USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 882 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 97 GLN : amide:sc= -0.928 K(o=-0.67,f=-1.5) USER MOD Set 1.2: A 103 SER OG : rot -120:sc= 0.256 USER MOD Set 2.1: A 50 THR OG1 : rot 96:sc= 0.525 USER MOD Set 2.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 14 LYS NZ :NH3+ 173:sc= 0.00167 (180deg=0) USER MOD Set 3.2: A 122 SER OG : rot -160:sc= 0.00203 USER MOD Set 4.1: A 12 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 126 HIS : no HE2:sc= -5.47 K(o=-5.5,f=-9.1!) USER MOD Single : A 9 SER OG : rot 83:sc= 1.02 USER MOD Single : A 18 SER OG : rot 5:sc= 0.0412 USER MOD Single : A 20 TYR OH : rot -66:sc= -1.96! USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 174:sc= -1.87 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= 0.0863 (180deg=0.0456) USER MOD Single : A 63 LYS NZ :NH3+ -142:sc= -0.0346 (180deg=-1.22) USER MOD Single : A 65 SER OG : rot 55:sc= 0.343 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.328 F(o=-2,f=-0.33) USER MOD Single : A 76 GLN : amide:sc= -0.598 K(o=-0.6,f=-1.5) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0237 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -120:sc= -0.525 USER MOD Single : A 91 TYR OH : rot -96:sc= 0.686 USER MOD Single : A 100 THR OG1 : rot -75:sc= 0.286 USER MOD Single : A 111 THR OG1 : rot 114:sc= 0.21 USER MOD Single : A 120 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.097) USER MOD Single : A 124 GLN : amide:sc= -2! C(o=-2!,f=-1.7!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 125 N SER A 9 2.235 17.266 4.570 1.00 0.00 N ATOM 126 CA SER A 9 2.121 15.832 4.819 1.00 0.00 C ATOM 127 C SER A 9 2.362 15.039 3.539 1.00 0.00 C ATOM 128 O SER A 9 2.470 15.612 2.455 1.00 0.00 O ATOM 129 CB SER A 9 0.740 15.498 5.381 1.00 0.00 C ATOM 130 OG SER A 9 0.632 14.117 5.685 1.00 0.00 O ATOM 0 HA SER A 9 2.881 15.555 5.550 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.558 16.087 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.027 15.775 4.658 1.00 0.00 H new ATOM 0 HG SER A 9 1.019 13.945 6.569 1.00 0.00 H new ATOM 136 N VAL A 10 2.447 13.718 3.671 1.00 0.00 N ATOM 137 CA VAL A 10 2.678 12.840 2.532 1.00 0.00 C ATOM 138 C VAL A 10 1.580 13.007 1.479 1.00 0.00 C ATOM 139 O VAL A 10 1.860 13.428 0.359 1.00 0.00 O ATOM 140 CB VAL A 10 2.760 11.363 2.996 1.00 0.00 C ATOM 141 CG1 VAL A 10 2.237 10.404 1.935 1.00 0.00 C ATOM 142 CG2 VAL A 10 4.190 11.006 3.379 1.00 0.00 C ATOM 0 H VAL A 10 2.358 13.231 4.563 1.00 0.00 H new ATOM 0 HA VAL A 10 3.629 13.118 2.078 1.00 0.00 H new ATOM 0 HB VAL A 10 2.121 11.259 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.313 9.380 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.194 10.636 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.829 10.509 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.231 9.966 3.703 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.843 11.144 2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.521 11.652 4.192 1.00 0.00 H new ATOM 152 N LEU A 11 0.339 12.669 1.841 1.00 0.00 N ATOM 153 CA LEU A 11 -0.798 12.780 0.930 1.00 0.00 C ATOM 154 C LEU A 11 -0.862 11.583 -0.005 1.00 0.00 C ATOM 155 O LEU A 11 -0.298 11.604 -1.100 1.00 0.00 O ATOM 156 CB LEU A 11 -0.752 14.086 0.117 1.00 0.00 C ATOM 157 CG LEU A 11 -1.700 14.139 -1.091 1.00 0.00 C ATOM 158 CD1 LEU A 11 -2.548 15.405 -1.053 1.00 0.00 C ATOM 159 CD2 LEU A 11 -0.911 14.059 -2.393 1.00 0.00 C ATOM 0 H LEU A 11 0.098 12.314 2.766 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.700 12.797 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.989 14.917 0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.268 14.240 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.368 13.279 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.213 15.424 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.141 15.418 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.898 16.279 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.598 14.098 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.218 14.898 -2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.352 13.124 -2.423 1.00 0.00 H new ATOM 171 N CYS A 12 -1.565 10.544 0.426 1.00 0.00 N ATOM 172 CA CYS A 12 -1.713 9.344 -0.389 1.00 0.00 C ATOM 173 C CYS A 12 -3.138 8.807 -0.297 1.00 0.00 C ATOM 174 O CYS A 12 -3.696 8.694 0.791 1.00 0.00 O ATOM 175 CB CYS A 12 -0.709 8.281 0.054 1.00 0.00 C ATOM 176 SG CYS A 12 0.372 7.691 -1.270 1.00 0.00 S ATOM 0 H CYS A 12 -2.039 10.507 1.328 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.512 9.601 -1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.094 8.689 0.856 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -1.253 7.433 0.469 1.00 0.00 H new ATOM 0 HG CYS A 12 1.188 6.796 -0.798 1.00 0.00 H new ATOM 182 N VAL A 13 -3.733 8.483 -1.445 1.00 0.00 N ATOM 183 CA VAL A 13 -5.101 7.972 -1.472 1.00 0.00 C ATOM 184 C VAL A 13 -5.368 7.118 -2.706 1.00 0.00 C ATOM 185 O VAL A 13 -4.668 7.229 -3.711 1.00 0.00 O ATOM 186 CB VAL A 13 -6.138 9.113 -1.423 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.427 9.514 0.011 1.00 0.00 C ATOM 188 CG2 VAL A 13 -5.665 10.314 -2.230 1.00 0.00 C ATOM 0 H VAL A 13 -3.292 8.565 -2.361 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.206 7.352 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.062 8.747 -1.870 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.161 10.320 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.821 8.656 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.507 9.854 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.414 11.104 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.723 10.680 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.518 10.019 -3.269 1.00 0.00 H new ATOM 198 N LYS A 14 -6.390 6.264 -2.623 1.00 0.00 N ATOM 199 CA LYS A 14 -6.739 5.394 -3.740 1.00 0.00 C ATOM 200 C LYS A 14 -8.073 4.685 -3.508 1.00 0.00 C ATOM 201 O LYS A 14 -8.115 3.580 -2.964 1.00 0.00 O ATOM 202 CB LYS A 14 -5.640 4.358 -3.958 1.00 0.00 C ATOM 203 CG LYS A 14 -5.832 3.522 -5.209 1.00 0.00 C ATOM 204 CD LYS A 14 -5.903 4.393 -6.453 1.00 0.00 C ATOM 205 CE LYS A 14 -4.531 4.600 -7.070 1.00 0.00 C ATOM 206 NZ LYS A 14 -4.105 6.025 -7.008 1.00 0.00 N ATOM 0 H LYS A 14 -6.984 6.159 -1.800 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.838 6.019 -4.627 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.678 4.868 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.599 3.697 -3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.009 2.814 -5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.747 2.937 -5.120 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.565 3.930 -7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.337 5.360 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.801 3.980 -6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.546 4.270 -8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.119 6.107 -7.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.718 6.598 -7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -4.179 6.367 -6.029 1.00 0.00 H new ATOM 220 N PRO A 15 -9.186 5.317 -3.922 1.00 0.00 N ATOM 221 CA PRO A 15 -10.526 4.748 -3.759 1.00 0.00 C ATOM 222 C PRO A 15 -10.815 3.616 -4.736 1.00 0.00 C ATOM 223 O PRO A 15 -11.749 2.839 -4.538 1.00 0.00 O ATOM 224 CB PRO A 15 -11.444 5.939 -4.028 1.00 0.00 C ATOM 225 CG PRO A 15 -10.669 6.807 -4.958 1.00 0.00 C ATOM 226 CD PRO A 15 -9.222 6.639 -4.577 1.00 0.00 C ATOM 0 HA PRO A 15 -10.657 4.298 -2.775 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.386 5.621 -4.475 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.690 6.466 -3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -10.836 6.514 -5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.978 7.848 -4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.571 6.671 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.891 7.429 -3.903 1.00 0.00 H new ATOM 234 N ASP A 16 -10.013 3.519 -5.786 1.00 0.00 N ATOM 235 CA ASP A 16 -10.200 2.476 -6.779 1.00 0.00 C ATOM 236 C ASP A 16 -9.031 1.501 -6.749 1.00 0.00 C ATOM 237 O ASP A 16 -8.024 1.709 -7.422 1.00 0.00 O ATOM 238 CB ASP A 16 -10.348 3.088 -8.171 1.00 0.00 C ATOM 239 CG ASP A 16 -11.698 3.749 -8.366 1.00 0.00 C ATOM 240 OD1 ASP A 16 -12.722 3.127 -8.009 1.00 0.00 O ATOM 241 OD2 ASP A 16 -11.734 4.890 -8.874 1.00 0.00 O ATOM 0 H ASP A 16 -9.231 4.147 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 16 -11.113 1.930 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.559 3.824 -8.328 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.214 2.311 -8.924 1.00 0.00 H new ATOM 246 N VAL A 17 -9.166 0.443 -5.954 1.00 0.00 N ATOM 247 CA VAL A 17 -8.113 -0.554 -5.829 1.00 0.00 C ATOM 248 C VAL A 17 -8.637 -1.817 -5.145 1.00 0.00 C ATOM 249 O VAL A 17 -9.637 -1.772 -4.423 1.00 0.00 O ATOM 250 CB VAL A 17 -6.912 0.012 -5.043 1.00 0.00 C ATOM 251 CG1 VAL A 17 -7.335 0.415 -3.639 1.00 0.00 C ATOM 252 CG2 VAL A 17 -5.764 -0.983 -4.995 1.00 0.00 C ATOM 0 H VAL A 17 -9.994 0.256 -5.388 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.781 -0.815 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.558 0.900 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.475 0.812 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.110 1.179 -3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.723 -0.456 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.934 -0.554 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.097 -1.899 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.437 -1.211 -6.010 1.00 0.00 H new ATOM 262 N SER A 18 -7.955 -2.940 -5.372 1.00 0.00 N ATOM 263 CA SER A 18 -8.351 -4.217 -4.779 1.00 0.00 C ATOM 264 C SER A 18 -7.264 -4.743 -3.844 1.00 0.00 C ATOM 265 O SER A 18 -6.098 -4.831 -4.225 1.00 0.00 O ATOM 266 CB SER A 18 -8.640 -5.242 -5.876 1.00 0.00 C ATOM 267 OG SER A 18 -9.520 -6.252 -5.413 1.00 0.00 O ATOM 0 H SER A 18 -7.125 -2.991 -5.963 1.00 0.00 H new ATOM 0 HA SER A 18 -9.257 -4.055 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.079 -4.741 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.706 -5.694 -6.210 1.00 0.00 H new ATOM 0 HG SER A 18 -9.816 -6.036 -4.504 1.00 0.00 H new ATOM 273 N VAL A 19 -7.655 -5.081 -2.618 1.00 0.00 N ATOM 274 CA VAL A 19 -6.714 -5.579 -1.616 1.00 0.00 C ATOM 275 C VAL A 19 -7.073 -6.995 -1.167 1.00 0.00 C ATOM 276 O VAL A 19 -8.248 -7.347 -1.068 1.00 0.00 O ATOM 277 CB VAL A 19 -6.678 -4.631 -0.394 1.00 0.00 C ATOM 278 CG1 VAL A 19 -8.075 -4.125 -0.073 1.00 0.00 C ATOM 279 CG2 VAL A 19 -6.060 -5.299 0.828 1.00 0.00 C ATOM 0 H VAL A 19 -8.620 -5.019 -2.293 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.726 -5.610 -2.076 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.045 -3.784 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.032 -3.459 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.471 -3.582 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.725 -4.970 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.055 -4.598 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.645 -6.178 1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.037 -5.599 0.600 1.00 0.00 H new ATOM 289 N TYR A 20 -6.046 -7.801 -0.897 1.00 0.00 N ATOM 290 CA TYR A 20 -6.251 -9.178 -0.457 1.00 0.00 C ATOM 291 C TYR A 20 -5.667 -9.415 0.932 1.00 0.00 C ATOM 292 O TYR A 20 -4.864 -8.623 1.429 1.00 0.00 O ATOM 293 CB TYR A 20 -5.644 -10.165 -1.461 1.00 0.00 C ATOM 294 CG TYR A 20 -4.135 -10.100 -1.584 1.00 0.00 C ATOM 295 CD1 TYR A 20 -3.520 -9.235 -2.483 1.00 0.00 C ATOM 296 CD2 TYR A 20 -3.327 -10.917 -0.806 1.00 0.00 C ATOM 297 CE1 TYR A 20 -2.144 -9.189 -2.598 1.00 0.00 C ATOM 298 CE2 TYR A 20 -1.952 -10.878 -0.917 1.00 0.00 C ATOM 299 CZ TYR A 20 -1.365 -10.010 -1.815 1.00 0.00 C ATOM 300 OH TYR A 20 0.004 -9.963 -1.935 1.00 0.00 O ATOM 0 H TYR A 20 -5.067 -7.524 -0.975 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.327 -9.346 -0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.927 -11.177 -1.171 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.083 -9.980 -2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.127 -8.590 -3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.783 -11.596 -0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.681 -8.511 -3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.339 -11.523 -0.305 1.00 0.00 H new ATOM 0 HH TYR A 20 0.266 -10.281 -2.824 1.00 0.00 H new ATOM 310 N ARG A 21 -6.080 -10.516 1.551 1.00 0.00 N ATOM 311 CA ARG A 21 -5.608 -10.875 2.885 1.00 0.00 C ATOM 312 C ARG A 21 -5.195 -12.340 2.935 1.00 0.00 C ATOM 313 O ARG A 21 -5.750 -13.176 2.223 1.00 0.00 O ATOM 314 CB ARG A 21 -6.696 -10.609 3.927 1.00 0.00 C ATOM 315 CG ARG A 21 -6.224 -10.798 5.360 1.00 0.00 C ATOM 316 CD ARG A 21 -6.938 -9.848 6.308 1.00 0.00 C ATOM 317 NE ARG A 21 -7.938 -10.535 7.121 1.00 0.00 N ATOM 318 CZ ARG A 21 -7.705 -11.019 8.339 1.00 0.00 C ATOM 319 NH1 ARG A 21 -6.503 -10.908 8.892 1.00 0.00 N ATOM 320 NH2 ARG A 21 -8.677 -11.625 9.007 1.00 0.00 N ATOM 0 H ARG A 21 -6.743 -11.178 1.149 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.739 -10.258 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.063 -9.590 3.805 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.538 -11.275 3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.403 -11.827 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.148 -10.630 5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.207 -9.369 6.960 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.419 -9.056 5.734 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.873 -10.651 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.748 -10.449 8.383 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.335 -11.282 9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.602 -11.720 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.500 -11.996 9.940 1.00 0.00 H new ATOM 334 N ILE A 22 -4.219 -12.646 3.783 1.00 0.00 N ATOM 335 CA ILE A 22 -3.736 -14.013 3.925 1.00 0.00 C ATOM 336 C ILE A 22 -4.064 -14.569 5.308 1.00 0.00 C ATOM 337 O ILE A 22 -3.310 -14.365 6.259 1.00 0.00 O ATOM 338 CB ILE A 22 -2.211 -14.120 3.698 1.00 0.00 C ATOM 339 CG1 ILE A 22 -1.689 -12.933 2.882 1.00 0.00 C ATOM 340 CG2 ILE A 22 -1.874 -15.434 3.004 1.00 0.00 C ATOM 341 CD1 ILE A 22 -2.432 -12.713 1.583 1.00 0.00 C ATOM 0 H ILE A 22 -3.748 -11.967 4.381 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.246 -14.597 3.159 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.720 -14.099 4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.758 -12.029 3.487 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.633 -13.090 2.664 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.797 -15.498 2.849 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.202 -16.268 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.382 -15.477 2.041 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.006 -11.856 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.342 -13.601 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.485 -12.523 1.793 1.00 0.00 H new ATOM 492 N ARG A 32 6.126 -17.601 -3.552 1.00 0.00 N ATOM 493 CA ARG A 32 5.942 -16.710 -4.690 1.00 0.00 C ATOM 494 C ARG A 32 4.606 -16.955 -5.387 1.00 0.00 C ATOM 495 O ARG A 32 3.983 -18.009 -5.223 1.00 0.00 O ATOM 496 CB ARG A 32 7.089 -16.898 -5.690 1.00 0.00 C ATOM 497 CG ARG A 32 7.449 -18.355 -5.951 1.00 0.00 C ATOM 498 CD ARG A 32 8.937 -18.601 -5.755 1.00 0.00 C ATOM 499 NE ARG A 32 9.308 -19.990 -6.006 1.00 0.00 N ATOM 500 CZ ARG A 32 10.561 -20.401 -6.168 1.00 0.00 C ATOM 501 NH1 ARG A 32 11.562 -19.529 -6.106 1.00 0.00 N ATOM 502 NH2 ARG A 32 10.816 -21.683 -6.392 1.00 0.00 N ATOM 0 HA ARG A 32 5.943 -15.686 -4.315 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.815 -16.427 -6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.971 -16.377 -5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.880 -18.998 -5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.164 -18.625 -6.968 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.501 -17.950 -6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.216 -18.331 -4.736 1.00 0.00 H new ATOM 0 HE ARG A 32 8.563 -20.685 -6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.369 -18.542 -5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.523 -19.846 -6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.050 -22.355 -6.440 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.778 -21.997 -6.516 1.00 0.00 H new ATOM 516 N ALA A 33 4.174 -15.970 -6.171 1.00 0.00 N ATOM 517 CA ALA A 33 2.916 -16.062 -6.907 1.00 0.00 C ATOM 518 C ALA A 33 2.909 -17.233 -7.890 1.00 0.00 C ATOM 519 O ALA A 33 1.906 -17.474 -8.560 1.00 0.00 O ATOM 520 CB ALA A 33 2.654 -14.764 -7.652 1.00 0.00 C ATOM 0 H ALA A 33 4.679 -15.095 -6.313 1.00 0.00 H new ATOM 0 HA ALA A 33 2.124 -16.237 -6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.714 -14.841 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.593 -13.941 -6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.467 -14.577 -8.354 1.00 0.00 H new ATOM 526 N SER A 34 4.015 -17.972 -7.968 1.00 0.00 N ATOM 527 CA SER A 34 4.094 -19.118 -8.862 1.00 0.00 C ATOM 528 C SER A 34 3.032 -20.145 -8.485 1.00 0.00 C ATOM 529 O SER A 34 2.502 -20.854 -9.340 1.00 0.00 O ATOM 530 CB SER A 34 5.486 -19.750 -8.797 1.00 0.00 C ATOM 531 OG SER A 34 5.737 -20.573 -9.926 1.00 0.00 O ATOM 0 H SER A 34 4.861 -17.797 -7.426 1.00 0.00 H new ATOM 0 HA SER A 34 3.915 -18.780 -9.883 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.241 -18.965 -8.742 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.576 -20.342 -7.886 1.00 0.00 H new ATOM 0 HG SER A 34 6.634 -20.961 -9.855 1.00 0.00 H new ATOM 537 N ASP A 35 2.736 -20.215 -7.189 1.00 0.00 N ATOM 538 CA ASP A 35 1.746 -21.152 -6.682 1.00 0.00 C ATOM 539 C ASP A 35 0.987 -20.575 -5.483 1.00 0.00 C ATOM 540 O ASP A 35 0.322 -21.313 -4.756 1.00 0.00 O ATOM 541 CB ASP A 35 2.420 -22.471 -6.290 1.00 0.00 C ATOM 542 CG ASP A 35 2.409 -23.482 -7.420 1.00 0.00 C ATOM 543 OD1 ASP A 35 1.333 -23.698 -8.015 1.00 0.00 O ATOM 544 OD2 ASP A 35 3.479 -24.060 -7.710 1.00 0.00 O ATOM 0 H ASP A 35 3.170 -19.632 -6.473 1.00 0.00 H new ATOM 0 HA ASP A 35 1.025 -21.337 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.450 -22.275 -5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.911 -22.893 -5.423 1.00 0.00 H new ATOM 549 N TRP A 36 1.090 -19.260 -5.276 1.00 0.00 N ATOM 550 CA TRP A 36 0.402 -18.613 -4.160 1.00 0.00 C ATOM 551 C TRP A 36 -1.095 -18.513 -4.440 1.00 0.00 C ATOM 552 O TRP A 36 -1.911 -18.904 -3.607 1.00 0.00 O ATOM 553 CB TRP A 36 0.994 -17.221 -3.899 1.00 0.00 C ATOM 554 CG TRP A 36 1.072 -16.844 -2.446 1.00 0.00 C ATOM 555 CD1 TRP A 36 0.846 -15.604 -1.920 1.00 0.00 C ATOM 556 CD2 TRP A 36 1.409 -17.694 -1.337 1.00 0.00 C ATOM 557 NE1 TRP A 36 1.016 -15.629 -0.558 1.00 0.00 N ATOM 558 CE2 TRP A 36 1.359 -16.899 -0.175 1.00 0.00 C ATOM 559 CE3 TRP A 36 1.740 -19.048 -1.207 1.00 0.00 C ATOM 560 CZ2 TRP A 36 1.635 -17.410 1.091 1.00 0.00 C ATOM 561 CZ3 TRP A 36 2.012 -19.550 0.053 1.00 0.00 C ATOM 562 CH2 TRP A 36 1.955 -18.734 1.187 1.00 0.00 C ATOM 0 H TRP A 36 1.638 -18.629 -5.861 1.00 0.00 H new ATOM 0 HA TRP A 36 0.545 -19.222 -3.267 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.995 -17.179 -4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.392 -16.479 -4.423 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.573 -14.730 -2.493 1.00 0.00 H new ATOM 0 HE1 TRP A 36 0.905 -14.831 0.068 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.782 -19.689 -2.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.597 -16.780 1.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 2.273 -20.592 0.163 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.168 -19.159 2.157 1.00 0.00 H new ATOM 573 N LYS A 37 -1.448 -18.009 -5.622 1.00 0.00 N ATOM 574 CA LYS A 37 -2.850 -17.876 -6.014 1.00 0.00 C ATOM 575 C LYS A 37 -3.644 -17.081 -4.973 1.00 0.00 C ATOM 576 O LYS A 37 -3.307 -17.075 -3.790 1.00 0.00 O ATOM 577 CB LYS A 37 -3.497 -19.255 -6.209 1.00 0.00 C ATOM 578 CG LYS A 37 -2.532 -20.360 -6.633 1.00 0.00 C ATOM 579 CD LYS A 37 -2.428 -20.466 -8.147 1.00 0.00 C ATOM 580 CE LYS A 37 -2.811 -21.854 -8.637 1.00 0.00 C ATOM 581 NZ LYS A 37 -1.726 -22.845 -8.398 1.00 0.00 N ATOM 0 H LYS A 37 -0.782 -17.686 -6.324 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.872 -17.335 -6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.978 -19.550 -5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.282 -19.170 -6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.546 -20.162 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.867 -21.313 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.078 -19.724 -8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.409 -20.237 -8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.719 -22.180 -8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.038 -21.813 -9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.026 -23.778 -8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.867 -22.547 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.527 -22.903 -7.379 1.00 0.00 H new ATOM 595 N LEU A 38 -4.700 -16.407 -5.420 1.00 0.00 N ATOM 596 CA LEU A 38 -5.528 -15.612 -4.519 1.00 0.00 C ATOM 597 C LEU A 38 -6.757 -15.074 -5.235 1.00 0.00 C ATOM 598 O LEU A 38 -6.989 -13.865 -5.281 1.00 0.00 O ATOM 599 CB LEU A 38 -4.720 -14.451 -3.940 1.00 0.00 C ATOM 600 CG LEU A 38 -3.948 -13.626 -4.973 1.00 0.00 C ATOM 601 CD1 LEU A 38 -4.605 -12.268 -5.185 1.00 0.00 C ATOM 602 CD2 LEU A 38 -2.501 -13.457 -4.543 1.00 0.00 C ATOM 0 H LEU A 38 -5.001 -16.395 -6.394 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.857 -16.262 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.397 -13.789 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.013 -14.847 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.968 -14.163 -5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.038 -11.701 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.625 -12.409 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.622 -11.721 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.966 -12.868 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.465 -12.945 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.032 -14.437 -4.450 1.00 0.00 H new ATOM 614 N ASP A 39 -7.552 -15.980 -5.785 1.00 0.00 N ATOM 615 CA ASP A 39 -8.766 -15.598 -6.485 1.00 0.00 C ATOM 616 C ASP A 39 -9.897 -15.331 -5.497 1.00 0.00 C ATOM 617 O ASP A 39 -10.884 -14.679 -5.835 1.00 0.00 O ATOM 618 CB ASP A 39 -9.179 -16.684 -7.476 1.00 0.00 C ATOM 619 CG ASP A 39 -8.402 -16.605 -8.776 1.00 0.00 C ATOM 620 OD1 ASP A 39 -7.181 -16.350 -8.724 1.00 0.00 O ATOM 621 OD2 ASP A 39 -9.018 -16.796 -9.846 1.00 0.00 O ATOM 0 H ASP A 39 -7.377 -16.985 -5.759 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.564 -14.680 -7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.025 -17.663 -7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.245 -16.594 -7.687 1.00 0.00 H new ATOM 626 N GLN A 40 -9.753 -15.841 -4.273 1.00 0.00 N ATOM 627 CA GLN A 40 -10.772 -15.646 -3.247 1.00 0.00 C ATOM 628 C GLN A 40 -10.495 -14.389 -2.416 1.00 0.00 C ATOM 629 O GLN A 40 -11.292 -13.452 -2.432 1.00 0.00 O ATOM 630 CB GLN A 40 -10.888 -16.878 -2.341 1.00 0.00 C ATOM 631 CG GLN A 40 -12.314 -17.168 -1.899 1.00 0.00 C ATOM 632 CD GLN A 40 -12.732 -18.603 -2.154 1.00 0.00 C ATOM 633 OE1 GLN A 40 -13.384 -18.904 -3.154 1.00 0.00 O ATOM 634 NE2 GLN A 40 -12.364 -19.498 -1.243 1.00 0.00 N ATOM 0 H GLN A 40 -8.946 -16.388 -3.972 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.725 -15.508 -3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.495 -17.747 -2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.264 -16.732 -1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.410 -16.951 -0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.995 -16.498 -2.424 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.824 -19.205 -0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.622 -20.478 -1.358 1.00 0.00 H new ATOM 643 N PRO A 41 -9.366 -14.334 -1.676 1.00 0.00 N ATOM 644 CA PRO A 41 -9.030 -13.161 -0.858 1.00 0.00 C ATOM 645 C PRO A 41 -8.688 -11.942 -1.706 1.00 0.00 C ATOM 646 O PRO A 41 -7.583 -11.837 -2.236 1.00 0.00 O ATOM 647 CB PRO A 41 -7.805 -13.614 -0.061 1.00 0.00 C ATOM 648 CG PRO A 41 -7.192 -14.688 -0.890 1.00 0.00 C ATOM 649 CD PRO A 41 -8.333 -15.386 -1.576 1.00 0.00 C ATOM 0 HA PRO A 41 -9.868 -12.851 -0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.109 -12.790 0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.088 -13.986 0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.497 -14.270 -1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -6.625 -15.383 -0.271 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.043 -15.760 -2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.685 -16.242 -1.000 1.00 0.00 H new ATOM 657 N ASP A 42 -9.649 -11.032 -1.847 1.00 0.00 N ATOM 658 CA ASP A 42 -9.455 -9.825 -2.642 1.00 0.00 C ATOM 659 C ASP A 42 -10.663 -8.892 -2.503 1.00 0.00 C ATOM 660 O ASP A 42 -11.493 -8.800 -3.406 1.00 0.00 O ATOM 661 CB ASP A 42 -9.241 -10.198 -4.112 1.00 0.00 C ATOM 662 CG ASP A 42 -7.805 -9.992 -4.556 1.00 0.00 C ATOM 663 OD1 ASP A 42 -7.224 -8.940 -4.217 1.00 0.00 O ATOM 664 OD2 ASP A 42 -7.263 -10.883 -5.244 1.00 0.00 O ATOM 0 H ASP A 42 -10.572 -11.109 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.571 -9.302 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -9.520 -11.241 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.902 -9.597 -4.737 1.00 0.00 H new ATOM 669 N TRP A 43 -10.762 -8.208 -1.364 1.00 0.00 N ATOM 670 CA TRP A 43 -11.875 -7.297 -1.120 1.00 0.00 C ATOM 671 C TRP A 43 -11.709 -6.005 -1.919 1.00 0.00 C ATOM 672 O TRP A 43 -10.615 -5.688 -2.385 1.00 0.00 O ATOM 673 CB TRP A 43 -12.039 -7.001 0.386 1.00 0.00 C ATOM 674 CG TRP A 43 -10.757 -6.865 1.164 1.00 0.00 C ATOM 675 CD1 TRP A 43 -9.850 -7.849 1.448 1.00 0.00 C ATOM 676 CD2 TRP A 43 -10.265 -5.676 1.798 1.00 0.00 C ATOM 677 NE1 TRP A 43 -8.815 -7.336 2.195 1.00 0.00 N ATOM 678 CE2 TRP A 43 -9.048 -6.006 2.424 1.00 0.00 C ATOM 679 CE3 TRP A 43 -10.732 -4.361 1.888 1.00 0.00 C ATOM 680 CZ2 TRP A 43 -8.294 -5.073 3.132 1.00 0.00 C ATOM 681 CZ3 TRP A 43 -9.983 -3.434 2.591 1.00 0.00 C ATOM 682 CH2 TRP A 43 -8.775 -3.794 3.204 1.00 0.00 C ATOM 0 H TRP A 43 -10.088 -8.268 -0.601 1.00 0.00 H new ATOM 0 HA TRP A 43 -12.786 -7.789 -1.460 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -12.610 -6.079 0.497 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -12.632 -7.799 0.833 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -9.934 -8.878 1.132 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.005 -7.861 2.525 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -11.661 -4.074 1.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -7.364 -5.349 3.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.335 -2.416 2.669 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -8.212 -3.047 3.744 1.00 0.00 H new ATOM 693 N THR A 44 -12.806 -5.265 -2.076 1.00 0.00 N ATOM 694 CA THR A 44 -12.784 -4.010 -2.819 1.00 0.00 C ATOM 695 C THR A 44 -13.039 -2.825 -1.892 1.00 0.00 C ATOM 696 O THR A 44 -14.000 -2.821 -1.121 1.00 0.00 O ATOM 697 CB THR A 44 -13.823 -4.035 -3.940 1.00 0.00 C ATOM 698 OG1 THR A 44 -14.742 -5.098 -3.751 1.00 0.00 O ATOM 699 CG2 THR A 44 -13.214 -4.191 -5.320 1.00 0.00 C ATOM 0 H THR A 44 -13.720 -5.515 -1.698 1.00 0.00 H new ATOM 0 HA THR A 44 -11.794 -3.895 -3.260 1.00 0.00 H new ATOM 0 HB THR A 44 -14.324 -3.068 -3.890 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.399 -5.095 -4.478 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.006 -4.201 -6.068 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.540 -3.357 -5.517 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.657 -5.127 -5.368 1.00 0.00 H new ATOM 707 N GLY A 45 -12.173 -1.817 -1.973 1.00 0.00 N ATOM 708 CA GLY A 45 -12.327 -0.643 -1.132 1.00 0.00 C ATOM 709 C GLY A 45 -11.276 0.416 -1.403 1.00 0.00 C ATOM 710 O GLY A 45 -10.487 0.289 -2.338 1.00 0.00 O ATOM 0 H GLY A 45 -11.371 -1.793 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.317 -0.215 -1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.273 -0.942 -0.085 1.00 0.00 H new ATOM 714 N ARG A 46 -11.265 1.464 -0.580 1.00 0.00 N ATOM 715 CA ARG A 46 -10.298 2.545 -0.740 1.00 0.00 C ATOM 716 C ARG A 46 -9.177 2.430 0.279 1.00 0.00 C ATOM 717 O ARG A 46 -9.419 2.190 1.462 1.00 0.00 O ATOM 718 CB ARG A 46 -10.974 3.918 -0.616 1.00 0.00 C ATOM 719 CG ARG A 46 -11.459 4.267 0.783 1.00 0.00 C ATOM 720 CD ARG A 46 -10.831 5.558 1.288 1.00 0.00 C ATOM 721 NE ARG A 46 -11.789 6.664 1.310 1.00 0.00 N ATOM 722 CZ ARG A 46 -11.437 7.951 1.327 1.00 0.00 C ATOM 723 NH1 ARG A 46 -10.157 8.297 1.319 1.00 0.00 N ATOM 724 NH2 ARG A 46 -12.371 8.893 1.349 1.00 0.00 N ATOM 0 H ARG A 46 -11.912 1.586 0.199 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.874 2.455 -1.740 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -10.271 4.684 -0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.823 3.952 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.544 4.367 0.778 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.217 3.453 1.466 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.437 5.400 2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.987 5.823 0.652 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.784 6.438 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.434 7.577 1.300 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.895 9.283 1.332 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.357 8.633 1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.103 9.877 1.362 1.00 0.00 H new ATOM 738 N LEU A 47 -7.951 2.624 -0.180 1.00 0.00 N ATOM 739 CA LEU A 47 -6.799 2.562 0.702 1.00 0.00 C ATOM 740 C LEU A 47 -5.997 3.839 0.567 1.00 0.00 C ATOM 741 O LEU A 47 -5.937 4.435 -0.508 1.00 0.00 O ATOM 742 CB LEU A 47 -5.924 1.341 0.396 1.00 0.00 C ATOM 743 CG LEU A 47 -6.618 0.217 -0.378 1.00 0.00 C ATOM 744 CD1 LEU A 47 -5.647 -0.920 -0.680 1.00 0.00 C ATOM 745 CD2 LEU A 47 -7.828 -0.302 0.389 1.00 0.00 C ATOM 0 H LEU A 47 -7.729 2.825 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.151 2.459 1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.056 1.671 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.552 0.936 1.337 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.964 0.628 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.166 -1.705 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.820 -0.542 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.261 -1.327 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.305 -1.100 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.507 -0.688 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.539 0.510 0.540 1.00 0.00 H new ATOM 757 N ARG A 48 -5.410 4.275 1.663 1.00 0.00 N ATOM 758 CA ARG A 48 -4.643 5.507 1.660 1.00 0.00 C ATOM 759 C ARG A 48 -3.761 5.599 2.890 1.00 0.00 C ATOM 760 O ARG A 48 -3.899 4.806 3.819 1.00 0.00 O ATOM 761 CB ARG A 48 -5.598 6.702 1.623 1.00 0.00 C ATOM 762 CG ARG A 48 -6.853 6.515 2.457 1.00 0.00 C ATOM 763 CD ARG A 48 -6.653 7.000 3.879 1.00 0.00 C ATOM 764 NE ARG A 48 -7.879 7.572 4.421 1.00 0.00 N ATOM 765 CZ ARG A 48 -8.450 8.671 3.940 1.00 0.00 C ATOM 766 NH1 ARG A 48 -7.885 9.331 2.939 1.00 0.00 N ATOM 767 NH2 ARG A 48 -9.585 9.117 4.460 1.00 0.00 N ATOM 0 H ARG A 48 -5.448 3.798 2.564 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.004 5.515 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.069 7.588 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.886 6.892 0.589 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -7.680 7.058 1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.131 5.461 2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.328 6.170 4.506 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.859 7.747 3.903 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.322 7.104 5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.010 8.995 2.536 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.325 10.174 2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.024 8.616 5.233 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.020 9.961 4.087 1.00 0.00 H new ATOM 781 N ILE A 49 -2.867 6.579 2.905 1.00 0.00 N ATOM 782 CA ILE A 49 -1.986 6.768 4.044 1.00 0.00 C ATOM 783 C ILE A 49 -1.782 8.247 4.323 1.00 0.00 C ATOM 784 O ILE A 49 -1.881 9.089 3.423 1.00 0.00 O ATOM 785 CB ILE A 49 -0.612 6.099 3.840 1.00 0.00 C ATOM 786 CG1 ILE A 49 0.039 6.605 2.558 1.00 0.00 C ATOM 787 CG2 ILE A 49 -0.753 4.585 3.807 1.00 0.00 C ATOM 788 CD1 ILE A 49 1.530 6.833 2.684 1.00 0.00 C ATOM 0 H ILE A 49 -2.735 7.249 2.147 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.473 6.292 4.895 1.00 0.00 H new ATOM 0 HB ILE A 49 0.029 6.363 4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.144 5.886 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.439 7.539 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.227 4.131 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.178 4.239 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.410 4.299 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.925 7.192 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.720 7.575 3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.020 5.896 2.949 1.00 0.00 H new ATOM 800 N THR A 50 -1.494 8.551 5.577 1.00 0.00 N ATOM 801 CA THR A 50 -1.271 9.921 5.994 1.00 0.00 C ATOM 802 C THR A 50 -0.310 9.971 7.174 1.00 0.00 C ATOM 803 O THR A 50 -0.143 8.989 7.899 1.00 0.00 O ATOM 804 CB THR A 50 -2.597 10.592 6.351 1.00 0.00 C ATOM 805 OG1 THR A 50 -3.493 9.659 6.930 1.00 0.00 O ATOM 806 CG2 THR A 50 -3.288 11.210 5.153 1.00 0.00 C ATOM 0 H THR A 50 -1.409 7.863 6.325 1.00 0.00 H new ATOM 0 HA THR A 50 -0.822 10.466 5.164 1.00 0.00 H new ATOM 0 HB THR A 50 -2.344 11.383 7.057 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.434 9.711 7.907 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.224 11.671 5.470 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.642 11.968 4.711 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.497 10.436 4.414 1.00 0.00 H new ATOM 814 N SER A 51 0.329 11.116 7.345 1.00 0.00 N ATOM 815 CA SER A 51 1.292 11.304 8.419 1.00 0.00 C ATOM 816 C SER A 51 1.241 12.732 8.951 1.00 0.00 C ATOM 817 O SER A 51 1.346 13.691 8.186 1.00 0.00 O ATOM 818 CB SER A 51 2.699 10.984 7.910 1.00 0.00 C ATOM 819 OG SER A 51 2.744 9.702 7.307 1.00 0.00 O ATOM 0 H SER A 51 0.198 11.934 6.750 1.00 0.00 H new ATOM 0 HA SER A 51 1.039 10.628 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.009 11.740 7.188 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.407 11.025 8.738 1.00 0.00 H new ATOM 0 HG SER A 51 3.626 9.561 6.904 1.00 0.00 H new ATOM 825 N LYS A 52 1.083 12.871 10.263 1.00 0.00 N ATOM 826 CA LYS A 52 1.021 14.188 10.885 1.00 0.00 C ATOM 827 C LYS A 52 2.279 14.993 10.565 1.00 0.00 C ATOM 828 O LYS A 52 2.201 16.087 10.006 1.00 0.00 O ATOM 829 CB LYS A 52 0.838 14.060 12.401 1.00 0.00 C ATOM 830 CG LYS A 52 -0.412 14.755 12.922 1.00 0.00 C ATOM 831 CD LYS A 52 -1.505 13.756 13.273 1.00 0.00 C ATOM 832 CE LYS A 52 -2.894 14.343 13.055 1.00 0.00 C ATOM 833 NZ LYS A 52 -3.627 13.655 11.954 1.00 0.00 N ATOM 0 H LYS A 52 0.996 12.091 10.914 1.00 0.00 H new ATOM 0 HA LYS A 52 0.160 14.718 10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.794 13.004 12.666 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.712 14.478 12.901 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.160 15.344 13.804 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.783 15.451 12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.389 12.860 12.664 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.398 13.450 14.314 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.469 14.264 13.977 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.806 15.405 12.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.567 14.086 11.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.092 13.752 11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.734 12.647 12.185 1.00 0.00 H new ATOM 847 N GLY A 53 3.436 14.444 10.911 1.00 0.00 N ATOM 848 CA GLY A 53 4.688 15.128 10.639 1.00 0.00 C ATOM 849 C GLY A 53 5.894 14.330 11.094 1.00 0.00 C ATOM 850 O GLY A 53 6.802 14.055 10.310 1.00 0.00 O ATOM 0 H GLY A 53 3.531 13.540 11.374 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.767 15.323 9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.686 16.096 11.140 1.00 0.00 H new ATOM 854 N LYS A 54 5.902 13.967 12.371 1.00 0.00 N ATOM 855 CA LYS A 54 7.000 13.200 12.955 1.00 0.00 C ATOM 856 C LYS A 54 6.673 11.707 12.984 1.00 0.00 C ATOM 857 O LYS A 54 7.544 10.871 13.234 1.00 0.00 O ATOM 858 CB LYS A 54 7.308 13.706 14.371 1.00 0.00 C ATOM 859 CG LYS A 54 6.145 13.579 15.353 1.00 0.00 C ATOM 860 CD LYS A 54 5.123 14.695 15.175 1.00 0.00 C ATOM 861 CE LYS A 54 5.195 15.720 16.291 1.00 0.00 C ATOM 862 NZ LYS A 54 5.058 17.107 15.766 1.00 0.00 N ATOM 0 H LYS A 54 5.155 14.193 13.028 1.00 0.00 H new ATOM 0 HA LYS A 54 7.882 13.341 12.330 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.161 13.153 14.764 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.606 14.753 14.313 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.657 12.615 15.214 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.528 13.598 16.373 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.290 15.190 14.218 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.121 14.266 15.141 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.406 15.525 17.017 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.144 15.621 16.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.111 17.783 16.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.825 17.300 15.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.141 17.207 15.285 1.00 0.00 H new ATOM 876 N ILE A 55 5.410 11.388 12.724 1.00 0.00 N ATOM 877 CA ILE A 55 4.930 10.012 12.711 1.00 0.00 C ATOM 878 C ILE A 55 4.094 9.762 11.450 1.00 0.00 C ATOM 879 O ILE A 55 3.734 10.705 10.753 1.00 0.00 O ATOM 880 CB ILE A 55 4.089 9.734 13.978 1.00 0.00 C ATOM 881 CG1 ILE A 55 3.947 8.231 14.240 1.00 0.00 C ATOM 882 CG2 ILE A 55 2.725 10.390 13.863 1.00 0.00 C ATOM 883 CD1 ILE A 55 5.195 7.597 14.810 1.00 0.00 C ATOM 0 H ILE A 55 4.689 12.079 12.516 1.00 0.00 H new ATOM 0 HA ILE A 55 5.785 9.336 12.704 1.00 0.00 H new ATOM 0 HB ILE A 55 4.614 10.167 14.829 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.119 8.067 14.929 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.689 7.731 13.307 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.145 10.185 14.763 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.848 11.467 13.748 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.201 9.990 12.995 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.022 6.533 14.970 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.022 7.729 14.112 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.443 8.071 15.760 1.00 0.00 H new ATOM 895 N ALA A 56 3.794 8.498 11.158 1.00 0.00 N ATOM 896 CA ALA A 56 3.008 8.154 9.977 1.00 0.00 C ATOM 897 C ALA A 56 2.043 7.011 10.278 1.00 0.00 C ATOM 898 O ALA A 56 2.306 6.176 11.141 1.00 0.00 O ATOM 899 CB ALA A 56 3.926 7.779 8.818 1.00 0.00 C ATOM 0 H ALA A 56 4.083 7.698 11.721 1.00 0.00 H new ATOM 0 HA ALA A 56 2.423 9.029 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.325 7.525 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.574 8.622 8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.536 6.921 9.100 1.00 0.00 H new ATOM 905 N TYR A 57 0.921 6.981 9.568 1.00 0.00 N ATOM 906 CA TYR A 57 -0.074 5.936 9.778 1.00 0.00 C ATOM 907 C TYR A 57 -0.922 5.709 8.529 1.00 0.00 C ATOM 908 O TYR A 57 -1.186 6.637 7.764 1.00 0.00 O ATOM 909 CB TYR A 57 -0.965 6.292 10.970 1.00 0.00 C ATOM 910 CG TYR A 57 -1.878 7.471 10.725 1.00 0.00 C ATOM 911 CD1 TYR A 57 -1.363 8.727 10.423 1.00 0.00 C ATOM 912 CD2 TYR A 57 -3.257 7.328 10.800 1.00 0.00 C ATOM 913 CE1 TYR A 57 -2.199 9.806 10.204 1.00 0.00 C ATOM 914 CE2 TYR A 57 -4.098 8.402 10.581 1.00 0.00 C ATOM 915 CZ TYR A 57 -3.565 9.638 10.284 1.00 0.00 C ATOM 916 OH TYR A 57 -4.400 10.709 10.069 1.00 0.00 O ATOM 0 H TYR A 57 0.679 7.662 8.848 1.00 0.00 H new ATOM 0 HA TYR A 57 0.455 5.007 9.991 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -1.571 5.424 11.229 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -0.333 6.508 11.831 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -0.293 8.862 10.359 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.679 6.362 11.033 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.784 10.776 9.971 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.169 8.274 10.642 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.332 10.421 10.161 1.00 0.00 H new ATOM 926 N ILE A 58 -1.343 4.460 8.335 1.00 0.00 N ATOM 927 CA ILE A 58 -2.158 4.088 7.184 1.00 0.00 C ATOM 928 C ILE A 58 -3.623 3.934 7.579 1.00 0.00 C ATOM 929 O ILE A 58 -3.941 3.342 8.608 1.00 0.00 O ATOM 930 CB ILE A 58 -1.660 2.774 6.541 1.00 0.00 C ATOM 931 CG1 ILE A 58 -2.568 2.362 5.372 1.00 0.00 C ATOM 932 CG2 ILE A 58 -1.565 1.666 7.583 1.00 0.00 C ATOM 933 CD1 ILE A 58 -3.793 1.566 5.773 1.00 0.00 C ATOM 0 H ILE A 58 -1.131 3.686 8.965 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.066 4.892 6.454 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.660 2.944 6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.891 3.261 4.846 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.983 1.773 4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.213 0.750 7.109 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.866 1.962 8.366 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.548 1.493 8.021 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.374 1.320 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.483 0.647 6.270 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.405 2.158 6.454 1.00 0.00 H new ATOM 945 N LYS A 59 -4.506 4.467 6.745 1.00 0.00 N ATOM 946 CA LYS A 59 -5.941 4.393 6.997 1.00 0.00 C ATOM 947 C LYS A 59 -6.651 3.670 5.856 1.00 0.00 C ATOM 948 O LYS A 59 -6.374 3.921 4.682 1.00 0.00 O ATOM 949 CB LYS A 59 -6.519 5.799 7.172 1.00 0.00 C ATOM 950 CG LYS A 59 -8.016 5.813 7.429 1.00 0.00 C ATOM 951 CD LYS A 59 -8.509 7.210 7.767 1.00 0.00 C ATOM 952 CE LYS A 59 -8.577 7.426 9.269 1.00 0.00 C ATOM 953 NZ LYS A 59 -9.679 8.353 9.650 1.00 0.00 N ATOM 0 H LYS A 59 -4.254 4.956 5.886 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.101 3.828 7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.012 6.291 8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.307 6.384 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.541 5.444 6.548 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.252 5.134 8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.844 7.950 7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.496 7.365 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.721 6.467 9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.627 7.828 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.617 8.567 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.595 9.235 9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.595 7.906 9.445 1.00 0.00 H new ATOM 967 N LEU A 60 -7.566 2.771 6.205 1.00 0.00 N ATOM 968 CA LEU A 60 -8.313 2.014 5.206 1.00 0.00 C ATOM 969 C LEU A 60 -9.814 2.112 5.455 1.00 0.00 C ATOM 970 O LEU A 60 -10.264 2.247 6.594 1.00 0.00 O ATOM 971 CB LEU A 60 -7.878 0.543 5.199 1.00 0.00 C ATOM 972 CG LEU A 60 -8.135 -0.217 6.507 1.00 0.00 C ATOM 973 CD1 LEU A 60 -9.105 -1.368 6.287 1.00 0.00 C ATOM 974 CD2 LEU A 60 -6.826 -0.722 7.107 1.00 0.00 C ATOM 0 H LEU A 60 -7.808 2.549 7.171 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.094 2.449 4.231 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.399 0.030 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.813 0.496 4.973 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.589 0.477 7.214 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.270 -1.890 7.230 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.054 -0.979 5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.688 -2.061 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.033 -1.258 8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.337 -1.394 6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.171 0.124 7.316 1.00 0.00 H new ATOM 986 N GLU A 61 -10.579 2.033 4.375 1.00 0.00 N ATOM 987 CA GLU A 61 -12.032 2.100 4.447 1.00 0.00 C ATOM 988 C GLU A 61 -12.636 1.890 3.063 1.00 0.00 C ATOM 989 O GLU A 61 -11.922 1.582 2.110 1.00 0.00 O ATOM 990 CB GLU A 61 -12.483 3.444 5.029 1.00 0.00 C ATOM 991 CG GLU A 61 -12.194 4.633 4.129 1.00 0.00 C ATOM 992 CD GLU A 61 -11.213 5.608 4.748 1.00 0.00 C ATOM 993 OE1 GLU A 61 -10.174 5.152 5.267 1.00 0.00 O ATOM 994 OE2 GLU A 61 -11.484 6.828 4.715 1.00 0.00 O ATOM 0 H GLU A 61 -10.213 1.921 3.430 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.383 1.307 5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.554 3.402 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.988 3.598 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.796 4.276 3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.127 5.152 3.909 1.00 0.00 H new ATOM 1001 N ASP A 62 -13.950 2.043 2.960 1.00 0.00 N ATOM 1002 CA ASP A 62 -14.643 1.863 1.689 1.00 0.00 C ATOM 1003 C ASP A 62 -14.870 3.197 0.985 1.00 0.00 C ATOM 1004 O ASP A 62 -15.410 4.137 1.568 1.00 0.00 O ATOM 1005 CB ASP A 62 -15.977 1.145 1.912 1.00 0.00 C ATOM 1006 CG ASP A 62 -16.748 0.920 0.629 1.00 0.00 C ATOM 1007 OD1 ASP A 62 -16.112 0.836 -0.442 1.00 0.00 O ATOM 1008 OD2 ASP A 62 -17.991 0.827 0.700 1.00 0.00 O ATOM 0 H ASP A 62 -14.558 2.291 3.741 1.00 0.00 H new ATOM 0 HA ASP A 62 -14.012 1.250 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -15.791 0.184 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.588 1.730 2.599 1.00 0.00 H new ATOM 1013 N LYS A 63 -14.458 3.261 -0.276 1.00 0.00 N ATOM 1014 CA LYS A 63 -14.612 4.470 -1.084 1.00 0.00 C ATOM 1015 C LYS A 63 -16.081 4.841 -1.300 1.00 0.00 C ATOM 1016 O LYS A 63 -16.381 5.790 -2.020 1.00 0.00 O ATOM 1017 CB LYS A 63 -13.927 4.291 -2.444 1.00 0.00 C ATOM 1018 CG LYS A 63 -14.580 3.246 -3.340 1.00 0.00 C ATOM 1019 CD LYS A 63 -14.068 1.847 -3.038 1.00 0.00 C ATOM 1020 CE LYS A 63 -14.511 0.852 -4.093 1.00 0.00 C ATOM 1021 NZ LYS A 63 -13.456 -0.155 -4.387 1.00 0.00 N ATOM 0 H LYS A 63 -14.012 2.485 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.139 5.283 -0.533 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.923 5.248 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.886 4.013 -2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.661 3.275 -3.204 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.383 3.488 -4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.979 1.861 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.432 1.529 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.414 0.343 -3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.769 1.385 -5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.452 -0.367 -5.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.528 0.223 -4.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.649 -1.026 -3.853 1.00 0.00 H new ATOM 1035 N VAL A 64 -16.998 4.092 -0.694 1.00 0.00 N ATOM 1036 CA VAL A 64 -18.421 4.361 -0.854 1.00 0.00 C ATOM 1037 C VAL A 64 -18.913 5.420 0.131 1.00 0.00 C ATOM 1038 O VAL A 64 -19.458 6.445 -0.276 1.00 0.00 O ATOM 1039 CB VAL A 64 -19.249 3.072 -0.676 1.00 0.00 C ATOM 1040 CG1 VAL A 64 -20.730 3.337 -0.899 1.00 0.00 C ATOM 1041 CG2 VAL A 64 -18.753 1.988 -1.620 1.00 0.00 C ATOM 0 H VAL A 64 -16.781 3.298 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 64 -18.558 4.742 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 64 -19.120 2.727 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.289 2.411 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -21.079 4.078 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.884 3.713 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -19.348 1.085 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -18.848 2.331 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -17.707 1.770 -1.406 1.00 0.00 H new ATOM 1051 N SER A 65 -18.724 5.170 1.426 1.00 0.00 N ATOM 1052 CA SER A 65 -19.163 6.114 2.449 1.00 0.00 C ATOM 1053 C SER A 65 -18.738 5.666 3.848 1.00 0.00 C ATOM 1054 O SER A 65 -19.578 5.462 4.726 1.00 0.00 O ATOM 1055 CB SER A 65 -20.687 6.281 2.395 1.00 0.00 C ATOM 1056 OG SER A 65 -21.351 5.056 2.666 1.00 0.00 O ATOM 0 H SER A 65 -18.274 4.329 1.788 1.00 0.00 H new ATOM 0 HA SER A 65 -18.685 7.072 2.243 1.00 0.00 H new ATOM 0 HB2 SER A 65 -20.998 7.034 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 65 -20.980 6.646 1.411 1.00 0.00 H new ATOM 0 HG SER A 65 -21.045 4.701 3.527 1.00 0.00 H new ATOM 1062 N GLY A 66 -17.434 5.525 4.056 1.00 0.00 N ATOM 1063 CA GLY A 66 -16.935 5.115 5.358 1.00 0.00 C ATOM 1064 C GLY A 66 -17.392 3.723 5.747 1.00 0.00 C ATOM 1065 O GLY A 66 -18.476 3.549 6.306 1.00 0.00 O ATOM 0 H GLY A 66 -16.715 5.686 3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -15.845 5.147 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.270 5.827 6.112 1.00 0.00 H new ATOM 1069 N GLU A 67 -16.551 2.734 5.466 1.00 0.00 N ATOM 1070 CA GLU A 67 -16.847 1.346 5.804 1.00 0.00 C ATOM 1071 C GLU A 67 -16.593 1.090 7.288 1.00 0.00 C ATOM 1072 O GLU A 67 -16.482 2.025 8.084 1.00 0.00 O ATOM 1073 CB GLU A 67 -15.978 0.400 4.971 1.00 0.00 C ATOM 1074 CG GLU A 67 -16.695 -0.864 4.519 1.00 0.00 C ATOM 1075 CD GLU A 67 -15.753 -2.043 4.375 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -14.523 -1.827 4.416 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -16.243 -3.181 4.219 1.00 0.00 O ATOM 0 H GLU A 67 -15.653 2.869 5.002 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.898 1.160 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.617 0.934 4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.102 0.119 5.555 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.476 -1.112 5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.188 -0.677 3.565 1.00 0.00 H new ATOM 1084 N LEU A 68 -16.491 -0.190 7.643 1.00 0.00 N ATOM 1085 CA LEU A 68 -16.236 -0.604 9.028 1.00 0.00 C ATOM 1086 C LEU A 68 -15.187 0.293 9.697 1.00 0.00 C ATOM 1087 O LEU A 68 -15.211 0.482 10.914 1.00 0.00 O ATOM 1088 CB LEU A 68 -15.765 -2.067 9.074 1.00 0.00 C ATOM 1089 CG LEU A 68 -15.415 -2.595 10.471 1.00 0.00 C ATOM 1090 CD1 LEU A 68 -16.339 -3.742 10.864 1.00 0.00 C ATOM 1091 CD2 LEU A 68 -13.955 -3.034 10.530 1.00 0.00 C ATOM 0 H LEU A 68 -16.581 -0.966 6.987 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.173 -0.507 9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -16.546 -2.697 8.650 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -14.889 -2.171 8.434 1.00 0.00 H new ATOM 0 HG LEU A 68 -15.558 -1.785 11.186 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -16.072 -4.100 11.858 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -17.371 -3.392 10.870 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -16.235 -4.555 10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.727 -3.405 11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.783 -3.826 9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.310 -2.185 10.302 1.00 0.00 H new ATOM 1103 N PHE A 69 -14.271 0.844 8.898 1.00 0.00 N ATOM 1104 CA PHE A 69 -13.219 1.725 9.412 1.00 0.00 C ATOM 1105 C PHE A 69 -12.089 0.921 10.054 1.00 0.00 C ATOM 1106 O PHE A 69 -12.328 0.085 10.926 1.00 0.00 O ATOM 1107 CB PHE A 69 -13.797 2.726 10.419 1.00 0.00 C ATOM 1108 CG PHE A 69 -13.503 4.161 10.076 1.00 0.00 C ATOM 1109 CD1 PHE A 69 -12.202 4.584 9.862 1.00 0.00 C ATOM 1110 CD2 PHE A 69 -14.530 5.087 9.975 1.00 0.00 C ATOM 1111 CE1 PHE A 69 -11.928 5.904 9.556 1.00 0.00 C ATOM 1112 CE2 PHE A 69 -14.263 6.408 9.666 1.00 0.00 C ATOM 1113 CZ PHE A 69 -12.960 6.818 9.458 1.00 0.00 C ATOM 0 H PHE A 69 -14.236 0.695 7.889 1.00 0.00 H new ATOM 0 HA PHE A 69 -12.806 2.277 8.568 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -14.877 2.589 10.477 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -13.395 2.507 11.408 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.391 3.874 9.935 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -15.550 4.773 10.140 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.908 6.221 9.394 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -15.072 7.119 9.587 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.749 7.850 9.219 1.00 0.00 H new ATOM 1123 N ALA A 70 -10.857 1.183 9.616 1.00 0.00 N ATOM 1124 CA ALA A 70 -9.687 0.482 10.145 1.00 0.00 C ATOM 1125 C ALA A 70 -8.389 1.163 9.707 1.00 0.00 C ATOM 1126 O ALA A 70 -8.301 1.700 8.605 1.00 0.00 O ATOM 1127 CB ALA A 70 -9.704 -0.973 9.700 1.00 0.00 C ATOM 0 H ALA A 70 -10.644 1.875 8.897 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.730 0.519 11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.829 -1.486 10.099 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.608 -1.456 10.070 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.687 -1.021 8.611 1.00 0.00 H new ATOM 1133 N GLN A 71 -7.382 1.137 10.579 1.00 0.00 N ATOM 1134 CA GLN A 71 -6.091 1.752 10.280 1.00 0.00 C ATOM 1135 C GLN A 71 -4.955 1.003 10.973 1.00 0.00 C ATOM 1136 O GLN A 71 -5.187 0.064 11.734 1.00 0.00 O ATOM 1137 CB GLN A 71 -6.069 3.221 10.725 1.00 0.00 C ATOM 1138 CG GLN A 71 -7.249 4.043 10.238 1.00 0.00 C ATOM 1139 CD GLN A 71 -8.281 4.269 11.325 1.00 0.00 C ATOM 1140 OE1 GLN A 71 -9.463 3.694 11.149 1.00 0.00 O flip ATOM 1141 NE2 GLN A 71 -8.017 4.953 12.313 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.436 0.697 11.498 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.948 1.700 9.201 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.042 3.257 11.814 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.148 3.682 10.367 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.892 5.006 9.873 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.718 3.537 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.094 5.377 12.408 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.721 5.096 13.037 1.00 0.00 H new ATOM 1150 N ALA A 72 -3.727 1.442 10.713 1.00 0.00 N ATOM 1151 CA ALA A 72 -2.547 0.834 11.317 1.00 0.00 C ATOM 1152 C ALA A 72 -1.440 1.872 11.496 1.00 0.00 C ATOM 1153 O ALA A 72 -0.703 2.169 10.555 1.00 0.00 O ATOM 1154 CB ALA A 72 -2.051 -0.336 10.476 1.00 0.00 C ATOM 0 H ALA A 72 -3.523 2.220 10.085 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.826 0.454 12.300 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.170 -0.774 10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.835 -1.089 10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.792 0.017 9.478 1.00 0.00 H new ATOM 1160 N PRO A 73 -1.310 2.442 12.708 1.00 0.00 N ATOM 1161 CA PRO A 73 -0.286 3.452 12.995 1.00 0.00 C ATOM 1162 C PRO A 73 1.123 2.872 12.945 1.00 0.00 C ATOM 1163 O PRO A 73 1.346 1.726 13.333 1.00 0.00 O ATOM 1164 CB PRO A 73 -0.628 3.921 14.412 1.00 0.00 C ATOM 1165 CG PRO A 73 -1.381 2.789 15.017 1.00 0.00 C ATOM 1166 CD PRO A 73 -2.143 2.149 13.889 1.00 0.00 C ATOM 0 HA PRO A 73 -0.289 4.257 12.260 1.00 0.00 H new ATOM 0 HB2 PRO A 73 0.273 4.146 14.982 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.229 4.830 14.393 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.703 2.075 15.485 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.058 3.142 15.795 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.262 1.076 14.041 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.144 2.570 13.790 1.00 0.00 H new ATOM 1174 N VAL A 74 2.067 3.668 12.451 1.00 0.00 N ATOM 1175 CA VAL A 74 3.456 3.230 12.335 1.00 0.00 C ATOM 1176 C VAL A 74 4.415 4.230 12.989 1.00 0.00 C ATOM 1177 O VAL A 74 4.057 5.384 13.218 1.00 0.00 O ATOM 1178 CB VAL A 74 3.845 3.015 10.851 1.00 0.00 C ATOM 1179 CG1 VAL A 74 2.795 2.167 10.144 1.00 0.00 C ATOM 1180 CG2 VAL A 74 4.027 4.343 10.124 1.00 0.00 C ATOM 0 H VAL A 74 1.896 4.619 12.125 1.00 0.00 H new ATOM 0 HA VAL A 74 3.542 2.280 12.862 1.00 0.00 H new ATOM 0 HB VAL A 74 4.799 2.488 10.831 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.083 2.025 9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.720 1.197 10.635 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.830 2.672 10.188 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.299 4.155 9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.095 4.907 10.158 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.817 4.917 10.608 1.00 0.00 H new ATOM 1190 N GLU A 75 5.631 3.777 13.288 1.00 0.00 N ATOM 1191 CA GLU A 75 6.634 4.634 13.921 1.00 0.00 C ATOM 1192 C GLU A 75 7.171 5.679 12.952 1.00 0.00 C ATOM 1193 O GLU A 75 7.863 6.606 13.363 1.00 0.00 O ATOM 1194 CB GLU A 75 7.803 3.798 14.456 1.00 0.00 C ATOM 1195 CG GLU A 75 8.769 4.583 15.332 1.00 0.00 C ATOM 1196 CD GLU A 75 8.165 4.948 16.673 1.00 0.00 C ATOM 1197 OE1 GLU A 75 7.113 4.374 17.024 1.00 0.00 O ATOM 1198 OE2 GLU A 75 8.743 5.806 17.375 1.00 0.00 O ATOM 0 H GLU A 75 5.946 2.825 13.103 1.00 0.00 H new ATOM 0 HA GLU A 75 6.141 5.145 14.748 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.406 2.960 15.029 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.352 3.376 13.614 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.672 3.994 15.491 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.070 5.493 14.812 1.00 0.00 H new ATOM 1205 N GLN A 76 6.859 5.533 11.665 1.00 0.00 N ATOM 1206 CA GLN A 76 7.335 6.477 10.662 1.00 0.00 C ATOM 1207 C GLN A 76 8.855 6.462 10.612 1.00 0.00 C ATOM 1208 O GLN A 76 9.512 6.544 11.649 1.00 0.00 O ATOM 1209 CB GLN A 76 6.843 7.891 10.968 1.00 0.00 C ATOM 1210 CG GLN A 76 7.032 8.859 9.813 1.00 0.00 C ATOM 1211 CD GLN A 76 7.766 10.118 10.227 1.00 0.00 C ATOM 1212 OE1 GLN A 76 7.207 11.213 10.197 1.00 0.00 O ATOM 1213 NE2 GLN A 76 9.025 9.964 10.619 1.00 0.00 N ATOM 0 H GLN A 76 6.283 4.776 11.297 1.00 0.00 H new ATOM 0 HA GLN A 76 6.938 6.174 9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.786 7.851 11.229 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.373 8.271 11.841 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.586 8.364 9.015 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.058 9.128 9.405 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.447 9.035 10.627 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.571 10.774 10.912 1.00 0.00 H new ATOM 1222 N TYR A 77 9.406 6.332 9.402 1.00 0.00 N ATOM 1223 CA TYR A 77 10.858 6.280 9.193 1.00 0.00 C ATOM 1224 C TYR A 77 11.347 4.859 8.881 1.00 0.00 C ATOM 1225 O TYR A 77 12.133 4.672 7.951 1.00 0.00 O ATOM 1226 CB TYR A 77 11.615 6.822 10.411 1.00 0.00 C ATOM 1227 CG TYR A 77 13.054 7.196 10.132 1.00 0.00 C ATOM 1228 CD1 TYR A 77 13.978 6.241 9.724 1.00 0.00 C ATOM 1229 CD2 TYR A 77 13.487 8.504 10.289 1.00 0.00 C ATOM 1230 CE1 TYR A 77 15.294 6.584 9.482 1.00 0.00 C ATOM 1231 CE2 TYR A 77 14.800 8.856 10.047 1.00 0.00 C ATOM 1232 CZ TYR A 77 15.701 7.892 9.644 1.00 0.00 C ATOM 1233 OH TYR A 77 17.011 8.237 9.408 1.00 0.00 O ATOM 0 H TYR A 77 8.862 6.260 8.542 1.00 0.00 H new ATOM 0 HA TYR A 77 11.066 6.912 8.330 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.090 7.699 10.790 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.593 6.072 11.201 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.662 5.216 9.594 1.00 0.00 H new ATOM 0 HD2 TYR A 77 12.785 9.261 10.606 1.00 0.00 H new ATOM 0 HE1 TYR A 77 16.001 5.831 9.167 1.00 0.00 H new ATOM 0 HE2 TYR A 77 15.120 9.880 10.172 1.00 0.00 H new ATOM 0 HH TYR A 77 17.130 9.197 9.567 1.00 0.00 H new ATOM 1243 N PRO A 78 10.906 3.834 9.641 1.00 0.00 N ATOM 1244 CA PRO A 78 11.334 2.450 9.412 1.00 0.00 C ATOM 1245 C PRO A 78 10.670 1.827 8.195 1.00 0.00 C ATOM 1246 O PRO A 78 9.852 0.919 8.319 1.00 0.00 O ATOM 1247 CB PRO A 78 10.882 1.736 10.681 1.00 0.00 C ATOM 1248 CG PRO A 78 9.677 2.491 11.097 1.00 0.00 C ATOM 1249 CD PRO A 78 9.969 3.923 10.777 1.00 0.00 C ATOM 0 HA PRO A 78 12.404 2.382 9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.652 0.688 10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.654 1.758 11.450 1.00 0.00 H new ATOM 0 HG2 PRO A 78 8.793 2.143 10.564 1.00 0.00 H new ATOM 0 HG3 PRO A 78 9.480 2.359 12.161 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.064 4.468 10.510 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.414 4.442 11.626 1.00 0.00 H new ATOM 1257 N GLY A 79 11.030 2.307 7.018 1.00 0.00 N ATOM 1258 CA GLY A 79 10.457 1.761 5.809 1.00 0.00 C ATOM 1259 C GLY A 79 10.996 0.378 5.513 1.00 0.00 C ATOM 1260 O GLY A 79 12.206 0.185 5.410 1.00 0.00 O ATOM 0 H GLY A 79 11.704 3.060 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.372 1.716 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.674 2.424 4.971 1.00 0.00 H new ATOM 1264 N ILE A 80 10.103 -0.590 5.378 1.00 0.00 N ATOM 1265 CA ILE A 80 10.508 -1.957 5.096 1.00 0.00 C ATOM 1266 C ILE A 80 9.299 -2.860 4.940 1.00 0.00 C ATOM 1267 O ILE A 80 8.155 -2.410 5.010 1.00 0.00 O ATOM 1268 CB ILE A 80 11.435 -2.517 6.211 1.00 0.00 C ATOM 1269 CG1 ILE A 80 12.436 -3.543 5.643 1.00 0.00 C ATOM 1270 CG2 ILE A 80 10.617 -3.142 7.344 1.00 0.00 C ATOM 1271 CD1 ILE A 80 13.078 -3.128 4.333 1.00 0.00 C ATOM 0 H ILE A 80 9.095 -0.454 5.459 1.00 0.00 H new ATOM 0 HA ILE A 80 11.064 -1.940 4.158 1.00 0.00 H new ATOM 0 HB ILE A 80 12.001 -1.679 6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 80 13.220 -3.715 6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.922 -4.493 5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.291 -3.526 8.110 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.964 -2.387 7.780 1.00 0.00 H new ATOM 0 HG23 ILE A 80 10.014 -3.959 6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.768 -3.905 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.305 -2.985 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.624 -2.195 4.475 1.00 0.00 H new ATOM 1283 N ALA A 81 9.561 -4.139 4.735 1.00 0.00 N ATOM 1284 CA ALA A 81 8.507 -5.114 4.577 1.00 0.00 C ATOM 1285 C ALA A 81 7.686 -4.813 3.332 1.00 0.00 C ATOM 1286 O ALA A 81 6.517 -4.429 3.409 1.00 0.00 O ATOM 1287 CB ALA A 81 7.649 -5.149 5.829 1.00 0.00 C ATOM 0 H ALA A 81 10.503 -4.524 4.674 1.00 0.00 H new ATOM 0 HA ALA A 81 8.944 -6.104 4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.855 -5.886 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.266 -5.420 6.686 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.209 -4.166 5.996 1.00 0.00 H new ATOM 1293 N VAL A 82 8.322 -5.005 2.183 1.00 0.00 N ATOM 1294 CA VAL A 82 7.698 -4.785 0.884 1.00 0.00 C ATOM 1295 C VAL A 82 8.305 -5.739 -0.135 1.00 0.00 C ATOM 1296 O VAL A 82 9.528 -5.855 -0.227 1.00 0.00 O ATOM 1297 CB VAL A 82 7.896 -3.348 0.359 1.00 0.00 C ATOM 1298 CG1 VAL A 82 7.010 -3.109 -0.856 1.00 0.00 C ATOM 1299 CG2 VAL A 82 7.627 -2.303 1.435 1.00 0.00 C ATOM 0 H VAL A 82 9.291 -5.319 2.126 1.00 0.00 H new ATOM 0 HA VAL A 82 6.630 -4.957 1.017 1.00 0.00 H new ATOM 0 HB VAL A 82 8.941 -3.243 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.157 -2.092 -1.219 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.272 -3.817 -1.643 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.965 -3.247 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.779 -1.306 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.599 -2.398 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.311 -2.456 2.270 1.00 0.00 H new ATOM 1309 N GLU A 83 7.464 -6.413 -0.900 1.00 0.00 N ATOM 1310 CA GLU A 83 7.950 -7.342 -1.906 1.00 0.00 C ATOM 1311 C GLU A 83 6.983 -7.431 -3.074 1.00 0.00 C ATOM 1312 O GLU A 83 5.837 -6.990 -2.985 1.00 0.00 O ATOM 1313 CB GLU A 83 8.168 -8.728 -1.297 1.00 0.00 C ATOM 1314 CG GLU A 83 9.616 -9.010 -0.936 1.00 0.00 C ATOM 1315 CD GLU A 83 9.973 -10.471 -1.100 1.00 0.00 C ATOM 1316 OE1 GLU A 83 9.687 -11.256 -0.174 1.00 0.00 O ATOM 1317 OE2 GLU A 83 10.536 -10.831 -2.155 1.00 0.00 O ATOM 0 H GLU A 83 6.448 -6.336 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 83 8.904 -6.967 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.553 -8.824 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.824 -9.484 -2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.270 -8.405 -1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.797 -8.707 0.095 1.00 0.00 H new ATOM 1324 N THR A 84 7.456 -8.002 -4.170 1.00 0.00 N ATOM 1325 CA THR A 84 6.638 -8.148 -5.360 1.00 0.00 C ATOM 1326 C THR A 84 6.760 -9.554 -5.930 1.00 0.00 C ATOM 1327 O THR A 84 7.284 -10.463 -5.284 1.00 0.00 O ATOM 1328 CB THR A 84 7.042 -7.114 -6.422 1.00 0.00 C ATOM 1329 OG1 THR A 84 8.257 -7.479 -7.057 1.00 0.00 O ATOM 1330 CG2 THR A 84 7.219 -5.718 -5.865 1.00 0.00 C ATOM 0 H THR A 84 8.403 -8.372 -4.259 1.00 0.00 H new ATOM 0 HA THR A 84 5.599 -7.976 -5.078 1.00 0.00 H new ATOM 0 HB THR A 84 6.216 -7.105 -7.133 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.490 -6.805 -7.729 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.504 -5.039 -6.669 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.282 -5.382 -5.421 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.999 -5.726 -5.103 1.00 0.00 H new ATOM 1338 N VAL A 85 6.266 -9.715 -7.144 1.00 0.00 N ATOM 1339 CA VAL A 85 6.298 -10.994 -7.831 1.00 0.00 C ATOM 1340 C VAL A 85 7.716 -11.362 -8.249 1.00 0.00 C ATOM 1341 O VAL A 85 8.199 -10.928 -9.294 1.00 0.00 O ATOM 1342 CB VAL A 85 5.392 -10.964 -9.075 1.00 0.00 C ATOM 1343 CG1 VAL A 85 3.936 -11.017 -8.664 1.00 0.00 C ATOM 1344 CG2 VAL A 85 5.656 -9.719 -9.915 1.00 0.00 C ATOM 0 H VAL A 85 5.832 -8.964 -7.681 1.00 0.00 H new ATOM 0 HA VAL A 85 5.932 -11.748 -7.134 1.00 0.00 H new ATOM 0 HB VAL A 85 5.622 -11.839 -9.683 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.306 -10.995 -9.553 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.748 -11.936 -8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.704 -10.158 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.003 -9.723 -10.787 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.458 -8.829 -9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.696 -9.714 -10.241 1.00 0.00 H new ATOM 1354 N THR A 86 8.381 -12.173 -7.430 1.00 0.00 N ATOM 1355 CA THR A 86 9.745 -12.602 -7.722 1.00 0.00 C ATOM 1356 C THR A 86 9.817 -13.403 -9.026 1.00 0.00 C ATOM 1357 O THR A 86 10.906 -13.744 -9.489 1.00 0.00 O ATOM 1358 CB THR A 86 10.302 -13.435 -6.564 1.00 0.00 C ATOM 1359 OG1 THR A 86 9.859 -12.921 -5.320 1.00 0.00 O ATOM 1360 CG2 THR A 86 11.814 -13.474 -6.529 1.00 0.00 C ATOM 0 H THR A 86 7.998 -12.545 -6.561 1.00 0.00 H new ATOM 0 HA THR A 86 10.353 -11.705 -7.844 1.00 0.00 H new ATOM 0 HB THR A 86 9.931 -14.446 -6.730 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.223 -13.467 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.143 -14.080 -5.685 1.00 0.00 H new ATOM 0 HG22 THR A 86 12.188 -13.909 -7.456 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.202 -12.461 -6.421 1.00 0.00 H new ATOM 1368 N ASP A 87 8.658 -13.703 -9.616 1.00 0.00 N ATOM 1369 CA ASP A 87 8.607 -14.462 -10.863 1.00 0.00 C ATOM 1370 C ASP A 87 7.411 -14.047 -11.722 1.00 0.00 C ATOM 1371 O ASP A 87 7.004 -14.778 -12.627 1.00 0.00 O ATOM 1372 CB ASP A 87 8.532 -15.957 -10.564 1.00 0.00 C ATOM 1373 CG ASP A 87 7.327 -16.312 -9.717 1.00 0.00 C ATOM 1374 OD1 ASP A 87 7.183 -15.735 -8.620 1.00 0.00 O ATOM 1375 OD2 ASP A 87 6.524 -17.162 -10.155 1.00 0.00 O ATOM 0 H ASP A 87 7.745 -13.432 -9.250 1.00 0.00 H new ATOM 0 HA ASP A 87 9.518 -14.246 -11.422 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.491 -16.512 -11.501 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.441 -16.269 -10.049 1.00 0.00 H new ATOM 1380 N SER A 88 6.858 -12.865 -11.445 1.00 0.00 N ATOM 1381 CA SER A 88 5.717 -12.348 -12.205 1.00 0.00 C ATOM 1382 C SER A 88 4.450 -13.164 -11.949 1.00 0.00 C ATOM 1383 O SER A 88 4.516 -14.363 -11.678 1.00 0.00 O ATOM 1384 CB SER A 88 6.038 -12.340 -13.704 1.00 0.00 C ATOM 1385 OG SER A 88 5.960 -11.030 -14.240 1.00 0.00 O ATOM 0 H SER A 88 7.181 -12.247 -10.700 1.00 0.00 H new ATOM 0 HA SER A 88 5.533 -11.328 -11.868 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.038 -12.743 -13.866 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.342 -12.993 -14.231 1.00 0.00 H new ATOM 0 HG SER A 88 6.171 -11.055 -15.197 1.00 0.00 H new ATOM 1391 N SER A 89 3.297 -12.501 -12.047 1.00 0.00 N ATOM 1392 CA SER A 89 2.008 -13.154 -11.840 1.00 0.00 C ATOM 1393 C SER A 89 0.849 -12.170 -12.052 1.00 0.00 C ATOM 1394 O SER A 89 0.390 -11.985 -13.180 1.00 0.00 O ATOM 1395 CB SER A 89 1.936 -13.774 -10.443 1.00 0.00 C ATOM 1396 OG SER A 89 0.604 -14.110 -10.099 1.00 0.00 O ATOM 0 H SER A 89 3.232 -11.508 -12.270 1.00 0.00 H new ATOM 0 HA SER A 89 1.914 -13.950 -12.578 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.560 -14.667 -10.406 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.338 -13.074 -9.711 1.00 0.00 H new ATOM 0 HG SER A 89 0.341 -13.620 -9.292 1.00 0.00 H new ATOM 1402 N ARG A 90 0.392 -11.529 -10.974 1.00 0.00 N ATOM 1403 CA ARG A 90 -0.703 -10.555 -11.067 1.00 0.00 C ATOM 1404 C ARG A 90 -1.052 -9.944 -9.702 1.00 0.00 C ATOM 1405 O ARG A 90 -2.211 -9.616 -9.447 1.00 0.00 O ATOM 1406 CB ARG A 90 -1.951 -11.208 -11.672 1.00 0.00 C ATOM 1407 CG ARG A 90 -2.495 -12.370 -10.853 1.00 0.00 C ATOM 1408 CD ARG A 90 -2.744 -13.594 -11.720 1.00 0.00 C ATOM 1409 NE ARG A 90 -3.308 -14.702 -10.953 1.00 0.00 N ATOM 1410 CZ ARG A 90 -3.355 -15.958 -11.390 1.00 0.00 C ATOM 1411 NH1 ARG A 90 -2.881 -16.269 -12.591 1.00 0.00 N ATOM 1412 NH2 ARG A 90 -3.879 -16.904 -10.626 1.00 0.00 N ATOM 0 H ARG A 90 0.759 -11.664 -10.032 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.359 -9.750 -11.716 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.730 -10.453 -11.776 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.714 -11.562 -12.675 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -1.789 -12.621 -10.062 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.424 -12.071 -10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.423 -13.332 -12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.807 -13.910 -12.179 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.688 -14.501 -10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.478 -15.543 -13.184 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.920 -17.234 -12.920 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.246 -16.670 -9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.916 -17.867 -10.960 1.00 0.00 H new ATOM 1426 N TYR A 91 -0.060 -9.806 -8.822 1.00 0.00 N ATOM 1427 CA TYR A 91 -0.300 -9.255 -7.489 1.00 0.00 C ATOM 1428 C TYR A 91 1.010 -8.846 -6.813 1.00 0.00 C ATOM 1429 O TYR A 91 2.087 -8.994 -7.387 1.00 0.00 O ATOM 1430 CB TYR A 91 -1.050 -10.292 -6.636 1.00 0.00 C ATOM 1431 CG TYR A 91 -0.159 -11.138 -5.743 1.00 0.00 C ATOM 1432 CD1 TYR A 91 1.014 -11.707 -6.224 1.00 0.00 C ATOM 1433 CD2 TYR A 91 -0.496 -11.362 -4.419 1.00 0.00 C ATOM 1434 CE1 TYR A 91 1.822 -12.474 -5.406 1.00 0.00 C ATOM 1435 CE2 TYR A 91 0.308 -12.129 -3.593 1.00 0.00 C ATOM 1436 CZ TYR A 91 1.465 -12.681 -4.093 1.00 0.00 C ATOM 1437 OH TYR A 91 2.268 -13.444 -3.277 1.00 0.00 O ATOM 0 H TYR A 91 0.909 -10.066 -9.006 1.00 0.00 H new ATOM 0 HA TYR A 91 -0.910 -8.357 -7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -1.778 -9.773 -6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.610 -10.952 -7.299 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.299 -11.547 -7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.403 -10.930 -4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.730 -12.909 -5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.029 -12.293 -2.563 1.00 0.00 H new ATOM 0 HH TYR A 91 1.933 -14.365 -3.257 1.00 0.00 H new ATOM 1447 N PHE A 92 0.911 -8.340 -5.585 1.00 0.00 N ATOM 1448 CA PHE A 92 2.090 -7.923 -4.834 1.00 0.00 C ATOM 1449 C PHE A 92 1.776 -7.825 -3.346 1.00 0.00 C ATOM 1450 O PHE A 92 0.612 -7.809 -2.948 1.00 0.00 O ATOM 1451 CB PHE A 92 2.609 -6.580 -5.346 1.00 0.00 C ATOM 1452 CG PHE A 92 1.526 -5.580 -5.632 1.00 0.00 C ATOM 1453 CD1 PHE A 92 0.925 -4.879 -4.600 1.00 0.00 C ATOM 1454 CD2 PHE A 92 1.113 -5.342 -6.931 1.00 0.00 C ATOM 1455 CE1 PHE A 92 -0.069 -3.956 -4.860 1.00 0.00 C ATOM 1456 CE2 PHE A 92 0.119 -4.421 -7.198 1.00 0.00 C ATOM 1457 CZ PHE A 92 -0.473 -3.727 -6.161 1.00 0.00 C ATOM 0 H PHE A 92 0.028 -8.210 -5.091 1.00 0.00 H new ATOM 0 HA PHE A 92 2.864 -8.677 -4.979 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.292 -6.160 -4.608 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.186 -6.747 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.237 -5.056 -3.581 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.573 -5.882 -7.745 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.530 -3.414 -4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.195 -4.244 -8.216 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.251 -3.006 -6.367 1.00 0.00 H new ATOM 1467 N VAL A 93 2.822 -7.762 -2.528 1.00 0.00 N ATOM 1468 CA VAL A 93 2.657 -7.666 -1.083 1.00 0.00 C ATOM 1469 C VAL A 93 3.268 -6.374 -0.542 1.00 0.00 C ATOM 1470 O VAL A 93 4.352 -5.969 -0.959 1.00 0.00 O ATOM 1471 CB VAL A 93 3.294 -8.873 -0.362 1.00 0.00 C ATOM 1472 CG1 VAL A 93 2.625 -10.167 -0.795 1.00 0.00 C ATOM 1473 CG2 VAL A 93 4.794 -8.932 -0.617 1.00 0.00 C ATOM 0 H VAL A 93 3.792 -7.776 -2.842 1.00 0.00 H new ATOM 0 HA VAL A 93 1.585 -7.663 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 93 3.140 -8.747 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.087 -11.007 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.564 -10.128 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.743 -10.295 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.218 -9.792 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.978 -9.028 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 93 5.262 -8.019 -0.249 1.00 0.00 H new ATOM 1483 N ILE A 94 2.566 -5.734 0.392 1.00 0.00 N ATOM 1484 CA ILE A 94 3.040 -4.491 0.989 1.00 0.00 C ATOM 1485 C ILE A 94 2.834 -4.511 2.499 1.00 0.00 C ATOM 1486 O ILE A 94 1.822 -5.012 2.988 1.00 0.00 O ATOM 1487 CB ILE A 94 2.318 -3.266 0.391 1.00 0.00 C ATOM 1488 CG1 ILE A 94 2.767 -1.968 1.089 1.00 0.00 C ATOM 1489 CG2 ILE A 94 0.810 -3.454 0.482 1.00 0.00 C ATOM 1490 CD1 ILE A 94 2.014 -1.652 2.369 1.00 0.00 C ATOM 0 H ILE A 94 1.667 -6.057 0.750 1.00 0.00 H new ATOM 0 HA ILE A 94 4.104 -4.409 0.767 1.00 0.00 H new ATOM 0 HB ILE A 94 2.588 -3.178 -0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.831 -2.041 1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.646 -1.136 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.309 -2.584 0.057 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.520 -4.346 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.520 -3.566 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.393 -0.723 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.952 -1.544 2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.155 -2.463 3.084 1.00 0.00 H new ATOM 1502 N ARG A 95 3.803 -3.975 3.235 1.00 0.00 N ATOM 1503 CA ARG A 95 3.725 -3.945 4.693 1.00 0.00 C ATOM 1504 C ARG A 95 4.446 -2.713 5.251 1.00 0.00 C ATOM 1505 O ARG A 95 4.986 -1.907 4.495 1.00 0.00 O ATOM 1506 CB ARG A 95 4.328 -5.224 5.295 1.00 0.00 C ATOM 1507 CG ARG A 95 4.250 -6.462 4.399 1.00 0.00 C ATOM 1508 CD ARG A 95 5.616 -7.079 4.147 1.00 0.00 C ATOM 1509 NE ARG A 95 6.141 -7.763 5.322 1.00 0.00 N ATOM 1510 CZ ARG A 95 7.167 -8.604 5.280 1.00 0.00 C ATOM 1511 NH1 ARG A 95 7.754 -8.886 4.121 1.00 0.00 N ATOM 1512 NH2 ARG A 95 7.605 -9.166 6.398 1.00 0.00 N ATOM 0 H ARG A 95 4.649 -3.557 2.848 1.00 0.00 H new ATOM 0 HA ARG A 95 2.673 -3.889 4.972 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.374 -5.035 5.537 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.818 -5.441 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.599 -7.203 4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.795 -6.190 3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.546 -7.785 3.320 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.314 -6.299 3.842 1.00 0.00 H new ATOM 0 HE ARG A 95 5.697 -7.586 6.223 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.416 -8.456 3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.542 -9.533 4.093 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.154 -8.952 7.287 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.393 -9.813 6.369 1.00 0.00 H new ATOM 1526 N ILE A 96 4.445 -2.568 6.580 1.00 0.00 N ATOM 1527 CA ILE A 96 5.098 -1.430 7.235 1.00 0.00 C ATOM 1528 C ILE A 96 5.838 -1.869 8.507 1.00 0.00 C ATOM 1529 O ILE A 96 5.648 -2.988 8.988 1.00 0.00 O ATOM 1530 CB ILE A 96 4.080 -0.320 7.591 1.00 0.00 C ATOM 1531 CG1 ILE A 96 3.183 -0.001 6.391 1.00 0.00 C ATOM 1532 CG2 ILE A 96 4.799 0.940 8.053 1.00 0.00 C ATOM 1533 CD1 ILE A 96 1.813 0.510 6.780 1.00 0.00 C ATOM 0 H ILE A 96 4.000 -3.223 7.222 1.00 0.00 H new ATOM 0 HA ILE A 96 5.820 -1.029 6.524 1.00 0.00 H new ATOM 0 HB ILE A 96 3.455 -0.686 8.406 1.00 0.00 H new ATOM 0 HG12 ILE A 96 3.676 0.744 5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 96 3.068 -0.899 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.066 1.708 8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.398 0.714 8.936 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.449 1.301 7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.232 0.715 5.881 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.300 -0.243 7.379 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.918 1.426 7.361 1.00 0.00 H new ATOM 1545 N GLN A 97 6.686 -0.981 9.042 1.00 0.00 N ATOM 1546 CA GLN A 97 7.461 -1.278 10.253 1.00 0.00 C ATOM 1547 C GLN A 97 7.347 -0.142 11.285 1.00 0.00 C ATOM 1548 O GLN A 97 7.028 0.993 10.937 1.00 0.00 O ATOM 1549 CB GLN A 97 8.926 -1.520 9.863 1.00 0.00 C ATOM 1550 CG GLN A 97 9.846 -1.879 11.019 1.00 0.00 C ATOM 1551 CD GLN A 97 10.076 -3.370 11.144 1.00 0.00 C ATOM 1552 OE1 GLN A 97 9.288 -4.084 11.763 1.00 0.00 O ATOM 1553 NE2 GLN A 97 11.166 -3.848 10.555 1.00 0.00 N ATOM 0 H GLN A 97 6.853 -0.052 8.655 1.00 0.00 H new ATOM 0 HA GLN A 97 7.057 -2.176 10.721 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.963 -2.322 9.126 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.310 -0.623 9.377 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.805 -1.378 10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.418 -1.503 11.948 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.792 -3.219 10.052 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.378 -4.845 10.605 1.00 0.00 H new ATOM 1562 N ASP A 98 7.588 -0.469 12.560 1.00 0.00 N ATOM 1563 CA ASP A 98 7.495 0.505 13.653 1.00 0.00 C ATOM 1564 C ASP A 98 8.757 0.496 14.521 1.00 0.00 C ATOM 1565 O ASP A 98 8.822 -0.199 15.534 1.00 0.00 O ATOM 1566 CB ASP A 98 6.278 0.182 14.519 1.00 0.00 C ATOM 1567 CG ASP A 98 5.792 1.352 15.348 1.00 0.00 C ATOM 1568 OD1 ASP A 98 6.337 1.561 16.451 1.00 0.00 O ATOM 1569 OD2 ASP A 98 4.857 2.047 14.902 1.00 0.00 O ATOM 0 H ASP A 98 7.851 -1.407 12.861 1.00 0.00 H new ATOM 0 HA ASP A 98 7.393 1.498 13.215 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.466 -0.158 13.876 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.526 -0.645 15.184 1.00 0.00 H new ATOM 1574 N GLY A 99 9.745 1.286 14.118 1.00 0.00 N ATOM 1575 CA GLY A 99 10.996 1.389 14.846 1.00 0.00 C ATOM 1576 C GLY A 99 11.641 0.051 15.139 1.00 0.00 C ATOM 1577 O GLY A 99 12.465 -0.053 16.047 1.00 0.00 O ATOM 0 H GLY A 99 9.699 1.869 13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.692 2.000 14.271 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.817 1.910 15.787 1.00 0.00 H new ATOM 1581 N THR A 100 11.249 -0.981 14.394 1.00 0.00 N ATOM 1582 CA THR A 100 11.768 -2.330 14.594 1.00 0.00 C ATOM 1583 C THR A 100 11.067 -2.975 15.780 1.00 0.00 C ATOM 1584 O THR A 100 11.703 -3.419 16.737 1.00 0.00 O ATOM 1585 CB THR A 100 13.293 -2.339 14.790 1.00 0.00 C ATOM 1586 OG1 THR A 100 13.639 -2.099 16.142 1.00 0.00 O ATOM 1587 CG2 THR A 100 14.024 -1.322 13.940 1.00 0.00 C ATOM 0 H THR A 100 10.567 -0.905 13.640 1.00 0.00 H new ATOM 0 HA THR A 100 11.563 -2.909 13.693 1.00 0.00 H new ATOM 0 HB THR A 100 13.604 -3.336 14.477 1.00 0.00 H new ATOM 0 HG1 THR A 100 13.508 -1.150 16.350 1.00 0.00 H new ATOM 0 HG21 THR A 100 15.095 -1.389 14.133 1.00 0.00 H new ATOM 0 HG22 THR A 100 13.832 -1.524 12.886 1.00 0.00 H new ATOM 0 HG23 THR A 100 13.672 -0.321 14.188 1.00 0.00 H new ATOM 1595 N GLY A 101 9.734 -3.015 15.706 1.00 0.00 N ATOM 1596 CA GLY A 101 8.945 -3.589 16.773 1.00 0.00 C ATOM 1597 C GLY A 101 7.491 -3.831 16.382 1.00 0.00 C ATOM 1598 O GLY A 101 6.869 -4.780 16.856 1.00 0.00 O ATOM 0 H GLY A 101 9.192 -2.657 14.920 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.394 -4.534 17.080 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.976 -2.925 17.637 1.00 0.00 H new ATOM 1602 N ARG A 102 6.952 -2.977 15.516 1.00 0.00 N ATOM 1603 CA ARG A 102 5.570 -3.110 15.064 1.00 0.00 C ATOM 1604 C ARG A 102 5.502 -3.058 13.542 1.00 0.00 C ATOM 1605 O ARG A 102 5.692 -2.005 12.940 1.00 0.00 O ATOM 1606 CB ARG A 102 4.699 -2.002 15.668 1.00 0.00 C ATOM 1607 CG ARG A 102 3.453 -2.509 16.372 1.00 0.00 C ATOM 1608 CD ARG A 102 2.239 -2.449 15.460 1.00 0.00 C ATOM 1609 NE ARG A 102 1.784 -3.781 15.076 1.00 0.00 N ATOM 1610 CZ ARG A 102 1.047 -4.564 15.858 1.00 0.00 C ATOM 1611 NH1 ARG A 102 0.661 -4.143 17.057 1.00 0.00 N ATOM 1612 NH2 ARG A 102 0.691 -5.771 15.440 1.00 0.00 N ATOM 0 H ARG A 102 7.452 -2.185 15.113 1.00 0.00 H new ATOM 0 HA ARG A 102 5.190 -4.075 15.400 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.297 -1.430 16.377 1.00 0.00 H new ATOM 0 HB3 ARG A 102 4.402 -1.315 14.875 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.612 -3.536 16.702 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.269 -1.912 17.265 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.431 -1.920 15.965 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.484 -1.877 14.565 1.00 0.00 H new ATOM 0 HE ARG A 102 2.046 -4.132 14.155 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.930 -3.214 17.382 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.096 -4.748 17.652 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.983 -6.098 14.519 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.126 -6.372 16.039 1.00 0.00 H new ATOM 1626 N SER A 103 5.236 -4.200 12.925 1.00 0.00 N ATOM 1627 CA SER A 103 5.152 -4.277 11.471 1.00 0.00 C ATOM 1628 C SER A 103 3.945 -5.102 11.045 1.00 0.00 C ATOM 1629 O SER A 103 3.746 -6.219 11.524 1.00 0.00 O ATOM 1630 CB SER A 103 6.435 -4.885 10.890 1.00 0.00 C ATOM 1631 OG SER A 103 6.959 -5.891 11.740 1.00 0.00 O ATOM 0 H SER A 103 5.075 -5.085 13.406 1.00 0.00 H new ATOM 0 HA SER A 103 5.036 -3.265 11.084 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.227 -5.308 9.907 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.179 -4.102 10.748 1.00 0.00 H new ATOM 0 HG SER A 103 7.865 -5.644 12.020 1.00 0.00 H new ATOM 1637 N ALA A 104 3.141 -4.545 10.149 1.00 0.00 N ATOM 1638 CA ALA A 104 1.944 -5.237 9.664 1.00 0.00 C ATOM 1639 C ALA A 104 2.079 -5.605 8.190 1.00 0.00 C ATOM 1640 O ALA A 104 2.539 -4.795 7.389 1.00 0.00 O ATOM 1641 CB ALA A 104 0.712 -4.371 9.879 1.00 0.00 C ATOM 0 H ALA A 104 3.291 -3.622 9.742 1.00 0.00 H new ATOM 0 HA ALA A 104 1.834 -6.160 10.234 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.170 -4.897 9.514 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.596 -4.161 10.942 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.827 -3.434 9.335 1.00 0.00 H new ATOM 1647 N PHE A 105 1.674 -6.828 7.841 1.00 0.00 N ATOM 1648 CA PHE A 105 1.757 -7.303 6.458 1.00 0.00 C ATOM 1649 C PHE A 105 0.374 -7.410 5.831 1.00 0.00 C ATOM 1650 O PHE A 105 -0.554 -7.950 6.432 1.00 0.00 O ATOM 1651 CB PHE A 105 2.469 -8.667 6.404 1.00 0.00 C ATOM 1652 CG PHE A 105 2.324 -9.399 5.085 1.00 0.00 C ATOM 1653 CD1 PHE A 105 1.127 -10.014 4.740 1.00 0.00 C ATOM 1654 CD2 PHE A 105 3.386 -9.477 4.196 1.00 0.00 C ATOM 1655 CE1 PHE A 105 0.996 -10.685 3.533 1.00 0.00 C ATOM 1656 CE2 PHE A 105 3.257 -10.146 2.991 1.00 0.00 C ATOM 1657 CZ PHE A 105 2.063 -10.749 2.661 1.00 0.00 C ATOM 0 H PHE A 105 1.286 -7.507 8.496 1.00 0.00 H new ATOM 0 HA PHE A 105 2.335 -6.577 5.886 1.00 0.00 H new ATOM 0 HB2 PHE A 105 3.529 -8.518 6.608 1.00 0.00 H new ATOM 0 HB3 PHE A 105 2.077 -9.299 7.201 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.289 -9.969 5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.326 -9.009 4.447 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.059 -11.157 3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.093 -10.195 2.309 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.963 -11.271 1.721 1.00 0.00 H new ATOM 1667 N ILE A 106 0.241 -6.899 4.608 1.00 0.00 N ATOM 1668 CA ILE A 106 -1.023 -6.944 3.902 1.00 0.00 C ATOM 1669 C ILE A 106 -0.789 -7.254 2.422 1.00 0.00 C ATOM 1670 O ILE A 106 0.350 -7.254 1.956 1.00 0.00 O ATOM 1671 CB ILE A 106 -1.801 -5.613 4.081 1.00 0.00 C ATOM 1672 CG1 ILE A 106 -3.229 -5.901 4.548 1.00 0.00 C ATOM 1673 CG2 ILE A 106 -1.811 -4.774 2.806 1.00 0.00 C ATOM 1674 CD1 ILE A 106 -3.368 -5.982 6.055 1.00 0.00 C ATOM 0 H ILE A 106 0.998 -6.450 4.092 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.633 -7.742 4.326 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.284 -5.028 4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.890 -5.120 4.172 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.564 -6.841 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.367 -3.853 2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.787 -4.531 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.286 -5.338 2.003 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.406 -6.188 6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.733 -6.782 6.437 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.065 -5.034 6.500 1.00 0.00 H new ATOM 1686 N GLY A 107 -1.859 -7.527 1.697 1.00 0.00 N ATOM 1687 CA GLY A 107 -1.724 -7.840 0.286 1.00 0.00 C ATOM 1688 C GLY A 107 -2.639 -7.002 -0.577 1.00 0.00 C ATOM 1689 O GLY A 107 -3.791 -6.781 -0.220 1.00 0.00 O ATOM 0 H GLY A 107 -2.815 -7.539 2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.691 -7.680 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.945 -8.896 0.127 1.00 0.00 H new ATOM 1693 N ILE A 108 -2.134 -6.526 -1.713 1.00 0.00 N ATOM 1694 CA ILE A 108 -2.938 -5.702 -2.611 1.00 0.00 C ATOM 1695 C ILE A 108 -2.640 -6.009 -4.082 1.00 0.00 C ATOM 1696 O ILE A 108 -1.524 -6.398 -4.435 1.00 0.00 O ATOM 1697 CB ILE A 108 -2.716 -4.198 -2.341 1.00 0.00 C ATOM 1698 CG1 ILE A 108 -2.641 -3.932 -0.834 1.00 0.00 C ATOM 1699 CG2 ILE A 108 -3.831 -3.376 -2.968 1.00 0.00 C ATOM 1700 CD1 ILE A 108 -2.143 -2.549 -0.483 1.00 0.00 C ATOM 0 H ILE A 108 -1.180 -6.695 -2.031 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.981 -5.948 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.770 -3.901 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.631 -4.073 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.984 -4.672 -0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -3.660 -2.318 -2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -3.846 -3.544 -4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.788 -3.675 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.117 -2.436 0.601 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.140 -2.410 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.812 -1.802 -0.910 1.00 0.00 H new ATOM 1712 N GLY A 109 -3.656 -5.837 -4.933 1.00 0.00 N ATOM 1713 CA GLY A 109 -3.497 -6.102 -6.357 1.00 0.00 C ATOM 1714 C GLY A 109 -4.741 -5.751 -7.162 1.00 0.00 C ATOM 1715 O GLY A 109 -5.625 -5.046 -6.675 1.00 0.00 O ATOM 0 H GLY A 109 -4.586 -5.519 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.650 -5.530 -6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -3.261 -7.156 -6.502 1.00 0.00 H new ATOM 1719 N PHE A 110 -4.808 -6.245 -8.401 1.00 0.00 N ATOM 1720 CA PHE A 110 -5.954 -5.983 -9.275 1.00 0.00 C ATOM 1721 C PHE A 110 -5.984 -6.961 -10.452 1.00 0.00 C ATOM 1722 O PHE A 110 -5.019 -7.687 -10.693 1.00 0.00 O ATOM 1723 CB PHE A 110 -5.908 -4.545 -9.795 1.00 0.00 C ATOM 1724 CG PHE A 110 -7.194 -4.082 -10.427 1.00 0.00 C ATOM 1725 CD1 PHE A 110 -8.383 -4.112 -9.717 1.00 0.00 C ATOM 1726 CD2 PHE A 110 -7.209 -3.611 -11.732 1.00 0.00 C ATOM 1727 CE1 PHE A 110 -9.563 -3.680 -10.296 1.00 0.00 C ATOM 1728 CE2 PHE A 110 -8.385 -3.180 -12.315 1.00 0.00 C ATOM 1729 CZ PHE A 110 -9.564 -3.214 -11.597 1.00 0.00 C ATOM 0 H PHE A 110 -4.084 -6.828 -8.821 1.00 0.00 H new ATOM 0 HA PHE A 110 -6.862 -6.123 -8.688 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.660 -3.878 -8.969 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -5.104 -4.459 -10.526 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.389 -4.477 -8.700 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -6.290 -3.581 -12.299 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -10.483 -3.707 -9.731 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -8.382 -2.817 -13.332 1.00 0.00 H new ATOM 0 HZ PHE A 110 -10.484 -2.877 -12.051 1.00 0.00 H new ATOM 1739 N THR A 111 -7.093 -6.958 -11.186 1.00 0.00 N ATOM 1740 CA THR A 111 -7.254 -7.833 -12.345 1.00 0.00 C ATOM 1741 C THR A 111 -6.259 -7.470 -13.444 1.00 0.00 C ATOM 1742 O THR A 111 -5.276 -8.177 -13.664 1.00 0.00 O ATOM 1743 CB THR A 111 -8.683 -7.746 -12.885 1.00 0.00 C ATOM 1744 OG1 THR A 111 -9.070 -6.396 -13.078 1.00 0.00 O ATOM 1745 CG2 THR A 111 -9.705 -8.396 -11.978 1.00 0.00 C ATOM 0 H THR A 111 -7.896 -6.358 -10.999 1.00 0.00 H new ATOM 0 HA THR A 111 -7.057 -8.856 -12.025 1.00 0.00 H new ATOM 0 HB THR A 111 -8.666 -8.286 -13.832 1.00 0.00 H new ATOM 0 HG1 THR A 111 -9.198 -6.226 -14.035 1.00 0.00 H new ATOM 0 HG21 THR A 111 -10.697 -8.299 -12.419 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.464 -9.452 -11.856 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.691 -7.906 -11.004 1.00 0.00 H new ATOM 1753 N ASP A 112 -6.525 -6.365 -14.137 1.00 0.00 N ATOM 1754 CA ASP A 112 -5.657 -5.910 -15.218 1.00 0.00 C ATOM 1755 C ASP A 112 -4.506 -5.061 -14.684 1.00 0.00 C ATOM 1756 O ASP A 112 -4.409 -4.809 -13.483 1.00 0.00 O ATOM 1757 CB ASP A 112 -6.462 -5.101 -16.239 1.00 0.00 C ATOM 1758 CG ASP A 112 -7.478 -5.948 -16.980 1.00 0.00 C ATOM 1759 OD1 ASP A 112 -7.266 -7.175 -17.083 1.00 0.00 O ATOM 1760 OD2 ASP A 112 -8.485 -5.384 -17.458 1.00 0.00 O ATOM 0 H ASP A 112 -7.335 -5.769 -13.968 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.238 -6.792 -15.702 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -6.976 -4.287 -15.728 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.779 -4.647 -16.957 1.00 0.00 H new ATOM 1765 N ARG A 113 -3.636 -4.623 -15.592 1.00 0.00 N ATOM 1766 CA ARG A 113 -2.487 -3.800 -15.222 1.00 0.00 C ATOM 1767 C ARG A 113 -2.886 -2.337 -15.007 1.00 0.00 C ATOM 1768 O ARG A 113 -2.026 -1.459 -14.937 1.00 0.00 O ATOM 1769 CB ARG A 113 -1.402 -3.892 -16.302 1.00 0.00 C ATOM 1770 CG ARG A 113 -0.306 -4.900 -15.984 1.00 0.00 C ATOM 1771 CD ARG A 113 0.069 -5.726 -17.207 1.00 0.00 C ATOM 1772 NE ARG A 113 1.516 -5.876 -17.346 1.00 0.00 N ATOM 1773 CZ ARG A 113 2.099 -6.857 -18.032 1.00 0.00 C ATOM 1774 NH1 ARG A 113 1.364 -7.770 -18.658 1.00 0.00 N ATOM 1775 NH2 ARG A 113 3.422 -6.928 -18.096 1.00 0.00 N ATOM 0 H ARG A 113 -3.705 -4.825 -16.589 1.00 0.00 H new ATOM 0 HA ARG A 113 -2.095 -4.183 -14.280 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.867 -4.162 -17.250 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.951 -2.909 -16.436 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.575 -4.376 -15.615 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.641 -5.562 -15.186 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.392 -6.711 -17.134 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.334 -5.251 -18.102 1.00 0.00 H new ATOM 0 HE ARG A 113 2.115 -5.188 -16.890 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.346 -7.722 -18.615 1.00 0.00 H new ATOM 0 HH12 ARG A 113 1.818 -8.519 -19.182 1.00 0.00 H new ATOM 0 HH21 ARG A 113 3.994 -6.231 -17.619 1.00 0.00 H new ATOM 0 HH22 ARG A 113 3.868 -7.680 -18.622 1.00 0.00 H new ATOM 1789 N GLY A 114 -4.188 -2.079 -14.902 1.00 0.00 N ATOM 1790 CA GLY A 114 -4.661 -0.721 -14.696 1.00 0.00 C ATOM 1791 C GLY A 114 -4.344 -0.199 -13.309 1.00 0.00 C ATOM 1792 O GLY A 114 -3.538 0.718 -13.154 1.00 0.00 O ATOM 0 H GLY A 114 -4.922 -2.785 -14.956 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -4.208 -0.065 -15.440 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -5.739 -0.687 -14.856 1.00 0.00 H new ATOM 1796 N ASP A 115 -4.978 -0.786 -12.296 1.00 0.00 N ATOM 1797 CA ASP A 115 -4.757 -0.378 -10.915 1.00 0.00 C ATOM 1798 C ASP A 115 -3.274 -0.394 -10.575 1.00 0.00 C ATOM 1799 O ASP A 115 -2.782 0.478 -9.863 1.00 0.00 O ATOM 1800 CB ASP A 115 -5.509 -1.304 -9.964 1.00 0.00 C ATOM 1801 CG ASP A 115 -6.866 -0.756 -9.584 1.00 0.00 C ATOM 1802 OD1 ASP A 115 -6.942 -0.007 -8.593 1.00 0.00 O ATOM 1803 OD2 ASP A 115 -7.852 -1.074 -10.283 1.00 0.00 O ATOM 0 H ASP A 115 -5.649 -1.546 -12.408 1.00 0.00 H new ATOM 0 HA ASP A 115 -5.131 0.639 -10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.632 -2.280 -10.433 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.915 -1.456 -9.063 1.00 0.00 H new ATOM 1808 N ALA A 116 -2.566 -1.392 -11.090 1.00 0.00 N ATOM 1809 CA ALA A 116 -1.136 -1.521 -10.840 1.00 0.00 C ATOM 1810 C ALA A 116 -0.408 -0.221 -11.166 1.00 0.00 C ATOM 1811 O ALA A 116 0.198 0.405 -10.298 1.00 0.00 O ATOM 1812 CB ALA A 116 -0.562 -2.676 -11.650 1.00 0.00 C ATOM 0 H ALA A 116 -2.959 -2.123 -11.683 1.00 0.00 H new ATOM 0 HA ALA A 116 -0.989 -1.732 -9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 116 0.507 -2.762 -11.454 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -1.059 -3.603 -11.364 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -0.723 -2.491 -12.712 1.00 0.00 H new ATOM 1818 N PHE A 117 -0.483 0.189 -12.424 1.00 0.00 N ATOM 1819 CA PHE A 117 0.157 1.420 -12.863 1.00 0.00 C ATOM 1820 C PHE A 117 -0.189 2.577 -11.921 1.00 0.00 C ATOM 1821 O PHE A 117 0.682 3.350 -11.526 1.00 0.00 O ATOM 1822 CB PHE A 117 -0.272 1.749 -14.297 1.00 0.00 C ATOM 1823 CG PHE A 117 0.058 3.150 -14.723 1.00 0.00 C ATOM 1824 CD1 PHE A 117 -0.752 4.206 -14.343 1.00 0.00 C ATOM 1825 CD2 PHE A 117 1.177 3.410 -15.497 1.00 0.00 C ATOM 1826 CE1 PHE A 117 -0.456 5.496 -14.727 1.00 0.00 C ATOM 1827 CE2 PHE A 117 1.480 4.702 -15.886 1.00 0.00 C ATOM 1828 CZ PHE A 117 0.662 5.746 -15.500 1.00 0.00 C ATOM 0 H PHE A 117 -0.981 -0.313 -13.159 1.00 0.00 H new ATOM 0 HA PHE A 117 1.238 1.278 -12.841 1.00 0.00 H new ATOM 0 HB2 PHE A 117 0.209 1.049 -14.980 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.347 1.595 -14.389 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.627 4.017 -13.738 1.00 0.00 H new ATOM 0 HD2 PHE A 117 1.819 2.596 -15.800 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -1.097 6.311 -14.424 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.354 4.894 -16.490 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.896 6.756 -15.802 1.00 0.00 H new ATOM 1838 N ASP A 118 -1.467 2.688 -11.572 1.00 0.00 N ATOM 1839 CA ASP A 118 -1.931 3.748 -10.683 1.00 0.00 C ATOM 1840 C ASP A 118 -1.383 3.574 -9.263 1.00 0.00 C ATOM 1841 O ASP A 118 -0.854 4.518 -8.677 1.00 0.00 O ATOM 1842 CB ASP A 118 -3.462 3.786 -10.659 1.00 0.00 C ATOM 1843 CG ASP A 118 -4.014 5.167 -10.963 1.00 0.00 C ATOM 1844 OD1 ASP A 118 -3.214 6.124 -11.045 1.00 0.00 O ATOM 1845 OD2 ASP A 118 -5.247 5.293 -11.119 1.00 0.00 O ATOM 0 H ASP A 118 -2.201 2.056 -11.892 1.00 0.00 H new ATOM 0 HA ASP A 118 -1.555 4.695 -11.070 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.851 3.074 -11.387 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.815 3.465 -9.679 1.00 0.00 H new ATOM 1850 N PHE A 119 -1.508 2.370 -8.706 1.00 0.00 N ATOM 1851 CA PHE A 119 -1.014 2.107 -7.355 1.00 0.00 C ATOM 1852 C PHE A 119 0.497 2.314 -7.289 1.00 0.00 C ATOM 1853 O PHE A 119 1.026 2.785 -6.282 1.00 0.00 O ATOM 1854 CB PHE A 119 -1.391 0.682 -6.903 1.00 0.00 C ATOM 1855 CG PHE A 119 -0.218 -0.247 -6.704 1.00 0.00 C ATOM 1856 CD1 PHE A 119 0.376 -0.865 -7.788 1.00 0.00 C ATOM 1857 CD2 PHE A 119 0.288 -0.499 -5.437 1.00 0.00 C ATOM 1858 CE1 PHE A 119 1.452 -1.716 -7.621 1.00 0.00 C ATOM 1859 CE2 PHE A 119 1.365 -1.353 -5.263 1.00 0.00 C ATOM 1860 CZ PHE A 119 1.946 -1.961 -6.358 1.00 0.00 C ATOM 0 H PHE A 119 -1.942 1.569 -9.164 1.00 0.00 H new ATOM 0 HA PHE A 119 -1.487 2.814 -6.673 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -1.948 0.747 -5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -2.061 0.246 -7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -0.007 -0.680 -8.781 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.162 -0.025 -4.578 1.00 0.00 H new ATOM 0 HE1 PHE A 119 1.905 -2.189 -8.480 1.00 0.00 H new ATOM 0 HE2 PHE A 119 1.750 -1.543 -4.272 1.00 0.00 H new ATOM 0 HZ PHE A 119 2.786 -2.627 -6.225 1.00 0.00 H new ATOM 1870 N ASN A 120 1.184 1.957 -8.368 1.00 0.00 N ATOM 1871 CA ASN A 120 2.631 2.100 -8.436 1.00 0.00 C ATOM 1872 C ASN A 120 3.045 3.572 -8.462 1.00 0.00 C ATOM 1873 O ASN A 120 3.707 4.052 -7.542 1.00 0.00 O ATOM 1874 CB ASN A 120 3.168 1.383 -9.674 1.00 0.00 C ATOM 1875 CG ASN A 120 4.035 0.191 -9.321 1.00 0.00 C ATOM 1876 OD1 ASN A 120 3.915 -0.876 -9.921 1.00 0.00 O ATOM 1877 ND2 ASN A 120 4.912 0.366 -8.339 1.00 0.00 N ATOM 0 H ASN A 120 0.760 1.566 -9.209 1.00 0.00 H new ATOM 0 HA ASN A 120 3.058 1.647 -7.541 1.00 0.00 H new ATOM 0 HB2 ASN A 120 2.332 1.051 -10.289 1.00 0.00 H new ATOM 0 HB3 ASN A 120 3.747 2.085 -10.274 1.00 0.00 H new ATOM 0 HD21 ASN A 120 5.520 -0.402 -8.055 1.00 0.00 H new ATOM 0 HD22 ASN A 120 4.977 1.269 -7.869 1.00 0.00 H new ATOM 1884 N VAL A 121 2.659 4.281 -9.523 1.00 0.00 N ATOM 1885 CA VAL A 121 3.000 5.698 -9.667 1.00 0.00 C ATOM 1886 C VAL A 121 2.764 6.467 -8.369 1.00 0.00 C ATOM 1887 O VAL A 121 3.553 7.337 -8.002 1.00 0.00 O ATOM 1888 CB VAL A 121 2.196 6.371 -10.800 1.00 0.00 C ATOM 1889 CG1 VAL A 121 2.613 5.828 -12.160 1.00 0.00 C ATOM 1890 CG2 VAL A 121 0.701 6.191 -10.582 1.00 0.00 C ATOM 0 H VAL A 121 2.111 3.899 -10.294 1.00 0.00 H new ATOM 0 HA VAL A 121 4.060 5.731 -9.917 1.00 0.00 H new ATOM 0 HB VAL A 121 2.416 7.438 -10.781 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.032 6.318 -12.941 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.673 6.023 -12.320 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.433 4.754 -12.194 1.00 0.00 H new ATOM 0 HG21 VAL A 121 0.154 6.673 -11.392 1.00 0.00 H new ATOM 0 HG22 VAL A 121 0.461 5.128 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 121 0.415 6.643 -9.632 1.00 0.00 H new ATOM 1900 N SER A 122 1.678 6.141 -7.678 1.00 0.00 N ATOM 1901 CA SER A 122 1.350 6.804 -6.422 1.00 0.00 C ATOM 1902 C SER A 122 2.419 6.531 -5.370 1.00 0.00 C ATOM 1903 O SER A 122 2.835 7.433 -4.643 1.00 0.00 O ATOM 1904 CB SER A 122 -0.013 6.339 -5.909 1.00 0.00 C ATOM 1905 OG SER A 122 -1.066 7.029 -6.561 1.00 0.00 O ATOM 0 H SER A 122 1.012 5.424 -7.965 1.00 0.00 H new ATOM 0 HA SER A 122 1.310 7.877 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.120 5.267 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.076 6.505 -4.834 1.00 0.00 H new ATOM 0 HG SER A 122 -1.882 6.964 -6.023 1.00 0.00 H new ATOM 1911 N LEU A 123 2.866 5.281 -5.296 1.00 0.00 N ATOM 1912 CA LEU A 123 3.892 4.893 -4.334 1.00 0.00 C ATOM 1913 C LEU A 123 5.134 5.763 -4.495 1.00 0.00 C ATOM 1914 O LEU A 123 5.814 6.084 -3.521 1.00 0.00 O ATOM 1915 CB LEU A 123 4.255 3.416 -4.509 1.00 0.00 C ATOM 1916 CG LEU A 123 3.892 2.515 -3.328 1.00 0.00 C ATOM 1917 CD1 LEU A 123 2.389 2.524 -3.093 1.00 0.00 C ATOM 1918 CD2 LEU A 123 4.389 1.098 -3.570 1.00 0.00 C ATOM 0 H LEU A 123 2.535 4.521 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 123 3.494 5.040 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 123 3.756 3.038 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 123 5.328 3.340 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 123 4.380 2.902 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.149 1.877 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.061 3.541 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 123 1.879 2.160 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 123 4.123 0.469 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 123 3.928 0.700 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 123 5.472 1.108 -3.689 1.00 0.00 H new ATOM 1930 N GLN A 124 5.419 6.137 -5.736 1.00 0.00 N ATOM 1931 CA GLN A 124 6.575 6.968 -6.042 1.00 0.00 C ATOM 1932 C GLN A 124 6.307 8.437 -5.709 1.00 0.00 C ATOM 1933 O GLN A 124 7.240 9.215 -5.515 1.00 0.00 O ATOM 1934 CB GLN A 124 6.940 6.825 -7.519 1.00 0.00 C ATOM 1935 CG GLN A 124 8.270 7.463 -7.884 1.00 0.00 C ATOM 1936 CD GLN A 124 9.341 6.439 -8.204 1.00 0.00 C ATOM 1937 OE1 GLN A 124 10.120 6.613 -9.143 1.00 0.00 O ATOM 1938 NE2 GLN A 124 9.385 5.362 -7.428 1.00 0.00 N ATOM 0 H GLN A 124 4.862 5.876 -6.550 1.00 0.00 H new ATOM 0 HA GLN A 124 7.409 6.630 -5.427 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.973 5.766 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.153 7.275 -8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.130 8.118 -8.744 1.00 0.00 H new ATOM 0 HG3 GLN A 124 8.607 8.089 -7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.720 5.258 -6.661 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.083 4.638 -7.599 1.00 0.00 H new ATOM 1947 N ASP A 125 5.030 8.810 -5.649 1.00 0.00 N ATOM 1948 CA ASP A 125 4.649 10.185 -5.343 1.00 0.00 C ATOM 1949 C ASP A 125 5.026 10.560 -3.911 1.00 0.00 C ATOM 1950 O ASP A 125 5.712 11.556 -3.683 1.00 0.00 O ATOM 1951 CB ASP A 125 3.147 10.380 -5.559 1.00 0.00 C ATOM 1952 CG ASP A 125 2.841 11.119 -6.846 1.00 0.00 C ATOM 1953 OD1 ASP A 125 2.850 12.366 -6.831 1.00 0.00 O ATOM 1954 OD2 ASP A 125 2.592 10.447 -7.870 1.00 0.00 O ATOM 0 H ASP A 125 4.244 8.180 -5.808 1.00 0.00 H new ATOM 0 HA ASP A 125 5.196 10.842 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 125 2.656 9.407 -5.576 1.00 0.00 H new ATOM 0 HB3 ASP A 125 2.730 10.933 -4.717 1.00 0.00 H new ATOM 1959 N HIS A 126 4.571 9.764 -2.947 1.00 0.00 N ATOM 1960 CA HIS A 126 4.865 10.029 -1.540 1.00 0.00 C ATOM 1961 C HIS A 126 6.355 9.871 -1.248 1.00 0.00 C ATOM 1962 O HIS A 126 6.968 10.742 -0.630 1.00 0.00 O ATOM 1963 CB HIS A 126 4.051 9.100 -0.637 1.00 0.00 C ATOM 1964 CG HIS A 126 4.423 7.655 -0.765 1.00 0.00 C ATOM 1965 ND1 HIS A 126 5.485 7.089 -0.094 1.00 0.00 N ATOM 1966 CD2 HIS A 126 3.869 6.656 -1.493 1.00 0.00 C ATOM 1967 CE1 HIS A 126 5.571 5.808 -0.404 1.00 0.00 C ATOM 1968 NE2 HIS A 126 4.602 5.520 -1.251 1.00 0.00 N ATOM 0 H HIS A 126 4.001 8.935 -3.112 1.00 0.00 H new ATOM 0 HA HIS A 126 4.584 11.061 -1.330 1.00 0.00 H new ATOM 0 HB2 HIS A 126 4.183 9.409 0.400 1.00 0.00 H new ATOM 0 HB3 HIS A 126 2.993 9.215 -0.872 1.00 0.00 H new ATOM 0 HD1 HIS A 126 6.109 7.583 0.544 1.00 0.00 H new ATOM 0 HD2 HIS A 126 3.010 6.738 -2.143 1.00 0.00 H new ATOM 0 HE1 HIS A 126 6.309 5.115 -0.028 1.00 0.00 H new ATOM 1976 N PHE A 127 6.936 8.759 -1.688 1.00 0.00 N ATOM 1977 CA PHE A 127 8.355 8.507 -1.462 1.00 0.00 C ATOM 1978 C PHE A 127 9.217 9.503 -2.242 1.00 0.00 C ATOM 1979 O PHE A 127 9.727 10.465 -1.671 1.00 0.00 O ATOM 1980 CB PHE A 127 8.713 7.069 -1.844 1.00 0.00 C ATOM 1981 CG PHE A 127 9.692 6.420 -0.901 1.00 0.00 C ATOM 1982 CD1 PHE A 127 11.013 6.835 -0.860 1.00 0.00 C ATOM 1983 CD2 PHE A 127 9.290 5.395 -0.057 1.00 0.00 C ATOM 1984 CE1 PHE A 127 11.915 6.243 0.006 1.00 0.00 C ATOM 1985 CE2 PHE A 127 10.188 4.799 0.810 1.00 0.00 C ATOM 1986 CZ PHE A 127 11.502 5.224 0.842 1.00 0.00 C ATOM 0 H PHE A 127 6.450 8.023 -2.200 1.00 0.00 H new ATOM 0 HA PHE A 127 8.559 8.642 -0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 127 7.801 6.473 -1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 127 9.132 7.063 -2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 127 11.343 7.630 -1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 127 8.264 5.058 -0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 127 12.942 6.577 0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 127 9.862 4.002 1.462 1.00 0.00 H new ATOM 0 HZ PHE A 127 12.205 4.761 1.519 1.00 0.00 H new ATOM 1996 N LYS A 128 9.383 9.272 -3.544 1.00 0.00 N ATOM 1997 CA LYS A 128 10.194 10.161 -4.373 1.00 0.00 C ATOM 1998 C LYS A 128 9.639 11.581 -4.374 1.00 0.00 C ATOM 1999 O LYS A 128 8.471 11.809 -4.689 1.00 0.00 O ATOM 2000 CB LYS A 128 10.282 9.642 -5.806 1.00 0.00 C ATOM 2001 CG LYS A 128 10.842 8.235 -5.912 1.00 0.00 C ATOM 2002 CD LYS A 128 12.263 8.153 -5.376 1.00 0.00 C ATOM 2003 CE LYS A 128 12.646 6.725 -5.025 1.00 0.00 C ATOM 2004 NZ LYS A 128 13.992 6.366 -5.553 1.00 0.00 N ATOM 0 H LYS A 128 8.971 8.484 -4.043 1.00 0.00 H new ATOM 0 HA LYS A 128 11.195 10.181 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 128 9.288 9.662 -6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 128 10.907 10.317 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 128 10.204 7.547 -5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 128 10.827 7.915 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 128 12.957 8.544 -6.120 1.00 0.00 H new ATOM 0 HD3 LYS A 128 12.356 8.783 -4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 128 12.636 6.602 -3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 128 11.902 6.039 -5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 14.217 5.384 -5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 13.995 6.459 -6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 14.706 7.004 -5.147 1.00 0.00 H new ATOM 2018 N TRP A 129 10.497 12.528 -4.017 1.00 0.00 N ATOM 2019 CA TRP A 129 10.123 13.939 -3.964 1.00 0.00 C ATOM 2020 C TRP A 129 10.333 14.627 -5.313 1.00 0.00 C ATOM 2021 O TRP A 129 11.399 14.523 -5.916 1.00 0.00 O ATOM 2022 CB TRP A 129 10.934 14.663 -2.881 1.00 0.00 C ATOM 2023 CG TRP A 129 12.374 14.231 -2.799 1.00 0.00 C ATOM 2024 CD1 TRP A 129 13.181 13.836 -3.833 1.00 0.00 C ATOM 2025 CD2 TRP A 129 13.179 14.150 -1.614 1.00 0.00 C ATOM 2026 NE1 TRP A 129 14.429 13.512 -3.362 1.00 0.00 N ATOM 2027 CE2 TRP A 129 14.455 13.698 -2.007 1.00 0.00 C ATOM 2028 CE3 TRP A 129 12.948 14.415 -0.260 1.00 0.00 C ATOM 2029 CZ2 TRP A 129 15.491 13.506 -1.098 1.00 0.00 C ATOM 2030 CZ3 TRP A 129 13.980 14.224 0.641 1.00 0.00 C ATOM 2031 CH2 TRP A 129 15.237 13.774 0.218 1.00 0.00 C ATOM 0 H TRP A 129 11.466 12.344 -3.757 1.00 0.00 H new ATOM 0 HA TRP A 129 9.062 13.990 -3.719 1.00 0.00 H new ATOM 0 HB2 TRP A 129 10.898 15.736 -3.072 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.460 14.495 -1.914 1.00 0.00 H new ATOM 0 HD1 TRP A 129 12.879 13.787 -4.869 1.00 0.00 H new ATOM 0 HE1 TRP A 129 15.210 13.185 -3.930 1.00 0.00 H new ATOM 0 HE3 TRP A 129 11.982 14.762 0.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 16.461 13.158 -1.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 13.814 14.425 1.689 1.00 0.00 H new ATOM 0 HH2 TRP A 129 16.022 13.636 0.947 1.00 0.00 H new