USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 965 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 123 ASN : amide:sc= -0.456 X(o=-0.26,f=-0.074) USER MOD Set 1.2: A 124 ASN : amide:sc= 0.192 K(o=-0.26,f=-0.82) USER MOD Set 2.1: A 75 SER OG : rot 70:sc= 0.239 USER MOD Set 2.2: A 88 THR OG1 : rot -9:sc= 0.0788 USER MOD Set 3.1: A 48 ASN : amide:sc= 2.02 K(o=1.8,f=-1) USER MOD Set 3.2: A 50 SER OG : rot -64:sc= 1.37 USER MOD Set 3.3: A 111 HIS : no HD1:sc= -1.59 K(o=1.8,f=-1.7) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.4!) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.159 K(o=-0.16,f=-1.4) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc=-0.00227 X(o=-0.0023,f=-0.0056) USER MOD Single : A 59 CYS SG : rot 137:sc= -1.89 USER MOD Single : A 60 GLN : amide:sc= -0.0859 K(o=-0.086,f=-1.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -119:sc= -0.62 USER MOD Single : A 68 GLN : amide:sc=-0.00208 X(o=-0.0021,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 72 GLN : amide:sc= -2.33 K(o=-2.3,f=-5.2!) USER MOD Single : A 77 ASN : amide:sc= -0.0515 X(o=-0.052,f=-0.51) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.873 K(o=-0.87,f=-2.7!) USER MOD Single : A 95 ASN : amide:sc= -4.28! C(o=-4.3!,f=-1.6!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 42:sc= 0.475 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.0145 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc=-0.00424 K(o=-0.0042,f=-0.7) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N ILE A 13 0.339 -14.056 8.022 1.00 0.00 N ATOM 133 CA ILE A 13 1.395 -13.097 7.726 1.00 0.00 C ATOM 134 C ILE A 13 1.226 -11.823 8.547 1.00 0.00 C ATOM 135 O ILE A 13 0.195 -11.151 8.491 1.00 0.00 O ATOM 136 CB ILE A 13 1.421 -12.731 6.231 1.00 0.00 C ATOM 137 CG1 ILE A 13 1.297 -13.992 5.373 1.00 0.00 C ATOM 138 CG2 ILE A 13 2.699 -11.977 5.892 1.00 0.00 C ATOM 139 CD1 ILE A 13 0.698 -13.737 4.007 1.00 0.00 C ATOM 0 HA ILE A 13 2.338 -13.575 7.991 1.00 0.00 H new ATOM 0 HB ILE A 13 0.572 -12.082 6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.285 -14.437 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.682 -14.721 5.900 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.703 -11.725 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.749 -11.062 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.562 -12.603 6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.640 -14.675 3.454 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.303 -13.321 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.325 -13.032 3.461 1.00 0.00 H new ATOM 151 N PRO A 14 2.261 -11.479 9.328 1.00 0.00 N ATOM 152 CA PRO A 14 2.252 -10.282 10.173 1.00 0.00 C ATOM 153 C PRO A 14 2.314 -8.995 9.357 1.00 0.00 C ATOM 154 O PRO A 14 2.403 -9.031 8.130 1.00 0.00 O ATOM 155 CB PRO A 14 3.516 -10.438 11.023 1.00 0.00 C ATOM 156 CG PRO A 14 4.418 -11.297 10.205 1.00 0.00 C ATOM 157 CD PRO A 14 3.520 -12.233 9.444 1.00 0.00 C ATOM 0 HA PRO A 14 1.336 -10.203 10.758 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.973 -9.471 11.234 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.292 -10.901 11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.020 -10.694 9.525 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.111 -11.850 10.839 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.933 -12.479 8.466 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.377 -13.174 9.975 1.00 0.00 H new ATOM 165 N ASP A 15 2.267 -7.861 10.046 1.00 0.00 N ATOM 166 CA ASP A 15 2.320 -6.562 9.385 1.00 0.00 C ATOM 167 C ASP A 15 3.751 -6.210 8.992 1.00 0.00 C ATOM 168 O ASP A 15 4.708 -6.803 9.493 1.00 0.00 O ATOM 169 CB ASP A 15 1.746 -5.477 10.298 1.00 0.00 C ATOM 170 CG ASP A 15 2.401 -5.466 11.665 1.00 0.00 C ATOM 171 OD1 ASP A 15 2.131 -6.391 12.459 1.00 0.00 O ATOM 172 OD2 ASP A 15 3.182 -4.531 11.942 1.00 0.00 O ATOM 0 H ASP A 15 2.192 -7.814 11.062 1.00 0.00 H new ATOM 0 HA ASP A 15 1.717 -6.618 8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.878 -4.503 9.827 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.673 -5.633 10.413 1.00 0.00 H new ATOM 177 N LEU A 16 3.892 -5.242 8.093 1.00 0.00 N ATOM 178 CA LEU A 16 5.207 -4.811 7.632 1.00 0.00 C ATOM 179 C LEU A 16 5.287 -3.289 7.562 1.00 0.00 C ATOM 180 O LEU A 16 4.336 -2.624 7.151 1.00 0.00 O ATOM 181 CB LEU A 16 5.510 -5.413 6.259 1.00 0.00 C ATOM 182 CG LEU A 16 6.990 -5.578 5.911 1.00 0.00 C ATOM 183 CD1 LEU A 16 7.189 -6.757 4.971 1.00 0.00 C ATOM 184 CD2 LEU A 16 7.538 -4.301 5.291 1.00 0.00 C ATOM 0 H LEU A 16 3.112 -4.741 7.669 1.00 0.00 H new ATOM 0 HA LEU A 16 5.950 -5.163 8.348 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.032 -6.391 6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.046 -4.785 5.499 1.00 0.00 H new ATOM 0 HG LEU A 16 7.540 -5.776 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.248 -6.859 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.835 -7.669 5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.627 -6.589 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.592 -4.437 5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.984 -4.072 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.431 -3.478 5.998 1.00 0.00 H new ATOM 196 N LYS A 17 6.430 -2.743 7.964 1.00 0.00 N ATOM 197 CA LYS A 17 6.637 -1.300 7.945 1.00 0.00 C ATOM 198 C LYS A 17 7.242 -0.856 6.617 1.00 0.00 C ATOM 199 O LYS A 17 8.136 -1.510 6.080 1.00 0.00 O ATOM 200 CB LYS A 17 7.550 -0.879 9.099 1.00 0.00 C ATOM 201 CG LYS A 17 8.149 0.506 8.927 1.00 0.00 C ATOM 202 CD LYS A 17 8.915 0.940 10.166 1.00 0.00 C ATOM 203 CE LYS A 17 10.338 0.402 10.158 1.00 0.00 C ATOM 204 NZ LYS A 17 11.280 1.337 9.482 1.00 0.00 N ATOM 0 H LYS A 17 7.227 -3.279 8.307 1.00 0.00 H new ATOM 0 HA LYS A 17 5.667 -0.817 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.982 -0.907 10.029 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.357 -1.605 9.196 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.817 0.510 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.355 1.223 8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.937 2.028 10.219 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.397 0.588 11.058 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.668 0.232 11.183 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.359 -0.563 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.239 0.935 9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.980 1.480 8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.280 2.250 9.980 1.00 0.00 H new ATOM 218 N VAL A 18 6.749 0.262 6.092 1.00 0.00 N ATOM 219 CA VAL A 18 7.243 0.795 4.827 1.00 0.00 C ATOM 220 C VAL A 18 7.649 2.257 4.969 1.00 0.00 C ATOM 221 O VAL A 18 8.635 2.699 4.379 1.00 0.00 O ATOM 222 CB VAL A 18 6.185 0.673 3.715 1.00 0.00 C ATOM 223 CG1 VAL A 18 5.846 -0.788 3.458 1.00 0.00 C ATOM 224 CG2 VAL A 18 4.936 1.463 4.079 1.00 0.00 C ATOM 0 H VAL A 18 6.009 0.816 6.523 1.00 0.00 H new ATOM 0 HA VAL A 18 8.116 0.203 4.553 1.00 0.00 H new ATOM 0 HB VAL A 18 6.598 1.092 2.797 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.097 -0.854 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.745 -1.321 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.453 -1.236 4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.199 1.366 3.282 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.519 1.076 5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.195 2.514 4.207 1.00 0.00 H new ATOM 234 N PHE A 19 6.883 3.005 5.756 1.00 0.00 N ATOM 235 CA PHE A 19 7.162 4.419 5.976 1.00 0.00 C ATOM 236 C PHE A 19 6.938 4.798 7.437 1.00 0.00 C ATOM 237 O PHE A 19 5.958 4.380 8.053 1.00 0.00 O ATOM 238 CB PHE A 19 6.278 5.282 5.072 1.00 0.00 C ATOM 239 CG PHE A 19 6.494 6.757 5.254 1.00 0.00 C ATOM 240 CD1 PHE A 19 7.452 7.427 4.511 1.00 0.00 C ATOM 241 CD2 PHE A 19 5.739 7.474 6.169 1.00 0.00 C ATOM 242 CE1 PHE A 19 7.653 8.785 4.676 1.00 0.00 C ATOM 243 CE2 PHE A 19 5.935 8.831 6.338 1.00 0.00 C ATOM 244 CZ PHE A 19 6.894 9.487 5.591 1.00 0.00 C ATOM 0 H PHE A 19 6.064 2.655 6.252 1.00 0.00 H new ATOM 0 HA PHE A 19 8.208 4.599 5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.471 5.020 4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.232 5.049 5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.049 6.882 3.794 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.989 6.966 6.757 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.403 9.296 4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.339 9.378 7.053 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.050 10.548 5.723 1.00 0.00 H new ATOM 254 N GLU A 20 7.854 5.590 7.984 1.00 0.00 N ATOM 255 CA GLU A 20 7.757 6.024 9.373 1.00 0.00 C ATOM 256 C GLU A 20 8.163 7.488 9.516 1.00 0.00 C ATOM 257 O GLU A 20 9.247 7.886 9.090 1.00 0.00 O ATOM 258 CB GLU A 20 8.639 5.149 10.266 1.00 0.00 C ATOM 259 CG GLU A 20 8.380 5.339 11.751 1.00 0.00 C ATOM 260 CD GLU A 20 8.882 4.177 12.585 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.025 3.729 12.351 1.00 0.00 O ATOM 262 OE2 GLU A 20 8.134 3.714 13.471 1.00 0.00 O ATOM 0 H GLU A 20 8.671 5.944 7.487 1.00 0.00 H new ATOM 0 HA GLU A 20 6.718 5.921 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.477 4.102 10.009 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.686 5.370 10.057 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.863 6.257 12.086 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.310 5.464 11.916 1.00 0.00 H new ATOM 269 N ARG A 21 7.285 8.283 10.118 1.00 0.00 N ATOM 270 CA ARG A 21 7.551 9.703 10.315 1.00 0.00 C ATOM 271 C ARG A 21 7.201 10.129 11.738 1.00 0.00 C ATOM 272 O ARG A 21 6.307 9.560 12.364 1.00 0.00 O ATOM 273 CB ARG A 21 6.753 10.538 9.312 1.00 0.00 C ATOM 274 CG ARG A 21 7.231 11.976 9.199 1.00 0.00 C ATOM 275 CD ARG A 21 8.301 12.125 8.129 1.00 0.00 C ATOM 276 NE ARG A 21 8.358 13.484 7.597 1.00 0.00 N ATOM 277 CZ ARG A 21 7.535 13.942 6.661 1.00 0.00 C ATOM 278 NH1 ARG A 21 6.596 13.153 6.155 1.00 0.00 N ATOM 279 NH2 ARG A 21 7.649 15.191 6.228 1.00 0.00 N ATOM 0 H ARG A 21 6.384 7.968 10.478 1.00 0.00 H new ATOM 0 HA ARG A 21 8.616 9.873 10.153 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.812 10.066 8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.703 10.535 9.604 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.387 12.624 8.963 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.627 12.305 10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.272 11.859 8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.101 11.426 7.317 1.00 0.00 H new ATOM 0 HE ARG A 21 9.069 14.116 7.965 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.505 12.192 6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.965 13.507 5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.370 15.801 6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.016 15.541 5.509 1.00 0.00 H new ATOM 293 N GLU A 22 7.913 11.132 12.242 1.00 0.00 N ATOM 294 CA GLU A 22 7.679 11.632 13.592 1.00 0.00 C ATOM 295 C GLU A 22 6.193 11.585 13.939 1.00 0.00 C ATOM 296 O GLU A 22 5.820 11.382 15.094 1.00 0.00 O ATOM 297 CB GLU A 22 8.200 13.063 13.727 1.00 0.00 C ATOM 298 CG GLU A 22 8.151 13.854 12.431 1.00 0.00 C ATOM 299 CD GLU A 22 9.407 13.688 11.598 1.00 0.00 C ATOM 300 OE1 GLU A 22 10.260 12.855 11.969 1.00 0.00 O ATOM 301 OE2 GLU A 22 9.537 14.393 10.575 1.00 0.00 O ATOM 0 H GLU A 22 8.656 11.614 11.736 1.00 0.00 H new ATOM 0 HA GLU A 22 8.218 10.990 14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.613 13.584 14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.229 13.034 14.086 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.288 13.535 11.847 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.008 14.910 12.660 1.00 0.00 H new ATOM 308 N GLY A 23 5.349 11.775 12.929 1.00 0.00 N ATOM 309 CA GLY A 23 3.915 11.752 13.147 1.00 0.00 C ATOM 310 C GLY A 23 3.193 10.857 12.159 1.00 0.00 C ATOM 311 O GLY A 23 2.237 10.169 12.517 1.00 0.00 O ATOM 0 H GLY A 23 5.633 11.944 11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.710 11.408 14.161 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.522 12.766 13.069 1.00 0.00 H new ATOM 315 N VAL A 24 3.649 10.868 10.910 1.00 0.00 N ATOM 316 CA VAL A 24 3.040 10.052 9.867 1.00 0.00 C ATOM 317 C VAL A 24 3.634 8.648 9.850 1.00 0.00 C ATOM 318 O VAL A 24 4.850 8.480 9.771 1.00 0.00 O ATOM 319 CB VAL A 24 3.220 10.691 8.477 1.00 0.00 C ATOM 320 CG1 VAL A 24 2.486 9.883 7.418 1.00 0.00 C ATOM 321 CG2 VAL A 24 2.739 12.134 8.488 1.00 0.00 C ATOM 0 H VAL A 24 4.438 11.433 10.596 1.00 0.00 H new ATOM 0 HA VAL A 24 1.976 9.990 10.095 1.00 0.00 H new ATOM 0 HB VAL A 24 4.282 10.688 8.230 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.625 10.350 6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.883 8.868 7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.423 9.851 7.657 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.874 12.570 7.498 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.683 12.164 8.757 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.315 12.704 9.217 1.00 0.00 H new ATOM 331 N GLN A 25 2.767 7.644 9.923 1.00 0.00 N ATOM 332 CA GLN A 25 3.207 6.253 9.916 1.00 0.00 C ATOM 333 C GLN A 25 2.381 5.426 8.937 1.00 0.00 C ATOM 334 O GLN A 25 1.151 5.499 8.929 1.00 0.00 O ATOM 335 CB GLN A 25 3.103 5.657 11.321 1.00 0.00 C ATOM 336 CG GLN A 25 4.320 5.930 12.190 1.00 0.00 C ATOM 337 CD GLN A 25 3.994 5.924 13.670 1.00 0.00 C ATOM 338 OE1 GLN A 25 2.904 6.326 14.079 1.00 0.00 O ATOM 339 NE2 GLN A 25 4.939 5.466 14.483 1.00 0.00 N ATOM 0 H GLN A 25 1.756 7.767 9.988 1.00 0.00 H new ATOM 0 HA GLN A 25 4.248 6.229 9.595 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.218 6.060 11.813 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.959 4.580 11.240 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.083 5.178 11.987 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.745 6.896 11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.828 5.143 14.101 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.776 5.437 15.489 1.00 0.00 H new ATOM 348 N LEU A 26 3.064 4.639 8.113 1.00 0.00 N ATOM 349 CA LEU A 26 2.393 3.797 7.128 1.00 0.00 C ATOM 350 C LEU A 26 2.669 2.321 7.396 1.00 0.00 C ATOM 351 O LEU A 26 3.820 1.886 7.405 1.00 0.00 O ATOM 352 CB LEU A 26 2.852 4.165 5.716 1.00 0.00 C ATOM 353 CG LEU A 26 1.884 3.818 4.584 1.00 0.00 C ATOM 354 CD1 LEU A 26 0.676 4.742 4.613 1.00 0.00 C ATOM 355 CD2 LEU A 26 2.588 3.899 3.238 1.00 0.00 C ATOM 0 H LEU A 26 4.081 4.566 8.107 1.00 0.00 H new ATOM 0 HA LEU A 26 1.320 3.968 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.045 5.237 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.801 3.665 5.522 1.00 0.00 H new ATOM 0 HG LEU A 26 1.536 2.795 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.002 4.480 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.158 4.634 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.005 5.774 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.885 3.649 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.964 4.910 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.420 3.196 3.220 1.00 0.00 H new ATOM 367 N ASN A 27 1.604 1.555 7.612 1.00 0.00 N ATOM 368 CA ASN A 27 1.732 0.127 7.878 1.00 0.00 C ATOM 369 C ASN A 27 1.257 -0.694 6.683 1.00 0.00 C ATOM 370 O ASN A 27 0.365 -0.276 5.944 1.00 0.00 O ATOM 371 CB ASN A 27 0.929 -0.255 9.124 1.00 0.00 C ATOM 372 CG ASN A 27 1.565 0.259 10.401 1.00 0.00 C ATOM 373 OD1 ASN A 27 2.614 -0.227 10.825 1.00 0.00 O ATOM 374 ND2 ASN A 27 0.931 1.247 11.021 1.00 0.00 N ATOM 0 H ASN A 27 0.644 1.899 7.608 1.00 0.00 H new ATOM 0 HA ASN A 27 2.786 -0.092 8.051 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.082 0.144 9.038 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.840 -1.340 9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.311 1.634 11.885 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.064 1.619 10.633 1.00 0.00 H new ATOM 381 N LEU A 28 1.860 -1.864 6.499 1.00 0.00 N ATOM 382 CA LEU A 28 1.499 -2.745 5.394 1.00 0.00 C ATOM 383 C LEU A 28 0.941 -4.067 5.911 1.00 0.00 C ATOM 384 O LEU A 28 1.401 -4.592 6.925 1.00 0.00 O ATOM 385 CB LEU A 28 2.716 -3.004 4.504 1.00 0.00 C ATOM 386 CG LEU A 28 2.422 -3.278 3.029 1.00 0.00 C ATOM 387 CD1 LEU A 28 3.601 -2.859 2.164 1.00 0.00 C ATOM 388 CD2 LEU A 28 2.096 -4.748 2.813 1.00 0.00 C ATOM 0 H LEU A 28 2.601 -2.224 7.101 1.00 0.00 H new ATOM 0 HA LEU A 28 0.725 -2.251 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.378 -2.140 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.263 -3.855 4.909 1.00 0.00 H new ATOM 0 HG LEU A 28 1.554 -2.688 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.374 -3.061 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.788 -1.793 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.487 -3.422 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.890 -4.924 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.944 -5.358 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.220 -5.017 3.404 1.00 0.00 H new ATOM 400 N SER A 29 -0.050 -4.602 5.206 1.00 0.00 N ATOM 401 CA SER A 29 -0.672 -5.862 5.594 1.00 0.00 C ATOM 402 C SER A 29 -0.902 -6.753 4.377 1.00 0.00 C ATOM 403 O SER A 29 -1.191 -6.266 3.283 1.00 0.00 O ATOM 404 CB SER A 29 -1.999 -5.602 6.309 1.00 0.00 C ATOM 405 OG SER A 29 -1.790 -5.284 7.674 1.00 0.00 O ATOM 0 H SER A 29 -0.440 -4.182 4.362 1.00 0.00 H new ATOM 0 HA SER A 29 0.005 -6.377 6.276 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.526 -4.783 5.818 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.636 -6.483 6.231 1.00 0.00 H new ATOM 0 HG SER A 29 -2.653 -5.121 8.108 1.00 0.00 H new ATOM 411 N PHE A 30 -0.773 -8.060 4.574 1.00 0.00 N ATOM 412 CA PHE A 30 -0.966 -9.020 3.493 1.00 0.00 C ATOM 413 C PHE A 30 -2.168 -9.917 3.771 1.00 0.00 C ATOM 414 O PHE A 30 -2.366 -10.377 4.896 1.00 0.00 O ATOM 415 CB PHE A 30 0.291 -9.873 3.310 1.00 0.00 C ATOM 416 CG PHE A 30 1.532 -9.067 3.059 1.00 0.00 C ATOM 417 CD1 PHE A 30 1.863 -8.661 1.776 1.00 0.00 C ATOM 418 CD2 PHE A 30 2.369 -8.713 4.105 1.00 0.00 C ATOM 419 CE1 PHE A 30 3.005 -7.919 1.541 1.00 0.00 C ATOM 420 CE2 PHE A 30 3.512 -7.971 3.877 1.00 0.00 C ATOM 421 CZ PHE A 30 3.830 -7.573 2.593 1.00 0.00 C ATOM 0 H PHE A 30 -0.535 -8.480 5.473 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.155 -8.463 2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.438 -10.484 4.201 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.137 -10.558 2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.221 -8.928 0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.125 -9.021 5.111 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.252 -7.610 0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.156 -7.703 4.701 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.722 -6.992 2.412 1.00 0.00 H new ATOM 431 N ILE A 31 -2.968 -10.161 2.739 1.00 0.00 N ATOM 432 CA ILE A 31 -4.150 -11.003 2.871 1.00 0.00 C ATOM 433 C ILE A 31 -4.140 -12.130 1.843 1.00 0.00 C ATOM 434 O ILE A 31 -4.051 -11.885 0.640 1.00 0.00 O ATOM 435 CB ILE A 31 -5.445 -10.185 2.707 1.00 0.00 C ATOM 436 CG1 ILE A 31 -5.712 -9.356 3.965 1.00 0.00 C ATOM 437 CG2 ILE A 31 -6.620 -11.107 2.414 1.00 0.00 C ATOM 438 CD1 ILE A 31 -4.863 -8.108 4.058 1.00 0.00 C ATOM 0 H ILE A 31 -2.819 -9.787 1.802 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.124 -11.429 3.874 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.324 -9.504 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.764 -9.072 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.531 -9.975 4.844 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.528 -10.515 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.429 -11.658 1.493 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.746 -11.809 3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.106 -7.570 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.809 -8.385 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.061 -7.468 3.198 1.00 0.00 H new ATOM 450 N ARG A 32 -4.234 -13.364 2.325 1.00 0.00 N ATOM 451 CA ARG A 32 -4.237 -14.529 1.448 1.00 0.00 C ATOM 452 C ARG A 32 -5.574 -15.261 1.521 1.00 0.00 C ATOM 453 O ARG A 32 -5.798 -16.112 2.382 1.00 0.00 O ATOM 454 CB ARG A 32 -3.101 -15.481 1.827 1.00 0.00 C ATOM 455 CG ARG A 32 -1.773 -15.134 1.174 1.00 0.00 C ATOM 456 CD ARG A 32 -1.786 -15.441 -0.315 1.00 0.00 C ATOM 457 NE ARG A 32 -1.435 -16.832 -0.589 1.00 0.00 N ATOM 458 CZ ARG A 32 -2.325 -17.816 -0.656 1.00 0.00 C ATOM 459 NH1 ARG A 32 -3.613 -17.562 -0.470 1.00 0.00 N ATOM 460 NH2 ARG A 32 -1.928 -19.056 -0.911 1.00 0.00 N ATOM 0 H ARG A 32 -4.309 -13.584 3.318 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.087 -14.183 0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.977 -15.473 2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.380 -16.496 1.546 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.557 -14.077 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.972 -15.696 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.776 -15.230 -0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.085 -14.782 -0.827 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.452 -17.061 -0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.922 -16.610 -0.275 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.295 -18.319 -0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.938 -19.255 -1.056 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.613 -19.810 -0.962 1.00 0.00 H new ATOM 474 N PRO A 33 -6.485 -14.923 0.596 1.00 0.00 N ATOM 475 CA PRO A 33 -7.815 -15.536 0.534 1.00 0.00 C ATOM 476 C PRO A 33 -7.761 -16.994 0.090 1.00 0.00 C ATOM 477 O PRO A 33 -6.926 -17.390 -0.723 1.00 0.00 O ATOM 478 CB PRO A 33 -8.548 -14.687 -0.507 1.00 0.00 C ATOM 479 CG PRO A 33 -7.469 -14.124 -1.366 1.00 0.00 C ATOM 480 CD PRO A 33 -6.286 -13.917 -0.461 1.00 0.00 C ATOM 0 HA PRO A 33 -8.302 -15.554 1.509 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.244 -15.290 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.130 -13.896 -0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.223 -14.805 -2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -7.782 -13.184 -1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.345 -14.070 -0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.263 -12.906 -0.054 1.00 0.00 H new ATOM 488 N PRO A 34 -8.673 -17.813 0.634 1.00 0.00 N ATOM 489 CA PRO A 34 -8.750 -19.240 0.308 1.00 0.00 C ATOM 490 C PRO A 34 -9.238 -19.484 -1.116 1.00 0.00 C ATOM 491 O PRO A 34 -8.704 -20.334 -1.828 1.00 0.00 O ATOM 492 CB PRO A 34 -9.763 -19.781 1.320 1.00 0.00 C ATOM 493 CG PRO A 34 -10.607 -18.606 1.677 1.00 0.00 C ATOM 494 CD PRO A 34 -9.699 -17.409 1.610 1.00 0.00 C ATOM 0 HA PRO A 34 -7.774 -19.723 0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.363 -20.583 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.265 -20.192 2.198 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.443 -18.501 0.985 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -11.031 -18.719 2.675 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.234 -16.517 1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.261 -17.182 2.582 1.00 0.00 H new ATOM 502 N GLU A 35 -10.255 -18.731 -1.525 1.00 0.00 N ATOM 503 CA GLU A 35 -10.814 -18.867 -2.865 1.00 0.00 C ATOM 504 C GLU A 35 -9.743 -18.638 -3.928 1.00 0.00 C ATOM 505 O GLU A 35 -9.666 -19.369 -4.914 1.00 0.00 O ATOM 506 CB GLU A 35 -11.965 -17.878 -3.064 1.00 0.00 C ATOM 507 CG GLU A 35 -11.630 -16.460 -2.632 1.00 0.00 C ATOM 508 CD GLU A 35 -12.765 -15.488 -2.893 1.00 0.00 C ATOM 509 OE1 GLU A 35 -13.646 -15.810 -3.717 1.00 0.00 O ATOM 510 OE2 GLU A 35 -12.771 -14.404 -2.272 1.00 0.00 O ATOM 0 H GLU A 35 -10.708 -18.022 -0.948 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.194 -19.883 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.249 -17.871 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.832 -18.225 -2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.389 -16.455 -1.569 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.739 -16.123 -3.162 1.00 0.00 H new ATOM 517 N ASN A 36 -8.919 -17.617 -3.718 1.00 0.00 N ATOM 518 CA ASN A 36 -7.852 -17.290 -4.657 1.00 0.00 C ATOM 519 C ASN A 36 -6.489 -17.345 -3.974 1.00 0.00 C ATOM 520 O ASN A 36 -6.022 -16.368 -3.388 1.00 0.00 O ATOM 521 CB ASN A 36 -8.080 -15.901 -5.256 1.00 0.00 C ATOM 522 CG ASN A 36 -9.014 -15.932 -6.451 1.00 0.00 C ATOM 523 OD1 ASN A 36 -9.698 -16.926 -6.692 1.00 0.00 O ATOM 524 ND2 ASN A 36 -9.046 -14.839 -7.205 1.00 0.00 N ATOM 0 H ASN A 36 -8.969 -17.002 -2.906 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.867 -18.030 -5.457 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.494 -15.243 -4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.122 -15.477 -5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.655 -14.801 -8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.461 -14.038 -6.967 1.00 0.00 H new ATOM 531 N PRO A 37 -5.835 -18.513 -4.050 1.00 0.00 N ATOM 532 CA PRO A 37 -4.516 -18.723 -3.446 1.00 0.00 C ATOM 533 C PRO A 37 -3.418 -17.949 -4.168 1.00 0.00 C ATOM 534 O PRO A 37 -2.386 -17.627 -3.581 1.00 0.00 O ATOM 535 CB PRO A 37 -4.294 -20.230 -3.594 1.00 0.00 C ATOM 536 CG PRO A 37 -5.132 -20.624 -4.762 1.00 0.00 C ATOM 537 CD PRO A 37 -6.333 -19.719 -4.733 1.00 0.00 C ATOM 0 HA PRO A 37 -4.479 -18.372 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.243 -20.460 -3.766 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.594 -20.765 -2.693 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.580 -20.510 -5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.430 -21.670 -4.694 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.690 -19.493 -5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.165 -20.172 -4.193 1.00 0.00 H new ATOM 545 N ALA A 38 -3.649 -17.654 -5.443 1.00 0.00 N ATOM 546 CA ALA A 38 -2.680 -16.916 -6.243 1.00 0.00 C ATOM 547 C ALA A 38 -2.930 -15.414 -6.160 1.00 0.00 C ATOM 548 O ALA A 38 -2.186 -14.617 -6.734 1.00 0.00 O ATOM 549 CB ALA A 38 -2.727 -17.382 -7.691 1.00 0.00 C ATOM 0 H ALA A 38 -4.499 -17.915 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.687 -17.115 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.998 -16.822 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.492 -18.445 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.725 -17.213 -8.096 1.00 0.00 H new ATOM 555 N LEU A 39 -3.982 -15.033 -5.444 1.00 0.00 N ATOM 556 CA LEU A 39 -4.331 -13.625 -5.286 1.00 0.00 C ATOM 557 C LEU A 39 -3.773 -13.069 -3.981 1.00 0.00 C ATOM 558 O LEU A 39 -3.785 -13.743 -2.950 1.00 0.00 O ATOM 559 CB LEU A 39 -5.850 -13.449 -5.321 1.00 0.00 C ATOM 560 CG LEU A 39 -6.362 -12.012 -5.210 1.00 0.00 C ATOM 561 CD1 LEU A 39 -6.119 -11.257 -6.507 1.00 0.00 C ATOM 562 CD2 LEU A 39 -7.841 -11.999 -4.853 1.00 0.00 C ATOM 0 H LEU A 39 -4.608 -15.679 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.888 -13.071 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.224 -13.876 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.282 -14.031 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.812 -11.511 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.490 -10.237 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.050 -11.236 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.642 -11.756 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.188 -10.968 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.407 -12.517 -5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.989 -12.502 -3.897 1.00 0.00 H new ATOM 574 N LEU A 40 -3.286 -11.834 -4.030 1.00 0.00 N ATOM 575 CA LEU A 40 -2.725 -11.184 -2.850 1.00 0.00 C ATOM 576 C LEU A 40 -3.340 -9.804 -2.645 1.00 0.00 C ATOM 577 O LEU A 40 -3.003 -8.851 -3.349 1.00 0.00 O ATOM 578 CB LEU A 40 -1.206 -11.064 -2.984 1.00 0.00 C ATOM 579 CG LEU A 40 -0.463 -10.539 -1.755 1.00 0.00 C ATOM 580 CD1 LEU A 40 -0.456 -11.583 -0.649 1.00 0.00 C ATOM 581 CD2 LEU A 40 0.958 -10.138 -2.121 1.00 0.00 C ATOM 0 H LEU A 40 -3.268 -11.262 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.959 -11.798 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.805 -12.046 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.986 -10.406 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.985 -9.655 -1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.077 -11.192 0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.482 -11.821 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.042 -12.486 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.471 -9.767 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.491 -11.004 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.931 -9.355 -2.879 1.00 0.00 H new ATOM 593 N LEU A 41 -4.240 -9.702 -1.674 1.00 0.00 N ATOM 594 CA LEU A 41 -4.901 -8.437 -1.373 1.00 0.00 C ATOM 595 C LEU A 41 -4.099 -7.632 -0.354 1.00 0.00 C ATOM 596 O LEU A 41 -4.070 -7.967 0.830 1.00 0.00 O ATOM 597 CB LEU A 41 -6.313 -8.690 -0.842 1.00 0.00 C ATOM 598 CG LEU A 41 -7.217 -9.553 -1.723 1.00 0.00 C ATOM 599 CD1 LEU A 41 -8.373 -10.117 -0.912 1.00 0.00 C ATOM 600 CD2 LEU A 41 -7.736 -8.747 -2.905 1.00 0.00 C ATOM 0 H LEU A 41 -4.529 -10.480 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.964 -7.860 -2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.232 -9.165 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.800 -7.727 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.629 -10.387 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.005 -10.728 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.983 -10.730 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.961 -9.298 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.378 -9.377 -3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -8.308 -7.893 -2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.895 -8.393 -3.501 1.00 0.00 H new ATOM 612 N ILE A 42 -3.453 -6.571 -0.824 1.00 0.00 N ATOM 613 CA ILE A 42 -2.654 -5.717 0.047 1.00 0.00 C ATOM 614 C ILE A 42 -3.463 -4.520 0.536 1.00 0.00 C ATOM 615 O ILE A 42 -4.289 -3.974 -0.196 1.00 0.00 O ATOM 616 CB ILE A 42 -1.389 -5.210 -0.669 1.00 0.00 C ATOM 617 CG1 ILE A 42 -0.376 -6.346 -0.828 1.00 0.00 C ATOM 618 CG2 ILE A 42 -0.775 -4.049 0.099 1.00 0.00 C ATOM 619 CD1 ILE A 42 0.634 -6.105 -1.928 1.00 0.00 C ATOM 0 H ILE A 42 -3.467 -6.282 -1.802 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.358 -6.326 0.901 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.668 -4.856 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.152 -6.486 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.911 -7.273 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.118 -3.702 -0.420 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.496 -3.234 0.165 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.507 -4.378 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.320 -6.950 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.115 -5.995 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.195 -5.196 -1.714 1.00 0.00 H new ATOM 631 N THR A 43 -3.218 -4.114 1.778 1.00 0.00 N ATOM 632 CA THR A 43 -3.922 -2.981 2.365 1.00 0.00 C ATOM 633 C THR A 43 -2.943 -1.969 2.949 1.00 0.00 C ATOM 634 O THR A 43 -1.833 -2.322 3.346 1.00 0.00 O ATOM 635 CB THR A 43 -4.894 -3.435 3.470 1.00 0.00 C ATOM 636 OG1 THR A 43 -5.739 -4.481 2.979 1.00 0.00 O ATOM 637 CG2 THR A 43 -5.746 -2.271 3.953 1.00 0.00 C ATOM 0 H THR A 43 -2.537 -4.554 2.397 1.00 0.00 H new ATOM 0 HA THR A 43 -4.490 -2.511 1.562 1.00 0.00 H new ATOM 0 HB THR A 43 -4.307 -3.807 4.310 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.353 -4.765 3.688 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.425 -2.616 4.733 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.101 -1.489 4.353 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.324 -1.873 3.119 1.00 0.00 H new ATOM 645 N ILE A 44 -3.362 -0.709 2.999 1.00 0.00 N ATOM 646 CA ILE A 44 -2.523 0.354 3.536 1.00 0.00 C ATOM 647 C ILE A 44 -3.203 1.053 4.709 1.00 0.00 C ATOM 648 O ILE A 44 -4.419 1.250 4.708 1.00 0.00 O ATOM 649 CB ILE A 44 -2.181 1.401 2.459 1.00 0.00 C ATOM 650 CG1 ILE A 44 -2.081 0.736 1.085 1.00 0.00 C ATOM 651 CG2 ILE A 44 -0.881 2.111 2.805 1.00 0.00 C ATOM 652 CD1 ILE A 44 -1.665 1.685 -0.017 1.00 0.00 C ATOM 0 H ILE A 44 -4.278 -0.400 2.674 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.602 -0.116 3.880 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.980 2.142 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.364 -0.083 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.046 0.298 0.831 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.653 2.848 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.985 2.612 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.072 1.382 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.615 1.145 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.394 2.491 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.686 2.104 0.214 1.00 0.00 H new ATOM 664 N THR A 45 -2.411 1.426 5.709 1.00 0.00 N ATOM 665 CA THR A 45 -2.936 2.103 6.888 1.00 0.00 C ATOM 666 C THR A 45 -2.116 3.345 7.219 1.00 0.00 C ATOM 667 O THR A 45 -1.213 3.300 8.054 1.00 0.00 O ATOM 668 CB THR A 45 -2.949 1.169 8.113 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.578 -0.073 7.775 1.00 0.00 O ATOM 670 CG2 THR A 45 -3.684 1.815 9.278 1.00 0.00 C ATOM 0 H THR A 45 -1.403 1.271 5.726 1.00 0.00 H new ATOM 0 HA THR A 45 -3.959 2.398 6.654 1.00 0.00 H new ATOM 0 HB THR A 45 -1.917 0.984 8.413 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.581 -0.662 8.558 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.680 1.137 10.131 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.186 2.745 9.551 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.713 2.026 8.987 1.00 0.00 H new ATOM 678 N ALA A 46 -2.438 4.453 6.560 1.00 0.00 N ATOM 679 CA ALA A 46 -1.732 5.709 6.787 1.00 0.00 C ATOM 680 C ALA A 46 -2.375 6.502 7.920 1.00 0.00 C ATOM 681 O ALA A 46 -3.483 7.021 7.778 1.00 0.00 O ATOM 682 CB ALA A 46 -1.703 6.536 5.511 1.00 0.00 C ATOM 0 H ALA A 46 -3.183 4.507 5.865 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.708 5.475 7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.173 7.471 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.192 5.977 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.723 6.754 5.195 1.00 0.00 H new ATOM 688 N THR A 47 -1.673 6.594 9.045 1.00 0.00 N ATOM 689 CA THR A 47 -2.176 7.322 10.203 1.00 0.00 C ATOM 690 C THR A 47 -1.366 8.590 10.449 1.00 0.00 C ATOM 691 O THR A 47 -0.145 8.596 10.300 1.00 0.00 O ATOM 692 CB THR A 47 -2.144 6.451 11.473 1.00 0.00 C ATOM 693 OG1 THR A 47 -0.831 5.912 11.664 1.00 0.00 O ATOM 694 CG2 THR A 47 -3.154 5.318 11.377 1.00 0.00 C ATOM 0 H THR A 47 -0.754 6.173 9.179 1.00 0.00 H new ATOM 0 HA THR A 47 -3.209 7.591 9.983 1.00 0.00 H new ATOM 0 HB THR A 47 -2.406 7.079 12.325 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.818 5.361 12.474 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.113 4.716 12.285 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.155 5.732 11.261 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.918 4.692 10.516 1.00 0.00 H new ATOM 702 N ASN A 48 -2.054 9.662 10.828 1.00 0.00 N ATOM 703 CA ASN A 48 -1.397 10.936 11.096 1.00 0.00 C ATOM 704 C ASN A 48 -1.895 11.541 12.405 1.00 0.00 C ATOM 705 O ASN A 48 -3.050 11.956 12.510 1.00 0.00 O ATOM 706 CB ASN A 48 -1.643 11.912 9.944 1.00 0.00 C ATOM 707 CG ASN A 48 -1.048 13.282 10.209 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.071 13.414 10.946 1.00 0.00 O ATOM 709 ND2 ASN A 48 -1.637 14.309 9.609 1.00 0.00 N ATOM 0 H ASN A 48 -3.066 9.674 10.956 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.326 10.752 11.186 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.215 11.504 9.028 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.716 12.011 9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.282 15.255 9.751 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.445 14.153 9.006 1.00 0.00 H new ATOM 716 N PHE A 49 -1.017 11.587 13.401 1.00 0.00 N ATOM 717 CA PHE A 49 -1.367 12.141 14.704 1.00 0.00 C ATOM 718 C PHE A 49 -0.772 13.535 14.880 1.00 0.00 C ATOM 719 O PHE A 49 -1.141 14.267 15.799 1.00 0.00 O ATOM 720 CB PHE A 49 -0.876 11.219 15.822 1.00 0.00 C ATOM 721 CG PHE A 49 -1.683 9.960 15.960 1.00 0.00 C ATOM 722 CD1 PHE A 49 -1.429 8.866 15.149 1.00 0.00 C ATOM 723 CD2 PHE A 49 -2.697 9.871 16.900 1.00 0.00 C ATOM 724 CE1 PHE A 49 -2.170 7.706 15.273 1.00 0.00 C ATOM 725 CE2 PHE A 49 -3.441 8.714 17.029 1.00 0.00 C ATOM 726 CZ PHE A 49 -3.178 7.630 16.214 1.00 0.00 C ATOM 0 H PHE A 49 -0.058 11.247 13.331 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.453 12.220 14.758 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.165 10.955 15.633 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.901 11.762 16.767 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.642 8.920 14.411 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.908 10.716 17.539 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.961 6.860 14.635 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.228 8.657 17.767 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.759 6.725 16.312 1.00 0.00 H new ATOM 736 N SER A 50 0.151 13.894 13.994 1.00 0.00 N ATOM 737 CA SER A 50 0.800 15.198 14.054 1.00 0.00 C ATOM 738 C SER A 50 -0.234 16.318 14.127 1.00 0.00 C ATOM 739 O SER A 50 -1.428 16.087 13.939 1.00 0.00 O ATOM 740 CB SER A 50 1.700 15.400 12.833 1.00 0.00 C ATOM 741 OG SER A 50 0.938 15.748 11.690 1.00 0.00 O ATOM 0 H SER A 50 0.466 13.301 13.227 1.00 0.00 H new ATOM 0 HA SER A 50 1.410 15.231 14.957 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.429 16.183 13.040 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.261 14.487 12.636 1.00 0.00 H new ATOM 0 HG SER A 50 0.341 15.007 11.457 1.00 0.00 H new ATOM 747 N GLU A 51 0.235 17.531 14.403 1.00 0.00 N ATOM 748 CA GLU A 51 -0.649 18.686 14.503 1.00 0.00 C ATOM 749 C GLU A 51 -0.879 19.315 13.132 1.00 0.00 C ATOM 750 O GLU A 51 -0.847 20.536 12.984 1.00 0.00 O ATOM 751 CB GLU A 51 -0.061 19.725 15.461 1.00 0.00 C ATOM 752 CG GLU A 51 1.316 20.219 15.052 1.00 0.00 C ATOM 753 CD GLU A 51 1.807 21.361 15.920 1.00 0.00 C ATOM 754 OE1 GLU A 51 1.043 22.330 16.112 1.00 0.00 O ATOM 755 OE2 GLU A 51 2.955 21.287 16.406 1.00 0.00 O ATOM 0 H GLU A 51 1.221 17.739 14.561 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.608 18.345 14.893 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.740 20.576 15.522 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.001 19.293 16.460 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.026 19.394 15.108 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.287 20.544 14.012 1.00 0.00 H new ATOM 762 N GLY A 52 -1.109 18.471 12.131 1.00 0.00 N ATOM 763 CA GLY A 52 -1.340 18.962 10.785 1.00 0.00 C ATOM 764 C GLY A 52 -2.101 17.970 9.928 1.00 0.00 C ATOM 765 O GLY A 52 -1.540 16.973 9.474 1.00 0.00 O ATOM 0 H GLY A 52 -1.139 17.456 12.228 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.897 19.898 10.834 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.383 19.185 10.314 1.00 0.00 H new ATOM 769 N ASP A 53 -3.383 18.241 9.709 1.00 0.00 N ATOM 770 CA ASP A 53 -4.223 17.364 8.902 1.00 0.00 C ATOM 771 C ASP A 53 -3.642 17.192 7.502 1.00 0.00 C ATOM 772 O ASP A 53 -3.004 18.099 6.968 1.00 0.00 O ATOM 773 CB ASP A 53 -5.644 17.924 8.812 1.00 0.00 C ATOM 774 CG ASP A 53 -6.080 18.604 10.095 1.00 0.00 C ATOM 775 OD1 ASP A 53 -5.670 19.762 10.322 1.00 0.00 O ATOM 776 OD2 ASP A 53 -6.831 17.979 10.872 1.00 0.00 O ATOM 0 H ASP A 53 -3.863 19.061 10.079 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.255 16.388 9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.699 18.637 7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.336 17.115 8.579 1.00 0.00 H new ATOM 781 N VAL A 54 -3.865 16.021 6.914 1.00 0.00 N ATOM 782 CA VAL A 54 -3.364 15.729 5.576 1.00 0.00 C ATOM 783 C VAL A 54 -4.510 15.499 4.598 1.00 0.00 C ATOM 784 O VAL A 54 -5.341 14.611 4.794 1.00 0.00 O ATOM 785 CB VAL A 54 -2.448 14.491 5.578 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.278 13.951 4.166 1.00 0.00 C ATOM 787 CG2 VAL A 54 -1.099 14.828 6.195 1.00 0.00 C ATOM 0 H VAL A 54 -4.390 15.259 7.343 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.788 16.597 5.257 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.915 13.715 6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.628 13.076 4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.252 13.670 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.833 14.719 3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.464 13.942 6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.622 15.620 5.617 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.242 15.164 7.222 1.00 0.00 H new ATOM 797 N THR A 55 -4.550 16.304 3.541 1.00 0.00 N ATOM 798 CA THR A 55 -5.594 16.189 2.531 1.00 0.00 C ATOM 799 C THR A 55 -5.019 15.740 1.193 1.00 0.00 C ATOM 800 O THR A 55 -3.803 15.615 1.039 1.00 0.00 O ATOM 801 CB THR A 55 -6.337 17.525 2.336 1.00 0.00 C ATOM 802 OG1 THR A 55 -5.394 18.584 2.135 1.00 0.00 O ATOM 803 CG2 THR A 55 -7.211 17.839 3.540 1.00 0.00 C ATOM 0 H THR A 55 -3.870 17.043 3.362 1.00 0.00 H new ATOM 0 HA THR A 55 -6.299 15.439 2.890 1.00 0.00 H new ATOM 0 HB THR A 55 -6.976 17.436 1.457 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.873 19.430 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.725 18.786 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.946 17.045 3.673 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.589 17.911 4.432 1.00 0.00 H new ATOM 811 N HIS A 56 -5.898 15.500 0.226 1.00 0.00 N ATOM 812 CA HIS A 56 -5.476 15.066 -1.101 1.00 0.00 C ATOM 813 C HIS A 56 -4.420 13.969 -1.004 1.00 0.00 C ATOM 814 O HIS A 56 -3.371 14.045 -1.644 1.00 0.00 O ATOM 815 CB HIS A 56 -4.927 16.250 -1.897 1.00 0.00 C ATOM 816 CG HIS A 56 -5.125 16.120 -3.376 1.00 0.00 C ATOM 817 ND1 HIS A 56 -4.079 16.046 -4.272 1.00 0.00 N ATOM 818 CD2 HIS A 56 -6.257 16.050 -4.115 1.00 0.00 C ATOM 819 CE1 HIS A 56 -4.559 15.938 -5.498 1.00 0.00 C ATOM 820 NE2 HIS A 56 -5.878 15.937 -5.430 1.00 0.00 N ATOM 0 H HIS A 56 -6.907 15.599 0.336 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.347 14.663 -1.618 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -5.411 17.164 -1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -3.862 16.355 -1.689 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.270 16.078 -3.740 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.973 15.863 -6.402 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -6.512 15.864 -6.225 1.00 0.00 H new ATOM 828 N PHE A 57 -4.703 12.951 -0.198 1.00 0.00 N ATOM 829 CA PHE A 57 -3.777 11.840 -0.015 1.00 0.00 C ATOM 830 C PHE A 57 -3.929 10.815 -1.135 1.00 0.00 C ATOM 831 O PHE A 57 -4.947 10.129 -1.229 1.00 0.00 O ATOM 832 CB PHE A 57 -4.012 11.170 1.340 1.00 0.00 C ATOM 833 CG PHE A 57 -3.198 9.924 1.542 1.00 0.00 C ATOM 834 CD1 PHE A 57 -2.070 9.685 0.773 1.00 0.00 C ATOM 835 CD2 PHE A 57 -3.560 8.992 2.501 1.00 0.00 C ATOM 836 CE1 PHE A 57 -1.319 8.540 0.956 1.00 0.00 C ATOM 837 CE2 PHE A 57 -2.812 7.845 2.689 1.00 0.00 C ATOM 838 CZ PHE A 57 -1.691 7.618 1.915 1.00 0.00 C ATOM 0 H PHE A 57 -5.567 12.873 0.339 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.762 12.237 -0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.777 11.880 2.133 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.069 10.923 1.436 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.775 10.402 0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.436 9.164 3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.442 8.366 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.104 7.127 3.441 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.106 6.721 2.059 1.00 0.00 H new ATOM 848 N ILE A 58 -2.910 10.719 -1.983 1.00 0.00 N ATOM 849 CA ILE A 58 -2.930 9.778 -3.096 1.00 0.00 C ATOM 850 C ILE A 58 -1.792 8.769 -2.983 1.00 0.00 C ATOM 851 O ILE A 58 -0.621 9.144 -2.917 1.00 0.00 O ATOM 852 CB ILE A 58 -2.823 10.506 -4.450 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.076 11.348 -4.700 1.00 0.00 C ATOM 854 CG2 ILE A 58 -2.619 9.503 -5.575 1.00 0.00 C ATOM 855 CD1 ILE A 58 -3.922 12.336 -5.835 1.00 0.00 C ATOM 0 H ILE A 58 -2.061 11.281 -1.920 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.884 9.253 -3.049 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.960 11.171 -4.422 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.913 10.684 -4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.328 11.890 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.545 10.032 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.701 8.942 -5.400 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.464 8.815 -5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.848 12.898 -5.956 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.106 13.024 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.701 11.799 -6.757 1.00 0.00 H new ATOM 867 N CYS A 59 -2.145 7.489 -2.964 1.00 0.00 N ATOM 868 CA CYS A 59 -1.153 6.424 -2.860 1.00 0.00 C ATOM 869 C CYS A 59 -1.120 5.586 -4.134 1.00 0.00 C ATOM 870 O CYS A 59 -2.080 4.884 -4.450 1.00 0.00 O ATOM 871 CB CYS A 59 -1.455 5.532 -1.655 1.00 0.00 C ATOM 872 SG CYS A 59 -0.297 4.161 -1.443 1.00 0.00 S ATOM 0 H CYS A 59 -3.110 7.163 -3.019 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.174 6.885 -2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.446 6.143 -0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.463 5.130 -1.758 1.00 0.00 H new ATOM 0 HG CYS A 59 0.016 4.048 -0.186 1.00 0.00 H new ATOM 878 N GLN A 60 -0.010 5.666 -4.861 1.00 0.00 N ATOM 879 CA GLN A 60 0.145 4.916 -6.101 1.00 0.00 C ATOM 880 C GLN A 60 1.130 3.765 -5.922 1.00 0.00 C ATOM 881 O GLN A 60 1.909 3.745 -4.969 1.00 0.00 O ATOM 882 CB GLN A 60 0.621 5.840 -7.224 1.00 0.00 C ATOM 883 CG GLN A 60 -0.448 6.804 -7.713 1.00 0.00 C ATOM 884 CD GLN A 60 -1.408 6.162 -8.695 1.00 0.00 C ATOM 885 OE1 GLN A 60 -1.060 5.201 -9.383 1.00 0.00 O ATOM 886 NE2 GLN A 60 -2.624 6.690 -8.766 1.00 0.00 N ATOM 0 H GLN A 60 0.794 6.242 -4.613 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.826 4.500 -6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.481 6.411 -6.873 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.962 5.233 -8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.008 7.183 -6.858 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.030 7.661 -8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.870 7.486 -8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.313 6.300 -9.409 1.00 0.00 H new ATOM 895 N ALA A 61 1.090 2.809 -6.844 1.00 0.00 N ATOM 896 CA ALA A 61 1.980 1.656 -6.788 1.00 0.00 C ATOM 897 C ALA A 61 2.365 1.192 -8.189 1.00 0.00 C ATOM 898 O ALA A 61 1.874 1.720 -9.185 1.00 0.00 O ATOM 899 CB ALA A 61 1.325 0.521 -6.016 1.00 0.00 C ATOM 0 H ALA A 61 0.451 2.810 -7.639 1.00 0.00 H new ATOM 0 HA ALA A 61 2.891 1.956 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.001 -0.334 -5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.106 0.851 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.398 0.231 -6.511 1.00 0.00 H new ATOM 905 N ALA A 62 3.249 0.201 -8.257 1.00 0.00 N ATOM 906 CA ALA A 62 3.699 -0.335 -9.535 1.00 0.00 C ATOM 907 C ALA A 62 4.170 -1.778 -9.390 1.00 0.00 C ATOM 908 O ALA A 62 4.916 -2.108 -8.469 1.00 0.00 O ATOM 909 CB ALA A 62 4.812 0.531 -10.108 1.00 0.00 C ATOM 0 H ALA A 62 3.667 -0.246 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 62 2.854 -0.324 -10.223 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.139 0.119 -11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.443 1.546 -10.258 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.652 0.549 -9.414 1.00 0.00 H new ATOM 915 N VAL A 63 3.728 -2.634 -10.306 1.00 0.00 N ATOM 916 CA VAL A 63 4.105 -4.042 -10.281 1.00 0.00 C ATOM 917 C VAL A 63 4.671 -4.484 -11.626 1.00 0.00 C ATOM 918 O VAL A 63 4.319 -3.954 -12.680 1.00 0.00 O ATOM 919 CB VAL A 63 2.904 -4.938 -9.922 1.00 0.00 C ATOM 920 CG1 VAL A 63 2.199 -4.414 -8.680 1.00 0.00 C ATOM 921 CG2 VAL A 63 1.939 -5.029 -11.094 1.00 0.00 C ATOM 0 H VAL A 63 3.109 -2.377 -11.074 1.00 0.00 H new ATOM 0 HA VAL A 63 4.872 -4.151 -9.514 1.00 0.00 H new ATOM 0 HB VAL A 63 3.273 -5.941 -9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.354 -5.060 -8.442 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.896 -4.405 -7.842 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.841 -3.401 -8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.097 -5.666 -10.823 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.575 -4.032 -11.344 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.453 -5.454 -11.956 1.00 0.00 H new ATOM 931 N PRO A 64 5.569 -5.480 -11.591 1.00 0.00 N ATOM 932 CA PRO A 64 6.202 -6.017 -12.799 1.00 0.00 C ATOM 933 C PRO A 64 5.223 -6.798 -13.669 1.00 0.00 C ATOM 934 O PRO A 64 4.249 -7.363 -13.171 1.00 0.00 O ATOM 935 CB PRO A 64 7.287 -6.946 -12.248 1.00 0.00 C ATOM 936 CG PRO A 64 6.796 -7.343 -10.899 1.00 0.00 C ATOM 937 CD PRO A 64 6.034 -6.159 -10.370 1.00 0.00 C ATOM 0 HA PRO A 64 6.586 -5.226 -13.444 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.427 -7.816 -12.890 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.249 -6.438 -12.185 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.156 -8.223 -10.960 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.627 -7.598 -10.241 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.200 -6.467 -9.739 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.668 -5.510 -9.766 1.00 0.00 H new ATOM 945 N LYS A 65 5.488 -6.827 -14.970 1.00 0.00 N ATOM 946 CA LYS A 65 4.632 -7.541 -15.910 1.00 0.00 C ATOM 947 C LYS A 65 4.294 -8.934 -15.389 1.00 0.00 C ATOM 948 O LYS A 65 3.251 -9.497 -15.724 1.00 0.00 O ATOM 949 CB LYS A 65 5.315 -7.648 -17.275 1.00 0.00 C ATOM 950 CG LYS A 65 6.432 -8.677 -17.317 1.00 0.00 C ATOM 951 CD LYS A 65 7.736 -8.107 -16.784 1.00 0.00 C ATOM 952 CE LYS A 65 8.941 -8.773 -17.430 1.00 0.00 C ATOM 953 NZ LYS A 65 10.200 -8.028 -17.155 1.00 0.00 N ATOM 0 H LYS A 65 6.290 -6.364 -15.398 1.00 0.00 H new ATOM 0 HA LYS A 65 3.705 -6.977 -16.017 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.568 -7.904 -18.027 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.720 -6.673 -17.547 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.147 -9.549 -16.728 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.575 -9.018 -18.342 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.768 -7.034 -16.971 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.779 -8.244 -15.703 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.034 -9.793 -17.059 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.786 -8.839 -18.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.998 -8.514 -17.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.121 -7.062 -17.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.362 -7.987 -16.129 1.00 0.00 H new ATOM 967 N SER A 66 5.181 -9.485 -14.567 1.00 0.00 N ATOM 968 CA SER A 66 4.978 -10.813 -14.001 1.00 0.00 C ATOM 969 C SER A 66 3.688 -10.866 -13.188 1.00 0.00 C ATOM 970 O SER A 66 2.895 -11.799 -13.320 1.00 0.00 O ATOM 971 CB SER A 66 6.166 -11.202 -13.119 1.00 0.00 C ATOM 972 OG SER A 66 6.442 -10.195 -12.161 1.00 0.00 O ATOM 0 H SER A 66 6.048 -9.032 -14.278 1.00 0.00 H new ATOM 0 HA SER A 66 4.898 -11.523 -14.824 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.953 -12.143 -12.611 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.046 -11.367 -13.741 1.00 0.00 H new ATOM 0 HG SER A 66 7.349 -9.851 -12.300 1.00 0.00 H new ATOM 978 N LEU A 67 3.484 -9.858 -12.347 1.00 0.00 N ATOM 979 CA LEU A 67 2.291 -9.787 -11.512 1.00 0.00 C ATOM 980 C LEU A 67 1.328 -8.722 -12.027 1.00 0.00 C ATOM 981 O LEU A 67 1.709 -7.855 -12.812 1.00 0.00 O ATOM 982 CB LEU A 67 2.676 -9.484 -10.063 1.00 0.00 C ATOM 983 CG LEU A 67 3.927 -10.190 -9.539 1.00 0.00 C ATOM 984 CD1 LEU A 67 4.364 -9.588 -8.212 1.00 0.00 C ATOM 985 CD2 LEU A 67 3.675 -11.684 -9.392 1.00 0.00 C ATOM 0 H LEU A 67 4.130 -9.078 -12.226 1.00 0.00 H new ATOM 0 HA LEU A 67 1.790 -10.754 -11.554 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.822 -8.408 -9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.836 -9.752 -9.421 1.00 0.00 H new ATOM 0 HG LEU A 67 4.731 -10.047 -10.261 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.256 -10.103 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.587 -8.530 -8.348 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.563 -9.699 -7.481 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.576 -12.170 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.857 -11.848 -8.691 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.411 -12.106 -10.362 1.00 0.00 H new ATOM 997 N GLN A 68 0.079 -8.794 -11.578 1.00 0.00 N ATOM 998 CA GLN A 68 -0.938 -7.835 -11.993 1.00 0.00 C ATOM 999 C GLN A 68 -1.223 -6.829 -10.882 1.00 0.00 C ATOM 1000 O GLN A 68 -0.849 -7.040 -9.728 1.00 0.00 O ATOM 1001 CB GLN A 68 -2.227 -8.562 -12.382 1.00 0.00 C ATOM 1002 CG GLN A 68 -3.044 -7.830 -13.433 1.00 0.00 C ATOM 1003 CD GLN A 68 -4.244 -8.631 -13.901 1.00 0.00 C ATOM 1004 OE1 GLN A 68 -5.390 -8.229 -13.698 1.00 0.00 O ATOM 1005 NE2 GLN A 68 -3.986 -9.771 -14.531 1.00 0.00 N ATOM 0 H GLN A 68 -0.253 -9.506 -10.927 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.559 -7.294 -12.860 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.976 -9.555 -12.755 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.839 -8.702 -11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.384 -6.878 -13.026 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.408 -7.602 -14.288 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.021 -10.066 -14.677 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.753 -10.352 -14.869 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.888 -5.736 -11.238 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.224 -4.696 -10.271 1.00 0.00 C ATOM 1016 C LEU A 69 -3.597 -4.102 -10.565 1.00 0.00 C ATOM 1017 O LEU A 69 -3.965 -3.908 -11.724 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.164 -3.593 -10.291 1.00 0.00 C ATOM 1019 CG LEU A 69 -1.179 -2.627 -9.105 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.941 -3.376 -7.804 1.00 0.00 C ATOM 1021 CD2 LEU A 69 -0.135 -1.536 -9.293 1.00 0.00 C ATOM 0 H LEU A 69 -2.205 -5.546 -12.189 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.250 -5.150 -9.280 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.181 -4.062 -10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.287 -3.015 -11.207 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.161 -2.158 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.955 -2.673 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.725 -4.120 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.028 -3.873 -7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.160 -0.858 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.854 -1.988 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.350 -0.980 -10.205 1.00 0.00 H new ATOM 1033 N GLN A 70 -4.350 -3.814 -9.509 1.00 0.00 N ATOM 1034 CA GLN A 70 -5.683 -3.240 -9.654 1.00 0.00 C ATOM 1035 C GLN A 70 -5.961 -2.222 -8.553 1.00 0.00 C ATOM 1036 O GLN A 70 -6.021 -2.570 -7.373 1.00 0.00 O ATOM 1037 CB GLN A 70 -6.742 -4.344 -9.624 1.00 0.00 C ATOM 1038 CG GLN A 70 -8.161 -3.830 -9.811 1.00 0.00 C ATOM 1039 CD GLN A 70 -9.201 -4.924 -9.665 1.00 0.00 C ATOM 1040 OE1 GLN A 70 -8.886 -6.111 -9.751 1.00 0.00 O ATOM 1041 NE2 GLN A 70 -10.449 -4.528 -9.444 1.00 0.00 N ATOM 0 H GLN A 70 -4.060 -3.969 -8.543 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.728 -2.728 -10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.521 -5.070 -10.407 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.678 -4.872 -8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.359 -3.046 -9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.252 -3.376 -10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.665 -3.533 -9.380 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.192 -5.219 -9.338 1.00 0.00 H new ATOM 1050 N LEU A 71 -6.129 -0.965 -8.946 1.00 0.00 N ATOM 1051 CA LEU A 71 -6.401 0.105 -7.991 1.00 0.00 C ATOM 1052 C LEU A 71 -7.882 0.148 -7.628 1.00 0.00 C ATOM 1053 O LEU A 71 -8.735 0.359 -8.489 1.00 0.00 O ATOM 1054 CB LEU A 71 -5.967 1.453 -8.569 1.00 0.00 C ATOM 1055 CG LEU A 71 -5.860 2.608 -7.572 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -4.835 3.627 -8.045 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -7.217 3.266 -7.372 1.00 0.00 C ATOM 0 H LEU A 71 -6.082 -0.661 -9.918 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.830 -0.096 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.998 1.324 -9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.675 1.736 -9.348 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.528 2.208 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.772 4.442 -7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.861 3.147 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.137 4.023 -9.014 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.122 4.086 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.578 3.653 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.925 2.531 -6.988 1.00 0.00 H new ATOM 1069 N GLN A 72 -8.177 -0.052 -6.348 1.00 0.00 N ATOM 1070 CA GLN A 72 -9.555 -0.035 -5.871 1.00 0.00 C ATOM 1071 C GLN A 72 -9.910 1.326 -5.281 1.00 0.00 C ATOM 1072 O GLN A 72 -9.043 2.043 -4.784 1.00 0.00 O ATOM 1073 CB GLN A 72 -9.768 -1.129 -4.823 1.00 0.00 C ATOM 1074 CG GLN A 72 -11.211 -1.595 -4.716 1.00 0.00 C ATOM 1075 CD GLN A 72 -12.008 -0.797 -3.702 1.00 0.00 C ATOM 1076 OE1 GLN A 72 -12.797 0.077 -4.064 1.00 0.00 O ATOM 1077 NE2 GLN A 72 -11.806 -1.094 -2.424 1.00 0.00 N ATOM 0 H GLN A 72 -7.481 -0.228 -5.623 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.210 -0.224 -6.722 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.136 -1.983 -5.067 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.441 -0.759 -3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.688 -1.514 -5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.229 -2.649 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.143 -1.826 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.314 -0.590 -1.697 1.00 0.00 H new ATOM 1086 N ALA A 73 -11.191 1.676 -5.341 1.00 0.00 N ATOM 1087 CA ALA A 73 -11.661 2.950 -4.812 1.00 0.00 C ATOM 1088 C ALA A 73 -11.289 3.104 -3.341 1.00 0.00 C ATOM 1089 O ALA A 73 -11.626 2.270 -2.500 1.00 0.00 O ATOM 1090 CB ALA A 73 -13.166 3.074 -4.994 1.00 0.00 C ATOM 0 H ALA A 73 -11.922 1.094 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.172 3.749 -5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.503 4.030 -4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.410 3.018 -6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.665 2.263 -4.463 1.00 0.00 H new ATOM 1096 N PRO A 74 -10.577 4.194 -3.021 1.00 0.00 N ATOM 1097 CA PRO A 74 -10.144 4.483 -1.650 1.00 0.00 C ATOM 1098 C PRO A 74 -11.310 4.856 -0.740 1.00 0.00 C ATOM 1099 O PRO A 74 -12.463 4.877 -1.170 1.00 0.00 O ATOM 1100 CB PRO A 74 -9.196 5.672 -1.820 1.00 0.00 C ATOM 1101 CG PRO A 74 -9.640 6.333 -3.080 1.00 0.00 C ATOM 1102 CD PRO A 74 -10.141 5.231 -3.971 1.00 0.00 C ATOM 0 HA PRO A 74 -9.681 3.616 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.260 6.354 -0.972 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.159 5.345 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.425 7.062 -2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.816 6.871 -3.550 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.963 5.568 -4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.358 4.864 -4.635 1.00 0.00 H new ATOM 1110 N SER A 75 -11.001 5.151 0.518 1.00 0.00 N ATOM 1111 CA SER A 75 -12.024 5.521 1.490 1.00 0.00 C ATOM 1112 C SER A 75 -12.194 7.036 1.549 1.00 0.00 C ATOM 1113 O SER A 75 -13.223 7.539 2.000 1.00 0.00 O ATOM 1114 CB SER A 75 -11.660 4.983 2.875 1.00 0.00 C ATOM 1115 OG SER A 75 -11.096 3.686 2.786 1.00 0.00 O ATOM 0 H SER A 75 -10.051 5.141 0.889 1.00 0.00 H new ATOM 0 HA SER A 75 -12.968 5.079 1.173 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.953 5.658 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 75 -12.551 4.953 3.503 1.00 0.00 H new ATOM 0 HG SER A 75 -10.206 3.744 2.380 1.00 0.00 H new ATOM 1121 N GLY A 76 -11.176 7.758 1.090 1.00 0.00 N ATOM 1122 CA GLY A 76 -11.232 9.209 1.100 1.00 0.00 C ATOM 1123 C GLY A 76 -9.908 9.842 0.721 1.00 0.00 C ATOM 1124 O GLY A 76 -8.947 9.144 0.404 1.00 0.00 O ATOM 0 H GLY A 76 -10.314 7.365 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.003 9.545 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.524 9.552 2.093 1.00 0.00 H new ATOM 1128 N ASN A 77 -9.859 11.170 0.753 1.00 0.00 N ATOM 1129 CA ASN A 77 -8.643 11.898 0.408 1.00 0.00 C ATOM 1130 C ASN A 77 -8.208 12.805 1.555 1.00 0.00 C ATOM 1131 O ASN A 77 -7.187 13.489 1.469 1.00 0.00 O ATOM 1132 CB ASN A 77 -8.862 12.728 -0.858 1.00 0.00 C ATOM 1133 CG ASN A 77 -9.350 11.887 -2.023 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -10.487 11.415 -2.028 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -8.490 11.697 -3.016 1.00 0.00 N ATOM 0 H ASN A 77 -10.646 11.763 1.014 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.853 11.169 0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.588 13.515 -0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.929 13.219 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.762 11.140 -3.826 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.558 12.108 -2.969 1.00 0.00 H new ATOM 1142 N THR A 78 -8.990 12.807 2.630 1.00 0.00 N ATOM 1143 CA THR A 78 -8.687 13.630 3.794 1.00 0.00 C ATOM 1144 C THR A 78 -8.338 12.768 5.002 1.00 0.00 C ATOM 1145 O THR A 78 -8.826 11.645 5.138 1.00 0.00 O ATOM 1146 CB THR A 78 -9.871 14.547 4.157 1.00 0.00 C ATOM 1147 OG1 THR A 78 -10.241 15.340 3.025 1.00 0.00 O ATOM 1148 CG2 THR A 78 -9.514 15.455 5.324 1.00 0.00 C ATOM 0 H THR A 78 -9.838 12.248 2.718 1.00 0.00 H new ATOM 0 HA THR A 78 -7.827 14.246 3.530 1.00 0.00 H new ATOM 0 HB THR A 78 -10.712 13.919 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.995 15.919 3.263 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.365 16.093 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.261 14.848 6.193 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.660 16.076 5.054 1.00 0.00 H new ATOM 1156 N VAL A 79 -7.491 13.299 5.878 1.00 0.00 N ATOM 1157 CA VAL A 79 -7.078 12.578 7.076 1.00 0.00 C ATOM 1158 C VAL A 79 -7.006 13.509 8.280 1.00 0.00 C ATOM 1159 O VAL A 79 -6.366 14.560 8.246 1.00 0.00 O ATOM 1160 CB VAL A 79 -5.708 11.902 6.880 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -5.147 11.435 8.215 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -5.821 10.741 5.904 1.00 0.00 C ATOM 0 H VAL A 79 -7.077 14.226 5.780 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.830 11.811 7.259 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.018 12.634 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.179 10.960 8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.027 12.291 8.879 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.833 10.719 8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.844 10.275 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.526 10.006 6.293 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.175 11.109 4.941 1.00 0.00 H new ATOM 1172 N PRO A 80 -7.678 13.117 9.373 1.00 0.00 N ATOM 1173 CA PRO A 80 -7.705 13.902 10.610 1.00 0.00 C ATOM 1174 C PRO A 80 -6.357 13.909 11.322 1.00 0.00 C ATOM 1175 O PRO A 80 -5.763 12.856 11.557 1.00 0.00 O ATOM 1176 CB PRO A 80 -8.756 13.186 11.462 1.00 0.00 C ATOM 1177 CG PRO A 80 -8.765 11.786 10.955 1.00 0.00 C ATOM 1178 CD PRO A 80 -8.463 11.876 9.484 1.00 0.00 C ATOM 0 HA PRO A 80 -7.932 14.951 10.421 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.499 13.222 12.521 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.736 13.652 11.356 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.020 11.180 11.470 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.733 11.315 11.127 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.899 11.011 9.136 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.375 11.922 8.889 1.00 0.00 H new ATOM 1186 N ALA A 81 -5.879 15.101 11.664 1.00 0.00 N ATOM 1187 CA ALA A 81 -4.602 15.243 12.352 1.00 0.00 C ATOM 1188 C ALA A 81 -4.753 14.991 13.848 1.00 0.00 C ATOM 1189 O ALA A 81 -3.817 15.200 14.620 1.00 0.00 O ATOM 1190 CB ALA A 81 -4.020 16.627 12.104 1.00 0.00 C ATOM 0 H ALA A 81 -6.357 15.982 11.476 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.917 14.496 11.952 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.066 16.719 12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.866 16.771 11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.710 17.384 12.476 1.00 0.00 H new ATOM 1196 N ARG A 82 -5.936 14.541 14.251 1.00 0.00 N ATOM 1197 CA ARG A 82 -6.210 14.263 15.656 1.00 0.00 C ATOM 1198 C ARG A 82 -6.423 12.769 15.883 1.00 0.00 C ATOM 1199 O ARG A 82 -7.366 12.361 16.559 1.00 0.00 O ATOM 1200 CB ARG A 82 -7.442 15.041 16.122 1.00 0.00 C ATOM 1201 CG ARG A 82 -7.307 16.547 15.965 1.00 0.00 C ATOM 1202 CD ARG A 82 -7.343 16.960 14.502 1.00 0.00 C ATOM 1203 NE ARG A 82 -7.784 18.342 14.334 1.00 0.00 N ATOM 1204 CZ ARG A 82 -9.050 18.729 14.446 1.00 0.00 C ATOM 1205 NH1 ARG A 82 -9.995 17.842 14.725 1.00 0.00 N ATOM 1206 NH2 ARG A 82 -9.372 20.005 14.280 1.00 0.00 N ATOM 0 H ARG A 82 -6.721 14.361 13.625 1.00 0.00 H new ATOM 0 HA ARG A 82 -5.346 14.582 16.238 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -8.310 14.702 15.557 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.633 14.809 17.170 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.113 17.044 16.504 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.371 16.878 16.415 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.351 16.841 14.067 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -8.013 16.297 13.954 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.081 19.049 14.119 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.751 16.860 14.854 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.966 18.141 14.811 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.647 20.690 14.066 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.344 20.301 14.366 1.00 0.00 H new ATOM 1220 N GLY A 83 -5.539 11.957 15.311 1.00 0.00 N ATOM 1221 CA GLY A 83 -5.648 10.518 15.462 1.00 0.00 C ATOM 1222 C GLY A 83 -7.051 10.011 15.192 1.00 0.00 C ATOM 1223 O GLY A 83 -7.630 9.301 16.013 1.00 0.00 O ATOM 0 H GLY A 83 -4.750 12.270 14.746 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.951 10.030 14.780 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.352 10.239 16.473 1.00 0.00 H new ATOM 1227 N GLY A 84 -7.600 10.378 14.038 1.00 0.00 N ATOM 1228 CA GLY A 84 -8.940 9.949 13.684 1.00 0.00 C ATOM 1229 C GLY A 84 -8.958 8.576 13.043 1.00 0.00 C ATOM 1230 O GLY A 84 -8.759 7.564 13.718 1.00 0.00 O ATOM 0 H GLY A 84 -7.140 10.965 13.342 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.563 9.937 14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.381 10.673 12.998 1.00 0.00 H new ATOM 1234 N LEU A 85 -9.199 8.538 11.737 1.00 0.00 N ATOM 1235 CA LEU A 85 -9.245 7.277 11.004 1.00 0.00 C ATOM 1236 C LEU A 85 -8.394 7.351 9.740 1.00 0.00 C ATOM 1237 O LEU A 85 -8.615 8.184 8.861 1.00 0.00 O ATOM 1238 CB LEU A 85 -10.689 6.928 10.640 1.00 0.00 C ATOM 1239 CG LEU A 85 -11.695 6.949 11.791 1.00 0.00 C ATOM 1240 CD1 LEU A 85 -12.233 8.355 12.005 1.00 0.00 C ATOM 1241 CD2 LEU A 85 -12.834 5.976 11.522 1.00 0.00 C ATOM 0 H LEU A 85 -9.366 9.365 11.164 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.840 6.496 11.648 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.028 7.626 9.875 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.700 5.934 10.193 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.183 6.636 12.701 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.947 8.350 12.828 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.409 9.027 12.244 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.729 8.697 11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.540 6.004 12.352 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.344 6.259 10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.434 4.967 11.420 1.00 0.00 H new ATOM 1253 N PRO A 86 -7.397 6.458 9.645 1.00 0.00 N ATOM 1254 CA PRO A 86 -6.495 6.400 8.491 1.00 0.00 C ATOM 1255 C PRO A 86 -7.194 5.901 7.232 1.00 0.00 C ATOM 1256 O PRO A 86 -8.210 5.209 7.308 1.00 0.00 O ATOM 1257 CB PRO A 86 -5.417 5.407 8.934 1.00 0.00 C ATOM 1258 CG PRO A 86 -6.088 4.549 9.950 1.00 0.00 C ATOM 1259 CD PRO A 86 -7.076 5.436 10.655 1.00 0.00 C ATOM 0 HA PRO A 86 -6.106 7.384 8.228 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.054 4.815 8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.555 5.922 9.358 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.590 3.705 9.477 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.363 4.137 10.652 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.963 4.883 10.964 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -6.648 5.880 11.554 1.00 0.00 H new ATOM 1267 N ILE A 87 -6.645 6.256 6.075 1.00 0.00 N ATOM 1268 CA ILE A 87 -7.217 5.842 4.800 1.00 0.00 C ATOM 1269 C ILE A 87 -6.728 4.453 4.403 1.00 0.00 C ATOM 1270 O ILE A 87 -5.551 4.128 4.562 1.00 0.00 O ATOM 1271 CB ILE A 87 -6.868 6.837 3.677 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -7.457 8.215 3.986 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -7.378 6.325 2.338 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -7.219 9.232 2.892 1.00 0.00 C ATOM 0 H ILE A 87 -5.805 6.829 5.995 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.299 5.820 4.932 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.784 6.931 3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.530 8.114 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.026 8.586 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.124 7.039 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.916 5.363 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.461 6.206 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.663 10.185 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.147 9.362 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.675 8.883 1.965 1.00 0.00 H new ATOM 1286 N THR A 88 -7.640 3.637 3.884 1.00 0.00 N ATOM 1287 CA THR A 88 -7.302 2.283 3.464 1.00 0.00 C ATOM 1288 C THR A 88 -7.559 2.089 1.974 1.00 0.00 C ATOM 1289 O THR A 88 -8.536 2.605 1.432 1.00 0.00 O ATOM 1290 CB THR A 88 -8.107 1.232 4.252 1.00 0.00 C ATOM 1291 OG1 THR A 88 -9.510 1.444 4.059 1.00 0.00 O ATOM 1292 CG2 THR A 88 -7.778 1.301 5.736 1.00 0.00 C ATOM 0 H THR A 88 -8.618 3.890 3.745 1.00 0.00 H new ATOM 0 HA THR A 88 -6.240 2.145 3.668 1.00 0.00 H new ATOM 0 HB THR A 88 -7.835 0.244 3.881 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.651 2.292 3.588 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.358 0.550 6.273 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.715 1.111 5.882 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.025 2.292 6.118 1.00 0.00 H new ATOM 1300 N GLN A 89 -6.676 1.343 1.317 1.00 0.00 N ATOM 1301 CA GLN A 89 -6.809 1.083 -0.111 1.00 0.00 C ATOM 1302 C GLN A 89 -6.615 -0.399 -0.414 1.00 0.00 C ATOM 1303 O GLN A 89 -5.800 -1.072 0.219 1.00 0.00 O ATOM 1304 CB GLN A 89 -5.795 1.914 -0.899 1.00 0.00 C ATOM 1305 CG GLN A 89 -6.201 3.369 -1.068 1.00 0.00 C ATOM 1306 CD GLN A 89 -5.666 3.979 -2.348 1.00 0.00 C ATOM 1307 OE1 GLN A 89 -4.532 4.458 -2.395 1.00 0.00 O ATOM 1308 NE2 GLN A 89 -6.481 3.966 -3.397 1.00 0.00 N ATOM 0 H GLN A 89 -5.862 0.909 1.751 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.816 1.369 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.831 1.871 -0.393 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.658 1.467 -1.884 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.289 3.442 -1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.838 3.945 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.413 3.559 -3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.175 4.363 -4.285 1.00 0.00 H new ATOM 1317 N LEU A 90 -7.368 -0.903 -1.386 1.00 0.00 N ATOM 1318 CA LEU A 90 -7.279 -2.306 -1.773 1.00 0.00 C ATOM 1319 C LEU A 90 -6.521 -2.461 -3.088 1.00 0.00 C ATOM 1320 O LEU A 90 -6.681 -1.658 -4.007 1.00 0.00 O ATOM 1321 CB LEU A 90 -8.679 -2.909 -1.905 1.00 0.00 C ATOM 1322 CG LEU A 90 -8.775 -4.217 -2.690 1.00 0.00 C ATOM 1323 CD1 LEU A 90 -7.725 -5.207 -2.210 1.00 0.00 C ATOM 1324 CD2 LEU A 90 -10.170 -4.814 -2.564 1.00 0.00 C ATOM 0 H LEU A 90 -8.047 -0.361 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.732 -2.838 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.075 -3.079 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.326 -2.173 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.587 -4.001 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.809 -6.132 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.732 -4.782 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.881 -5.418 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.220 -5.745 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.386 -5.015 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.904 -4.111 -2.958 1.00 0.00 H new ATOM 1336 N PHE A 91 -5.697 -3.500 -3.170 1.00 0.00 N ATOM 1337 CA PHE A 91 -4.914 -3.762 -4.372 1.00 0.00 C ATOM 1338 C PHE A 91 -4.849 -5.258 -4.664 1.00 0.00 C ATOM 1339 O PHE A 91 -4.345 -6.038 -3.856 1.00 0.00 O ATOM 1340 CB PHE A 91 -3.500 -3.199 -4.219 1.00 0.00 C ATOM 1341 CG PHE A 91 -3.471 -1.764 -3.775 1.00 0.00 C ATOM 1342 CD1 PHE A 91 -3.795 -1.421 -2.472 1.00 0.00 C ATOM 1343 CD2 PHE A 91 -3.119 -0.758 -4.661 1.00 0.00 C ATOM 1344 CE1 PHE A 91 -3.770 -0.102 -2.061 1.00 0.00 C ATOM 1345 CE2 PHE A 91 -3.092 0.563 -4.256 1.00 0.00 C ATOM 1346 CZ PHE A 91 -3.417 0.891 -2.954 1.00 0.00 C ATOM 0 H PHE A 91 -5.554 -4.174 -2.418 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.406 -3.267 -5.210 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.952 -3.805 -3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.977 -3.287 -5.172 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.070 -2.194 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.863 -1.009 -5.680 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.026 0.152 -1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.817 1.338 -4.956 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.395 1.922 -2.635 1.00 0.00 H new ATOM 1356 N ARG A 92 -5.363 -5.652 -5.825 1.00 0.00 N ATOM 1357 CA ARG A 92 -5.365 -7.054 -6.223 1.00 0.00 C ATOM 1358 C ARG A 92 -4.141 -7.379 -7.074 1.00 0.00 C ATOM 1359 O ARG A 92 -3.878 -6.717 -8.078 1.00 0.00 O ATOM 1360 CB ARG A 92 -6.642 -7.384 -6.999 1.00 0.00 C ATOM 1361 CG ARG A 92 -7.810 -7.778 -6.111 1.00 0.00 C ATOM 1362 CD ARG A 92 -8.968 -8.332 -6.927 1.00 0.00 C ATOM 1363 NE ARG A 92 -9.853 -9.170 -6.121 1.00 0.00 N ATOM 1364 CZ ARG A 92 -11.049 -9.580 -6.530 1.00 0.00 C ATOM 1365 NH1 ARG A 92 -11.499 -9.233 -7.727 1.00 0.00 N ATOM 1366 NH2 ARG A 92 -11.796 -10.340 -5.740 1.00 0.00 N ATOM 0 H ARG A 92 -5.783 -5.020 -6.506 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.330 -7.663 -5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.927 -6.519 -7.597 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.435 -8.198 -7.694 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.483 -8.525 -5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.146 -6.910 -5.543 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.539 -7.507 -7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -8.578 -8.914 -7.762 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.536 -9.456 -5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.927 -8.650 -8.337 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.417 -9.549 -8.038 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.452 -10.610 -4.818 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.714 -10.655 -6.054 1.00 0.00 H new ATOM 1380 N ILE A 93 -3.398 -8.402 -6.665 1.00 0.00 N ATOM 1381 CA ILE A 93 -2.203 -8.815 -7.390 1.00 0.00 C ATOM 1382 C ILE A 93 -2.238 -10.306 -7.704 1.00 0.00 C ATOM 1383 O ILE A 93 -2.707 -11.111 -6.898 1.00 0.00 O ATOM 1384 CB ILE A 93 -0.923 -8.499 -6.593 1.00 0.00 C ATOM 1385 CG1 ILE A 93 -0.698 -6.988 -6.525 1.00 0.00 C ATOM 1386 CG2 ILE A 93 0.277 -9.192 -7.221 1.00 0.00 C ATOM 1387 CD1 ILE A 93 0.062 -6.544 -5.294 1.00 0.00 C ATOM 0 H ILE A 93 -3.603 -8.960 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.189 -8.250 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 93 -1.044 -8.875 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.152 -6.670 -7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.664 -6.484 -6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.174 -8.959 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.116 -10.270 -7.221 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.403 -8.844 -8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.185 -5.461 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.493 -6.831 -4.401 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.043 -7.020 -5.280 1.00 0.00 H new ATOM 1399 N LEU A 94 -1.738 -10.670 -8.880 1.00 0.00 N ATOM 1400 CA LEU A 94 -1.710 -12.066 -9.300 1.00 0.00 C ATOM 1401 C LEU A 94 -0.285 -12.611 -9.287 1.00 0.00 C ATOM 1402 O LEU A 94 0.611 -12.046 -9.914 1.00 0.00 O ATOM 1403 CB LEU A 94 -2.310 -12.210 -10.700 1.00 0.00 C ATOM 1404 CG LEU A 94 -3.817 -12.458 -10.762 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -4.150 -13.852 -10.253 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -4.565 -11.403 -9.959 1.00 0.00 C ATOM 0 H LEU A 94 -1.347 -10.017 -9.559 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.307 -12.644 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.088 -11.304 -11.264 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.806 -13.033 -11.207 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.135 -12.387 -11.802 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.227 -14.010 -10.305 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.644 -14.595 -10.869 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.818 -13.951 -9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.636 -11.595 -10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.243 -11.442 -8.918 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.352 -10.415 -10.368 1.00 0.00 H new ATOM 1418 N ASN A 95 -0.084 -13.712 -8.571 1.00 0.00 N ATOM 1419 CA ASN A 95 1.232 -14.334 -8.478 1.00 0.00 C ATOM 1420 C ASN A 95 1.164 -15.810 -8.857 1.00 0.00 C ATOM 1421 O ASN A 95 1.732 -16.675 -8.189 1.00 0.00 O ATOM 1422 CB ASN A 95 1.791 -14.185 -7.062 1.00 0.00 C ATOM 1423 CG ASN A 95 3.126 -14.882 -6.891 1.00 0.00 C ATOM 1424 OD1 ASN A 95 3.221 -15.910 -6.219 1.00 0.00 O ATOM 1425 ND2 ASN A 95 4.167 -14.325 -7.499 1.00 0.00 N ATOM 0 H ASN A 95 -0.815 -14.192 -8.047 1.00 0.00 H new ATOM 0 HA ASN A 95 1.896 -13.827 -9.178 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.905 -13.126 -6.829 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.077 -14.594 -6.347 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.091 -14.749 -7.419 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.042 -13.473 -8.046 1.00 0.00 H new ATOM 1432 N PRO A 96 0.453 -16.107 -9.955 1.00 0.00 N ATOM 1433 CA PRO A 96 0.295 -17.479 -10.449 1.00 0.00 C ATOM 1434 C PRO A 96 1.592 -18.044 -11.016 1.00 0.00 C ATOM 1435 O PRO A 96 1.770 -19.259 -11.092 1.00 0.00 O ATOM 1436 CB PRO A 96 -0.756 -17.339 -11.553 1.00 0.00 C ATOM 1437 CG PRO A 96 -0.636 -15.927 -12.013 1.00 0.00 C ATOM 1438 CD PRO A 96 -0.250 -15.127 -10.800 1.00 0.00 C ATOM 0 HA PRO A 96 0.009 -18.168 -9.654 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.570 -18.038 -12.368 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.757 -17.549 -11.176 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.116 -15.835 -12.797 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.578 -15.572 -12.431 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.393 -14.287 -11.061 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.124 -14.715 -10.295 1.00 0.00 H new ATOM 1446 N ASN A 97 2.496 -17.154 -11.414 1.00 0.00 N ATOM 1447 CA ASN A 97 3.778 -17.565 -11.975 1.00 0.00 C ATOM 1448 C ASN A 97 4.744 -17.988 -10.872 1.00 0.00 C ATOM 1449 O ASN A 97 5.909 -18.288 -11.133 1.00 0.00 O ATOM 1450 CB ASN A 97 4.389 -16.427 -12.794 1.00 0.00 C ATOM 1451 CG ASN A 97 3.823 -16.358 -14.200 1.00 0.00 C ATOM 1452 OD1 ASN A 97 4.413 -16.882 -15.145 1.00 0.00 O ATOM 1453 ND2 ASN A 97 2.673 -15.709 -14.344 1.00 0.00 N ATOM 0 H ASN A 97 2.364 -16.144 -11.358 1.00 0.00 H new ATOM 0 HA ASN A 97 3.603 -18.420 -12.628 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.209 -15.480 -12.286 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.470 -16.560 -12.846 1.00 0.00 H new ATOM 0 HD21 ASN A 97 2.244 -15.630 -15.266 1.00 0.00 H new ATOM 0 HD22 ASN A 97 2.219 -15.290 -13.533 1.00 0.00 H new ATOM 1460 N LYS A 98 4.252 -18.010 -9.638 1.00 0.00 N ATOM 1461 CA LYS A 98 5.069 -18.397 -8.495 1.00 0.00 C ATOM 1462 C LYS A 98 6.376 -17.611 -8.469 1.00 0.00 C ATOM 1463 O LYS A 98 7.390 -18.092 -7.964 1.00 0.00 O ATOM 1464 CB LYS A 98 5.365 -19.898 -8.538 1.00 0.00 C ATOM 1465 CG LYS A 98 4.131 -20.766 -8.359 1.00 0.00 C ATOM 1466 CD LYS A 98 4.488 -22.243 -8.331 1.00 0.00 C ATOM 1467 CE LYS A 98 4.673 -22.799 -9.734 1.00 0.00 C ATOM 1468 NZ LYS A 98 5.010 -24.249 -9.716 1.00 0.00 N ATOM 0 H LYS A 98 3.290 -17.764 -9.404 1.00 0.00 H new ATOM 0 HA LYS A 98 4.510 -18.169 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.834 -20.140 -9.492 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.086 -20.140 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.626 -20.495 -7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.430 -20.575 -9.172 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.404 -22.386 -7.758 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.702 -22.799 -7.819 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.760 -22.646 -10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 98 5.465 -22.248 -10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.128 -24.590 -10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.895 -24.393 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.243 -24.778 -9.255 1.00 0.00 H new ATOM 1482 N ALA A 99 6.344 -16.401 -9.016 1.00 0.00 N ATOM 1483 CA ALA A 99 7.526 -15.547 -9.052 1.00 0.00 C ATOM 1484 C ALA A 99 7.449 -14.459 -7.987 1.00 0.00 C ATOM 1485 O ALA A 99 6.721 -13.475 -8.121 1.00 0.00 O ATOM 1486 CB ALA A 99 7.687 -14.928 -10.432 1.00 0.00 C ATOM 0 H ALA A 99 5.513 -15.989 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 99 8.398 -16.165 -8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.573 -14.293 -10.445 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.796 -15.718 -11.175 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.807 -14.328 -10.667 1.00 0.00 H new ATOM 1492 N PRO A 100 8.218 -14.637 -6.902 1.00 0.00 N ATOM 1493 CA PRO A 100 8.255 -13.679 -5.792 1.00 0.00 C ATOM 1494 C PRO A 100 8.933 -12.370 -6.179 1.00 0.00 C ATOM 1495 O PRO A 100 10.160 -12.266 -6.164 1.00 0.00 O ATOM 1496 CB PRO A 100 9.070 -14.408 -4.722 1.00 0.00 C ATOM 1497 CG PRO A 100 9.923 -15.365 -5.481 1.00 0.00 C ATOM 1498 CD PRO A 100 9.111 -15.786 -6.675 1.00 0.00 C ATOM 0 HA PRO A 100 7.255 -13.395 -5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.676 -13.711 -4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.422 -14.929 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.857 -14.895 -5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.187 -16.225 -4.866 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.742 -15.982 -7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.549 -16.699 -6.477 1.00 0.00 H new ATOM 1506 N LEU A 101 8.128 -11.371 -6.525 1.00 0.00 N ATOM 1507 CA LEU A 101 8.651 -10.066 -6.915 1.00 0.00 C ATOM 1508 C LEU A 101 8.436 -9.040 -5.807 1.00 0.00 C ATOM 1509 O LEU A 101 7.949 -9.372 -4.726 1.00 0.00 O ATOM 1510 CB LEU A 101 7.978 -9.590 -8.204 1.00 0.00 C ATOM 1511 CG LEU A 101 8.652 -10.016 -9.509 1.00 0.00 C ATOM 1512 CD1 LEU A 101 10.065 -9.460 -9.586 1.00 0.00 C ATOM 1513 CD2 LEU A 101 8.667 -11.533 -9.631 1.00 0.00 C ATOM 0 H LEU A 101 7.110 -11.440 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 101 9.722 -10.168 -7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.952 -9.957 -8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.927 -8.501 -8.183 1.00 0.00 H new ATOM 0 HG LEU A 101 8.078 -9.610 -10.342 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.529 -9.773 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.030 -8.371 -9.545 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.650 -9.836 -8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.150 -11.818 -10.565 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.218 -11.960 -8.793 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.644 -11.909 -9.622 1.00 0.00 H new ATOM 1525 N ARG A 102 8.800 -7.792 -6.085 1.00 0.00 N ATOM 1526 CA ARG A 102 8.646 -6.717 -5.112 1.00 0.00 C ATOM 1527 C ARG A 102 7.497 -5.792 -5.501 1.00 0.00 C ATOM 1528 O ARG A 102 6.895 -5.946 -6.565 1.00 0.00 O ATOM 1529 CB ARG A 102 9.944 -5.915 -4.997 1.00 0.00 C ATOM 1530 CG ARG A 102 10.499 -5.461 -6.337 1.00 0.00 C ATOM 1531 CD ARG A 102 11.852 -4.785 -6.178 1.00 0.00 C ATOM 1532 NE ARG A 102 12.955 -5.739 -6.265 1.00 0.00 N ATOM 1533 CZ ARG A 102 13.450 -6.186 -7.413 1.00 0.00 C ATOM 1534 NH1 ARG A 102 12.945 -5.767 -8.565 1.00 0.00 N ATOM 1535 NH2 ARG A 102 14.454 -7.054 -7.411 1.00 0.00 N ATOM 0 H ARG A 102 9.203 -7.501 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 102 8.417 -7.166 -4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.767 -5.040 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.693 -6.523 -4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 102 10.596 -6.319 -7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.799 -4.771 -6.807 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.970 -4.024 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 102 11.891 -4.273 -5.216 1.00 0.00 H new ATOM 0 HE ARG A 102 13.367 -6.080 -5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 102 12.174 -5.099 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.328 -6.112 -9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 102 14.846 -7.378 -6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 102 14.834 -7.397 -8.294 1.00 0.00 H new ATOM 1549 N LEU A 103 7.196 -4.833 -4.633 1.00 0.00 N ATOM 1550 CA LEU A 103 6.119 -3.882 -4.885 1.00 0.00 C ATOM 1551 C LEU A 103 6.583 -2.452 -4.632 1.00 0.00 C ATOM 1552 O LEU A 103 7.173 -2.154 -3.593 1.00 0.00 O ATOM 1553 CB LEU A 103 4.912 -4.203 -4.001 1.00 0.00 C ATOM 1554 CG LEU A 103 3.847 -3.111 -3.897 1.00 0.00 C ATOM 1555 CD1 LEU A 103 2.919 -3.153 -5.101 1.00 0.00 C ATOM 1556 CD2 LEU A 103 3.056 -3.259 -2.605 1.00 0.00 C ATOM 0 H LEU A 103 7.683 -4.693 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 103 5.829 -3.969 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.439 -5.109 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.272 -4.428 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 103 4.347 -2.143 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.168 -2.369 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.497 -2.997 -6.012 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.426 -4.124 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.302 -2.473 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.567 -4.233 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.731 -3.177 -1.753 1.00 0.00 H new ATOM 1568 N LYS A 104 6.313 -1.569 -5.587 1.00 0.00 N ATOM 1569 CA LYS A 104 6.699 -0.168 -5.467 1.00 0.00 C ATOM 1570 C LYS A 104 5.538 0.674 -4.949 1.00 0.00 C ATOM 1571 O LYS A 104 4.408 0.548 -5.421 1.00 0.00 O ATOM 1572 CB LYS A 104 7.169 0.370 -6.821 1.00 0.00 C ATOM 1573 CG LYS A 104 7.847 1.727 -6.733 1.00 0.00 C ATOM 1574 CD LYS A 104 8.227 2.249 -8.109 1.00 0.00 C ATOM 1575 CE LYS A 104 7.104 3.069 -8.724 1.00 0.00 C ATOM 1576 NZ LYS A 104 7.485 3.624 -10.052 1.00 0.00 N ATOM 0 H LYS A 104 5.828 -1.799 -6.454 1.00 0.00 H new ATOM 0 HA LYS A 104 7.519 -0.103 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.861 -0.345 -7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.312 0.444 -7.491 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.180 2.437 -6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.740 1.649 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.126 2.861 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.468 1.411 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.216 2.446 -8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.840 3.885 -8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.693 4.176 -10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.317 4.239 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.712 2.844 -10.702 1.00 0.00 H new ATOM 1590 N LEU A 105 5.825 1.533 -3.977 1.00 0.00 N ATOM 1591 CA LEU A 105 4.804 2.398 -3.395 1.00 0.00 C ATOM 1592 C LEU A 105 5.228 3.862 -3.463 1.00 0.00 C ATOM 1593 O LEU A 105 6.354 4.210 -3.109 1.00 0.00 O ATOM 1594 CB LEU A 105 4.538 2.000 -1.942 1.00 0.00 C ATOM 1595 CG LEU A 105 3.742 0.710 -1.735 1.00 0.00 C ATOM 1596 CD1 LEU A 105 3.659 0.366 -0.256 1.00 0.00 C ATOM 1597 CD2 LEU A 105 2.349 0.841 -2.333 1.00 0.00 C ATOM 0 H LEU A 105 6.755 1.649 -3.575 1.00 0.00 H new ATOM 0 HA LEU A 105 3.888 2.276 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.496 1.898 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.004 2.815 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 105 4.261 -0.101 -2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.089 -0.554 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.664 0.229 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.164 1.177 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.797 -0.086 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.821 1.663 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.429 1.039 -3.402 1.00 0.00 H new ATOM 1609 N ARG A 106 4.317 4.715 -3.919 1.00 0.00 N ATOM 1610 CA ARG A 106 4.595 6.142 -4.033 1.00 0.00 C ATOM 1611 C ARG A 106 3.592 6.958 -3.224 1.00 0.00 C ATOM 1612 O ARG A 106 2.388 6.701 -3.267 1.00 0.00 O ATOM 1613 CB ARG A 106 4.557 6.575 -5.499 1.00 0.00 C ATOM 1614 CG ARG A 106 4.295 8.061 -5.689 1.00 0.00 C ATOM 1615 CD ARG A 106 4.926 8.578 -6.972 1.00 0.00 C ATOM 1616 NE ARG A 106 4.610 9.984 -7.209 1.00 0.00 N ATOM 1617 CZ ARG A 106 4.832 10.603 -8.363 1.00 0.00 C ATOM 1618 NH1 ARG A 106 5.368 9.943 -9.380 1.00 0.00 N ATOM 1619 NH2 ARG A 106 4.517 11.885 -8.501 1.00 0.00 N ATOM 0 H ARG A 106 3.380 4.443 -4.216 1.00 0.00 H new ATOM 0 HA ARG A 106 5.592 6.325 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.506 6.319 -5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.782 6.009 -6.016 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.220 8.242 -5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.693 8.614 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 106 6.008 8.453 -6.920 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.576 7.981 -7.814 1.00 0.00 H new ATOM 0 HE ARG A 106 4.196 10.520 -6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.611 8.958 -9.277 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.538 10.420 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 106 4.104 12.396 -7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 106 4.688 12.360 -9.388 1.00 0.00 H new ATOM 1633 N LEU A 107 4.095 7.942 -2.486 1.00 0.00 N ATOM 1634 CA LEU A 107 3.243 8.796 -1.666 1.00 0.00 C ATOM 1635 C LEU A 107 3.333 10.250 -2.119 1.00 0.00 C ATOM 1636 O LEU A 107 4.403 10.731 -2.492 1.00 0.00 O ATOM 1637 CB LEU A 107 3.640 8.683 -0.193 1.00 0.00 C ATOM 1638 CG LEU A 107 3.609 7.276 0.405 1.00 0.00 C ATOM 1639 CD1 LEU A 107 4.000 7.311 1.874 1.00 0.00 C ATOM 1640 CD2 LEU A 107 2.230 6.654 0.233 1.00 0.00 C ATOM 0 H LEU A 107 5.089 8.168 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 107 2.213 8.461 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.647 9.083 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.975 9.319 0.391 1.00 0.00 H new ATOM 0 HG LEU A 107 4.333 6.660 -0.128 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.972 6.301 2.282 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.008 7.715 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.301 7.943 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.226 5.653 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.487 7.270 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.988 6.593 -0.828 1.00 0.00 H new ATOM 1652 N THR A 108 2.201 10.947 -2.081 1.00 0.00 N ATOM 1653 CA THR A 108 2.152 12.346 -2.486 1.00 0.00 C ATOM 1654 C THR A 108 0.940 13.049 -1.886 1.00 0.00 C ATOM 1655 O THR A 108 -0.199 12.781 -2.270 1.00 0.00 O ATOM 1656 CB THR A 108 2.105 12.486 -4.019 1.00 0.00 C ATOM 1657 OG1 THR A 108 1.011 11.727 -4.547 1.00 0.00 O ATOM 1658 CG2 THR A 108 3.408 12.011 -4.646 1.00 0.00 C ATOM 0 H THR A 108 1.306 10.565 -1.774 1.00 0.00 H new ATOM 0 HA THR A 108 3.063 12.815 -2.114 1.00 0.00 H new ATOM 0 HB THR A 108 1.966 13.540 -4.262 1.00 0.00 H new ATOM 0 HG1 THR A 108 0.223 11.848 -3.977 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.351 12.119 -5.729 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.235 12.610 -4.264 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.572 10.963 -4.394 1.00 0.00 H new ATOM 1666 N TYR A 109 1.191 13.951 -0.943 1.00 0.00 N ATOM 1667 CA TYR A 109 0.120 14.692 -0.289 1.00 0.00 C ATOM 1668 C TYR A 109 0.639 16.006 0.287 1.00 0.00 C ATOM 1669 O TYR A 109 1.841 16.270 0.274 1.00 0.00 O ATOM 1670 CB TYR A 109 -0.508 13.848 0.822 1.00 0.00 C ATOM 1671 CG TYR A 109 0.482 13.394 1.870 1.00 0.00 C ATOM 1672 CD1 TYR A 109 0.784 14.196 2.963 1.00 0.00 C ATOM 1673 CD2 TYR A 109 1.115 12.161 1.768 1.00 0.00 C ATOM 1674 CE1 TYR A 109 1.689 13.785 3.923 1.00 0.00 C ATOM 1675 CE2 TYR A 109 2.020 11.741 2.723 1.00 0.00 C ATOM 1676 CZ TYR A 109 2.304 12.556 3.799 1.00 0.00 C ATOM 1677 OH TYR A 109 3.205 12.143 4.753 1.00 0.00 O ATOM 0 H TYR A 109 2.128 14.186 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.639 14.919 -1.037 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.296 14.426 1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.982 12.972 0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 109 0.303 15.158 3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 109 0.895 11.520 0.927 1.00 0.00 H new ATOM 0 HE1 TYR A 109 1.914 14.422 4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.503 10.780 2.628 1.00 0.00 H new ATOM 0 HH TYR A 109 3.546 11.255 4.518 1.00 0.00 H new ATOM 1687 N ASP A 110 -0.276 16.825 0.792 1.00 0.00 N ATOM 1688 CA ASP A 110 0.087 18.112 1.375 1.00 0.00 C ATOM 1689 C ASP A 110 0.078 18.040 2.899 1.00 0.00 C ATOM 1690 O ASP A 110 -0.881 17.556 3.502 1.00 0.00 O ATOM 1691 CB ASP A 110 -0.873 19.202 0.897 1.00 0.00 C ATOM 1692 CG ASP A 110 -0.222 20.571 0.860 1.00 0.00 C ATOM 1693 OD1 ASP A 110 -0.032 21.167 1.941 1.00 0.00 O ATOM 1694 OD2 ASP A 110 0.096 21.047 -0.250 1.00 0.00 O ATOM 0 H ASP A 110 -1.275 16.621 0.810 1.00 0.00 H new ATOM 0 HA ASP A 110 1.097 18.360 1.047 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.238 18.949 -0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -1.740 19.233 1.556 1.00 0.00 H new ATOM 1699 N HIS A 111 1.151 18.523 3.516 1.00 0.00 N ATOM 1700 CA HIS A 111 1.267 18.513 4.970 1.00 0.00 C ATOM 1701 C HIS A 111 1.835 19.834 5.479 1.00 0.00 C ATOM 1702 O HIS A 111 2.784 20.374 4.909 1.00 0.00 O ATOM 1703 CB HIS A 111 2.154 17.354 5.425 1.00 0.00 C ATOM 1704 CG HIS A 111 1.856 16.881 6.814 1.00 0.00 C ATOM 1705 ND1 HIS A 111 2.673 16.010 7.504 1.00 0.00 N ATOM 1706 CD2 HIS A 111 0.825 17.165 7.644 1.00 0.00 C ATOM 1707 CE1 HIS A 111 2.156 15.776 8.697 1.00 0.00 C ATOM 1708 NE2 HIS A 111 1.035 16.466 8.808 1.00 0.00 N ATOM 0 H HIS A 111 1.953 18.926 3.032 1.00 0.00 H new ATOM 0 HA HIS A 111 0.269 18.382 5.388 1.00 0.00 H new ATOM 0 HB2 HIS A 111 2.033 16.521 4.733 1.00 0.00 H new ATOM 0 HB3 HIS A 111 3.198 17.663 5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.008 17.819 7.431 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.578 15.130 9.453 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.425 16.478 9.625 1.00 0.00 H new ATOM 1716 N PHE A 112 1.249 20.350 6.554 1.00 0.00 N ATOM 1717 CA PHE A 112 1.696 21.609 7.139 1.00 0.00 C ATOM 1718 C PHE A 112 1.938 22.656 6.056 1.00 0.00 C ATOM 1719 O PHE A 112 2.864 23.463 6.151 1.00 0.00 O ATOM 1720 CB PHE A 112 2.976 21.393 7.950 1.00 0.00 C ATOM 1721 CG PHE A 112 2.739 20.743 9.282 1.00 0.00 C ATOM 1722 CD1 PHE A 112 2.432 19.394 9.365 1.00 0.00 C ATOM 1723 CD2 PHE A 112 2.823 21.479 10.453 1.00 0.00 C ATOM 1724 CE1 PHE A 112 2.214 18.792 10.589 1.00 0.00 C ATOM 1725 CE2 PHE A 112 2.606 20.883 11.680 1.00 0.00 C ATOM 1726 CZ PHE A 112 2.299 19.538 11.749 1.00 0.00 C ATOM 0 H PHE A 112 0.463 19.916 7.038 1.00 0.00 H new ATOM 0 HA PHE A 112 0.911 21.972 7.802 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.664 20.776 7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.464 22.355 8.106 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.362 18.806 8.462 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.061 22.531 10.406 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.977 17.739 10.639 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.676 21.468 12.585 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.126 19.071 12.707 1.00 0.00 H new ATOM 1736 N HIS A 113 1.098 22.638 5.025 1.00 0.00 N ATOM 1737 CA HIS A 113 1.219 23.585 3.923 1.00 0.00 C ATOM 1738 C HIS A 113 2.524 23.370 3.163 1.00 0.00 C ATOM 1739 O HIS A 113 3.211 24.328 2.808 1.00 0.00 O ATOM 1740 CB HIS A 113 1.151 25.020 4.446 1.00 0.00 C ATOM 1741 CG HIS A 113 -0.069 25.300 5.269 1.00 0.00 C ATOM 1742 ND1 HIS A 113 -1.349 25.254 4.758 1.00 0.00 N ATOM 1743 CD2 HIS A 113 -0.199 25.629 6.576 1.00 0.00 C ATOM 1744 CE1 HIS A 113 -2.213 25.544 5.713 1.00 0.00 C ATOM 1745 NE2 HIS A 113 -1.541 25.775 6.827 1.00 0.00 N ATOM 0 H HIS A 113 0.326 21.978 4.930 1.00 0.00 H new ATOM 0 HA HIS A 113 0.388 23.416 3.238 1.00 0.00 H new ATOM 0 HB2 HIS A 113 2.038 25.222 5.046 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.175 25.708 3.601 1.00 0.00 H new ATOM 0 HD2 HIS A 113 0.603 25.753 7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -3.287 25.585 5.603 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -1.952 26.022 7.727 1.00 0.00 H new ATOM 1753 N GLN A 114 2.860 22.108 2.917 1.00 0.00 N ATOM 1754 CA GLN A 114 4.083 21.768 2.201 1.00 0.00 C ATOM 1755 C GLN A 114 3.905 20.485 1.396 1.00 0.00 C ATOM 1756 O GLN A 114 3.234 19.552 1.838 1.00 0.00 O ATOM 1757 CB GLN A 114 5.247 21.612 3.181 1.00 0.00 C ATOM 1758 CG GLN A 114 5.902 22.930 3.563 1.00 0.00 C ATOM 1759 CD GLN A 114 6.857 23.436 2.500 1.00 0.00 C ATOM 1760 OE1 GLN A 114 6.435 23.985 1.481 1.00 0.00 O ATOM 1761 NE2 GLN A 114 8.152 23.255 2.731 1.00 0.00 N ATOM 0 H GLN A 114 2.302 21.304 3.203 1.00 0.00 H new ATOM 0 HA GLN A 114 4.306 22.581 1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.887 21.120 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.998 20.957 2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.129 23.678 3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.442 22.805 4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 114 8.458 22.795 3.589 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.841 23.576 2.051 1.00 0.00 H new ATOM 1770 N SER A 115 4.509 20.445 0.213 1.00 0.00 N ATOM 1771 CA SER A 115 4.414 19.278 -0.655 1.00 0.00 C ATOM 1772 C SER A 115 5.228 18.115 -0.095 1.00 0.00 C ATOM 1773 O SER A 115 6.425 18.246 0.158 1.00 0.00 O ATOM 1774 CB SER A 115 4.899 19.622 -2.065 1.00 0.00 C ATOM 1775 OG SER A 115 4.038 20.561 -2.685 1.00 0.00 O ATOM 0 H SER A 115 5.070 21.208 -0.166 1.00 0.00 H new ATOM 0 HA SER A 115 3.367 18.977 -0.702 1.00 0.00 H new ATOM 0 HB2 SER A 115 5.910 20.027 -2.017 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.948 18.715 -2.668 1.00 0.00 H new ATOM 0 HG SER A 115 4.370 20.766 -3.584 1.00 0.00 H new ATOM 1781 N VAL A 116 4.568 16.977 0.097 1.00 0.00 N ATOM 1782 CA VAL A 116 5.229 15.791 0.627 1.00 0.00 C ATOM 1783 C VAL A 116 5.206 14.651 -0.385 1.00 0.00 C ATOM 1784 O VAL A 116 4.171 14.020 -0.599 1.00 0.00 O ATOM 1785 CB VAL A 116 4.568 15.316 1.934 1.00 0.00 C ATOM 1786 CG1 VAL A 116 5.204 14.021 2.415 1.00 0.00 C ATOM 1787 CG2 VAL A 116 4.663 16.395 3.001 1.00 0.00 C ATOM 0 H VAL A 116 3.576 16.852 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 116 6.262 16.070 0.833 1.00 0.00 H new ATOM 0 HB VAL A 116 3.513 15.123 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.724 13.701 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.078 13.250 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.267 14.183 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.191 16.042 3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.711 16.622 3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.155 17.295 2.654 1.00 0.00 H new ATOM 1797 N GLN A 117 6.353 14.392 -1.004 1.00 0.00 N ATOM 1798 CA GLN A 117 6.463 13.327 -1.995 1.00 0.00 C ATOM 1799 C GLN A 117 7.608 12.380 -1.650 1.00 0.00 C ATOM 1800 O GLN A 117 8.778 12.713 -1.835 1.00 0.00 O ATOM 1801 CB GLN A 117 6.678 13.919 -3.389 1.00 0.00 C ATOM 1802 CG GLN A 117 7.030 12.881 -4.442 1.00 0.00 C ATOM 1803 CD GLN A 117 6.936 13.427 -5.853 1.00 0.00 C ATOM 1804 OE1 GLN A 117 5.914 13.991 -6.246 1.00 0.00 O ATOM 1805 NE2 GLN A 117 8.004 13.262 -6.625 1.00 0.00 N ATOM 0 H GLN A 117 7.219 14.904 -0.837 1.00 0.00 H new ATOM 0 HA GLN A 117 5.532 12.761 -1.988 1.00 0.00 H new ATOM 0 HB2 GLN A 117 5.773 14.443 -3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.475 14.661 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.042 12.517 -4.264 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.361 12.026 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.830 12.789 -6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.998 13.609 -7.584 1.00 0.00 H new ATOM 1814 N GLU A 118 7.261 11.199 -1.147 1.00 0.00 N ATOM 1815 CA GLU A 118 8.261 10.205 -0.776 1.00 0.00 C ATOM 1816 C GLU A 118 8.038 8.900 -1.535 1.00 0.00 C ATOM 1817 O GLU A 118 6.945 8.333 -1.510 1.00 0.00 O ATOM 1818 CB GLU A 118 8.217 9.944 0.731 1.00 0.00 C ATOM 1819 CG GLU A 118 8.500 11.178 1.571 1.00 0.00 C ATOM 1820 CD GLU A 118 9.977 11.354 1.870 1.00 0.00 C ATOM 1821 OE1 GLU A 118 10.801 11.058 0.980 1.00 0.00 O ATOM 1822 OE2 GLU A 118 10.307 11.788 2.994 1.00 0.00 O ATOM 0 H GLU A 118 6.297 10.908 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 118 9.243 10.597 -1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.234 9.553 0.995 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.945 9.171 0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.131 12.061 1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 118 7.949 11.109 2.509 1.00 0.00 H new ATOM 1829 N ILE A 119 9.082 8.430 -2.210 1.00 0.00 N ATOM 1830 CA ILE A 119 9.002 7.192 -2.976 1.00 0.00 C ATOM 1831 C ILE A 119 9.968 6.145 -2.432 1.00 0.00 C ATOM 1832 O ILE A 119 11.185 6.295 -2.536 1.00 0.00 O ATOM 1833 CB ILE A 119 9.307 7.432 -4.466 1.00 0.00 C ATOM 1834 CG1 ILE A 119 8.259 8.361 -5.081 1.00 0.00 C ATOM 1835 CG2 ILE A 119 9.356 6.109 -5.216 1.00 0.00 C ATOM 1836 CD1 ILE A 119 8.772 9.151 -6.265 1.00 0.00 C ATOM 0 H ILE A 119 9.993 8.888 -2.242 1.00 0.00 H new ATOM 0 HA ILE A 119 7.980 6.825 -2.877 1.00 0.00 H new ATOM 0 HB ILE A 119 10.282 7.911 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.399 7.769 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.907 9.054 -4.317 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.573 6.295 -6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.137 5.478 -4.791 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.394 5.605 -5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.976 9.788 -6.650 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.613 9.770 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.098 8.465 -7.047 1.00 0.00 H new ATOM 1848 N PHE A 120 9.416 5.084 -1.853 1.00 0.00 N ATOM 1849 CA PHE A 120 10.229 4.010 -1.293 1.00 0.00 C ATOM 1850 C PHE A 120 9.828 2.661 -1.882 1.00 0.00 C ATOM 1851 O PHE A 120 8.681 2.463 -2.282 1.00 0.00 O ATOM 1852 CB PHE A 120 10.088 3.976 0.230 1.00 0.00 C ATOM 1853 CG PHE A 120 8.665 4.063 0.702 1.00 0.00 C ATOM 1854 CD1 PHE A 120 7.854 2.940 0.710 1.00 0.00 C ATOM 1855 CD2 PHE A 120 8.139 5.268 1.138 1.00 0.00 C ATOM 1856 CE1 PHE A 120 6.544 3.016 1.145 1.00 0.00 C ATOM 1857 CE2 PHE A 120 6.830 5.350 1.575 1.00 0.00 C ATOM 1858 CZ PHE A 120 6.031 4.223 1.577 1.00 0.00 C ATOM 0 H PHE A 120 8.410 4.945 -1.759 1.00 0.00 H new ATOM 0 HA PHE A 120 11.270 4.204 -1.550 1.00 0.00 H new ATOM 0 HB2 PHE A 120 10.532 3.055 0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.656 4.802 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 120 8.250 1.994 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.758 6.153 1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.923 2.133 1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.432 6.295 1.915 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.007 4.286 1.916 1.00 0.00 H new ATOM 1868 N GLU A 121 10.782 1.737 -1.933 1.00 0.00 N ATOM 1869 CA GLU A 121 10.529 0.407 -2.475 1.00 0.00 C ATOM 1870 C GLU A 121 10.605 -0.651 -1.378 1.00 0.00 C ATOM 1871 O GLU A 121 11.573 -0.705 -0.618 1.00 0.00 O ATOM 1872 CB GLU A 121 11.534 0.083 -3.582 1.00 0.00 C ATOM 1873 CG GLU A 121 11.107 0.573 -4.955 1.00 0.00 C ATOM 1874 CD GLU A 121 10.263 -0.442 -5.701 1.00 0.00 C ATOM 1875 OE1 GLU A 121 9.552 -1.226 -5.037 1.00 0.00 O ATOM 1876 OE2 GLU A 121 10.314 -0.453 -6.949 1.00 0.00 O ATOM 0 H GLU A 121 11.737 1.885 -1.606 1.00 0.00 H new ATOM 0 HA GLU A 121 9.523 0.399 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.496 0.529 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 121 11.683 -0.996 -3.621 1.00 0.00 H new ATOM 0 HG2 GLU A 121 10.543 1.499 -4.847 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.993 0.807 -5.545 1.00 0.00 H new ATOM 1883 N VAL A 122 9.578 -1.491 -1.301 1.00 0.00 N ATOM 1884 CA VAL A 122 9.527 -2.548 -0.298 1.00 0.00 C ATOM 1885 C VAL A 122 10.389 -3.737 -0.709 1.00 0.00 C ATOM 1886 O VAL A 122 10.151 -4.361 -1.741 1.00 0.00 O ATOM 1887 CB VAL A 122 8.084 -3.031 -0.063 1.00 0.00 C ATOM 1888 CG1 VAL A 122 8.020 -3.958 1.141 1.00 0.00 C ATOM 1889 CG2 VAL A 122 7.148 -1.845 0.117 1.00 0.00 C ATOM 0 H VAL A 122 8.769 -1.460 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 122 9.915 -2.124 0.628 1.00 0.00 H new ATOM 0 HB VAL A 122 7.760 -3.591 -0.940 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.992 -4.289 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.658 -4.824 0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.363 -3.426 2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.132 -2.205 0.282 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.468 -1.256 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 122 7.172 -1.224 -0.778 1.00 0.00 H new ATOM 1899 N ASN A 123 11.391 -4.044 0.108 1.00 0.00 N ATOM 1900 CA ASN A 123 12.289 -5.159 -0.170 1.00 0.00 C ATOM 1901 C ASN A 123 12.377 -6.099 1.028 1.00 0.00 C ATOM 1902 O ASN A 123 13.375 -6.794 1.213 1.00 0.00 O ATOM 1903 CB ASN A 123 13.684 -4.641 -0.529 1.00 0.00 C ATOM 1904 CG ASN A 123 14.112 -3.481 0.348 1.00 0.00 C ATOM 1905 OD1 ASN A 123 14.292 -2.360 -0.129 1.00 0.00 O ATOM 1906 ND2 ASN A 123 14.280 -3.745 1.639 1.00 0.00 N ATOM 0 H ASN A 123 11.602 -3.537 0.967 1.00 0.00 H new ATOM 0 HA ASN A 123 11.886 -5.715 -1.017 1.00 0.00 H new ATOM 0 HB2 ASN A 123 14.406 -5.452 -0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.695 -4.327 -1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 123 14.569 -3.004 2.278 1.00 0.00 H new ATOM 0 HD22 ASN A 123 14.120 -4.689 1.992 1.00 0.00 H new ATOM 1913 N ASN A 124 11.324 -6.115 1.839 1.00 0.00 N ATOM 1914 CA ASN A 124 11.282 -6.970 3.020 1.00 0.00 C ATOM 1915 C ASN A 124 10.042 -7.858 3.004 1.00 0.00 C ATOM 1916 O ASN A 124 9.741 -8.541 3.985 1.00 0.00 O ATOM 1917 CB ASN A 124 11.298 -6.119 4.292 1.00 0.00 C ATOM 1918 CG ASN A 124 12.277 -4.964 4.203 1.00 0.00 C ATOM 1919 OD1 ASN A 124 13.440 -5.149 3.846 1.00 0.00 O ATOM 1920 ND2 ASN A 124 11.808 -3.765 4.529 1.00 0.00 N ATOM 0 H ASN A 124 10.489 -5.546 1.700 1.00 0.00 H new ATOM 0 HA ASN A 124 12.165 -7.609 3.008 1.00 0.00 H new ATOM 0 HB2 ASN A 124 10.297 -5.730 4.478 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.559 -6.748 5.143 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.420 -2.950 4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.836 -3.659 4.819 1.00 0.00 H new ATOM 1927 N LEU A 125 9.327 -7.846 1.885 1.00 0.00 N ATOM 1928 CA LEU A 125 8.119 -8.651 1.741 1.00 0.00 C ATOM 1929 C LEU A 125 8.330 -10.055 2.298 1.00 0.00 C ATOM 1930 O LEU A 125 9.410 -10.637 2.188 1.00 0.00 O ATOM 1931 CB LEU A 125 7.709 -8.731 0.269 1.00 0.00 C ATOM 1932 CG LEU A 125 7.345 -7.405 -0.399 1.00 0.00 C ATOM 1933 CD1 LEU A 125 7.627 -7.464 -1.892 1.00 0.00 C ATOM 1934 CD2 LEU A 125 5.884 -7.062 -0.144 1.00 0.00 C ATOM 0 H LEU A 125 9.562 -7.288 1.064 1.00 0.00 H new ATOM 0 HA LEU A 125 7.322 -8.171 2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.527 -9.185 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.855 -9.403 0.186 1.00 0.00 H new ATOM 0 HG LEU A 125 7.963 -6.620 0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.362 -6.511 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.686 -7.662 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.035 -8.261 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.643 -6.115 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.249 -7.849 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.712 -6.976 0.929 1.00 0.00 H new ATOM 1946 N PRO A 126 7.276 -10.615 2.910 1.00 0.00 N ATOM 1947 CA PRO A 126 7.320 -11.958 3.494 1.00 0.00 C ATOM 1948 C PRO A 126 7.407 -13.049 2.433 1.00 0.00 C ATOM 1949 O PRO A 126 7.297 -12.777 1.237 1.00 0.00 O ATOM 1950 CB PRO A 126 5.996 -12.058 4.256 1.00 0.00 C ATOM 1951 CG PRO A 126 5.087 -11.104 3.561 1.00 0.00 C ATOM 1952 CD PRO A 126 5.958 -9.978 3.077 1.00 0.00 C ATOM 0 HA PRO A 126 8.200 -12.100 4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 126 5.600 -13.073 4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 126 6.122 -11.792 5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.577 -11.588 2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.315 -10.737 4.238 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.591 -9.561 2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.995 -9.160 3.797 1.00 0.00 H new ATOM 1960 N VAL A 127 7.605 -14.287 2.877 1.00 0.00 N ATOM 1961 CA VAL A 127 7.706 -15.420 1.965 1.00 0.00 C ATOM 1962 C VAL A 127 6.414 -16.229 1.950 1.00 0.00 C ATOM 1963 O VAL A 127 6.070 -16.848 0.943 1.00 0.00 O ATOM 1964 CB VAL A 127 8.874 -16.347 2.349 1.00 0.00 C ATOM 1965 CG1 VAL A 127 10.205 -15.635 2.159 1.00 0.00 C ATOM 1966 CG2 VAL A 127 8.720 -16.834 3.781 1.00 0.00 C ATOM 0 H VAL A 127 7.699 -14.530 3.863 1.00 0.00 H new ATOM 0 HA VAL A 127 7.888 -15.011 0.971 1.00 0.00 H new ATOM 0 HB VAL A 127 8.857 -17.216 1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 127 11.019 -16.305 2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 127 10.315 -15.342 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 127 10.236 -14.747 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.554 -17.488 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.710 -15.979 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 127 7.785 -17.385 3.879 1.00 0.00 H new ATOM 1976 N GLU A 128 5.702 -16.218 3.072 1.00 0.00 N ATOM 1977 CA GLU A 128 4.447 -16.952 3.187 1.00 0.00 C ATOM 1978 C GLU A 128 3.565 -16.717 1.963 1.00 0.00 C ATOM 1979 O GLU A 128 2.714 -17.541 1.631 1.00 0.00 O ATOM 1980 CB GLU A 128 3.700 -16.534 4.455 1.00 0.00 C ATOM 1981 CG GLU A 128 4.143 -17.286 5.699 1.00 0.00 C ATOM 1982 CD GLU A 128 3.535 -16.723 6.969 1.00 0.00 C ATOM 1983 OE1 GLU A 128 3.181 -15.525 6.977 1.00 0.00 O ATOM 1984 OE2 GLU A 128 3.415 -17.480 7.954 1.00 0.00 O ATOM 0 H GLU A 128 5.972 -15.709 3.914 1.00 0.00 H new ATOM 0 HA GLU A 128 4.682 -18.015 3.246 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.844 -15.466 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 128 2.632 -16.692 4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.866 -18.336 5.602 1.00 0.00 H new ATOM 0 HG3 GLU A 128 5.230 -17.249 5.774 1.00 0.00 H new ATOM 1991 N SER A 129 3.776 -15.586 1.298 1.00 0.00 N ATOM 1992 CA SER A 129 2.999 -15.239 0.114 1.00 0.00 C ATOM 1993 C SER A 129 3.193 -16.278 -0.987 1.00 0.00 C ATOM 1994 O SER A 129 2.235 -16.691 -1.641 1.00 0.00 O ATOM 1995 CB SER A 129 3.401 -13.855 -0.399 1.00 0.00 C ATOM 1996 OG SER A 129 4.792 -13.794 -0.664 1.00 0.00 O ATOM 0 H SER A 129 4.479 -14.894 1.559 1.00 0.00 H new ATOM 0 HA SER A 129 1.946 -15.223 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 129 2.844 -13.624 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 129 3.135 -13.098 0.339 1.00 0.00 H new ATOM 0 HG SER A 129 5.024 -12.900 -0.992 1.00 0.00 H new ATOM 2002 N TRP A 130 4.438 -16.696 -1.184 1.00 0.00 N ATOM 2003 CA TRP A 130 4.758 -17.687 -2.205 1.00 0.00 C ATOM 2004 C TRP A 130 4.978 -19.061 -1.581 1.00 0.00 C ATOM 2005 O TRP A 130 4.372 -20.046 -2.001 1.00 0.00 O ATOM 2006 CB TRP A 130 6.004 -17.262 -2.984 1.00 0.00 C ATOM 2007 CG TRP A 130 7.235 -17.176 -2.134 1.00 0.00 C ATOM 2008 CD1 TRP A 130 7.741 -16.057 -1.535 1.00 0.00 C ATOM 2009 CD2 TRP A 130 8.116 -18.251 -1.789 1.00 0.00 C ATOM 2010 NE1 TRP A 130 8.884 -16.372 -0.839 1.00 0.00 N ATOM 2011 CE2 TRP A 130 9.134 -17.712 -0.979 1.00 0.00 C ATOM 2012 CE3 TRP A 130 8.143 -19.616 -2.085 1.00 0.00 C ATOM 2013 CZ2 TRP A 130 10.166 -18.492 -0.464 1.00 0.00 C ATOM 2014 CZ3 TRP A 130 9.168 -20.389 -1.573 1.00 0.00 C ATOM 2015 CH2 TRP A 130 10.168 -19.826 -0.769 1.00 0.00 C ATOM 0 H TRP A 130 5.242 -16.365 -0.651 1.00 0.00 H new ATOM 0 HA TRP A 130 3.913 -17.751 -2.891 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.178 -17.972 -3.792 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.822 -16.292 -3.446 1.00 0.00 H new ATOM 0 HD1 TRP A 130 7.307 -15.070 -1.599 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.453 -15.715 -0.305 1.00 0.00 H new ATOM 0 HE3 TRP A 130 7.376 -20.059 -2.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 10.938 -18.059 0.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 9.199 -21.445 -1.796 1.00 0.00 H new ATOM 0 HH2 TRP A 130 10.955 -20.457 -0.383 1.00 0.00 H new ATOM 2026 N GLN A 131 5.846 -19.117 -0.577 1.00 0.00 N ATOM 2027 CA GLN A 131 6.145 -20.372 0.104 1.00 0.00 C ATOM 2028 C GLN A 131 4.865 -21.048 0.586 1.00 0.00 C ATOM 2029 O GLN A 131 4.201 -20.562 1.502 1.00 0.00 O ATOM 2030 CB GLN A 131 7.081 -20.124 1.288 1.00 0.00 C ATOM 2031 CG GLN A 131 7.747 -21.386 1.812 1.00 0.00 C ATOM 2032 CD GLN A 131 8.991 -21.093 2.628 1.00 0.00 C ATOM 2033 OE1 GLN A 131 8.906 -20.676 3.783 1.00 0.00 O ATOM 2034 NE2 GLN A 131 10.156 -21.313 2.030 1.00 0.00 N ATOM 0 H GLN A 131 6.354 -18.309 -0.217 1.00 0.00 H new ATOM 0 HA GLN A 131 6.638 -21.034 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 131 7.852 -19.414 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 131 6.516 -19.659 2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 131 7.036 -21.939 2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.011 -22.029 0.972 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.180 -21.659 1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.027 -21.136 2.530 1.00 0.00 H new