USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 973 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 116 GLN : amide:sc=-0.00301 K(o=0.038,f=-1.2) USER MOD Set 1.2: A 118 THR OG1 : rot 180:sc= 0.0408 USER MOD Set 2.1: A 77 GLN : amide:sc= -12.2! C(o=-11!,f=-13!) USER MOD Set 2.2: A 115 SER OG : rot -50:sc= 1.3 USER MOD Single : A 15 GLN : amide:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.889 X(o=-0.89,f=-1.2) USER MOD Single : A 27 HIS : no HD1:sc= -7.01! C(o=-7!,f=-6.6!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -151:sc= -0.0568 (180deg=-0.838) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -151:sc= -0.434 (180deg=-1.77!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.0884 K(o=-0.088,f=-1.7!) USER MOD Single : A 49 LYS NZ :NH3+ 139:sc= -1.5 (180deg=-3.8!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0377 USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= -3.53! (180deg=-5.71!) USER MOD Single : A 57 HIS : no HD1:sc= -8.3! C(o=-8.3!,f=-11!) USER MOD Single : A 59 ASN :FLIP amide:sc= 0.111 F(o=-1.4!,f=0.11) USER MOD Single : A 60 MET CE :methyl 160:sc= -4.32 (180deg=-5.69!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00238 X(o=-0.0024,f=-0.04) USER MOD Single : A 74 ASN : amide:sc= -0.0406 K(o=-0.041,f=-4!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.613 F(o=-1.8!,f=-0.61) USER MOD Single : A 86 HIS : no HD1:sc= -7.54! C(o=-7.5!,f=-9.2!) USER MOD Single : A 87 SER OG : rot -81:sc= 0.0943 USER MOD Single : A 88 MET CE :methyl -146:sc= -0.751 (180deg=-1.81!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0044 USER MOD Single : A 96 SER OG : rot 180:sc= -0.0297 USER MOD Single : A 99 TYR OH : rot 173:sc= 1.09 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 127:sc= 0.999 USER MOD Single : A 111 MET CE :methyl -122:sc= -3.4! (180deg=-6.87!) USER MOD Single : A 113 TYR OH : rot 40:sc= 1.05 USER MOD Single : B 339 THR OG1 : rot 70:sc= -0.0413 USER MOD Single : B 340 HIS : no HD1:sc= -0.0443 X(o=-0.044,f=-0.16) USER MOD Single : B 342 SER OG : rot 180:sc= 0 USER MOD Single : B 343 SER OG : rot 180:sc= 0 USER MOD Single : B 344 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 13 -0.553 -17.572 -2.806 1.00 41.44 N ATOM 222 CA PHE A 13 0.600 -16.931 -2.197 1.00 63.33 C ATOM 223 C PHE A 13 1.879 -17.247 -2.975 1.00 44.41 C ATOM 224 O PHE A 13 2.558 -16.341 -3.456 1.00 20.03 O ATOM 225 CB PHE A 13 0.728 -17.495 -0.780 1.00 2.14 C ATOM 226 CG PHE A 13 1.327 -16.513 0.228 1.00 71.11 C ATOM 227 CD1 PHE A 13 0.919 -15.215 0.239 1.00 23.23 C ATOM 228 CD2 PHE A 13 2.267 -16.937 1.115 1.00 5.52 C ATOM 229 CE1 PHE A 13 1.475 -14.303 1.175 1.00 5.13 C ATOM 230 CE2 PHE A 13 2.823 -16.024 2.051 1.00 33.33 C ATOM 231 CZ PHE A 13 2.415 -14.727 2.061 1.00 61.43 C ATOM 0 HA PHE A 13 0.466 -15.849 -2.195 1.00 63.33 H new ATOM 0 HB2 PHE A 13 -0.258 -17.801 -0.431 1.00 2.14 H new ATOM 0 HB3 PHE A 13 1.348 -18.391 -0.811 1.00 2.14 H new ATOM 0 HD1 PHE A 13 0.172 -14.878 -0.464 1.00 23.23 H new ATOM 0 HD2 PHE A 13 2.591 -17.967 1.108 1.00 5.52 H new ATOM 0 HE1 PHE A 13 1.151 -13.273 1.183 1.00 5.13 H new ATOM 0 HE2 PHE A 13 3.570 -16.360 2.755 1.00 33.33 H new ATOM 0 HZ PHE A 13 2.838 -14.034 2.773 1.00 61.43 H new ATOM 241 N GLU A 14 2.168 -18.536 -3.078 1.00 55.44 N ATOM 242 CA GLU A 14 3.353 -18.984 -3.790 1.00 2.44 C ATOM 243 C GLU A 14 3.389 -18.375 -5.193 1.00 21.01 C ATOM 244 O GLU A 14 4.444 -18.322 -5.824 1.00 32.24 O ATOM 245 CB GLU A 14 3.412 -20.511 -3.853 1.00 3.33 C ATOM 246 CG GLU A 14 4.846 -21.013 -3.676 1.00 34.15 C ATOM 247 CD GLU A 14 5.137 -22.186 -4.613 1.00 72.44 C ATOM 248 OE1 GLU A 14 5.207 -21.999 -5.837 1.00 44.41 O ATOM 249 OE2 GLU A 14 5.293 -23.325 -4.029 1.00 21.22 O ATOM 0 H GLU A 14 1.601 -19.285 -2.680 1.00 55.44 H new ATOM 0 HA GLU A 14 4.232 -18.643 -3.243 1.00 2.44 H new ATOM 0 HB2 GLU A 14 2.776 -20.935 -3.076 1.00 3.33 H new ATOM 0 HB3 GLU A 14 3.018 -20.854 -4.810 1.00 3.33 H new ATOM 0 HG2 GLU A 14 5.546 -20.202 -3.875 1.00 34.15 H new ATOM 0 HG3 GLU A 14 5.002 -21.322 -2.642 1.00 34.15 H new ATOM 257 N GLN A 15 2.224 -17.931 -5.641 1.00 45.15 N ATOM 258 CA GLN A 15 2.109 -17.328 -6.959 1.00 41.13 C ATOM 259 C GLN A 15 2.677 -15.908 -6.944 1.00 53.54 C ATOM 260 O GLN A 15 3.362 -15.500 -7.881 1.00 72.22 O ATOM 261 CB GLN A 15 0.657 -17.334 -7.439 1.00 53.44 C ATOM 262 CG GLN A 15 0.584 -17.337 -8.967 1.00 54.20 C ATOM 263 CD GLN A 15 -0.682 -16.634 -9.459 1.00 14.33 C ATOM 264 OE1 GLN A 15 -1.798 -17.044 -9.184 1.00 75.04 O ATOM 265 NE2 GLN A 15 -0.448 -15.553 -10.199 1.00 10.33 N ATOM 0 H GLN A 15 1.351 -17.977 -5.115 1.00 45.15 H new ATOM 0 HA GLN A 15 2.692 -17.923 -7.662 1.00 41.13 H new ATOM 0 HB2 GLN A 15 0.144 -18.211 -7.045 1.00 53.44 H new ATOM 0 HB3 GLN A 15 0.138 -16.459 -7.048 1.00 53.44 H new ATOM 0 HG2 GLN A 15 1.463 -16.839 -9.377 1.00 54.20 H new ATOM 0 HG3 GLN A 15 0.599 -18.364 -9.333 1.00 54.20 H new ATOM 0 HE21 GLN A 15 0.511 -15.265 -10.391 1.00 10.33 H new ATOM 0 HE22 GLN A 15 -1.228 -15.013 -10.574 1.00 10.33 H new ATOM 274 N ARG A 16 2.371 -15.194 -5.872 1.00 3.03 N ATOM 275 CA ARG A 16 2.843 -13.828 -5.722 1.00 14.35 C ATOM 276 C ARG A 16 4.298 -13.816 -5.253 1.00 53.10 C ATOM 277 O ARG A 16 5.136 -13.124 -5.829 1.00 3.11 O ATOM 278 CB ARG A 16 1.983 -13.055 -4.719 1.00 24.11 C ATOM 279 CG ARG A 16 0.906 -12.237 -5.435 1.00 72.42 C ATOM 280 CD ARG A 16 0.026 -13.135 -6.307 1.00 11.40 C ATOM 281 NE ARG A 16 -1.011 -12.324 -6.983 1.00 51.11 N ATOM 282 CZ ARG A 16 -0.841 -11.723 -8.180 1.00 12.01 C ATOM 283 NH1 ARG A 16 0.330 -11.838 -8.844 1.00 15.11 N ATOM 284 NH2 ARG A 16 -1.835 -11.022 -8.692 1.00 73.11 N ATOM 0 H ARG A 16 1.801 -15.536 -5.098 1.00 3.03 H new ATOM 0 HA ARG A 16 2.769 -13.344 -6.696 1.00 14.35 H new ATOM 0 HB2 ARG A 16 1.514 -13.752 -4.024 1.00 24.11 H new ATOM 0 HB3 ARG A 16 2.615 -12.392 -4.128 1.00 24.11 H new ATOM 0 HG2 ARG A 16 0.289 -11.719 -4.701 1.00 72.42 H new ATOM 0 HG3 ARG A 16 1.376 -11.472 -6.053 1.00 72.42 H new ATOM 0 HD2 ARG A 16 0.638 -13.649 -7.048 1.00 11.40 H new ATOM 0 HD3 ARG A 16 -0.444 -13.904 -5.694 1.00 11.40 H new ATOM 0 HE ARG A 16 -1.911 -12.212 -6.515 1.00 51.11 H new ATOM 0 HH11 ARG A 16 1.093 -12.382 -8.441 1.00 15.11 H new ATOM 0 HH12 ARG A 16 0.451 -11.381 -9.748 1.00 15.11 H new ATOM 0 HH21 ARG A 16 -2.716 -10.940 -8.184 1.00 73.11 H new ATOM 0 HH22 ARG A 16 -1.722 -10.562 -9.595 1.00 73.11 H new ATOM 297 N VAL A 17 4.556 -14.591 -4.209 1.00 23.21 N ATOM 298 CA VAL A 17 5.896 -14.679 -3.654 1.00 72.24 C ATOM 299 C VAL A 17 6.908 -14.802 -4.795 1.00 12.31 C ATOM 300 O VAL A 17 7.969 -14.182 -4.757 1.00 41.11 O ATOM 301 CB VAL A 17 5.975 -15.837 -2.657 1.00 61.12 C ATOM 302 CG1 VAL A 17 4.765 -15.838 -1.721 1.00 70.24 C ATOM 303 CG2 VAL A 17 6.107 -17.177 -3.383 1.00 4.10 C ATOM 0 H VAL A 17 3.859 -15.164 -3.733 1.00 23.21 H new ATOM 0 HA VAL A 17 6.140 -13.773 -3.099 1.00 72.24 H new ATOM 0 HB VAL A 17 6.869 -15.695 -2.049 1.00 61.12 H new ATOM 0 HG11 VAL A 17 4.846 -16.671 -1.023 1.00 70.24 H new ATOM 0 HG12 VAL A 17 4.734 -14.901 -1.166 1.00 70.24 H new ATOM 0 HG13 VAL A 17 3.852 -15.943 -2.307 1.00 70.24 H new ATOM 0 HG21 VAL A 17 6.161 -17.983 -2.652 1.00 4.10 H new ATOM 0 HG22 VAL A 17 5.241 -17.329 -4.027 1.00 4.10 H new ATOM 0 HG23 VAL A 17 7.013 -17.175 -3.989 1.00 4.10 H new ATOM 313 N GLU A 18 6.543 -15.607 -5.783 1.00 25.41 N ATOM 314 CA GLU A 18 7.406 -15.819 -6.932 1.00 5.04 C ATOM 315 C GLU A 18 7.592 -14.511 -7.705 1.00 14.13 C ATOM 316 O GLU A 18 8.707 -14.174 -8.101 1.00 42.13 O ATOM 317 CB GLU A 18 6.849 -16.917 -7.840 1.00 74.55 C ATOM 318 CG GLU A 18 7.664 -17.028 -9.130 1.00 43.23 C ATOM 319 CD GLU A 18 9.043 -17.633 -8.858 1.00 34.23 C ATOM 320 OE1 GLU A 18 10.011 -16.892 -8.630 1.00 42.32 O ATOM 321 OE2 GLU A 18 9.090 -18.922 -8.887 1.00 63.31 O ATOM 0 H GLU A 18 5.662 -16.120 -5.811 1.00 25.41 H new ATOM 0 HA GLU A 18 8.381 -16.149 -6.574 1.00 5.04 H new ATOM 0 HB2 GLU A 18 6.863 -17.871 -7.313 1.00 74.55 H new ATOM 0 HB3 GLU A 18 5.808 -16.701 -8.081 1.00 74.55 H new ATOM 0 HG2 GLU A 18 7.128 -17.645 -9.851 1.00 43.23 H new ATOM 0 HG3 GLU A 18 7.778 -16.041 -9.578 1.00 43.23 H new ATOM 329 N ASP A 19 6.485 -13.811 -7.896 1.00 32.14 N ATOM 330 CA ASP A 19 6.511 -12.549 -8.615 1.00 24.24 C ATOM 331 C ASP A 19 7.543 -11.621 -7.968 1.00 51.31 C ATOM 332 O ASP A 19 8.183 -10.826 -8.653 1.00 42.23 O ATOM 333 CB ASP A 19 5.149 -11.853 -8.558 1.00 51.12 C ATOM 334 CG ASP A 19 4.688 -11.226 -9.875 1.00 40.34 C ATOM 335 OD1 ASP A 19 5.470 -11.096 -10.829 1.00 21.13 O ATOM 336 OD2 ASP A 19 3.451 -10.860 -9.901 1.00 21.13 O ATOM 0 H ASP A 19 5.563 -14.094 -7.565 1.00 32.14 H new ATOM 0 HA ASP A 19 6.765 -12.758 -9.654 1.00 24.24 H new ATOM 0 HB2 ASP A 19 4.401 -12.577 -8.236 1.00 51.12 H new ATOM 0 HB3 ASP A 19 5.187 -11.074 -7.796 1.00 51.12 H new ATOM 342 N VAL A 20 7.671 -11.754 -6.656 1.00 71.23 N ATOM 343 CA VAL A 20 8.613 -10.939 -5.909 1.00 54.42 C ATOM 344 C VAL A 20 10.040 -11.359 -6.268 1.00 35.23 C ATOM 345 O VAL A 20 10.901 -10.512 -6.499 1.00 13.24 O ATOM 346 CB VAL A 20 8.319 -11.037 -4.411 1.00 4.51 C ATOM 347 CG1 VAL A 20 9.580 -10.774 -3.586 1.00 23.14 C ATOM 348 CG2 VAL A 20 7.191 -10.085 -4.009 1.00 35.51 C ATOM 0 H VAL A 20 7.137 -12.415 -6.091 1.00 71.23 H new ATOM 0 HA VAL A 20 8.506 -9.888 -6.178 1.00 54.42 H new ATOM 0 HB VAL A 20 7.988 -12.054 -4.201 1.00 4.51 H new ATOM 0 HG11 VAL A 20 9.343 -10.850 -2.525 1.00 23.14 H new ATOM 0 HG12 VAL A 20 10.342 -11.511 -3.841 1.00 23.14 H new ATOM 0 HG13 VAL A 20 9.955 -9.774 -3.803 1.00 23.14 H new ATOM 0 HG21 VAL A 20 7.003 -10.175 -2.939 1.00 35.51 H new ATOM 0 HG22 VAL A 20 7.480 -9.060 -4.241 1.00 35.51 H new ATOM 0 HG23 VAL A 20 6.286 -10.341 -4.560 1.00 35.51 H new ATOM 358 N ARG A 21 10.247 -12.667 -6.302 1.00 73.35 N ATOM 359 CA ARG A 21 11.555 -13.210 -6.628 1.00 12.33 C ATOM 360 C ARG A 21 12.213 -12.380 -7.733 1.00 3.32 C ATOM 361 O ARG A 21 13.410 -12.105 -7.676 1.00 20.04 O ATOM 362 CB ARG A 21 11.448 -14.666 -7.087 1.00 32.23 C ATOM 363 CG ARG A 21 12.821 -15.339 -7.097 1.00 24.21 C ATOM 364 CD ARG A 21 12.786 -16.644 -7.896 1.00 65.53 C ATOM 365 NE ARG A 21 14.032 -17.409 -7.669 1.00 31.50 N ATOM 366 CZ ARG A 21 14.229 -18.245 -6.627 1.00 64.23 C ATOM 367 NH1 ARG A 21 13.260 -18.431 -5.705 1.00 64.10 N ATOM 368 NH2 ARG A 21 15.382 -18.879 -6.524 1.00 2.31 N ATOM 0 H ARG A 21 9.531 -13.367 -6.109 1.00 73.35 H new ATOM 0 HA ARG A 21 12.166 -13.170 -5.726 1.00 12.33 H new ATOM 0 HB2 ARG A 21 10.776 -15.212 -6.424 1.00 32.23 H new ATOM 0 HB3 ARG A 21 11.012 -14.705 -8.085 1.00 32.23 H new ATOM 0 HG2 ARG A 21 13.558 -14.663 -7.530 1.00 24.21 H new ATOM 0 HG3 ARG A 21 13.138 -15.543 -6.074 1.00 24.21 H new ATOM 0 HD2 ARG A 21 11.924 -17.240 -7.597 1.00 65.53 H new ATOM 0 HD3 ARG A 21 12.671 -16.427 -8.958 1.00 65.53 H new ATOM 0 HE ARG A 21 14.790 -17.298 -8.342 1.00 31.50 H new ATOM 0 HH11 ARG A 21 12.371 -17.938 -5.793 1.00 64.10 H new ATOM 0 HH12 ARG A 21 13.417 -19.064 -4.921 1.00 64.10 H new ATOM 0 HH21 ARG A 21 16.108 -18.734 -7.225 1.00 2.31 H new ATOM 0 HH22 ARG A 21 15.547 -19.514 -5.743 1.00 2.31 H new ATOM 381 N LEU A 22 11.402 -12.007 -8.712 1.00 21.23 N ATOM 382 CA LEU A 22 11.891 -11.215 -9.827 1.00 44.20 C ATOM 383 C LEU A 22 12.260 -9.815 -9.331 1.00 44.01 C ATOM 384 O LEU A 22 13.418 -9.407 -9.414 1.00 64.33 O ATOM 385 CB LEU A 22 10.875 -11.214 -10.970 1.00 45.15 C ATOM 386 CG LEU A 22 10.894 -12.439 -11.887 1.00 0.33 C ATOM 387 CD1 LEU A 22 11.568 -12.114 -13.221 1.00 14.41 C ATOM 388 CD2 LEU A 22 11.547 -13.634 -11.190 1.00 33.03 C ATOM 0 H LEU A 22 10.410 -12.239 -8.756 1.00 21.23 H new ATOM 0 HA LEU A 22 12.799 -11.657 -10.238 1.00 44.20 H new ATOM 0 HB2 LEU A 22 9.877 -11.121 -10.542 1.00 45.15 H new ATOM 0 HB3 LEU A 22 11.045 -10.326 -11.579 1.00 45.15 H new ATOM 0 HG LEU A 22 9.864 -12.718 -12.107 1.00 0.33 H new ATOM 0 HD11 LEU A 22 11.568 -13.001 -13.854 1.00 14.41 H new ATOM 0 HD12 LEU A 22 11.022 -11.313 -13.719 1.00 14.41 H new ATOM 0 HD13 LEU A 22 12.595 -11.796 -13.042 1.00 14.41 H new ATOM 0 HD21 LEU A 22 11.548 -14.492 -11.863 1.00 33.03 H new ATOM 0 HD22 LEU A 22 12.573 -13.382 -10.921 1.00 33.03 H new ATOM 0 HD23 LEU A 22 10.986 -13.881 -10.289 1.00 33.03 H new ATOM 400 N ILE A 23 11.254 -9.118 -8.824 1.00 72.43 N ATOM 401 CA ILE A 23 11.457 -7.773 -8.313 1.00 73.03 C ATOM 402 C ILE A 23 12.692 -7.756 -7.411 1.00 50.41 C ATOM 403 O ILE A 23 13.327 -6.716 -7.241 1.00 52.54 O ATOM 404 CB ILE A 23 10.188 -7.261 -7.629 1.00 1.30 C ATOM 405 CG1 ILE A 23 9.780 -5.894 -8.183 1.00 62.53 C ATOM 406 CG2 ILE A 23 10.356 -7.237 -6.110 1.00 72.53 C ATOM 407 CD1 ILE A 23 9.587 -5.952 -9.700 1.00 24.34 C ATOM 0 H ILE A 23 10.295 -9.460 -8.756 1.00 72.43 H new ATOM 0 HA ILE A 23 11.650 -7.080 -9.132 1.00 73.03 H new ATOM 0 HB ILE A 23 9.376 -7.954 -7.852 1.00 1.30 H new ATOM 0 HG12 ILE A 23 8.856 -5.566 -7.708 1.00 62.53 H new ATOM 0 HG13 ILE A 23 10.544 -5.156 -7.938 1.00 62.53 H new ATOM 0 HG21 ILE A 23 9.440 -6.869 -5.648 1.00 72.53 H new ATOM 0 HG22 ILE A 23 10.564 -8.245 -5.751 1.00 72.53 H new ATOM 0 HG23 ILE A 23 11.184 -6.580 -5.846 1.00 72.53 H new ATOM 0 HD11 ILE A 23 9.297 -4.968 -10.068 1.00 24.34 H new ATOM 0 HD12 ILE A 23 10.520 -6.257 -10.174 1.00 24.34 H new ATOM 0 HD13 ILE A 23 8.806 -6.673 -9.940 1.00 24.34 H new ATOM 419 N ARG A 24 12.994 -8.920 -6.854 1.00 12.34 N ATOM 420 CA ARG A 24 14.142 -9.051 -5.972 1.00 45.23 C ATOM 421 C ARG A 24 15.429 -9.169 -6.790 1.00 1.14 C ATOM 422 O ARG A 24 16.458 -8.605 -6.420 1.00 74.04 O ATOM 423 CB ARG A 24 14.005 -10.280 -5.071 1.00 34.14 C ATOM 424 CG ARG A 24 13.336 -9.916 -3.744 1.00 13.13 C ATOM 425 CD ARG A 24 14.150 -8.861 -2.992 1.00 0.34 C ATOM 426 NE ARG A 24 15.593 -9.176 -3.081 1.00 52.12 N ATOM 427 CZ ARG A 24 16.576 -8.258 -2.967 1.00 54.35 C ATOM 428 NH1 ARG A 24 16.279 -6.957 -2.758 1.00 71.43 N ATOM 429 NH2 ARG A 24 17.832 -8.650 -3.064 1.00 1.01 N ATOM 0 H ARG A 24 12.464 -9.780 -6.996 1.00 12.34 H new ATOM 0 HA ARG A 24 14.185 -8.158 -5.348 1.00 45.23 H new ATOM 0 HB2 ARG A 24 13.419 -11.045 -5.580 1.00 34.14 H new ATOM 0 HB3 ARG A 24 14.990 -10.707 -4.881 1.00 34.14 H new ATOM 0 HG2 ARG A 24 12.330 -9.540 -3.931 1.00 13.13 H new ATOM 0 HG3 ARG A 24 13.233 -10.809 -3.127 1.00 13.13 H new ATOM 0 HD2 ARG A 24 13.958 -7.874 -3.413 1.00 0.34 H new ATOM 0 HD3 ARG A 24 13.841 -8.828 -1.947 1.00 0.34 H new ATOM 0 HE ARG A 24 15.862 -10.147 -3.238 1.00 52.12 H new ATOM 0 HH11 ARG A 24 15.305 -6.661 -2.685 1.00 71.43 H new ATOM 0 HH12 ARG A 24 17.028 -6.270 -2.673 1.00 71.43 H new ATOM 0 HH21 ARG A 24 18.048 -9.634 -3.223 1.00 1.01 H new ATOM 0 HH22 ARG A 24 18.587 -7.969 -2.980 1.00 1.01 H new ATOM 442 N GLU A 25 15.330 -9.904 -7.888 1.00 75.54 N ATOM 443 CA GLU A 25 16.475 -10.102 -8.761 1.00 71.24 C ATOM 444 C GLU A 25 16.533 -8.997 -9.819 1.00 4.54 C ATOM 445 O GLU A 25 17.476 -8.936 -10.607 1.00 51.11 O ATOM 446 CB GLU A 25 16.433 -11.484 -9.416 1.00 21.24 C ATOM 447 CG GLU A 25 15.546 -11.474 -10.663 1.00 65.42 C ATOM 448 CD GLU A 25 15.016 -12.876 -10.970 1.00 43.43 C ATOM 449 OE1 GLU A 25 14.973 -13.280 -12.142 1.00 42.04 O ATOM 450 OE2 GLU A 25 14.641 -13.556 -9.940 1.00 50.21 O ATOM 0 H GLU A 25 14.475 -10.369 -8.193 1.00 75.54 H new ATOM 0 HA GLU A 25 17.381 -10.049 -8.157 1.00 71.24 H new ATOM 0 HB2 GLU A 25 17.443 -11.793 -9.686 1.00 21.24 H new ATOM 0 HB3 GLU A 25 16.056 -12.217 -8.703 1.00 21.24 H new ATOM 0 HG2 GLU A 25 14.710 -10.790 -10.514 1.00 65.42 H new ATOM 0 HG3 GLU A 25 16.115 -11.102 -11.515 1.00 65.42 H new ATOM 458 N GLN A 26 15.514 -8.151 -9.801 1.00 42.22 N ATOM 459 CA GLN A 26 15.438 -7.052 -10.747 1.00 1.04 C ATOM 460 C GLN A 26 15.625 -5.716 -10.026 1.00 74.23 C ATOM 461 O GLN A 26 16.519 -4.942 -10.367 1.00 72.32 O ATOM 462 CB GLN A 26 14.114 -7.079 -11.514 1.00 4.32 C ATOM 463 CG GLN A 26 13.981 -8.366 -12.331 1.00 11.50 C ATOM 464 CD GLN A 26 12.831 -8.261 -13.335 1.00 70.32 C ATOM 465 OE1 GLN A 26 12.156 -7.251 -13.442 1.00 21.42 O ATOM 466 NE2 GLN A 26 12.646 -9.360 -14.063 1.00 14.23 N ATOM 0 H GLN A 26 14.734 -8.205 -9.146 1.00 42.22 H new ATOM 0 HA GLN A 26 16.244 -7.167 -11.472 1.00 1.04 H new ATOM 0 HB2 GLN A 26 13.282 -7.001 -10.814 1.00 4.32 H new ATOM 0 HB3 GLN A 26 14.056 -6.215 -12.177 1.00 4.32 H new ATOM 0 HG2 GLN A 26 14.913 -8.563 -12.860 1.00 11.50 H new ATOM 0 HG3 GLN A 26 13.809 -9.209 -11.662 1.00 11.50 H new ATOM 0 HE21 GLN A 26 13.247 -10.172 -13.923 1.00 14.23 H new ATOM 0 HE22 GLN A 26 11.903 -9.390 -14.761 1.00 14.23 H new ATOM 475 N HIS A 27 14.767 -5.485 -9.043 1.00 51.23 N ATOM 476 CA HIS A 27 14.827 -4.256 -8.270 1.00 52.43 C ATOM 477 C HIS A 27 15.123 -4.584 -6.805 1.00 72.33 C ATOM 478 O HIS A 27 14.213 -4.611 -5.976 1.00 1.33 O ATOM 479 CB HIS A 27 13.545 -3.438 -8.449 1.00 21.24 C ATOM 480 CG HIS A 27 13.153 -3.219 -9.890 1.00 74.33 C ATOM 481 ND1 HIS A 27 13.292 -1.997 -10.527 1.00 31.43 N ATOM 482 CD2 HIS A 27 12.627 -4.076 -10.811 1.00 21.41 C ATOM 483 CE1 HIS A 27 12.865 -2.126 -11.774 1.00 74.54 C ATOM 484 NE2 HIS A 27 12.451 -3.414 -11.948 1.00 22.24 N ATOM 0 H HIS A 27 14.026 -6.128 -8.764 1.00 51.23 H new ATOM 0 HA HIS A 27 15.641 -3.631 -8.637 1.00 52.43 H new ATOM 0 HB2 HIS A 27 12.728 -3.944 -7.934 1.00 21.24 H new ATOM 0 HB3 HIS A 27 13.674 -2.469 -7.967 1.00 21.24 H new ATOM 0 HD2 HIS A 27 12.393 -5.117 -10.644 1.00 21.41 H new ATOM 0 HE1 HIS A 27 12.848 -1.347 -12.522 1.00 74.54 H new ATOM 0 HE2 HIS A 27 12.069 -3.804 -12.810 1.00 22.24 H new ATOM 492 N PRO A 28 16.429 -4.832 -6.524 1.00 55.03 N ATOM 493 CA PRO A 28 16.856 -5.157 -5.173 1.00 41.14 C ATOM 494 C PRO A 28 16.865 -3.911 -4.286 1.00 41.12 C ATOM 495 O PRO A 28 16.629 -4.001 -3.082 1.00 74.04 O ATOM 496 CB PRO A 28 18.232 -5.782 -5.335 1.00 22.43 C ATOM 497 CG PRO A 28 18.721 -5.362 -6.711 1.00 40.31 C ATOM 498 CD PRO A 28 17.533 -4.809 -7.480 1.00 2.23 C ATOM 0 HA PRO A 28 16.177 -5.847 -4.671 1.00 41.14 H new ATOM 0 HB2 PRO A 28 18.912 -5.436 -4.557 1.00 22.43 H new ATOM 0 HB3 PRO A 28 18.180 -6.868 -5.254 1.00 22.43 H new ATOM 0 HG2 PRO A 28 19.504 -4.608 -6.624 1.00 40.31 H new ATOM 0 HG3 PRO A 28 19.154 -6.212 -7.238 1.00 40.31 H new ATOM 0 HD2 PRO A 28 17.728 -3.797 -7.836 1.00 2.23 H new ATOM 0 HD3 PRO A 28 17.311 -5.418 -8.356 1.00 2.23 H new ATOM 506 N THR A 29 17.140 -2.778 -4.915 1.00 63.23 N ATOM 507 CA THR A 29 17.183 -1.515 -4.198 1.00 35.40 C ATOM 508 C THR A 29 15.803 -0.854 -4.198 1.00 2.51 C ATOM 509 O THR A 29 15.698 0.370 -4.143 1.00 3.01 O ATOM 510 CB THR A 29 18.273 -0.649 -4.831 1.00 72.21 C ATOM 511 OG1 THR A 29 17.685 -0.180 -6.042 1.00 20.14 O ATOM 512 CG2 THR A 29 19.478 -1.469 -5.295 1.00 4.31 C ATOM 0 H THR A 29 17.335 -2.708 -5.914 1.00 63.23 H new ATOM 0 HA THR A 29 17.436 -1.664 -3.148 1.00 35.40 H new ATOM 0 HB THR A 29 18.601 0.103 -4.113 1.00 72.21 H new ATOM 0 HG1 THR A 29 18.324 0.392 -6.516 1.00 20.14 H new ATOM 0 HG21 THR A 29 20.221 -0.805 -5.736 1.00 4.31 H new ATOM 0 HG22 THR A 29 19.915 -1.988 -4.442 1.00 4.31 H new ATOM 0 HG23 THR A 29 19.157 -2.199 -6.038 1.00 4.31 H new ATOM 520 N LYS A 30 14.780 -1.693 -4.262 1.00 73.12 N ATOM 521 CA LYS A 30 13.412 -1.205 -4.272 1.00 13.34 C ATOM 522 C LYS A 30 12.563 -2.062 -3.330 1.00 74.25 C ATOM 523 O LYS A 30 12.809 -3.257 -3.181 1.00 52.32 O ATOM 524 CB LYS A 30 12.873 -1.147 -5.702 1.00 53.11 C ATOM 525 CG LYS A 30 13.701 -0.190 -6.562 1.00 74.24 C ATOM 526 CD LYS A 30 13.371 1.267 -6.233 1.00 31.34 C ATOM 527 CE LYS A 30 13.300 2.113 -7.505 1.00 62.14 C ATOM 528 NZ LYS A 30 13.111 3.543 -7.168 1.00 64.44 N ATOM 0 H LYS A 30 14.871 -2.708 -4.307 1.00 73.12 H new ATOM 0 HA LYS A 30 13.371 -0.182 -3.899 1.00 13.34 H new ATOM 0 HB2 LYS A 30 12.890 -2.144 -6.142 1.00 53.11 H new ATOM 0 HB3 LYS A 30 11.833 -0.822 -5.689 1.00 53.11 H new ATOM 0 HG2 LYS A 30 14.763 -0.373 -6.396 1.00 74.24 H new ATOM 0 HG3 LYS A 30 13.505 -0.382 -7.617 1.00 74.24 H new ATOM 0 HD2 LYS A 30 12.419 1.318 -5.705 1.00 31.34 H new ATOM 0 HD3 LYS A 30 14.129 1.673 -5.564 1.00 31.34 H new ATOM 0 HE2 LYS A 30 14.215 1.988 -8.084 1.00 62.14 H new ATOM 0 HE3 LYS A 30 12.477 1.769 -8.132 1.00 62.14 H new ATOM 0 HZ1 LYS A 30 12.594 4.015 -7.937 1.00 64.44 H new ATOM 0 HZ2 LYS A 30 12.568 3.623 -6.285 1.00 64.44 H new ATOM 0 HZ3 LYS A 30 14.039 3.996 -7.046 1.00 64.44 H new ATOM 541 N ILE A 31 11.581 -1.416 -2.718 1.00 11.23 N ATOM 542 CA ILE A 31 10.695 -2.104 -1.794 1.00 34.53 C ATOM 543 C ILE A 31 9.385 -2.444 -2.508 1.00 61.33 C ATOM 544 O ILE A 31 8.657 -1.549 -2.935 1.00 14.43 O ATOM 545 CB ILE A 31 10.504 -1.280 -0.520 1.00 2.23 C ATOM 546 CG1 ILE A 31 11.846 -1.004 0.162 1.00 63.34 C ATOM 547 CG2 ILE A 31 9.508 -1.954 0.427 1.00 3.42 C ATOM 548 CD1 ILE A 31 12.442 -2.290 0.737 1.00 43.44 C ATOM 0 H ILE A 31 11.379 -0.424 -2.844 1.00 11.23 H new ATOM 0 HA ILE A 31 11.138 -3.047 -1.473 1.00 34.53 H new ATOM 0 HB ILE A 31 10.080 -0.315 -0.799 1.00 2.23 H new ATOM 0 HG12 ILE A 31 12.540 -0.566 -0.556 1.00 63.34 H new ATOM 0 HG13 ILE A 31 11.710 -0.274 0.959 1.00 63.34 H new ATOM 0 HG21 ILE A 31 9.391 -1.347 1.325 1.00 3.42 H new ATOM 0 HG22 ILE A 31 8.544 -2.055 -0.071 1.00 3.42 H new ATOM 0 HG23 ILE A 31 9.879 -2.941 0.703 1.00 3.42 H new ATOM 0 HD11 ILE A 31 13.395 -2.067 1.216 1.00 43.44 H new ATOM 0 HD12 ILE A 31 11.756 -2.712 1.472 1.00 43.44 H new ATOM 0 HD13 ILE A 31 12.600 -3.009 -0.067 1.00 43.44 H new ATOM 560 N PRO A 32 9.119 -3.773 -2.620 1.00 41.13 N ATOM 561 CA PRO A 32 7.910 -4.242 -3.275 1.00 31.23 C ATOM 562 C PRO A 32 6.686 -4.036 -2.379 1.00 60.01 C ATOM 563 O PRO A 32 6.747 -4.276 -1.174 1.00 33.01 O ATOM 564 CB PRO A 32 8.176 -5.704 -3.591 1.00 4.31 C ATOM 565 CG PRO A 32 9.329 -6.122 -2.693 1.00 32.45 C ATOM 566 CD PRO A 32 9.959 -4.860 -2.126 1.00 10.22 C ATOM 0 HA PRO A 32 7.682 -3.687 -4.185 1.00 31.23 H new ATOM 0 HB2 PRO A 32 7.292 -6.312 -3.400 1.00 4.31 H new ATOM 0 HB3 PRO A 32 8.432 -5.836 -4.642 1.00 4.31 H new ATOM 0 HG2 PRO A 32 8.973 -6.765 -1.889 1.00 32.45 H new ATOM 0 HG3 PRO A 32 10.064 -6.695 -3.258 1.00 32.45 H new ATOM 0 HD2 PRO A 32 9.978 -4.882 -1.036 1.00 10.22 H new ATOM 0 HD3 PRO A 32 10.990 -4.747 -2.461 1.00 10.22 H new ATOM 574 N VAL A 33 5.604 -3.594 -3.003 1.00 12.13 N ATOM 575 CA VAL A 33 4.368 -3.354 -2.279 1.00 24.23 C ATOM 576 C VAL A 33 3.178 -3.674 -3.186 1.00 4.32 C ATOM 577 O VAL A 33 3.304 -3.655 -4.410 1.00 1.31 O ATOM 578 CB VAL A 33 4.343 -1.920 -1.747 1.00 41.31 C ATOM 579 CG1 VAL A 33 5.674 -1.558 -1.082 1.00 5.21 C ATOM 580 CG2 VAL A 33 4.000 -0.928 -2.859 1.00 4.04 C ATOM 0 H VAL A 33 5.558 -3.396 -4.003 1.00 12.13 H new ATOM 0 HA VAL A 33 4.302 -4.011 -1.412 1.00 24.23 H new ATOM 0 HB VAL A 33 3.561 -1.858 -0.990 1.00 41.31 H new ATOM 0 HG11 VAL A 33 5.629 -0.533 -0.713 1.00 5.21 H new ATOM 0 HG12 VAL A 33 5.861 -2.236 -0.249 1.00 5.21 H new ATOM 0 HG13 VAL A 33 6.480 -1.646 -1.810 1.00 5.21 H new ATOM 0 HG21 VAL A 33 3.989 0.084 -2.453 1.00 4.04 H new ATOM 0 HG22 VAL A 33 4.748 -0.994 -3.649 1.00 4.04 H new ATOM 0 HG23 VAL A 33 3.018 -1.165 -3.268 1.00 4.04 H new ATOM 590 N ILE A 34 2.051 -3.964 -2.552 1.00 53.34 N ATOM 591 CA ILE A 34 0.841 -4.288 -3.287 1.00 0.30 C ATOM 592 C ILE A 34 -0.310 -3.418 -2.776 1.00 63.12 C ATOM 593 O ILE A 34 -0.953 -3.755 -1.784 1.00 30.23 O ATOM 594 CB ILE A 34 0.556 -5.789 -3.213 1.00 40.20 C ATOM 595 CG1 ILE A 34 1.591 -6.582 -4.015 1.00 35.11 C ATOM 596 CG2 ILE A 34 -0.875 -6.099 -3.659 1.00 40.24 C ATOM 597 CD1 ILE A 34 1.472 -6.284 -5.511 1.00 42.24 C ATOM 0 H ILE A 34 1.951 -3.981 -1.537 1.00 53.34 H new ATOM 0 HA ILE A 34 0.966 -4.062 -4.346 1.00 0.30 H new ATOM 0 HB ILE A 34 0.643 -6.103 -2.173 1.00 40.20 H new ATOM 0 HG12 ILE A 34 2.594 -6.331 -3.669 1.00 35.11 H new ATOM 0 HG13 ILE A 34 1.451 -7.649 -3.841 1.00 35.11 H new ATOM 0 HG21 ILE A 34 -1.051 -7.173 -3.597 1.00 40.24 H new ATOM 0 HG22 ILE A 34 -1.579 -5.578 -3.011 1.00 40.24 H new ATOM 0 HG23 ILE A 34 -1.015 -5.767 -4.688 1.00 40.24 H new ATOM 0 HD11 ILE A 34 2.219 -6.860 -6.057 1.00 42.24 H new ATOM 0 HD12 ILE A 34 0.476 -6.559 -5.859 1.00 42.24 H new ATOM 0 HD13 ILE A 34 1.636 -5.220 -5.684 1.00 42.24 H new ATOM 609 N ILE A 35 -0.532 -2.316 -3.476 1.00 13.32 N ATOM 610 CA ILE A 35 -1.594 -1.396 -3.106 1.00 43.02 C ATOM 611 C ILE A 35 -2.859 -1.739 -3.895 1.00 62.52 C ATOM 612 O ILE A 35 -2.855 -1.711 -5.124 1.00 31.22 O ATOM 613 CB ILE A 35 -1.132 0.053 -3.282 1.00 14.43 C ATOM 614 CG1 ILE A 35 0.236 0.275 -2.635 1.00 62.53 C ATOM 615 CG2 ILE A 35 -2.183 1.031 -2.750 1.00 64.40 C ATOM 616 CD1 ILE A 35 0.857 1.591 -3.106 1.00 12.23 C ATOM 0 H ILE A 35 0.005 -2.039 -4.298 1.00 13.32 H new ATOM 0 HA ILE A 35 -1.840 -1.502 -2.049 1.00 43.02 H new ATOM 0 HB ILE A 35 -1.019 0.249 -4.348 1.00 14.43 H new ATOM 0 HG12 ILE A 35 0.132 0.285 -1.550 1.00 62.53 H new ATOM 0 HG13 ILE A 35 0.899 -0.554 -2.884 1.00 62.53 H new ATOM 0 HG21 ILE A 35 -1.831 2.053 -2.887 1.00 64.40 H new ATOM 0 HG22 ILE A 35 -3.117 0.893 -3.295 1.00 64.40 H new ATOM 0 HG23 ILE A 35 -2.350 0.844 -1.689 1.00 64.40 H new ATOM 0 HD11 ILE A 35 1.829 1.725 -2.631 1.00 12.23 H new ATOM 0 HD12 ILE A 35 0.982 1.567 -4.189 1.00 12.23 H new ATOM 0 HD13 ILE A 35 0.203 2.420 -2.834 1.00 12.23 H new ATOM 628 N GLU A 36 -3.912 -2.055 -3.155 1.00 14.05 N ATOM 629 CA GLU A 36 -5.181 -2.403 -3.770 1.00 10.15 C ATOM 630 C GLU A 36 -6.311 -1.570 -3.163 1.00 32.02 C ATOM 631 O GLU A 36 -6.128 -0.926 -2.131 1.00 33.43 O ATOM 632 CB GLU A 36 -5.467 -3.900 -3.629 1.00 14.40 C ATOM 633 CG GLU A 36 -5.001 -4.665 -4.868 1.00 64.41 C ATOM 634 CD GLU A 36 -5.899 -4.363 -6.070 1.00 73.35 C ATOM 635 OE1 GLU A 36 -6.410 -3.240 -6.194 1.00 11.42 O ATOM 636 OE2 GLU A 36 -6.058 -5.344 -6.893 1.00 2.44 O ATOM 0 H GLU A 36 -3.912 -2.077 -2.135 1.00 14.05 H new ATOM 0 HA GLU A 36 -5.120 -2.177 -4.835 1.00 10.15 H new ATOM 0 HB2 GLU A 36 -4.961 -4.289 -2.745 1.00 14.40 H new ATOM 0 HB3 GLU A 36 -6.535 -4.058 -3.480 1.00 14.40 H new ATOM 0 HG2 GLU A 36 -3.972 -4.393 -5.101 1.00 64.41 H new ATOM 0 HG3 GLU A 36 -5.010 -5.736 -4.663 1.00 64.41 H new ATOM 644 N ARG A 37 -7.456 -1.608 -3.829 1.00 33.23 N ATOM 645 CA ARG A 37 -8.616 -0.865 -3.367 1.00 73.24 C ATOM 646 C ARG A 37 -9.279 -1.588 -2.193 1.00 64.52 C ATOM 647 O ARG A 37 -9.400 -2.813 -2.204 1.00 12.04 O ATOM 648 CB ARG A 37 -9.639 -0.688 -4.492 1.00 51.13 C ATOM 649 CG ARG A 37 -10.183 -2.040 -4.957 1.00 1.41 C ATOM 650 CD ARG A 37 -10.598 -1.987 -6.428 1.00 24.11 C ATOM 651 NE ARG A 37 -11.616 -3.025 -6.705 1.00 34.33 N ATOM 652 CZ ARG A 37 -12.933 -2.881 -6.445 1.00 70.24 C ATOM 653 NH1 ARG A 37 -13.403 -1.739 -5.899 1.00 72.20 N ATOM 654 NH2 ARG A 37 -13.754 -3.874 -6.731 1.00 44.03 N ATOM 0 H ARG A 37 -7.605 -2.142 -4.685 1.00 33.23 H new ATOM 0 HA ARG A 37 -8.273 0.118 -3.044 1.00 73.24 H new ATOM 0 HB2 ARG A 37 -10.461 -0.061 -4.146 1.00 51.13 H new ATOM 0 HB3 ARG A 37 -9.175 -0.170 -5.332 1.00 51.13 H new ATOM 0 HG2 ARG A 37 -9.423 -2.809 -4.817 1.00 1.41 H new ATOM 0 HG3 ARG A 37 -11.039 -2.322 -4.344 1.00 1.41 H new ATOM 0 HD2 ARG A 37 -10.998 -1.001 -6.666 1.00 24.11 H new ATOM 0 HD3 ARG A 37 -9.727 -2.141 -7.066 1.00 24.11 H new ATOM 0 HE ARG A 37 -11.303 -3.904 -7.118 1.00 34.33 H new ATOM 0 HH11 ARG A 37 -12.762 -0.977 -5.680 1.00 72.20 H new ATOM 0 HH12 ARG A 37 -14.399 -1.638 -5.706 1.00 72.20 H new ATOM 0 HH21 ARG A 37 -13.391 -4.734 -7.142 1.00 44.03 H new ATOM 0 HH22 ARG A 37 -14.752 -3.782 -6.541 1.00 44.03 H new ATOM 667 N TYR A 38 -9.689 -0.802 -1.211 1.00 2.33 N ATOM 668 CA TYR A 38 -10.336 -1.352 -0.032 1.00 20.32 C ATOM 669 C TYR A 38 -11.589 -2.144 -0.413 1.00 54.11 C ATOM 670 O TYR A 38 -12.352 -1.725 -1.282 1.00 13.01 O ATOM 671 CB TYR A 38 -10.747 -0.152 0.824 1.00 12.43 C ATOM 672 CG TYR A 38 -11.908 -0.437 1.778 1.00 11.11 C ATOM 673 CD1 TYR A 38 -13.198 -0.509 1.294 1.00 12.43 C ATOM 674 CD2 TYR A 38 -11.665 -0.620 3.125 1.00 42.23 C ATOM 675 CE1 TYR A 38 -14.291 -0.777 2.193 1.00 53.35 C ATOM 676 CE2 TYR A 38 -12.758 -0.888 4.024 1.00 42.11 C ATOM 677 CZ TYR A 38 -14.017 -0.953 3.513 1.00 23.24 C ATOM 678 OH TYR A 38 -15.049 -1.206 4.362 1.00 23.44 O ATOM 0 H TYR A 38 -9.586 0.213 -1.207 1.00 2.33 H new ATOM 0 HA TYR A 38 -9.662 -2.029 0.494 1.00 20.32 H new ATOM 0 HB2 TYR A 38 -9.886 0.179 1.405 1.00 12.43 H new ATOM 0 HB3 TYR A 38 -11.024 0.672 0.167 1.00 12.43 H new ATOM 0 HD1 TYR A 38 -13.388 -0.364 0.241 1.00 12.43 H new ATOM 0 HD2 TYR A 38 -10.655 -0.562 3.504 1.00 42.23 H new ATOM 0 HE1 TYR A 38 -15.305 -0.837 1.827 1.00 53.35 H new ATOM 0 HE2 TYR A 38 -12.582 -1.034 5.080 1.00 42.11 H new ATOM 0 HH TYR A 38 -14.705 -1.311 5.273 1.00 23.44 H new ATOM 688 N LYS A 39 -11.762 -3.274 0.257 1.00 73.55 N ATOM 689 CA LYS A 39 -12.909 -4.129 -0.001 1.00 43.43 C ATOM 690 C LYS A 39 -14.195 -3.326 0.212 1.00 21.11 C ATOM 691 O LYS A 39 -14.671 -3.199 1.339 1.00 3.42 O ATOM 692 CB LYS A 39 -12.831 -5.401 0.845 1.00 73.41 C ATOM 693 CG LYS A 39 -11.564 -6.196 0.521 1.00 61.13 C ATOM 694 CD LYS A 39 -11.452 -7.434 1.413 1.00 10.22 C ATOM 695 CE LYS A 39 -10.701 -7.110 2.707 1.00 52.01 C ATOM 696 NZ LYS A 39 -9.429 -6.417 2.408 1.00 32.44 N ATOM 0 H LYS A 39 -11.127 -3.617 0.978 1.00 73.55 H new ATOM 0 HA LYS A 39 -12.909 -4.464 -1.038 1.00 43.43 H new ATOM 0 HB2 LYS A 39 -12.840 -5.140 1.903 1.00 73.41 H new ATOM 0 HB3 LYS A 39 -13.710 -6.019 0.661 1.00 73.41 H new ATOM 0 HG2 LYS A 39 -11.577 -6.498 -0.526 1.00 61.13 H new ATOM 0 HG3 LYS A 39 -10.688 -5.563 0.659 1.00 61.13 H new ATOM 0 HD2 LYS A 39 -12.448 -7.807 1.650 1.00 10.22 H new ATOM 0 HD3 LYS A 39 -10.933 -8.228 0.876 1.00 10.22 H new ATOM 0 HE2 LYS A 39 -11.322 -6.483 3.347 1.00 52.01 H new ATOM 0 HE3 LYS A 39 -10.501 -8.029 3.258 1.00 52.01 H new ATOM 0 HZ1 LYS A 39 -8.734 -6.630 3.152 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 -9.064 -6.742 1.490 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 -9.593 -5.391 2.371 1.00 32.44 H new ATOM 709 N GLY A 40 -14.720 -2.807 -0.888 1.00 74.45 N ATOM 710 CA GLY A 40 -15.941 -2.021 -0.834 1.00 3.24 C ATOM 711 C GLY A 40 -15.664 -0.553 -1.164 1.00 12.21 C ATOM 712 O GLY A 40 -16.477 0.319 -0.862 1.00 40.33 O ATOM 0 H GLY A 40 -14.323 -2.915 -1.821 1.00 74.45 H new ATOM 0 HA2 GLY A 40 -16.669 -2.424 -1.538 1.00 3.24 H new ATOM 0 HA3 GLY A 40 -16.383 -2.097 0.160 1.00 3.24 H new ATOM 716 N GLU A 41 -14.512 -0.325 -1.778 1.00 33.32 N ATOM 717 CA GLU A 41 -14.116 1.023 -2.151 1.00 32.55 C ATOM 718 C GLU A 41 -14.264 1.220 -3.662 1.00 20.11 C ATOM 719 O GLU A 41 -13.475 0.687 -4.440 1.00 31.05 O ATOM 720 CB GLU A 41 -12.687 1.320 -1.696 1.00 62.14 C ATOM 721 CG GLU A 41 -12.129 2.552 -2.411 1.00 52.41 C ATOM 722 CD GLU A 41 -12.977 3.790 -2.113 1.00 41.41 C ATOM 723 OE1 GLU A 41 -12.558 4.655 -1.329 1.00 62.12 O ATOM 724 OE2 GLU A 41 -14.109 3.837 -2.729 1.00 34.32 O ATOM 0 H GLU A 41 -13.840 -1.051 -2.027 1.00 33.32 H new ATOM 0 HA GLU A 41 -14.776 1.728 -1.646 1.00 32.55 H new ATOM 0 HB2 GLU A 41 -12.671 1.482 -0.618 1.00 62.14 H new ATOM 0 HB3 GLU A 41 -12.051 0.458 -1.898 1.00 62.14 H new ATOM 0 HG2 GLU A 41 -11.101 2.726 -2.094 1.00 52.41 H new ATOM 0 HG3 GLU A 41 -12.105 2.373 -3.486 1.00 52.41 H new ATOM 732 N LYS A 42 -15.280 1.987 -4.029 1.00 64.40 N ATOM 733 CA LYS A 42 -15.540 2.260 -5.433 1.00 2.11 C ATOM 734 C LYS A 42 -15.261 3.737 -5.719 1.00 14.01 C ATOM 735 O LYS A 42 -14.853 4.093 -6.824 1.00 33.23 O ATOM 736 CB LYS A 42 -16.954 1.817 -5.812 1.00 13.31 C ATOM 737 CG LYS A 42 -17.973 2.283 -4.769 1.00 45.50 C ATOM 738 CD LYS A 42 -18.097 1.267 -3.632 1.00 43.25 C ATOM 739 CE LYS A 42 -19.267 0.312 -3.876 1.00 4.32 C ATOM 740 NZ LYS A 42 -19.202 -0.836 -2.945 1.00 23.20 N ATOM 0 H LYS A 42 -15.932 2.428 -3.380 1.00 64.40 H new ATOM 0 HA LYS A 42 -14.869 1.679 -6.066 1.00 2.11 H new ATOM 0 HB2 LYS A 42 -17.217 2.223 -6.789 1.00 13.31 H new ATOM 0 HB3 LYS A 42 -16.988 0.731 -5.899 1.00 13.31 H new ATOM 0 HG2 LYS A 42 -17.671 3.250 -4.366 1.00 45.50 H new ATOM 0 HG3 LYS A 42 -18.945 2.425 -5.242 1.00 45.50 H new ATOM 0 HD2 LYS A 42 -17.171 0.699 -3.545 1.00 43.25 H new ATOM 0 HD3 LYS A 42 -18.241 1.790 -2.686 1.00 43.25 H new ATOM 0 HE2 LYS A 42 -20.210 0.842 -3.744 1.00 4.32 H new ATOM 0 HE3 LYS A 42 -19.244 -0.045 -4.905 1.00 4.32 H new ATOM 0 HZ1 LYS A 42 -20.003 -1.474 -3.124 1.00 23.20 H new ATOM 0 HZ2 LYS A 42 -18.310 -1.351 -3.090 1.00 23.20 H new ATOM 0 HZ3 LYS A 42 -19.247 -0.491 -1.965 1.00 23.20 H new ATOM 753 N GLN A 43 -15.492 4.558 -4.705 1.00 63.45 N ATOM 754 CA GLN A 43 -15.271 5.989 -4.834 1.00 43.21 C ATOM 755 C GLN A 43 -14.007 6.258 -5.653 1.00 65.15 C ATOM 756 O GLN A 43 -14.087 6.571 -6.841 1.00 23.23 O ATOM 757 CB GLN A 43 -15.187 6.657 -3.461 1.00 65.43 C ATOM 758 CG GLN A 43 -16.562 6.713 -2.793 1.00 61.32 C ATOM 759 CD GLN A 43 -17.323 7.974 -3.208 1.00 0.41 C ATOM 760 OE1 GLN A 43 -16.747 9.002 -3.522 1.00 34.35 O ATOM 761 NE2 GLN A 43 -18.646 7.838 -3.193 1.00 61.50 N ATOM 0 H GLN A 43 -15.830 4.260 -3.790 1.00 63.45 H new ATOM 0 HA GLN A 43 -16.121 6.423 -5.360 1.00 43.21 H new ATOM 0 HB2 GLN A 43 -14.493 6.106 -2.827 1.00 65.43 H new ATOM 0 HB3 GLN A 43 -14.789 7.666 -3.567 1.00 65.43 H new ATOM 0 HG2 GLN A 43 -17.139 5.829 -3.066 1.00 61.32 H new ATOM 0 HG3 GLN A 43 -16.445 6.695 -1.709 1.00 61.32 H new ATOM 0 HE21 GLN A 43 -19.064 6.949 -2.920 1.00 61.50 H new ATOM 0 HE22 GLN A 43 -19.242 8.623 -3.455 1.00 61.50 H new ATOM 770 N LEU A 44 -12.869 6.127 -4.987 1.00 70.13 N ATOM 771 CA LEU A 44 -11.590 6.353 -5.638 1.00 74.32 C ATOM 772 C LEU A 44 -11.454 5.402 -6.829 1.00 11.20 C ATOM 773 O LEU A 44 -12.028 4.315 -6.828 1.00 43.35 O ATOM 774 CB LEU A 44 -10.447 6.240 -4.628 1.00 23.41 C ATOM 775 CG LEU A 44 -10.431 7.288 -3.513 1.00 52.12 C ATOM 776 CD1 LEU A 44 -10.092 6.649 -2.165 1.00 50.33 C ATOM 777 CD2 LEU A 44 -9.483 8.439 -3.856 1.00 10.25 C ATOM 0 H LEU A 44 -12.806 5.867 -4.003 1.00 70.13 H new ATOM 0 HA LEU A 44 -11.537 7.368 -6.032 1.00 74.32 H new ATOM 0 HB2 LEU A 44 -10.490 5.252 -4.170 1.00 23.41 H new ATOM 0 HB3 LEU A 44 -9.503 6.300 -5.169 1.00 23.41 H new ATOM 0 HG LEU A 44 -11.432 7.710 -3.427 1.00 52.12 H new ATOM 0 HD11 LEU A 44 -10.087 7.415 -1.390 1.00 50.33 H new ATOM 0 HD12 LEU A 44 -10.839 5.893 -1.923 1.00 50.33 H new ATOM 0 HD13 LEU A 44 -9.108 6.183 -2.220 1.00 50.33 H new ATOM 0 HD21 LEU A 44 -9.490 9.170 -3.047 1.00 10.25 H new ATOM 0 HD22 LEU A 44 -8.472 8.052 -3.986 1.00 10.25 H new ATOM 0 HD23 LEU A 44 -9.810 8.917 -4.780 1.00 10.25 H new ATOM 789 N PRO A 45 -10.672 5.860 -7.843 1.00 31.11 N ATOM 790 CA PRO A 45 -10.452 5.062 -9.037 1.00 72.02 C ATOM 791 C PRO A 45 -9.481 3.913 -8.760 1.00 4.31 C ATOM 792 O PRO A 45 -8.793 3.910 -7.741 1.00 31.03 O ATOM 793 CB PRO A 45 -9.932 6.042 -10.075 1.00 14.10 C ATOM 794 CG PRO A 45 -9.439 7.251 -9.296 1.00 24.31 C ATOM 795 CD PRO A 45 -9.976 7.142 -7.879 1.00 12.34 C ATOM 0 HA PRO A 45 -11.361 4.574 -9.389 1.00 72.02 H new ATOM 0 HB2 PRO A 45 -9.126 5.600 -10.661 1.00 14.10 H new ATOM 0 HB3 PRO A 45 -10.718 6.323 -10.776 1.00 14.10 H new ATOM 0 HG2 PRO A 45 -8.349 7.283 -9.290 1.00 24.31 H new ATOM 0 HG3 PRO A 45 -9.782 8.173 -9.765 1.00 24.31 H new ATOM 0 HD2 PRO A 45 -9.170 7.175 -7.146 1.00 12.34 H new ATOM 0 HD3 PRO A 45 -10.651 7.966 -7.647 1.00 12.34 H new ATOM 803 N VAL A 46 -9.458 2.964 -9.684 1.00 55.41 N ATOM 804 CA VAL A 46 -8.582 1.811 -9.552 1.00 62.40 C ATOM 805 C VAL A 46 -7.140 2.238 -9.830 1.00 24.11 C ATOM 806 O VAL A 46 -6.809 2.630 -10.947 1.00 23.43 O ATOM 807 CB VAL A 46 -9.059 0.683 -10.468 1.00 71.25 C ATOM 808 CG1 VAL A 46 -9.301 1.197 -11.889 1.00 21.34 C ATOM 809 CG2 VAL A 46 -8.067 -0.480 -10.468 1.00 2.32 C ATOM 0 H VAL A 46 -10.032 2.969 -10.527 1.00 55.41 H new ATOM 0 HA VAL A 46 -8.615 1.420 -8.535 1.00 62.40 H new ATOM 0 HB VAL A 46 -10.008 0.314 -10.078 1.00 71.25 H new ATOM 0 HG11 VAL A 46 -9.639 0.375 -12.520 1.00 21.34 H new ATOM 0 HG12 VAL A 46 -10.062 1.977 -11.869 1.00 21.34 H new ATOM 0 HG13 VAL A 46 -8.374 1.605 -12.291 1.00 21.34 H new ATOM 0 HG21 VAL A 46 -8.430 -1.268 -11.127 1.00 2.32 H new ATOM 0 HG22 VAL A 46 -7.097 -0.131 -10.821 1.00 2.32 H new ATOM 0 HG23 VAL A 46 -7.965 -0.872 -9.456 1.00 2.32 H new ATOM 819 N LEU A 47 -6.319 2.147 -8.793 1.00 70.21 N ATOM 820 CA LEU A 47 -4.920 2.519 -8.911 1.00 52.54 C ATOM 821 C LEU A 47 -4.379 2.031 -10.257 1.00 0.41 C ATOM 822 O LEU A 47 -4.732 0.944 -10.714 1.00 44.05 O ATOM 823 CB LEU A 47 -4.126 2.008 -7.708 1.00 21.34 C ATOM 824 CG LEU A 47 -3.066 2.961 -7.150 1.00 14.51 C ATOM 825 CD1 LEU A 47 -2.311 3.663 -8.280 1.00 51.34 C ATOM 826 CD2 LEU A 47 -3.686 3.957 -6.169 1.00 2.31 C ATOM 0 H LEU A 47 -6.597 1.821 -7.867 1.00 70.21 H new ATOM 0 HA LEU A 47 -4.812 3.604 -8.897 1.00 52.54 H new ATOM 0 HB2 LEU A 47 -4.828 1.769 -6.909 1.00 21.34 H new ATOM 0 HB3 LEU A 47 -3.636 1.076 -7.990 1.00 21.34 H new ATOM 0 HG LEU A 47 -2.337 2.373 -6.593 1.00 14.51 H new ATOM 0 HD11 LEU A 47 -1.564 4.334 -7.856 1.00 51.34 H new ATOM 0 HD12 LEU A 47 -1.817 2.919 -8.905 1.00 51.34 H new ATOM 0 HD13 LEU A 47 -3.013 4.237 -8.885 1.00 51.34 H new ATOM 0 HD21 LEU A 47 -2.911 4.622 -5.788 1.00 2.31 H new ATOM 0 HD22 LEU A 47 -4.449 4.544 -6.680 1.00 2.31 H new ATOM 0 HD23 LEU A 47 -4.140 3.416 -5.339 1.00 2.31 H new ATOM 838 N ASP A 48 -3.531 2.856 -10.853 1.00 34.23 N ATOM 839 CA ASP A 48 -2.938 2.522 -12.137 1.00 65.12 C ATOM 840 C ASP A 48 -2.566 1.037 -12.150 1.00 61.25 C ATOM 841 O ASP A 48 -2.735 0.361 -13.163 1.00 1.55 O ATOM 842 CB ASP A 48 -1.664 3.331 -12.382 1.00 32.20 C ATOM 843 CG ASP A 48 -1.891 4.787 -12.795 1.00 54.14 C ATOM 844 OD1 ASP A 48 -2.824 5.448 -12.314 1.00 11.32 O ATOM 845 OD2 ASP A 48 -1.053 5.246 -13.660 1.00 33.14 O ATOM 0 H ASP A 48 -3.240 3.756 -10.470 1.00 34.23 H new ATOM 0 HA ASP A 48 -3.666 2.752 -12.915 1.00 65.12 H new ATOM 0 HB2 ASP A 48 -1.062 3.317 -11.473 1.00 32.20 H new ATOM 0 HB3 ASP A 48 -1.081 2.836 -13.158 1.00 32.20 H new ATOM 851 N LYS A 49 -2.066 0.575 -11.014 1.00 34.30 N ATOM 852 CA LYS A 49 -1.669 -0.816 -10.882 1.00 13.11 C ATOM 853 C LYS A 49 -1.628 -1.192 -9.400 1.00 55.44 C ATOM 854 O LYS A 49 -2.061 -0.419 -8.547 1.00 64.03 O ATOM 855 CB LYS A 49 -0.351 -1.069 -11.617 1.00 53.23 C ATOM 856 CG LYS A 49 0.778 -0.223 -11.024 1.00 52.12 C ATOM 857 CD LYS A 49 0.866 1.137 -11.718 1.00 15.23 C ATOM 858 CE LYS A 49 1.543 1.013 -13.085 1.00 51.44 C ATOM 859 NZ LYS A 49 0.553 0.648 -14.122 1.00 4.25 N ATOM 0 H LYS A 49 -1.927 1.140 -10.176 1.00 34.30 H new ATOM 0 HA LYS A 49 -2.402 -1.468 -11.356 1.00 13.11 H new ATOM 0 HB2 LYS A 49 -0.091 -2.126 -11.552 1.00 53.23 H new ATOM 0 HB3 LYS A 49 -0.469 -0.834 -12.675 1.00 53.23 H new ATOM 0 HG2 LYS A 49 0.608 -0.080 -9.957 1.00 52.12 H new ATOM 0 HG3 LYS A 49 1.726 -0.751 -11.128 1.00 52.12 H new ATOM 0 HD2 LYS A 49 -0.134 1.552 -11.840 1.00 15.23 H new ATOM 0 HD3 LYS A 49 1.426 1.833 -11.093 1.00 15.23 H new ATOM 0 HE2 LYS A 49 2.022 1.956 -13.347 1.00 51.44 H new ATOM 0 HE3 LYS A 49 2.328 0.258 -13.042 1.00 51.44 H new ATOM 0 HZ1 LYS A 49 0.743 1.190 -14.989 1.00 4.25 H new ATOM 0 HZ2 LYS A 49 0.624 -0.369 -14.327 1.00 4.25 H new ATOM 0 HZ3 LYS A 49 -0.405 0.866 -13.780 1.00 4.25 H new ATOM 872 N THR A 50 -1.103 -2.380 -9.138 1.00 62.40 N ATOM 873 CA THR A 50 -1.000 -2.869 -7.773 1.00 12.42 C ATOM 874 C THR A 50 0.468 -3.005 -7.365 1.00 13.32 C ATOM 875 O THR A 50 0.802 -2.888 -6.187 1.00 13.53 O ATOM 876 CB THR A 50 -1.781 -4.181 -7.680 1.00 64.23 C ATOM 877 OG1 THR A 50 -1.620 -4.772 -8.967 1.00 33.22 O ATOM 878 CG2 THR A 50 -3.289 -3.958 -7.560 1.00 4.14 C ATOM 0 H THR A 50 -0.744 -3.019 -9.848 1.00 62.40 H new ATOM 0 HA THR A 50 -1.437 -2.164 -7.066 1.00 12.42 H new ATOM 0 HB THR A 50 -1.429 -4.752 -6.821 1.00 64.23 H new ATOM 0 HG1 THR A 50 -2.094 -5.629 -8.995 1.00 33.22 H new ATOM 0 HG21 THR A 50 -3.795 -4.921 -7.497 1.00 4.14 H new ATOM 0 HG22 THR A 50 -3.501 -3.378 -6.662 1.00 4.14 H new ATOM 0 HG23 THR A 50 -3.647 -3.416 -8.435 1.00 4.14 H new ATOM 886 N LYS A 51 1.306 -3.249 -8.361 1.00 63.11 N ATOM 887 CA LYS A 51 2.730 -3.403 -8.121 1.00 2.24 C ATOM 888 C LYS A 51 3.414 -2.039 -8.244 1.00 2.53 C ATOM 889 O LYS A 51 3.209 -1.324 -9.224 1.00 22.21 O ATOM 890 CB LYS A 51 3.319 -4.470 -9.046 1.00 62.34 C ATOM 891 CG LYS A 51 2.525 -5.775 -8.951 1.00 12.21 C ATOM 892 CD LYS A 51 3.462 -6.981 -8.870 1.00 14.34 C ATOM 893 CE LYS A 51 3.588 -7.672 -10.230 1.00 70.11 C ATOM 894 NZ LYS A 51 4.779 -8.549 -10.258 1.00 74.50 N ATOM 0 H LYS A 51 1.026 -3.344 -9.337 1.00 63.11 H new ATOM 0 HA LYS A 51 2.907 -3.761 -7.107 1.00 2.24 H new ATOM 0 HB2 LYS A 51 3.312 -4.109 -10.075 1.00 62.34 H new ATOM 0 HB3 LYS A 51 4.360 -4.653 -8.780 1.00 62.34 H new ATOM 0 HG2 LYS A 51 1.881 -5.750 -8.072 1.00 12.21 H new ATOM 0 HG3 LYS A 51 1.874 -5.873 -9.820 1.00 12.21 H new ATOM 0 HD2 LYS A 51 4.446 -6.659 -8.530 1.00 14.34 H new ATOM 0 HD3 LYS A 51 3.085 -7.689 -8.132 1.00 14.34 H new ATOM 0 HE2 LYS A 51 2.692 -8.259 -10.430 1.00 70.11 H new ATOM 0 HE3 LYS A 51 3.662 -6.924 -11.019 1.00 70.11 H new ATOM 0 HZ1 LYS A 51 4.647 -9.292 -10.974 1.00 74.50 H new ATOM 0 HZ2 LYS A 51 5.620 -7.985 -10.496 1.00 74.50 H new ATOM 0 HZ3 LYS A 51 4.909 -8.988 -9.324 1.00 74.50 H new ATOM 907 N PHE A 52 4.212 -1.720 -7.236 1.00 55.52 N ATOM 908 CA PHE A 52 4.926 -0.454 -7.217 1.00 12.53 C ATOM 909 C PHE A 52 6.346 -0.634 -6.678 1.00 23.41 C ATOM 910 O PHE A 52 6.555 -1.339 -5.692 1.00 20.35 O ATOM 911 CB PHE A 52 4.154 0.482 -6.286 1.00 64.54 C ATOM 912 CG PHE A 52 2.763 0.861 -6.798 1.00 42.21 C ATOM 913 CD1 PHE A 52 1.735 -0.023 -6.694 1.00 50.44 C ATOM 914 CD2 PHE A 52 2.554 2.083 -7.358 1.00 55.41 C ATOM 915 CE1 PHE A 52 0.444 0.329 -7.169 1.00 5.33 C ATOM 916 CE2 PHE A 52 1.263 2.436 -7.834 1.00 50.35 C ATOM 917 CZ PHE A 52 0.236 1.550 -7.729 1.00 13.42 C ATOM 0 H PHE A 52 4.380 -2.316 -6.426 1.00 55.52 H new ATOM 0 HA PHE A 52 4.998 -0.052 -8.228 1.00 12.53 H new ATOM 0 HB2 PHE A 52 4.054 0.006 -5.311 1.00 64.54 H new ATOM 0 HB3 PHE A 52 4.736 1.392 -6.138 1.00 64.54 H new ATOM 0 HD1 PHE A 52 1.901 -0.993 -6.250 1.00 50.44 H new ATOM 0 HD2 PHE A 52 3.370 2.785 -7.441 1.00 55.41 H new ATOM 0 HE1 PHE A 52 -0.372 -0.373 -7.085 1.00 5.33 H new ATOM 0 HE2 PHE A 52 1.097 3.406 -8.279 1.00 50.35 H new ATOM 0 HZ PHE A 52 -0.746 1.817 -8.091 1.00 13.42 H new ATOM 927 N LEU A 53 7.286 0.016 -7.348 1.00 0.05 N ATOM 928 CA LEU A 53 8.681 -0.064 -6.949 1.00 15.10 C ATOM 929 C LEU A 53 9.085 1.243 -6.264 1.00 53.33 C ATOM 930 O LEU A 53 9.312 2.253 -6.930 1.00 23.21 O ATOM 931 CB LEU A 53 9.562 -0.430 -8.145 1.00 22.22 C ATOM 932 CG LEU A 53 9.254 -1.768 -8.820 1.00 23.31 C ATOM 933 CD1 LEU A 53 10.464 -2.278 -9.603 1.00 34.22 C ATOM 934 CD2 LEU A 53 8.758 -2.795 -7.800 1.00 70.04 C ATOM 0 H LEU A 53 7.109 0.601 -8.165 1.00 0.05 H new ATOM 0 HA LEU A 53 8.824 -0.864 -6.223 1.00 15.10 H new ATOM 0 HB2 LEU A 53 9.474 0.360 -8.891 1.00 22.22 H new ATOM 0 HB3 LEU A 53 10.601 -0.442 -7.815 1.00 22.22 H new ATOM 0 HG LEU A 53 8.449 -1.611 -9.538 1.00 23.31 H new ATOM 0 HD11 LEU A 53 10.218 -3.230 -10.073 1.00 34.22 H new ATOM 0 HD12 LEU A 53 10.732 -1.553 -10.371 1.00 34.22 H new ATOM 0 HD13 LEU A 53 11.305 -2.415 -8.924 1.00 34.22 H new ATOM 0 HD21 LEU A 53 8.546 -3.737 -8.306 1.00 70.04 H new ATOM 0 HD22 LEU A 53 9.525 -2.954 -7.042 1.00 70.04 H new ATOM 0 HD23 LEU A 53 7.849 -2.426 -7.325 1.00 70.04 H new ATOM 946 N VAL A 54 9.165 1.183 -4.944 1.00 12.25 N ATOM 947 CA VAL A 54 9.539 2.349 -4.161 1.00 54.11 C ATOM 948 C VAL A 54 11.040 2.300 -3.866 1.00 53.14 C ATOM 949 O VAL A 54 11.599 1.226 -3.650 1.00 2.34 O ATOM 950 CB VAL A 54 8.683 2.427 -2.896 1.00 50.23 C ATOM 951 CG1 VAL A 54 8.606 1.066 -2.200 1.00 52.41 C ATOM 952 CG2 VAL A 54 9.211 3.500 -1.942 1.00 33.12 C ATOM 0 H VAL A 54 8.977 0.344 -4.395 1.00 12.25 H new ATOM 0 HA VAL A 54 9.348 3.263 -4.723 1.00 54.11 H new ATOM 0 HB VAL A 54 7.673 2.709 -3.193 1.00 50.23 H new ATOM 0 HG11 VAL A 54 7.991 1.150 -1.304 1.00 52.41 H new ATOM 0 HG12 VAL A 54 8.163 0.336 -2.877 1.00 52.41 H new ATOM 0 HG13 VAL A 54 9.609 0.742 -1.923 1.00 52.41 H new ATOM 0 HG21 VAL A 54 8.584 3.535 -1.051 1.00 33.12 H new ATOM 0 HG22 VAL A 54 10.235 3.261 -1.656 1.00 33.12 H new ATOM 0 HG23 VAL A 54 9.190 4.470 -2.438 1.00 33.12 H new ATOM 962 N PRO A 55 11.665 3.508 -3.867 1.00 45.33 N ATOM 963 CA PRO A 55 13.090 3.613 -3.602 1.00 0.21 C ATOM 964 C PRO A 55 13.386 3.421 -2.112 1.00 50.22 C ATOM 965 O PRO A 55 12.756 4.051 -1.265 1.00 54.10 O ATOM 966 CB PRO A 55 13.485 4.988 -4.114 1.00 72.21 C ATOM 967 CG PRO A 55 12.192 5.781 -4.220 1.00 64.33 C ATOM 968 CD PRO A 55 11.034 4.801 -4.118 1.00 22.13 C ATOM 0 HA PRO A 55 13.669 2.836 -4.101 1.00 0.21 H new ATOM 0 HB2 PRO A 55 14.185 5.472 -3.433 1.00 72.21 H new ATOM 0 HB3 PRO A 55 13.980 4.917 -5.083 1.00 72.21 H new ATOM 0 HG2 PRO A 55 12.134 6.524 -3.425 1.00 64.33 H new ATOM 0 HG3 PRO A 55 12.152 6.322 -5.166 1.00 64.33 H new ATOM 0 HD2 PRO A 55 10.354 5.074 -3.311 1.00 22.13 H new ATOM 0 HD3 PRO A 55 10.447 4.784 -5.036 1.00 22.13 H new ATOM 976 N ASP A 56 14.345 2.549 -1.840 1.00 15.23 N ATOM 977 CA ASP A 56 14.733 2.266 -0.468 1.00 24.22 C ATOM 978 C ASP A 56 15.688 3.357 0.022 1.00 33.22 C ATOM 979 O ASP A 56 16.771 3.059 0.521 1.00 24.04 O ATOM 980 CB ASP A 56 15.457 0.923 -0.367 1.00 14.44 C ATOM 981 CG ASP A 56 16.884 0.914 -0.921 1.00 63.42 C ATOM 982 OD1 ASP A 56 17.148 1.439 -2.012 1.00 73.21 O ATOM 983 OD2 ASP A 56 17.755 0.329 -0.171 1.00 53.21 O ATOM 0 H ASP A 56 14.865 2.029 -2.546 1.00 15.23 H new ATOM 0 HA ASP A 56 13.828 2.234 0.139 1.00 24.22 H new ATOM 0 HB2 ASP A 56 15.488 0.622 0.680 1.00 14.44 H new ATOM 0 HB3 ASP A 56 14.873 0.171 -0.898 1.00 14.44 H new ATOM 989 N HIS A 57 15.250 4.597 -0.139 1.00 42.54 N ATOM 990 CA HIS A 57 16.052 5.734 0.281 1.00 33.12 C ATOM 991 C HIS A 57 15.135 6.901 0.650 1.00 34.15 C ATOM 992 O HIS A 57 15.564 8.055 0.653 1.00 74.42 O ATOM 993 CB HIS A 57 17.079 6.101 -0.792 1.00 42.14 C ATOM 994 CG HIS A 57 16.572 7.091 -1.813 1.00 61.13 C ATOM 995 ND1 HIS A 57 15.245 7.154 -2.203 1.00 2.30 N ATOM 996 CD2 HIS A 57 17.225 8.058 -2.518 1.00 44.01 C ATOM 997 CE1 HIS A 57 15.119 8.117 -3.103 1.00 52.24 C ATOM 998 NE2 HIS A 57 16.347 8.676 -3.298 1.00 2.34 N ATOM 0 H HIS A 57 14.350 4.839 -0.554 1.00 42.54 H new ATOM 0 HA HIS A 57 16.623 5.472 1.172 1.00 33.12 H new ATOM 0 HB2 HIS A 57 17.963 6.515 -0.308 1.00 42.14 H new ATOM 0 HB3 HIS A 57 17.393 5.193 -1.306 1.00 42.14 H new ATOM 0 HD2 HIS A 57 18.279 8.283 -2.453 1.00 44.01 H new ATOM 0 HE1 HIS A 57 14.204 8.409 -3.596 1.00 52.24 H new ATOM 0 HE2 HIS A 57 16.556 9.442 -3.938 1.00 2.34 H new ATOM 1006 N VAL A 58 13.891 6.562 0.949 1.00 51.30 N ATOM 1007 CA VAL A 58 12.908 7.568 1.318 1.00 21.42 C ATOM 1008 C VAL A 58 12.070 7.052 2.489 1.00 52.34 C ATOM 1009 O VAL A 58 12.423 6.055 3.117 1.00 3.12 O ATOM 1010 CB VAL A 58 12.065 7.947 0.100 1.00 42.54 C ATOM 1011 CG1 VAL A 58 12.937 8.536 -1.011 1.00 63.40 C ATOM 1012 CG2 VAL A 58 11.267 6.744 -0.410 1.00 52.14 C ATOM 0 H VAL A 58 13.540 5.604 0.944 1.00 51.30 H new ATOM 0 HA VAL A 58 13.402 8.481 1.651 1.00 21.42 H new ATOM 0 HB VAL A 58 11.356 8.714 0.410 1.00 42.54 H new ATOM 0 HG11 VAL A 58 12.312 8.797 -1.865 1.00 63.40 H new ATOM 0 HG12 VAL A 58 13.440 9.430 -0.643 1.00 63.40 H new ATOM 0 HG13 VAL A 58 13.681 7.801 -1.317 1.00 63.40 H new ATOM 0 HG21 VAL A 58 10.676 7.040 -1.277 1.00 52.14 H new ATOM 0 HG22 VAL A 58 11.953 5.946 -0.694 1.00 52.14 H new ATOM 0 HG23 VAL A 58 10.603 6.388 0.377 1.00 52.14 H new ATOM 1022 N ASN A 59 10.977 7.754 2.747 1.00 3.10 N ATOM 1023 CA ASN A 59 10.085 7.378 3.832 1.00 53.34 C ATOM 1024 C ASN A 59 8.767 6.867 3.248 1.00 32.55 C ATOM 1025 O ASN A 59 8.459 7.119 2.085 1.00 53.32 O ATOM 1026 CB ASN A 59 9.773 8.579 4.728 1.00 31.55 C ATOM 1027 CG ASN A 59 10.352 9.867 4.140 1.00 54.00 C ATOM 1028 OD1 ASN A 59 9.739 10.283 3.036 1.00 22.23 O flip ATOM 1029 ND2 ASN A 59 11.295 10.446 4.656 1.00 14.31 N flip ATOM 0 H ASN A 59 10.688 8.581 2.224 1.00 3.10 H new ATOM 0 HA ASN A 59 10.577 6.606 4.423 1.00 53.34 H new ATOM 0 HB2 ASN A 59 8.694 8.681 4.843 1.00 31.55 H new ATOM 0 HB3 ASN A 59 10.185 8.412 5.723 1.00 31.55 H new ATOM 0 HD21 ASN A 59 11.720 10.072 5.504 1.00 14.31 H new ATOM 0 HD22 ASN A 59 11.657 11.303 4.239 1.00 14.31 H new ATOM 1036 N MET A 60 8.022 6.159 4.084 1.00 53.42 N ATOM 1037 CA MET A 60 6.743 5.611 3.666 1.00 63.50 C ATOM 1038 C MET A 60 5.795 6.719 3.206 1.00 72.03 C ATOM 1039 O MET A 60 4.888 6.476 2.411 1.00 33.53 O ATOM 1040 CB MET A 60 6.109 4.849 4.832 1.00 54.13 C ATOM 1041 CG MET A 60 5.367 5.801 5.771 1.00 71.53 C ATOM 1042 SD MET A 60 3.697 6.051 5.193 1.00 50.24 S ATOM 1043 CE MET A 60 3.150 4.355 5.084 1.00 24.12 C ATOM 0 H MET A 60 8.280 5.952 5.049 1.00 53.42 H new ATOM 0 HA MET A 60 6.915 4.935 2.828 1.00 63.50 H new ATOM 0 HB2 MET A 60 5.417 4.099 4.448 1.00 54.13 H new ATOM 0 HB3 MET A 60 6.882 4.316 5.386 1.00 54.13 H new ATOM 0 HG2 MET A 60 5.353 5.391 6.781 1.00 71.53 H new ATOM 0 HG3 MET A 60 5.890 6.756 5.821 1.00 71.53 H new ATOM 0 HE1 MET A 60 2.060 4.323 5.087 1.00 24.12 H new ATOM 0 HE2 MET A 60 3.523 3.911 4.161 1.00 24.12 H new ATOM 0 HE3 MET A 60 3.532 3.794 5.937 1.00 24.12 H new ATOM 1053 N SER A 61 6.037 7.915 3.724 1.00 31.15 N ATOM 1054 CA SER A 61 5.217 9.062 3.375 1.00 60.52 C ATOM 1055 C SER A 61 5.261 9.298 1.864 1.00 5.42 C ATOM 1056 O SER A 61 4.221 9.430 1.222 1.00 42.35 O ATOM 1057 CB SER A 61 5.676 10.316 4.122 1.00 24.14 C ATOM 1058 OG SER A 61 5.486 11.497 3.349 1.00 33.42 O ATOM 0 H SER A 61 6.790 8.114 4.383 1.00 31.15 H new ATOM 0 HA SER A 61 4.190 8.850 3.673 1.00 60.52 H new ATOM 0 HB2 SER A 61 5.124 10.403 5.058 1.00 24.14 H new ATOM 0 HB3 SER A 61 6.730 10.218 4.381 1.00 24.14 H new ATOM 0 HG SER A 61 5.790 12.275 3.861 1.00 33.42 H new ATOM 1064 N GLU A 62 6.477 9.343 1.341 1.00 43.34 N ATOM 1065 CA GLU A 62 6.671 9.561 -0.083 1.00 62.30 C ATOM 1066 C GLU A 62 5.661 8.741 -0.888 1.00 2.22 C ATOM 1067 O GLU A 62 4.957 9.280 -1.741 1.00 1.22 O ATOM 1068 CB GLU A 62 8.106 9.225 -0.498 1.00 23.32 C ATOM 1069 CG GLU A 62 9.005 10.460 -0.410 1.00 33.21 C ATOM 1070 CD GLU A 62 8.835 11.351 -1.642 1.00 21.13 C ATOM 1071 OE1 GLU A 62 8.321 10.892 -2.672 1.00 65.32 O ATOM 1072 OE2 GLU A 62 9.260 12.561 -1.502 1.00 22.24 O ATOM 0 H GLU A 62 7.338 9.232 1.877 1.00 43.34 H new ATOM 0 HA GLU A 62 6.504 10.617 -0.296 1.00 62.30 H new ATOM 0 HB2 GLU A 62 8.500 8.438 0.145 1.00 23.32 H new ATOM 0 HB3 GLU A 62 8.113 8.838 -1.517 1.00 23.32 H new ATOM 0 HG2 GLU A 62 8.763 11.027 0.489 1.00 33.21 H new ATOM 0 HG3 GLU A 62 10.046 10.151 -0.322 1.00 33.21 H new ATOM 1080 N LEU A 63 5.622 7.451 -0.589 1.00 75.35 N ATOM 1081 CA LEU A 63 4.710 6.551 -1.274 1.00 71.31 C ATOM 1082 C LEU A 63 3.314 7.178 -1.311 1.00 34.30 C ATOM 1083 O LEU A 63 2.613 7.081 -2.317 1.00 74.31 O ATOM 1084 CB LEU A 63 4.744 5.162 -0.633 1.00 53.52 C ATOM 1085 CG LEU A 63 3.463 4.334 -0.758 1.00 3.21 C ATOM 1086 CD1 LEU A 63 3.179 3.983 -2.220 1.00 21.14 C ATOM 1087 CD2 LEU A 63 3.527 3.089 0.128 1.00 23.34 C ATOM 0 H LEU A 63 6.208 7.007 0.119 1.00 75.35 H new ATOM 0 HA LEU A 63 5.023 6.406 -2.308 1.00 71.31 H new ATOM 0 HB2 LEU A 63 5.563 4.598 -1.079 1.00 53.52 H new ATOM 0 HB3 LEU A 63 4.976 5.278 0.426 1.00 53.52 H new ATOM 0 HG LEU A 63 2.628 4.939 -0.403 1.00 3.21 H new ATOM 0 HD11 LEU A 63 2.264 3.395 -2.282 1.00 21.14 H new ATOM 0 HD12 LEU A 63 3.061 4.900 -2.798 1.00 21.14 H new ATOM 0 HD13 LEU A 63 4.010 3.404 -2.623 1.00 21.14 H new ATOM 0 HD21 LEU A 63 2.605 2.518 0.021 1.00 23.34 H new ATOM 0 HD22 LEU A 63 4.373 2.471 -0.173 1.00 23.34 H new ATOM 0 HD23 LEU A 63 3.649 3.389 1.169 1.00 23.34 H new ATOM 1099 N ILE A 64 2.953 7.805 -0.202 1.00 23.04 N ATOM 1100 CA ILE A 64 1.653 8.448 -0.094 1.00 61.52 C ATOM 1101 C ILE A 64 1.527 9.518 -1.180 1.00 62.30 C ATOM 1102 O ILE A 64 0.465 9.679 -1.778 1.00 14.00 O ATOM 1103 CB ILE A 64 1.435 8.980 1.324 1.00 21.21 C ATOM 1104 CG1 ILE A 64 1.840 7.939 2.369 1.00 50.20 C ATOM 1105 CG2 ILE A 64 -0.008 9.453 1.515 1.00 30.13 C ATOM 1106 CD1 ILE A 64 1.302 6.554 2.001 1.00 54.44 C ATOM 0 H ILE A 64 3.537 7.882 0.630 1.00 23.04 H new ATOM 0 HA ILE A 64 0.854 7.726 -0.264 1.00 61.52 H new ATOM 0 HB ILE A 64 2.080 9.847 1.467 1.00 21.21 H new ATOM 0 HG12 ILE A 64 2.926 7.902 2.448 1.00 50.20 H new ATOM 0 HG13 ILE A 64 1.459 8.233 3.347 1.00 50.20 H new ATOM 0 HG21 ILE A 64 -0.137 9.826 2.531 1.00 30.13 H new ATOM 0 HG22 ILE A 64 -0.227 10.250 0.805 1.00 30.13 H new ATOM 0 HG23 ILE A 64 -0.690 8.619 1.346 1.00 30.13 H new ATOM 0 HD11 ILE A 64 1.604 5.833 2.760 1.00 54.44 H new ATOM 0 HD12 ILE A 64 0.214 6.589 1.946 1.00 54.44 H new ATOM 0 HD13 ILE A 64 1.704 6.253 1.034 1.00 54.44 H new ATOM 1118 N LYS A 65 2.627 10.222 -1.402 1.00 65.21 N ATOM 1119 CA LYS A 65 2.654 11.274 -2.405 1.00 4.50 C ATOM 1120 C LYS A 65 2.652 10.642 -3.798 1.00 41.42 C ATOM 1121 O LYS A 65 2.016 11.158 -4.717 1.00 64.31 O ATOM 1122 CB LYS A 65 3.830 12.219 -2.159 1.00 50.41 C ATOM 1123 CG LYS A 65 3.813 12.757 -0.726 1.00 31.50 C ATOM 1124 CD LYS A 65 4.721 13.980 -0.587 1.00 14.42 C ATOM 1125 CE LYS A 65 4.391 14.768 0.681 1.00 43.24 C ATOM 1126 NZ LYS A 65 5.339 15.891 0.856 1.00 21.21 N ATOM 0 H LYS A 65 3.507 10.085 -0.904 1.00 65.21 H new ATOM 0 HA LYS A 65 1.760 11.893 -2.334 1.00 4.50 H new ATOM 0 HB2 LYS A 65 4.767 11.694 -2.343 1.00 50.41 H new ATOM 0 HB3 LYS A 65 3.787 13.050 -2.863 1.00 50.41 H new ATOM 0 HG2 LYS A 65 2.794 13.023 -0.446 1.00 31.50 H new ATOM 0 HG3 LYS A 65 4.139 11.978 -0.038 1.00 31.50 H new ATOM 0 HD2 LYS A 65 5.763 13.662 -0.561 1.00 14.42 H new ATOM 0 HD3 LYS A 65 4.606 14.623 -1.459 1.00 14.42 H new ATOM 0 HE2 LYS A 65 3.372 15.150 0.623 1.00 43.24 H new ATOM 0 HE3 LYS A 65 4.435 14.109 1.548 1.00 43.24 H new ATOM 0 HZ1 LYS A 65 5.100 16.415 1.722 1.00 21.21 H new ATOM 0 HZ2 LYS A 65 6.307 15.519 0.932 1.00 21.21 H new ATOM 0 HZ3 LYS A 65 5.277 16.529 0.037 1.00 21.21 H new ATOM 1139 N ILE A 66 3.371 9.535 -3.912 1.00 54.04 N ATOM 1140 CA ILE A 66 3.461 8.828 -5.178 1.00 32.11 C ATOM 1141 C ILE A 66 2.088 8.255 -5.536 1.00 63.23 C ATOM 1142 O ILE A 66 1.752 8.127 -6.713 1.00 3.21 O ATOM 1143 CB ILE A 66 4.571 7.777 -5.127 1.00 32.41 C ATOM 1144 CG1 ILE A 66 5.894 8.399 -4.676 1.00 34.42 C ATOM 1145 CG2 ILE A 66 4.706 7.056 -6.471 1.00 33.32 C ATOM 1146 CD1 ILE A 66 6.492 9.276 -5.778 1.00 42.45 C ATOM 0 H ILE A 66 3.897 9.110 -3.148 1.00 54.04 H new ATOM 0 HA ILE A 66 3.739 9.514 -5.978 1.00 32.11 H new ATOM 0 HB ILE A 66 4.297 7.027 -4.385 1.00 32.41 H new ATOM 0 HG12 ILE A 66 5.732 8.996 -3.779 1.00 34.42 H new ATOM 0 HG13 ILE A 66 6.599 7.611 -4.411 1.00 34.42 H new ATOM 0 HG21 ILE A 66 5.502 6.314 -6.408 1.00 33.32 H new ATOM 0 HG22 ILE A 66 3.766 6.560 -6.714 1.00 33.32 H new ATOM 0 HG23 ILE A 66 4.946 7.780 -7.250 1.00 33.32 H new ATOM 0 HD11 ILE A 66 7.432 9.706 -5.431 1.00 42.45 H new ATOM 0 HD12 ILE A 66 6.676 8.670 -6.666 1.00 42.45 H new ATOM 0 HD13 ILE A 66 5.795 10.077 -6.023 1.00 42.45 H new ATOM 1158 N ILE A 67 1.331 7.927 -4.500 1.00 34.24 N ATOM 1159 CA ILE A 67 0.002 7.371 -4.690 1.00 32.34 C ATOM 1160 C ILE A 67 -0.968 8.494 -5.063 1.00 73.40 C ATOM 1161 O ILE A 67 -1.451 8.554 -6.192 1.00 52.31 O ATOM 1162 CB ILE A 67 -0.426 6.573 -3.457 1.00 45.44 C ATOM 1163 CG1 ILE A 67 0.398 5.291 -3.319 1.00 52.04 C ATOM 1164 CG2 ILE A 67 -1.929 6.286 -3.484 1.00 30.32 C ATOM 1165 CD1 ILE A 67 0.022 4.278 -4.403 1.00 74.11 C ATOM 0 H ILE A 67 1.613 8.036 -3.526 1.00 34.24 H new ATOM 0 HA ILE A 67 0.001 6.661 -5.517 1.00 32.34 H new ATOM 0 HB ILE A 67 -0.229 7.180 -2.573 1.00 45.44 H new ATOM 0 HG12 ILE A 67 1.460 5.527 -3.390 1.00 52.04 H new ATOM 0 HG13 ILE A 67 0.234 4.853 -2.334 1.00 52.04 H new ATOM 0 HG21 ILE A 67 -2.207 5.718 -2.596 1.00 30.32 H new ATOM 0 HG22 ILE A 67 -2.479 7.227 -3.499 1.00 30.32 H new ATOM 0 HG23 ILE A 67 -2.173 5.709 -4.376 1.00 30.32 H new ATOM 0 HD11 ILE A 67 0.622 3.376 -4.282 1.00 74.11 H new ATOM 0 HD12 ILE A 67 -1.035 4.025 -4.314 1.00 74.11 H new ATOM 0 HD13 ILE A 67 0.210 4.710 -5.386 1.00 74.11 H new ATOM 1177 N ARG A 68 -1.225 9.357 -4.090 1.00 44.40 N ATOM 1178 CA ARG A 68 -2.129 10.475 -4.302 1.00 13.42 C ATOM 1179 C ARG A 68 -1.832 11.150 -5.643 1.00 51.22 C ATOM 1180 O ARG A 68 -2.750 11.538 -6.364 1.00 0.23 O ATOM 1181 CB ARG A 68 -2.000 11.507 -3.180 1.00 13.44 C ATOM 1182 CG ARG A 68 -0.714 12.321 -3.327 1.00 12.22 C ATOM 1183 CD ARG A 68 -0.485 13.212 -2.104 1.00 24.23 C ATOM 1184 NE ARG A 68 -1.462 14.323 -2.097 1.00 63.13 N ATOM 1185 CZ ARG A 68 -1.765 15.057 -1.005 1.00 75.11 C ATOM 1186 NH1 ARG A 68 -1.167 14.804 0.178 1.00 73.42 N ATOM 1187 NH2 ARG A 68 -2.653 16.027 -1.113 1.00 64.55 N ATOM 0 H ARG A 68 -0.823 9.304 -3.154 1.00 44.40 H new ATOM 0 HA ARG A 68 -3.146 10.084 -4.305 1.00 13.42 H new ATOM 0 HB2 ARG A 68 -2.861 12.175 -3.195 1.00 13.44 H new ATOM 0 HB3 ARG A 68 -2.006 11.002 -2.214 1.00 13.44 H new ATOM 0 HG2 ARG A 68 0.134 11.648 -3.455 1.00 12.22 H new ATOM 0 HG3 ARG A 68 -0.770 12.937 -4.225 1.00 12.22 H new ATOM 0 HD2 ARG A 68 -0.584 12.624 -1.192 1.00 24.23 H new ATOM 0 HD3 ARG A 68 0.530 13.609 -2.118 1.00 24.23 H new ATOM 0 HE ARG A 68 -1.936 14.548 -2.971 1.00 63.13 H new ATOM 0 HH11 ARG A 68 -0.480 14.053 0.252 1.00 73.42 H new ATOM 0 HH12 ARG A 68 -1.402 15.363 0.998 1.00 73.42 H new ATOM 0 HH21 ARG A 68 -3.099 16.213 -2.011 1.00 64.55 H new ATOM 0 HH22 ARG A 68 -2.894 16.591 -0.298 1.00 64.55 H new ATOM 1200 N ARG A 69 -0.546 11.273 -5.936 1.00 52.40 N ATOM 1201 CA ARG A 69 -0.117 11.895 -7.177 1.00 45.24 C ATOM 1202 C ARG A 69 -0.647 11.106 -8.377 1.00 0.14 C ATOM 1203 O ARG A 69 -1.023 11.691 -9.392 1.00 4.20 O ATOM 1204 CB ARG A 69 1.409 11.968 -7.258 1.00 70.32 C ATOM 1205 CG ARG A 69 1.947 13.131 -6.422 1.00 44.21 C ATOM 1206 CD ARG A 69 1.968 14.427 -7.234 1.00 0.22 C ATOM 1207 NE ARG A 69 1.720 15.585 -6.346 1.00 10.40 N ATOM 1208 CZ ARG A 69 1.194 16.758 -6.760 1.00 73.23 C ATOM 1209 NH1 ARG A 69 0.856 16.938 -8.054 1.00 43.44 N ATOM 1210 NH2 ARG A 69 1.017 17.725 -5.879 1.00 11.44 N ATOM 0 H ARG A 69 0.213 10.952 -5.335 1.00 52.40 H new ATOM 0 HA ARG A 69 -0.519 12.908 -7.197 1.00 45.24 H new ATOM 0 HB2 ARG A 69 1.841 11.031 -6.905 1.00 70.32 H new ATOM 0 HB3 ARG A 69 1.716 12.089 -8.297 1.00 70.32 H new ATOM 0 HG2 ARG A 69 1.327 13.263 -5.535 1.00 44.21 H new ATOM 0 HG3 ARG A 69 2.954 12.899 -6.075 1.00 44.21 H new ATOM 0 HD2 ARG A 69 2.932 14.539 -7.731 1.00 0.22 H new ATOM 0 HD3 ARG A 69 1.209 14.388 -8.016 1.00 0.22 H new ATOM 0 HE ARG A 69 1.962 15.491 -5.359 1.00 10.40 H new ATOM 0 HH11 ARG A 69 0.997 16.185 -8.727 1.00 43.44 H new ATOM 0 HH12 ARG A 69 0.459 17.827 -8.359 1.00 43.44 H new ATOM 0 HH21 ARG A 69 1.276 17.580 -4.903 1.00 11.44 H new ATOM 0 HH22 ARG A 69 0.621 18.617 -6.174 1.00 11.44 H new ATOM 1223 N ARG A 70 -0.660 9.791 -8.222 1.00 44.14 N ATOM 1224 CA ARG A 70 -1.138 8.916 -9.279 1.00 12.55 C ATOM 1225 C ARG A 70 -2.649 9.077 -9.459 1.00 23.22 C ATOM 1226 O ARG A 70 -3.129 9.253 -10.578 1.00 5.20 O ATOM 1227 CB ARG A 70 -0.822 7.453 -8.968 1.00 25.13 C ATOM 1228 CG ARG A 70 0.571 7.073 -9.475 1.00 50.40 C ATOM 1229 CD ARG A 70 1.024 5.735 -8.886 1.00 24.25 C ATOM 1230 NE ARG A 70 1.746 4.949 -9.911 1.00 54.32 N ATOM 1231 CZ ARG A 70 2.951 5.289 -10.415 1.00 71.15 C ATOM 1232 NH1 ARG A 70 3.581 6.406 -9.992 1.00 51.00 N ATOM 1233 NH2 ARG A 70 3.506 4.513 -11.327 1.00 40.12 N ATOM 0 H ARG A 70 -0.347 9.309 -7.379 1.00 44.14 H new ATOM 0 HA ARG A 70 -0.627 9.198 -10.199 1.00 12.55 H new ATOM 0 HB2 ARG A 70 -0.880 7.285 -7.892 1.00 25.13 H new ATOM 0 HB3 ARG A 70 -1.570 6.809 -9.431 1.00 25.13 H new ATOM 0 HG2 ARG A 70 0.561 7.010 -10.563 1.00 50.40 H new ATOM 0 HG3 ARG A 70 1.284 7.852 -9.207 1.00 50.40 H new ATOM 0 HD2 ARG A 70 1.671 5.907 -8.026 1.00 24.25 H new ATOM 0 HD3 ARG A 70 0.160 5.175 -8.528 1.00 24.25 H new ATOM 0 HE ARG A 70 1.306 4.097 -10.258 1.00 54.32 H new ATOM 0 HH11 ARG A 70 3.146 7.000 -9.286 1.00 51.00 H new ATOM 0 HH12 ARG A 70 4.491 6.655 -10.378 1.00 51.00 H new ATOM 0 HH21 ARG A 70 3.025 3.670 -11.641 1.00 40.12 H new ATOM 0 HH22 ARG A 70 4.416 4.756 -11.718 1.00 40.12 H new ATOM 1246 N LEU A 71 -3.356 9.014 -8.341 1.00 54.34 N ATOM 1247 CA LEU A 71 -4.803 9.150 -8.361 1.00 61.25 C ATOM 1248 C LEU A 71 -5.173 10.531 -8.907 1.00 45.53 C ATOM 1249 O LEU A 71 -6.311 10.756 -9.316 1.00 31.41 O ATOM 1250 CB LEU A 71 -5.388 8.860 -6.977 1.00 11.24 C ATOM 1251 CG LEU A 71 -5.190 7.438 -6.451 1.00 72.23 C ATOM 1252 CD1 LEU A 71 -5.173 7.416 -4.921 1.00 40.55 C ATOM 1253 CD2 LEU A 71 -6.245 6.489 -7.025 1.00 31.15 C ATOM 0 H LEU A 71 -2.954 8.871 -7.415 1.00 54.34 H new ATOM 0 HA LEU A 71 -5.246 8.412 -9.030 1.00 61.25 H new ATOM 0 HB2 LEU A 71 -4.945 9.555 -6.264 1.00 11.24 H new ATOM 0 HB3 LEU A 71 -6.457 9.070 -7.005 1.00 11.24 H new ATOM 0 HG LEU A 71 -4.217 7.082 -6.789 1.00 72.23 H new ATOM 0 HD11 LEU A 71 -5.031 6.393 -4.573 1.00 40.55 H new ATOM 0 HD12 LEU A 71 -4.356 8.040 -4.557 1.00 40.55 H new ATOM 0 HD13 LEU A 71 -6.120 7.800 -4.541 1.00 40.55 H new ATOM 0 HD21 LEU A 71 -6.081 5.484 -6.635 1.00 31.15 H new ATOM 0 HD22 LEU A 71 -7.239 6.833 -6.737 1.00 31.15 H new ATOM 0 HD23 LEU A 71 -6.167 6.473 -8.112 1.00 31.15 H new ATOM 1265 N GLN A 72 -4.189 11.419 -8.898 1.00 1.14 N ATOM 1266 CA GLN A 72 -4.397 12.771 -9.388 1.00 2.32 C ATOM 1267 C GLN A 72 -5.780 13.277 -8.976 1.00 41.52 C ATOM 1268 O GLN A 72 -6.536 13.776 -9.809 1.00 73.52 O ATOM 1269 CB GLN A 72 -4.218 12.837 -10.906 1.00 45.04 C ATOM 1270 CG GLN A 72 -5.113 11.813 -11.608 1.00 10.21 C ATOM 1271 CD GLN A 72 -5.002 11.941 -13.129 1.00 21.30 C ATOM 1272 OE1 GLN A 72 -5.145 13.009 -13.700 1.00 5.54 O ATOM 1273 NE2 GLN A 72 -4.738 10.794 -13.750 1.00 53.14 N ATOM 0 H GLN A 72 -3.246 11.228 -8.559 1.00 1.14 H new ATOM 0 HA GLN A 72 -3.646 13.420 -8.938 1.00 2.32 H new ATOM 0 HB2 GLN A 72 -4.458 13.839 -11.261 1.00 45.04 H new ATOM 0 HB3 GLN A 72 -3.175 12.650 -11.161 1.00 45.04 H new ATOM 0 HG2 GLN A 72 -4.829 10.806 -11.302 1.00 10.21 H new ATOM 0 HG3 GLN A 72 -6.149 11.959 -11.302 1.00 10.21 H new ATOM 0 HE21 GLN A 72 -4.630 9.935 -13.211 1.00 53.14 H new ATOM 0 HE22 GLN A 72 -4.643 10.774 -14.765 1.00 53.14 H new ATOM 1282 N LEU A 73 -6.070 13.133 -7.691 1.00 45.22 N ATOM 1283 CA LEU A 73 -7.349 13.571 -7.158 1.00 53.22 C ATOM 1284 C LEU A 73 -7.316 15.085 -6.944 1.00 1.12 C ATOM 1285 O LEU A 73 -6.317 15.737 -7.244 1.00 24.52 O ATOM 1286 CB LEU A 73 -7.704 12.779 -5.898 1.00 60.03 C ATOM 1287 CG LEU A 73 -7.517 11.263 -5.984 1.00 42.11 C ATOM 1288 CD1 LEU A 73 -7.086 10.687 -4.634 1.00 2.10 C ATOM 1289 CD2 LEU A 73 -8.780 10.585 -6.519 1.00 40.04 C ATOM 0 H LEU A 73 -5.441 12.719 -7.003 1.00 45.22 H new ATOM 0 HA LEU A 73 -8.148 13.367 -7.870 1.00 53.22 H new ATOM 0 HB2 LEU A 73 -7.097 13.154 -5.074 1.00 60.03 H new ATOM 0 HB3 LEU A 73 -8.745 12.983 -5.646 1.00 60.03 H new ATOM 0 HG LEU A 73 -6.715 11.057 -6.693 1.00 42.11 H new ATOM 0 HD11 LEU A 73 -6.960 9.608 -4.722 1.00 2.10 H new ATOM 0 HD12 LEU A 73 -6.142 11.139 -4.330 1.00 2.10 H new ATOM 0 HD13 LEU A 73 -7.849 10.903 -3.886 1.00 2.10 H new ATOM 0 HD21 LEU A 73 -8.621 9.508 -6.570 1.00 40.04 H new ATOM 0 HD22 LEU A 73 -9.617 10.797 -5.853 1.00 40.04 H new ATOM 0 HD23 LEU A 73 -9.004 10.967 -7.515 1.00 40.04 H new ATOM 1301 N ASN A 74 -8.422 15.602 -6.429 1.00 35.22 N ATOM 1302 CA ASN A 74 -8.534 17.027 -6.172 1.00 74.20 C ATOM 1303 C ASN A 74 -8.230 17.300 -4.697 1.00 51.40 C ATOM 1304 O ASN A 74 -8.038 16.369 -3.917 1.00 1.13 O ATOM 1305 CB ASN A 74 -9.948 17.532 -6.464 1.00 44.21 C ATOM 1306 CG ASN A 74 -9.934 19.011 -6.853 1.00 42.24 C ATOM 1307 OD1 ASN A 74 -9.974 19.900 -6.018 1.00 33.31 O ATOM 1308 ND2 ASN A 74 -9.874 19.226 -8.163 1.00 1.30 N ATOM 0 H ASN A 74 -9.249 15.058 -6.183 1.00 35.22 H new ATOM 0 HA ASN A 74 -7.827 17.542 -6.822 1.00 74.20 H new ATOM 0 HB2 ASN A 74 -10.388 16.945 -7.270 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -10.577 17.390 -5.585 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -9.859 20.180 -8.523 1.00 1.30 H new ATOM 0 HD22 ASN A 74 -9.843 18.437 -8.808 1.00 1.30 H new ATOM 1315 N ALA A 75 -8.194 18.581 -4.360 1.00 12.11 N ATOM 1316 CA ALA A 75 -7.917 18.989 -2.993 1.00 24.42 C ATOM 1317 C ALA A 75 -9.111 18.630 -2.107 1.00 44.43 C ATOM 1318 O ALA A 75 -8.963 18.463 -0.897 1.00 11.42 O ATOM 1319 CB ALA A 75 -7.595 20.484 -2.961 1.00 14.40 C ATOM 0 H ALA A 75 -8.352 19.350 -5.011 1.00 12.11 H new ATOM 0 HA ALA A 75 -7.047 18.461 -2.604 1.00 24.42 H new ATOM 0 HB1 ALA A 75 -7.387 20.790 -1.936 1.00 14.40 H new ATOM 0 HB2 ALA A 75 -6.722 20.681 -3.582 1.00 14.40 H new ATOM 0 HB3 ALA A 75 -8.446 21.048 -3.342 1.00 14.40 H new ATOM 1325 N ASN A 76 -10.269 18.524 -2.743 1.00 1.33 N ATOM 1326 CA ASN A 76 -11.488 18.188 -2.027 1.00 24.12 C ATOM 1327 C ASN A 76 -11.505 16.687 -1.734 1.00 74.34 C ATOM 1328 O ASN A 76 -11.947 16.264 -0.666 1.00 61.04 O ATOM 1329 CB ASN A 76 -12.726 18.522 -2.862 1.00 13.50 C ATOM 1330 CG ASN A 76 -12.724 19.992 -3.282 1.00 64.51 C ATOM 1331 OD1 ASN A 76 -12.344 20.879 -2.534 1.00 13.31 O ATOM 1332 ND2 ASN A 76 -13.167 20.202 -4.518 1.00 33.55 N ATOM 0 H ASN A 76 -10.389 18.665 -3.746 1.00 1.33 H new ATOM 0 HA ASN A 76 -11.508 18.768 -1.104 1.00 24.12 H new ATOM 0 HB2 ASN A 76 -12.754 17.887 -3.748 1.00 13.50 H new ATOM 0 HB3 ASN A 76 -13.626 18.306 -2.287 1.00 13.50 H new ATOM 0 HD21 ASN A 76 -13.204 21.150 -4.892 1.00 33.55 H new ATOM 0 HD22 ASN A 76 -13.470 19.415 -5.092 1.00 33.55 H new ATOM 1339 N GLN A 77 -11.020 15.922 -2.700 1.00 5.11 N ATOM 1340 CA GLN A 77 -10.974 14.476 -2.559 1.00 23.14 C ATOM 1341 C GLN A 77 -10.019 14.083 -1.430 1.00 75.30 C ATOM 1342 O GLN A 77 -8.985 14.720 -1.238 1.00 22.03 O ATOM 1343 CB GLN A 77 -10.571 13.809 -3.875 1.00 64.02 C ATOM 1344 CG GLN A 77 -11.208 12.424 -4.007 1.00 4.53 C ATOM 1345 CD GLN A 77 -10.670 11.470 -2.938 1.00 63.11 C ATOM 1346 OE1 GLN A 77 -9.490 11.167 -2.877 1.00 32.13 O ATOM 1347 NE2 GLN A 77 -11.599 11.016 -2.101 1.00 2.12 N ATOM 0 H GLN A 77 -10.655 16.276 -3.584 1.00 5.11 H new ATOM 0 HA GLN A 77 -11.973 14.124 -2.303 1.00 23.14 H new ATOM 0 HB2 GLN A 77 -10.878 14.435 -4.713 1.00 64.02 H new ATOM 0 HB3 GLN A 77 -9.486 13.720 -3.924 1.00 64.02 H new ATOM 0 HG2 GLN A 77 -12.291 12.507 -3.914 1.00 4.53 H new ATOM 0 HG3 GLN A 77 -11.004 12.018 -4.998 1.00 4.53 H new ATOM 0 HE21 GLN A 77 -12.570 11.310 -2.208 1.00 2.12 H new ATOM 0 HE22 GLN A 77 -11.341 10.374 -1.352 1.00 2.12 H new ATOM 1356 N ALA A 78 -10.400 13.036 -0.714 1.00 0.35 N ATOM 1357 CA ALA A 78 -9.590 12.550 0.390 1.00 43.41 C ATOM 1358 C ALA A 78 -9.027 11.172 0.037 1.00 61.31 C ATOM 1359 O ALA A 78 -9.723 10.345 -0.550 1.00 75.30 O ATOM 1360 CB ALA A 78 -10.432 12.525 1.668 1.00 61.34 C ATOM 0 H ALA A 78 -11.259 12.510 -0.877 1.00 0.35 H new ATOM 0 HA ALA A 78 -8.745 13.215 0.568 1.00 43.41 H new ATOM 0 HB1 ALA A 78 -9.825 12.160 2.497 1.00 61.34 H new ATOM 0 HB2 ALA A 78 -10.784 13.532 1.892 1.00 61.34 H new ATOM 0 HB3 ALA A 78 -11.288 11.865 1.527 1.00 61.34 H new ATOM 1366 N PHE A 79 -7.772 10.968 0.409 1.00 75.54 N ATOM 1367 CA PHE A 79 -7.107 9.705 0.139 1.00 50.43 C ATOM 1368 C PHE A 79 -6.196 9.305 1.301 1.00 43.02 C ATOM 1369 O PHE A 79 -5.478 10.141 1.848 1.00 63.34 O ATOM 1370 CB PHE A 79 -6.255 9.907 -1.116 1.00 54.22 C ATOM 1371 CG PHE A 79 -4.966 9.084 -1.132 1.00 64.41 C ATOM 1372 CD1 PHE A 79 -5.027 7.727 -1.210 1.00 44.31 C ATOM 1373 CD2 PHE A 79 -3.759 9.707 -1.070 1.00 41.31 C ATOM 1374 CE1 PHE A 79 -3.830 6.962 -1.226 1.00 23.15 C ATOM 1375 CE2 PHE A 79 -2.563 8.943 -1.085 1.00 70.15 C ATOM 1376 CZ PHE A 79 -2.623 7.586 -1.163 1.00 20.55 C ATOM 0 H PHE A 79 -7.198 11.657 0.895 1.00 75.54 H new ATOM 0 HA PHE A 79 -7.847 8.916 0.005 1.00 50.43 H new ATOM 0 HB2 PHE A 79 -6.850 9.648 -1.992 1.00 54.22 H new ATOM 0 HB3 PHE A 79 -6.001 10.963 -1.204 1.00 54.22 H new ATOM 0 HD1 PHE A 79 -5.985 7.231 -1.260 1.00 44.31 H new ATOM 0 HD2 PHE A 79 -3.710 10.784 -1.009 1.00 41.31 H new ATOM 0 HE1 PHE A 79 -3.878 5.885 -1.288 1.00 23.15 H new ATOM 0 HE2 PHE A 79 -1.605 9.439 -1.034 1.00 70.15 H new ATOM 0 HZ PHE A 79 -1.713 7.005 -1.175 1.00 20.55 H new ATOM 1386 N PHE A 80 -6.254 8.026 1.644 1.00 13.24 N ATOM 1387 CA PHE A 80 -5.443 7.505 2.731 1.00 53.43 C ATOM 1388 C PHE A 80 -4.950 6.090 2.418 1.00 1.31 C ATOM 1389 O PHE A 80 -5.720 5.250 1.955 1.00 11.12 O ATOM 1390 CB PHE A 80 -6.335 7.460 3.973 1.00 51.05 C ATOM 1391 CG PHE A 80 -6.411 8.786 4.733 1.00 52.55 C ATOM 1392 CD1 PHE A 80 -5.301 9.288 5.337 1.00 20.11 C ATOM 1393 CD2 PHE A 80 -7.589 9.462 4.804 1.00 23.51 C ATOM 1394 CE1 PHE A 80 -5.372 10.519 6.042 1.00 2.11 C ATOM 1395 CE2 PHE A 80 -7.660 10.692 5.509 1.00 25.31 C ATOM 1396 CZ PHE A 80 -6.551 11.195 6.113 1.00 53.22 C ATOM 0 H PHE A 80 -6.850 7.335 1.188 1.00 13.24 H new ATOM 0 HA PHE A 80 -4.570 8.140 2.881 1.00 53.43 H new ATOM 0 HB2 PHE A 80 -7.341 7.166 3.675 1.00 51.05 H new ATOM 0 HB3 PHE A 80 -5.964 6.688 4.647 1.00 51.05 H new ATOM 0 HD1 PHE A 80 -4.366 8.751 5.281 1.00 20.11 H new ATOM 0 HD2 PHE A 80 -8.470 9.063 4.324 1.00 23.51 H new ATOM 0 HE1 PHE A 80 -4.491 10.918 6.522 1.00 2.11 H new ATOM 0 HE2 PHE A 80 -8.596 11.228 5.566 1.00 25.31 H new ATOM 0 HZ PHE A 80 -6.606 12.131 6.649 1.00 53.22 H new ATOM 1406 N LEU A 81 -3.671 5.871 2.685 1.00 13.24 N ATOM 1407 CA LEU A 81 -3.067 4.572 2.439 1.00 10.45 C ATOM 1408 C LEU A 81 -2.998 3.790 3.751 1.00 41.41 C ATOM 1409 O LEU A 81 -2.281 4.177 4.673 1.00 2.13 O ATOM 1410 CB LEU A 81 -1.712 4.734 1.747 1.00 51.24 C ATOM 1411 CG LEU A 81 -1.119 3.466 1.129 1.00 41.44 C ATOM 1412 CD1 LEU A 81 -2.193 2.392 0.945 1.00 70.10 C ATOM 1413 CD2 LEU A 81 -0.395 3.783 -0.181 1.00 32.24 C ATOM 0 H LEU A 81 -3.036 6.571 3.069 1.00 13.24 H new ATOM 0 HA LEU A 81 -3.682 3.990 1.753 1.00 10.45 H new ATOM 0 HB2 LEU A 81 -1.814 5.483 0.962 1.00 51.24 H new ATOM 0 HB3 LEU A 81 -1.000 5.128 2.473 1.00 51.24 H new ATOM 0 HG LEU A 81 -0.377 3.064 1.819 1.00 41.44 H new ATOM 0 HD11 LEU A 81 -1.745 1.501 0.504 1.00 70.10 H new ATOM 0 HD12 LEU A 81 -2.625 2.140 1.913 1.00 70.10 H new ATOM 0 HD13 LEU A 81 -2.975 2.769 0.286 1.00 70.10 H new ATOM 0 HD21 LEU A 81 0.017 2.865 -0.600 1.00 32.24 H new ATOM 0 HD22 LEU A 81 -1.099 4.221 -0.889 1.00 32.24 H new ATOM 0 HD23 LEU A 81 0.413 4.489 0.011 1.00 32.24 H new ATOM 1425 N LEU A 82 -3.754 2.702 3.795 1.00 11.13 N ATOM 1426 CA LEU A 82 -3.788 1.861 4.979 1.00 2.41 C ATOM 1427 C LEU A 82 -2.747 0.749 4.839 1.00 23.30 C ATOM 1428 O LEU A 82 -2.912 -0.162 4.028 1.00 74.12 O ATOM 1429 CB LEU A 82 -5.207 1.348 5.232 1.00 22.52 C ATOM 1430 CG LEU A 82 -6.223 2.391 5.705 1.00 4.22 C ATOM 1431 CD1 LEU A 82 -5.663 3.216 6.864 1.00 24.35 C ATOM 1432 CD2 LEU A 82 -6.684 3.273 4.542 1.00 2.33 C ATOM 0 H LEU A 82 -4.348 2.384 3.029 1.00 11.13 H new ATOM 0 HA LEU A 82 -3.521 2.438 5.864 1.00 2.41 H new ATOM 0 HB2 LEU A 82 -5.579 0.899 4.311 1.00 22.52 H new ATOM 0 HB3 LEU A 82 -5.158 0.554 5.977 1.00 22.52 H new ATOM 0 HG LEU A 82 -7.102 1.867 6.080 1.00 4.22 H new ATOM 0 HD11 LEU A 82 -6.405 3.949 7.181 1.00 24.35 H new ATOM 0 HD12 LEU A 82 -5.426 2.556 7.699 1.00 24.35 H new ATOM 0 HD13 LEU A 82 -4.759 3.731 6.540 1.00 24.35 H new ATOM 0 HD21 LEU A 82 -7.405 4.005 4.905 1.00 2.33 H new ATOM 0 HD22 LEU A 82 -5.825 3.790 4.115 1.00 2.33 H new ATOM 0 HD23 LEU A 82 -7.151 2.652 3.777 1.00 2.33 H new ATOM 1444 N VAL A 83 -1.699 0.858 5.642 1.00 23.42 N ATOM 1445 CA VAL A 83 -0.632 -0.128 5.618 1.00 54.23 C ATOM 1446 C VAL A 83 -1.058 -1.353 6.429 1.00 0.12 C ATOM 1447 O VAL A 83 -1.188 -1.281 7.650 1.00 11.13 O ATOM 1448 CB VAL A 83 0.670 0.498 6.120 1.00 55.34 C ATOM 1449 CG1 VAL A 83 1.631 -0.574 6.638 1.00 75.33 C ATOM 1450 CG2 VAL A 83 1.328 1.342 5.027 1.00 25.30 C ATOM 0 H VAL A 83 -1.566 1.614 6.313 1.00 23.42 H new ATOM 0 HA VAL A 83 -0.444 -0.463 4.598 1.00 54.23 H new ATOM 0 HB VAL A 83 0.425 1.158 6.952 1.00 55.34 H new ATOM 0 HG11 VAL A 83 2.548 -0.101 6.989 1.00 75.33 H new ATOM 0 HG12 VAL A 83 1.164 -1.114 7.461 1.00 75.33 H new ATOM 0 HG13 VAL A 83 1.866 -1.271 5.834 1.00 75.33 H new ATOM 0 HG21 VAL A 83 2.252 1.776 5.409 1.00 25.30 H new ATOM 0 HG22 VAL A 83 1.552 0.712 4.166 1.00 25.30 H new ATOM 0 HG23 VAL A 83 0.650 2.140 4.726 1.00 25.30 H new ATOM 1460 N ASN A 84 -1.263 -2.452 5.717 1.00 71.21 N ATOM 1461 CA ASN A 84 -1.671 -3.692 6.356 1.00 22.42 C ATOM 1462 C ASN A 84 -3.104 -3.548 6.872 1.00 41.23 C ATOM 1463 O ASN A 84 -3.602 -4.418 7.584 1.00 15.22 O ATOM 1464 CB ASN A 84 -0.770 -4.021 7.547 1.00 70.52 C ATOM 1465 CG ASN A 84 0.000 -5.321 7.310 1.00 20.31 C ATOM 1466 OD1 ASN A 84 1.230 -5.143 6.835 1.00 32.51 O flip ATOM 1467 ND2 ASN A 84 -0.489 -6.415 7.543 1.00 73.33 N flip ATOM 0 H ASN A 84 -1.154 -2.509 4.704 1.00 71.21 H new ATOM 0 HA ASN A 84 -1.598 -4.491 5.618 1.00 22.42 H new ATOM 0 HB2 ASN A 84 -0.068 -3.204 7.713 1.00 70.52 H new ATOM 0 HB3 ASN A 84 -1.374 -4.111 8.450 1.00 70.52 H new ATOM 0 HD21 ASN A 84 -1.439 -6.482 7.907 1.00 73.33 H new ATOM 0 HD22 ASN A 84 0.053 -7.262 7.374 1.00 73.33 H new ATOM 1474 N GLY A 85 -3.727 -2.441 6.494 1.00 4.15 N ATOM 1475 CA GLY A 85 -5.093 -2.171 6.909 1.00 4.21 C ATOM 1476 C GLY A 85 -5.127 -1.142 8.042 1.00 61.15 C ATOM 1477 O GLY A 85 -6.167 -0.937 8.667 1.00 20.01 O ATOM 0 H GLY A 85 -3.310 -1.720 5.904 1.00 4.15 H new ATOM 0 HA2 GLY A 85 -5.669 -1.802 6.060 1.00 4.21 H new ATOM 0 HA3 GLY A 85 -5.567 -3.096 7.238 1.00 4.21 H new ATOM 1481 N HIS A 86 -3.979 -0.522 8.270 1.00 25.23 N ATOM 1482 CA HIS A 86 -3.865 0.480 9.315 1.00 11.12 C ATOM 1483 C HIS A 86 -3.160 1.721 8.764 1.00 50.33 C ATOM 1484 O HIS A 86 -2.240 1.608 7.955 1.00 50.41 O ATOM 1485 CB HIS A 86 -3.169 -0.097 10.549 1.00 31.02 C ATOM 1486 CG HIS A 86 -1.832 -0.734 10.257 1.00 33.33 C ATOM 1487 ND1 HIS A 86 -0.728 -0.007 9.846 1.00 72.14 N ATOM 1488 CD2 HIS A 86 -1.431 -2.037 10.322 1.00 74.02 C ATOM 1489 CE1 HIS A 86 0.284 -0.844 9.673 1.00 52.33 C ATOM 1490 NE2 HIS A 86 -0.154 -2.101 9.967 1.00 4.14 N ATOM 0 H HIS A 86 -3.119 -0.694 7.749 1.00 25.23 H new ATOM 0 HA HIS A 86 -4.860 0.784 9.640 1.00 11.12 H new ATOM 0 HB2 HIS A 86 -3.029 0.699 11.280 1.00 31.02 H new ATOM 0 HB3 HIS A 86 -3.822 -0.840 11.008 1.00 31.02 H new ATOM 0 HD2 HIS A 86 -2.048 -2.874 10.613 1.00 74.02 H new ATOM 0 HE1 HIS A 86 1.281 -0.577 9.355 1.00 52.33 H new ATOM 0 HE2 HIS A 86 0.408 -2.951 9.922 1.00 4.14 H new ATOM 1498 N SER A 87 -3.618 2.876 9.222 1.00 21.12 N ATOM 1499 CA SER A 87 -3.042 4.137 8.783 1.00 35.33 C ATOM 1500 C SER A 87 -1.546 4.167 9.101 1.00 12.03 C ATOM 1501 O SER A 87 -1.053 3.335 9.862 1.00 44.20 O ATOM 1502 CB SER A 87 -3.750 5.323 9.441 1.00 21.01 C ATOM 1503 OG SER A 87 -4.530 4.924 10.564 1.00 72.54 O ATOM 0 H SER A 87 -4.381 2.966 9.893 1.00 21.12 H new ATOM 0 HA SER A 87 -3.179 4.220 7.705 1.00 35.33 H new ATOM 0 HB2 SER A 87 -3.009 6.057 9.757 1.00 21.01 H new ATOM 0 HB3 SER A 87 -4.392 5.813 8.709 1.00 21.01 H new ATOM 0 HG SER A 87 -5.390 4.569 10.256 1.00 72.54 H new ATOM 1509 N MET A 88 -0.867 5.135 8.505 1.00 23.44 N ATOM 1510 CA MET A 88 0.563 5.286 8.716 1.00 70.11 C ATOM 1511 C MET A 88 0.874 6.587 9.458 1.00 34.21 C ATOM 1512 O MET A 88 2.031 6.997 9.542 1.00 30.24 O ATOM 1513 CB MET A 88 1.281 5.284 7.364 1.00 23.21 C ATOM 1514 CG MET A 88 0.435 5.976 6.293 1.00 12.04 C ATOM 1515 SD MET A 88 0.085 7.656 6.782 1.00 73.31 S ATOM 1516 CE MET A 88 -1.666 7.719 6.443 1.00 51.33 C ATOM 0 H MET A 88 -1.280 5.823 7.876 1.00 23.44 H new ATOM 0 HA MET A 88 0.912 4.452 9.324 1.00 70.11 H new ATOM 0 HB2 MET A 88 2.241 5.791 7.458 1.00 23.21 H new ATOM 0 HB3 MET A 88 1.490 4.258 7.061 1.00 23.21 H new ATOM 0 HG2 MET A 88 0.963 5.969 5.340 1.00 12.04 H new ATOM 0 HG3 MET A 88 -0.497 5.430 6.145 1.00 12.04 H new ATOM 0 HE1 MET A 88 -1.935 8.719 6.104 1.00 51.33 H new ATOM 0 HE2 MET A 88 -1.913 6.995 5.667 1.00 51.33 H new ATOM 0 HE3 MET A 88 -2.221 7.481 7.350 1.00 51.33 H new ATOM 1526 N VAL A 89 -0.179 7.200 9.978 1.00 62.44 N ATOM 1527 CA VAL A 89 -0.032 8.447 10.710 1.00 62.21 C ATOM 1528 C VAL A 89 1.224 8.377 11.580 1.00 24.13 C ATOM 1529 O VAL A 89 1.468 7.371 12.245 1.00 1.15 O ATOM 1530 CB VAL A 89 -1.302 8.733 11.515 1.00 72.11 C ATOM 1531 CG1 VAL A 89 -1.505 7.685 12.610 1.00 53.23 C ATOM 1532 CG2 VAL A 89 -1.270 10.144 12.105 1.00 72.21 C ATOM 0 H VAL A 89 -1.137 6.857 9.907 1.00 62.44 H new ATOM 0 HA VAL A 89 0.096 9.282 10.021 1.00 62.21 H new ATOM 0 HB VAL A 89 -2.151 8.674 10.834 1.00 72.11 H new ATOM 0 HG11 VAL A 89 -2.414 7.912 13.167 1.00 53.23 H new ATOM 0 HG12 VAL A 89 -1.594 6.698 12.157 1.00 53.23 H new ATOM 0 HG13 VAL A 89 -0.652 7.697 13.288 1.00 53.23 H new ATOM 0 HG21 VAL A 89 -2.184 10.322 12.672 1.00 72.21 H new ATOM 0 HG22 VAL A 89 -0.408 10.243 12.765 1.00 72.21 H new ATOM 0 HG23 VAL A 89 -1.195 10.874 11.299 1.00 72.21 H new ATOM 1542 N SER A 90 1.988 9.459 11.548 1.00 43.15 N ATOM 1543 CA SER A 90 3.214 9.533 12.326 1.00 5.54 C ATOM 1544 C SER A 90 4.373 8.927 11.534 1.00 40.34 C ATOM 1545 O SER A 90 5.386 8.532 12.112 1.00 35.33 O ATOM 1546 CB SER A 90 3.057 8.818 13.669 1.00 14.32 C ATOM 1547 OG SER A 90 3.839 9.427 14.693 1.00 2.52 O ATOM 0 H SER A 90 1.782 10.292 10.996 1.00 43.15 H new ATOM 0 HA SER A 90 3.430 10.582 12.527 1.00 5.54 H new ATOM 0 HB2 SER A 90 2.007 8.824 13.962 1.00 14.32 H new ATOM 0 HB3 SER A 90 3.351 7.774 13.561 1.00 14.32 H new ATOM 0 HG SER A 90 3.710 8.942 15.535 1.00 2.52 H new ATOM 1553 N VAL A 91 4.189 8.874 10.223 1.00 73.43 N ATOM 1554 CA VAL A 91 5.207 8.323 9.346 1.00 23.12 C ATOM 1555 C VAL A 91 6.590 8.746 9.847 1.00 2.11 C ATOM 1556 O VAL A 91 7.034 9.863 9.587 1.00 34.04 O ATOM 1557 CB VAL A 91 4.940 8.749 7.901 1.00 41.51 C ATOM 1558 CG1 VAL A 91 4.268 10.122 7.851 1.00 4.23 C ATOM 1559 CG2 VAL A 91 6.230 8.739 7.078 1.00 15.53 C ATOM 0 H VAL A 91 3.349 9.204 9.747 1.00 73.43 H new ATOM 0 HA VAL A 91 5.174 7.234 9.361 1.00 23.12 H new ATOM 0 HB VAL A 91 4.256 8.024 7.459 1.00 41.51 H new ATOM 0 HG11 VAL A 91 4.089 10.402 6.813 1.00 4.23 H new ATOM 0 HG12 VAL A 91 3.319 10.082 8.385 1.00 4.23 H new ATOM 0 HG13 VAL A 91 4.917 10.862 8.320 1.00 4.23 H new ATOM 0 HG21 VAL A 91 6.011 9.046 6.055 1.00 15.53 H new ATOM 0 HG22 VAL A 91 6.948 9.431 7.519 1.00 15.53 H new ATOM 0 HG23 VAL A 91 6.651 7.733 7.073 1.00 15.53 H new ATOM 1569 N SER A 92 7.232 7.831 10.558 1.00 1.13 N ATOM 1570 CA SER A 92 8.555 8.095 11.098 1.00 51.40 C ATOM 1571 C SER A 92 9.488 6.921 10.794 1.00 74.42 C ATOM 1572 O SER A 92 10.557 6.803 11.393 1.00 22.05 O ATOM 1573 CB SER A 92 8.493 8.348 12.606 1.00 12.45 C ATOM 1574 OG SER A 92 8.219 9.714 12.908 1.00 11.51 O ATOM 0 H SER A 92 6.861 6.906 10.773 1.00 1.13 H new ATOM 0 HA SER A 92 8.946 8.994 10.622 1.00 51.40 H new ATOM 0 HB2 SER A 92 7.722 7.717 13.048 1.00 12.45 H new ATOM 0 HB3 SER A 92 9.440 8.059 13.061 1.00 12.45 H new ATOM 0 HG SER A 92 8.186 9.834 13.880 1.00 11.51 H new ATOM 1580 N THR A 93 9.051 6.085 9.866 1.00 61.14 N ATOM 1581 CA THR A 93 9.834 4.924 9.475 1.00 63.22 C ATOM 1582 C THR A 93 9.965 4.858 7.953 1.00 21.35 C ATOM 1583 O THR A 93 9.027 5.192 7.230 1.00 40.15 O ATOM 1584 CB THR A 93 9.177 3.684 10.084 1.00 14.31 C ATOM 1585 OG1 THR A 93 9.166 3.949 11.484 1.00 4.41 O ATOM 1586 CG2 THR A 93 10.049 2.433 9.949 1.00 72.01 C ATOM 0 H THR A 93 8.164 6.187 9.372 1.00 61.14 H new ATOM 0 HA THR A 93 10.854 4.988 9.855 1.00 63.22 H new ATOM 0 HB THR A 93 8.215 3.510 9.602 1.00 14.31 H new ATOM 0 HG1 THR A 93 8.755 3.195 11.956 1.00 4.41 H new ATOM 0 HG21 THR A 93 9.536 1.582 10.397 1.00 72.01 H new ATOM 0 HG22 THR A 93 10.234 2.231 8.894 1.00 72.01 H new ATOM 0 HG23 THR A 93 10.998 2.594 10.459 1.00 72.01 H new ATOM 1594 N PRO A 94 11.166 4.411 7.498 1.00 14.14 N ATOM 1595 CA PRO A 94 11.432 4.295 6.073 1.00 74.20 C ATOM 1596 C PRO A 94 10.716 3.080 5.480 1.00 15.02 C ATOM 1597 O PRO A 94 10.593 2.046 6.133 1.00 45.33 O ATOM 1598 CB PRO A 94 12.945 4.207 5.962 1.00 44.34 C ATOM 1599 CG PRO A 94 13.442 3.809 7.342 1.00 22.42 C ATOM 1600 CD PRO A 94 12.299 4.005 8.324 1.00 54.04 C ATOM 0 HA PRO A 94 11.053 5.143 5.503 1.00 74.20 H new ATOM 0 HB2 PRO A 94 13.239 3.471 5.214 1.00 44.34 H new ATOM 0 HB3 PRO A 94 13.370 5.162 5.654 1.00 44.34 H new ATOM 0 HG2 PRO A 94 13.773 2.770 7.344 1.00 22.42 H new ATOM 0 HG3 PRO A 94 14.300 4.417 7.629 1.00 22.42 H new ATOM 0 HD2 PRO A 94 12.083 3.086 8.868 1.00 54.04 H new ATOM 0 HD3 PRO A 94 12.541 4.766 9.066 1.00 54.04 H new ATOM 1608 N ILE A 95 10.263 3.246 4.245 1.00 43.23 N ATOM 1609 CA ILE A 95 9.563 2.176 3.556 1.00 11.34 C ATOM 1610 C ILE A 95 10.433 0.917 3.559 1.00 4.52 C ATOM 1611 O ILE A 95 9.929 -0.191 3.389 1.00 11.01 O ATOM 1612 CB ILE A 95 9.141 2.628 2.156 1.00 53.24 C ATOM 1613 CG1 ILE A 95 7.967 1.792 1.641 1.00 71.40 C ATOM 1614 CG2 ILE A 95 10.328 2.603 1.190 1.00 74.51 C ATOM 1615 CD1 ILE A 95 6.835 2.689 1.134 1.00 23.35 C ATOM 0 H ILE A 95 10.367 4.105 3.705 1.00 43.23 H new ATOM 0 HA ILE A 95 8.640 1.926 4.079 1.00 11.34 H new ATOM 0 HB ILE A 95 8.799 3.661 2.220 1.00 53.24 H new ATOM 0 HG12 ILE A 95 8.306 1.139 0.837 1.00 71.40 H new ATOM 0 HG13 ILE A 95 7.596 1.149 2.439 1.00 71.40 H new ATOM 0 HG21 ILE A 95 10.001 2.929 0.203 1.00 74.51 H new ATOM 0 HG22 ILE A 95 11.107 3.273 1.553 1.00 74.51 H new ATOM 0 HG23 ILE A 95 10.723 1.589 1.125 1.00 74.51 H new ATOM 0 HD11 ILE A 95 6.014 2.070 0.774 1.00 23.35 H new ATOM 0 HD12 ILE A 95 6.482 3.324 1.947 1.00 23.35 H new ATOM 0 HD13 ILE A 95 7.203 3.314 0.320 1.00 23.35 H new ATOM 1627 N SER A 96 11.726 1.131 3.756 1.00 11.42 N ATOM 1628 CA SER A 96 12.672 0.028 3.784 1.00 51.52 C ATOM 1629 C SER A 96 12.413 -0.851 5.009 1.00 41.31 C ATOM 1630 O SER A 96 12.518 -2.074 4.934 1.00 24.42 O ATOM 1631 CB SER A 96 14.114 0.538 3.792 1.00 73.11 C ATOM 1632 OG SER A 96 14.509 1.002 5.080 1.00 50.12 O ATOM 0 H SER A 96 12.141 2.052 3.898 1.00 11.42 H new ATOM 0 HA SER A 96 12.531 -0.566 2.881 1.00 51.52 H new ATOM 0 HB2 SER A 96 14.783 -0.262 3.474 1.00 73.11 H new ATOM 0 HB3 SER A 96 14.217 1.347 3.068 1.00 73.11 H new ATOM 0 HG SER A 96 15.436 1.318 5.044 1.00 50.12 H new ATOM 1638 N GLU A 97 12.079 -0.193 6.110 1.00 73.25 N ATOM 1639 CA GLU A 97 11.805 -0.899 7.350 1.00 22.40 C ATOM 1640 C GLU A 97 10.322 -1.268 7.434 1.00 74.43 C ATOM 1641 O GLU A 97 9.978 -2.424 7.677 1.00 53.53 O ATOM 1642 CB GLU A 97 12.233 -0.068 8.561 1.00 24.31 C ATOM 1643 CG GLU A 97 13.720 0.283 8.487 1.00 14.32 C ATOM 1644 CD GLU A 97 14.131 1.175 9.659 1.00 13.10 C ATOM 1645 OE1 GLU A 97 14.403 2.369 9.463 1.00 33.11 O ATOM 1646 OE2 GLU A 97 14.165 0.587 10.807 1.00 21.14 O ATOM 0 H GLU A 97 11.992 0.822 6.169 1.00 73.25 H new ATOM 0 HA GLU A 97 12.389 -1.819 7.358 1.00 22.40 H new ATOM 0 HB2 GLU A 97 11.642 0.847 8.606 1.00 24.31 H new ATOM 0 HB3 GLU A 97 12.032 -0.623 9.477 1.00 24.31 H new ATOM 0 HG2 GLU A 97 14.314 -0.631 8.495 1.00 14.32 H new ATOM 0 HG3 GLU A 97 13.931 0.792 7.546 1.00 14.32 H new ATOM 1654 N VAL A 98 9.483 -0.262 7.229 1.00 73.03 N ATOM 1655 CA VAL A 98 8.045 -0.466 7.278 1.00 14.31 C ATOM 1656 C VAL A 98 7.692 -1.763 6.548 1.00 14.23 C ATOM 1657 O VAL A 98 6.790 -2.488 6.963 1.00 62.31 O ATOM 1658 CB VAL A 98 7.324 0.757 6.709 1.00 13.13 C ATOM 1659 CG1 VAL A 98 5.852 0.445 6.430 1.00 53.03 C ATOM 1660 CG2 VAL A 98 7.462 1.960 7.645 1.00 53.40 C ATOM 0 H VAL A 98 9.772 0.696 7.029 1.00 73.03 H new ATOM 0 HA VAL A 98 7.709 -0.574 8.309 1.00 14.31 H new ATOM 0 HB VAL A 98 7.797 1.014 5.761 1.00 13.13 H new ATOM 0 HG11 VAL A 98 5.362 1.331 6.026 1.00 53.03 H new ATOM 0 HG12 VAL A 98 5.783 -0.369 5.708 1.00 53.03 H new ATOM 0 HG13 VAL A 98 5.361 0.150 7.357 1.00 53.03 H new ATOM 0 HG21 VAL A 98 6.940 2.816 7.217 1.00 53.40 H new ATOM 0 HG22 VAL A 98 7.027 1.718 8.615 1.00 53.40 H new ATOM 0 HG23 VAL A 98 8.517 2.204 7.771 1.00 53.40 H new ATOM 1670 N TYR A 99 8.421 -2.014 5.470 1.00 23.41 N ATOM 1671 CA TYR A 99 8.197 -3.211 4.677 1.00 72.23 C ATOM 1672 C TYR A 99 8.834 -4.435 5.339 1.00 41.42 C ATOM 1673 O TYR A 99 8.274 -5.529 5.295 1.00 44.51 O ATOM 1674 CB TYR A 99 8.881 -2.959 3.332 1.00 73.42 C ATOM 1675 CG TYR A 99 9.225 -4.235 2.561 1.00 71.20 C ATOM 1676 CD1 TYR A 99 10.299 -5.009 2.952 1.00 72.44 C ATOM 1677 CD2 TYR A 99 8.462 -4.612 1.474 1.00 10.12 C ATOM 1678 CE1 TYR A 99 10.622 -6.211 2.227 1.00 65.15 C ATOM 1679 CE2 TYR A 99 8.785 -5.813 0.749 1.00 13.41 C ATOM 1680 CZ TYR A 99 9.850 -6.553 1.160 1.00 12.34 C ATOM 1681 OH TYR A 99 10.155 -7.687 0.475 1.00 34.03 O ATOM 0 H TYR A 99 9.167 -1.409 5.127 1.00 23.41 H new ATOM 0 HA TYR A 99 7.130 -3.409 4.573 1.00 72.23 H new ATOM 0 HB2 TYR A 99 8.231 -2.338 2.716 1.00 73.42 H new ATOM 0 HB3 TYR A 99 9.796 -2.391 3.502 1.00 73.42 H new ATOM 0 HD1 TYR A 99 10.897 -4.713 3.801 1.00 72.44 H new ATOM 0 HD2 TYR A 99 7.622 -4.006 1.167 1.00 10.12 H new ATOM 0 HE1 TYR A 99 11.458 -6.827 2.524 1.00 65.15 H new ATOM 0 HE2 TYR A 99 8.195 -6.120 -0.102 1.00 13.41 H new ATOM 0 HH TYR A 99 9.457 -7.865 -0.190 1.00 34.03 H new ATOM 1691 N GLU A 100 9.994 -4.209 5.936 1.00 24.12 N ATOM 1692 CA GLU A 100 10.713 -5.279 6.605 1.00 10.14 C ATOM 1693 C GLU A 100 10.109 -5.541 7.987 1.00 24.24 C ATOM 1694 O GLU A 100 10.529 -6.461 8.688 1.00 64.34 O ATOM 1695 CB GLU A 100 12.205 -4.956 6.711 1.00 52.12 C ATOM 1696 CG GLU A 100 12.526 -4.277 8.044 1.00 41.55 C ATOM 1697 CD GLU A 100 13.923 -3.652 8.018 1.00 3.21 C ATOM 1698 OE1 GLU A 100 14.535 -3.548 6.945 1.00 23.53 O ATOM 1699 OE2 GLU A 100 14.368 -3.266 9.165 1.00 74.24 O ATOM 0 H GLU A 100 10.454 -3.300 5.970 1.00 24.12 H new ATOM 0 HA GLU A 100 10.613 -6.186 6.008 1.00 10.14 H new ATOM 0 HB2 GLU A 100 12.787 -5.873 6.617 1.00 52.12 H new ATOM 0 HB3 GLU A 100 12.499 -4.306 5.887 1.00 52.12 H new ATOM 0 HG2 GLU A 100 11.783 -3.507 8.252 1.00 41.55 H new ATOM 0 HG3 GLU A 100 12.465 -5.006 8.852 1.00 41.55 H new ATOM 1707 N SER A 101 9.134 -4.715 8.337 1.00 23.43 N ATOM 1708 CA SER A 101 8.468 -4.845 9.622 1.00 33.22 C ATOM 1709 C SER A 101 6.991 -5.187 9.415 1.00 63.15 C ATOM 1710 O SER A 101 6.220 -5.234 10.373 1.00 0.10 O ATOM 1711 CB SER A 101 8.607 -3.564 10.446 1.00 23.11 C ATOM 1712 OG SER A 101 9.840 -3.518 11.158 1.00 11.13 O ATOM 0 H SER A 101 8.789 -3.953 7.753 1.00 23.43 H new ATOM 0 HA SER A 101 8.946 -5.654 10.175 1.00 33.22 H new ATOM 0 HB2 SER A 101 8.537 -2.699 9.786 1.00 23.11 H new ATOM 0 HB3 SER A 101 7.779 -3.495 11.151 1.00 23.11 H new ATOM 0 HG SER A 101 9.891 -2.684 11.670 1.00 11.13 H new ATOM 1718 N GLU A 102 6.641 -5.414 8.158 1.00 74.03 N ATOM 1719 CA GLU A 102 5.270 -5.750 7.812 1.00 73.55 C ATOM 1720 C GLU A 102 5.242 -6.912 6.817 1.00 44.54 C ATOM 1721 O GLU A 102 4.541 -7.900 7.032 1.00 34.43 O ATOM 1722 CB GLU A 102 4.532 -4.532 7.253 1.00 0.30 C ATOM 1723 CG GLU A 102 4.525 -3.384 8.264 1.00 75.10 C ATOM 1724 CD GLU A 102 3.317 -3.482 9.198 1.00 24.40 C ATOM 1725 OE1 GLU A 102 2.169 -3.372 8.742 1.00 30.04 O ATOM 1726 OE2 GLU A 102 3.603 -3.683 10.440 1.00 73.01 O ATOM 0 H GLU A 102 7.283 -5.372 7.366 1.00 74.03 H new ATOM 0 HA GLU A 102 4.753 -6.063 8.719 1.00 73.55 H new ATOM 0 HB2 GLU A 102 5.010 -4.205 6.329 1.00 0.30 H new ATOM 0 HB3 GLU A 102 3.507 -4.807 7.002 1.00 0.30 H new ATOM 0 HG2 GLU A 102 5.444 -3.405 8.849 1.00 75.10 H new ATOM 0 HG3 GLU A 102 4.505 -2.430 7.736 1.00 75.10 H new ATOM 1734 N ARG A 103 6.013 -6.756 5.752 1.00 73.01 N ATOM 1735 CA ARG A 103 6.086 -7.780 4.723 1.00 11.32 C ATOM 1736 C ARG A 103 6.004 -9.171 5.354 1.00 10.30 C ATOM 1737 O ARG A 103 6.378 -9.356 6.511 1.00 22.34 O ATOM 1738 CB ARG A 103 7.384 -7.665 3.923 1.00 73.24 C ATOM 1739 CG ARG A 103 8.590 -8.074 4.773 1.00 1.11 C ATOM 1740 CD ARG A 103 8.797 -9.589 4.737 1.00 64.23 C ATOM 1741 NE ARG A 103 10.239 -9.906 4.842 1.00 73.51 N ATOM 1742 CZ ARG A 103 10.724 -11.119 5.181 1.00 54.13 C ATOM 1743 NH1 ARG A 103 9.886 -12.141 5.451 1.00 40.42 N ATOM 1744 NH2 ARG A 103 12.032 -11.290 5.244 1.00 53.31 N ATOM 0 H ARG A 103 6.593 -5.935 5.579 1.00 73.01 H new ATOM 0 HA ARG A 103 5.243 -7.633 4.047 1.00 11.32 H new ATOM 0 HB2 ARG A 103 7.327 -8.298 3.038 1.00 73.24 H new ATOM 0 HB3 ARG A 103 7.511 -6.640 3.574 1.00 73.24 H new ATOM 0 HG2 ARG A 103 9.485 -7.572 4.406 1.00 1.11 H new ATOM 0 HG3 ARG A 103 8.441 -7.748 5.802 1.00 1.11 H new ATOM 0 HD2 ARG A 103 8.253 -10.058 5.556 1.00 64.23 H new ATOM 0 HD3 ARG A 103 8.393 -9.998 3.811 1.00 64.23 H new ATOM 0 HE ARG A 103 10.908 -9.161 4.646 1.00 73.51 H new ATOM 0 HH11 ARG A 103 8.877 -12.000 5.400 1.00 40.42 H new ATOM 0 HH12 ARG A 103 10.261 -13.054 5.706 1.00 40.42 H new ATOM 0 HH21 ARG A 103 12.659 -10.512 5.038 1.00 53.31 H new ATOM 0 HH22 ARG A 103 12.416 -12.200 5.499 1.00 53.31 H new ATOM 1757 N ASP A 104 5.513 -10.115 4.564 1.00 3.22 N ATOM 1758 CA ASP A 104 5.377 -11.485 5.031 1.00 24.23 C ATOM 1759 C ASP A 104 6.392 -12.369 4.305 1.00 52.11 C ATOM 1760 O ASP A 104 7.164 -11.885 3.479 1.00 14.33 O ATOM 1761 CB ASP A 104 3.978 -12.031 4.737 1.00 21.34 C ATOM 1762 CG ASP A 104 3.049 -12.116 5.950 1.00 33.24 C ATOM 1763 OD1 ASP A 104 2.648 -11.090 6.520 1.00 13.53 O ATOM 1764 OD2 ASP A 104 2.732 -13.313 6.311 1.00 12.42 O ATOM 0 H ASP A 104 5.205 -9.959 3.604 1.00 3.22 H new ATOM 0 HA ASP A 104 5.548 -11.493 6.107 1.00 24.23 H new ATOM 0 HB2 ASP A 104 3.509 -11.399 3.983 1.00 21.34 H new ATOM 0 HB3 ASP A 104 4.076 -13.026 4.303 1.00 21.34 H new ATOM 1770 N GLU A 105 6.358 -13.651 4.638 1.00 4.45 N ATOM 1771 CA GLU A 105 7.265 -14.608 4.027 1.00 23.41 C ATOM 1772 C GLU A 105 7.451 -14.290 2.542 1.00 43.50 C ATOM 1773 O GLU A 105 8.578 -14.145 2.071 1.00 71.12 O ATOM 1774 CB GLU A 105 6.764 -16.040 4.223 1.00 74.25 C ATOM 1775 CG GLU A 105 6.481 -16.325 5.699 1.00 61.33 C ATOM 1776 CD GLU A 105 6.574 -17.823 5.996 1.00 54.43 C ATOM 1777 OE1 GLU A 105 6.072 -18.643 5.212 1.00 41.24 O ATOM 1778 OE2 GLU A 105 7.194 -18.126 7.086 1.00 31.11 O ATOM 0 H GLU A 105 5.716 -14.049 5.323 1.00 4.45 H new ATOM 0 HA GLU A 105 8.234 -14.527 4.520 1.00 23.41 H new ATOM 0 HB2 GLU A 105 5.857 -16.195 3.639 1.00 74.25 H new ATOM 0 HB3 GLU A 105 7.508 -16.744 3.849 1.00 74.25 H new ATOM 0 HG2 GLU A 105 7.193 -15.782 6.321 1.00 61.33 H new ATOM 0 HG3 GLU A 105 5.488 -15.960 5.960 1.00 61.33 H new ATOM 1786 N ASP A 106 6.328 -14.190 1.846 1.00 14.21 N ATOM 1787 CA ASP A 106 6.353 -13.892 0.425 1.00 71.01 C ATOM 1788 C ASP A 106 7.348 -12.759 0.162 1.00 12.41 C ATOM 1789 O ASP A 106 8.198 -12.866 -0.719 1.00 41.35 O ATOM 1790 CB ASP A 106 4.978 -13.437 -0.067 1.00 4.22 C ATOM 1791 CG ASP A 106 4.408 -12.210 0.648 1.00 72.31 C ATOM 1792 OD1 ASP A 106 4.690 -11.973 1.832 1.00 41.53 O ATOM 1793 OD2 ASP A 106 3.635 -11.470 -0.071 1.00 55.23 O ATOM 0 H ASP A 106 5.395 -14.310 2.240 1.00 14.21 H new ATOM 0 HA ASP A 106 6.643 -14.800 -0.104 1.00 71.01 H new ATOM 0 HB2 ASP A 106 5.044 -13.219 -1.133 1.00 4.22 H new ATOM 0 HB3 ASP A 106 4.276 -14.263 0.047 1.00 4.22 H new ATOM 1799 N GLY A 107 7.207 -11.698 0.945 1.00 33.44 N ATOM 1800 CA GLY A 107 8.082 -10.547 0.809 1.00 23.13 C ATOM 1801 C GLY A 107 7.387 -9.416 0.049 1.00 31.21 C ATOM 1802 O GLY A 107 8.046 -8.563 -0.543 1.00 13.31 O ATOM 0 H GLY A 107 6.500 -11.612 1.675 1.00 33.44 H new ATOM 0 HA2 GLY A 107 8.382 -10.196 1.796 1.00 23.13 H new ATOM 0 HA3 GLY A 107 8.992 -10.838 0.284 1.00 23.13 H new ATOM 1806 N PHE A 108 6.062 -9.446 0.091 1.00 52.33 N ATOM 1807 CA PHE A 108 5.270 -8.433 -0.588 1.00 14.14 C ATOM 1808 C PHE A 108 4.415 -7.649 0.409 1.00 21.33 C ATOM 1809 O PHE A 108 3.733 -8.238 1.246 1.00 22.32 O ATOM 1810 CB PHE A 108 4.349 -9.168 -1.565 1.00 51.42 C ATOM 1811 CG PHE A 108 4.391 -8.617 -2.992 1.00 70.41 C ATOM 1812 CD1 PHE A 108 4.681 -7.306 -3.206 1.00 32.51 C ATOM 1813 CD2 PHE A 108 4.138 -9.439 -4.045 1.00 14.11 C ATOM 1814 CE1 PHE A 108 4.720 -6.794 -4.531 1.00 73.31 C ATOM 1815 CE2 PHE A 108 4.177 -8.929 -5.369 1.00 54.21 C ATOM 1816 CZ PHE A 108 4.467 -7.617 -5.585 1.00 4.21 C ATOM 0 H PHE A 108 5.518 -10.154 0.584 1.00 52.33 H new ATOM 0 HA PHE A 108 5.925 -7.727 -1.099 1.00 14.14 H new ATOM 0 HB2 PHE A 108 4.624 -10.222 -1.585 1.00 51.42 H new ATOM 0 HB3 PHE A 108 3.325 -9.113 -1.195 1.00 51.42 H new ATOM 0 HD1 PHE A 108 4.882 -6.654 -2.369 1.00 32.51 H new ATOM 0 HD2 PHE A 108 3.907 -10.480 -3.874 1.00 14.11 H new ATOM 0 HE1 PHE A 108 4.950 -5.753 -4.701 1.00 73.31 H new ATOM 0 HE2 PHE A 108 3.976 -9.582 -6.205 1.00 54.21 H new ATOM 0 HZ PHE A 108 4.496 -7.229 -6.592 1.00 4.21 H new ATOM 1826 N LEU A 109 4.480 -6.331 0.286 1.00 21.41 N ATOM 1827 CA LEU A 109 3.720 -5.460 1.166 1.00 35.21 C ATOM 1828 C LEU A 109 2.262 -5.422 0.705 1.00 20.13 C ATOM 1829 O LEU A 109 1.985 -5.417 -0.493 1.00 53.12 O ATOM 1830 CB LEU A 109 4.375 -4.079 1.248 1.00 71.00 C ATOM 1831 CG LEU A 109 5.127 -3.769 2.543 1.00 51.53 C ATOM 1832 CD1 LEU A 109 4.188 -3.173 3.594 1.00 10.31 C ATOM 1833 CD2 LEU A 109 5.857 -5.009 3.064 1.00 53.35 C ATOM 0 H LEU A 109 5.047 -5.846 -0.409 1.00 21.41 H new ATOM 0 HA LEU A 109 3.723 -5.851 2.184 1.00 35.21 H new ATOM 0 HB2 LEU A 109 5.070 -3.979 0.415 1.00 71.00 H new ATOM 0 HB3 LEU A 109 3.602 -3.323 1.111 1.00 71.00 H new ATOM 0 HG LEU A 109 5.885 -3.017 2.325 1.00 51.53 H new ATOM 0 HD11 LEU A 109 4.748 -2.962 4.505 1.00 10.31 H new ATOM 0 HD12 LEU A 109 3.755 -2.249 3.212 1.00 10.31 H new ATOM 0 HD13 LEU A 109 3.391 -3.883 3.815 1.00 10.31 H new ATOM 0 HD21 LEU A 109 6.384 -4.761 3.986 1.00 53.35 H new ATOM 0 HD22 LEU A 109 5.134 -5.801 3.261 1.00 53.35 H new ATOM 0 HD23 LEU A 109 6.574 -5.350 2.317 1.00 53.35 H new ATOM 1845 N TYR A 110 1.367 -5.398 1.682 1.00 30.44 N ATOM 1846 CA TYR A 110 -0.057 -5.362 1.391 1.00 32.34 C ATOM 1847 C TYR A 110 -0.734 -4.194 2.111 1.00 41.52 C ATOM 1848 O TYR A 110 -0.907 -4.226 3.328 1.00 5.21 O ATOM 1849 CB TYR A 110 -0.630 -6.677 1.926 1.00 11.21 C ATOM 1850 CG TYR A 110 -0.101 -7.922 1.213 1.00 75.11 C ATOM 1851 CD1 TYR A 110 -0.603 -8.276 -0.022 1.00 40.13 C ATOM 1852 CD2 TYR A 110 0.880 -8.692 1.805 1.00 65.35 C ATOM 1853 CE1 TYR A 110 -0.105 -9.449 -0.694 1.00 12.12 C ATOM 1854 CE2 TYR A 110 1.378 -9.865 1.134 1.00 23.30 C ATOM 1855 CZ TYR A 110 0.861 -10.186 -0.083 1.00 64.21 C ATOM 1856 OH TYR A 110 1.332 -11.292 -0.717 1.00 75.44 O ATOM 0 H TYR A 110 1.600 -5.403 2.675 1.00 30.44 H new ATOM 0 HA TYR A 110 -0.228 -5.236 0.322 1.00 32.34 H new ATOM 0 HB2 TYR A 110 -0.402 -6.755 2.989 1.00 11.21 H new ATOM 0 HB3 TYR A 110 -1.716 -6.652 1.834 1.00 11.21 H new ATOM 0 HD1 TYR A 110 -1.370 -7.673 -0.486 1.00 40.13 H new ATOM 0 HD2 TYR A 110 1.274 -8.415 2.772 1.00 65.35 H new ATOM 0 HE1 TYR A 110 -0.490 -9.737 -1.661 1.00 12.12 H new ATOM 0 HE2 TYR A 110 2.145 -10.476 1.587 1.00 23.30 H new ATOM 0 HH TYR A 110 2.309 -11.243 -0.777 1.00 75.44 H new ATOM 1866 N MET A 111 -1.099 -3.189 1.327 1.00 11.54 N ATOM 1867 CA MET A 111 -1.753 -2.014 1.874 1.00 54.55 C ATOM 1868 C MET A 111 -3.003 -1.656 1.068 1.00 15.42 C ATOM 1869 O MET A 111 -2.985 -1.696 -0.161 1.00 64.01 O ATOM 1870 CB MET A 111 -0.780 -0.833 1.857 1.00 60.14 C ATOM 1871 CG MET A 111 0.654 -1.300 2.115 1.00 4.13 C ATOM 1872 SD MET A 111 1.747 0.107 2.217 1.00 11.21 S ATOM 1873 CE MET A 111 3.170 -0.543 1.358 1.00 41.54 C ATOM 0 H MET A 111 -0.954 -3.165 0.318 1.00 11.54 H new ATOM 0 HA MET A 111 -2.054 -2.234 2.898 1.00 54.55 H new ATOM 0 HB2 MET A 111 -0.834 -0.327 0.893 1.00 60.14 H new ATOM 0 HB3 MET A 111 -1.071 -0.106 2.615 1.00 60.14 H new ATOM 0 HG2 MET A 111 0.697 -1.872 3.042 1.00 4.13 H new ATOM 0 HG3 MET A 111 0.978 -1.965 1.314 1.00 4.13 H new ATOM 0 HE1 MET A 111 4.039 -0.506 2.014 1.00 41.54 H new ATOM 0 HE2 MET A 111 2.979 -1.576 1.067 1.00 41.54 H new ATOM 0 HE3 MET A 111 3.362 0.055 0.467 1.00 41.54 H new ATOM 1883 N VAL A 112 -4.058 -1.316 1.793 1.00 22.04 N ATOM 1884 CA VAL A 112 -5.315 -0.952 1.161 1.00 51.41 C ATOM 1885 C VAL A 112 -5.488 0.567 1.214 1.00 34.21 C ATOM 1886 O VAL A 112 -5.260 1.185 2.255 1.00 73.33 O ATOM 1887 CB VAL A 112 -6.471 -1.709 1.819 1.00 73.25 C ATOM 1888 CG1 VAL A 112 -7.797 -0.975 1.609 1.00 50.42 C ATOM 1889 CG2 VAL A 112 -6.552 -3.146 1.300 1.00 14.04 C ATOM 0 H VAL A 112 -4.069 -1.285 2.812 1.00 22.04 H new ATOM 0 HA VAL A 112 -5.311 -1.242 0.110 1.00 51.41 H new ATOM 0 HB VAL A 112 -6.277 -1.751 2.891 1.00 73.25 H new ATOM 0 HG11 VAL A 112 -8.602 -1.534 2.086 1.00 50.42 H new ATOM 0 HG12 VAL A 112 -7.736 0.020 2.049 1.00 50.42 H new ATOM 0 HG13 VAL A 112 -7.999 -0.888 0.542 1.00 50.42 H new ATOM 0 HG21 VAL A 112 -7.382 -3.661 1.784 1.00 14.04 H new ATOM 0 HG22 VAL A 112 -6.711 -3.135 0.222 1.00 14.04 H new ATOM 0 HG23 VAL A 112 -5.621 -3.667 1.524 1.00 14.04 H new ATOM 1899 N TYR A 113 -5.889 1.126 0.083 1.00 40.11 N ATOM 1900 CA TYR A 113 -6.094 2.562 -0.012 1.00 64.13 C ATOM 1901 C TYR A 113 -7.574 2.892 -0.212 1.00 45.34 C ATOM 1902 O TYR A 113 -8.290 2.161 -0.897 1.00 34.33 O ATOM 1903 CB TYR A 113 -5.310 3.020 -1.243 1.00 30.31 C ATOM 1904 CG TYR A 113 -6.054 2.819 -2.564 1.00 22.44 C ATOM 1905 CD1 TYR A 113 -7.069 3.685 -2.923 1.00 33.02 C ATOM 1906 CD2 TYR A 113 -5.711 1.774 -3.397 1.00 73.00 C ATOM 1907 CE1 TYR A 113 -7.769 3.496 -4.167 1.00 63.43 C ATOM 1908 CE2 TYR A 113 -6.412 1.585 -4.642 1.00 24.44 C ATOM 1909 CZ TYR A 113 -7.406 2.456 -4.965 1.00 23.23 C ATOM 1910 OH TYR A 113 -8.068 2.278 -6.139 1.00 43.21 O ATOM 0 H TYR A 113 -6.078 0.611 -0.777 1.00 40.11 H new ATOM 0 HA TYR A 113 -5.764 3.058 0.901 1.00 64.13 H new ATOM 0 HB2 TYR A 113 -5.065 4.076 -1.133 1.00 30.31 H new ATOM 0 HB3 TYR A 113 -4.366 2.476 -1.283 1.00 30.31 H new ATOM 0 HD1 TYR A 113 -7.337 4.503 -2.271 1.00 33.02 H new ATOM 0 HD2 TYR A 113 -4.917 1.098 -3.116 1.00 73.00 H new ATOM 0 HE1 TYR A 113 -8.565 4.165 -4.460 1.00 63.43 H new ATOM 0 HE2 TYR A 113 -6.154 0.771 -5.303 1.00 24.44 H new ATOM 0 HH TYR A 113 -8.236 3.149 -6.555 1.00 43.21 H new ATOM 1920 N ALA A 114 -7.991 3.993 0.396 1.00 13.04 N ATOM 1921 CA ALA A 114 -9.373 4.428 0.293 1.00 1.44 C ATOM 1922 C ALA A 114 -9.450 5.932 0.560 1.00 2.12 C ATOM 1923 O ALA A 114 -8.437 6.569 0.845 1.00 24.00 O ATOM 1924 CB ALA A 114 -10.237 3.618 1.262 1.00 12.02 C ATOM 0 H ALA A 114 -7.395 4.597 0.962 1.00 13.04 H new ATOM 0 HA ALA A 114 -9.758 4.251 -0.711 1.00 1.44 H new ATOM 0 HB1 ALA A 114 -11.274 3.944 1.185 1.00 12.02 H new ATOM 0 HB2 ALA A 114 -10.170 2.559 1.011 1.00 12.02 H new ATOM 0 HB3 ALA A 114 -9.883 3.772 2.281 1.00 12.02 H new ATOM 1930 N SER A 115 -10.663 6.458 0.461 1.00 54.31 N ATOM 1931 CA SER A 115 -10.886 7.875 0.689 1.00 61.52 C ATOM 1932 C SER A 115 -11.163 8.129 2.172 1.00 53.55 C ATOM 1933 O SER A 115 -11.698 9.175 2.537 1.00 63.34 O ATOM 1934 CB SER A 115 -12.044 8.394 -0.164 1.00 1.23 C ATOM 1935 OG SER A 115 -12.358 9.752 0.131 1.00 60.44 O ATOM 0 H SER A 115 -11.502 5.927 0.226 1.00 54.31 H new ATOM 0 HA SER A 115 -9.985 8.415 0.397 1.00 61.52 H new ATOM 0 HB2 SER A 115 -11.786 8.303 -1.219 1.00 1.23 H new ATOM 0 HB3 SER A 115 -12.924 7.774 0.004 1.00 1.23 H new ATOM 0 HG SER A 115 -12.458 9.862 1.100 1.00 60.44 H new ATOM 1941 N GLN A 116 -10.785 7.156 2.987 1.00 43.31 N ATOM 1942 CA GLN A 116 -10.986 7.261 4.422 1.00 53.23 C ATOM 1943 C GLN A 116 -9.898 6.485 5.169 1.00 50.42 C ATOM 1944 O GLN A 116 -9.377 5.494 4.659 1.00 70.45 O ATOM 1945 CB GLN A 116 -12.380 6.771 4.818 1.00 2.11 C ATOM 1946 CG GLN A 116 -12.606 6.919 6.325 1.00 21.34 C ATOM 1947 CD GLN A 116 -14.080 7.193 6.632 1.00 22.22 C ATOM 1948 OE1 GLN A 116 -14.958 7.014 5.805 1.00 62.34 O ATOM 1949 NE2 GLN A 116 -14.301 7.637 7.867 1.00 55.11 N ATOM 0 H GLN A 116 -10.340 6.291 2.681 1.00 43.31 H new ATOM 0 HA GLN A 116 -10.913 8.312 4.703 1.00 53.23 H new ATOM 0 HB2 GLN A 116 -13.136 7.338 4.276 1.00 2.11 H new ATOM 0 HB3 GLN A 116 -12.498 5.726 4.530 1.00 2.11 H new ATOM 0 HG2 GLN A 116 -12.287 6.010 6.836 1.00 21.34 H new ATOM 0 HG3 GLN A 116 -11.993 7.733 6.710 1.00 21.34 H new ATOM 0 HE21 GLN A 116 -13.520 7.765 8.510 1.00 55.11 H new ATOM 0 HE22 GLN A 116 -15.251 7.849 8.170 1.00 55.11 H new ATOM 1958 N GLU A 117 -9.590 6.965 6.365 1.00 13.30 N ATOM 1959 CA GLU A 117 -8.573 6.328 7.186 1.00 34.21 C ATOM 1960 C GLU A 117 -9.155 5.950 8.551 1.00 42.32 C ATOM 1961 O GLU A 117 -8.463 5.368 9.384 1.00 54.41 O ATOM 1962 CB GLU A 117 -7.350 7.232 7.343 1.00 4.33 C ATOM 1963 CG GLU A 117 -6.714 7.060 8.724 1.00 44.23 C ATOM 1964 CD GLU A 117 -5.477 7.948 8.873 1.00 34.21 C ATOM 1965 OE1 GLU A 117 -4.659 8.031 7.946 1.00 13.12 O ATOM 1966 OE2 GLU A 117 -5.384 8.567 10.001 1.00 14.44 O ATOM 0 H GLU A 117 -10.026 7.786 6.785 1.00 13.30 H new ATOM 0 HA GLU A 117 -8.247 5.416 6.686 1.00 34.21 H new ATOM 0 HB2 GLU A 117 -6.618 6.997 6.570 1.00 4.33 H new ATOM 0 HB3 GLU A 117 -7.642 8.272 7.200 1.00 4.33 H new ATOM 0 HG2 GLU A 117 -7.441 7.310 9.497 1.00 44.23 H new ATOM 0 HG3 GLU A 117 -6.437 6.016 8.873 1.00 44.23 H new ATOM 1974 N THR A 118 -10.420 6.297 8.736 1.00 32.30 N ATOM 1975 CA THR A 118 -11.102 6.002 9.984 1.00 34.24 C ATOM 1976 C THR A 118 -12.487 5.412 9.709 1.00 33.31 C ATOM 1977 O THR A 118 -13.491 5.921 10.201 1.00 43.32 O ATOM 1978 CB THR A 118 -11.143 7.285 10.815 1.00 61.45 C ATOM 1979 OG1 THR A 118 -11.823 8.218 9.981 1.00 2.53 O ATOM 1980 CG2 THR A 118 -9.756 7.902 11.010 1.00 11.22 C ATOM 0 H THR A 118 -10.991 6.780 8.042 1.00 32.30 H new ATOM 0 HA THR A 118 -10.568 5.244 10.556 1.00 34.24 H new ATOM 0 HB THR A 118 -11.586 7.072 11.788 1.00 61.45 H new ATOM 0 HG1 THR A 118 -11.895 9.079 10.444 1.00 2.53 H new ATOM 0 HG21 THR A 118 -9.842 8.810 11.607 1.00 11.22 H new ATOM 0 HG22 THR A 118 -9.110 7.190 11.524 1.00 11.22 H new ATOM 0 HG23 THR A 118 -9.326 8.146 10.038 1.00 11.22 H new ATOM 2085 N ASP B 337 8.552 -6.293 -14.743 1.00 34.41 N ATOM 2086 CA ASP B 337 8.904 -5.061 -14.056 1.00 41.12 C ATOM 2087 C ASP B 337 7.626 -4.302 -13.691 1.00 44.23 C ATOM 2088 O ASP B 337 6.792 -4.034 -14.555 1.00 22.34 O ATOM 2089 CB ASP B 337 9.753 -4.155 -14.950 1.00 74.41 C ATOM 2090 CG ASP B 337 9.370 -4.167 -16.432 1.00 74.24 C ATOM 2091 OD1 ASP B 337 9.802 -5.043 -17.197 1.00 11.21 O ATOM 2092 OD2 ASP B 337 8.583 -3.213 -16.800 1.00 24.22 O ATOM 0 HA ASP B 337 9.473 -5.323 -13.164 1.00 41.12 H new ATOM 0 HB2 ASP B 337 9.680 -3.133 -14.579 1.00 74.41 H new ATOM 0 HB3 ASP B 337 10.797 -4.454 -14.857 1.00 74.41 H new ATOM 2098 N TRP B 338 7.513 -3.978 -12.413 1.00 31.21 N ATOM 2099 CA TRP B 338 6.351 -3.256 -11.923 1.00 33.50 C ATOM 2100 C TRP B 338 6.527 -1.779 -12.282 1.00 43.13 C ATOM 2101 O TRP B 338 7.212 -1.449 -13.248 1.00 24.04 O ATOM 2102 CB TRP B 338 6.154 -3.487 -10.424 1.00 13.13 C ATOM 2103 CG TRP B 338 6.469 -4.913 -9.967 1.00 73.14 C ATOM 2104 CD1 TRP B 338 6.663 -6.000 -10.727 1.00 63.32 C ATOM 2105 CD2 TRP B 338 6.623 -5.365 -8.605 1.00 60.44 C ATOM 2106 NE1 TRP B 338 6.928 -7.114 -9.959 1.00 24.21 N ATOM 2107 CE2 TRP B 338 6.903 -6.716 -8.626 1.00 21.50 C ATOM 2108 CE3 TRP B 338 6.527 -4.657 -7.394 1.00 41.01 C ATOM 2109 CZ2 TRP B 338 7.111 -7.475 -7.469 1.00 13.12 C ATOM 2110 CZ3 TRP B 338 6.737 -5.428 -6.246 1.00 42.51 C ATOM 2111 CH2 TRP B 338 7.020 -6.790 -6.251 1.00 22.23 C ATOM 0 H TRP B 338 8.207 -4.202 -11.700 1.00 31.21 H new ATOM 0 HA TRP B 338 5.440 -3.624 -12.396 1.00 33.50 H new ATOM 0 HB2 TRP B 338 6.788 -2.792 -9.873 1.00 13.13 H new ATOM 0 HB3 TRP B 338 5.122 -3.253 -10.163 1.00 13.13 H new ATOM 0 HD1 TRP B 338 6.617 -6.003 -11.806 1.00 63.32 H new ATOM 0 HE1 TRP B 338 7.109 -8.056 -10.304 1.00 24.21 H new ATOM 0 HE3 TRP B 338 6.308 -3.600 -7.353 1.00 41.01 H new ATOM 0 HZ2 TRP B 338 7.330 -8.532 -7.513 1.00 13.12 H new ATOM 0 HZ3 TRP B 338 6.675 -4.931 -5.289 1.00 42.51 H new ATOM 0 HH2 TRP B 338 7.169 -7.317 -5.320 1.00 22.23 H new ATOM 2122 N THR B 339 5.895 -0.930 -11.484 1.00 11.15 N ATOM 2123 CA THR B 339 5.973 0.504 -11.706 1.00 63.24 C ATOM 2124 C THR B 339 7.094 1.113 -10.862 1.00 75.25 C ATOM 2125 O THR B 339 7.538 0.512 -9.885 1.00 55.55 O ATOM 2126 CB THR B 339 4.596 1.103 -11.412 1.00 43.14 C ATOM 2127 OG1 THR B 339 4.392 2.038 -12.467 1.00 20.42 O ATOM 2128 CG2 THR B 339 4.590 1.963 -10.147 1.00 73.05 C ATOM 0 H THR B 339 5.327 -1.208 -10.683 1.00 11.15 H new ATOM 0 HA THR B 339 6.228 0.732 -12.741 1.00 63.24 H new ATOM 0 HB THR B 339 3.866 0.300 -11.309 1.00 43.14 H new ATOM 0 HG1 THR B 339 4.256 1.556 -13.309 1.00 20.42 H new ATOM 0 HG21 THR B 339 3.590 2.364 -9.984 1.00 73.05 H new ATOM 0 HG22 THR B 339 4.880 1.353 -9.291 1.00 73.05 H new ATOM 0 HG23 THR B 339 5.296 2.785 -10.263 1.00 73.05 H new ATOM 2136 N HIS B 340 7.519 2.301 -11.269 1.00 23.10 N ATOM 2137 CA HIS B 340 8.580 2.999 -10.562 1.00 53.35 C ATOM 2138 C HIS B 340 8.011 4.251 -9.891 1.00 55.35 C ATOM 2139 O HIS B 340 7.311 5.037 -10.528 1.00 75.31 O ATOM 2140 CB HIS B 340 9.746 3.307 -11.502 1.00 52.13 C ATOM 2141 CG HIS B 340 9.388 3.244 -12.968 1.00 4.34 C ATOM 2142 ND1 HIS B 340 9.386 2.063 -13.689 1.00 2.03 N ATOM 2143 CD2 HIS B 340 9.020 4.228 -13.838 1.00 35.32 C ATOM 2144 CE1 HIS B 340 9.032 2.335 -14.936 1.00 52.42 C ATOM 2145 NE2 HIS B 340 8.807 3.678 -15.026 1.00 32.50 N ATOM 0 H HIS B 340 7.148 2.797 -12.079 1.00 23.10 H new ATOM 0 HA HIS B 340 8.982 2.359 -9.776 1.00 53.35 H new ATOM 0 HB2 HIS B 340 10.129 4.302 -11.275 1.00 52.13 H new ATOM 0 HB3 HIS B 340 10.554 2.602 -11.305 1.00 52.13 H new ATOM 0 HD2 HIS B 340 8.919 5.277 -13.600 1.00 35.32 H new ATOM 0 HE1 HIS B 340 8.938 1.620 -15.740 1.00 52.42 H new ATOM 0 HE2 HIS B 340 8.522 4.177 -15.869 1.00 32.50 H new ATOM 2153 N LEU B 341 8.334 4.399 -8.616 1.00 42.45 N ATOM 2154 CA LEU B 341 7.866 5.542 -7.851 1.00 42.21 C ATOM 2155 C LEU B 341 8.963 6.607 -7.811 1.00 60.12 C ATOM 2156 O LEU B 341 10.017 6.394 -7.215 1.00 1.40 O ATOM 2157 CB LEU B 341 7.384 5.101 -6.467 1.00 45.14 C ATOM 2158 CG LEU B 341 6.585 3.797 -6.419 1.00 73.23 C ATOM 2159 CD1 LEU B 341 5.885 3.633 -5.069 1.00 65.35 C ATOM 2160 CD2 LEU B 341 5.603 3.713 -7.588 1.00 55.44 C ATOM 0 H LEU B 341 8.915 3.745 -8.092 1.00 42.45 H new ATOM 0 HA LEU B 341 7.000 5.995 -8.334 1.00 42.21 H new ATOM 0 HB2 LEU B 341 8.253 4.995 -5.818 1.00 45.14 H new ATOM 0 HB3 LEU B 341 6.768 5.897 -6.048 1.00 45.14 H new ATOM 0 HG LEU B 341 7.281 2.965 -6.524 1.00 73.23 H new ATOM 0 HD11 LEU B 341 5.324 2.698 -5.061 1.00 65.35 H new ATOM 0 HD12 LEU B 341 6.629 3.616 -4.273 1.00 65.35 H new ATOM 0 HD13 LEU B 341 5.202 4.467 -4.910 1.00 65.35 H new ATOM 0 HD21 LEU B 341 5.048 2.777 -7.530 1.00 55.44 H new ATOM 0 HD22 LEU B 341 4.907 4.551 -7.540 1.00 55.44 H new ATOM 0 HD23 LEU B 341 6.153 3.751 -8.528 1.00 55.44 H new ATOM 2172 N SER B 342 8.676 7.731 -8.452 1.00 53.43 N ATOM 2173 CA SER B 342 9.625 8.830 -8.496 1.00 62.22 C ATOM 2174 C SER B 342 9.174 9.950 -7.558 1.00 15.10 C ATOM 2175 O SER B 342 8.017 10.367 -7.593 1.00 21.54 O ATOM 2176 CB SER B 342 9.784 9.364 -9.921 1.00 33.03 C ATOM 2177 OG SER B 342 9.579 8.346 -10.898 1.00 21.10 O ATOM 0 H SER B 342 7.800 7.904 -8.945 1.00 53.43 H new ATOM 0 HA SER B 342 10.594 8.457 -8.166 1.00 62.22 H new ATOM 0 HB2 SER B 342 9.073 10.174 -10.086 1.00 33.03 H new ATOM 0 HB3 SER B 342 10.782 9.786 -10.041 1.00 33.03 H new ATOM 0 HG SER B 342 9.687 8.727 -11.795 1.00 21.10 H new ATOM 2183 N SER B 343 10.110 10.406 -6.738 1.00 0.25 N ATOM 2184 CA SER B 343 9.822 11.471 -5.791 1.00 53.03 C ATOM 2185 C SER B 343 9.960 12.832 -6.476 1.00 5.52 C ATOM 2186 O SER B 343 9.827 13.872 -5.832 1.00 30.55 O ATOM 2187 CB SER B 343 10.749 11.392 -4.576 1.00 24.32 C ATOM 2188 OG SER B 343 11.797 12.354 -4.641 1.00 14.53 O ATOM 0 H SER B 343 11.068 10.058 -6.710 1.00 0.25 H new ATOM 0 HA SER B 343 8.797 11.350 -5.441 1.00 53.03 H new ATOM 0 HB2 SER B 343 10.169 11.549 -3.667 1.00 24.32 H new ATOM 0 HB3 SER B 343 11.178 10.392 -4.512 1.00 24.32 H new ATOM 0 HG SER B 343 12.366 12.273 -3.847 1.00 14.53 H new ATOM 2194 N LYS B 344 10.223 12.781 -7.773 1.00 41.31 N ATOM 2195 CA LYS B 344 10.380 13.998 -8.552 1.00 25.42 C ATOM 2196 C LYS B 344 9.043 14.357 -9.205 1.00 71.41 C ATOM 2197 O LYS B 344 8.757 15.530 -9.437 1.00 5.30 O ATOM 2198 CB LYS B 344 11.531 13.851 -9.550 1.00 31.02 C ATOM 2199 CG LYS B 344 11.486 12.486 -10.241 1.00 5.42 C ATOM 2200 CD LYS B 344 12.445 11.500 -9.570 1.00 64.43 C ATOM 2201 CE LYS B 344 13.091 10.575 -10.602 1.00 14.43 C ATOM 2202 NZ LYS B 344 14.351 11.161 -11.108 1.00 22.20 N ATOM 0 H LYS B 344 10.331 11.917 -8.304 1.00 41.31 H new ATOM 0 HA LYS B 344 10.654 14.831 -7.905 1.00 25.42 H new ATOM 0 HB2 LYS B 344 11.473 14.643 -10.297 1.00 31.02 H new ATOM 0 HB3 LYS B 344 12.483 13.970 -9.033 1.00 31.02 H new ATOM 0 HG2 LYS B 344 10.471 12.091 -10.208 1.00 5.42 H new ATOM 0 HG3 LYS B 344 11.751 12.598 -11.292 1.00 5.42 H new ATOM 0 HD2 LYS B 344 13.219 12.048 -9.033 1.00 64.43 H new ATOM 0 HD3 LYS B 344 11.905 10.907 -8.832 1.00 64.43 H new ATOM 0 HE2 LYS B 344 13.291 9.602 -10.152 1.00 14.43 H new ATOM 0 HE3 LYS B 344 12.403 10.408 -11.430 1.00 14.43 H new ATOM 0 HZ1 LYS B 344 14.776 10.519 -11.808 1.00 22.20 H new ATOM 0 HZ2 LYS B 344 14.152 12.078 -11.555 1.00 22.20 H new ATOM 0 HZ3 LYS B 344 15.012 11.298 -10.317 1.00 22.20 H new ATOM 2215 N GLU B 345 8.260 13.325 -9.482 1.00 53.15 N ATOM 2216 CA GLU B 345 6.961 13.517 -10.102 1.00 4.44 C ATOM 2217 C GLU B 345 5.920 13.903 -9.048 1.00 23.22 C ATOM 2218 O GLU B 345 4.754 14.123 -9.372 1.00 21.12 O ATOM 2219 CB GLU B 345 6.527 12.264 -10.866 1.00 53.02 C ATOM 2220 CG GLU B 345 7.666 11.733 -11.739 1.00 14.22 C ATOM 2221 CD GLU B 345 7.408 10.283 -12.155 1.00 0.42 C ATOM 2222 OE1 GLU B 345 6.734 9.540 -11.426 1.00 61.52 O ATOM 2223 OE2 GLU B 345 7.935 9.938 -13.280 1.00 24.43 O ATOM 0 H GLU B 345 8.501 12.353 -9.288 1.00 53.15 H new ATOM 0 HA GLU B 345 7.042 14.332 -10.821 1.00 4.44 H new ATOM 0 HB2 GLU B 345 6.215 11.494 -10.161 1.00 53.02 H new ATOM 0 HB3 GLU B 345 5.663 12.495 -11.489 1.00 53.02 H new ATOM 0 HG2 GLU B 345 7.770 12.357 -12.627 1.00 14.22 H new ATOM 0 HG3 GLU B 345 8.607 11.796 -11.193 1.00 14.22 H new ATOM 2231 N VAL B 346 6.381 13.973 -7.807 1.00 4.42 N ATOM 2232 CA VAL B 346 5.505 14.329 -6.704 1.00 33.24 C ATOM 2233 C VAL B 346 5.233 15.834 -6.738 1.00 64.22 C ATOM 2234 O VAL B 346 5.685 16.529 -7.647 1.00 4.44 O ATOM 2235 CB VAL B 346 6.115 13.863 -5.380 1.00 73.12 C ATOM 2236 CG1 VAL B 346 6.567 12.404 -5.469 1.00 34.11 C ATOM 2237 CG2 VAL B 346 7.272 14.771 -4.960 1.00 13.23 C ATOM 0 H VAL B 346 7.349 13.789 -7.542 1.00 4.42 H new ATOM 0 HA VAL B 346 4.545 13.823 -6.802 1.00 33.24 H new ATOM 0 HB VAL B 346 5.343 13.929 -4.613 1.00 73.12 H new ATOM 0 HG11 VAL B 346 6.997 12.097 -4.515 1.00 34.11 H new ATOM 0 HG12 VAL B 346 5.710 11.771 -5.701 1.00 34.11 H new ATOM 0 HG13 VAL B 346 7.316 12.302 -6.254 1.00 34.11 H new ATOM 0 HG21 VAL B 346 7.688 14.418 -4.016 1.00 13.23 H new ATOM 0 HG22 VAL B 346 8.046 14.752 -5.727 1.00 13.23 H new ATOM 0 HG23 VAL B 346 6.908 15.791 -4.837 1.00 13.23 H new ATOM 2247 N ASP B 347 4.496 16.294 -5.738 1.00 64.45 N ATOM 2248 CA ASP B 347 4.158 17.703 -5.643 1.00 13.23 C ATOM 2249 C ASP B 347 5.436 18.538 -5.754 1.00 41.10 C ATOM 2250 O ASP B 347 5.406 19.665 -6.246 1.00 60.02 O ATOM 2251 CB ASP B 347 3.499 18.023 -4.300 1.00 11.14 C ATOM 2252 CG ASP B 347 2.997 19.461 -4.152 1.00 55.41 C ATOM 2253 OD1 ASP B 347 2.033 19.872 -4.812 1.00 44.22 O ATOM 2254 OD2 ASP B 347 3.651 20.180 -3.303 1.00 54.24 O ATOM 0 H ASP B 347 4.123 15.715 -4.986 1.00 64.45 H new ATOM 0 HA ASP B 347 3.464 17.938 -6.450 1.00 13.23 H new ATOM 0 HB2 ASP B 347 2.659 17.344 -4.154 1.00 11.14 H new ATOM 0 HB3 ASP B 347 4.215 17.820 -3.504 1.00 11.14 H new