USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 720 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 85 LYS NZ :NH3+ 158:sc= 0.292 (180deg=0) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= 0.279 USER MOD Set 2.1: A 49 TYR OH : rot 83:sc= 0.215 USER MOD Set 2.2: A 70 GLN : amide:sc= -0.514 K(o=-0.3,f=-1.5) USER MOD Single : A 12 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0164) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.67) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.372 USER MOD Single : A 29 ASN : amide:sc= -1.39! C(o=-1.4!,f=-5!) USER MOD Single : A 34 LYS NZ :NH3+ -144:sc= -0.0364 (180deg=-0.0573) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.0354 K(o=-0.035,f=-0.84) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 145:sc= -0.0807 (180deg=-1.43!) USER MOD Single : A 66 GLN : amide:sc= -0.0913 K(o=-0.091,f=-2!) USER MOD Single : A 68 HIS : no HD1:sc= -0.0785 X(o=-0.078,f=-0.078) USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= -0.0643 (180deg=-0.347) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -48:sc= 1.34 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -160:sc= -2.38! USER MOD Single : A 92 ASN : amide:sc= -0.64 K(o=-0.64,f=-0.062) USER MOD Single : A 100 ASN : amide:sc= -3.38 K(o=-3.4,f=-13!) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -20.477 2.467 8.130 1.00 0.00 N ATOM 119 CA VAL A 11 -20.193 2.368 6.703 1.00 0.00 C ATOM 120 C VAL A 11 -20.014 0.914 6.279 1.00 0.00 C ATOM 121 O VAL A 11 -19.957 0.014 7.116 1.00 0.00 O ATOM 122 CB VAL A 11 -18.928 3.161 6.326 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.069 4.619 6.736 1.00 0.00 C ATOM 124 CG2 VAL A 11 -17.697 2.535 6.965 1.00 0.00 C ATOM 0 HA VAL A 11 -21.049 2.794 6.179 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.806 3.124 5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.165 5.163 6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.926 5.059 6.227 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.216 4.681 7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.812 3.108 6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -17.808 2.540 8.049 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.588 1.508 6.616 1.00 0.00 H new ATOM 134 N LYS A 12 -19.924 0.692 4.972 1.00 0.00 N ATOM 135 CA LYS A 12 -19.750 -0.652 4.434 1.00 0.00 C ATOM 136 C LYS A 12 -18.329 -1.153 4.674 1.00 0.00 C ATOM 137 O LYS A 12 -17.358 -0.453 4.391 1.00 0.00 O ATOM 138 CB LYS A 12 -20.061 -0.668 2.935 1.00 0.00 C ATOM 139 CG LYS A 12 -21.535 -0.855 2.622 1.00 0.00 C ATOM 140 CD LYS A 12 -21.747 -1.314 1.189 1.00 0.00 C ATOM 141 CE LYS A 12 -21.606 -2.823 1.062 1.00 0.00 C ATOM 142 NZ LYS A 12 -22.810 -3.538 1.571 1.00 0.00 N ATOM 0 H LYS A 12 -19.969 1.426 4.265 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.444 -1.316 4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.720 0.267 2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.493 -1.470 2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.963 -1.587 3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -22.065 0.083 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.738 -1.010 0.851 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.024 -0.824 0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -21.443 -3.086 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -20.727 -3.153 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -22.742 -4.547 1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.866 -3.432 2.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -23.664 -3.134 1.135 1.00 0.00 H new ATOM 156 N GLU A 13 -18.217 -2.371 5.197 1.00 0.00 N ATOM 157 CA GLU A 13 -16.915 -2.965 5.474 1.00 0.00 C ATOM 158 C GLU A 13 -16.252 -3.448 4.187 1.00 0.00 C ATOM 159 O GLU A 13 -16.749 -4.359 3.523 1.00 0.00 O ATOM 160 CB GLU A 13 -17.060 -4.131 6.454 1.00 0.00 C ATOM 161 CG GLU A 13 -18.040 -5.197 5.992 1.00 0.00 C ATOM 162 CD GLU A 13 -18.207 -6.314 7.004 1.00 0.00 C ATOM 163 OE1 GLU A 13 -18.746 -6.046 8.098 1.00 0.00 O ATOM 164 OE2 GLU A 13 -17.800 -7.454 6.702 1.00 0.00 O ATOM 0 H GLU A 13 -19.011 -2.964 5.437 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.283 -2.199 5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.083 -4.590 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.385 -3.744 7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.009 -4.736 5.802 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.696 -5.617 5.047 1.00 0.00 H new ATOM 171 N LEU A 14 -15.128 -2.831 3.840 1.00 0.00 N ATOM 172 CA LEU A 14 -14.396 -3.196 2.632 1.00 0.00 C ATOM 173 C LEU A 14 -13.172 -4.039 2.972 1.00 0.00 C ATOM 174 O LEU A 14 -12.519 -3.823 3.993 1.00 0.00 O ATOM 175 CB LEU A 14 -13.969 -1.940 1.871 1.00 0.00 C ATOM 176 CG LEU A 14 -15.025 -0.840 1.745 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.389 0.458 1.274 1.00 0.00 C ATOM 178 CD2 LEU A 14 -16.132 -1.270 0.795 1.00 0.00 C ATOM 0 H LEU A 14 -14.703 -2.076 4.378 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.058 -3.788 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.093 -1.520 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.659 -2.235 0.869 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.464 -0.669 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.155 1.229 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.633 0.774 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.923 0.303 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.874 -0.475 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.709 -1.469 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.607 -2.174 1.175 1.00 0.00 H new ATOM 190 N THR A 15 -12.863 -5.001 2.107 1.00 0.00 N ATOM 191 CA THR A 15 -11.717 -5.877 2.315 1.00 0.00 C ATOM 192 C THR A 15 -10.509 -5.400 1.515 1.00 0.00 C ATOM 193 O THR A 15 -10.325 -5.785 0.361 1.00 0.00 O ATOM 194 CB THR A 15 -12.040 -7.329 1.917 1.00 0.00 C ATOM 195 OG1 THR A 15 -13.240 -7.760 2.569 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.894 -8.259 2.288 1.00 0.00 C ATOM 0 H THR A 15 -13.391 -5.193 1.256 1.00 0.00 H new ATOM 0 HA THR A 15 -11.482 -5.843 3.379 1.00 0.00 H new ATOM 0 HB THR A 15 -12.181 -7.364 0.837 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.440 -8.684 2.309 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.145 -9.279 1.997 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.988 -7.946 1.768 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.727 -8.219 3.364 1.00 0.00 H new ATOM 204 N VAL A 16 -9.688 -4.559 2.137 1.00 0.00 N ATOM 205 CA VAL A 16 -8.496 -4.031 1.484 1.00 0.00 C ATOM 206 C VAL A 16 -7.296 -4.942 1.711 1.00 0.00 C ATOM 207 O VAL A 16 -7.062 -5.413 2.825 1.00 0.00 O ATOM 208 CB VAL A 16 -8.158 -2.617 1.993 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.840 -2.139 1.403 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.283 -1.648 1.662 1.00 0.00 C ATOM 0 H VAL A 16 -9.827 -4.229 3.092 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.714 -3.983 0.417 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.051 -2.656 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.617 -1.138 1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.042 -2.821 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.915 -2.115 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.027 -0.654 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.425 -1.611 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.204 -1.984 2.138 1.00 0.00 H new ATOM 220 N SER A 17 -6.536 -5.187 0.648 1.00 0.00 N ATOM 221 CA SER A 17 -5.360 -6.046 0.730 1.00 0.00 C ATOM 222 C SER A 17 -4.324 -5.649 -0.317 1.00 0.00 C ATOM 223 O SER A 17 -4.639 -5.525 -1.501 1.00 0.00 O ATOM 224 CB SER A 17 -5.758 -7.511 0.542 1.00 0.00 C ATOM 225 OG SER A 17 -4.701 -8.378 0.916 1.00 0.00 O ATOM 0 H SER A 17 -6.714 -4.803 -0.280 1.00 0.00 H new ATOM 0 HA SER A 17 -4.918 -5.922 1.718 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.642 -7.731 1.141 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.026 -7.688 -0.500 1.00 0.00 H new ATOM 0 HG SER A 17 -4.981 -9.309 0.788 1.00 0.00 H new ATOM 231 N ALA A 18 -3.087 -5.453 0.127 1.00 0.00 N ATOM 232 CA ALA A 18 -2.004 -5.073 -0.771 1.00 0.00 C ATOM 233 C ALA A 18 -1.480 -6.280 -1.541 1.00 0.00 C ATOM 234 O ALA A 18 -1.171 -6.185 -2.728 1.00 0.00 O ATOM 235 CB ALA A 18 -0.877 -4.414 0.011 1.00 0.00 C ATOM 0 H ALA A 18 -2.810 -5.551 1.104 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.398 -4.358 -1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.075 -4.135 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.254 -3.522 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.494 -5.112 0.755 1.00 0.00 H new ATOM 241 N GLY A 19 -1.383 -7.416 -0.857 1.00 0.00 N ATOM 242 CA GLY A 19 -0.896 -8.626 -1.493 1.00 0.00 C ATOM 243 C GLY A 19 -0.147 -9.526 -0.530 1.00 0.00 C ATOM 244 O GLY A 19 -0.695 -10.514 -0.040 1.00 0.00 O ATOM 0 H GLY A 19 -1.633 -7.520 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.737 -9.174 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.239 -8.359 -2.321 1.00 0.00 H new ATOM 248 N ASP A 20 1.108 -9.187 -0.260 1.00 0.00 N ATOM 249 CA ASP A 20 1.934 -9.972 0.650 1.00 0.00 C ATOM 250 C ASP A 20 3.287 -9.304 0.870 1.00 0.00 C ATOM 251 O ASP A 20 3.691 -8.430 0.104 1.00 0.00 O ATOM 252 CB ASP A 20 2.132 -11.386 0.101 1.00 0.00 C ATOM 253 CG ASP A 20 2.686 -12.339 1.142 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.243 -12.266 2.308 1.00 0.00 O ATOM 255 OD2 ASP A 20 3.562 -13.157 0.792 1.00 0.00 O ATOM 0 H ASP A 20 1.576 -8.373 -0.658 1.00 0.00 H new ATOM 0 HA ASP A 20 1.419 -10.031 1.609 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.179 -11.767 -0.266 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.810 -11.350 -0.752 1.00 0.00 H new ATOM 260 N ASN A 21 3.983 -9.720 1.923 1.00 0.00 N ATOM 261 CA ASN A 21 5.290 -9.161 2.245 1.00 0.00 C ATOM 262 C ASN A 21 6.247 -9.298 1.065 1.00 0.00 C ATOM 263 O ASN A 21 6.359 -10.367 0.464 1.00 0.00 O ATOM 264 CB ASN A 21 5.877 -9.857 3.475 1.00 0.00 C ATOM 265 CG ASN A 21 6.165 -11.325 3.226 1.00 0.00 C ATOM 266 OD1 ASN A 21 7.222 -11.682 2.706 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.223 -12.184 3.597 1.00 0.00 N ATOM 0 H ASN A 21 3.663 -10.443 2.568 1.00 0.00 H new ATOM 0 HA ASN A 21 5.160 -8.101 2.463 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.798 -9.354 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.182 -9.762 4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.360 -13.185 3.454 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.362 -11.843 4.025 1.00 0.00 H new ATOM 274 N LEU A 22 6.934 -8.209 0.738 1.00 0.00 N ATOM 275 CA LEU A 22 7.882 -8.207 -0.371 1.00 0.00 C ATOM 276 C LEU A 22 9.307 -7.995 0.131 1.00 0.00 C ATOM 277 O LEU A 22 9.532 -7.275 1.104 1.00 0.00 O ATOM 278 CB LEU A 22 7.517 -7.115 -1.378 1.00 0.00 C ATOM 279 CG LEU A 22 6.061 -7.093 -1.846 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.550 -8.508 -2.068 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.188 -6.362 -0.836 1.00 0.00 C ATOM 0 H LEU A 22 6.852 -7.316 1.225 1.00 0.00 H new ATOM 0 HA LEU A 22 7.830 -9.178 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.750 -6.147 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.157 -7.227 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 22 6.012 -6.558 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.513 -8.472 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.158 -8.999 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.613 -9.068 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.155 -6.356 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.243 -6.870 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.540 -5.336 -0.726 1.00 0.00 H new ATOM 293 N ILE A 23 10.265 -8.626 -0.540 1.00 0.00 N ATOM 294 CA ILE A 23 11.668 -8.503 -0.163 1.00 0.00 C ATOM 295 C ILE A 23 12.535 -8.176 -1.374 1.00 0.00 C ATOM 296 O ILE A 23 12.406 -8.799 -2.429 1.00 0.00 O ATOM 297 CB ILE A 23 12.189 -9.795 0.494 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.282 -10.203 1.656 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.620 -9.605 0.974 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.607 -11.566 2.226 1.00 0.00 C ATOM 0 H ILE A 23 10.096 -9.227 -1.347 1.00 0.00 H new ATOM 0 HA ILE A 23 11.732 -7.688 0.557 1.00 0.00 H new ATOM 0 HB ILE A 23 12.178 -10.593 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.362 -9.458 2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.246 -10.197 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.974 -10.527 1.436 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.258 -9.356 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.654 -8.797 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.925 -11.790 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.499 -12.321 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.632 -11.571 2.596 1.00 0.00 H new ATOM 312 N ILE A 24 13.420 -7.197 -1.214 1.00 0.00 N ATOM 313 CA ILE A 24 14.311 -6.790 -2.293 1.00 0.00 C ATOM 314 C ILE A 24 15.765 -6.788 -1.834 1.00 0.00 C ATOM 315 O ILE A 24 16.051 -6.875 -0.640 1.00 0.00 O ATOM 316 CB ILE A 24 13.950 -5.390 -2.823 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.353 -4.535 -1.703 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.978 -5.499 -3.989 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.211 -3.074 -2.068 1.00 0.00 C ATOM 0 H ILE A 24 13.539 -6.672 -0.348 1.00 0.00 H new ATOM 0 HA ILE A 24 14.187 -7.517 -3.096 1.00 0.00 H new ATOM 0 HB ILE A 24 14.860 -4.906 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.373 -4.932 -1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 24 13.982 -4.620 -0.817 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.732 -4.501 -4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.437 -6.075 -4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.068 -5.999 -3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.782 -2.529 -1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.192 -2.661 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.557 -2.977 -2.935 1.00 0.00 H new ATOM 331 N THR A 25 16.682 -6.687 -2.792 1.00 0.00 N ATOM 332 CA THR A 25 18.107 -6.673 -2.487 1.00 0.00 C ATOM 333 C THR A 25 18.838 -5.631 -3.325 1.00 0.00 C ATOM 334 O THR A 25 18.564 -5.472 -4.515 1.00 0.00 O ATOM 335 CB THR A 25 18.747 -8.053 -2.731 1.00 0.00 C ATOM 336 OG1 THR A 25 18.081 -9.048 -1.947 1.00 0.00 O ATOM 337 CG2 THR A 25 20.228 -8.032 -2.381 1.00 0.00 C ATOM 0 H THR A 25 16.463 -6.614 -3.785 1.00 0.00 H new ATOM 0 HA THR A 25 18.202 -6.418 -1.432 1.00 0.00 H new ATOM 0 HB THR A 25 18.643 -8.295 -3.789 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.493 -9.922 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.658 -9.017 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.738 -7.294 -3.001 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.350 -7.770 -1.330 1.00 0.00 H new ATOM 345 N LEU A 26 19.771 -4.922 -2.697 1.00 0.00 N ATOM 346 CA LEU A 26 20.543 -3.894 -3.386 1.00 0.00 C ATOM 347 C LEU A 26 21.311 -4.487 -4.563 1.00 0.00 C ATOM 348 O LEU A 26 21.621 -5.678 -4.597 1.00 0.00 O ATOM 349 CB LEU A 26 21.515 -3.223 -2.414 1.00 0.00 C ATOM 350 CG LEU A 26 20.900 -2.230 -1.427 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.942 -1.756 -0.426 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.293 -1.048 -2.168 1.00 0.00 C ATOM 0 H LEU A 26 20.011 -5.041 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 26 19.848 -3.147 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 26 22.024 -4.001 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.277 -2.703 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 26 20.105 -2.737 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.485 -1.050 0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.329 -2.611 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.759 -1.267 -0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.860 -0.352 -1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 26 21.069 -0.541 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.515 -1.403 -2.844 1.00 0.00 H new ATOM 364 N PRO A 27 21.627 -3.637 -5.551 1.00 0.00 N ATOM 365 CA PRO A 27 21.262 -2.218 -5.522 1.00 0.00 C ATOM 366 C PRO A 27 19.761 -2.001 -5.684 1.00 0.00 C ATOM 367 O PRO A 27 19.226 -0.969 -5.279 1.00 0.00 O ATOM 368 CB PRO A 27 22.019 -1.632 -6.717 1.00 0.00 C ATOM 369 CG PRO A 27 22.208 -2.782 -7.646 1.00 0.00 C ATOM 370 CD PRO A 27 22.364 -3.997 -6.774 1.00 0.00 C ATOM 0 HA PRO A 27 21.515 -1.752 -4.570 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.452 -0.830 -7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.976 -1.209 -6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.354 -2.888 -8.314 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.087 -2.636 -8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.948 -4.887 -7.247 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.412 -4.209 -6.564 1.00 0.00 H new ATOM 378 N ASP A 28 19.088 -2.980 -6.278 1.00 0.00 N ATOM 379 CA ASP A 28 17.648 -2.897 -6.491 1.00 0.00 C ATOM 380 C ASP A 28 16.932 -2.474 -5.212 1.00 0.00 C ATOM 381 O ASP A 28 16.637 -3.302 -4.352 1.00 0.00 O ATOM 382 CB ASP A 28 17.104 -4.243 -6.974 1.00 0.00 C ATOM 383 CG ASP A 28 17.293 -4.443 -8.465 1.00 0.00 C ATOM 384 OD1 ASP A 28 16.556 -3.807 -9.247 1.00 0.00 O ATOM 385 OD2 ASP A 28 18.178 -5.235 -8.849 1.00 0.00 O ATOM 0 H ASP A 28 19.516 -3.840 -6.620 1.00 0.00 H new ATOM 0 HA ASP A 28 17.462 -2.143 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.605 -5.048 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.043 -4.310 -6.733 1.00 0.00 H new ATOM 390 N ASN A 29 16.657 -1.179 -5.095 1.00 0.00 N ATOM 391 CA ASN A 29 15.977 -0.646 -3.920 1.00 0.00 C ATOM 392 C ASN A 29 14.617 -0.066 -4.295 1.00 0.00 C ATOM 393 O ASN A 29 14.075 0.780 -3.585 1.00 0.00 O ATOM 394 CB ASN A 29 16.836 0.430 -3.253 1.00 0.00 C ATOM 395 CG ASN A 29 17.385 1.433 -4.249 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.935 1.496 -5.394 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.361 2.222 -3.818 1.00 0.00 N ATOM 0 H ASN A 29 16.894 -0.480 -5.799 1.00 0.00 H new ATOM 0 HA ASN A 29 15.822 -1.465 -3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.241 0.954 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.664 -0.045 -2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.770 2.916 -4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.702 2.134 -2.861 1.00 0.00 H new ATOM 404 N GLU A 30 14.071 -0.528 -5.416 1.00 0.00 N ATOM 405 CA GLU A 30 12.774 -0.054 -5.885 1.00 0.00 C ATOM 406 C GLU A 30 11.727 -1.161 -5.797 1.00 0.00 C ATOM 407 O GLU A 30 11.988 -2.309 -6.156 1.00 0.00 O ATOM 408 CB GLU A 30 12.881 0.449 -7.326 1.00 0.00 C ATOM 409 CG GLU A 30 13.994 1.461 -7.536 1.00 0.00 C ATOM 410 CD GLU A 30 13.965 2.081 -8.920 1.00 0.00 C ATOM 411 OE1 GLU A 30 12.912 2.637 -9.298 1.00 0.00 O ATOM 412 OE2 GLU A 30 14.993 2.012 -9.624 1.00 0.00 O ATOM 0 H GLU A 30 14.506 -1.229 -6.015 1.00 0.00 H new ATOM 0 HA GLU A 30 12.462 0.770 -5.243 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.045 -0.402 -7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.932 0.900 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.910 2.249 -6.787 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.957 0.974 -7.380 1.00 0.00 H new ATOM 419 N VAL A 31 10.539 -0.807 -5.315 1.00 0.00 N ATOM 420 CA VAL A 31 9.452 -1.768 -5.180 1.00 0.00 C ATOM 421 C VAL A 31 8.108 -1.128 -5.511 1.00 0.00 C ATOM 422 O VAL A 31 7.859 0.027 -5.168 1.00 0.00 O ATOM 423 CB VAL A 31 9.392 -2.352 -3.756 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.535 -1.247 -2.720 1.00 0.00 C ATOM 425 CG2 VAL A 31 8.098 -3.123 -3.550 1.00 0.00 C ATOM 0 H VAL A 31 10.306 0.139 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 31 9.652 -2.573 -5.887 1.00 0.00 H new ATOM 0 HB VAL A 31 10.224 -3.045 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.490 -1.678 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.492 -0.743 -2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.725 -0.527 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.073 -3.528 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.249 -2.454 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.043 -3.940 -4.270 1.00 0.00 H new ATOM 435 N GLU A 32 7.246 -1.887 -6.180 1.00 0.00 N ATOM 436 CA GLU A 32 5.927 -1.393 -6.558 1.00 0.00 C ATOM 437 C GLU A 32 4.828 -2.181 -5.852 1.00 0.00 C ATOM 438 O GLU A 32 4.682 -3.387 -6.059 1.00 0.00 O ATOM 439 CB GLU A 32 5.740 -1.481 -8.074 1.00 0.00 C ATOM 440 CG GLU A 32 4.315 -1.215 -8.528 1.00 0.00 C ATOM 441 CD GLU A 32 4.240 -0.730 -9.963 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.201 -0.074 -10.417 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.222 -1.005 -10.631 1.00 0.00 O ATOM 0 H GLU A 32 7.437 -2.846 -6.471 1.00 0.00 H new ATOM 0 HA GLU A 32 5.856 -0.350 -6.251 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.406 -0.765 -8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.041 -2.473 -8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.729 -2.128 -8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.862 -0.471 -7.873 1.00 0.00 H new ATOM 450 N LEU A 33 4.057 -1.493 -5.018 1.00 0.00 N ATOM 451 CA LEU A 33 2.971 -2.127 -4.279 1.00 0.00 C ATOM 452 C LEU A 33 1.616 -1.736 -4.861 1.00 0.00 C ATOM 453 O LEU A 33 1.479 -0.691 -5.497 1.00 0.00 O ATOM 454 CB LEU A 33 3.036 -1.738 -2.802 1.00 0.00 C ATOM 455 CG LEU A 33 4.434 -1.662 -2.188 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.473 -0.629 -1.073 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.863 -3.027 -1.669 1.00 0.00 C ATOM 0 H LEU A 33 4.164 -0.495 -4.836 1.00 0.00 H new ATOM 0 HA LEU A 33 3.086 -3.207 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.555 -0.767 -2.681 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.449 -2.458 -2.231 1.00 0.00 H new ATOM 0 HG LEU A 33 5.134 -1.354 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.476 -0.590 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.210 0.350 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.761 -0.906 -0.296 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.860 -2.954 -1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.160 -3.364 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.876 -3.741 -2.492 1.00 0.00 H new ATOM 469 N LYS A 34 0.615 -2.581 -4.637 1.00 0.00 N ATOM 470 CA LYS A 34 -0.731 -2.323 -5.135 1.00 0.00 C ATOM 471 C LYS A 34 -1.780 -2.744 -4.111 1.00 0.00 C ATOM 472 O LYS A 34 -1.650 -3.785 -3.468 1.00 0.00 O ATOM 473 CB LYS A 34 -0.961 -3.068 -6.453 1.00 0.00 C ATOM 474 CG LYS A 34 -2.154 -2.556 -7.240 1.00 0.00 C ATOM 475 CD LYS A 34 -1.976 -2.782 -8.732 1.00 0.00 C ATOM 476 CE LYS A 34 -2.468 -4.159 -9.151 1.00 0.00 C ATOM 477 NZ LYS A 34 -1.397 -5.187 -9.044 1.00 0.00 N ATOM 0 H LYS A 34 0.711 -3.451 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.828 -1.251 -5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.066 -2.983 -7.070 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.103 -4.128 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.059 -3.060 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.290 -1.492 -7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.521 -2.016 -9.284 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.923 -2.676 -8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.313 -4.448 -8.526 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.831 -4.118 -10.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.494 -5.872 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.466 -4.726 -9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.481 -5.682 -8.133 1.00 0.00 H new ATOM 491 N ALA A 35 -2.820 -1.929 -3.967 1.00 0.00 N ATOM 492 CA ALA A 35 -3.892 -2.220 -3.024 1.00 0.00 C ATOM 493 C ALA A 35 -5.079 -2.872 -3.726 1.00 0.00 C ATOM 494 O ALA A 35 -5.396 -2.541 -4.868 1.00 0.00 O ATOM 495 CB ALA A 35 -4.331 -0.947 -2.316 1.00 0.00 C ATOM 0 H ALA A 35 -2.942 -1.063 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.510 -2.923 -2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.132 -1.179 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.486 -0.522 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.690 -0.227 -3.051 1.00 0.00 H new ATOM 501 N PHE A 36 -5.730 -3.803 -3.035 1.00 0.00 N ATOM 502 CA PHE A 36 -6.881 -4.503 -3.593 1.00 0.00 C ATOM 503 C PHE A 36 -8.067 -4.450 -2.635 1.00 0.00 C ATOM 504 O PHE A 36 -8.012 -4.989 -1.530 1.00 0.00 O ATOM 505 CB PHE A 36 -6.520 -5.959 -3.896 1.00 0.00 C ATOM 506 CG PHE A 36 -5.607 -6.117 -5.078 1.00 0.00 C ATOM 507 CD1 PHE A 36 -5.846 -5.423 -6.253 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.509 -6.961 -5.014 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.008 -5.566 -7.342 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.667 -7.107 -6.100 1.00 0.00 C ATOM 511 CZ PHE A 36 -3.917 -6.410 -7.266 1.00 0.00 C ATOM 0 H PHE A 36 -5.480 -4.090 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.164 -4.005 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.044 -6.397 -3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.436 -6.522 -4.077 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.698 -4.762 -6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.310 -7.510 -4.106 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.206 -5.019 -8.252 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.814 -7.766 -6.037 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.261 -6.525 -8.116 1.00 0.00 H new ATOM 521 N VAL A 37 -9.140 -3.795 -3.067 1.00 0.00 N ATOM 522 CA VAL A 37 -10.341 -3.671 -2.250 1.00 0.00 C ATOM 523 C VAL A 37 -11.549 -4.280 -2.952 1.00 0.00 C ATOM 524 O VAL A 37 -11.750 -4.080 -4.149 1.00 0.00 O ATOM 525 CB VAL A 37 -10.643 -2.198 -1.917 1.00 0.00 C ATOM 526 CG1 VAL A 37 -10.726 -1.369 -3.189 1.00 0.00 C ATOM 527 CG2 VAL A 37 -11.930 -2.087 -1.114 1.00 0.00 C ATOM 0 H VAL A 37 -9.202 -3.342 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.151 -4.214 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.827 -1.806 -1.309 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.940 -0.331 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.776 -1.423 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.521 -1.757 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.128 -1.039 -0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.757 -2.496 -1.694 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.828 -2.646 -0.184 1.00 0.00 H new ATOM 537 N ALA A 38 -12.351 -5.025 -2.198 1.00 0.00 N ATOM 538 CA ALA A 38 -13.542 -5.661 -2.747 1.00 0.00 C ATOM 539 C ALA A 38 -14.768 -5.364 -1.890 1.00 0.00 C ATOM 540 O ALA A 38 -14.690 -5.261 -0.666 1.00 0.00 O ATOM 541 CB ALA A 38 -13.330 -7.163 -2.865 1.00 0.00 C ATOM 0 H ALA A 38 -12.197 -5.203 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.718 -5.250 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.227 -7.626 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.485 -7.360 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.126 -7.580 -1.879 1.00 0.00 H new ATOM 547 N PRO A 39 -15.929 -5.222 -2.546 1.00 0.00 N ATOM 548 CA PRO A 39 -16.035 -5.342 -4.003 1.00 0.00 C ATOM 549 C PRO A 39 -15.369 -4.179 -4.731 1.00 0.00 C ATOM 550 O PRO A 39 -15.287 -3.070 -4.204 1.00 0.00 O ATOM 551 CB PRO A 39 -17.545 -5.334 -4.252 1.00 0.00 C ATOM 552 CG PRO A 39 -18.116 -4.605 -3.085 1.00 0.00 C ATOM 553 CD PRO A 39 -17.228 -4.933 -1.916 1.00 0.00 C ATOM 0 HA PRO A 39 -15.533 -6.235 -4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.789 -4.834 -5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.941 -6.347 -4.318 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.138 -3.531 -3.269 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.143 -4.917 -2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.159 -4.099 -1.217 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.602 -5.789 -1.355 1.00 0.00 H new ATOM 561 N ALA A 40 -14.893 -4.440 -5.944 1.00 0.00 N ATOM 562 CA ALA A 40 -14.237 -3.414 -6.744 1.00 0.00 C ATOM 563 C ALA A 40 -15.241 -2.380 -7.242 1.00 0.00 C ATOM 564 O ALA A 40 -16.371 -2.702 -7.609 1.00 0.00 O ATOM 565 CB ALA A 40 -13.505 -4.048 -7.918 1.00 0.00 C ATOM 0 H ALA A 40 -14.950 -5.354 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.512 -2.903 -6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.020 -3.270 -8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.753 -4.743 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.218 -4.585 -8.544 1.00 0.00 H new ATOM 571 N PRO A 41 -14.822 -1.105 -7.254 1.00 0.00 N ATOM 572 CA PRO A 41 -15.670 0.003 -7.703 1.00 0.00 C ATOM 573 C PRO A 41 -15.920 -0.032 -9.207 1.00 0.00 C ATOM 574 O PRO A 41 -15.152 -0.613 -9.975 1.00 0.00 O ATOM 575 CB PRO A 41 -14.861 1.245 -7.324 1.00 0.00 C ATOM 576 CG PRO A 41 -13.445 0.781 -7.294 1.00 0.00 C ATOM 577 CD PRO A 41 -13.488 -0.648 -6.829 1.00 0.00 C ATOM 0 HA PRO A 41 -16.660 -0.032 -7.249 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.000 2.045 -8.051 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -15.169 1.638 -6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.988 0.857 -8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.848 1.393 -6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.696 -1.243 -7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.363 -0.723 -5.749 1.00 0.00 H new ATOM 585 N PRO A 42 -17.018 0.604 -9.640 1.00 0.00 N ATOM 586 CA PRO A 42 -17.394 0.661 -11.056 1.00 0.00 C ATOM 587 C PRO A 42 -16.447 1.534 -11.872 1.00 0.00 C ATOM 588 O PRO A 42 -15.433 2.012 -11.363 1.00 0.00 O ATOM 589 CB PRO A 42 -18.796 1.274 -11.027 1.00 0.00 C ATOM 590 CG PRO A 42 -18.838 2.062 -9.764 1.00 0.00 C ATOM 591 CD PRO A 42 -17.978 1.317 -8.781 1.00 0.00 C ATOM 0 HA PRO A 42 -17.354 -0.321 -11.528 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.969 1.909 -11.896 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.566 0.502 -11.038 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -18.463 3.073 -9.922 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.860 2.155 -9.396 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -17.474 1.996 -8.093 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.565 0.627 -8.176 1.00 0.00 H new ATOM 599 N VAL A 43 -16.785 1.740 -13.141 1.00 0.00 N ATOM 600 CA VAL A 43 -15.965 2.558 -14.028 1.00 0.00 C ATOM 601 C VAL A 43 -16.082 4.036 -13.675 1.00 0.00 C ATOM 602 O VAL A 43 -15.163 4.817 -13.921 1.00 0.00 O ATOM 603 CB VAL A 43 -16.364 2.360 -15.502 1.00 0.00 C ATOM 604 CG1 VAL A 43 -17.871 2.483 -15.669 1.00 0.00 C ATOM 605 CG2 VAL A 43 -15.638 3.360 -16.389 1.00 0.00 C ATOM 0 H VAL A 43 -17.621 1.352 -13.578 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.933 2.236 -13.893 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.070 1.356 -15.808 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -18.134 2.340 -16.717 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.367 1.724 -15.064 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.193 3.473 -15.346 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.932 3.206 -17.427 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.900 4.373 -16.085 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.562 3.218 -16.292 1.00 0.00 H new ATOM 615 N GLU A 44 -17.218 4.413 -13.096 1.00 0.00 N ATOM 616 CA GLU A 44 -17.454 5.799 -12.709 1.00 0.00 C ATOM 617 C GLU A 44 -16.937 6.066 -11.299 1.00 0.00 C ATOM 618 O GLU A 44 -15.967 6.802 -11.108 1.00 0.00 O ATOM 619 CB GLU A 44 -18.946 6.127 -12.788 1.00 0.00 C ATOM 620 CG GLU A 44 -19.523 6.004 -14.188 1.00 0.00 C ATOM 621 CD GLU A 44 -19.390 7.285 -14.988 1.00 0.00 C ATOM 622 OE1 GLU A 44 -20.149 8.239 -14.711 1.00 0.00 O ATOM 623 OE2 GLU A 44 -18.529 7.335 -15.891 1.00 0.00 O ATOM 0 H GLU A 44 -17.988 3.779 -12.885 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.911 6.440 -13.403 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.492 5.461 -12.119 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.106 7.143 -12.426 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.017 5.196 -14.716 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -20.576 5.730 -14.120 1.00 0.00 H new ATOM 630 N THR A 45 -17.592 5.464 -10.311 1.00 0.00 N ATOM 631 CA THR A 45 -17.201 5.637 -8.917 1.00 0.00 C ATOM 632 C THR A 45 -15.865 4.960 -8.633 1.00 0.00 C ATOM 633 O THR A 45 -15.548 3.920 -9.211 1.00 0.00 O ATOM 634 CB THR A 45 -18.266 5.069 -7.961 1.00 0.00 C ATOM 635 OG1 THR A 45 -19.565 5.539 -8.338 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.973 5.473 -6.524 1.00 0.00 C ATOM 0 H THR A 45 -18.396 4.852 -10.450 1.00 0.00 H new ATOM 0 HA THR A 45 -17.105 6.709 -8.746 1.00 0.00 H new ATOM 0 HB THR A 45 -18.240 3.981 -8.029 1.00 0.00 H new ATOM 0 HG1 THR A 45 -20.236 5.172 -7.726 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.738 5.060 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.996 5.088 -6.230 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.974 6.560 -6.444 1.00 0.00 H new ATOM 644 N THR A 46 -15.084 5.555 -7.737 1.00 0.00 N ATOM 645 CA THR A 46 -13.782 5.010 -7.376 1.00 0.00 C ATOM 646 C THR A 46 -13.381 5.431 -5.967 1.00 0.00 C ATOM 647 O THR A 46 -13.830 6.462 -5.465 1.00 0.00 O ATOM 648 CB THR A 46 -12.690 5.461 -8.365 1.00 0.00 C ATOM 649 OG1 THR A 46 -11.441 4.846 -8.029 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.536 6.974 -8.348 1.00 0.00 C ATOM 0 H THR A 46 -15.331 6.415 -7.248 1.00 0.00 H new ATOM 0 HA THR A 46 -13.872 3.924 -7.416 1.00 0.00 H new ATOM 0 HB THR A 46 -12.989 5.153 -9.367 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.752 5.136 -8.663 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.760 7.269 -9.054 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.480 7.439 -8.632 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.258 7.300 -7.346 1.00 0.00 H new ATOM 658 N TYR A 47 -12.533 4.628 -5.334 1.00 0.00 N ATOM 659 CA TYR A 47 -12.072 4.918 -3.981 1.00 0.00 C ATOM 660 C TYR A 47 -10.730 5.643 -4.005 1.00 0.00 C ATOM 661 O TYR A 47 -10.123 5.812 -5.061 1.00 0.00 O ATOM 662 CB TYR A 47 -11.951 3.624 -3.173 1.00 0.00 C ATOM 663 CG TYR A 47 -13.170 2.735 -3.268 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.451 3.273 -3.239 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.041 1.356 -3.387 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.568 2.464 -3.324 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.152 0.540 -3.474 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.413 1.098 -3.442 1.00 0.00 C ATOM 669 OH TYR A 47 -16.523 0.289 -3.529 1.00 0.00 O ATOM 0 H TYR A 47 -12.151 3.772 -5.736 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.807 5.568 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.079 3.069 -3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.775 3.874 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.576 4.342 -3.148 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.055 0.915 -3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.556 2.898 -3.298 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -14.034 -0.530 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.241 -0.646 -3.608 1.00 0.00 H new ATOM 679 N ASN A 48 -10.273 6.068 -2.832 1.00 0.00 N ATOM 680 CA ASN A 48 -9.003 6.775 -2.717 1.00 0.00 C ATOM 681 C ASN A 48 -7.989 5.947 -1.933 1.00 0.00 C ATOM 682 O ASN A 48 -8.309 5.381 -0.887 1.00 0.00 O ATOM 683 CB ASN A 48 -9.209 8.129 -2.035 1.00 0.00 C ATOM 684 CG ASN A 48 -8.211 9.170 -2.504 1.00 0.00 C ATOM 685 OD1 ASN A 48 -7.280 9.524 -1.780 1.00 0.00 O ATOM 686 ND2 ASN A 48 -8.401 9.665 -3.721 1.00 0.00 N ATOM 0 H ASN A 48 -10.763 5.935 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.614 6.938 -3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.220 8.483 -2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.122 8.006 -0.955 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.762 10.368 -4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.186 9.342 -4.286 1.00 0.00 H new ATOM 693 N TYR A 49 -6.765 5.882 -2.445 1.00 0.00 N ATOM 694 CA TYR A 49 -5.704 5.122 -1.794 1.00 0.00 C ATOM 695 C TYR A 49 -4.689 6.055 -1.140 1.00 0.00 C ATOM 696 O TYR A 49 -3.943 6.755 -1.824 1.00 0.00 O ATOM 697 CB TYR A 49 -5.002 4.216 -2.806 1.00 0.00 C ATOM 698 CG TYR A 49 -5.953 3.376 -3.628 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.584 3.901 -4.749 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.220 2.056 -3.284 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.455 3.137 -5.502 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.088 1.284 -4.033 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.703 1.829 -5.140 1.00 0.00 C ATOM 704 OH TYR A 49 -8.569 1.065 -5.889 1.00 0.00 O ATOM 0 H TYR A 49 -6.483 6.346 -3.308 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.157 4.505 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.401 4.831 -3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.314 3.557 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.390 4.924 -5.037 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.741 1.626 -2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.939 3.561 -6.369 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.283 0.259 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.092 0.689 -6.658 1.00 0.00 H new ATOM 714 N GLU A 50 -4.667 6.057 0.189 1.00 0.00 N ATOM 715 CA GLU A 50 -3.744 6.903 0.936 1.00 0.00 C ATOM 716 C GLU A 50 -2.743 6.058 1.719 1.00 0.00 C ATOM 717 O GLU A 50 -3.086 5.456 2.737 1.00 0.00 O ATOM 718 CB GLU A 50 -4.514 7.817 1.892 1.00 0.00 C ATOM 719 CG GLU A 50 -3.618 8.638 2.803 1.00 0.00 C ATOM 720 CD GLU A 50 -4.316 9.866 3.355 1.00 0.00 C ATOM 721 OE1 GLU A 50 -5.129 9.717 4.290 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.047 10.977 2.850 1.00 0.00 O ATOM 0 H GLU A 50 -5.277 5.483 0.770 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.195 7.516 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.142 8.492 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.181 7.210 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.279 8.015 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.730 8.947 2.251 1.00 0.00 H new ATOM 729 N TRP A 51 -1.507 6.018 1.236 1.00 0.00 N ATOM 730 CA TRP A 51 -0.456 5.246 1.890 1.00 0.00 C ATOM 731 C TRP A 51 0.258 6.083 2.945 1.00 0.00 C ATOM 732 O TRP A 51 0.344 7.305 2.828 1.00 0.00 O ATOM 733 CB TRP A 51 0.551 4.738 0.856 1.00 0.00 C ATOM 734 CG TRP A 51 -0.042 3.775 -0.127 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.731 4.085 -1.264 1.00 0.00 C ATOM 736 CD2 TRP A 51 0.001 2.345 -0.058 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.119 2.934 -1.907 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.681 1.853 -1.188 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.552 1.433 0.847 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.828 0.491 -1.433 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.405 0.081 0.601 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.279 -0.380 -0.531 1.00 0.00 C ATOM 0 H TRP A 51 -1.207 6.510 0.394 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.920 4.393 2.384 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.966 5.589 0.315 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.379 4.254 1.373 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -0.940 5.087 -1.608 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.647 2.891 -2.778 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.083 1.778 1.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.357 0.134 -2.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.825 -0.633 1.294 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.375 -1.443 -0.695 1.00 0.00 H new ATOM 753 N ASN A 52 0.770 5.418 3.976 1.00 0.00 N ATOM 754 CA ASN A 52 1.477 6.102 5.052 1.00 0.00 C ATOM 755 C ASN A 52 2.431 5.151 5.768 1.00 0.00 C ATOM 756 O ASN A 52 2.092 3.996 6.030 1.00 0.00 O ATOM 757 CB ASN A 52 0.479 6.690 6.053 1.00 0.00 C ATOM 758 CG ASN A 52 -0.120 7.997 5.572 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.551 9.030 5.551 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.389 7.959 5.182 1.00 0.00 N ATOM 0 H ASN A 52 0.708 4.406 4.089 1.00 0.00 H new ATOM 0 HA ASN A 52 2.061 6.911 4.612 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.320 5.971 6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.979 6.852 7.008 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.846 8.808 4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.907 7.081 5.216 1.00 0.00 H new ATOM 767 N LEU A 53 3.624 5.643 6.082 1.00 0.00 N ATOM 768 CA LEU A 53 4.628 4.838 6.768 1.00 0.00 C ATOM 769 C LEU A 53 4.396 4.848 8.276 1.00 0.00 C ATOM 770 O LEU A 53 4.295 5.909 8.891 1.00 0.00 O ATOM 771 CB LEU A 53 6.031 5.358 6.452 1.00 0.00 C ATOM 772 CG LEU A 53 7.191 4.448 6.855 1.00 0.00 C ATOM 773 CD1 LEU A 53 7.087 3.106 6.147 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.524 5.114 6.546 1.00 0.00 C ATOM 0 H LEU A 53 3.920 6.596 5.872 1.00 0.00 H new ATOM 0 HA LEU A 53 4.540 3.811 6.412 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.095 5.542 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.161 6.320 6.949 1.00 0.00 H new ATOM 0 HG LEU A 53 7.135 4.274 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.921 2.471 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.148 2.623 6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.117 3.260 5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.338 4.452 6.840 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.590 5.318 5.477 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.600 6.050 7.100 1.00 0.00 H new ATOM 786 N ILE A 54 4.316 3.659 8.864 1.00 0.00 N ATOM 787 CA ILE A 54 4.100 3.532 10.300 1.00 0.00 C ATOM 788 C ILE A 54 5.274 2.828 10.972 1.00 0.00 C ATOM 789 O ILE A 54 5.758 3.264 12.017 1.00 0.00 O ATOM 790 CB ILE A 54 2.806 2.756 10.609 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.652 1.576 9.647 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.601 3.679 10.519 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.306 0.892 9.740 1.00 0.00 C ATOM 0 H ILE A 54 4.397 2.771 8.369 1.00 0.00 H new ATOM 0 HA ILE A 54 4.010 4.544 10.696 1.00 0.00 H new ATOM 0 HB ILE A 54 2.867 2.367 11.626 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.802 1.928 8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.436 0.847 9.851 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.694 3.116 10.740 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.709 4.490 11.239 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.535 4.094 9.513 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.268 0.066 9.030 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.161 0.509 10.750 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.517 1.607 9.507 1.00 0.00 H new ATOM 805 N SER A 55 5.729 1.736 10.365 1.00 0.00 N ATOM 806 CA SER A 55 6.846 0.970 10.905 1.00 0.00 C ATOM 807 C SER A 55 8.087 1.129 10.032 1.00 0.00 C ATOM 808 O SER A 55 8.050 0.869 8.828 1.00 0.00 O ATOM 809 CB SER A 55 6.471 -0.509 11.015 1.00 0.00 C ATOM 810 OG SER A 55 7.305 -1.179 11.944 1.00 0.00 O ATOM 0 H SER A 55 5.341 1.362 9.499 1.00 0.00 H new ATOM 0 HA SER A 55 7.072 1.355 11.899 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.430 -0.601 11.324 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.557 -0.983 10.037 1.00 0.00 H new ATOM 0 HG SER A 55 7.044 -2.122 11.997 1.00 0.00 H new ATOM 816 N HIS A 56 9.185 1.557 10.647 1.00 0.00 N ATOM 817 CA HIS A 56 10.438 1.750 9.926 1.00 0.00 C ATOM 818 C HIS A 56 11.589 1.998 10.896 1.00 0.00 C ATOM 819 O HIS A 56 11.409 2.540 11.987 1.00 0.00 O ATOM 820 CB HIS A 56 10.315 2.922 8.952 1.00 0.00 C ATOM 821 CG HIS A 56 10.054 4.235 9.624 1.00 0.00 C ATOM 822 ND1 HIS A 56 11.060 5.089 10.023 1.00 0.00 N ATOM 823 CD2 HIS A 56 8.892 4.839 9.965 1.00 0.00 C ATOM 824 CE1 HIS A 56 10.528 6.162 10.583 1.00 0.00 C ATOM 825 NE2 HIS A 56 9.214 6.035 10.559 1.00 0.00 N ATOM 0 H HIS A 56 9.232 1.777 11.642 1.00 0.00 H new ATOM 0 HA HIS A 56 10.649 0.841 9.363 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.233 2.998 8.370 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.508 2.716 8.249 1.00 0.00 H new ATOM 0 HD1 HIS A 56 12.059 4.919 9.905 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.897 4.453 9.801 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.075 6.999 10.991 1.00 0.00 H new ATOM 834 N PRO A 57 12.802 1.591 10.492 1.00 0.00 N ATOM 835 CA PRO A 57 14.006 1.758 11.311 1.00 0.00 C ATOM 836 C PRO A 57 14.428 3.219 11.431 1.00 0.00 C ATOM 837 O PRO A 57 13.856 4.096 10.783 1.00 0.00 O ATOM 838 CB PRO A 57 15.066 0.956 10.552 1.00 0.00 C ATOM 839 CG PRO A 57 14.593 0.946 9.139 1.00 0.00 C ATOM 840 CD PRO A 57 13.091 0.937 9.205 1.00 0.00 C ATOM 0 HA PRO A 57 13.851 1.422 12.336 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.049 1.419 10.637 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.155 -0.056 10.947 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.955 1.822 8.600 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.966 0.069 8.609 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.649 1.480 8.370 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.693 -0.077 9.172 1.00 0.00 H new ATOM 848 N THR A 58 15.433 3.474 12.263 1.00 0.00 N ATOM 849 CA THR A 58 15.932 4.828 12.467 1.00 0.00 C ATOM 850 C THR A 58 16.872 5.244 11.342 1.00 0.00 C ATOM 851 O THR A 58 17.006 6.429 11.038 1.00 0.00 O ATOM 852 CB THR A 58 16.671 4.957 13.812 1.00 0.00 C ATOM 853 OG1 THR A 58 16.715 6.330 14.217 1.00 0.00 O ATOM 854 CG2 THR A 58 18.085 4.408 13.707 1.00 0.00 C ATOM 0 H THR A 58 15.918 2.760 12.807 1.00 0.00 H new ATOM 0 HA THR A 58 15.064 5.487 12.473 1.00 0.00 H new ATOM 0 HB THR A 58 16.128 4.376 14.557 1.00 0.00 H new ATOM 0 HG1 THR A 58 17.185 6.403 15.074 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.587 4.510 14.669 1.00 0.00 H new ATOM 0 HG22 THR A 58 18.047 3.355 13.427 1.00 0.00 H new ATOM 0 HG23 THR A 58 18.636 4.965 12.949 1.00 0.00 H new ATOM 862 N ASP A 59 17.520 4.262 10.725 1.00 0.00 N ATOM 863 CA ASP A 59 18.447 4.526 9.631 1.00 0.00 C ATOM 864 C ASP A 59 17.728 5.184 8.457 1.00 0.00 C ATOM 865 O ASP A 59 18.321 5.965 7.712 1.00 0.00 O ATOM 866 CB ASP A 59 19.113 3.228 9.174 1.00 0.00 C ATOM 867 CG ASP A 59 20.383 3.476 8.383 1.00 0.00 C ATOM 868 OD1 ASP A 59 20.976 4.563 8.540 1.00 0.00 O ATOM 869 OD2 ASP A 59 20.783 2.582 7.608 1.00 0.00 O ATOM 0 H ASP A 59 17.420 3.275 10.964 1.00 0.00 H new ATOM 0 HA ASP A 59 19.214 5.210 9.994 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.345 2.616 10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 59 18.413 2.659 8.562 1.00 0.00 H new ATOM 874 N TYR A 60 16.449 4.862 8.298 1.00 0.00 N ATOM 875 CA TYR A 60 15.651 5.419 7.213 1.00 0.00 C ATOM 876 C TYR A 60 15.067 6.773 7.605 1.00 0.00 C ATOM 877 O TYR A 60 14.554 6.942 8.711 1.00 0.00 O ATOM 878 CB TYR A 60 14.524 4.456 6.834 1.00 0.00 C ATOM 879 CG TYR A 60 13.904 4.750 5.486 1.00 0.00 C ATOM 880 CD1 TYR A 60 14.588 4.470 4.309 1.00 0.00 C ATOM 881 CD2 TYR A 60 12.635 5.307 5.390 1.00 0.00 C ATOM 882 CE1 TYR A 60 14.025 4.737 3.076 1.00 0.00 C ATOM 883 CE2 TYR A 60 12.065 5.576 4.161 1.00 0.00 C ATOM 884 CZ TYR A 60 12.764 5.290 3.007 1.00 0.00 C ATOM 885 OH TYR A 60 12.199 5.557 1.781 1.00 0.00 O ATOM 0 H TYR A 60 15.943 4.218 8.907 1.00 0.00 H new ATOM 0 HA TYR A 60 16.304 5.561 6.352 1.00 0.00 H new ATOM 0 HB2 TYR A 60 14.913 3.438 6.831 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.748 4.499 7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 60 15.576 4.037 4.359 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.085 5.533 6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.570 4.514 2.171 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.077 6.008 4.104 1.00 0.00 H new ATOM 0 HH TYR A 60 11.308 5.944 1.909 1.00 0.00 H new ATOM 934 N ILE A 64 8.043 9.341 0.993 1.00 0.00 N ATOM 935 CA ILE A 64 6.967 8.680 0.266 1.00 0.00 C ATOM 936 C ILE A 64 5.899 9.680 -0.165 1.00 0.00 C ATOM 937 O ILE A 64 5.779 10.763 0.408 1.00 0.00 O ATOM 938 CB ILE A 64 6.308 7.577 1.116 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.375 6.664 1.722 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.331 6.772 0.272 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.829 5.691 2.743 1.00 0.00 C ATOM 0 HA ILE A 64 7.415 8.227 -0.618 1.00 0.00 H new ATOM 0 HB ILE A 64 5.755 8.047 1.929 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.860 6.105 0.922 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.143 7.278 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.873 5.996 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.556 7.432 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.863 6.310 -0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.641 5.076 3.130 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.370 6.243 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.082 5.051 2.273 1.00 0.00 H new ATOM 953 N LYS A 65 5.124 9.309 -1.178 1.00 0.00 N ATOM 954 CA LYS A 65 4.063 10.171 -1.686 1.00 0.00 C ATOM 955 C LYS A 65 2.689 9.615 -1.322 1.00 0.00 C ATOM 956 O LYS A 65 1.728 9.775 -2.073 1.00 0.00 O ATOM 957 CB LYS A 65 4.179 10.318 -3.204 1.00 0.00 C ATOM 958 CG LYS A 65 5.390 11.121 -3.647 1.00 0.00 C ATOM 959 CD LYS A 65 5.247 11.602 -5.081 1.00 0.00 C ATOM 960 CE LYS A 65 5.692 10.538 -6.073 1.00 0.00 C ATOM 961 NZ LYS A 65 4.655 9.485 -6.259 1.00 0.00 N ATOM 0 H LYS A 65 5.211 8.416 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 65 4.174 11.152 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.227 9.326 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.277 10.797 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.521 11.978 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.287 10.508 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.208 11.869 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.840 12.505 -5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.911 11.005 -7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.617 10.079 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.664 9.159 -7.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.857 8.683 -5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.718 9.876 -6.032 1.00 0.00 H new ATOM 975 N GLN A 66 2.607 8.965 -0.166 1.00 0.00 N ATOM 976 CA GLN A 66 1.350 8.387 0.296 1.00 0.00 C ATOM 977 C GLN A 66 0.604 7.716 -0.853 1.00 0.00 C ATOM 978 O GLN A 66 -0.621 7.612 -0.833 1.00 0.00 O ATOM 979 CB GLN A 66 0.471 9.466 0.930 1.00 0.00 C ATOM 980 CG GLN A 66 1.064 10.069 2.193 1.00 0.00 C ATOM 981 CD GLN A 66 0.572 11.480 2.453 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.220 12.025 1.684 1.00 0.00 O ATOM 983 NE2 GLN A 66 1.041 12.079 3.541 1.00 0.00 N ATOM 0 H GLN A 66 3.394 8.825 0.467 1.00 0.00 H new ATOM 0 HA GLN A 66 1.581 7.630 1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.303 10.260 0.202 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.503 9.038 1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.812 9.438 3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.151 10.076 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.696 11.589 4.150 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.746 13.029 3.767 1.00 0.00 H new ATOM 992 N GLY A 67 1.353 7.263 -1.854 1.00 0.00 N ATOM 993 CA GLY A 67 0.745 6.609 -2.997 1.00 0.00 C ATOM 994 C GLY A 67 -0.621 7.175 -3.331 1.00 0.00 C ATOM 995 O GLY A 67 -1.644 6.536 -3.083 1.00 0.00 O ATOM 0 H GLY A 67 2.370 7.337 -1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.400 6.714 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.653 5.542 -2.794 1.00 0.00 H new ATOM 999 N HIS A 68 -0.639 8.379 -3.894 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.890 9.033 -4.261 1.00 0.00 C ATOM 1001 C HIS A 68 -2.724 8.137 -5.172 1.00 0.00 C ATOM 1002 O HIS A 68 -3.911 8.384 -5.385 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.609 10.365 -4.957 1.00 0.00 C ATOM 1004 CG HIS A 68 -0.745 11.289 -4.155 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -1.045 11.670 -2.864 1.00 0.00 N ATOM 1006 CD2 HIS A 68 0.418 11.907 -4.467 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.106 12.484 -2.418 1.00 0.00 C ATOM 1008 NE2 HIS A 68 0.795 12.644 -3.371 1.00 0.00 N ATOM 0 H HIS A 68 0.198 8.921 -4.106 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.455 9.221 -3.348 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.127 10.170 -5.915 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.556 10.861 -5.171 1.00 0.00 H new ATOM 0 HD2 HIS A 68 0.951 11.834 -5.404 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.079 12.941 -1.440 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.634 13.221 -3.304 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.096 7.095 -5.706 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.779 6.161 -6.593 1.00 0.00 C ATOM 1019 C LYS A 69 -2.975 4.810 -5.913 1.00 0.00 C ATOM 1020 O LYS A 69 -2.620 4.634 -4.748 1.00 0.00 O ATOM 1021 CB LYS A 69 -1.984 5.981 -7.888 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.304 7.021 -8.947 1.00 0.00 C ATOM 1023 CD LYS A 69 -3.595 6.694 -9.679 1.00 0.00 C ATOM 1024 CE LYS A 69 -4.142 7.907 -10.415 1.00 0.00 C ATOM 1025 NZ LYS A 69 -4.602 8.966 -9.474 1.00 0.00 N ATOM 0 H LYS A 69 -1.114 6.876 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.759 6.575 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.919 6.023 -7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.184 4.989 -8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.388 8.002 -8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.484 7.077 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.417 5.886 -10.389 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.337 6.334 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.371 8.313 -11.070 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.972 7.601 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.272 9.596 -9.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.072 8.525 -8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.784 9.518 -9.146 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.542 3.859 -6.648 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.785 2.524 -6.115 1.00 0.00 C ATOM 1041 C GLN A 70 -2.474 1.766 -5.929 1.00 0.00 C ATOM 1042 O GLN A 70 -2.419 0.765 -5.214 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.713 1.741 -7.045 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.560 0.233 -6.929 1.00 0.00 C ATOM 1045 CD GLN A 70 -5.670 -0.522 -7.633 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -6.636 0.074 -8.110 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -5.538 -1.842 -7.701 1.00 0.00 N ATOM 0 H GLN A 70 -3.842 3.988 -7.614 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.264 2.630 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.746 2.011 -6.825 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.518 2.039 -8.075 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.600 -0.064 -7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.547 -0.047 -5.876 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.721 -2.295 -7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -6.254 -2.403 -8.162 1.00 0.00 H new ATOM 1056 N THR A 71 -1.419 2.249 -6.578 1.00 0.00 N ATOM 1057 CA THR A 71 -0.109 1.617 -6.485 1.00 0.00 C ATOM 1058 C THR A 71 0.925 2.576 -5.908 1.00 0.00 C ATOM 1059 O THR A 71 0.949 3.760 -6.250 1.00 0.00 O ATOM 1060 CB THR A 71 0.376 1.126 -7.862 1.00 0.00 C ATOM 1061 OG1 THR A 71 -0.109 1.996 -8.891 1.00 0.00 O ATOM 1062 CG2 THR A 71 -0.099 -0.295 -8.128 1.00 0.00 C ATOM 0 H THR A 71 -1.447 3.076 -7.174 1.00 0.00 H new ATOM 0 HA THR A 71 -0.218 0.761 -5.819 1.00 0.00 H new ATOM 0 HB THR A 71 1.466 1.135 -7.863 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.205 1.678 -9.763 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.256 -0.620 -9.106 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.295 -0.960 -7.360 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.188 -0.324 -8.109 1.00 0.00 H new ATOM 1070 N LEU A 72 1.779 2.060 -5.031 1.00 0.00 N ATOM 1071 CA LEU A 72 2.817 2.872 -4.406 1.00 0.00 C ATOM 1072 C LEU A 72 4.205 2.386 -4.810 1.00 0.00 C ATOM 1073 O LEU A 72 4.547 1.220 -4.616 1.00 0.00 O ATOM 1074 CB LEU A 72 2.675 2.833 -2.883 1.00 0.00 C ATOM 1075 CG LEU A 72 3.793 3.507 -2.087 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.988 4.942 -2.550 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.489 3.461 -0.597 1.00 0.00 C ATOM 0 H LEU A 72 1.773 1.083 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 72 2.697 3.899 -4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.730 3.305 -2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.611 1.791 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 72 4.720 2.961 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.788 5.405 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.253 4.950 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.064 5.501 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.295 3.945 -0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.552 3.982 -0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.402 2.423 -0.275 1.00 0.00 H new ATOM 1089 N ASN A 73 5.002 3.289 -5.372 1.00 0.00 N ATOM 1090 CA ASN A 73 6.354 2.953 -5.803 1.00 0.00 C ATOM 1091 C ASN A 73 7.392 3.696 -4.967 1.00 0.00 C ATOM 1092 O ASN A 73 7.315 4.914 -4.800 1.00 0.00 O ATOM 1093 CB ASN A 73 6.540 3.291 -7.284 1.00 0.00 C ATOM 1094 CG ASN A 73 5.239 3.216 -8.061 1.00 0.00 C ATOM 1095 OD1 ASN A 73 4.844 4.174 -8.725 1.00 0.00 O ATOM 1096 ND2 ASN A 73 4.568 2.074 -7.980 1.00 0.00 N ATOM 0 H ASN A 73 4.735 4.259 -5.540 1.00 0.00 H new ATOM 0 HA ASN A 73 6.497 1.882 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.958 4.294 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.263 2.603 -7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.686 1.964 -8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.934 1.306 -7.417 1.00 0.00 H new ATOM 1103 N LEU A 74 8.362 2.955 -4.443 1.00 0.00 N ATOM 1104 CA LEU A 74 9.417 3.542 -3.624 1.00 0.00 C ATOM 1105 C LEU A 74 10.761 3.483 -4.343 1.00 0.00 C ATOM 1106 O LEU A 74 10.932 2.728 -5.299 1.00 0.00 O ATOM 1107 CB LEU A 74 9.511 2.816 -2.281 1.00 0.00 C ATOM 1108 CG LEU A 74 8.623 3.358 -1.161 1.00 0.00 C ATOM 1109 CD1 LEU A 74 7.178 2.933 -1.372 1.00 0.00 C ATOM 1110 CD2 LEU A 74 9.127 2.886 0.195 1.00 0.00 C ATOM 0 H LEU A 74 8.440 1.946 -4.571 1.00 0.00 H new ATOM 0 HA LEU A 74 9.166 4.588 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.261 1.767 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.547 2.850 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 74 8.667 4.447 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.561 3.328 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.820 3.321 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.116 1.845 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.483 3.281 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.114 1.797 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.146 3.241 0.348 1.00 0.00 H new ATOM 1122 N SER A 75 11.713 4.284 -3.874 1.00 0.00 N ATOM 1123 CA SER A 75 13.042 4.324 -4.473 1.00 0.00 C ATOM 1124 C SER A 75 14.107 4.588 -3.413 1.00 0.00 C ATOM 1125 O SER A 75 13.791 4.866 -2.257 1.00 0.00 O ATOM 1126 CB SER A 75 13.104 5.404 -5.555 1.00 0.00 C ATOM 1127 OG SER A 75 12.699 6.662 -5.044 1.00 0.00 O ATOM 0 H SER A 75 11.589 4.914 -3.081 1.00 0.00 H new ATOM 0 HA SER A 75 13.239 3.353 -4.927 1.00 0.00 H new ATOM 0 HB2 SER A 75 14.120 5.476 -5.944 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.462 5.124 -6.390 1.00 0.00 H new ATOM 0 HG SER A 75 12.749 7.335 -5.754 1.00 0.00 H new ATOM 1133 N GLN A 76 15.370 4.497 -3.817 1.00 0.00 N ATOM 1134 CA GLN A 76 16.483 4.725 -2.903 1.00 0.00 C ATOM 1135 C GLN A 76 16.175 4.160 -1.520 1.00 0.00 C ATOM 1136 O GLN A 76 16.527 4.757 -0.501 1.00 0.00 O ATOM 1137 CB GLN A 76 16.788 6.220 -2.800 1.00 0.00 C ATOM 1138 CG GLN A 76 17.170 6.856 -4.127 1.00 0.00 C ATOM 1139 CD GLN A 76 17.256 8.367 -4.046 1.00 0.00 C ATOM 1140 OE1 GLN A 76 16.940 8.965 -3.017 1.00 0.00 O ATOM 1141 NE2 GLN A 76 17.685 8.995 -5.135 1.00 0.00 N ATOM 0 H GLN A 76 15.648 4.267 -4.771 1.00 0.00 H new ATOM 0 HA GLN A 76 17.358 4.210 -3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.914 6.734 -2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.600 6.368 -2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 76 18.131 6.458 -4.453 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.436 6.578 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 76 17.936 8.460 -5.966 1.00 0.00 H new ATOM 0 HE22 GLN A 76 17.763 10.012 -5.140 1.00 0.00 H new ATOM 1150 N LEU A 77 15.516 3.007 -1.490 1.00 0.00 N ATOM 1151 CA LEU A 77 15.160 2.362 -0.232 1.00 0.00 C ATOM 1152 C LEU A 77 16.393 1.775 0.447 1.00 0.00 C ATOM 1153 O LEU A 77 17.207 1.108 -0.191 1.00 0.00 O ATOM 1154 CB LEU A 77 14.126 1.261 -0.475 1.00 0.00 C ATOM 1155 CG LEU A 77 12.674 1.721 -0.609 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.879 0.740 -1.457 1.00 0.00 C ATOM 1157 CD2 LEU A 77 12.036 1.882 0.763 1.00 0.00 C ATOM 0 H LEU A 77 15.217 2.500 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 77 14.730 3.117 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.402 0.726 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.185 0.547 0.346 1.00 0.00 H new ATOM 0 HG LEU A 77 12.665 2.690 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.848 1.084 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.322 0.676 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.896 -0.244 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.003 2.210 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.057 0.927 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.590 2.624 1.337 1.00 0.00 H new ATOM 1169 N SER A 78 16.524 2.027 1.746 1.00 0.00 N ATOM 1170 CA SER A 78 17.659 1.526 2.512 1.00 0.00 C ATOM 1171 C SER A 78 17.376 0.126 3.048 1.00 0.00 C ATOM 1172 O SER A 78 16.254 -0.372 2.956 1.00 0.00 O ATOM 1173 CB SER A 78 17.978 2.473 3.670 1.00 0.00 C ATOM 1174 OG SER A 78 19.352 2.418 4.010 1.00 0.00 O ATOM 0 H SER A 78 15.858 2.575 2.290 1.00 0.00 H new ATOM 0 HA SER A 78 18.521 1.475 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.709 3.493 3.395 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.374 2.207 4.538 1.00 0.00 H new ATOM 0 HG SER A 78 19.530 3.033 4.751 1.00 0.00 H new ATOM 1180 N VAL A 79 18.403 -0.505 3.609 1.00 0.00 N ATOM 1181 CA VAL A 79 18.267 -1.847 4.161 1.00 0.00 C ATOM 1182 C VAL A 79 17.503 -1.823 5.480 1.00 0.00 C ATOM 1183 O VAL A 79 18.005 -1.336 6.492 1.00 0.00 O ATOM 1184 CB VAL A 79 19.642 -2.502 4.389 1.00 0.00 C ATOM 1185 CG1 VAL A 79 20.411 -1.767 5.477 1.00 0.00 C ATOM 1186 CG2 VAL A 79 19.479 -3.973 4.742 1.00 0.00 C ATOM 0 H VAL A 79 19.339 -0.108 3.693 1.00 0.00 H new ATOM 0 HA VAL A 79 17.709 -2.435 3.432 1.00 0.00 H new ATOM 0 HB VAL A 79 20.215 -2.434 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 79 21.380 -2.245 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 79 20.559 -0.729 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 79 19.845 -1.800 6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 79 20.460 -4.420 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 79 18.888 -4.065 5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 79 18.972 -4.489 3.927 1.00 0.00 H new ATOM 1196 N GLY A 80 16.284 -2.354 5.461 1.00 0.00 N ATOM 1197 CA GLY A 80 15.469 -2.385 6.662 1.00 0.00 C ATOM 1198 C GLY A 80 14.021 -2.725 6.371 1.00 0.00 C ATOM 1199 O GLY A 80 13.632 -2.881 5.212 1.00 0.00 O ATOM 0 H GLY A 80 15.846 -2.763 4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.879 -3.118 7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.519 -1.415 7.156 1.00 0.00 H new ATOM 1203 N LEU A 81 13.219 -2.841 7.424 1.00 0.00 N ATOM 1204 CA LEU A 81 11.805 -3.167 7.276 1.00 0.00 C ATOM 1205 C LEU A 81 10.968 -1.901 7.124 1.00 0.00 C ATOM 1206 O LEU A 81 11.247 -0.880 7.754 1.00 0.00 O ATOM 1207 CB LEU A 81 11.318 -3.972 8.483 1.00 0.00 C ATOM 1208 CG LEU A 81 9.882 -4.492 8.408 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.716 -5.430 7.223 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.500 -5.192 9.704 1.00 0.00 C ATOM 0 H LEU A 81 13.524 -2.714 8.389 1.00 0.00 H new ATOM 0 HA LEU A 81 11.688 -3.769 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.985 -4.823 8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.411 -3.348 9.372 1.00 0.00 H new ATOM 0 HG LEU A 81 9.214 -3.642 8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.688 -5.790 7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.947 -4.896 6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.394 -6.277 7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.475 -5.556 9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.172 -6.033 9.875 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.579 -4.490 10.534 1.00 0.00 H new ATOM 1222 N TYR A 82 9.940 -1.975 6.286 1.00 0.00 N ATOM 1223 CA TYR A 82 9.061 -0.835 6.051 1.00 0.00 C ATOM 1224 C TYR A 82 7.614 -1.288 5.885 1.00 0.00 C ATOM 1225 O TYR A 82 7.252 -1.889 4.873 1.00 0.00 O ATOM 1226 CB TYR A 82 9.513 -0.065 4.809 1.00 0.00 C ATOM 1227 CG TYR A 82 10.965 0.354 4.851 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.377 1.428 5.631 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.925 -0.324 4.111 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.702 1.814 5.672 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.253 0.055 4.147 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.637 1.125 4.928 1.00 0.00 C ATOM 1233 OH TYR A 82 14.958 1.506 4.967 1.00 0.00 O ATOM 0 H TYR A 82 9.695 -2.812 5.758 1.00 0.00 H new ATOM 0 HA TYR A 82 9.119 -0.178 6.919 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.348 -0.685 3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.891 0.823 4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.648 1.970 6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.628 -1.162 3.497 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.005 2.651 6.283 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.987 -0.484 3.566 1.00 0.00 H new ATOM 0 HH TYR A 82 15.023 2.475 4.834 1.00 0.00 H new ATOM 1243 N VAL A 83 6.790 -0.994 6.885 1.00 0.00 N ATOM 1244 CA VAL A 83 5.381 -1.368 6.850 1.00 0.00 C ATOM 1245 C VAL A 83 4.510 -0.191 6.425 1.00 0.00 C ATOM 1246 O VAL A 83 4.283 0.739 7.199 1.00 0.00 O ATOM 1247 CB VAL A 83 4.902 -1.878 8.223 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.466 -2.373 8.137 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.823 -2.974 8.735 1.00 0.00 C ATOM 0 H VAL A 83 7.074 -0.498 7.730 1.00 0.00 H new ATOM 0 HA VAL A 83 5.284 -2.170 6.118 1.00 0.00 H new ATOM 0 HB VAL A 83 4.934 -1.049 8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.145 -2.729 9.116 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.818 -1.557 7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.405 -3.188 7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.470 -3.322 9.706 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.826 -3.805 8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.835 -2.581 8.837 1.00 0.00 H new ATOM 1259 N PHE A 84 4.024 -0.238 5.189 1.00 0.00 N ATOM 1260 CA PHE A 84 3.177 0.825 4.660 1.00 0.00 C ATOM 1261 C PHE A 84 1.701 0.463 4.796 1.00 0.00 C ATOM 1262 O PHE A 84 1.303 -0.675 4.545 1.00 0.00 O ATOM 1263 CB PHE A 84 3.515 1.091 3.191 1.00 0.00 C ATOM 1264 CG PHE A 84 4.988 1.049 2.898 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.816 2.088 3.292 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.544 -0.029 2.229 1.00 0.00 C ATOM 1267 CE1 PHE A 84 7.171 2.052 3.023 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.899 -0.070 1.957 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.713 0.972 2.355 1.00 0.00 C ATOM 0 H PHE A 84 4.202 -1.000 4.535 1.00 0.00 H new ATOM 0 HA PHE A 84 3.366 1.729 5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.008 0.352 2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.124 2.068 2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.398 2.935 3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.912 -0.847 1.916 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.806 2.868 3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.320 -0.916 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.772 0.942 2.144 1.00 0.00 H new ATOM 1279 N LYS A 85 0.894 1.439 5.196 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.539 1.227 5.366 1.00 0.00 C ATOM 1281 C LYS A 85 -1.336 2.084 4.388 1.00 0.00 C ATOM 1282 O LYS A 85 -1.110 3.289 4.276 1.00 0.00 O ATOM 1283 CB LYS A 85 -0.956 1.551 6.802 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.460 1.527 7.018 1.00 0.00 C ATOM 1285 CD LYS A 85 -2.813 1.639 8.492 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.958 3.090 8.922 1.00 0.00 C ATOM 1287 NZ LYS A 85 -4.286 3.650 8.547 1.00 0.00 N ATOM 0 H LYS A 85 1.208 2.386 5.409 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.753 0.178 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.489 0.835 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.575 2.537 7.069 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.921 2.348 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -2.872 0.603 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.744 1.106 8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.040 1.157 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.824 3.164 10.001 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.170 3.686 8.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.501 4.469 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.268 3.950 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.018 2.923 8.676 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.270 1.456 3.682 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.103 2.162 2.715 1.00 0.00 C ATOM 1303 C VAL A 86 -4.551 2.234 3.186 1.00 0.00 C ATOM 1304 O VAL A 86 -5.256 1.225 3.221 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.057 1.483 1.334 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.542 0.044 1.429 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -3.885 2.267 0.327 1.00 0.00 C ATOM 0 H VAL A 86 -2.469 0.459 3.761 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.702 3.172 2.629 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.023 1.471 0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.502 -0.419 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.903 -0.511 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.568 0.029 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.841 1.773 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.920 2.313 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.487 3.278 0.238 1.00 0.00 H new ATOM 1317 N THR A 87 -4.990 3.435 3.549 1.00 0.00 N ATOM 1318 CA THR A 87 -6.355 3.640 4.019 1.00 0.00 C ATOM 1319 C THR A 87 -7.280 4.027 2.870 1.00 0.00 C ATOM 1320 O THR A 87 -7.238 5.155 2.379 1.00 0.00 O ATOM 1321 CB THR A 87 -6.417 4.733 5.103 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.193 4.756 5.846 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.585 4.492 6.047 1.00 0.00 C ATOM 0 H THR A 87 -4.420 4.281 3.527 1.00 0.00 H new ATOM 0 HA THR A 87 -6.688 2.694 4.447 1.00 0.00 H new ATOM 0 HB THR A 87 -6.560 5.695 4.611 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.240 5.454 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.609 5.276 6.804 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.517 4.504 5.483 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.467 3.523 6.532 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.115 3.084 2.446 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.052 3.326 1.356 1.00 0.00 C ATOM 1333 C VAL A 88 -10.493 3.288 1.852 1.00 0.00 C ATOM 1334 O VAL A 88 -10.984 2.246 2.286 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.881 2.291 0.228 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.056 2.353 -0.736 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.567 2.515 -0.505 1.00 0.00 C ATOM 0 H VAL A 88 -8.162 2.145 2.841 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.832 4.319 0.964 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.858 1.296 0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.918 1.615 -1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.980 2.140 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.114 3.349 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.462 1.775 -1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.558 3.515 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.738 2.415 0.196 1.00 0.00 H new ATOM 1347 N SER A 89 -11.167 4.432 1.784 1.00 0.00 N ATOM 1348 CA SER A 89 -12.552 4.530 2.229 1.00 0.00 C ATOM 1349 C SER A 89 -13.383 5.346 1.243 1.00 0.00 C ATOM 1350 O SER A 89 -12.888 6.294 0.632 1.00 0.00 O ATOM 1351 CB SER A 89 -12.620 5.166 3.619 1.00 0.00 C ATOM 1352 OG SER A 89 -11.988 6.434 3.630 1.00 0.00 O ATOM 0 H SER A 89 -10.776 5.303 1.425 1.00 0.00 H new ATOM 0 HA SER A 89 -12.964 3.522 2.278 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.661 5.272 3.923 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.141 4.511 4.346 1.00 0.00 H new ATOM 0 HG SER A 89 -12.046 6.821 4.529 1.00 0.00 H new ATOM 1358 N SER A 90 -14.649 4.971 1.093 1.00 0.00 N ATOM 1359 CA SER A 90 -15.549 5.665 0.179 1.00 0.00 C ATOM 1360 C SER A 90 -16.635 6.412 0.948 1.00 0.00 C ATOM 1361 O SER A 90 -16.658 6.400 2.178 1.00 0.00 O ATOM 1362 CB SER A 90 -16.188 4.671 -0.793 1.00 0.00 C ATOM 1363 OG SER A 90 -17.383 4.131 -0.257 1.00 0.00 O ATOM 0 H SER A 90 -15.075 4.190 1.593 1.00 0.00 H new ATOM 0 HA SER A 90 -14.964 6.391 -0.386 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.402 5.169 -1.739 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.486 3.866 -1.009 1.00 0.00 H new ATOM 0 HG SER A 90 -17.601 3.295 -0.720 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.532 7.061 0.212 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.620 7.814 0.825 1.00 0.00 C ATOM 1371 C GLU A 91 -19.312 6.989 1.906 1.00 0.00 C ATOM 1372 O GLU A 91 -19.490 7.448 3.033 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.637 8.239 -0.237 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.816 9.015 0.325 1.00 0.00 C ATOM 1375 CD GLU A 91 -20.388 10.249 1.095 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -19.856 11.187 0.464 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -20.585 10.279 2.328 1.00 0.00 O ATOM 0 H GLU A 91 -17.527 7.080 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.195 8.704 1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.134 8.851 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -20.008 7.351 -0.749 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.474 9.311 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -21.395 8.365 0.981 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.700 5.768 1.552 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.373 4.878 2.491 1.00 0.00 C ATOM 1386 C ASN A 92 -19.576 3.593 2.690 1.00 0.00 C ATOM 1387 O ASN A 92 -20.147 2.515 2.854 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.781 4.547 1.992 1.00 0.00 C ATOM 1389 CG ASN A 92 -21.812 4.251 0.505 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -22.440 4.973 -0.270 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -21.133 3.185 0.099 1.00 0.00 N ATOM 0 H ASN A 92 -19.560 5.373 0.622 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.446 5.391 3.450 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -22.165 3.686 2.539 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.446 5.383 2.207 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -21.118 2.936 -0.890 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -20.626 2.615 0.776 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.253 3.715 2.675 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.377 2.564 2.856 1.00 0.00 C ATOM 1400 C ALA A 93 -16.042 2.980 3.464 1.00 0.00 C ATOM 1401 O ALA A 93 -15.623 4.131 3.338 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.157 1.855 1.528 1.00 0.00 C ATOM 0 H ALA A 93 -17.764 4.600 2.539 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.862 1.875 3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.501 0.997 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.115 1.515 1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.697 2.544 0.819 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.378 2.038 4.125 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.091 2.307 4.754 1.00 0.00 C ATOM 1410 C PHE A 94 -13.253 1.035 4.846 1.00 0.00 C ATOM 1411 O PHE A 94 -13.714 0.010 5.346 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.295 2.899 6.150 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.025 3.383 6.788 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -12.062 2.483 7.216 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -12.793 4.738 6.959 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.893 2.926 7.804 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -11.625 5.187 7.547 1.00 0.00 C ATOM 1418 CZ PHE A 94 -10.673 4.279 7.969 1.00 0.00 C ATOM 0 H PHE A 94 -15.711 1.081 4.239 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.557 3.028 4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.998 3.729 6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.750 2.145 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.227 1.423 7.088 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.533 5.452 6.629 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.151 2.214 8.135 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.457 6.246 7.676 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.759 4.627 8.427 1.00 0.00 H new ATOM 1428 N GLY A 95 -12.018 1.110 4.359 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.135 -0.041 4.395 1.00 0.00 C ATOM 1430 C GLY A 95 -9.672 0.351 4.446 1.00 0.00 C ATOM 1431 O GLY A 95 -9.327 1.512 4.229 1.00 0.00 O ATOM 0 H GLY A 95 -11.613 1.947 3.940 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.375 -0.652 5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.312 -0.658 3.514 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.811 -0.619 4.737 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.377 -0.367 4.820 1.00 0.00 C ATOM 1437 C GLU A 96 -6.596 -1.677 4.865 1.00 0.00 C ATOM 1438 O GLU A 96 -7.106 -2.701 5.317 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.055 0.475 6.056 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.726 -0.025 7.324 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.010 -1.216 7.933 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -5.916 -1.565 7.443 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -7.545 -1.798 8.900 1.00 0.00 O ATOM 0 H GLU A 96 -9.081 -1.586 4.919 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.079 0.183 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.975 0.486 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -7.362 1.505 5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.763 0.784 8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.757 -0.301 7.101 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.354 -1.636 4.391 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.522 -2.825 4.385 1.00 0.00 C ATOM 1452 C GLY A 97 -3.165 -2.586 5.015 1.00 0.00 C ATOM 1453 O GLY A 97 -2.859 -1.474 5.446 1.00 0.00 O ATOM 0 H GLY A 97 -4.909 -0.800 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.033 -3.625 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.388 -3.165 3.358 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.348 -3.632 5.071 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.016 -3.532 5.656 1.00 0.00 C ATOM 1459 C PHE A 98 -0.009 -4.356 4.860 1.00 0.00 C ATOM 1460 O PHE A 98 -0.179 -5.563 4.682 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.038 -4.001 7.112 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.584 -2.976 8.064 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -2.951 -2.825 8.233 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -0.730 -2.162 8.791 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -3.455 -1.882 9.108 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.228 -1.217 9.668 1.00 0.00 C ATOM 1467 CZ PHE A 98 -2.593 -1.077 9.827 1.00 0.00 C ATOM 0 H PHE A 98 -2.585 -4.559 4.718 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.710 -2.486 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.638 -4.908 7.184 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.025 -4.264 7.416 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.630 -3.452 7.674 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.338 -2.267 8.671 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.523 -1.774 9.230 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.551 -0.589 10.228 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.985 -0.340 10.512 1.00 0.00 H new ATOM 1477 N VAL A 99 1.042 -3.696 4.382 1.00 0.00 N ATOM 1478 CA VAL A 99 2.077 -4.366 3.605 1.00 0.00 C ATOM 1479 C VAL A 99 3.468 -3.934 4.055 1.00 0.00 C ATOM 1480 O VAL A 99 3.726 -2.749 4.256 1.00 0.00 O ATOM 1481 CB VAL A 99 1.925 -4.078 2.100 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.276 -2.630 1.795 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.790 -5.028 1.285 1.00 0.00 C ATOM 0 H VAL A 99 1.198 -2.698 4.520 1.00 0.00 H new ATOM 0 HA VAL A 99 1.958 -5.436 3.776 1.00 0.00 H new ATOM 0 HB VAL A 99 0.884 -4.241 1.820 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.163 -2.445 0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.610 -1.969 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.307 -2.436 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.670 -4.810 0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.835 -4.900 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.485 -6.056 1.481 1.00 0.00 H new ATOM 1493 N ASN A 100 4.362 -4.906 4.212 1.00 0.00 N ATOM 1494 CA ASN A 100 5.728 -4.626 4.639 1.00 0.00 C ATOM 1495 C ASN A 100 6.727 -5.020 3.556 1.00 0.00 C ATOM 1496 O ASN A 100 6.527 -5.999 2.837 1.00 0.00 O ATOM 1497 CB ASN A 100 6.042 -5.376 5.936 1.00 0.00 C ATOM 1498 CG ASN A 100 6.071 -6.880 5.742 1.00 0.00 C ATOM 1499 OD1 ASN A 100 5.760 -7.384 4.662 1.00 0.00 O ATOM 1500 ND2 ASN A 100 6.446 -7.604 6.790 1.00 0.00 N ATOM 0 H ASN A 100 4.165 -5.894 4.050 1.00 0.00 H new ATOM 0 HA ASN A 100 5.815 -3.554 4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 100 7.006 -5.043 6.320 1.00 0.00 H new ATOM 0 HB3 ASN A 100 5.295 -5.124 6.688 1.00 0.00 H new ATOM 0 HD21 ASN A 100 6.485 -8.621 6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.695 -7.143 7.665 1.00 0.00 H new ATOM 1507 N VAL A 101 7.805 -4.249 3.445 1.00 0.00 N ATOM 1508 CA VAL A 101 8.838 -4.518 2.452 1.00 0.00 C ATOM 1509 C VAL A 101 10.224 -4.527 3.087 1.00 0.00 C ATOM 1510 O VAL A 101 10.679 -3.517 3.626 1.00 0.00 O ATOM 1511 CB VAL A 101 8.812 -3.474 1.319 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.860 -3.801 0.267 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.425 -3.398 0.697 1.00 0.00 C ATOM 0 H VAL A 101 7.985 -3.433 4.031 1.00 0.00 H new ATOM 0 HA VAL A 101 8.627 -5.503 2.035 1.00 0.00 H new ATOM 0 HB VAL A 101 9.050 -2.498 1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.826 -3.053 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.849 -3.800 0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.657 -4.785 -0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.424 -2.656 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.156 -4.372 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.700 -3.112 1.459 1.00 0.00 H new ATOM 1523 N THR A 102 10.891 -5.675 3.022 1.00 0.00 N ATOM 1524 CA THR A 102 12.225 -5.816 3.591 1.00 0.00 C ATOM 1525 C THR A 102 13.300 -5.632 2.526 1.00 0.00 C ATOM 1526 O THR A 102 13.209 -6.194 1.434 1.00 0.00 O ATOM 1527 CB THR A 102 12.408 -7.193 4.257 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.588 -7.285 5.427 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.864 -7.423 4.633 1.00 0.00 C ATOM 0 H THR A 102 10.529 -6.520 2.581 1.00 0.00 H new ATOM 0 HA THR A 102 12.330 -5.038 4.347 1.00 0.00 H new ATOM 0 HB THR A 102 12.108 -7.960 3.543 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.709 -8.164 5.843 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.969 -8.402 5.102 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.482 -7.382 3.736 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.186 -6.650 5.331 1.00 0.00 H new ATOM 1537 N VAL A 103 14.319 -4.843 2.850 1.00 0.00 N ATOM 1538 CA VAL A 103 15.414 -4.587 1.922 1.00 0.00 C ATOM 1539 C VAL A 103 16.695 -5.273 2.379 1.00 0.00 C ATOM 1540 O VAL A 103 17.054 -5.222 3.556 1.00 0.00 O ATOM 1541 CB VAL A 103 15.679 -3.077 1.770 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.854 -2.833 0.835 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.431 -2.365 1.268 1.00 0.00 C ATOM 0 H VAL A 103 14.409 -4.370 3.749 1.00 0.00 H new ATOM 0 HA VAL A 103 15.112 -4.995 0.957 1.00 0.00 H new ATOM 0 HB VAL A 103 15.933 -2.670 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 103 17.027 -1.761 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.747 -3.310 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.632 -3.253 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.636 -1.299 1.166 1.00 0.00 H new ATOM 0 HG22 VAL A 103 14.144 -2.773 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.618 -2.512 1.979 1.00 0.00 H new ATOM 1553 N LYS A 104 17.383 -5.916 1.442 1.00 0.00 N ATOM 1554 CA LYS A 104 18.628 -6.612 1.747 1.00 0.00 C ATOM 1555 C LYS A 104 19.834 -5.786 1.313 1.00 0.00 C ATOM 1556 O LYS A 104 19.780 -5.023 0.348 1.00 0.00 O ATOM 1557 CB LYS A 104 18.655 -7.977 1.055 1.00 0.00 C ATOM 1558 CG LYS A 104 17.472 -8.862 1.409 1.00 0.00 C ATOM 1559 CD LYS A 104 17.596 -9.422 2.816 1.00 0.00 C ATOM 1560 CE LYS A 104 16.513 -10.451 3.103 1.00 0.00 C ATOM 1561 NZ LYS A 104 16.853 -11.300 4.279 1.00 0.00 N ATOM 0 H LYS A 104 17.099 -5.970 0.464 1.00 0.00 H new ATOM 0 HA LYS A 104 18.679 -6.757 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.676 -7.827 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.577 -8.493 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.549 -8.288 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.404 -9.682 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.577 -9.880 2.941 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.529 -8.610 3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.567 -9.941 3.284 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.372 -11.084 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.091 -11.988 4.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.743 -11.806 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.963 -10.699 5.121 1.00 0.00 H new ATOM 1575 N PRO A 105 20.951 -5.941 2.039 1.00 0.00 N ATOM 1576 CA PRO A 105 22.192 -5.219 1.746 1.00 0.00 C ATOM 1577 C PRO A 105 22.849 -5.695 0.455 1.00 0.00 C ATOM 1578 O PRO A 105 22.762 -6.870 0.101 1.00 0.00 O ATOM 1579 CB PRO A 105 23.082 -5.541 2.949 1.00 0.00 C ATOM 1580 CG PRO A 105 22.569 -6.841 3.463 1.00 0.00 C ATOM 1581 CD PRO A 105 21.088 -6.833 3.203 1.00 0.00 C ATOM 0 HA PRO A 105 22.018 -4.153 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 105 24.130 -5.616 2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 105 23.018 -4.762 3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 105 23.050 -7.678 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.778 -6.950 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.712 -7.834 2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.531 -6.460 4.063 1.00 0.00 H new ATOM 1589 N ALA A 106 23.506 -4.775 -0.244 1.00 0.00 N ATOM 1590 CA ALA A 106 24.180 -5.102 -1.494 1.00 0.00 C ATOM 1591 C ALA A 106 25.226 -6.192 -1.285 1.00 0.00 C ATOM 1592 O ALA A 106 26.301 -5.937 -0.743 1.00 0.00 O ATOM 1593 CB ALA A 106 24.822 -3.858 -2.089 1.00 0.00 C ATOM 0 H ALA A 106 23.586 -3.797 0.035 1.00 0.00 H new ATOM 0 HA ALA A 106 23.434 -5.481 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.322 -4.117 -3.022 1.00 0.00 H new ATOM 0 HB2 ALA A 106 24.054 -3.110 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.551 -3.454 -1.387 1.00 0.00 H new