 5.553 1.756 1.00 0.00 C ATOM 557 C ARG A 39 -11.552 6.747 1.267 1.00 0.00 C ATOM 558 O ARG A 39 -10.420 6.975 1.696 1.00 0.00 O ATOM 559 CB ARG A 39 -13.099 5.917 3.049 1.00 0.00 C ATOM 560 CG ARG A 39 -12.171 6.337 4.177 1.00 0.00 C ATOM 561 CD ARG A 39 -11.923 7.837 4.166 1.00 0.00 C ATOM 562 NE ARG A 39 -13.032 8.579 4.759 1.00 0.00 N ATOM 563 CZ ARG A 39 -12.923 9.820 5.220 1.00 0.00 C ATOM 564 NH1 ARG A 39 -11.761 10.454 5.158 1.00 0.00 N ATOM 565 NH2 ARG A 39 -13.979 10.429 5.745 1.00 0.00 N ATOM 0 H ARG A 39 -11.038 4.376 2.872 1.00 0.00 H new ATOM 0 HA ARG A 39 -13.100 5.297 0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.799 6.728 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -13.690 5.061 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.605 6.046 5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.222 5.810 4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.006 8.057 4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.770 8.172 3.140 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.940 8.119 4.823 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.947 9.989 4.755 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.680 11.407 5.513 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.875 9.944 5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.895 11.382 6.099 1.00 0.00 H new ATOM 579 N PRO A 40 -12.139 7.528 0.348 1.00 0.00 N ATOM 580 CA PRO A 40 -11.485 8.711 -0.219 1.00 0.00 C ATOM 581 C PRO A 40 -11.349 9.841 0.796 1.00 0.00 C ATOM 582 O PRO A 40 -12.048 9.885 1.809 1.00 0.00 O ATOM 583 CB PRO A 40 -12.423 9.124 -1.356 1.00 0.00 C ATOM 584 CG PRO A 40 -13.757 8.591 -0.959 1.00 0.00 C ATOM 585 CD PRO A 40 -13.486 7.316 -0.208 1.00 0.00 C ATOM 0 HA PRO A 40 -10.467 8.497 -0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.449 10.207 -1.474 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.098 8.707 -2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.293 9.306 -0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.379 8.404 -1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.223 7.148 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.517 6.448 -0.866 1.00 0.00 H new ATOM 593 N PRO A 41 -10.429 10.778 0.521 1.00 0.00 N ATOM 594 CA PRO A 41 -10.181 11.925 1.399 1.00 0.00 C ATOM 595 C PRO A 41 -11.337 12.920 1.394 1.00 0.00 C ATOM 596 O PRO A 41 -11.723 13.432 0.343 1.00 0.00 O ATOM 597 CB PRO A 41 -8.924 12.563 0.801 1.00 0.00 C ATOM 598 CG PRO A 41 -8.938 12.156 -0.632 1.00 0.00 C ATOM 599 CD PRO A 41 -9.561 10.788 -0.668 1.00 0.00 C ATOM 0 HA PRO A 41 -10.070 11.624 2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.943 13.648 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.023 12.211 1.304 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.512 12.862 -1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.928 12.136 -1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.131 10.630 -1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.807 10.002 -0.622 1.00 0.00 H new ATOM 607 N ALA A 42 -11.886 13.188 2.574 1.00 0.00 N ATOM 608 CA ALA A 42 -12.997 14.123 2.705 1.00 0.00 C ATOM 609 C ALA A 42 -12.611 15.508 2.196 1.00 0.00 C ATOM 610 O ALA A 42 -13.292 16.076 1.343 1.00 0.00 O ATOM 611 CB ALA A 42 -13.453 14.200 4.154 1.00 0.00 C ATOM 0 H ALA A 42 -11.580 12.771 3.453 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.822 13.757 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.283 14.902 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -13.777 13.214 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.626 14.540 4.778 1.00 0.00 H new ATOM 617 N GLU A 43 -11.516 16.044 2.725 1.00 0.00 N ATOM 618 CA GLU A 43 -11.043 17.364 2.324 1.00 0.00 C ATOM 619 C GLU A 43 -9.874 17.249 1.349 1.00 0.00 C ATOM 620 O GLU A 43 -8.714 17.397 1.735 1.00 0.00 O ATOM 621 CB GLU A 43 -10.620 18.174 3.551 1.00 0.00 C ATOM 622 CG GLU A 43 -11.785 18.810 4.291 1.00 0.00 C ATOM 623 CD GLU A 43 -11.366 20.012 5.115 1.00 0.00 C ATOM 624 OE1 GLU A 43 -10.731 19.814 6.172 1.00 0.00 O ATOM 625 OE2 GLU A 43 -11.672 21.151 4.703 1.00 0.00 O ATOM 0 H GLU A 43 -10.940 15.586 3.431 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.863 17.879 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.077 17.523 4.236 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.928 18.956 3.239 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.545 19.115 3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.244 18.068 4.945 1.00 0.00 H new ATOM 632 N ALA A 44 -10.188 16.985 0.086 1.00 0.00 N ATOM 633 CA ALA A 44 -9.166 16.852 -0.944 1.00 0.00 C ATOM 634 C ALA A 44 -8.454 18.179 -1.186 1.00 0.00 C ATOM 635 O ALA A 44 -7.240 18.216 -1.388 1.00 0.00 O ATOM 636 CB ALA A 44 -9.782 16.338 -2.237 1.00 0.00 C ATOM 0 H ALA A 44 -11.143 16.859 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.427 16.131 -0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.007 16.244 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.238 15.364 -2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.544 17.038 -2.581 1.00 0.00 H new ATOM 642 N LYS A 45 -9.217 19.266 -1.165 1.00 0.00 N ATOM 643 CA LYS A 45 -8.660 20.596 -1.381 1.00 0.00 C ATOM 644 C LYS A 45 -8.061 20.715 -2.779 1.00 0.00 C ATOM 645 O LYS A 45 -6.904 21.102 -2.938 1.00 0.00 O ATOM 646 CB LYS A 45 -7.591 20.901 -0.329 1.00 0.00 C ATOM 647 CG LYS A 45 -7.983 20.480 1.077 1.00 0.00 C ATOM 648 CD LYS A 45 -8.692 21.601 1.818 1.00 0.00 C ATOM 649 CE LYS A 45 -10.201 21.518 1.643 1.00 0.00 C ATOM 650 NZ LYS A 45 -10.665 22.297 0.461 1.00 0.00 N ATOM 0 H LYS A 45 -10.224 19.252 -1.000 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.469 21.321 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.666 20.395 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.383 21.971 -0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.633 19.607 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.092 20.183 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.444 21.551 2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.335 22.564 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -10.497 20.475 1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.692 21.893 2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.356 23.012 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.852 22.769 0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.111 21.655 -0.225 1.00 0.00 H new ATOM 664 N GLY A 46 -8.857 20.380 -3.790 1.00 0.00 N ATOM 665 CA GLY A 46 -8.388 20.457 -5.161 1.00 0.00 C ATOM 666 C GLY A 46 -8.878 19.299 -6.007 1.00 0.00 C ATOM 667 O GLY A 46 -10.076 19.022 -6.058 1.00 0.00 O ATOM 0 H GLY A 46 -9.819 20.057 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.724 21.394 -5.604 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.298 20.473 -5.169 1.00 0.00 H new ATOM 671 N ASN A 47 -7.951 18.622 -6.676 1.00 0.00 N ATOM 672 CA ASN A 47 -8.296 17.489 -7.527 1.00 0.00 C ATOM 673 C ASN A 47 -7.229 16.402 -7.444 1.00 0.00 C ATOM 674 O ASN A 47 -6.061 16.638 -7.756 1.00 0.00 O ATOM 675 CB ASN A 47 -8.462 17.946 -8.978 1.00 0.00 C ATOM 676 CG ASN A 47 -8.820 16.802 -9.907 1.00 0.00 C ATOM 677 OD1 ASN A 47 -8.999 15.665 -9.469 1.00 0.00 O ATOM 678 ND2 ASN A 47 -8.925 17.099 -11.197 1.00 0.00 N ATOM 0 H ASN A 47 -6.955 18.838 -6.645 1.00 0.00 H new ATOM 0 HA ASN A 47 -9.240 17.075 -7.173 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.239 18.709 -9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.536 18.410 -9.318 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.163 16.371 -11.870 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.768 18.055 -11.515 1.00 0.00 H new ATOM 685 N ILE A 48 -7.638 15.210 -7.022 1.00 0.00 N ATOM 686 CA ILE A 48 -6.718 14.086 -6.900 1.00 0.00 C ATOM 687 C ILE A 48 -6.574 13.347 -8.226 1.00 0.00 C ATOM 688 O ILE A 48 -7.559 13.100 -8.920 1.00 0.00 O ATOM 689 CB ILE A 48 -7.184 13.092 -5.820 1.00 0.00 C ATOM 690 CG1 ILE A 48 -7.242 13.780 -4.454 1.00 0.00 C ATOM 691 CG2 ILE A 48 -6.256 11.887 -5.773 1.00 0.00 C ATOM 692 CD1 ILE A 48 -7.926 12.951 -3.389 1.00 0.00 C ATOM 0 H ILE A 48 -8.600 14.998 -6.759 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.752 14.499 -6.610 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.185 12.745 -6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.227 14.010 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.767 14.730 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.599 11.194 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.260 11.387 -6.741 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.244 12.216 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.931 13.500 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -8.952 12.743 -3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.389 12.012 -3.258 1.00 0.00 H new ATOM 704 N GLN A 49 -5.339 12.996 -8.570 1.00 0.00 N ATOM 705 CA GLN A 49 -5.066 12.284 -9.813 1.00 0.00 C ATOM 706 C GLN A 49 -5.085 10.775 -9.592 1.00 0.00 C ATOM 707 O GLN A 49 -5.689 10.031 -10.365 1.00 0.00 O ATOM 708 CB GLN A 49 -3.712 12.711 -10.383 1.00 0.00 C ATOM 709 CG GLN A 49 -3.660 14.172 -10.798 1.00 0.00 C ATOM 710 CD GLN A 49 -4.799 14.559 -11.720 1.00 0.00 C ATOM 711 OE1 GLN A 49 -4.984 13.962 -12.781 1.00 0.00 O ATOM 712 NE2 GLN A 49 -5.571 15.562 -11.320 1.00 0.00 N ATOM 0 H GLN A 49 -4.512 13.193 -8.006 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.849 12.538 -10.527 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.939 12.526 -9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.478 12.088 -11.246 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.690 14.800 -9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.711 14.370 -11.296 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.382 16.029 -10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.354 15.866 -11.899 1.00 0.00 H new ATOM 721 N THR A 50 -4.419 10.329 -8.531 1.00 0.00 N ATOM 722 CA THR A 50 -4.359 8.909 -8.208 1.00 0.00 C ATOM 723 C THR A 50 -3.776 8.686 -6.817 1.00 0.00 C ATOM 724 O THR A 50 -3.351 9.631 -6.152 1.00 0.00 O ATOM 725 CB THR A 50 -3.513 8.135 -9.237 1.00 0.00 C ATOM 726 OG1 THR A 50 -3.641 6.726 -9.015 1.00 0.00 O ATOM 727 CG2 THR A 50 -2.048 8.537 -9.145 1.00 0.00 C ATOM 0 H THR A 50 -3.914 10.931 -7.881 1.00 0.00 H new ATOM 0 HA THR A 50 -5.382 8.535 -8.234 1.00 0.00 H new ATOM 0 HB THR A 50 -3.879 8.380 -10.234 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.575 6.511 -8.811 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.470 7.978 -9.881 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.951 9.605 -9.343 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.672 8.317 -8.146 1.00 0.00 H new ATOM 735 N PHE A 51 -3.760 7.430 -6.382 1.00 0.00 N ATOM 736 CA PHE A 51 -3.229 7.083 -5.069 1.00 0.00 C ATOM 737 C PHE A 51 -2.039 6.137 -5.196 1.00 0.00 C ATOM 738 O PHE A 51 -2.074 5.174 -5.963 1.00 0.00 O ATOM 739 CB PHE A 51 -4.318 6.437 -4.210 1.00 0.00 C ATOM 740 CG PHE A 51 -5.432 7.377 -3.848 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.186 7.993 -4.835 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.726 7.645 -2.521 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.211 8.859 -4.504 1.00 0.00 C ATOM 744 CE2 PHE A 51 -6.751 8.511 -2.184 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.494 9.117 -3.177 1.00 0.00 C ATOM 0 H PHE A 51 -4.109 6.636 -6.919 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.892 8.001 -4.587 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.733 5.583 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.867 6.051 -3.296 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.970 7.794 -5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.148 7.172 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.790 9.334 -5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.969 8.713 -1.146 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.296 9.792 -2.917 1.00 0.00 H new ATOM 755 N THR A 52 -0.983 6.419 -4.439 1.00 0.00 N ATOM 756 CA THR A 52 0.220 5.596 -4.467 1.00 0.00 C ATOM 757 C THR A 52 0.186 4.535 -3.373 1.00 0.00 C ATOM 758 O THR A 52 -0.227 4.805 -2.245 1.00 0.00 O ATOM 759 CB THR A 52 1.490 6.451 -4.298 1.00 0.00 C ATOM 760 OG1 THR A 52 1.483 7.530 -5.240 1.00 0.00 O ATOM 761 CG2 THR A 52 2.740 5.607 -4.495 1.00 0.00 C ATOM 0 H THR A 52 -0.937 7.212 -3.799 1.00 0.00 H new ATOM 0 HA THR A 52 0.246 5.108 -5.442 1.00 0.00 H new ATOM 0 HB THR A 52 1.499 6.854 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.319 8.374 -4.769 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.624 6.232 -4.371 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.757 4.804 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.736 5.179 -5.498 1.00 0.00 H new ATOM 769 N VAL A 53 0.623 3.327 -3.713 1.00 0.00 N ATOM 770 CA VAL A 53 0.644 2.225 -2.758 1.00 0.00 C ATOM 771 C VAL A 53 2.014 1.556 -2.721 1.00 0.00 C ATOM 772 O VAL A 53 2.545 1.147 -3.753 1.00 0.00 O ATOM 773 CB VAL A 53 -0.422 1.167 -3.098 1.00 0.00 C ATOM 774 CG1 VAL A 53 -0.323 -0.016 -2.147 1.00 0.00 C ATOM 775 CG2 VAL A 53 -1.814 1.781 -3.056 1.00 0.00 C ATOM 0 H VAL A 53 0.967 3.086 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 53 0.424 2.651 -1.779 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.240 0.805 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.084 -0.753 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.665 -0.470 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.478 0.326 -1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.555 1.019 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.009 2.172 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.876 2.592 -3.782 1.00 0.00 H new ATOM 785 N PHE A 54 2.581 1.449 -1.524 1.00 0.00 N ATOM 786 CA PHE A 54 3.890 0.830 -1.352 1.00 0.00 C ATOM 787 C PHE A 54 3.758 -0.561 -0.738 1.00 0.00 C ATOM 788 O PHE A 54 3.043 -0.751 0.247 1.00 0.00 O ATOM 789 CB PHE A 54 4.780 1.707 -0.469 1.00 0.00 C ATOM 790 CG PHE A 54 5.022 3.077 -1.034 1.00 0.00 C ATOM 791 CD1 PHE A 54 6.063 3.302 -1.921 1.00 0.00 C ATOM 792 CD2 PHE A 54 4.208 4.141 -0.679 1.00 0.00 C ATOM 793 CE1 PHE A 54 6.288 4.562 -2.443 1.00 0.00 C ATOM 794 CE2 PHE A 54 4.428 5.403 -1.199 1.00 0.00 C ATOM 795 CZ PHE A 54 5.469 5.614 -2.081 1.00 0.00 C ATOM 0 H PHE A 54 2.155 1.783 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 54 4.350 0.731 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.319 1.804 0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.738 1.208 -0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.706 2.483 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.393 3.983 0.011 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.103 4.724 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.786 6.224 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.643 6.600 -2.487 1.00 0.00 H new ATOM 805 N PHE A 55 4.452 -1.529 -1.326 1.00 0.00 N ATOM 806 CA PHE A 55 4.411 -2.903 -0.839 1.00 0.00 C ATOM 807 C PHE A 55 5.811 -3.511 -0.808 1.00 0.00 C ATOM 808 O PHE A 55 6.436 -3.709 -1.850 1.00 0.00 O ATOM 809 CB PHE A 55 3.493 -3.752 -1.721 1.00 0.00 C ATOM 810 CG PHE A 55 3.771 -3.607 -3.190 1.00 0.00 C ATOM 811 CD1 PHE A 55 3.180 -2.590 -3.923 1.00 0.00 C ATOM 812 CD2 PHE A 55 4.623 -4.487 -3.838 1.00 0.00 C ATOM 813 CE1 PHE A 55 3.433 -2.455 -5.274 1.00 0.00 C ATOM 814 CE2 PHE A 55 4.880 -4.357 -5.189 1.00 0.00 C ATOM 815 CZ PHE A 55 4.285 -3.338 -5.908 1.00 0.00 C ATOM 0 H PHE A 55 5.050 -1.388 -2.140 1.00 0.00 H new ATOM 0 HA PHE A 55 4.017 -2.891 0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.600 -4.800 -1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.457 -3.475 -1.526 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.514 -1.895 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.092 -5.284 -3.280 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.965 -1.659 -5.834 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.545 -5.051 -5.682 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.486 -3.232 -6.964 1.00 0.00 H new ATOM 825 N SER A 56 6.296 -3.803 0.394 1.00 0.00 N ATOM 826 CA SER A 56 7.623 -4.384 0.563 1.00 0.00 C ATOM 827 C SER A 56 7.534 -5.765 1.205 1.00 0.00 C ATOM 828 O SER A 56 6.496 -6.143 1.748 1.00 0.00 O ATOM 829 CB SER A 56 8.499 -3.467 1.417 1.00 0.00 C ATOM 830 OG SER A 56 7.917 -3.244 2.689 1.00 0.00 O ATOM 0 H SER A 56 5.790 -3.647 1.266 1.00 0.00 H new ATOM 0 HA SER A 56 8.075 -4.490 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.486 -3.912 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.640 -2.514 0.906 1.00 0.00 H new ATOM 0 HG SER A 56 8.498 -2.656 3.216 1.00 0.00 H new ATOM 836 N ARG A 57 8.630 -6.513 1.140 1.00 0.00 N ATOM 837 CA ARG A 57 8.677 -7.852 1.714 1.00 0.00 C ATOM 838 C ARG A 57 9.241 -7.817 3.131 1.00 0.00 C ATOM 839 O ARG A 57 10.340 -7.312 3.359 1.00 0.00 O ATOM 840 CB ARG A 57 9.526 -8.776 0.838 1.00 0.00 C ATOM 841 CG ARG A 57 9.883 -10.092 1.509 1.00 0.00 C ATOM 842 CD ARG A 57 10.023 -11.215 0.494 1.00 0.00 C ATOM 843 NE ARG A 57 10.987 -12.225 0.923 1.00 0.00 N ATOM 844 CZ ARG A 57 11.159 -13.387 0.304 1.00 0.00 C ATOM 845 NH1 ARG A 57 10.436 -13.685 -0.767 1.00 0.00 N ATOM 846 NH2 ARG A 57 12.056 -14.255 0.755 1.00 0.00 N ATOM 0 H ARG A 57 9.498 -6.214 0.695 1.00 0.00 H new ATOM 0 HA ARG A 57 7.658 -8.238 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.986 -8.984 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.444 -8.258 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.817 -9.979 2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.114 -10.351 2.236 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.052 -11.685 0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.335 -10.800 -0.464 1.00 0.00 H new ATOM 0 HE ARG A 57 11.560 -12.027 1.743 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.746 -13.021 -1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.570 -14.578 -1.241 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.614 -14.030 1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.187 -15.147 0.278 1.00 0.00 H new ATOM 860 N GLU A 58 8.481 -8.356 4.079 1.00 0.00 N ATOM 861 CA GLU A 58 8.905 -8.385 5.474 1.00 0.00 C ATOM 862 C GLU A 58 10.392 -8.712 5.583 1.00 0.00 C ATOM 863 O GLU A 58 10.842 -9.765 5.134 1.00 0.00 O ATOM 864 CB GLU A 58 8.086 -9.412 6.258 1.00 0.00 C ATOM 865 CG GLU A 58 6.851 -8.827 6.922 1.00 0.00 C ATOM 866 CD GLU A 58 7.147 -7.547 7.680 1.00 0.00 C ATOM 867 OE1 GLU A 58 7.058 -6.462 7.069 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.467 -7.631 8.884 1.00 0.00 O ATOM 0 H GLU A 58 7.569 -8.778 3.907 1.00 0.00 H new ATOM 0 HA GLU A 58 8.736 -7.396 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.781 -10.212 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.720 -9.863 7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.094 -8.629 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.429 -9.562 7.608 1.00 0.00 H new ATOM 875 N GLY A 59 11.150 -7.800 6.185 1.00 0.00 N ATOM 876 CA GLY A 59 12.577 -8.009 6.342 1.00 0.00 C ATOM 877 C GLY A 59 13.397 -7.141 5.408 1.00 0.00 C ATOM 878 O GLY A 59 14.469 -6.661 5.776 1.00 0.00 O ATOM 0 H GLY A 59 10.801 -6.921 6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.861 -7.797 7.373 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.810 -9.058 6.157 1.00 0.00 H new ATOM 882 N ASP A 60 12.894 -6.942 4.195 1.00 0.00 N ATOM 883 CA ASP A 60 13.587 -6.127 3.204 1.00 0.00 C ATOM 884 C ASP A 60 13.110 -4.679 3.261 1.00 0.00 C ATOM 885 O ASP A 60 11.909 -4.410 3.243 1.00 0.00 O ATOM 886 CB ASP A 60 13.367 -6.695 1.801 1.00 0.00 C ATOM 887 CG ASP A 60 14.115 -7.994 1.578 1.00 0.00 C ATOM 888 OD1 ASP A 60 14.045 -8.877 2.459 1.00 0.00 O ATOM 889 OD2 ASP A 60 14.771 -8.129 0.524 1.00 0.00 O ATOM 0 H ASP A 60 12.009 -7.334 3.874 1.00 0.00 H new ATOM 0 HA ASP A 60 14.652 -6.149 3.433 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.301 -6.861 1.643 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.689 -5.962 1.061 1.00 0.00 H new ATOM 894 N ASN A 61 14.058 -3.751 3.331 1.00 0.00 N ATOM 895 CA ASN A 61 13.735 -2.330 3.392 1.00 0.00 C ATOM 896 C ASN A 61 13.154 -1.847 2.067 1.00 0.00 C ATOM 897 O ASN A 61 12.105 -1.202 2.035 1.00 0.00 O ATOM 898 CB ASN A 61 14.982 -1.516 3.742 1.00 0.00 C ATOM 899 CG ASN A 61 15.769 -2.128 4.885 1.00 0.00 C ATOM 900 OD1 ASN A 61 16.728 -2.984 4.551 1.00 0.00 O flip ATOM 901 ND2 ASN A 61 15.519 -1.833 6.054 1.00 0.00 N flip ATOM 0 H ASN A 61 15.057 -3.957 3.347 1.00 0.00 H new ATOM 0 HA ASN A 61 12.986 -2.187 4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 61 15.622 -1.441 2.863 1.00 0.00 H new ATOM 0 HB3 ASN A 61 14.687 -0.501 4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.773 -1.170 6.264 1.00 0.00 H new ATOM 0 HD22 ASN A 61 16.058 -2.251 6.812 1.00 0.00 H new ATOM 908 N ARG A 62 13.842 -2.164 0.975 1.00 0.00 N ATOM 909 CA ARG A 62 13.395 -1.761 -0.353 1.00 0.00 C ATOM 910 C ARG A 62 11.913 -2.069 -0.544 1.00 0.00 C ATOM 911 O ARG A 62 11.472 -3.199 -0.334 1.00 0.00 O ATOM 912 CB ARG A 62 14.217 -2.473 -1.429 1.00 0.00 C ATOM 913 CG ARG A 62 13.922 -3.961 -1.537 1.00 0.00 C ATOM 914 CD ARG A 62 14.929 -4.665 -2.431 1.00 0.00 C ATOM 915 NE ARG A 62 14.667 -4.423 -3.847 1.00 0.00 N ATOM 916 CZ ARG A 62 15.195 -5.148 -4.827 1.00 0.00 C ATOM 917 NH1 ARG A 62 16.009 -6.156 -4.546 1.00 0.00 N ATOM 918 NH2 ARG A 62 14.909 -4.866 -6.092 1.00 0.00 N ATOM 0 H ARG A 62 14.711 -2.698 0.984 1.00 0.00 H new ATOM 0 HA ARG A 62 13.540 -0.685 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.024 -2.002 -2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.277 -2.336 -1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.940 -4.410 -0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.917 -4.106 -1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.934 -4.323 -2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.901 -5.737 -2.235 1.00 0.00 H new ATOM 0 HE ARG A 62 14.044 -3.655 -4.097 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.231 -6.377 -3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.413 -6.711 -5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.283 -4.092 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.315 -5.424 -6.843 1.00 0.00 H new ATOM 932 N GLU A 63 11.150 -1.056 -0.944 1.00 0.00 N ATOM 933 CA GLU A 63 9.717 -1.219 -1.161 1.00 0.00 C ATOM 934 C GLU A 63 9.333 -0.815 -2.582 1.00 0.00 C ATOM 935 O GLU A 63 9.944 0.076 -3.172 1.00 0.00 O ATOM 936 CB GLU A 63 8.927 -0.385 -0.151 1.00 0.00 C ATOM 937 CG GLU A 63 8.890 1.098 -0.483 1.00 0.00 C ATOM 938 CD GLU A 63 10.105 1.842 0.037 1.00 0.00 C ATOM 939 OE1 GLU A 63 11.125 1.182 0.325 1.00 0.00 O ATOM 940 OE2 GLU A 63 10.035 3.083 0.156 1.00 0.00 O ATOM 0 H GLU A 63 11.500 -0.115 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 63 9.472 -2.272 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.906 -0.763 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.365 -0.517 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.827 1.223 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.989 1.539 -0.058 1.00 0.00 H new ATOM 947 N ARG A 64 8.318 -1.478 -3.125 1.00 0.00 N ATOM 948 CA ARG A 64 7.853 -1.190 -4.477 1.00 0.00 C ATOM 949 C ARG A 64 6.858 -0.033 -4.475 1.00 0.00 C ATOM 950 O ARG A 64 6.457 0.452 -3.417 1.00 0.00 O ATOM 951 CB ARG A 64 7.206 -2.432 -5.092 1.00 0.00 C ATOM 952 CG ARG A 64 8.209 -3.431 -5.645 1.00 0.00 C ATOM 953 CD ARG A 64 8.745 -2.991 -6.998 1.00 0.00 C ATOM 954 NE ARG A 64 9.937 -2.156 -6.870 1.00 0.00 N ATOM 955 CZ ARG A 64 10.388 -1.367 -7.838 1.00 0.00 C ATOM 956 NH1 ARG A 64 9.751 -1.305 -8.999 1.00 0.00 N ATOM 957 NH2 ARG A 64 11.480 -0.637 -7.646 1.00 0.00 N ATOM 0 H ARG A 64 7.802 -2.218 -2.650 1.00 0.00 H new ATOM 0 HA ARG A 64 8.716 -0.903 -5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.594 -2.925 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 64 6.535 -2.123 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.036 -3.544 -4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.736 -4.408 -5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.981 -3.870 -7.598 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.972 -2.439 -7.532 1.00 0.00 H new ATOM 0 HE ARG A 64 10.451 -2.180 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.912 -1.864 -9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.100 -0.698 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.973 -0.682 -6.754 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.826 -0.031 -8.390 1.00 0.00 H new ATOM 971 N ALA A 65 6.465 0.404 -5.667 1.00 0.00 N ATOM 972 CA ALA A 65 5.516 1.502 -5.802 1.00 0.00 C ATOM 973 C ALA A 65 4.577 1.274 -6.981 1.00 0.00 C ATOM 974 O ALA A 65 4.997 0.811 -8.042 1.00 0.00 O ATOM 975 CB ALA A 65 6.256 2.822 -5.962 1.00 0.00 C ATOM 0 H ALA A 65 6.789 0.015 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 65 4.914 1.543 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.535 3.633 -6.062 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.881 2.997 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.883 2.782 -6.853 1.00 0.00 H new ATOM 981 N LEU A 66 3.304 1.601 -6.789 1.00 0.00 N ATOM 982 CA LEU A 66 2.303 1.431 -7.838 1.00 0.00 C ATOM 983 C LEU A 66 1.156 2.420 -7.661 1.00 0.00 C ATOM 984 O LEU A 66 0.372 2.316 -6.719 1.00 0.00 O ATOM 985 CB LEU A 66 1.764 0.000 -7.828 1.00 0.00 C ATOM 986 CG LEU A 66 0.497 -0.246 -8.648 1.00 0.00 C ATOM 987 CD1 LEU A 66 0.847 -0.517 -10.103 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.300 -1.403 -8.064 1.00 0.00 C ATOM 0 H LEU A 66 2.940 1.985 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 66 2.781 1.626 -8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.546 -0.664 -8.197 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.565 -0.285 -6.795 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.120 0.651 -8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.067 -0.690 -10.671 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.374 0.343 -10.517 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.485 -1.398 -10.166 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.198 -1.564 -8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.309 -2.307 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.583 -1.169 -7.038 1.00 0.00 H new ATOM 1000 N ASN A 67 1.063 3.380 -8.577 1.00 0.00 N ATOM 1001 CA ASN A 67 0.010 4.387 -8.523 1.00 0.00 C ATOM 1002 C ASN A 67 -0.905 4.283 -9.740 1.00 0.00 C ATOM 1003 O ASN A 67 -0.559 4.736 -10.832 1.00 0.00 O ATOM 1004 CB ASN A 67 0.619 5.789 -8.448 1.00 0.00 C ATOM 1005 CG ASN A 67 1.552 6.076 -9.608 1.00 0.00 C ATOM 1006 OD1 ASN A 67 2.645 5.515 -9.694 1.00 0.00 O ATOM 1007 ND2 ASN A 67 1.125 6.956 -10.507 1.00 0.00 N ATOM 0 H ASN A 67 1.704 3.481 -9.364 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.584 4.208 -7.627 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.181 6.530 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.165 5.895 -7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.710 7.191 -11.309 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.212 7.397 -10.396 1.00 0.00 H new ATOM 1014 N THR A 68 -2.076 3.684 -9.544 1.00 0.00 N ATOM 1015 CA THR A 68 -3.041 3.520 -10.624 1.00 0.00 C ATOM 1016 C THR A 68 -4.429 3.205 -10.078 1.00 0.00 C ATOM 1017 O THR A 68 -4.680 2.103 -9.589 1.00 0.00 O ATOM 1018 CB THR A 68 -2.615 2.399 -11.591 1.00 0.00 C ATOM 1019 OG1 THR A 68 -1.339 2.705 -12.164 1.00 0.00 O ATOM 1020 CG2 THR A 68 -3.644 2.220 -12.698 1.00 0.00 C ATOM 0 H THR A 68 -2.379 3.304 -8.647 1.00 0.00 H new ATOM 0 HA THR A 68 -3.073 4.465 -11.166 1.00 0.00 H new ATOM 0 HB THR A 68 -2.546 1.469 -11.027 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.101 3.633 -11.956 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.322 1.423 -13.369 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.608 1.959 -12.260 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.740 3.150 -13.259 1.00 0.00 H new ATOM 1028 N THR A 69 -5.329 4.179 -10.165 1.00 0.00 N ATOM 1029 CA THR A 69 -6.692 4.005 -9.679 1.00 0.00 C ATOM 1030 C THR A 69 -7.701 4.621 -10.642 1.00 0.00 C ATOM 1031 O THR A 69 -7.551 5.768 -11.062 1.00 0.00 O ATOM 1032 CB THR A 69 -6.877 4.637 -8.286 1.00 0.00 C ATOM 1033 OG1 THR A 69 -6.232 5.914 -8.238 1.00 0.00 O ATOM 1034 CG2 THR A 69 -6.306 3.734 -7.203 1.00 0.00 C ATOM 0 H THR A 69 -5.139 5.097 -10.568 1.00 0.00 H new ATOM 0 HA THR A 69 -6.868 2.932 -9.609 1.00 0.00 H new ATOM 0 HB THR A 69 -7.945 4.763 -8.107 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.356 6.310 -7.350 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.448 4.201 -6.228 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.819 2.772 -7.223 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.241 3.581 -7.381 1.00 0.00 H new ATOM 1042 N GLN A 70 -8.729 3.852 -10.985 1.00 0.00 N ATOM 1043 CA GLN A 70 -9.763 4.323 -11.899 1.00 0.00 C ATOM 1044 C GLN A 70 -10.275 5.697 -11.479 1.00 0.00 C ATOM 1045 O GLN A 70 -10.174 6.097 -10.319 1.00 0.00 O ATOM 1046 CB GLN A 70 -10.923 3.327 -11.948 1.00 0.00 C ATOM 1047 CG GLN A 70 -10.713 2.197 -12.943 1.00 0.00 C ATOM 1048 CD GLN A 70 -11.726 1.081 -12.780 1.00 0.00 C ATOM 1049 OE1 GLN A 70 -11.841 0.483 -11.710 1.00 0.00 O ATOM 1050 NE2 GLN A 70 -12.466 0.793 -13.844 1.00 0.00 N ATOM 0 H GLN A 70 -8.868 2.901 -10.644 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.323 4.407 -12.893 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.069 2.903 -10.955 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.838 3.860 -12.204 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.775 2.594 -13.956 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.709 1.792 -12.820 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.337 1.314 -14.711 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.163 0.050 -13.794 1.00 0.00 H new ATOM 1059 N PRO A 71 -10.838 6.440 -12.444 1.00 0.00 N ATOM 1060 CA PRO A 71 -11.377 7.781 -12.199 1.00 0.00 C ATOM 1061 C PRO A 71 -12.642 7.750 -11.348 1.00 0.00 C ATOM 1062 O PRO A 71 -13.755 7.745 -11.873 1.00 0.00 O ATOM 1063 CB PRO A 71 -11.690 8.300 -13.604 1.00 0.00 C ATOM 1064 CG PRO A 71 -11.908 7.074 -14.422 1.00 0.00 C ATOM 1065 CD PRO A 71 -10.992 6.027 -13.849 1.00 0.00 C ATOM 0 HA PRO A 71 -10.677 8.407 -11.645 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.574 8.937 -13.603 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -10.868 8.897 -13.998 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.948 6.752 -14.373 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.681 7.259 -15.472 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.423 5.029 -13.929 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.034 6.004 -14.368 1.00 0.00 H new ATOM 1073 N GLY A 72 -12.464 7.730 -10.031 1.00 0.00 N ATOM 1074 CA GLY A 72 -13.601 7.701 -9.129 1.00 0.00 C ATOM 1075 C GLY A 72 -13.708 6.390 -8.374 1.00 0.00 C ATOM 1076 O GLY A 72 -14.806 5.868 -8.176 1.00 0.00 O ATOM 0 H GLY A 72 -11.553 7.733 -9.572 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -13.517 8.521 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.516 7.865 -9.698 1.00 0.00 H new ATOM 1080 N SER A 73 -12.566 5.856 -7.953 1.00 0.00 N ATOM 1081 CA SER A 73 -12.536 4.596 -7.221 1.00 0.00 C ATOM 1082 C SER A 73 -11.360 4.559 -6.250 1.00 0.00 C ATOM 1083 O SER A 73 -10.248 4.966 -6.588 1.00 0.00 O ATOM 1084 CB SER A 73 -12.445 3.418 -8.194 1.00 0.00 C ATOM 1085 OG SER A 73 -13.036 2.254 -7.643 1.00 0.00 O ATOM 0 H SER A 73 -11.650 6.277 -8.106 1.00 0.00 H new ATOM 0 HA SER A 73 -13.460 4.515 -6.649 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.944 3.675 -9.129 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.400 3.220 -8.434 1.00 0.00 H new ATOM 0 HG SER A 73 -12.966 1.517 -8.285 1.00 0.00 H new ATOM 1091 N LEU A 74 -11.614 4.070 -5.041 1.00 0.00 N ATOM 1092 CA LEU A 74 -10.577 3.980 -4.019 1.00 0.00 C ATOM 1093 C LEU A 74 -10.155 2.531 -3.798 1.00 0.00 C ATOM 1094 O LEU A 74 -9.864 2.124 -2.674 1.00 0.00 O ATOM 1095 CB LEU A 74 -11.076 4.584 -2.705 1.00 0.00 C ATOM 1096 CG LEU A 74 -11.291 6.097 -2.701 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -9.984 6.824 -2.979 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -12.348 6.488 -3.724 1.00 0.00 C ATOM 0 H LEU A 74 -12.529 3.730 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.710 4.543 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.018 4.103 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.361 4.337 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.643 6.391 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.158 7.900 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.255 6.569 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.601 6.524 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.488 7.569 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.024 6.179 -4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.290 5.996 -3.480 1.00 0.00 H new ATOM 1110 N GLN A 75 -10.123 1.758 -4.879 1.00 0.00 N ATOM 1111 CA GLN A 75 -9.734 0.354 -4.803 1.00 0.00 C ATOM 1112 C GLN A 75 -8.593 0.052 -5.769 1.00 0.00 C ATOM 1113 O GLN A 75 -8.597 0.509 -6.913 1.00 0.00 O ATOM 1114 CB GLN A 75 -10.932 -0.546 -5.112 1.00 0.00 C ATOM 1115 CG GLN A 75 -11.899 -0.692 -3.948 1.00 0.00 C ATOM 1116 CD GLN A 75 -13.289 -1.103 -4.392 1.00 0.00 C ATOM 1117 OE1 GLN A 75 -13.471 -1.633 -5.489 1.00 0.00 O ATOM 1118 NE2 GLN A 75 -14.279 -0.861 -3.541 1.00 0.00 N ATOM 0 H GLN A 75 -10.361 2.080 -5.817 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.389 0.153 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.468 -0.141 -5.970 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.570 -1.533 -5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.511 -1.433 -3.249 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.959 0.254 -3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -14.083 -0.420 -2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -15.236 -1.116 -3.786 1.00 0.00 H new ATOM 1127 N LEU A 76 -7.618 -0.719 -5.301 1.00 0.00 N ATOM 1128 CA LEU A 76 -6.469 -1.083 -6.124 1.00 0.00 C ATOM 1129 C LEU A 76 -6.128 -2.560 -5.960 1.00 0.00 C ATOM 1130 O LEU A 76 -6.179 -3.102 -4.855 1.00 0.00 O ATOM 1131 CB LEU A 76 -5.259 -0.224 -5.753 1.00 0.00 C ATOM 1132 CG LEU A 76 -3.931 -0.622 -6.397 1.00 0.00 C ATOM 1133 CD1 LEU A 76 -3.965 -0.364 -7.895 1.00 0.00 C ATOM 1134 CD2 LEU A 76 -2.778 0.132 -5.750 1.00 0.00 C ATOM 0 H LEU A 76 -7.600 -1.104 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.729 -0.903 -7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.476 0.809 -6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.137 -0.251 -4.670 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.777 -1.689 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.011 -0.653 -8.336 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.766 -0.949 -8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.142 0.696 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.840 -0.164 -6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.927 1.204 -5.879 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.740 -0.104 -4.686 1.00 0.00 H new ATOM 1146 N THR A 77 -5.777 -3.208 -7.066 1.00 0.00 N ATOM 1147 CA THR A 77 -5.425 -4.622 -7.045 1.00 0.00 C ATOM 1148 C THR A 77 -3.936 -4.823 -7.301 1.00 0.00 C ATOM 1149 O THR A 77 -3.438 -4.534 -8.389 1.00 0.00 O ATOM 1150 CB THR A 77 -6.226 -5.416 -8.095 1.00 0.00 C ATOM 1151 OG1 THR A 77 -7.627 -5.319 -7.818 1.00 0.00 O ATOM 1152 CG2 THR A 77 -5.805 -6.878 -8.105 1.00 0.00 C ATOM 0 H THR A 77 -5.729 -2.775 -7.988 1.00 0.00 H new ATOM 0 HA THR A 77 -5.673 -4.994 -6.051 1.00 0.00 H new ATOM 0 HB THR A 77 -6.020 -4.989 -9.076 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.129 -5.825 -8.491 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.384 -7.418 -8.854 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.744 -6.950 -8.345 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.985 -7.315 -7.123 1.00 0.00 H new ATOM 1160 N VAL A 78 -3.228 -5.319 -6.291 1.00 0.00 N ATOM 1161 CA VAL A 78 -1.795 -5.560 -6.407 1.00 0.00 C ATOM 1162 C VAL A 78 -1.504 -7.037 -6.649 1.00 0.00 C ATOM 1163 O VAL A 78 -1.589 -7.855 -5.734 1.00 0.00 O ATOM 1164 CB VAL A 78 -1.044 -5.101 -5.143 1.00 0.00 C ATOM 1165 CG1 VAL A 78 0.449 -5.347 -5.289 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -1.326 -3.632 -4.860 1.00 0.00 C ATOM 0 H VAL A 78 -3.624 -5.562 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.445 -4.979 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.402 -5.686 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.962 -5.016 -4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.629 -6.411 -5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.827 -4.790 -6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.788 -3.324 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.997 -3.029 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.396 -3.490 -4.707 1.00 0.00 H new ATOM 1176 N GLY A 79 -1.159 -7.371 -7.889 1.00 0.00 N ATOM 1177 CA GLY A 79 -0.859 -8.749 -8.230 1.00 0.00 C ATOM 1178 C GLY A 79 0.620 -9.063 -8.129 1.00 0.00 C ATOM 1179 O GLY A 79 1.354 -8.398 -7.400 1.00 0.00 O ATOM 0 H GLY A 79 -1.082 -6.712 -8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.414 -9.413 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.202 -8.952 -9.245 1.00 0.00 H new ATOM 1183 N ASN A 80 1.059 -10.081 -8.863 1.00 0.00 N ATOM 1184 CA ASN A 80 2.461 -10.483 -8.851 1.00 0.00 C ATOM 1185 C ASN A 80 2.975 -10.622 -7.422 1.00 0.00 C ATOM 1186 O ASN A 80 3.995 -10.034 -7.058 1.00 0.00 O ATOM 1187 CB ASN A 80 3.311 -9.466 -9.615 1.00 0.00 C ATOM 1188 CG ASN A 80 2.774 -8.054 -9.490 1.00 0.00 C ATOM 1189 OD1 ASN A 80 3.163 -7.308 -8.590 1.00 0.00 O ATOM 1190 ND2 ASN A 80 1.876 -7.679 -10.394 1.00 0.00 N ATOM 0 H ASN A 80 0.464 -10.642 -9.473 1.00 0.00 H new ATOM 0 HA ASN A 80 2.539 -11.453 -9.342 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.334 -9.497 -9.240 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.348 -9.746 -10.668 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.480 -6.740 -10.360 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.583 -8.330 -11.122 1.00 0.00 H new ATOM 1197 N LEU A 81 2.263 -11.401 -6.616 1.00 0.00 N ATOM 1198 CA LEU A 81 2.648 -11.618 -5.225 1.00 0.00 C ATOM 1199 C LEU A 81 3.010 -13.080 -4.982 1.00 0.00 C ATOM 1200 O LEU A 81 2.612 -13.964 -5.740 1.00 0.00 O ATOM 1201 CB LEU A 81 1.512 -11.200 -4.290 1.00 0.00 C ATOM 1202 CG LEU A 81 1.161 -9.711 -4.284 1.00 0.00 C ATOM 1203 CD1 LEU A 81 -0.078 -9.458 -3.440 1.00 0.00 C ATOM 1204 CD2 LEU A 81 2.335 -8.889 -3.772 1.00 0.00 C ATOM 0 H LEU A 81 1.416 -11.893 -6.901 1.00 0.00 H new ATOM 0 HA LEU A 81 3.526 -11.006 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.619 -11.762 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.777 -11.494 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 81 0.947 -9.403 -5.307 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.312 -8.393 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.918 -10.017 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.107 -9.781 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.068 -7.832 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.581 -9.199 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.199 -9.046 -4.418 1.00 0.00 H new ATOM 1216 N LYS A 82 3.765 -13.327 -3.917 1.00 0.00 N ATOM 1217 CA LYS A 82 4.179 -14.682 -3.570 1.00 0.00 C ATOM 1218 C LYS A 82 3.406 -15.193 -2.358 1.00 0.00 C ATOM 1219 O LYS A 82 3.217 -14.484 -1.368 1.00 0.00 O ATOM 1220 CB LYS A 82 5.682 -14.721 -3.284 1.00 0.00 C ATOM 1221 CG LYS A 82 6.239 -16.128 -3.152 1.00 0.00 C ATOM 1222 CD LYS A 82 7.681 -16.113 -2.672 1.00 0.00 C ATOM 1223 CE LYS A 82 8.166 -17.512 -2.324 1.00 0.00 C ATOM 1224 NZ LYS A 82 9.599 -17.517 -1.919 1.00 0.00 N ATOM 0 H LYS A 82 4.103 -12.607 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 82 3.960 -15.331 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.210 -14.204 -4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.883 -14.172 -2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.628 -16.698 -2.453 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.180 -16.636 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.319 -15.687 -3.446 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.768 -15.468 -1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.558 -17.916 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.029 -18.168 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.892 -18.488 -1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.182 -17.155 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.726 -16.911 -1.083 1.00 0.00 H new ATOM 1238 N PRO A 83 2.950 -16.452 -2.433 1.00 0.00 N ATOM 1239 CA PRO A 83 2.193 -17.085 -1.350 1.00 0.00 C ATOM 1240 C PRO A 83 3.058 -17.369 -0.126 1.00 0.00 C ATOM 1241 O PRO A 83 4.282 -17.446 -0.226 1.00 0.00 O ATOM 1242 CB PRO A 83 1.707 -18.395 -1.975 1.00 0.00 C ATOM 1243 CG PRO A 83 2.693 -18.689 -3.053 1.00 0.00 C ATOM 1244 CD PRO A 83 3.138 -17.354 -3.582 1.00 0.00 C ATOM 0 HA PRO A 83 1.389 -16.445 -0.988 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.675 -19.197 -1.238 1.00 0.00 H new ATOM 0 HB3 PRO A 83 0.699 -18.292 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.539 -19.256 -2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.241 -19.290 -3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.178 -17.377 -3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.541 -17.042 -4.439 1.00 0.00 H new ATOM 1252 N GLU A 84 2.414 -17.522 1.026 1.00 0.00 N ATOM 1253 CA GLU A 84 3.126 -17.796 2.269 1.00 0.00 C ATOM 1254 C GLU A 84 4.200 -16.742 2.524 1.00 0.00 C ATOM 1255 O GLU A 84 5.369 -17.069 2.729 1.00 0.00 O ATOM 1256 CB GLU A 84 3.762 -19.187 2.221 1.00 0.00 C ATOM 1257 CG GLU A 84 2.753 -20.321 2.284 1.00 0.00 C ATOM 1258 CD GLU A 84 3.373 -21.672 1.985 1.00 0.00 C ATOM 1259 OE1 GLU A 84 3.743 -21.910 0.817 1.00 0.00 O ATOM 1260 OE2 GLU A 84 3.488 -22.491 2.921 1.00 0.00 O ATOM 0 H GLU A 84 1.401 -17.461 1.125 1.00 0.00 H new ATOM 0 HA GLU A 84 2.406 -17.761 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.343 -19.280 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.460 -19.287 3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.300 -20.345 3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.951 -20.128 1.572 1.00 0.00 H new ATOM 1267 N ALA A 85 3.794 -15.477 2.510 1.00 0.00 N ATOM 1268 CA ALA A 85 4.719 -14.375 2.741 1.00 0.00 C ATOM 1269 C ALA A 85 3.973 -13.106 3.141 1.00 0.00 C ATOM 1270 O ALA A 85 3.031 -12.691 2.468 1.00 0.00 O ATOM 1271 CB ALA A 85 5.562 -14.124 1.499 1.00 0.00 C ATOM 0 H ALA A 85 2.830 -15.190 2.341 1.00 0.00 H new ATOM 0 HA ALA A 85 5.377 -14.653 3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.248 -13.298 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.131 -15.022 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.911 -13.872 0.662 1.00 0.00 H new ATOM 1277 N MET A 86 4.402 -12.496 4.241 1.00 0.00 N ATOM 1278 CA MET A 86 3.774 -11.274 4.730 1.00 0.00 C ATOM 1279 C MET A 86 4.269 -10.059 3.951 1.00 0.00 C ATOM 1280 O MET A 86 5.456 -9.951 3.640 1.00 0.00 O ATOM 1281 CB MET A 86 4.060 -11.090 6.221 1.00 0.00 C ATOM 1282 CG MET A 86 3.507 -9.793 6.791 1.00 0.00 C ATOM 1283 SD MET A 86 3.465 -9.788 8.593 1.00 0.00 S ATOM 1284 CE MET A 86 1.974 -10.733 8.900 1.00 0.00 C ATOM 0 H MET A 86 5.181 -12.827 4.810 1.00 0.00 H new ATOM 0 HA MET A 86 2.698 -11.364 4.583 1.00 0.00 H new ATOM 0 HB2 MET A 86 3.634 -11.929 6.771 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.138 -11.118 6.382 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.117 -8.959 6.443 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.499 -9.633 6.408 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.236 -10.099 9.392 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.570 -11.093 7.954 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.208 -11.583 9.541 1.00 0.00 H new ATOM 1294 N TYR A 87 3.354 -9.148 3.641 1.00 0.00 N ATOM 1295 CA TYR A 87 3.698 -7.942 2.896 1.00 0.00 C ATOM 1296 C TYR A 87 2.979 -6.725 3.468 1.00 0.00 C ATOM 1297 O TYR A 87 1.769 -6.753 3.697 1.00 0.00 O ATOM 1298 CB TYR A 87 3.342 -8.111 1.418 1.00 0.00 C ATOM 1299 CG TYR A 87 4.343 -8.940 0.645 1.00 0.00 C ATOM 1300 CD1 TYR A 87 4.206 -10.319 0.550 1.00 0.00 C ATOM 1301 CD2 TYR A 87 5.426 -8.344 0.011 1.00 0.00 C ATOM 1302 CE1 TYR A 87 5.118 -11.081 -0.155 1.00 0.00 C ATOM 1303 CE2 TYR A 87 6.342 -9.097 -0.697 1.00 0.00 C ATOM 1304 CZ TYR A 87 6.184 -10.465 -0.777 1.00 0.00 C ATOM 1305 OH TYR A 87 7.095 -11.219 -1.480 1.00 0.00 O ATOM 0 H TYR A 87 2.368 -9.221 3.894 1.00 0.00 H new ATOM 0 HA TYR A 87 4.772 -7.783 2.988 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.360 -8.577 1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.265 -7.126 0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.372 -10.804 1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.554 -7.273 0.073 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.997 -12.152 -0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 87 7.177 -8.617 -1.185 1.00 0.00 H new ATOM 0 HH TYR A 87 7.783 -10.632 -1.857 1.00 0.00 H new ATOM 1315 N THR A 88 3.732 -5.654 3.698 1.00 0.00 N ATOM 1316 CA THR A 88 3.169 -4.425 4.244 1.00 0.00 C ATOM 1317 C THR A 88 2.644 -3.521 3.135 1.00 0.00 C ATOM 1318 O THR A 88 3.402 -3.075 2.273 1.00 0.00 O ATOM 1319 CB THR A 88 4.210 -3.650 5.074 1.00 0.00 C ATOM 1320 OG1 THR A 88 4.811 -4.519 6.040 1.00 0.00 O ATOM 1321 CG2 THR A 88 3.566 -2.466 5.780 1.00 0.00 C ATOM 0 H THR A 88 4.734 -5.613 3.514 1.00 0.00 H new ATOM 0 HA THR A 88 2.343 -4.717 4.893 1.00 0.00 H new ATOM 0 HB THR A 88 4.977 -3.275 4.396 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.473 -4.019 6.562 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.320 -1.934 6.360 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.135 -1.792 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.781 -2.823 6.447 1.00 0.00 H new ATOM 1329 N PHE A 89 1.343 -3.253 3.162 1.00 0.00 N ATOM 1330 CA PHE A 89 0.716 -2.401 2.158 1.00 0.00 C ATOM 1331 C PHE A 89 0.390 -1.027 2.737 1.00 0.00 C ATOM 1332 O PHE A 89 0.112 -0.895 3.929 1.00 0.00 O ATOM 1333 CB PHE A 89 -0.558 -3.058 1.624 1.00 0.00 C ATOM 1334 CG PHE A 89 -0.297 -4.272 0.780 1.00 0.00 C ATOM 1335 CD1 PHE A 89 0.157 -5.448 1.355 1.00 0.00 C ATOM 1336 CD2 PHE A 89 -0.508 -4.239 -0.589 1.00 0.00 C ATOM 1337 CE1 PHE A 89 0.399 -6.567 0.580 1.00 0.00 C ATOM 1338 CE2 PHE A 89 -0.269 -5.354 -1.369 1.00 0.00 C ATOM 1339 CZ PHE A 89 0.184 -6.520 -0.784 1.00 0.00 C ATOM 0 H PHE A 89 0.702 -3.614 3.869 1.00 0.00 H new ATOM 0 HA PHE A 89 1.421 -2.271 1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.192 -3.339 2.465 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.114 -2.329 1.035 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.324 -5.491 2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.864 -3.330 -1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.756 -7.477 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.436 -5.314 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.370 -7.393 -1.391 1.00 0.00 H new ATOM 1349 N ARG A 90 0.426 -0.008 1.885 1.00 0.00 N ATOM 1350 CA ARG A 90 0.136 1.355 2.312 1.00 0.00 C ATOM 1351 C ARG A 90 -0.561 2.136 1.201 1.00 0.00 C ATOM 1352 O ARG A 90 -0.510 1.752 0.032 1.00 0.00 O ATOM 1353 CB ARG A 90 1.425 2.070 2.720 1.00 0.00 C ATOM 1354 CG ARG A 90 2.205 1.346 3.806 1.00 0.00 C ATOM 1355 CD ARG A 90 3.503 2.066 4.133 1.00 0.00 C ATOM 1356 NE ARG A 90 3.268 3.336 4.816 1.00 0.00 N ATOM 1357 CZ ARG A 90 4.189 3.963 5.539 1.00 0.00 C ATOM 1358 NH1 ARG A 90 5.401 3.441 5.673 1.00 0.00 N ATOM 1359 NH2 ARG A 90 3.899 5.115 6.130 1.00 0.00 N ATOM 0 H ARG A 90 0.653 -0.101 0.895 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.532 1.305 3.172 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.061 2.184 1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.180 3.073 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.594 1.269 4.705 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.424 0.329 3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.124 1.427 4.760 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.059 2.247 3.213 1.00 0.00 H new ATOM 0 HE ARG A 90 2.346 3.765 4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.628 2.556 5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.106 3.925 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.968 5.520 6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.607 5.596 6.685 1.00 0.00 H new ATOM 1373 N VAL A 91 -1.212 3.233 1.574 1.00 0.00 N ATOM 1374 CA VAL A 91 -1.919 4.067 0.610 1.00 0.00 C ATOM 1375 C VAL A 91 -1.651 5.547 0.864 1.00 0.00 C ATOM 1376 O VAL A 91 -1.437 5.964 2.002 1.00 0.00 O ATOM 1377 CB VAL A 91 -3.438 3.816 0.657 1.00 0.00 C ATOM 1378 CG1 VAL A 91 -4.170 4.803 -0.240 1.00 0.00 C ATOM 1379 CG2 VAL A 91 -3.753 2.383 0.257 1.00 0.00 C ATOM 0 H VAL A 91 -1.264 3.565 2.537 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.545 3.797 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.783 3.967 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.242 4.611 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.969 5.820 0.098 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.824 4.687 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.830 2.223 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.395 2.201 -0.756 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.259 1.696 0.945 1.00 0.00 H new ATOM 1389 N VAL A 92 -1.665 6.337 -0.205 1.00 0.00 N ATOM 1390 CA VAL A 92 -1.426 7.771 -0.098 1.00 0.00 C ATOM 1391 C VAL A 92 -2.169 8.535 -1.189 1.00 0.00 C ATOM 1392 O VAL A 92 -2.238 8.091 -2.334 1.00 0.00 O ATOM 1393 CB VAL A 92 0.077 8.098 -0.191 1.00 0.00 C ATOM 1394 CG1 VAL A 92 0.307 9.596 -0.064 1.00 0.00 C ATOM 1395 CG2 VAL A 92 0.853 7.339 0.874 1.00 0.00 C ATOM 0 H VAL A 92 -1.839 6.008 -1.155 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.799 8.082 0.878 1.00 0.00 H new ATOM 0 HB VAL A 92 0.440 7.781 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.374 9.807 -0.132 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.217 10.114 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.071 9.942 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.913 7.581 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.489 7.623 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.714 6.267 0.731 1.00 0.00 H new ATOM 1405 N ALA A 93 -2.723 9.686 -0.824 1.00 0.00 N ATOM 1406 CA ALA A 93 -3.459 10.514 -1.772 1.00 0.00 C ATOM 1407 C ALA A 93 -2.563 11.591 -2.372 1.00 0.00 C ATOM 1408 O ALA A 93 -1.857 12.298 -1.652 1.00 0.00 O ATOM 1409 CB ALA A 93 -4.666 11.146 -1.094 1.00 0.00 C ATOM 0 H ALA A 93 -2.676 10.067 0.121 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.805 9.874 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.206 11.762 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.325 10.362 -0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.333 11.767 -0.263 1.00 0.00 H new ATOM 1415 N TYR A 94 -2.594 11.711 -3.695 1.00 0.00 N ATOM 1416 CA TYR A 94 -1.781 12.701 -4.392 1.00 0.00 C ATOM 1417 C TYR A 94 -2.659 13.677 -5.168 1.00 0.00 C ATOM 1418 O TYR A 94 -3.294 13.309 -6.155 1.00 0.00 O ATOM 1419 CB TYR A 94 -0.804 12.009 -5.344 1.00 0.00 C ATOM 1420 CG TYR A 94 0.469 11.545 -4.672 1.00 0.00 C ATOM 1421 CD1 TYR A 94 0.506 10.353 -3.959 1.00 0.00 C ATOM 1422 CD2 TYR A 94 1.634 12.297 -4.750 1.00 0.00 C ATOM 1423 CE1 TYR A 94 1.666 9.924 -3.343 1.00 0.00 C ATOM 1424 CE2 TYR A 94 2.799 11.876 -4.139 1.00 0.00 C ATOM 1425 CZ TYR A 94 2.810 10.689 -3.436 1.00 0.00 C ATOM 1426 OH TYR A 94 3.968 10.267 -2.825 1.00 0.00 O ATOM 0 H TYR A 94 -3.173 11.135 -4.306 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.217 13.261 -3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.299 11.151 -5.799 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.549 12.695 -6.152 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.388 9.751 -3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.629 13.228 -5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 94 1.677 8.995 -2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.696 12.473 -4.211 1.00 0.00 H new ATOM 0 HH TYR A 94 4.681 10.920 -2.988 1.00 0.00 H new ATOM 1436 N ASN A 95 -2.689 14.926 -4.714 1.00 0.00 N ATOM 1437 CA ASN A 95 -3.488 15.958 -5.364 1.00 0.00 C ATOM 1438 C ASN A 95 -2.599 17.067 -5.918 1.00 0.00 C ATOM 1439 O ASN A 95 -1.377 17.021 -5.781 1.00 0.00 O ATOM 1440 CB ASN A 95 -4.501 16.545 -4.379 1.00 0.00 C ATOM 1441 CG ASN A 95 -3.947 17.736 -3.621 1.00 0.00 C ATOM 1442 OD1 ASN A 95 -4.109 18.882 -4.040 1.00 0.00 O ATOM 1443 ND2 ASN A 95 -3.288 17.469 -2.500 1.00 0.00 N ATOM 0 H ASN A 95 -2.169 15.248 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.024 15.498 -6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.397 16.847 -4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.802 15.774 -3.669 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -2.892 18.230 -1.948 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.178 16.503 -2.191 1.00 0.00 H new ATOM 1450 N GLU A 96 -3.222 18.062 -6.542 1.00 0.00 N ATOM 1451 CA GLU A 96 -2.486 19.182 -7.116 1.00 0.00 C ATOM 1452 C GLU A 96 -1.265 19.524 -6.266 1.00 0.00 C ATOM 1453 O GLU A 96 -0.138 19.543 -6.760 1.00 0.00 O ATOM 1454 CB GLU A 96 -3.394 20.407 -7.240 1.00 0.00 C ATOM 1455 CG GLU A 96 -4.253 20.404 -8.493 1.00 0.00 C ATOM 1456 CD GLU A 96 -4.962 21.726 -8.718 1.00 0.00 C ATOM 1457 OE1 GLU A 96 -5.934 22.009 -7.988 1.00 0.00 O ATOM 1458 OE2 GLU A 96 -4.544 22.476 -9.625 1.00 0.00 O ATOM 0 H GLU A 96 -4.233 18.115 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 96 -2.145 18.889 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.042 20.458 -6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.779 21.307 -7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.628 20.180 -9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.993 19.607 -8.420 1.00 0.00 H new ATOM 1465 N TRP A 97 -1.499 19.794 -4.987 1.00 0.00 N ATOM 1466 CA TRP A 97 -0.420 20.136 -4.069 1.00 0.00 C ATOM 1467 C TRP A 97 0.617 19.020 -4.008 1.00 0.00 C ATOM 1468 O TRP A 97 1.757 19.195 -4.437 1.00 0.00 O ATOM 1469 CB TRP A 97 -0.978 20.407 -2.671 1.00 0.00 C ATOM 1470 CG TRP A 97 -2.156 21.334 -2.671 1.00 0.00 C ATOM 1471 CD1 TRP A 97 -3.417 21.057 -2.225 1.00 0.00 C ATOM 1472 CD2 TRP A 97 -2.183 22.686 -3.142 1.00 0.00 C ATOM 1473 NE1 TRP A 97 -4.226 22.155 -2.390 1.00 0.00 N ATOM 1474 CE2 TRP A 97 -3.493 23.168 -2.949 1.00 0.00 C ATOM 1475 CE3 TRP A 97 -1.228 23.536 -3.705 1.00 0.00 C ATOM 1476 CZ2 TRP A 97 -3.868 24.461 -3.302 1.00 0.00 C ATOM 1477 CZ3 TRP A 97 -1.603 24.820 -4.054 1.00 0.00 C ATOM 1478 CH2 TRP A 97 -2.913 25.272 -3.851 1.00 0.00 C ATOM 0 H TRP A 97 -2.426 19.783 -4.562 1.00 0.00 H new ATOM 0 HA TRP A 97 0.066 21.039 -4.440 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -1.269 19.461 -2.214 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.190 20.832 -2.049 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -3.732 20.113 -1.804 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -5.213 22.207 -2.137 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -0.215 23.196 -3.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -4.878 24.812 -3.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -0.873 25.486 -4.491 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -3.174 26.281 -4.134 1.00 0.00 H new ATOM 1489 N GLY A 98 0.214 17.872 -3.472 1.00 0.00 N ATOM 1490 CA GLY A 98 1.121 16.744 -3.365 1.00 0.00 C ATOM 1491 C GLY A 98 0.611 15.677 -2.418 1.00 0.00 C ATOM 1492 O GLY A 98 -0.585 15.582 -2.142 1.00 0.00 O ATOM 0 H GLY A 98 -0.724 17.703 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.271 16.307 -4.352 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.094 17.095 -3.021 1.00 0.00 H new ATOM 1496 N PRO A 99 1.531 14.848 -1.902 1.00 0.00 N ATOM 1497 CA PRO A 99 1.191 13.767 -0.973 1.00 0.00 C ATOM 1498 C PRO A 99 0.756 14.291 0.392 1.00 0.00 C ATOM 1499 O PRO A 99 1.432 15.126 0.991 1.00 0.00 O ATOM 1500 CB PRO A 99 2.498 12.979 -0.851 1.00 0.00 C ATOM 1501 CG PRO A 99 3.566 13.967 -1.170 1.00 0.00 C ATOM 1502 CD PRO A 99 2.975 14.904 -2.186 1.00 0.00 C ATOM 0 HA PRO A 99 0.350 13.172 -1.331 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.622 12.571 0.152 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.519 12.137 -1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.877 14.507 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.451 13.470 -1.566 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.367 15.915 -2.076 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.197 14.585 -3.204 1.00 0.00 H new ATOM 1510 N GLY A 100 -0.378 13.794 0.878 1.00 0.00 N ATOM 1511 CA GLY A 100 -0.883 14.223 2.168 1.00 0.00 C ATOM 1512 C GLY A 100 -0.649 13.192 3.255 1.00 0.00 C ATOM 1513 O GLY A 100 0.228 12.338 3.129 1.00 0.00 O ATOM 0 H GLY A 100 -0.955 13.102 0.401 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.401 15.159 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.951 14.425 2.087 1.00 0.00 H new ATOM 1517 N GLU A 101 -1.434 13.274 4.325 1.00 0.00 N ATOM 1518 CA GLU A 101 -1.304 12.341 5.438 1.00 0.00 C ATOM 1519 C GLU A 101 -1.325 10.898 4.945 1.00 0.00 C ATOM 1520 O GLU A 101 -2.184 10.514 4.150 1.00 0.00 O ATOM 1521 CB GLU A 101 -2.431 12.562 6.450 1.00 0.00 C ATOM 1522 CG GLU A 101 -2.159 13.694 7.427 1.00 0.00 C ATOM 1523 CD GLU A 101 -2.440 15.059 6.830 1.00 0.00 C ATOM 1524 OE1 GLU A 101 -3.337 15.156 5.966 1.00 0.00 O ATOM 1525 OE2 GLU A 101 -1.763 16.031 7.227 1.00 0.00 O ATOM 0 H GLU A 101 -2.165 13.975 4.444 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.346 12.526 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.355 12.772 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.591 11.641 7.010 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.774 13.557 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.119 13.649 7.749 1.00 0.00 H new ATOM 1532 N SER A 102 -0.373 10.102 5.421 1.00 0.00 N ATOM 1533 CA SER A 102 -0.278 8.702 5.025 1.00 0.00 C ATOM 1534 C SER A 102 -1.068 7.812 5.981 1.00 0.00 C ATOM 1535 O SER A 102 -1.171 8.101 7.173 1.00 0.00 O ATOM 1536 CB SER A 102 1.185 8.258 4.989 1.00 0.00 C ATOM 1537 OG SER A 102 1.882 8.882 3.924 1.00 0.00 O ATOM 0 H SER A 102 0.344 10.403 6.082 1.00 0.00 H new ATOM 0 HA SER A 102 -0.705 8.603 4.027 1.00 0.00 H new ATOM 0 HB2 SER A 102 1.666 8.504 5.936 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.237 7.175 4.877 1.00 0.00 H new ATOM 0 HG SER A 102 2.815 8.583 3.924 1.00 0.00 H new ATOM 1543 N SER A 103 -1.623 6.728 5.448 1.00 0.00 N ATOM 1544 CA SER A 103 -2.407 5.798 6.252 1.00 0.00 C ATOM 1545 C SER A 103 -1.498 4.834 7.009 1.00 0.00 C ATOM 1546 O SER A 103 -0.302 4.745 6.730 1.00 0.00 O ATOM 1547 CB SER A 103 -3.374 5.013 5.364 1.00 0.00 C ATOM 1548 OG SER A 103 -2.683 4.352 4.318 1.00 0.00 O ATOM 0 H SER A 103 -1.544 6.472 4.464 1.00 0.00 H new ATOM 0 HA SER A 103 -2.979 6.377 6.977 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.914 4.282 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.117 5.690 4.942 1.00 0.00 H new ATOM 0 HG SER A 103 -2.482 4.992 3.603 1.00 0.00 H new ATOM 1554 N GLN A 104 -2.074 4.116 7.967 1.00 0.00 N ATOM 1555 CA GLN A 104 -1.316 3.160 8.765 1.00 0.00 C ATOM 1556 C GLN A 104 -0.953 1.930 7.940 1.00 0.00 C ATOM 1557 O GLN A 104 -1.776 1.376 7.211 1.00 0.00 O ATOM 1558 CB GLN A 104 -2.119 2.743 9.998 1.00 0.00 C ATOM 1559 CG GLN A 104 -1.336 1.872 10.968 1.00 0.00 C ATOM 1560 CD GLN A 104 -2.156 1.461 12.175 1.00 0.00 C ATOM 1561 OE1 GLN A 104 -2.965 2.237 12.685 1.00 0.00 O ATOM 1562 NE2 GLN A 104 -1.951 0.234 12.640 1.00 0.00 N ATOM 0 H GLN A 104 -3.063 4.178 8.210 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.394 3.644 9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.459 3.638 10.519 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -3.010 2.204 9.676 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.988 0.979 10.449 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.450 2.412 11.302 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.271 -0.376 12.187 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.474 -0.098 13.450 1.00 0.00 H new ATOM 1571 N PRO A 105 0.310 1.491 8.056 1.00 0.00 N ATOM 1572 CA PRO A 105 0.811 0.321 7.328 1.00 0.00 C ATOM 1573 C PRO A 105 0.207 -0.982 7.839 1.00 0.00 C ATOM 1574 O PRO A 105 0.377 -1.340 9.005 1.00 0.00 O ATOM 1575 CB PRO A 105 2.317 0.355 7.597 1.00 0.00 C ATOM 1576 CG PRO A 105 2.456 1.089 8.885 1.00 0.00 C ATOM 1577 CD PRO A 105 1.345 2.103 8.906 1.00 0.00 C ATOM 0 HA PRO A 105 0.552 0.357 6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.729 -0.652 7.669 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.851 0.862 6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.379 0.408 9.733 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.429 1.575 8.954 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.981 2.280 9.918 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.672 3.065 8.512 1.00 0.00 H new ATOM 1585 N ILE A 106 -0.497 -1.688 6.960 1.00 0.00 N ATOM 1586 CA ILE A 106 -1.124 -2.952 7.324 1.00 0.00 C ATOM 1587 C ILE A 106 -0.262 -4.136 6.896 1.00 0.00 C ATOM 1588 O ILE A 106 0.582 -4.015 6.008 1.00 0.00 O ATOM 1589 CB ILE A 106 -2.519 -3.092 6.688 1.00 0.00 C ATOM 1590 CG1 ILE A 106 -2.407 -3.137 5.163 1.00 0.00 C ATOM 1591 CG2 ILE A 106 -3.417 -1.944 7.125 1.00 0.00 C ATOM 1592 CD1 ILE A 106 -3.622 -3.730 4.485 1.00 0.00 C ATOM 0 H ILE A 106 -0.647 -1.406 5.991 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.226 -2.953 8.409 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.965 -4.027 7.028 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.249 -2.126 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.527 -3.719 4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.400 -2.056 6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.519 -1.954 8.210 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.977 -0.998 6.811 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.472 -3.730 3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.769 -4.753 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.502 -3.135 4.729 1.00 0.00 H new ATOM 1604 N LYS A 107 -0.482 -5.281 7.534 1.00 0.00 N ATOM 1605 CA LYS A 107 0.272 -6.489 7.219 1.00 0.00 C ATOM 1606 C LYS A 107 -0.658 -7.601 6.744 1.00 0.00 C ATOM 1607 O LYS A 107 -1.327 -8.251 7.548 1.00 0.00 O ATOM 1608 CB LYS A 107 1.060 -6.957 8.444 1.00 0.00 C ATOM 1609 CG LYS A 107 2.346 -6.181 8.672 1.00 0.00 C ATOM 1610 CD LYS A 107 3.000 -6.560 9.990 1.00 0.00 C ATOM 1611 CE LYS A 107 4.462 -6.145 10.027 1.00 0.00 C ATOM 1612 NZ LYS A 107 4.635 -4.769 10.571 1.00 0.00 N ATOM 0 H LYS A 107 -1.176 -5.398 8.272 1.00 0.00 H new ATOM 0 HA LYS A 107 0.969 -6.254 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.429 -6.866 9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.299 -8.014 8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.038 -6.374 7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.133 -5.112 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.465 -6.085 10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.923 -7.637 10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.024 -6.851 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.879 -6.193 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.646 -4.524 10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.119 -4.092 9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.261 -4.729 11.541 1.00 0.00 H new ATOM 1626 N VAL A 108 -0.694 -7.817 5.433 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.539 -8.853 4.852 1.00 0.00 C ATOM 1628 C VAL A 108 -0.713 -10.062 4.426 1.00 0.00 C ATOM 1629 O VAL A 108 0.254 -9.933 3.677 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.319 -8.324 3.634 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -3.160 -9.430 3.016 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.189 -7.141 4.032 1.00 0.00 C ATOM 0 H VAL A 108 -0.148 -7.288 4.753 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.246 -9.154 5.625 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.603 -7.984 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.704 -9.037 2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.511 -10.244 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.869 -9.803 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.733 -6.780 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.898 -7.453 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.560 -6.342 4.424 1.00 0.00 H new ATOM 1642 N ALA A 109 -1.103 -11.238 4.909 1.00 0.00 N ATOM 1643 CA ALA A 109 -0.400 -12.470 4.576 1.00 0.00 C ATOM 1644 C ALA A 109 -1.129 -13.240 3.480 1.00 0.00 C ATOM 1645 O ALA A 109 -2.290 -13.619 3.639 1.00 0.00 O ATOM 1646 CB ALA A 109 -0.241 -13.338 5.816 1.00 0.00 C ATOM 0 H ALA A 109 -1.901 -11.362 5.532 1.00 0.00 H new ATOM 0 HA ALA A 109 0.589 -12.205 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.286 -14.255 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.330 -12.795 6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.225 -13.586 6.215 1.00 0.00 H new ATOM 1652 N THR A 110 -0.442 -13.466 2.365 1.00 0.00 N ATOM 1653 CA THR A 110 -1.025 -14.188 1.241 1.00 0.00 C ATOM 1654 C THR A 110 -1.585 -15.535 1.684 1.00 0.00 C ATOM 1655 O THR A 110 -1.381 -15.958 2.821 1.00 0.00 O ATOM 1656 CB THR A 110 0.010 -14.418 0.123 1.00 0.00 C ATOM 1657 OG1 THR A 110 1.311 -14.605 0.691 1.00 0.00 O ATOM 1658 CG2 THR A 110 0.036 -13.241 -0.840 1.00 0.00 C ATOM 0 H THR A 110 0.519 -13.159 2.216 1.00 0.00 H new ATOM 0 HA THR A 110 -1.835 -13.570 0.854 1.00 0.00 H new ATOM 0 HB THR A 110 -0.277 -15.313 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.985 -14.582 -0.020 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.774 -13.426 -1.621 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.948 -13.119 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.301 -12.333 -0.298 1.00 0.00 H new ATOM 1666 N GLN A 111 -2.292 -16.204 0.778 1.00 0.00 N ATOM 1667 CA GLN A 111 -2.881 -17.503 1.077 1.00 0.00 C ATOM 1668 C GLN A 111 -1.874 -18.625 0.842 1.00 0.00 C ATOM 1669 O GLN A 111 -0.962 -18.512 0.023 1.00 0.00 O ATOM 1670 CB GLN A 111 -4.126 -17.732 0.218 1.00 0.00 C ATOM 1671 CG GLN A 111 -5.144 -16.607 0.311 1.00 0.00 C ATOM 1672 CD GLN A 111 -6.517 -17.020 -0.184 1.00 0.00 C ATOM 1673 OE1 GLN A 111 -6.647 -17.653 -1.232 1.00 0.00 O ATOM 1674 NE2 GLN A 111 -7.550 -16.662 0.570 1.00 0.00 N ATOM 0 H GLN A 111 -2.470 -15.867 -0.168 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.167 -17.510 2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.823 -17.851 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.600 -18.666 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -5.220 -16.275 1.347 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.793 -15.755 -0.272 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.395 -16.138 1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.498 -16.911 0.288 1.00 0.00 H new ATOM 1683 N PRO A 112 -2.041 -19.734 1.578 1.00 0.00 N ATOM 1684 CA PRO A 112 -1.156 -20.897 1.468 1.00 0.00 C ATOM 1685 C PRO A 112 -1.328 -21.632 0.143 1.00 0.00 C ATOM 1686 O PRO A 112 -2.270 -22.405 -0.030 1.00 0.00 O ATOM 1687 CB PRO A 112 -1.594 -21.787 2.634 1.00 0.00 C ATOM 1688 CG PRO A 112 -3.010 -21.403 2.893 1.00 0.00 C ATOM 1689 CD PRO A 112 -3.106 -19.937 2.574 1.00 0.00 C ATOM 0 HA PRO A 112 -0.104 -20.614 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.511 -22.843 2.379 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.972 -21.622 3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.692 -21.983 2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -3.283 -21.595 3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -4.086 -19.676 2.174 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.950 -19.322 3.460 1.00 0.00 H new