USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 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 88 THR OG1 : rot 180:sc= 0.145 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -129:sc= -1.04 (180deg=-3.53!) USER MOD Set 2.1: A 50 THR OG1 : rot -103:sc= 1.04 USER MOD Set 2.2: A 69 THR OG1 : rot 11:sc= 0.686 USER MOD Set 3.1: A 47 ASN : amide:sc= -0.738 K(o=-0.86,f=-4.2!) USER MOD Set 3.2: A 49 GLN :FLIP amide:sc= -0.119 F(o=-4!,f=-0.86) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -133:sc= 0.544 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 142:sc= 1.2 (180deg=-0.182) USER MOD Single : A 52 THR OG1 : rot 139:sc= 1.72 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.46) USER MOD Single : A 67 ASN : amide:sc= -0.462 K(o=-0.46,f=-1.4) USER MOD Single : A 68 THR OG1 : rot -21:sc= 0.866 USER MOD Single : A 70 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.36) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0755 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 77 THR OG1 : rot 170:sc= 0.485 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -125:sc= -0.189 (180deg=-1.99!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.71! C(o=-2.7!,f=-8!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 110 THR OG1 : rot -171:sc= 1.07 USER MOD Single : A 111 GLN : amide:sc= -4.12! C(o=-4.1!,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 16 -3.104 22.070 4.072 1.00 0.00 N ATOM 179 CA VAL A 16 -4.022 22.112 2.941 1.00 0.00 C ATOM 180 C VAL A 16 -3.947 20.826 2.124 1.00 0.00 C ATOM 181 O VAL A 16 -4.248 20.818 0.930 1.00 0.00 O ATOM 182 CB VAL A 16 -3.725 23.310 2.020 1.00 0.00 C ATOM 183 CG1 VAL A 16 -4.029 24.619 2.733 1.00 0.00 C ATOM 184 CG2 VAL A 16 -2.280 23.273 1.548 1.00 0.00 C ATOM 0 HA VAL A 16 -5.026 22.220 3.352 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.371 23.243 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.813 25.455 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.081 24.643 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.411 24.698 3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.088 24.127 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.614 23.316 2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.101 22.350 0.997 1.00 0.00 H new ATOM 194 N LEU A 17 -3.543 19.741 2.776 1.00 0.00 N ATOM 195 CA LEU A 17 -3.427 18.448 2.111 1.00 0.00 C ATOM 196 C LEU A 17 -4.645 17.577 2.400 1.00 0.00 C ATOM 197 O LEU A 17 -5.332 17.742 3.408 1.00 0.00 O ATOM 198 CB LEU A 17 -2.154 17.731 2.563 1.00 0.00 C ATOM 199 CG LEU A 17 -0.838 18.300 2.031 1.00 0.00 C ATOM 200 CD1 LEU A 17 -0.803 18.231 0.512 1.00 0.00 C ATOM 201 CD2 LEU A 17 -0.645 19.733 2.507 1.00 0.00 C ATOM 0 H LEU A 17 -3.290 19.731 3.764 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.375 18.623 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.119 17.747 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.223 16.686 2.261 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.019 17.696 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.141 18.640 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.894 17.193 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.630 18.811 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.296 20.122 2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.468 20.350 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.625 19.755 3.597 1.00 0.00 H new ATOM 213 N PRO A 18 -4.920 16.624 1.496 1.00 0.00 N ATOM 214 CA PRO A 18 -6.054 15.706 1.633 1.00 0.00 C ATOM 215 C PRO A 18 -5.857 14.708 2.770 1.00 0.00 C ATOM 216 O PRO A 18 -4.930 13.899 2.745 1.00 0.00 O ATOM 217 CB PRO A 18 -6.089 14.981 0.286 1.00 0.00 C ATOM 218 CG PRO A 18 -4.691 15.060 -0.223 1.00 0.00 C ATOM 219 CD PRO A 18 -4.144 16.370 0.270 1.00 0.00 C ATOM 0 HA PRO A 18 -6.978 16.232 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.410 13.946 0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.788 15.457 -0.402 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.094 14.225 0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.669 15.013 -1.312 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.076 16.307 0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.281 17.164 -0.464 1.00 0.00 H new ATOM 227 N SER A 19 -6.736 14.771 3.765 1.00 0.00 N ATOM 228 CA SER A 19 -6.657 13.875 4.913 1.00 0.00 C ATOM 229 C SER A 19 -6.401 12.439 4.464 1.00 0.00 C ATOM 230 O SER A 19 -6.685 12.074 3.324 1.00 0.00 O ATOM 231 CB SER A 19 -7.949 13.943 5.730 1.00 0.00 C ATOM 232 OG SER A 19 -7.939 15.056 6.607 1.00 0.00 O ATOM 0 H SER A 19 -7.511 15.433 3.799 1.00 0.00 H new ATOM 0 HA SER A 19 -5.823 14.197 5.537 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.805 14.013 5.058 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.069 13.024 6.304 1.00 0.00 H new ATOM 0 HG SER A 19 -8.776 15.078 7.117 1.00 0.00 H new ATOM 238 N ALA A 20 -5.863 11.630 5.370 1.00 0.00 N ATOM 239 CA ALA A 20 -5.570 10.234 5.070 1.00 0.00 C ATOM 240 C ALA A 20 -6.838 9.388 5.100 1.00 0.00 C ATOM 241 O ALA A 20 -7.818 9.719 5.768 1.00 0.00 O ATOM 242 CB ALA A 20 -4.545 9.687 6.053 1.00 0.00 C ATOM 0 H ALA A 20 -5.621 11.917 6.318 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.155 10.184 4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.336 8.644 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.625 10.267 5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.939 9.758 7.067 1.00 0.00 H new ATOM 248 N PRO A 21 -6.822 8.270 4.360 1.00 0.00 N ATOM 249 CA PRO A 21 -7.964 7.354 4.285 1.00 0.00 C ATOM 250 C PRO A 21 -8.191 6.602 5.593 1.00 0.00 C ATOM 251 O PRO A 21 -7.307 6.545 6.448 1.00 0.00 O ATOM 252 CB PRO A 21 -7.566 6.381 3.172 1.00 0.00 C ATOM 253 CG PRO A 21 -6.077 6.412 3.156 1.00 0.00 C ATOM 254 CD PRO A 21 -5.688 7.813 3.539 1.00 0.00 C ATOM 0 HA PRO A 21 -8.898 7.882 4.095 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.939 5.377 3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.979 6.688 2.211 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.664 5.687 3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.692 6.156 2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.753 7.831 4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -5.547 8.445 2.662 1.00 0.00 H new ATOM 262 N ARG A 22 -9.379 6.027 5.741 1.00 0.00 N ATOM 263 CA ARG A 22 -9.722 5.279 6.944 1.00 0.00 C ATOM 264 C ARG A 22 -9.025 3.922 6.959 1.00 0.00 C ATOM 265 O ARG A 22 -8.615 3.413 5.915 1.00 0.00 O ATOM 266 CB ARG A 22 -11.237 5.088 7.038 1.00 0.00 C ATOM 267 CG ARG A 22 -11.748 3.888 6.256 1.00 0.00 C ATOM 268 CD ARG A 22 -11.801 2.640 7.123 1.00 0.00 C ATOM 269 NE ARG A 22 -12.646 2.826 8.299 1.00 0.00 N ATOM 270 CZ ARG A 22 -13.096 1.824 9.047 1.00 0.00 C ATOM 271 NH1 ARG A 22 -12.783 0.572 8.742 1.00 0.00 N ATOM 272 NH2 ARG A 22 -13.860 2.073 10.102 1.00 0.00 N ATOM 0 H ARG A 22 -10.121 6.065 5.042 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.381 5.852 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.516 4.974 8.085 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.732 5.988 6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.743 4.104 5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.100 3.709 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.179 1.805 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.792 2.376 7.440 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.905 3.777 8.561 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.195 0.376 7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.130 -0.195 9.318 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.103 3.035 10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.205 1.303 10.675 1.00 0.00 H new ATOM 286 N ASP A 23 -8.894 3.343 8.147 1.00 0.00 N ATOM 287 CA ASP A 23 -8.247 2.044 8.297 1.00 0.00 C ATOM 288 C ASP A 23 -8.471 1.179 7.061 1.00 0.00 C ATOM 289 O ASP A 23 -9.564 0.652 6.849 1.00 0.00 O ATOM 290 CB ASP A 23 -8.776 1.328 9.540 1.00 0.00 C ATOM 291 CG ASP A 23 -8.190 1.883 10.823 1.00 0.00 C ATOM 292 OD1 ASP A 23 -8.691 2.921 11.304 1.00 0.00 O ATOM 293 OD2 ASP A 23 -7.230 1.280 11.346 1.00 0.00 O ATOM 0 H ASP A 23 -9.227 3.752 9.020 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.176 2.210 8.412 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.862 1.417 9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.545 0.265 9.469 1.00 0.00 H new ATOM 298 N VAL A 24 -7.430 1.037 6.247 1.00 0.00 N ATOM 299 CA VAL A 24 -7.514 0.236 5.032 1.00 0.00 C ATOM 300 C VAL A 24 -7.551 -1.253 5.357 1.00 0.00 C ATOM 301 O VAL A 24 -6.703 -1.761 6.091 1.00 0.00 O ATOM 302 CB VAL A 24 -6.325 0.515 4.092 1.00 0.00 C ATOM 303 CG1 VAL A 24 -6.489 -0.244 2.784 1.00 0.00 C ATOM 304 CG2 VAL A 24 -6.188 2.009 3.838 1.00 0.00 C ATOM 0 H VAL A 24 -6.519 1.466 6.407 1.00 0.00 H new ATOM 0 HA VAL A 24 -8.439 0.519 4.530 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.412 0.166 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -5.640 -0.035 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.535 -1.314 2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.409 0.072 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.344 2.189 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.101 2.385 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.021 2.525 4.783 1.00 0.00 H new ATOM 314 N VAL A 25 -8.539 -1.950 4.804 1.00 0.00 N ATOM 315 CA VAL A 25 -8.687 -3.382 5.034 1.00 0.00 C ATOM 316 C VAL A 25 -8.650 -4.156 3.721 1.00 0.00 C ATOM 317 O VAL A 25 -9.197 -3.728 2.704 1.00 0.00 O ATOM 318 CB VAL A 25 -10.003 -3.700 5.768 1.00 0.00 C ATOM 319 CG1 VAL A 25 -9.939 -3.223 7.211 1.00 0.00 C ATOM 320 CG2 VAL A 25 -11.183 -3.071 5.042 1.00 0.00 C ATOM 0 H VAL A 25 -9.249 -1.546 4.193 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.848 -3.691 5.658 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.143 -4.781 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.878 -3.456 7.713 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.118 -3.725 7.724 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.775 -2.146 7.231 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.105 -3.306 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.052 -1.990 5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.239 -3.466 4.028 1.00 0.00 H new ATOM 330 N PRO A 26 -7.991 -5.323 3.740 1.00 0.00 N ATOM 331 CA PRO A 26 -7.868 -6.183 2.559 1.00 0.00 C ATOM 332 C PRO A 26 -9.195 -6.826 2.169 1.00 0.00 C ATOM 333 O PRO A 26 -9.446 -7.991 2.479 1.00 0.00 O ATOM 334 CB PRO A 26 -6.865 -7.251 3.001 1.00 0.00 C ATOM 335 CG PRO A 26 -6.990 -7.298 4.484 1.00 0.00 C ATOM 336 CD PRO A 26 -7.315 -5.895 4.917 1.00 0.00 C ATOM 0 HA PRO A 26 -7.554 -5.623 1.678 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -7.094 -8.218 2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.851 -6.991 2.697 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.774 -7.992 4.788 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.064 -7.643 4.943 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.960 -5.885 5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.416 -5.336 5.175 1.00 0.00 H new ATOM 344 N VAL A 27 -10.041 -6.060 1.489 1.00 0.00 N ATOM 345 CA VAL A 27 -11.342 -6.556 1.055 1.00 0.00 C ATOM 346 C VAL A 27 -11.236 -7.978 0.515 1.00 0.00 C ATOM 347 O VAL A 27 -12.208 -8.734 0.529 1.00 0.00 O ATOM 348 CB VAL A 27 -11.955 -5.651 -0.029 1.00 0.00 C ATOM 349 CG1 VAL A 27 -12.562 -4.404 0.596 1.00 0.00 C ATOM 350 CG2 VAL A 27 -10.907 -5.281 -1.068 1.00 0.00 C ATOM 0 H VAL A 27 -9.849 -5.093 1.226 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.991 -6.551 1.931 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.752 -6.201 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.990 -3.777 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -13.344 -4.693 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.787 -3.848 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.357 -4.641 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.087 -4.749 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.525 -6.187 -1.538 1.00 0.00 H new ATOM 360 N LEU A 28 -10.049 -8.337 0.039 1.00 0.00 N ATOM 361 CA LEU A 28 -9.814 -9.669 -0.506 1.00 0.00 C ATOM 362 C LEU A 28 -8.328 -10.014 -0.481 1.00 0.00 C ATOM 363 O LEU A 28 -7.474 -9.128 -0.509 1.00 0.00 O ATOM 364 CB LEU A 28 -10.345 -9.757 -1.938 1.00 0.00 C ATOM 365 CG LEU A 28 -10.439 -11.161 -2.535 1.00 0.00 C ATOM 366 CD1 LEU A 28 -11.802 -11.772 -2.250 1.00 0.00 C ATOM 367 CD2 LEU A 28 -10.171 -11.124 -4.032 1.00 0.00 C ATOM 0 H LEU A 28 -9.234 -7.724 0.019 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.346 -10.388 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.337 -9.306 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.703 -9.154 -2.580 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.679 -11.786 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.850 -12.771 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.954 -11.835 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.580 -11.148 -2.690 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.242 -12.132 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.907 -10.484 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.171 -10.729 -4.213 1.00 0.00 H new ATOM 379 N VAL A 29 -8.027 -11.308 -0.431 1.00 0.00 N ATOM 380 CA VAL A 29 -6.644 -11.770 -0.405 1.00 0.00 C ATOM 381 C VAL A 29 -6.497 -13.101 -1.134 1.00 0.00 C ATOM 382 O VAL A 29 -7.257 -14.039 -0.894 1.00 0.00 O ATOM 383 CB VAL A 29 -6.132 -11.928 1.039 1.00 0.00 C ATOM 384 CG1 VAL A 29 -4.694 -12.424 1.043 1.00 0.00 C ATOM 385 CG2 VAL A 29 -6.254 -10.613 1.794 1.00 0.00 C ATOM 0 H VAL A 29 -8.722 -12.054 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.047 -11.013 -0.913 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.749 -12.670 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.349 -12.530 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.641 -13.390 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.061 -11.708 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.888 -10.743 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.663 -9.848 1.291 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.299 -10.304 1.821 1.00 0.00 H new ATOM 395 N SER A 30 -5.513 -13.176 -2.024 1.00 0.00 N ATOM 396 CA SER A 30 -5.267 -14.392 -2.791 1.00 0.00 C ATOM 397 C SER A 30 -3.843 -14.894 -2.571 1.00 0.00 C ATOM 398 O SER A 30 -3.095 -14.340 -1.765 1.00 0.00 O ATOM 399 CB SER A 30 -5.506 -14.138 -4.281 1.00 0.00 C ATOM 400 OG SER A 30 -4.567 -13.211 -4.797 1.00 0.00 O ATOM 0 H SER A 30 -4.873 -12.409 -2.232 1.00 0.00 H new ATOM 0 HA SER A 30 -5.961 -15.157 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.434 -15.077 -4.829 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.517 -13.758 -4.431 1.00 0.00 H new ATOM 0 HG SER A 30 -5.034 -12.536 -5.332 1.00 0.00 H new ATOM 406 N SER A 31 -3.476 -15.947 -3.294 1.00 0.00 N ATOM 407 CA SER A 31 -2.143 -16.528 -3.176 1.00 0.00 C ATOM 408 C SER A 31 -1.186 -15.901 -4.186 1.00 0.00 C ATOM 409 O SER A 31 -0.025 -16.296 -4.285 1.00 0.00 O ATOM 410 CB SER A 31 -2.203 -18.042 -3.385 1.00 0.00 C ATOM 411 OG SER A 31 -2.393 -18.361 -4.753 1.00 0.00 O ATOM 0 H SER A 31 -4.082 -16.415 -3.967 1.00 0.00 H new ATOM 0 HA SER A 31 -1.771 -16.322 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.280 -18.499 -3.027 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.017 -18.462 -2.794 1.00 0.00 H new ATOM 0 HG SER A 31 -2.426 -19.335 -4.860 1.00 0.00 H new ATOM 417 N ARG A 32 -1.684 -14.923 -4.935 1.00 0.00 N ATOM 418 CA ARG A 32 -0.875 -14.242 -5.939 1.00 0.00 C ATOM 419 C ARG A 32 -1.044 -12.728 -5.838 1.00 0.00 C ATOM 420 O ARG A 32 -0.064 -11.986 -5.778 1.00 0.00 O ATOM 421 CB ARG A 32 -1.259 -14.716 -7.342 1.00 0.00 C ATOM 422 CG ARG A 32 -0.124 -14.621 -8.348 1.00 0.00 C ATOM 423 CD ARG A 32 -0.535 -15.173 -9.704 1.00 0.00 C ATOM 424 NE ARG A 32 -0.663 -16.628 -9.687 1.00 0.00 N ATOM 425 CZ ARG A 32 -0.744 -17.372 -10.785 1.00 0.00 C ATOM 426 NH1 ARG A 32 -0.711 -16.800 -11.981 1.00 0.00 N ATOM 427 NH2 ARG A 32 -0.859 -18.690 -10.688 1.00 0.00 N ATOM 0 H ARG A 32 -2.644 -14.584 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 32 0.171 -14.487 -5.754 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.599 -15.750 -7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.101 -14.123 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.183 -13.581 -8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.740 -15.172 -7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.484 -14.729 -10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.203 -14.883 -10.452 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.692 -17.099 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.623 -15.787 -12.060 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.773 -17.373 -12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.885 -19.133 -9.770 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.921 -19.260 -11.532 1.00 0.00 H new ATOM 441 N PHE A 33 -2.294 -12.278 -5.821 1.00 0.00 N ATOM 442 CA PHE A 33 -2.592 -10.853 -5.729 1.00 0.00 C ATOM 443 C PHE A 33 -3.249 -10.520 -4.393 1.00 0.00 C ATOM 444 O PHE A 33 -3.476 -11.400 -3.563 1.00 0.00 O ATOM 445 CB PHE A 33 -3.507 -10.427 -6.880 1.00 0.00 C ATOM 446 CG PHE A 33 -4.926 -10.891 -6.721 1.00 0.00 C ATOM 447 CD1 PHE A 33 -5.315 -12.141 -7.173 1.00 0.00 C ATOM 448 CD2 PHE A 33 -5.872 -10.076 -6.119 1.00 0.00 C ATOM 449 CE1 PHE A 33 -6.621 -12.571 -7.028 1.00 0.00 C ATOM 450 CE2 PHE A 33 -7.179 -10.501 -5.971 1.00 0.00 C ATOM 451 CZ PHE A 33 -7.554 -11.750 -6.427 1.00 0.00 C ATOM 0 H PHE A 33 -3.117 -12.879 -5.870 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.652 -10.305 -5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.495 -9.340 -6.959 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.108 -10.819 -7.815 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.590 -12.788 -7.644 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.585 -9.098 -5.762 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.911 -13.548 -7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.906 -9.857 -5.499 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.575 -12.083 -6.314 1.00 0.00 H new ATOM 461 N VAL A 34 -3.550 -9.241 -4.191 1.00 0.00 N ATOM 462 CA VAL A 34 -4.181 -8.790 -2.956 1.00 0.00 C ATOM 463 C VAL A 34 -4.919 -7.472 -3.166 1.00 0.00 C ATOM 464 O VAL A 34 -4.300 -6.420 -3.321 1.00 0.00 O ATOM 465 CB VAL A 34 -3.145 -8.612 -1.830 1.00 0.00 C ATOM 466 CG1 VAL A 34 -3.790 -7.976 -0.608 1.00 0.00 C ATOM 467 CG2 VAL A 34 -2.511 -9.948 -1.474 1.00 0.00 C ATOM 0 H VAL A 34 -3.367 -8.499 -4.867 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.895 -9.560 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.358 -7.946 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.044 -7.858 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.193 -6.999 -0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.597 -8.615 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.782 -9.804 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.284 -10.639 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.013 -10.360 -2.352 1.00 0.00 H new ATOM 477 N ARG A 35 -6.246 -7.538 -3.168 1.00 0.00 N ATOM 478 CA ARG A 35 -7.070 -6.350 -3.359 1.00 0.00 C ATOM 479 C ARG A 35 -7.211 -5.571 -2.055 1.00 0.00 C ATOM 480 O ARG A 35 -7.387 -6.156 -0.985 1.00 0.00 O ATOM 481 CB ARG A 35 -8.453 -6.742 -3.884 1.00 0.00 C ATOM 482 CG ARG A 35 -9.255 -5.567 -4.420 1.00 0.00 C ATOM 483 CD ARG A 35 -10.525 -6.032 -5.116 1.00 0.00 C ATOM 484 NE ARG A 35 -10.283 -6.398 -6.509 1.00 0.00 N ATOM 485 CZ ARG A 35 -11.075 -7.206 -7.204 1.00 0.00 C ATOM 486 NH1 ARG A 35 -12.154 -7.730 -6.639 1.00 0.00 N ATOM 487 NH2 ARG A 35 -10.788 -7.492 -8.468 1.00 0.00 N ATOM 0 H ARG A 35 -6.774 -8.401 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.578 -5.711 -4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.336 -7.482 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.015 -7.219 -3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.512 -4.896 -3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.644 -4.996 -5.119 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.938 -6.888 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.272 -5.240 -5.074 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.461 -6.012 -6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.378 -7.513 -5.668 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.760 -8.350 -7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.959 -7.091 -8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.397 -8.113 -9.001 1.00 0.00 H new ATOM 501 N LEU A 36 -7.131 -4.248 -2.150 1.00 0.00 N ATOM 502 CA LEU A 36 -7.250 -3.388 -0.978 1.00 0.00 C ATOM 503 C LEU A 36 -8.221 -2.242 -1.240 1.00 0.00 C ATOM 504 O LEU A 36 -8.197 -1.625 -2.306 1.00 0.00 O ATOM 505 CB LEU A 36 -5.879 -2.831 -0.590 1.00 0.00 C ATOM 506 CG LEU A 36 -4.731 -3.841 -0.549 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.395 -3.139 -0.733 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.752 -4.619 0.760 1.00 0.00 C ATOM 0 H LEU A 36 -6.984 -3.748 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.639 -3.988 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.617 -2.042 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.963 -2.366 0.392 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.863 -4.546 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.590 -3.874 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.382 -2.628 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.253 -2.411 0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.929 -5.333 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.645 -3.928 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.697 -5.154 0.850 1.00 0.00 H new ATOM 520 N SER A 37 -9.074 -1.960 -0.260 1.00 0.00 N ATOM 521 CA SER A 37 -10.055 -0.888 -0.385 1.00 0.00 C ATOM 522 C SER A 37 -9.943 0.089 0.781 1.00 0.00 C ATOM 523 O SER A 37 -9.967 -0.311 1.945 1.00 0.00 O ATOM 524 CB SER A 37 -11.469 -1.467 -0.446 1.00 0.00 C ATOM 525 OG SER A 37 -12.428 -0.449 -0.677 1.00 0.00 O ATOM 0 H SER A 37 -9.106 -2.459 0.629 1.00 0.00 H new ATOM 0 HA SER A 37 -9.851 -0.348 -1.310 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.526 -2.212 -1.240 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.696 -1.979 0.489 1.00 0.00 H new ATOM 0 HG SER A 37 -13.324 -0.845 -0.713 1.00 0.00 H new ATOM 531 N TRP A 38 -9.821 1.372 0.460 1.00 0.00 N ATOM 532 CA TRP A 38 -9.705 2.408 1.480 1.00 0.00 C ATOM 533 C TRP A 38 -10.800 3.457 1.317 1.00 0.00 C ATOM 534 O TRP A 38 -11.633 3.363 0.416 1.00 0.00 O ATOM 535 CB TRP A 38 -8.330 3.072 1.409 1.00 0.00 C ATOM 536 CG TRP A 38 -7.933 3.467 0.018 1.00 0.00 C ATOM 537 CD1 TRP A 38 -8.063 4.701 -0.552 1.00 0.00 C ATOM 538 CD2 TRP A 38 -7.342 2.623 -0.976 1.00 0.00 C ATOM 539 NE1 TRP A 38 -7.590 4.675 -1.842 1.00 0.00 N ATOM 540 CE2 TRP A 38 -7.141 3.412 -2.126 1.00 0.00 C ATOM 541 CE3 TRP A 38 -6.961 1.279 -1.007 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -6.577 2.900 -3.291 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -6.403 0.771 -2.165 1.00 0.00 C ATOM 544 CH2 TRP A 38 -6.214 1.580 -3.294 1.00 0.00 C ATOM 0 H TRP A 38 -9.800 1.720 -0.499 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.822 1.937 2.456 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -8.328 3.957 2.045 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.583 2.388 1.812 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.477 5.570 -0.061 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -7.576 5.467 -2.484 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -7.100 0.648 -0.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.431 3.522 -4.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.108 -0.267 -2.201 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.774 1.154 -4.183 1.00 0.00 H new ATOM 555 N ARG A 39 -10.791 4.456 2.194 1.00 0.00 N ATOM 556 CA ARG A 39 -11.784 5.522 2.147 1.00 0.00 C ATOM 557 C ARG A 39 -11.204 6.777 1.501 1.00 0.00 C ATOM 558 O ARG A 39 -10.071 7.178 1.773 1.00 0.00 O ATOM 559 CB ARG A 39 -12.284 5.845 3.556 1.00 0.00 C ATOM 560 CG ARG A 39 -13.721 6.338 3.594 1.00 0.00 C ATOM 561 CD ARG A 39 -13.804 7.835 3.339 1.00 0.00 C ATOM 562 NE ARG A 39 -13.350 8.612 4.490 1.00 0.00 N ATOM 563 CZ ARG A 39 -13.534 9.922 4.611 1.00 0.00 C ATOM 564 NH1 ARG A 39 -14.160 10.598 3.657 1.00 0.00 N ATOM 565 NH2 ARG A 39 -13.092 10.559 5.688 1.00 0.00 N ATOM 0 H ARG A 39 -10.107 4.549 2.945 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.622 5.177 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -12.198 4.953 4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.637 6.603 3.997 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -14.309 5.807 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.160 6.108 4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.199 8.089 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -14.833 8.106 3.102 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.865 8.122 5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.502 10.112 2.828 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.300 11.604 3.753 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.610 10.043 6.424 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.234 11.565 5.780 1.00 0.00 H new ATOM 579 N PRO A 40 -11.996 7.413 0.625 1.00 0.00 N ATOM 580 CA PRO A 40 -11.582 8.632 -0.077 1.00 0.00 C ATOM 581 C PRO A 40 -11.484 9.834 0.856 1.00 0.00 C ATOM 582 O PRO A 40 -12.180 9.924 1.868 1.00 0.00 O ATOM 583 CB PRO A 40 -12.695 8.843 -1.106 1.00 0.00 C ATOM 584 CG PRO A 40 -13.886 8.168 -0.520 1.00 0.00 C ATOM 585 CD PRO A 40 -13.357 6.992 0.254 1.00 0.00 C ATOM 0 HA PRO A 40 -10.589 8.532 -0.516 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.883 9.903 -1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.429 8.410 -2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.438 8.846 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.574 7.844 -1.301 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -13.967 6.782 1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.346 6.085 -0.350 1.00 0.00 H new ATOM 593 N PRO A 41 -10.599 10.781 0.512 1.00 0.00 N ATOM 594 CA PRO A 41 -10.389 11.995 1.306 1.00 0.00 C ATOM 595 C PRO A 41 -11.580 12.945 1.237 1.00 0.00 C ATOM 596 O PRO A 41 -11.994 13.360 0.155 1.00 0.00 O ATOM 597 CB PRO A 41 -9.158 12.634 0.658 1.00 0.00 C ATOM 598 CG PRO A 41 -9.161 12.128 -0.743 1.00 0.00 C ATOM 599 CD PRO A 41 -9.735 10.739 -0.680 1.00 0.00 C ATOM 0 HA PRO A 41 -10.263 11.773 2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.216 13.722 0.686 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.244 12.350 1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.761 12.769 -1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.152 12.115 -1.156 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.302 10.497 -1.579 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.954 9.985 -0.584 1.00 0.00 H new ATOM 607 N ALA A 42 -12.127 13.286 2.400 1.00 0.00 N ATOM 608 CA ALA A 42 -13.269 14.189 2.471 1.00 0.00 C ATOM 609 C ALA A 42 -12.908 15.573 1.944 1.00 0.00 C ATOM 610 O ALA A 42 -13.650 16.160 1.157 1.00 0.00 O ATOM 611 CB ALA A 42 -13.778 14.283 3.902 1.00 0.00 C ATOM 0 H ALA A 42 -11.797 12.950 3.305 1.00 0.00 H new ATOM 0 HA ALA A 42 -14.061 13.785 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.631 14.961 3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.084 13.295 4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -12.984 14.661 4.546 1.00 0.00 H new ATOM 617 N GLU A 43 -11.765 16.090 2.384 1.00 0.00 N ATOM 618 CA GLU A 43 -11.307 17.406 1.956 1.00 0.00 C ATOM 619 C GLU A 43 -10.074 17.291 1.064 1.00 0.00 C ATOM 620 O GLU A 43 -8.942 17.318 1.546 1.00 0.00 O ATOM 621 CB GLU A 43 -10.992 18.281 3.171 1.00 0.00 C ATOM 622 CG GLU A 43 -12.215 18.636 3.999 1.00 0.00 C ATOM 623 CD GLU A 43 -11.996 19.861 4.867 1.00 0.00 C ATOM 624 OE1 GLU A 43 -11.027 19.863 5.655 1.00 0.00 O ATOM 625 OE2 GLU A 43 -12.794 20.815 4.759 1.00 0.00 O ATOM 0 H GLU A 43 -11.140 15.617 3.037 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.107 17.871 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.273 17.762 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.514 19.200 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.061 18.813 3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.479 17.789 4.632 1.00 0.00 H new ATOM 632 N ALA A 44 -10.303 17.162 -0.238 1.00 0.00 N ATOM 633 CA ALA A 44 -9.212 17.044 -1.198 1.00 0.00 C ATOM 634 C ALA A 44 -8.398 18.332 -1.265 1.00 0.00 C ATOM 635 O ALA A 44 -7.167 18.301 -1.280 1.00 0.00 O ATOM 636 CB ALA A 44 -9.755 16.689 -2.574 1.00 0.00 C ATOM 0 H ALA A 44 -11.234 17.136 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.552 16.244 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.929 16.604 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -10.286 15.739 -2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.439 17.469 -2.908 1.00 0.00 H new ATOM 642 N LYS A 45 -9.093 19.464 -1.305 1.00 0.00 N ATOM 643 CA LYS A 45 -8.436 20.764 -1.370 1.00 0.00 C ATOM 644 C LYS A 45 -7.622 20.899 -2.653 1.00 0.00 C ATOM 645 O LYS A 45 -6.498 21.399 -2.638 1.00 0.00 O ATOM 646 CB LYS A 45 -7.527 20.960 -0.154 1.00 0.00 C ATOM 647 CG LYS A 45 -8.222 21.619 1.024 1.00 0.00 C ATOM 648 CD LYS A 45 -7.397 21.501 2.295 1.00 0.00 C ATOM 649 CE LYS A 45 -7.742 20.237 3.068 1.00 0.00 C ATOM 650 NZ LYS A 45 -6.789 19.993 4.186 1.00 0.00 N ATOM 0 H LYS A 45 -10.112 19.507 -1.294 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.208 21.534 -1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.139 19.991 0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.670 21.567 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.400 22.671 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.197 21.157 1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.337 21.496 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.571 22.373 2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.754 20.319 3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.733 19.383 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.306 19.617 5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.070 19.305 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.325 20.886 4.448 1.00 0.00 H new ATOM 664 N GLY A 46 -8.199 20.450 -3.764 1.00 0.00 N ATOM 665 CA GLY A 46 -7.513 20.531 -5.041 1.00 0.00 C ATOM 666 C GLY A 46 -7.977 19.468 -6.017 1.00 0.00 C ATOM 667 O GLY A 46 -9.176 19.258 -6.192 1.00 0.00 O ATOM 0 H GLY A 46 -9.129 20.032 -3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.678 21.517 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.440 20.429 -4.880 1.00 0.00 H new ATOM 671 N ASN A 47 -7.024 18.797 -6.655 1.00 0.00 N ATOM 672 CA ASN A 47 -7.341 17.751 -7.620 1.00 0.00 C ATOM 673 C ASN A 47 -6.495 16.506 -7.372 1.00 0.00 C ATOM 674 O ASN A 47 -5.267 16.580 -7.317 1.00 0.00 O ATOM 675 CB ASN A 47 -7.116 18.259 -9.046 1.00 0.00 C ATOM 676 CG ASN A 47 -7.305 17.170 -10.084 1.00 0.00 C ATOM 677 OD1 ASN A 47 -7.842 16.102 -9.789 1.00 0.00 O ATOM 678 ND2 ASN A 47 -6.864 17.436 -11.308 1.00 0.00 N ATOM 0 H ASN A 47 -6.026 18.959 -6.521 1.00 0.00 H new ATOM 0 HA ASN A 47 -8.391 17.485 -7.497 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -7.807 19.076 -9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.108 18.666 -9.129 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.964 16.742 -12.048 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.425 18.335 -11.508 1.00 0.00 H new ATOM 685 N ILE A 48 -7.159 15.365 -7.224 1.00 0.00 N ATOM 686 CA ILE A 48 -6.468 14.105 -6.983 1.00 0.00 C ATOM 687 C ILE A 48 -6.188 13.373 -8.291 1.00 0.00 C ATOM 688 O ILE A 48 -7.097 13.136 -9.087 1.00 0.00 O ATOM 689 CB ILE A 48 -7.283 13.183 -6.057 1.00 0.00 C ATOM 690 CG1 ILE A 48 -7.369 13.784 -4.652 1.00 0.00 C ATOM 691 CG2 ILE A 48 -6.660 11.796 -6.008 1.00 0.00 C ATOM 692 CD1 ILE A 48 -8.273 13.009 -3.718 1.00 0.00 C ATOM 0 H ILE A 48 -8.175 15.287 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.524 14.351 -6.497 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.293 13.092 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.368 13.828 -4.222 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.730 14.810 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -7.248 11.156 -5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.645 11.368 -7.010 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.641 11.868 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.286 13.492 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.284 12.987 -4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.901 11.990 -3.614 1.00 0.00 H new ATOM 704 N GLN A 49 -4.926 13.016 -8.505 1.00 0.00 N ATOM 705 CA GLN A 49 -4.527 12.310 -9.717 1.00 0.00 C ATOM 706 C GLN A 49 -4.756 10.809 -9.573 1.00 0.00 C ATOM 707 O GLN A 49 -5.407 10.186 -10.412 1.00 0.00 O ATOM 708 CB GLN A 49 -3.056 12.585 -10.032 1.00 0.00 C ATOM 709 CG GLN A 49 -2.732 14.063 -10.184 1.00 0.00 C ATOM 710 CD GLN A 49 -3.683 14.775 -11.127 1.00 0.00 C ATOM 711 OE1 GLN A 49 -4.517 15.650 -10.578 1.00 0.00 O flip ATOM 712 NE2 GLN A 49 -3.668 14.540 -12.336 1.00 0.00 N flip ATOM 0 H GLN A 49 -4.162 13.204 -7.855 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.142 12.676 -10.539 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.438 12.166 -9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.787 12.066 -10.952 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.770 14.542 -9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.712 14.171 -10.552 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.010 13.859 -12.715 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.314 15.026 -12.958 1.00 0.00 H new ATOM 721 N THR A 50 -4.216 10.233 -8.503 1.00 0.00 N ATOM 722 CA THR A 50 -4.360 8.805 -8.249 1.00 0.00 C ATOM 723 C THR A 50 -3.906 8.449 -6.838 1.00 0.00 C ATOM 724 O THR A 50 -3.446 9.310 -6.088 1.00 0.00 O ATOM 725 CB THR A 50 -3.554 7.971 -9.262 1.00 0.00 C ATOM 726 OG1 THR A 50 -3.995 6.609 -9.235 1.00 0.00 O ATOM 727 CG2 THR A 50 -2.066 8.033 -8.952 1.00 0.00 C ATOM 0 H THR A 50 -3.675 10.734 -7.798 1.00 0.00 H new ATOM 0 HA THR A 50 -5.419 8.570 -8.357 1.00 0.00 H new ATOM 0 HB THR A 50 -3.720 8.387 -10.256 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.347 6.065 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.517 7.436 -9.681 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.727 9.068 -9.001 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.886 7.639 -7.952 1.00 0.00 H new ATOM 735 N PHE A 51 -4.038 7.175 -6.483 1.00 0.00 N ATOM 736 CA PHE A 51 -3.641 6.705 -5.161 1.00 0.00 C ATOM 737 C PHE A 51 -2.404 5.816 -5.249 1.00 0.00 C ATOM 738 O PHE A 51 -2.439 4.740 -5.847 1.00 0.00 O ATOM 739 CB PHE A 51 -4.789 5.937 -4.504 1.00 0.00 C ATOM 740 CG PHE A 51 -5.864 6.827 -3.947 1.00 0.00 C ATOM 741 CD1 PHE A 51 -6.934 7.218 -4.736 1.00 0.00 C ATOM 742 CD2 PHE A 51 -5.805 7.271 -2.636 1.00 0.00 C ATOM 743 CE1 PHE A 51 -7.924 8.037 -4.227 1.00 0.00 C ATOM 744 CE2 PHE A 51 -6.792 8.090 -2.122 1.00 0.00 C ATOM 745 CZ PHE A 51 -7.854 8.473 -2.918 1.00 0.00 C ATOM 0 H PHE A 51 -4.417 6.450 -7.092 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.399 7.575 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.231 5.262 -5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.389 5.318 -3.701 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.995 6.879 -5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.978 6.973 -2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.752 8.336 -4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.733 8.430 -1.099 1.00 0.00 H new ATOM 0 HZ PHE A 51 -8.628 9.112 -2.518 1.00 0.00 H new ATOM 755 N THR A 52 -1.310 6.273 -4.648 1.00 0.00 N ATOM 756 CA THR A 52 -0.061 5.522 -4.659 1.00 0.00 C ATOM 757 C THR A 52 -0.005 4.532 -3.501 1.00 0.00 C ATOM 758 O THR A 52 -0.189 4.906 -2.342 1.00 0.00 O ATOM 759 CB THR A 52 1.159 6.459 -4.579 1.00 0.00 C ATOM 760 OG1 THR A 52 1.016 7.531 -5.516 1.00 0.00 O ATOM 761 CG2 THR A 52 2.445 5.698 -4.864 1.00 0.00 C ATOM 0 H THR A 52 -1.264 7.160 -4.147 1.00 0.00 H new ATOM 0 HA THR A 52 -0.028 4.976 -5.602 1.00 0.00 H new ATOM 0 HB THR A 52 1.212 6.865 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.306 8.370 -5.100 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.293 6.380 -4.802 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.566 4.901 -4.131 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.399 5.267 -5.864 1.00 0.00 H new ATOM 769 N VAL A 53 0.253 3.268 -3.821 1.00 0.00 N ATOM 770 CA VAL A 53 0.335 2.224 -2.806 1.00 0.00 C ATOM 771 C VAL A 53 1.715 1.577 -2.795 1.00 0.00 C ATOM 772 O VAL A 53 2.188 1.080 -3.817 1.00 0.00 O ATOM 773 CB VAL A 53 -0.729 1.134 -3.034 1.00 0.00 C ATOM 774 CG1 VAL A 53 -0.471 -0.062 -2.130 1.00 0.00 C ATOM 775 CG2 VAL A 53 -2.124 1.696 -2.803 1.00 0.00 C ATOM 0 H VAL A 53 0.409 2.942 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 53 0.153 2.703 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.664 0.797 -4.069 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.233 -0.822 -2.305 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.513 -0.478 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.508 0.255 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.864 0.913 -2.968 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.204 2.061 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.305 2.518 -3.496 1.00 0.00 H new ATOM 785 N PHE A 54 2.357 1.585 -1.631 1.00 0.00 N ATOM 786 CA PHE A 54 3.685 0.998 -1.486 1.00 0.00 C ATOM 787 C PHE A 54 3.598 -0.399 -0.879 1.00 0.00 C ATOM 788 O PHE A 54 2.790 -0.651 0.014 1.00 0.00 O ATOM 789 CB PHE A 54 4.568 1.893 -0.613 1.00 0.00 C ATOM 790 CG PHE A 54 4.963 3.179 -1.280 1.00 0.00 C ATOM 791 CD1 PHE A 54 4.082 4.248 -1.329 1.00 0.00 C ATOM 792 CD2 PHE A 54 6.215 3.320 -1.857 1.00 0.00 C ATOM 793 CE1 PHE A 54 4.443 5.433 -1.943 1.00 0.00 C ATOM 794 CE2 PHE A 54 6.581 4.503 -2.471 1.00 0.00 C ATOM 795 CZ PHE A 54 5.695 5.561 -2.514 1.00 0.00 C ATOM 0 H PHE A 54 1.980 1.991 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 54 4.130 0.917 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 54 4.039 2.121 0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.469 1.344 -0.338 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.103 4.154 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.913 2.496 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.747 6.258 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.560 4.600 -2.917 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.980 6.486 -2.993 1.00 0.00 H new ATOM 805 N PHE A 55 4.438 -1.304 -1.372 1.00 0.00 N ATOM 806 CA PHE A 55 4.456 -2.677 -0.880 1.00 0.00 C ATOM 807 C PHE A 55 5.884 -3.211 -0.812 1.00 0.00 C ATOM 808 O PHE A 55 6.667 -3.042 -1.746 1.00 0.00 O ATOM 809 CB PHE A 55 3.606 -3.575 -1.781 1.00 0.00 C ATOM 810 CG PHE A 55 3.917 -3.425 -3.242 1.00 0.00 C ATOM 811 CD1 PHE A 55 3.451 -2.332 -3.955 1.00 0.00 C ATOM 812 CD2 PHE A 55 4.677 -4.376 -3.904 1.00 0.00 C ATOM 813 CE1 PHE A 55 3.735 -2.192 -5.300 1.00 0.00 C ATOM 814 CE2 PHE A 55 4.965 -4.241 -5.249 1.00 0.00 C ATOM 815 CZ PHE A 55 4.494 -3.147 -5.948 1.00 0.00 C ATOM 0 H PHE A 55 5.114 -1.111 -2.111 1.00 0.00 H new ATOM 0 HA PHE A 55 4.036 -2.682 0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.757 -4.615 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.553 -3.348 -1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.859 -1.581 -3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.049 -5.233 -3.362 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.364 -1.336 -5.844 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.558 -4.990 -5.753 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.719 -3.038 -6.999 1.00 0.00 H new ATOM 825 N SER A 56 6.216 -3.855 0.303 1.00 0.00 N ATOM 826 CA SER A 56 7.550 -4.410 0.496 1.00 0.00 C ATOM 827 C SER A 56 7.484 -5.734 1.252 1.00 0.00 C ATOM 828 O SER A 56 6.687 -5.893 2.177 1.00 0.00 O ATOM 829 CB SER A 56 8.433 -3.419 1.257 1.00 0.00 C ATOM 830 OG SER A 56 8.013 -3.292 2.604 1.00 0.00 O ATOM 0 H SER A 56 5.579 -4.005 1.086 1.00 0.00 H new ATOM 0 HA SER A 56 7.985 -4.594 -0.486 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.470 -3.753 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.397 -2.445 0.768 1.00 0.00 H new ATOM 0 HG SER A 56 8.594 -2.655 3.069 1.00 0.00 H new ATOM 836 N ARG A 57 8.326 -6.680 0.852 1.00 0.00 N ATOM 837 CA ARG A 57 8.363 -7.990 1.490 1.00 0.00 C ATOM 838 C ARG A 57 8.817 -7.875 2.942 1.00 0.00 C ATOM 839 O ARG A 57 9.475 -6.907 3.321 1.00 0.00 O ATOM 840 CB ARG A 57 9.299 -8.928 0.725 1.00 0.00 C ATOM 841 CG ARG A 57 9.238 -10.370 1.199 1.00 0.00 C ATOM 842 CD ARG A 57 9.816 -11.322 0.164 1.00 0.00 C ATOM 843 NE ARG A 57 10.405 -12.508 0.779 1.00 0.00 N ATOM 844 CZ ARG A 57 11.315 -13.270 0.184 1.00 0.00 C ATOM 845 NH1 ARG A 57 11.740 -12.971 -1.036 1.00 0.00 N ATOM 846 NH2 ARG A 57 11.804 -14.334 0.809 1.00 0.00 N ATOM 0 H ARG A 57 8.992 -6.564 0.089 1.00 0.00 H new ATOM 0 HA ARG A 57 7.354 -8.402 1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.048 -8.892 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.322 -8.565 0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.788 -10.470 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.203 -10.642 1.407 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.030 -11.625 -0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.575 -10.803 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 57 10.100 -12.765 1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.368 -12.154 -1.520 1.00 0.00 H new ATOM 0 HH12 ARG A 57 12.439 -13.558 -1.491 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.481 -14.567 1.748 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.503 -14.918 0.350 1.00 0.00 H new ATOM 860 N GLU A 58 8.459 -8.869 3.749 1.00 0.00 N ATOM 861 CA GLU A 58 8.829 -8.878 5.160 1.00 0.00 C ATOM 862 C GLU A 58 10.328 -9.107 5.328 1.00 0.00 C ATOM 863 O GLU A 58 10.778 -10.237 5.513 1.00 0.00 O ATOM 864 CB GLU A 58 8.049 -9.962 5.907 1.00 0.00 C ATOM 865 CG GLU A 58 8.495 -10.148 7.348 1.00 0.00 C ATOM 866 CD GLU A 58 8.243 -8.919 8.200 1.00 0.00 C ATOM 867 OE1 GLU A 58 8.698 -7.823 7.811 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.591 -9.055 9.257 1.00 0.00 O ATOM 0 H GLU A 58 7.914 -9.678 3.450 1.00 0.00 H new ATOM 0 HA GLU A 58 8.579 -7.904 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.989 -9.710 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.159 -10.908 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.969 -10.999 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.558 -10.387 7.367 1.00 0.00 H new ATOM 875 N GLY A 59 11.097 -8.024 5.261 1.00 0.00 N ATOM 876 CA GLY A 59 12.538 -8.128 5.407 1.00 0.00 C ATOM 877 C GLY A 59 13.283 -7.576 4.208 1.00 0.00 C ATOM 878 O GLY A 59 14.066 -8.284 3.576 1.00 0.00 O ATOM 0 H GLY A 59 10.749 -7.078 5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.849 -7.591 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.811 -9.173 5.551 1.00 0.00 H new ATOM 882 N ASP A 60 13.039 -6.308 3.894 1.00 0.00 N ATOM 883 CA ASP A 60 13.692 -5.662 2.762 1.00 0.00 C ATOM 884 C ASP A 60 14.169 -4.262 3.137 1.00 0.00 C ATOM 885 O ASP A 60 13.915 -3.785 4.242 1.00 0.00 O ATOM 886 CB ASP A 60 12.738 -5.586 1.569 1.00 0.00 C ATOM 887 CG ASP A 60 12.807 -6.821 0.693 1.00 0.00 C ATOM 888 OD1 ASP A 60 12.705 -7.941 1.237 1.00 0.00 O ATOM 889 OD2 ASP A 60 12.964 -6.669 -0.536 1.00 0.00 O ATOM 0 H ASP A 60 12.394 -5.708 4.408 1.00 0.00 H new ATOM 0 HA ASP A 60 14.560 -6.261 2.485 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.718 -5.457 1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.978 -4.706 0.971 1.00 0.00 H new ATOM 894 N ASN A 61 14.861 -3.610 2.209 1.00 0.00 N ATOM 895 CA ASN A 61 15.375 -2.265 2.443 1.00 0.00 C ATOM 896 C ASN A 61 14.608 -1.238 1.616 1.00 0.00 C ATOM 897 O ASN A 61 14.340 -0.129 2.079 1.00 0.00 O ATOM 898 CB ASN A 61 16.865 -2.199 2.102 1.00 0.00 C ATOM 899 CG ASN A 61 17.674 -3.248 2.842 1.00 0.00 C ATOM 900 OD1 ASN A 61 17.588 -4.439 2.543 1.00 0.00 O ATOM 901 ND2 ASN A 61 18.465 -2.808 3.813 1.00 0.00 N ATOM 0 H ASN A 61 15.079 -3.991 1.288 1.00 0.00 H new ATOM 0 HA ASN A 61 15.240 -2.030 3.499 1.00 0.00 H new ATOM 0 HB2 ASN A 61 16.996 -2.334 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 61 17.248 -1.208 2.348 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.033 -3.467 4.346 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.505 -1.811 4.026 1.00 0.00 H new ATOM 908 N ARG A 62 14.256 -1.615 0.392 1.00 0.00 N ATOM 909 CA ARG A 62 13.520 -0.727 -0.500 1.00 0.00 C ATOM 910 C ARG A 62 12.142 -1.300 -0.822 1.00 0.00 C ATOM 911 O ARG A 62 11.910 -2.500 -0.678 1.00 0.00 O ATOM 912 CB ARG A 62 14.305 -0.502 -1.793 1.00 0.00 C ATOM 913 CG ARG A 62 15.414 0.528 -1.661 1.00 0.00 C ATOM 914 CD ARG A 62 15.868 1.036 -3.021 1.00 0.00 C ATOM 915 NE ARG A 62 16.708 2.225 -2.909 1.00 0.00 N ATOM 916 CZ ARG A 62 17.012 3.010 -3.937 1.00 0.00 C ATOM 917 NH1 ARG A 62 16.547 2.732 -5.147 1.00 0.00 N ATOM 918 NH2 ARG A 62 17.783 4.074 -3.755 1.00 0.00 N ATOM 0 H ARG A 62 14.469 -2.530 -0.005 1.00 0.00 H new ATOM 0 HA ARG A 62 13.388 0.229 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.737 -1.449 -2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.616 -0.183 -2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 62 15.064 1.365 -1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.261 0.087 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.420 0.250 -3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.995 1.265 -3.632 1.00 0.00 H new ATOM 0 HE ARG A 62 17.082 2.466 -1.991 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.955 1.914 -5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.782 3.336 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.143 4.290 -2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.016 4.676 -4.545 1.00 0.00 H new ATOM 932 N GLU A 63 11.233 -0.433 -1.256 1.00 0.00 N ATOM 933 CA GLU A 63 9.879 -0.853 -1.596 1.00 0.00 C ATOM 934 C GLU A 63 9.437 -0.241 -2.923 1.00 0.00 C ATOM 935 O GLU A 63 9.864 0.855 -3.286 1.00 0.00 O ATOM 936 CB GLU A 63 8.903 -0.453 -0.487 1.00 0.00 C ATOM 937 CG GLU A 63 8.577 1.031 -0.470 1.00 0.00 C ATOM 938 CD GLU A 63 9.510 1.823 0.426 1.00 0.00 C ATOM 939 OE1 GLU A 63 9.205 1.958 1.629 1.00 0.00 O ATOM 940 OE2 GLU A 63 10.545 2.308 -0.078 1.00 0.00 O ATOM 0 H GLU A 63 11.410 0.564 -1.380 1.00 0.00 H new ATOM 0 HA GLU A 63 9.877 -1.938 -1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.979 -1.018 -0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.326 -0.735 0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.634 1.423 -1.485 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.550 1.170 -0.132 1.00 0.00 H new ATOM 947 N ARG A 64 8.578 -0.958 -3.641 1.00 0.00 N ATOM 948 CA ARG A 64 8.079 -0.487 -4.927 1.00 0.00 C ATOM 949 C ARG A 64 6.889 0.450 -4.739 1.00 0.00 C ATOM 950 O ARG A 64 6.395 0.626 -3.626 1.00 0.00 O ATOM 951 CB ARG A 64 7.674 -1.672 -5.806 1.00 0.00 C ATOM 952 CG ARG A 64 8.826 -2.608 -6.135 1.00 0.00 C ATOM 953 CD ARG A 64 8.623 -3.290 -7.478 1.00 0.00 C ATOM 954 NE ARG A 64 9.886 -3.734 -8.064 1.00 0.00 N ATOM 955 CZ ARG A 64 9.994 -4.221 -9.294 1.00 0.00 C ATOM 956 NH1 ARG A 64 8.921 -4.327 -10.066 1.00 0.00 N ATOM 957 NH2 ARG A 64 11.178 -4.604 -9.756 1.00 0.00 N ATOM 0 H ARG A 64 8.214 -1.866 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 64 8.880 0.065 -5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.891 -2.237 -5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.247 -1.295 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.760 -2.046 -6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.918 -3.362 -5.353 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.961 -4.147 -7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.128 -2.602 -8.163 1.00 0.00 H new ATOM 0 HE ARG A 64 10.731 -3.666 -7.497 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.009 -4.034 -9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.007 -4.702 -11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 64 12.006 -4.524 -9.166 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.260 -4.978 -10.701 1.00 0.00 H new ATOM 971 N ALA A 65 6.436 1.049 -5.835 1.00 0.00 N ATOM 972 CA ALA A 65 5.304 1.966 -5.791 1.00 0.00 C ATOM 973 C ALA A 65 4.456 1.853 -7.054 1.00 0.00 C ATOM 974 O ALA A 65 4.927 2.134 -8.157 1.00 0.00 O ATOM 975 CB ALA A 65 5.790 3.396 -5.606 1.00 0.00 C ATOM 0 H ALA A 65 6.835 0.916 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 65 4.680 1.693 -4.940 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.934 4.070 -5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.347 3.473 -4.672 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.438 3.671 -6.438 1.00 0.00 H new ATOM 981 N LEU A 66 3.205 1.441 -6.886 1.00 0.00 N ATOM 982 CA LEU A 66 2.291 1.290 -8.013 1.00 0.00 C ATOM 983 C LEU A 66 1.134 2.279 -7.912 1.00 0.00 C ATOM 984 O LEU A 66 0.207 2.086 -7.127 1.00 0.00 O ATOM 985 CB LEU A 66 1.751 -0.140 -8.069 1.00 0.00 C ATOM 986 CG LEU A 66 0.763 -0.441 -9.197 1.00 0.00 C ATOM 987 CD1 LEU A 66 0.866 -1.897 -9.623 1.00 0.00 C ATOM 988 CD2 LEU A 66 -0.658 -0.109 -8.764 1.00 0.00 C ATOM 0 H LEU A 66 2.800 1.205 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 66 2.845 1.499 -8.928 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.596 -0.823 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.265 -0.361 -7.119 1.00 0.00 H new ATOM 0 HG LEU A 66 1.017 0.185 -10.053 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.156 -2.092 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.877 -2.103 -9.975 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.639 -2.542 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.348 -0.329 -9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.922 -0.708 -7.893 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.723 0.949 -8.510 1.00 0.00 H new ATOM 1000 N ASN A 67 1.195 3.337 -8.714 1.00 0.00 N ATOM 1001 CA ASN A 67 0.151 4.356 -8.716 1.00 0.00 C ATOM 1002 C ASN A 67 -0.726 4.233 -9.958 1.00 0.00 C ATOM 1003 O ASN A 67 -0.350 4.673 -11.045 1.00 0.00 O ATOM 1004 CB ASN A 67 0.773 5.752 -8.653 1.00 0.00 C ATOM 1005 CG ASN A 67 1.876 5.941 -9.676 1.00 0.00 C ATOM 1006 OD1 ASN A 67 2.985 5.433 -9.510 1.00 0.00 O ATOM 1007 ND2 ASN A 67 1.576 6.674 -10.742 1.00 0.00 N ATOM 0 H ASN A 67 1.956 3.511 -9.371 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.473 4.204 -7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.003 6.500 -8.817 1.00 0.00 H new ATOM 0 HB3 ASN A 67 1.175 5.923 -7.654 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.278 6.835 -11.464 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.644 7.076 -10.839 1.00 0.00 H new ATOM 1014 N THR A 68 -1.900 3.631 -9.789 1.00 0.00 N ATOM 1015 CA THR A 68 -2.831 3.449 -10.896 1.00 0.00 C ATOM 1016 C THR A 68 -4.214 3.053 -10.390 1.00 0.00 C ATOM 1017 O THR A 68 -4.428 1.920 -9.959 1.00 0.00 O ATOM 1018 CB THR A 68 -2.330 2.376 -11.881 1.00 0.00 C ATOM 1019 OG1 THR A 68 -1.063 2.763 -12.423 1.00 0.00 O ATOM 1020 CG2 THR A 68 -3.329 2.170 -13.010 1.00 0.00 C ATOM 0 H THR A 68 -2.228 3.262 -8.897 1.00 0.00 H new ATOM 0 HA THR A 68 -2.897 4.405 -11.415 1.00 0.00 H new ATOM 0 HB THR A 68 -2.221 1.437 -11.338 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.947 3.731 -12.325 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.954 1.408 -13.693 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.284 1.848 -12.596 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.465 3.107 -13.551 1.00 0.00 H new ATOM 1028 N THR A 69 -5.152 3.994 -10.447 1.00 0.00 N ATOM 1029 CA THR A 69 -6.514 3.743 -9.995 1.00 0.00 C ATOM 1030 C THR A 69 -7.516 4.585 -10.777 1.00 0.00 C ATOM 1031 O THR A 69 -7.423 5.812 -10.801 1.00 0.00 O ATOM 1032 CB THR A 69 -6.671 4.041 -8.492 1.00 0.00 C ATOM 1033 OG1 THR A 69 -5.772 5.085 -8.104 1.00 0.00 O ATOM 1034 CG2 THR A 69 -6.400 2.796 -7.662 1.00 0.00 C ATOM 0 H THR A 69 -4.992 4.937 -10.802 1.00 0.00 H new ATOM 0 HA THR A 69 -6.716 2.686 -10.171 1.00 0.00 H new ATOM 0 HB THR A 69 -7.697 4.361 -8.312 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.383 5.496 -8.904 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.517 3.031 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.106 2.013 -7.940 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.383 2.450 -7.846 1.00 0.00 H new ATOM 1042 N GLN A 70 -8.474 3.918 -11.413 1.00 0.00 N ATOM 1043 CA GLN A 70 -9.494 4.607 -12.195 1.00 0.00 C ATOM 1044 C GLN A 70 -9.950 5.881 -11.492 1.00 0.00 C ATOM 1045 O GLN A 70 -9.754 6.061 -10.290 1.00 0.00 O ATOM 1046 CB GLN A 70 -10.691 3.686 -12.435 1.00 0.00 C ATOM 1047 CG GLN A 70 -10.569 2.846 -13.696 1.00 0.00 C ATOM 1048 CD GLN A 70 -9.314 1.997 -13.713 1.00 0.00 C ATOM 1049 OE1 GLN A 70 -8.239 2.464 -14.089 1.00 0.00 O ATOM 1050 NE2 GLN A 70 -9.443 0.740 -13.303 1.00 0.00 N ATOM 0 H GLN A 70 -8.565 2.902 -11.402 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.057 4.880 -13.155 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.807 3.024 -11.577 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.597 4.289 -12.497 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.442 2.199 -13.783 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.571 3.502 -14.566 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.353 0.393 -12.999 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.632 0.121 -13.292 1.00 0.00 H new ATOM 1059 N PRO A 71 -10.574 6.789 -12.258 1.00 0.00 N ATOM 1060 CA PRO A 71 -11.072 8.062 -11.730 1.00 0.00 C ATOM 1061 C PRO A 71 -12.268 7.877 -10.802 1.00 0.00 C ATOM 1062 O PRO A 71 -13.418 7.919 -11.240 1.00 0.00 O ATOM 1063 CB PRO A 71 -11.484 8.831 -12.987 1.00 0.00 C ATOM 1064 CG PRO A 71 -11.783 7.776 -13.996 1.00 0.00 C ATOM 1065 CD PRO A 71 -10.843 6.641 -13.698 1.00 0.00 C ATOM 0 HA PRO A 71 -10.322 8.574 -11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.356 9.458 -12.800 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -10.685 9.490 -13.328 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.821 7.452 -13.926 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.634 8.151 -15.009 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.295 5.675 -13.925 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.928 6.712 -14.287 1.00 0.00 H new ATOM 1073 N GLY A 72 -11.990 7.673 -9.518 1.00 0.00 N ATOM 1074 CA GLY A 72 -13.054 7.485 -8.550 1.00 0.00 C ATOM 1075 C GLY A 72 -13.022 6.111 -7.912 1.00 0.00 C ATOM 1076 O GLY A 72 -13.924 5.748 -7.156 1.00 0.00 O ATOM 0 H GLY A 72 -11.047 7.635 -9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.972 8.245 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.017 7.632 -9.040 1.00 0.00 H new ATOM 1080 N SER A 73 -11.981 5.342 -8.217 1.00 0.00 N ATOM 1081 CA SER A 73 -11.838 3.997 -7.673 1.00 0.00 C ATOM 1082 C SER A 73 -10.968 4.009 -6.420 1.00 0.00 C ATOM 1083 O SER A 73 -9.914 4.645 -6.387 1.00 0.00 O ATOM 1084 CB SER A 73 -11.231 3.062 -8.721 1.00 0.00 C ATOM 1085 OG SER A 73 -9.815 3.131 -8.706 1.00 0.00 O ATOM 0 H SER A 73 -11.224 5.628 -8.838 1.00 0.00 H new ATOM 0 HA SER A 73 -12.829 3.633 -7.403 1.00 0.00 H new ATOM 0 HB2 SER A 73 -11.551 2.038 -8.528 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.601 3.330 -9.711 1.00 0.00 H new ATOM 0 HG SER A 73 -9.451 2.524 -9.383 1.00 0.00 H new ATOM 1091 N LEU A 74 -11.416 3.300 -5.389 1.00 0.00 N ATOM 1092 CA LEU A 74 -10.680 3.227 -4.132 1.00 0.00 C ATOM 1093 C LEU A 74 -10.123 1.825 -3.908 1.00 0.00 C ATOM 1094 O LEU A 74 -9.562 1.532 -2.852 1.00 0.00 O ATOM 1095 CB LEU A 74 -11.586 3.621 -2.964 1.00 0.00 C ATOM 1096 CG LEU A 74 -11.950 5.103 -2.868 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -10.746 5.922 -2.430 1.00 0.00 C ATOM 1098 CD2 LEU A 74 -12.485 5.608 -4.200 1.00 0.00 C ATOM 0 H LEU A 74 -12.286 2.767 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.845 3.925 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -12.508 3.045 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.097 3.327 -2.035 1.00 0.00 H new ATOM 0 HG LEU A 74 -12.733 5.217 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -11.025 6.974 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.408 5.578 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -9.941 5.802 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.739 6.664 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -11.724 5.480 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.376 5.042 -4.472 1.00 0.00 H new ATOM 1110 N GLN A 75 -10.280 0.964 -4.909 1.00 0.00 N ATOM 1111 CA GLN A 75 -9.791 -0.406 -4.820 1.00 0.00 C ATOM 1112 C GLN A 75 -8.636 -0.636 -5.789 1.00 0.00 C ATOM 1113 O GLN A 75 -8.701 -0.241 -6.954 1.00 0.00 O ATOM 1114 CB GLN A 75 -10.922 -1.394 -5.114 1.00 0.00 C ATOM 1115 CG GLN A 75 -12.150 -1.189 -4.241 1.00 0.00 C ATOM 1116 CD GLN A 75 -13.213 -2.245 -4.473 1.00 0.00 C ATOM 1117 OE1 GLN A 75 -13.581 -2.532 -5.613 1.00 0.00 O ATOM 1118 NE2 GLN A 75 -13.714 -2.829 -3.391 1.00 0.00 N ATOM 0 H GLN A 75 -10.742 1.191 -5.790 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.429 -0.570 -3.805 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.211 -1.302 -6.161 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.552 -2.410 -4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.852 -1.203 -3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -12.572 -0.204 -4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.380 -2.560 -2.465 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.433 -3.546 -3.485 1.00 0.00 H new ATOM 1127 N LEU A 76 -7.579 -1.276 -5.301 1.00 0.00 N ATOM 1128 CA LEU A 76 -6.408 -1.558 -6.124 1.00 0.00 C ATOM 1129 C LEU A 76 -5.964 -3.008 -5.960 1.00 0.00 C ATOM 1130 O LEU A 76 -5.707 -3.468 -4.846 1.00 0.00 O ATOM 1131 CB LEU A 76 -5.261 -0.616 -5.753 1.00 0.00 C ATOM 1132 CG LEU A 76 -3.918 -0.895 -6.429 1.00 0.00 C ATOM 1133 CD1 LEU A 76 -4.089 -0.986 -7.938 1.00 0.00 C ATOM 1134 CD2 LEU A 76 -2.906 0.182 -6.069 1.00 0.00 C ATOM 0 H LEU A 76 -7.509 -1.609 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.680 -1.396 -7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.562 0.403 -5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.117 -0.658 -4.673 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.543 -1.853 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.123 -1.185 -8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.780 -1.794 -8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.486 -0.044 -8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.956 -0.033 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.274 1.153 -6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.761 0.199 -4.989 1.00 0.00 H new ATOM 1146 N THR A 77 -5.873 -3.724 -7.076 1.00 0.00 N ATOM 1147 CA THR A 77 -5.458 -5.121 -7.057 1.00 0.00 C ATOM 1148 C THR A 77 -3.979 -5.260 -7.398 1.00 0.00 C ATOM 1149 O THR A 77 -3.590 -5.184 -8.563 1.00 0.00 O ATOM 1150 CB THR A 77 -6.283 -5.966 -8.046 1.00 0.00 C ATOM 1151 OG1 THR A 77 -7.681 -5.725 -7.848 1.00 0.00 O ATOM 1152 CG2 THR A 77 -5.989 -7.448 -7.868 1.00 0.00 C ATOM 0 H THR A 77 -6.081 -3.359 -8.005 1.00 0.00 H new ATOM 0 HA THR A 77 -5.631 -5.488 -6.045 1.00 0.00 H new ATOM 0 HB THR A 77 -6.004 -5.676 -9.059 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.190 -6.136 -8.578 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.583 -8.025 -8.577 1.00 0.00 H new ATOM 0 HG22 THR A 77 -4.930 -7.633 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 77 -6.243 -7.750 -6.852 1.00 0.00 H new ATOM 1160 N VAL A 78 -3.157 -5.466 -6.373 1.00 0.00 N ATOM 1161 CA VAL A 78 -1.720 -5.618 -6.565 1.00 0.00 C ATOM 1162 C VAL A 78 -1.341 -7.084 -6.746 1.00 0.00 C ATOM 1163 O VAL A 78 -1.349 -7.860 -5.791 1.00 0.00 O ATOM 1164 CB VAL A 78 -0.930 -5.038 -5.377 1.00 0.00 C ATOM 1165 CG1 VAL A 78 0.566 -5.201 -5.599 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -1.290 -3.576 -5.161 1.00 0.00 C ATOM 0 H VAL A 78 -3.462 -5.531 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.462 -5.065 -7.468 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.201 -5.592 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.107 -4.785 -4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.806 -6.260 -5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.858 -4.675 -6.508 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.723 -3.182 -4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.049 -3.006 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.356 -3.491 -4.952 1.00 0.00 H new ATOM 1176 N GLY A 79 -1.010 -7.457 -7.978 1.00 0.00 N ATOM 1177 CA GLY A 79 -0.633 -8.829 -8.262 1.00 0.00 C ATOM 1178 C GLY A 79 0.868 -9.039 -8.216 1.00 0.00 C ATOM 1179 O GLY A 79 1.611 -8.162 -7.779 1.00 0.00 O ATOM 0 H GLY A 79 -0.996 -6.833 -8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.112 -9.491 -7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.006 -9.109 -9.247 1.00 0.00 H new ATOM 1183 N ASN A 80 1.314 -10.207 -8.667 1.00 0.00 N ATOM 1184 CA ASN A 80 2.737 -10.531 -8.673 1.00 0.00 C ATOM 1185 C ASN A 80 3.296 -10.552 -7.254 1.00 0.00 C ATOM 1186 O ASN A 80 4.286 -9.882 -6.955 1.00 0.00 O ATOM 1187 CB ASN A 80 3.507 -9.519 -9.523 1.00 0.00 C ATOM 1188 CG ASN A 80 3.218 -9.668 -11.004 1.00 0.00 C ATOM 1189 OD1 ASN A 80 3.208 -10.778 -11.537 1.00 0.00 O ATOM 1190 ND2 ASN A 80 2.982 -8.547 -11.676 1.00 0.00 N ATOM 0 H ASN A 80 0.712 -10.944 -9.033 1.00 0.00 H new ATOM 0 HA ASN A 80 2.857 -11.524 -9.105 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.247 -8.509 -9.205 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.576 -9.642 -9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.782 -8.584 -12.676 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.001 -7.649 -11.193 1.00 0.00 H new ATOM 1197 N LEU A 81 2.657 -11.325 -6.383 1.00 0.00 N ATOM 1198 CA LEU A 81 3.090 -11.434 -4.994 1.00 0.00 C ATOM 1199 C LEU A 81 3.349 -12.889 -4.618 1.00 0.00 C ATOM 1200 O LEU A 81 2.516 -13.762 -4.860 1.00 0.00 O ATOM 1201 CB LEU A 81 2.037 -10.833 -4.062 1.00 0.00 C ATOM 1202 CG LEU A 81 1.501 -9.455 -4.453 1.00 0.00 C ATOM 1203 CD1 LEU A 81 0.257 -9.117 -3.647 1.00 0.00 C ATOM 1204 CD2 LEU A 81 2.572 -8.391 -4.257 1.00 0.00 C ATOM 0 H LEU A 81 1.837 -11.886 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 81 4.021 -10.878 -4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.196 -11.524 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.464 -10.764 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 81 1.229 -9.478 -5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.110 -8.133 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.514 -9.863 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.502 -9.112 -2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.173 -7.417 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 81 2.875 -8.369 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.435 -8.625 -4.880 1.00 0.00 H new ATOM 1216 N LYS A 82 4.509 -13.143 -4.021 1.00 0.00 N ATOM 1217 CA LYS A 82 4.877 -14.491 -3.607 1.00 0.00 C ATOM 1218 C LYS A 82 3.933 -15.005 -2.525 1.00 0.00 C ATOM 1219 O LYS A 82 3.608 -14.304 -1.567 1.00 0.00 O ATOM 1220 CB LYS A 82 6.319 -14.513 -3.092 1.00 0.00 C ATOM 1221 CG LYS A 82 7.033 -15.831 -3.339 1.00 0.00 C ATOM 1222 CD LYS A 82 8.540 -15.645 -3.399 1.00 0.00 C ATOM 1223 CE LYS A 82 9.177 -15.812 -2.028 1.00 0.00 C ATOM 1224 NZ LYS A 82 10.664 -15.825 -2.105 1.00 0.00 N ATOM 0 H LYS A 82 5.210 -12.432 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 82 4.797 -15.145 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.879 -13.710 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.317 -14.305 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.784 -16.535 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.682 -16.267 -4.274 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.970 -16.369 -4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.770 -14.654 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.854 -15.000 -1.376 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.829 -16.741 -1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.060 -15.941 -1.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.974 -16.615 -2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.998 -14.928 -2.512 1.00 0.00 H new ATOM 1238 N PRO A 83 3.481 -16.259 -2.679 1.00 0.00 N ATOM 1239 CA PRO A 83 2.569 -16.895 -1.724 1.00 0.00 C ATOM 1240 C PRO A 83 3.245 -17.198 -0.391 1.00 0.00 C ATOM 1241 O PRO A 83 4.453 -17.426 -0.335 1.00 0.00 O ATOM 1242 CB PRO A 83 2.169 -18.194 -2.427 1.00 0.00 C ATOM 1243 CG PRO A 83 3.298 -18.488 -3.353 1.00 0.00 C ATOM 1244 CD PRO A 83 3.827 -17.152 -3.797 1.00 0.00 C ATOM 0 HA PRO A 83 1.725 -16.251 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.024 -19.003 -1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.231 -18.077 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.073 -19.068 -2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.960 -19.077 -4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.903 -17.183 -3.968 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.365 -16.827 -4.729 1.00 0.00 H new ATOM 1252 N GLU A 84 2.457 -17.197 0.680 1.00 0.00 N ATOM 1253 CA GLU A 84 2.981 -17.472 2.013 1.00 0.00 C ATOM 1254 C GLU A 84 4.099 -16.496 2.370 1.00 0.00 C ATOM 1255 O GLU A 84 5.169 -16.901 2.824 1.00 0.00 O ATOM 1256 CB GLU A 84 3.498 -18.910 2.096 1.00 0.00 C ATOM 1257 CG GLU A 84 2.393 -19.951 2.155 1.00 0.00 C ATOM 1258 CD GLU A 84 2.833 -21.230 2.841 1.00 0.00 C ATOM 1259 OE1 GLU A 84 2.987 -21.215 4.081 1.00 0.00 O ATOM 1260 OE2 GLU A 84 3.024 -22.245 2.140 1.00 0.00 O ATOM 0 H GLU A 84 1.455 -17.009 0.651 1.00 0.00 H new ATOM 0 HA GLU A 84 2.168 -17.344 2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.129 -19.111 1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.128 -19.010 2.980 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.535 -19.536 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.062 -20.182 1.143 1.00 0.00 H new ATOM 1267 N ALA A 85 3.843 -15.209 2.160 1.00 0.00 N ATOM 1268 CA ALA A 85 4.826 -14.176 2.460 1.00 0.00 C ATOM 1269 C ALA A 85 4.153 -12.918 2.999 1.00 0.00 C ATOM 1270 O ALA A 85 3.257 -12.362 2.365 1.00 0.00 O ATOM 1271 CB ALA A 85 5.644 -13.849 1.219 1.00 0.00 C ATOM 0 H ALA A 85 2.963 -14.857 1.783 1.00 0.00 H new ATOM 0 HA ALA A 85 5.494 -14.558 3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.374 -13.076 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.163 -14.745 0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.982 -13.491 0.431 1.00 0.00 H new ATOM 1277 N MET A 86 4.592 -12.475 4.173 1.00 0.00 N ATOM 1278 CA MET A 86 4.031 -11.282 4.797 1.00 0.00 C ATOM 1279 C MET A 86 4.471 -10.024 4.056 1.00 0.00 C ATOM 1280 O MET A 86 5.657 -9.834 3.785 1.00 0.00 O ATOM 1281 CB MET A 86 4.457 -11.200 6.264 1.00 0.00 C ATOM 1282 CG MET A 86 3.857 -10.016 7.005 1.00 0.00 C ATOM 1283 SD MET A 86 3.744 -10.295 8.783 1.00 0.00 S ATOM 1284 CE MET A 86 1.987 -10.588 8.969 1.00 0.00 C ATOM 0 H MET A 86 5.334 -12.924 4.711 1.00 0.00 H new ATOM 0 HA MET A 86 2.944 -11.351 4.745 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.166 -12.120 6.770 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.544 -11.138 6.315 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.464 -9.130 6.818 1.00 0.00 H new ATOM 0 HG3 MET A 86 2.862 -9.811 6.609 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.579 -9.898 9.708 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.489 -10.431 8.012 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.822 -11.613 9.300 1.00 0.00 H new ATOM 1294 N TYR A 87 3.509 -9.167 3.731 1.00 0.00 N ATOM 1295 CA TYR A 87 3.798 -7.928 3.019 1.00 0.00 C ATOM 1296 C TYR A 87 3.141 -6.737 3.710 1.00 0.00 C ATOM 1297 O TYR A 87 2.114 -6.878 4.375 1.00 0.00 O ATOM 1298 CB TYR A 87 3.313 -8.023 1.571 1.00 0.00 C ATOM 1299 CG TYR A 87 4.269 -8.759 0.659 1.00 0.00 C ATOM 1300 CD1 TYR A 87 5.308 -8.091 0.024 1.00 0.00 C ATOM 1301 CD2 TYR A 87 4.133 -10.123 0.434 1.00 0.00 C ATOM 1302 CE1 TYR A 87 6.183 -8.760 -0.810 1.00 0.00 C ATOM 1303 CE2 TYR A 87 5.004 -10.801 -0.397 1.00 0.00 C ATOM 1304 CZ TYR A 87 6.027 -10.114 -1.017 1.00 0.00 C ATOM 1305 OH TYR A 87 6.897 -10.784 -1.846 1.00 0.00 O ATOM 0 H TYR A 87 2.523 -9.308 3.949 1.00 0.00 H new ATOM 0 HA TYR A 87 4.878 -7.778 3.025 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.346 -8.527 1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.156 -7.017 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.434 -7.031 0.185 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.332 -10.663 0.917 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.985 -8.225 -1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.885 -11.862 -0.560 1.00 0.00 H new ATOM 0 HH TYR A 87 6.649 -11.731 -1.883 1.00 0.00 H new ATOM 1315 N THR A 88 3.741 -5.562 3.547 1.00 0.00 N ATOM 1316 CA THR A 88 3.216 -4.345 4.154 1.00 0.00 C ATOM 1317 C THR A 88 2.660 -3.398 3.097 1.00 0.00 C ATOM 1318 O THR A 88 3.408 -2.843 2.291 1.00 0.00 O ATOM 1319 CB THR A 88 4.300 -3.610 4.966 1.00 0.00 C ATOM 1320 OG1 THR A 88 4.798 -4.464 6.002 1.00 0.00 O ATOM 1321 CG2 THR A 88 3.745 -2.333 5.577 1.00 0.00 C ATOM 0 H THR A 88 4.591 -5.427 3.000 1.00 0.00 H new ATOM 0 HA THR A 88 2.412 -4.648 4.825 1.00 0.00 H new ATOM 0 HB THR A 88 5.114 -3.346 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.488 -3.991 6.513 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.528 -1.831 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.393 -1.673 4.784 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.915 -2.578 6.240 1.00 0.00 H new ATOM 1329 N PHE A 89 1.344 -3.218 3.105 1.00 0.00 N ATOM 1330 CA PHE A 89 0.687 -2.338 2.145 1.00 0.00 C ATOM 1331 C PHE A 89 0.296 -1.016 2.799 1.00 0.00 C ATOM 1332 O PHE A 89 -0.085 -0.978 3.970 1.00 0.00 O ATOM 1333 CB PHE A 89 -0.554 -3.018 1.563 1.00 0.00 C ATOM 1334 CG PHE A 89 -0.236 -4.198 0.690 1.00 0.00 C ATOM 1335 CD1 PHE A 89 0.074 -5.427 1.251 1.00 0.00 C ATOM 1336 CD2 PHE A 89 -0.247 -4.080 -0.690 1.00 0.00 C ATOM 1337 CE1 PHE A 89 0.368 -6.515 0.450 1.00 0.00 C ATOM 1338 CE2 PHE A 89 0.046 -5.164 -1.496 1.00 0.00 C ATOM 1339 CZ PHE A 89 0.352 -6.383 -0.925 1.00 0.00 C ATOM 0 H PHE A 89 0.711 -3.669 3.765 1.00 0.00 H new ATOM 0 HA PHE A 89 1.391 -2.131 1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.197 -3.344 2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.120 -2.289 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.086 -5.536 2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.488 -3.129 -1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.610 -7.467 0.899 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.036 -5.057 -2.571 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.579 -7.232 -1.552 1.00 0.00 H new ATOM 1349 N ARG A 90 0.393 0.067 2.035 1.00 0.00 N ATOM 1350 CA ARG A 90 0.051 1.392 2.540 1.00 0.00 C ATOM 1351 C ARG A 90 -0.555 2.254 1.437 1.00 0.00 C ATOM 1352 O ARG A 90 -0.116 2.210 0.288 1.00 0.00 O ATOM 1353 CB ARG A 90 1.292 2.078 3.114 1.00 0.00 C ATOM 1354 CG ARG A 90 2.346 2.405 2.069 1.00 0.00 C ATOM 1355 CD ARG A 90 3.451 3.276 2.646 1.00 0.00 C ATOM 1356 NE ARG A 90 4.362 2.512 3.495 1.00 0.00 N ATOM 1357 CZ ARG A 90 5.567 2.943 3.854 1.00 0.00 C ATOM 1358 NH1 ARG A 90 6.003 4.124 3.440 1.00 0.00 N ATOM 1359 NH2 ARG A 90 6.338 2.191 4.629 1.00 0.00 N ATOM 0 H ARG A 90 0.706 0.053 1.064 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.689 1.272 3.332 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.990 2.999 3.613 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.734 1.434 3.874 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.775 1.481 1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.879 2.917 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.013 3.735 1.833 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.009 4.086 3.226 1.00 0.00 H new ATOM 0 HE ARG A 90 4.057 1.598 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.413 4.705 2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.928 4.452 3.717 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.006 1.281 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.263 2.523 4.904 1.00 0.00 H new ATOM 1373 N VAL A 91 -1.567 3.038 1.795 1.00 0.00 N ATOM 1374 CA VAL A 91 -2.234 3.911 0.836 1.00 0.00 C ATOM 1375 C VAL A 91 -1.876 5.373 1.083 1.00 0.00 C ATOM 1376 O VAL A 91 -1.615 5.776 2.216 1.00 0.00 O ATOM 1377 CB VAL A 91 -3.764 3.751 0.900 1.00 0.00 C ATOM 1378 CG1 VAL A 91 -4.447 4.768 -0.001 1.00 0.00 C ATOM 1379 CG2 VAL A 91 -4.167 2.334 0.520 1.00 0.00 C ATOM 0 H VAL A 91 -1.943 3.087 2.742 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.887 3.617 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.088 3.935 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.528 4.639 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.184 5.775 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.120 4.620 -1.030 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.252 2.238 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.831 2.120 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.708 1.627 1.211 1.00 0.00 H new ATOM 1389 N VAL A 92 -1.867 6.162 0.013 1.00 0.00 N ATOM 1390 CA VAL A 92 -1.543 7.580 0.113 1.00 0.00 C ATOM 1391 C VAL A 92 -2.264 8.386 -0.962 1.00 0.00 C ATOM 1392 O VAL A 92 -2.345 7.967 -2.116 1.00 0.00 O ATOM 1393 CB VAL A 92 -0.027 7.820 -0.011 1.00 0.00 C ATOM 1394 CG1 VAL A 92 0.303 9.287 0.221 1.00 0.00 C ATOM 1395 CG2 VAL A 92 0.734 6.933 0.962 1.00 0.00 C ATOM 0 H VAL A 92 -2.080 5.843 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.876 7.912 1.096 1.00 0.00 H new ATOM 0 HB VAL A 92 0.283 7.559 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.379 9.437 0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.213 9.898 -0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.020 9.579 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.804 7.116 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.422 7.160 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.522 5.887 0.742 1.00 0.00 H new ATOM 1405 N ALA A 93 -2.785 9.545 -0.575 1.00 0.00 N ATOM 1406 CA ALA A 93 -3.497 10.412 -1.506 1.00 0.00 C ATOM 1407 C ALA A 93 -2.570 11.473 -2.087 1.00 0.00 C ATOM 1408 O ALA A 93 -1.975 12.262 -1.352 1.00 0.00 O ATOM 1409 CB ALA A 93 -4.685 11.066 -0.815 1.00 0.00 C ATOM 0 H ALA A 93 -2.728 9.906 0.377 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.863 9.798 -2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.207 11.711 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.366 10.295 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.333 11.661 0.028 1.00 0.00 H new ATOM 1415 N TYR A 94 -2.450 11.487 -3.410 1.00 0.00 N ATOM 1416 CA TYR A 94 -1.592 12.450 -4.090 1.00 0.00 C ATOM 1417 C TYR A 94 -2.423 13.477 -4.852 1.00 0.00 C ATOM 1418 O TYR A 94 -2.919 13.203 -5.944 1.00 0.00 O ATOM 1419 CB TYR A 94 -0.643 11.731 -5.050 1.00 0.00 C ATOM 1420 CG TYR A 94 0.642 11.271 -4.400 1.00 0.00 C ATOM 1421 CD1 TYR A 94 1.746 12.111 -4.325 1.00 0.00 C ATOM 1422 CD2 TYR A 94 0.752 9.995 -3.859 1.00 0.00 C ATOM 1423 CE1 TYR A 94 2.922 11.694 -3.733 1.00 0.00 C ATOM 1424 CE2 TYR A 94 1.924 9.570 -3.264 1.00 0.00 C ATOM 1425 CZ TYR A 94 3.007 10.423 -3.204 1.00 0.00 C ATOM 1426 OH TYR A 94 4.176 10.005 -2.612 1.00 0.00 O ATOM 0 H TYR A 94 -2.936 10.842 -4.033 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.006 12.973 -3.334 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.155 10.867 -5.475 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.403 12.398 -5.878 1.00 0.00 H new ATOM 0 HD1 TYR A 94 1.684 13.107 -4.737 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.093 9.325 -3.905 1.00 0.00 H new ATOM 0 HE1 TYR A 94 3.771 12.360 -3.684 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.992 8.576 -2.848 1.00 0.00 H new ATOM 0 HH TYR A 94 4.069 9.086 -2.290 1.00 0.00 H new ATOM 1436 N ASN A 95 -2.569 14.662 -4.268 1.00 0.00 N ATOM 1437 CA ASN A 95 -3.339 15.732 -4.892 1.00 0.00 C ATOM 1438 C ASN A 95 -2.417 16.805 -5.462 1.00 0.00 C ATOM 1439 O ASN A 95 -1.195 16.660 -5.444 1.00 0.00 O ATOM 1440 CB ASN A 95 -4.300 16.355 -3.877 1.00 0.00 C ATOM 1441 CG ASN A 95 -3.587 17.247 -2.879 1.00 0.00 C ATOM 1442 OD1 ASN A 95 -2.439 16.995 -2.513 1.00 0.00 O ATOM 1443 ND2 ASN A 95 -4.267 18.297 -2.433 1.00 0.00 N ATOM 0 H ASN A 95 -2.164 14.905 -3.364 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.915 15.302 -5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.055 16.937 -4.405 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.824 15.562 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.840 18.933 -1.760 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.217 18.468 -2.764 1.00 0.00 H new ATOM 1450 N GLU A 96 -3.012 17.882 -5.966 1.00 0.00 N ATOM 1451 CA GLU A 96 -2.243 18.980 -6.541 1.00 0.00 C ATOM 1452 C GLU A 96 -0.978 19.242 -5.730 1.00 0.00 C ATOM 1453 O GLU A 96 0.134 18.996 -6.198 1.00 0.00 O ATOM 1454 CB GLU A 96 -3.094 20.250 -6.604 1.00 0.00 C ATOM 1455 CG GLU A 96 -2.628 21.244 -7.654 1.00 0.00 C ATOM 1456 CD GLU A 96 -2.248 20.576 -8.961 1.00 0.00 C ATOM 1457 OE1 GLU A 96 -1.093 20.114 -9.077 1.00 0.00 O ATOM 1458 OE2 GLU A 96 -3.104 20.515 -9.869 1.00 0.00 O ATOM 0 H GLU A 96 -4.023 18.018 -5.988 1.00 0.00 H new ATOM 0 HA GLU A 96 -1.953 18.695 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.128 19.974 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.082 20.734 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -3.420 21.970 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -1.771 21.797 -7.270 1.00 0.00 H new ATOM 1465 N TRP A 97 -1.156 19.742 -4.513 1.00 0.00 N ATOM 1466 CA TRP A 97 -0.028 20.038 -3.636 1.00 0.00 C ATOM 1467 C TRP A 97 0.922 18.849 -3.551 1.00 0.00 C ATOM 1468 O TRP A 97 2.100 18.959 -3.889 1.00 0.00 O ATOM 1469 CB TRP A 97 -0.527 20.409 -2.238 1.00 0.00 C ATOM 1470 CG TRP A 97 -1.553 21.501 -2.244 1.00 0.00 C ATOM 1471 CD1 TRP A 97 -2.771 21.484 -1.628 1.00 0.00 C ATOM 1472 CD2 TRP A 97 -1.450 22.770 -2.899 1.00 0.00 C ATOM 1473 NE1 TRP A 97 -3.432 22.667 -1.860 1.00 0.00 N ATOM 1474 CE2 TRP A 97 -2.642 23.473 -2.636 1.00 0.00 C ATOM 1475 CE3 TRP A 97 -0.465 23.383 -3.679 1.00 0.00 C ATOM 1476 CZ2 TRP A 97 -2.875 24.754 -3.129 1.00 0.00 C ATOM 1477 CZ3 TRP A 97 -0.698 24.654 -4.167 1.00 0.00 C ATOM 1478 CH2 TRP A 97 -1.894 25.329 -3.890 1.00 0.00 C ATOM 0 H TRP A 97 -2.070 19.951 -4.111 1.00 0.00 H new ATOM 0 HA TRP A 97 0.516 20.884 -4.057 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.952 19.524 -1.765 1.00 0.00 H new ATOM 0 HB3 TRP A 97 0.321 20.720 -1.628 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -3.158 20.662 -1.044 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -4.360 22.906 -1.511 1.00 0.00 H new ATOM 0 HE3 TRP A 97 0.461 22.872 -3.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -3.797 25.275 -2.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.055 25.136 -4.773 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.045 26.323 -4.285 1.00 0.00 H new ATOM 1489 N GLY A 98 0.403 17.712 -3.098 1.00 0.00 N ATOM 1490 CA GLY A 98 1.221 16.519 -2.978 1.00 0.00 C ATOM 1491 C GLY A 98 0.608 15.487 -2.052 1.00 0.00 C ATOM 1492 O GLY A 98 -0.585 15.524 -1.749 1.00 0.00 O ATOM 0 H GLY A 98 -0.569 17.596 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.363 16.079 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.208 16.795 -2.607 1.00 0.00 H new ATOM 1496 N PRO A 99 1.434 14.538 -1.588 1.00 0.00 N ATOM 1497 CA PRO A 99 0.988 13.473 -0.685 1.00 0.00 C ATOM 1498 C PRO A 99 0.648 13.996 0.706 1.00 0.00 C ATOM 1499 O PRO A 99 1.527 14.435 1.447 1.00 0.00 O ATOM 1500 CB PRO A 99 2.195 12.532 -0.623 1.00 0.00 C ATOM 1501 CG PRO A 99 3.366 13.398 -0.937 1.00 0.00 C ATOM 1502 CD PRO A 99 2.868 14.433 -1.907 1.00 0.00 C ATOM 0 HA PRO A 99 0.075 12.995 -1.039 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.292 12.077 0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.100 11.718 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.758 13.866 -0.034 1.00 0.00 H new ATOM 0 HG3 PRO A 99 4.177 12.814 -1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.380 15.386 -1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 99 3.028 14.125 -2.940 1.00 0.00 H new ATOM 1510 N GLY A 100 -0.634 13.946 1.056 1.00 0.00 N ATOM 1511 CA GLY A 100 -1.066 14.418 2.358 1.00 0.00 C ATOM 1512 C GLY A 100 -0.852 13.387 3.449 1.00 0.00 C ATOM 1513 O GLY A 100 -0.043 12.473 3.297 1.00 0.00 O ATOM 0 H GLY A 100 -1.381 13.587 0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.521 15.328 2.610 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.123 14.681 2.313 1.00 0.00 H new ATOM 1517 N GLU A 101 -1.579 13.536 4.552 1.00 0.00 N ATOM 1518 CA GLU A 101 -1.462 12.611 5.674 1.00 0.00 C ATOM 1519 C GLU A 101 -1.537 11.164 5.195 1.00 0.00 C ATOM 1520 O GLU A 101 -2.461 10.785 4.476 1.00 0.00 O ATOM 1521 CB GLU A 101 -2.563 12.879 6.701 1.00 0.00 C ATOM 1522 CG GLU A 101 -2.190 13.929 7.734 1.00 0.00 C ATOM 1523 CD GLU A 101 -1.736 15.231 7.105 1.00 0.00 C ATOM 1524 OE1 GLU A 101 -2.555 15.875 6.415 1.00 0.00 O ATOM 1525 OE2 GLU A 101 -0.562 15.608 7.302 1.00 0.00 O ATOM 0 H GLU A 101 -2.254 14.287 4.693 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.492 12.770 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.465 13.199 6.179 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.805 11.948 7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.048 14.121 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.395 13.541 8.370 1.00 0.00 H new ATOM 1532 N SER A 102 -0.558 10.361 5.600 1.00 0.00 N ATOM 1533 CA SER A 102 -0.511 8.957 5.210 1.00 0.00 C ATOM 1534 C SER A 102 -1.281 8.091 6.202 1.00 0.00 C ATOM 1535 O SER A 102 -1.372 8.415 7.386 1.00 0.00 O ATOM 1536 CB SER A 102 0.940 8.480 5.119 1.00 0.00 C ATOM 1537 OG SER A 102 1.528 8.386 6.405 1.00 0.00 O ATOM 0 H SER A 102 0.213 10.659 6.198 1.00 0.00 H new ATOM 0 HA SER A 102 -0.980 8.862 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.976 7.508 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.515 9.171 4.502 1.00 0.00 H new ATOM 0 HG SER A 102 2.454 8.078 6.319 1.00 0.00 H new ATOM 1543 N SER A 103 -1.836 6.989 5.709 1.00 0.00 N ATOM 1544 CA SER A 103 -2.603 6.077 6.550 1.00 0.00 C ATOM 1545 C SER A 103 -1.678 5.121 7.298 1.00 0.00 C ATOM 1546 O SER A 103 -0.463 5.136 7.102 1.00 0.00 O ATOM 1547 CB SER A 103 -3.598 5.282 5.702 1.00 0.00 C ATOM 1548 OG SER A 103 -2.965 4.186 5.066 1.00 0.00 O ATOM 0 H SER A 103 -1.769 6.706 4.731 1.00 0.00 H new ATOM 0 HA SER A 103 -3.152 6.671 7.281 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.411 4.921 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.043 5.935 4.951 1.00 0.00 H new ATOM 0 HG SER A 103 -3.623 3.693 4.532 1.00 0.00 H new ATOM 1554 N GLN A 104 -2.264 4.292 8.156 1.00 0.00 N ATOM 1555 CA GLN A 104 -1.493 3.330 8.935 1.00 0.00 C ATOM 1556 C GLN A 104 -1.143 2.106 8.095 1.00 0.00 C ATOM 1557 O GLN A 104 -1.960 1.592 7.331 1.00 0.00 O ATOM 1558 CB GLN A 104 -2.277 2.903 10.177 1.00 0.00 C ATOM 1559 CG GLN A 104 -1.399 2.368 11.297 1.00 0.00 C ATOM 1560 CD GLN A 104 -2.192 1.996 12.534 1.00 0.00 C ATOM 1561 OE1 GLN A 104 -3.411 1.829 12.477 1.00 0.00 O ATOM 1562 NE2 GLN A 104 -1.503 1.864 13.662 1.00 0.00 N ATOM 0 H GLN A 104 -3.269 4.267 8.329 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.566 3.812 9.247 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -2.846 3.756 10.548 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -2.999 2.137 9.895 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.856 1.492 10.941 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -0.654 3.119 11.560 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -0.494 2.012 13.663 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.983 1.615 14.527 1.00 0.00 H new ATOM 1571 N PRO A 105 0.102 1.627 8.238 1.00 0.00 N ATOM 1572 CA PRO A 105 0.589 0.457 7.500 1.00 0.00 C ATOM 1573 C PRO A 105 -0.068 -0.837 7.966 1.00 0.00 C ATOM 1574 O PRO A 105 -0.127 -1.118 9.164 1.00 0.00 O ATOM 1575 CB PRO A 105 2.088 0.439 7.814 1.00 0.00 C ATOM 1576 CG PRO A 105 2.209 1.143 9.121 1.00 0.00 C ATOM 1577 CD PRO A 105 1.129 2.189 9.131 1.00 0.00 C ATOM 0 HA PRO A 105 0.363 0.523 6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.467 -0.581 7.877 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.661 0.945 7.037 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.086 0.448 9.951 1.00 0.00 H new ATOM 0 HG3 PRO A 105 3.194 1.598 9.229 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.740 2.356 10.136 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.496 3.149 8.768 1.00 0.00 H new ATOM 1585 N ILE A 106 -0.559 -1.622 7.013 1.00 0.00 N ATOM 1586 CA ILE A 106 -1.211 -2.888 7.327 1.00 0.00 C ATOM 1587 C ILE A 106 -0.362 -4.070 6.872 1.00 0.00 C ATOM 1588 O ILE A 106 0.347 -3.991 5.869 1.00 0.00 O ATOM 1589 CB ILE A 106 -2.600 -2.984 6.669 1.00 0.00 C ATOM 1590 CG1 ILE A 106 -2.470 -2.949 5.145 1.00 0.00 C ATOM 1591 CG2 ILE A 106 -3.496 -1.855 7.156 1.00 0.00 C ATOM 1592 CD1 ILE A 106 -3.628 -3.605 4.425 1.00 0.00 C ATOM 0 H ILE A 106 -0.518 -1.404 6.017 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.328 -2.923 8.410 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.056 -3.932 6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -2.390 -1.912 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.544 -3.446 4.856 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.474 -1.936 6.682 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.610 -1.922 8.238 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -3.046 -0.896 6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.469 -3.543 3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.696 -4.651 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.555 -3.093 4.685 1.00 0.00 H new ATOM 1604 N LYS A 107 -0.441 -5.168 7.616 1.00 0.00 N ATOM 1605 CA LYS A 107 0.316 -6.371 7.289 1.00 0.00 C ATOM 1606 C LYS A 107 -0.613 -7.494 6.842 1.00 0.00 C ATOM 1607 O LYS A 107 -1.324 -8.086 7.654 1.00 0.00 O ATOM 1608 CB LYS A 107 1.138 -6.825 8.498 1.00 0.00 C ATOM 1609 CG LYS A 107 2.456 -6.084 8.650 1.00 0.00 C ATOM 1610 CD LYS A 107 3.362 -6.762 9.665 1.00 0.00 C ATOM 1611 CE LYS A 107 4.830 -6.529 9.344 1.00 0.00 C ATOM 1612 NZ LYS A 107 5.159 -6.912 7.943 1.00 0.00 N ATOM 0 H LYS A 107 -1.022 -5.250 8.450 1.00 0.00 H new ATOM 0 HA LYS A 107 0.991 -6.133 6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.546 -6.686 9.402 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.339 -7.893 8.410 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.961 -6.036 7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.264 -5.057 8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.142 -6.382 10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.157 -7.832 9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.073 -5.478 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.448 -7.105 10.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.986 -7.543 7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.347 -7.403 7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 5.374 -6.057 7.391 1.00 0.00 H new ATOM 1626 N VAL A 108 -0.600 -7.785 5.545 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.440 -8.840 4.990 1.00 0.00 C ATOM 1628 C VAL A 108 -0.595 -9.985 4.442 1.00 0.00 C ATOM 1629 O VAL A 108 0.297 -9.774 3.621 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.346 -8.303 3.866 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -3.276 -9.396 3.362 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.139 -7.099 4.351 1.00 0.00 C ATOM 0 H VAL A 108 -0.017 -7.305 4.859 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.063 -9.209 5.805 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.716 -7.984 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.908 -8.998 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.685 -10.226 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.902 -9.748 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.774 -6.732 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.760 -7.390 5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.452 -6.311 4.659 1.00 0.00 H new ATOM 1642 N ALA A 109 -0.881 -11.198 4.903 1.00 0.00 N ATOM 1643 CA ALA A 109 -0.149 -12.377 4.458 1.00 0.00 C ATOM 1644 C ALA A 109 -0.877 -13.076 3.315 1.00 0.00 C ATOM 1645 O ALA A 109 -2.004 -13.547 3.478 1.00 0.00 O ATOM 1646 CB ALA A 109 0.060 -13.337 5.619 1.00 0.00 C ATOM 0 H ALA A 109 -1.615 -11.390 5.585 1.00 0.00 H new ATOM 0 HA ALA A 109 0.824 -12.053 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.608 -14.213 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.630 -12.840 6.404 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.908 -13.647 6.014 1.00 0.00 H new ATOM 1652 N THR A 110 -0.227 -13.141 2.157 1.00 0.00 N ATOM 1653 CA THR A 110 -0.813 -13.781 0.987 1.00 0.00 C ATOM 1654 C THR A 110 -1.397 -15.145 1.340 1.00 0.00 C ATOM 1655 O THR A 110 -1.168 -15.663 2.432 1.00 0.00 O ATOM 1656 CB THR A 110 0.225 -13.956 -0.137 1.00 0.00 C ATOM 1657 OG1 THR A 110 1.496 -14.307 0.420 1.00 0.00 O ATOM 1658 CG2 THR A 110 0.359 -12.679 -0.953 1.00 0.00 C ATOM 0 H THR A 110 0.706 -12.758 2.005 1.00 0.00 H new ATOM 0 HA THR A 110 -1.611 -13.127 0.636 1.00 0.00 H new ATOM 0 HB THR A 110 -0.116 -14.755 -0.795 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.180 -14.279 -0.282 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.098 -12.827 -1.741 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.604 -12.430 -1.400 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.679 -11.864 -0.304 1.00 0.00 H new ATOM 1666 N GLN A 111 -2.151 -15.720 0.409 1.00 0.00 N ATOM 1667 CA GLN A 111 -2.767 -17.024 0.623 1.00 0.00 C ATOM 1668 C GLN A 111 -1.796 -18.148 0.278 1.00 0.00 C ATOM 1669 O GLN A 111 -0.912 -18.000 -0.566 1.00 0.00 O ATOM 1670 CB GLN A 111 -4.038 -17.155 -0.218 1.00 0.00 C ATOM 1671 CG GLN A 111 -5.079 -16.089 0.082 1.00 0.00 C ATOM 1672 CD GLN A 111 -6.476 -16.503 -0.336 1.00 0.00 C ATOM 1673 OE1 GLN A 111 -6.674 -17.057 -1.418 1.00 0.00 O ATOM 1674 NE2 GLN A 111 -7.455 -16.237 0.521 1.00 0.00 N ATOM 0 H GLN A 111 -2.350 -15.304 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.028 -17.106 1.678 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -3.772 -17.104 -1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.477 -18.138 -0.047 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -5.073 -15.871 1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -4.808 -15.167 -0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -7.246 -15.776 1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -8.416 -16.493 0.293 1.00 0.00 H new ATOM 1683 N PRO A 112 -1.962 -19.299 0.946 1.00 0.00 N ATOM 1684 CA PRO A 112 -1.109 -20.472 0.726 1.00 0.00 C ATOM 1685 C PRO A 112 -1.346 -21.114 -0.637 1.00 0.00 C ATOM 1686 O PRO A 112 -2.456 -21.546 -0.944 1.00 0.00 O ATOM 1687 CB PRO A 112 -1.525 -21.428 1.847 1.00 0.00 C ATOM 1688 CG PRO A 112 -2.921 -21.032 2.184 1.00 0.00 C ATOM 1689 CD PRO A 112 -2.995 -19.546 1.966 1.00 0.00 C ATOM 0 HA PRO A 112 -0.050 -20.214 0.738 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.476 -22.467 1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -0.867 -21.335 2.711 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -3.638 -21.555 1.552 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -3.160 -21.287 3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -3.982 -19.239 1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.793 -18.995 2.884 1.00 0.00 H new