USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 123 LYS NZ :NH3+ -149:sc=-0.00616 (180deg=-0.163) USER MOD Set 2.1: A 98 TYR OH : rot -7:sc= -0.339 USER MOD Set 2.2: A 100 MET CE :methyl 167:sc= -1.14 (180deg=-0.652) USER MOD Set 3.1: A 38 ASN : amide:sc=-0.00553 X(o=-0.27,f=-0.042) USER MOD Set 3.2: A 61 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.042) USER MOD Single : A 13 ASN : amide:sc= -0.676 K(o=-0.68,f=-0.06) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -5.93! C(o=-5.9!,f=-4.1!) USER MOD Single : A 41 GLN : amide:sc= -2.49! C(o=-2.5!,f=-1.6!) USER MOD Single : A 42 TYR OH : rot -74:sc= 0.102 USER MOD Single : A 43 ASN : amide:sc= -7.82! C(o=-7.8!,f=-12!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.196 K(o=-0.2,f=-2!) USER MOD Single : A 60 LYS NZ :NH3+ 154:sc= -3.25 (180deg=-5.72!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 103:sc= 0.215 USER MOD Single : A 70 THR OG1 : rot 150:sc= -0.723 USER MOD Single : A 72 SER OG : rot 180:sc= -1.56! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0.00068) USER MOD Single : A 89 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.28) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 152:sc= -0.931! USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.45 USER MOD Single : A 103 THR OG1 : rot 170:sc= -0.079 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.793 K(o=-0.79,f=-0.18) USER MOD Single : A 109 MET CE :methyl 177:sc= -0.364 (180deg=-0.367) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -161:sc= 0.114 (180deg=0.0466) USER MOD Single : A 117 SER OG : rot 34:sc= 0.31 USER MOD Single : A 118 TYR OH : rot 180:sc= -3.82! USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 14.025 4.255 1.615 1.00 0.00 N ATOM 132 CA ASP A 10 13.276 5.297 0.833 1.00 0.00 C ATOM 133 C ASP A 10 12.296 4.617 -0.126 1.00 0.00 C ATOM 134 O ASP A 10 12.616 4.383 -1.276 1.00 0.00 O ATOM 135 CB ASP A 10 14.268 6.141 0.031 1.00 0.00 C ATOM 136 CG ASP A 10 14.836 7.249 0.920 1.00 0.00 C ATOM 137 OD1 ASP A 10 15.820 6.995 1.595 1.00 0.00 O ATOM 138 OD2 ASP A 10 14.277 8.334 0.910 1.00 0.00 O ATOM 0 HA ASP A 10 12.723 5.936 1.521 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.075 5.512 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.772 6.576 -0.837 1.00 0.00 H new ATOM 143 N ILE A 11 11.122 4.271 0.327 1.00 0.00 N ATOM 144 CA ILE A 11 10.184 3.586 -0.581 1.00 0.00 C ATOM 145 C ILE A 11 9.789 4.531 -1.694 1.00 0.00 C ATOM 146 O ILE A 11 10.111 4.308 -2.828 1.00 0.00 O ATOM 147 CB ILE A 11 8.917 3.149 0.125 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.141 2.818 1.601 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.377 1.918 -0.584 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.175 1.712 1.727 1.00 0.00 C ATOM 0 H ILE A 11 10.783 4.434 1.275 1.00 0.00 H new ATOM 0 HA ILE A 11 10.693 2.701 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 11 8.211 3.979 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.478 3.706 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.203 2.506 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.463 1.586 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.160 2.163 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.120 1.121 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.332 1.479 2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.821 0.822 1.207 1.00 0.00 H new ATOM 0 HD13 ILE A 11 11.115 2.041 1.284 1.00 0.00 H new ATOM 162 N GLU A 12 9.063 5.571 -1.368 1.00 0.00 N ATOM 163 CA GLU A 12 8.586 6.540 -2.403 1.00 0.00 C ATOM 164 C GLU A 12 9.644 6.772 -3.493 1.00 0.00 C ATOM 165 O GLU A 12 9.320 7.012 -4.640 1.00 0.00 O ATOM 166 CB GLU A 12 8.244 7.872 -1.729 1.00 0.00 C ATOM 167 CG GLU A 12 9.485 8.418 -1.020 1.00 0.00 C ATOM 168 CD GLU A 12 9.061 9.174 0.241 1.00 0.00 C ATOM 169 OE1 GLU A 12 8.566 10.280 0.105 1.00 0.00 O ATOM 170 OE2 GLU A 12 9.240 8.634 1.320 1.00 0.00 O ATOM 0 H GLU A 12 8.776 5.793 -0.415 1.00 0.00 H new ATOM 0 HA GLU A 12 7.701 6.119 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.892 8.588 -2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.435 7.732 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.157 7.600 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.036 9.082 -1.687 1.00 0.00 H new ATOM 177 N ASN A 13 10.901 6.682 -3.154 1.00 0.00 N ATOM 178 CA ASN A 13 11.963 6.876 -4.182 1.00 0.00 C ATOM 179 C ASN A 13 12.047 5.614 -5.044 1.00 0.00 C ATOM 180 O ASN A 13 12.021 5.671 -6.255 1.00 0.00 O ATOM 181 CB ASN A 13 13.305 7.112 -3.486 1.00 0.00 C ATOM 182 CG ASN A 13 14.352 7.533 -4.518 1.00 0.00 C ATOM 183 OD1 ASN A 13 14.707 8.692 -4.602 1.00 0.00 O ATOM 184 ND2 ASN A 13 14.867 6.635 -5.313 1.00 0.00 N ATOM 0 H ASN A 13 11.238 6.483 -2.212 1.00 0.00 H new ATOM 0 HA ASN A 13 11.727 7.737 -4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.200 7.884 -2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.627 6.203 -2.977 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.567 6.907 -6.004 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.570 5.662 -5.243 1.00 0.00 H new ATOM 191 N THR A 14 12.142 4.474 -4.416 1.00 0.00 N ATOM 192 CA THR A 14 12.219 3.185 -5.169 1.00 0.00 C ATOM 193 C THR A 14 10.884 2.919 -5.885 1.00 0.00 C ATOM 194 O THR A 14 10.795 2.075 -6.753 1.00 0.00 O ATOM 195 CB THR A 14 12.503 2.054 -4.160 1.00 0.00 C ATOM 196 OG1 THR A 14 13.873 2.097 -3.788 1.00 0.00 O ATOM 197 CG2 THR A 14 12.185 0.680 -4.770 1.00 0.00 C ATOM 0 H THR A 14 12.170 4.378 -3.401 1.00 0.00 H new ATOM 0 HA THR A 14 13.012 3.233 -5.916 1.00 0.00 H new ATOM 0 HB THR A 14 11.868 2.198 -3.286 1.00 0.00 H new ATOM 0 HG1 THR A 14 14.060 1.381 -3.145 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.394 -0.100 -4.038 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.133 0.641 -5.051 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.803 0.523 -5.654 1.00 0.00 H new ATOM 205 N LEU A 15 9.850 3.619 -5.520 1.00 0.00 N ATOM 206 CA LEU A 15 8.532 3.395 -6.165 1.00 0.00 C ATOM 207 C LEU A 15 8.336 4.426 -7.279 1.00 0.00 C ATOM 208 O LEU A 15 7.619 4.198 -8.232 1.00 0.00 O ATOM 209 CB LEU A 15 7.421 3.540 -5.112 1.00 0.00 C ATOM 210 CG LEU A 15 7.761 2.751 -3.849 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.912 3.281 -2.694 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.445 1.273 -4.059 1.00 0.00 C ATOM 0 H LEU A 15 9.862 4.340 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 15 8.491 2.393 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.286 4.592 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.476 3.186 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 15 8.822 2.864 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.146 2.725 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.128 4.338 -2.539 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.856 3.158 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.690 0.716 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.384 1.156 -4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.035 0.890 -4.892 1.00 0.00 H new ATOM 224 N ALA A 16 8.969 5.563 -7.162 1.00 0.00 N ATOM 225 CA ALA A 16 8.821 6.614 -8.209 1.00 0.00 C ATOM 226 C ALA A 16 9.976 6.529 -9.216 1.00 0.00 C ATOM 227 O ALA A 16 9.948 7.169 -10.249 1.00 0.00 O ATOM 228 CB ALA A 16 8.833 7.994 -7.546 1.00 0.00 C ATOM 0 H ALA A 16 9.583 5.809 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 16 7.879 6.459 -8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.725 8.765 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.007 8.065 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 16 9.776 8.136 -7.018 1.00 0.00 H new ATOM 340 N ASP A 24 9.857 -5.425 -5.560 1.00 0.00 N ATOM 341 CA ASP A 24 9.180 -6.696 -5.173 1.00 0.00 C ATOM 342 C ASP A 24 10.011 -7.444 -4.118 1.00 0.00 C ATOM 343 O ASP A 24 9.608 -8.478 -3.622 1.00 0.00 O ATOM 344 CB ASP A 24 9.017 -7.581 -6.412 1.00 0.00 C ATOM 345 CG ASP A 24 10.397 -7.951 -6.962 1.00 0.00 C ATOM 346 OD1 ASP A 24 11.105 -8.677 -6.285 1.00 0.00 O ATOM 347 OD2 ASP A 24 10.720 -7.501 -8.048 1.00 0.00 O ATOM 0 HA ASP A 24 8.202 -6.462 -4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.462 -8.484 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.439 -7.056 -7.173 1.00 0.00 H new ATOM 352 N GLY A 25 11.163 -6.936 -3.769 1.00 0.00 N ATOM 353 CA GLY A 25 12.004 -7.625 -2.749 1.00 0.00 C ATOM 354 C GLY A 25 11.836 -6.923 -1.404 1.00 0.00 C ATOM 355 O GLY A 25 12.764 -6.818 -0.626 1.00 0.00 O ATOM 0 H GLY A 25 11.557 -6.074 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.711 -8.672 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.051 -7.610 -3.053 1.00 0.00 H new ATOM 359 N LEU A 26 10.660 -6.437 -1.127 1.00 0.00 N ATOM 360 CA LEU A 26 10.426 -5.736 0.158 1.00 0.00 C ATOM 361 C LEU A 26 9.433 -6.536 1.001 1.00 0.00 C ATOM 362 O LEU A 26 8.407 -6.981 0.528 1.00 0.00 O ATOM 363 CB LEU A 26 9.846 -4.340 -0.108 1.00 0.00 C ATOM 364 CG LEU A 26 10.576 -3.683 -1.283 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.839 -2.406 -1.696 1.00 0.00 C ATOM 366 CD2 LEU A 26 12.003 -3.329 -0.863 1.00 0.00 C ATOM 0 H LEU A 26 9.848 -6.497 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 26 11.373 -5.642 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.781 -4.416 -0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.944 -3.721 0.784 1.00 0.00 H new ATOM 0 HG LEU A 26 10.603 -4.376 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.360 -1.940 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.821 -2.654 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.811 -1.714 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.523 -2.861 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.973 -2.637 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 26 12.531 -4.236 -0.569 1.00 0.00 H new ATOM 378 N ALA A 27 9.734 -6.696 2.257 1.00 0.00 N ATOM 379 CA ALA A 27 8.817 -7.444 3.172 1.00 0.00 C ATOM 380 C ALA A 27 7.528 -6.634 3.394 1.00 0.00 C ATOM 381 O ALA A 27 6.580 -7.102 4.006 1.00 0.00 O ATOM 382 CB ALA A 27 9.514 -7.670 4.515 1.00 0.00 C ATOM 0 H ALA A 27 10.582 -6.339 2.697 1.00 0.00 H new ATOM 0 HA ALA A 27 8.565 -8.405 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.848 -8.215 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.425 -8.248 4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.767 -6.708 4.960 1.00 0.00 H new ATOM 388 N PHE A 28 7.479 -5.426 2.897 1.00 0.00 N ATOM 389 CA PHE A 28 6.258 -4.599 3.064 1.00 0.00 C ATOM 390 C PHE A 28 5.779 -4.170 1.686 1.00 0.00 C ATOM 391 O PHE A 28 6.439 -3.422 0.991 1.00 0.00 O ATOM 392 CB PHE A 28 6.571 -3.343 3.884 1.00 0.00 C ATOM 393 CG PHE A 28 7.851 -2.732 3.352 1.00 0.00 C ATOM 394 CD1 PHE A 28 9.091 -3.267 3.718 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.790 -1.659 2.460 1.00 0.00 C ATOM 396 CE1 PHE A 28 10.274 -2.725 3.193 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.971 -1.120 1.927 1.00 0.00 C ATOM 398 CZ PHE A 28 10.215 -1.653 2.293 1.00 0.00 C ATOM 0 H PHE A 28 8.237 -4.979 2.381 1.00 0.00 H new ATOM 0 HA PHE A 28 5.496 -5.182 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.751 -2.629 3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.681 -3.596 4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 28 9.138 -4.098 4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.833 -1.244 2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.230 -3.134 3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.922 -0.293 1.234 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.124 -1.239 1.883 1.00 0.00 H new ATOM 408 N GLY A 29 4.638 -4.630 1.284 1.00 0.00 N ATOM 409 CA GLY A 29 4.113 -4.243 -0.048 1.00 0.00 C ATOM 410 C GLY A 29 4.133 -2.723 -0.176 1.00 0.00 C ATOM 411 O GLY A 29 4.130 -2.018 0.811 1.00 0.00 O ATOM 0 H GLY A 29 4.042 -5.260 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.718 -4.694 -0.835 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.097 -4.617 -0.174 1.00 0.00 H new ATOM 415 N ALA A 30 4.129 -2.206 -1.371 1.00 0.00 N ATOM 416 CA ALA A 30 4.116 -0.728 -1.521 1.00 0.00 C ATOM 417 C ALA A 30 3.169 -0.379 -2.667 1.00 0.00 C ATOM 418 O ALA A 30 3.509 -0.497 -3.828 1.00 0.00 O ATOM 419 CB ALA A 30 5.532 -0.199 -1.790 1.00 0.00 C ATOM 0 H ALA A 30 4.134 -2.737 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 30 3.769 -0.257 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.501 0.885 -1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.183 -0.463 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.918 -0.643 -2.707 1.00 0.00 H new ATOM 425 N ILE A 31 1.963 0.012 -2.345 1.00 0.00 N ATOM 426 CA ILE A 31 0.971 0.326 -3.413 1.00 0.00 C ATOM 427 C ILE A 31 0.889 1.836 -3.641 1.00 0.00 C ATOM 428 O ILE A 31 1.439 2.627 -2.902 1.00 0.00 O ATOM 429 CB ILE A 31 -0.431 -0.237 -3.028 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.234 0.757 -2.174 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.274 -1.521 -2.222 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.258 1.475 -3.054 1.00 0.00 C ATOM 0 H ILE A 31 1.624 0.127 -1.390 1.00 0.00 H new ATOM 0 HA ILE A 31 1.298 -0.147 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.965 -0.421 -3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.740 0.231 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.563 1.482 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.258 -1.907 -1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.258 -2.262 -2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.291 -1.313 -1.313 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.828 2.180 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.741 2.014 -3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.936 0.744 -3.494 1.00 0.00 H new ATOM 444 N GLN A 32 0.172 2.224 -4.653 1.00 0.00 N ATOM 445 CA GLN A 32 -0.006 3.667 -4.951 1.00 0.00 C ATOM 446 C GLN A 32 -1.449 3.861 -5.414 1.00 0.00 C ATOM 447 O GLN A 32 -2.134 2.907 -5.726 1.00 0.00 O ATOM 448 CB GLN A 32 0.966 4.150 -6.048 1.00 0.00 C ATOM 449 CG GLN A 32 1.753 2.983 -6.670 1.00 0.00 C ATOM 450 CD GLN A 32 3.012 2.730 -5.839 1.00 0.00 C ATOM 451 OE1 GLN A 32 3.805 3.626 -5.632 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.231 1.540 -5.350 1.00 0.00 N ATOM 0 H GLN A 32 -0.305 1.592 -5.296 1.00 0.00 H new ATOM 0 HA GLN A 32 0.208 4.252 -4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.406 4.667 -6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.663 4.873 -5.623 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.135 2.086 -6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.023 3.218 -7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.565 0.787 -5.523 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.068 1.363 -4.794 1.00 0.00 H new ATOM 461 N LEU A 33 -1.931 5.070 -5.448 1.00 0.00 N ATOM 462 CA LEU A 33 -3.342 5.281 -5.878 1.00 0.00 C ATOM 463 C LEU A 33 -3.475 6.634 -6.584 1.00 0.00 C ATOM 464 O LEU A 33 -2.723 7.554 -6.328 1.00 0.00 O ATOM 465 CB LEU A 33 -4.247 5.288 -4.644 1.00 0.00 C ATOM 466 CG LEU A 33 -4.549 3.853 -4.207 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.276 3.873 -2.862 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.439 3.183 -5.252 1.00 0.00 C ATOM 0 H LEU A 33 -1.416 5.915 -5.200 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.630 4.480 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.763 5.830 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.176 5.812 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.616 3.298 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.492 2.851 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.646 4.355 -2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.210 4.427 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.656 2.160 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.372 3.739 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.925 3.171 -6.213 1.00 0.00 H new ATOM 480 N ASP A 34 -4.442 6.771 -7.450 1.00 0.00 N ATOM 481 CA ASP A 34 -4.636 8.073 -8.145 1.00 0.00 C ATOM 482 C ASP A 34 -5.997 8.650 -7.746 1.00 0.00 C ATOM 483 O ASP A 34 -7.001 7.963 -7.812 1.00 0.00 O ATOM 484 CB ASP A 34 -4.581 7.884 -9.665 1.00 0.00 C ATOM 485 CG ASP A 34 -5.456 6.698 -10.076 1.00 0.00 C ATOM 486 OD1 ASP A 34 -6.658 6.787 -9.895 1.00 0.00 O ATOM 487 OD2 ASP A 34 -4.911 5.726 -10.572 1.00 0.00 O ATOM 0 H ASP A 34 -5.104 6.038 -7.705 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.839 8.758 -7.854 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.923 8.790 -10.165 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.552 7.715 -9.982 1.00 0.00 H new ATOM 492 N GLY A 35 -5.990 9.903 -7.316 1.00 0.00 N ATOM 493 CA GLY A 35 -7.214 10.656 -6.858 1.00 0.00 C ATOM 494 C GLY A 35 -8.517 9.990 -7.287 1.00 0.00 C ATOM 495 O GLY A 35 -9.185 10.419 -8.206 1.00 0.00 O ATOM 0 H GLY A 35 -5.136 10.459 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.196 10.741 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.181 11.670 -7.258 1.00 0.00 H new ATOM 499 N ASP A 36 -8.866 8.945 -6.604 1.00 0.00 N ATOM 500 CA ASP A 36 -10.122 8.193 -6.908 1.00 0.00 C ATOM 501 C ASP A 36 -10.035 6.815 -6.255 1.00 0.00 C ATOM 502 O ASP A 36 -11.033 6.172 -5.997 1.00 0.00 O ATOM 503 CB ASP A 36 -10.286 8.018 -8.423 1.00 0.00 C ATOM 504 CG ASP A 36 -11.419 8.917 -8.921 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.349 9.141 -8.163 1.00 0.00 O ATOM 506 OD2 ASP A 36 -11.337 9.369 -10.051 1.00 0.00 O ATOM 0 H ASP A 36 -8.325 8.565 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.977 8.748 -6.522 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.356 8.272 -8.932 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.504 6.976 -8.658 1.00 0.00 H new ATOM 511 N GLY A 37 -8.842 6.350 -6.001 1.00 0.00 N ATOM 512 CA GLY A 37 -8.674 5.015 -5.385 1.00 0.00 C ATOM 513 C GLY A 37 -8.298 4.014 -6.474 1.00 0.00 C ATOM 514 O GLY A 37 -8.395 2.816 -6.288 1.00 0.00 O ATOM 0 H GLY A 37 -7.973 6.846 -6.198 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.899 5.048 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.597 4.708 -4.892 1.00 0.00 H new ATOM 518 N ASN A 38 -7.841 4.487 -7.609 1.00 0.00 N ATOM 519 CA ASN A 38 -7.437 3.531 -8.682 1.00 0.00 C ATOM 520 C ASN A 38 -5.987 3.131 -8.428 1.00 0.00 C ATOM 521 O ASN A 38 -5.242 3.868 -7.822 1.00 0.00 O ATOM 522 CB ASN A 38 -7.563 4.186 -10.055 1.00 0.00 C ATOM 523 CG ASN A 38 -8.381 3.286 -10.983 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.596 3.326 -10.971 1.00 0.00 O ATOM 525 ND2 ASN A 38 -7.763 2.471 -11.792 1.00 0.00 N ATOM 0 H ASN A 38 -7.732 5.476 -7.834 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.085 2.655 -8.667 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.043 5.160 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.574 4.358 -10.479 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.299 1.867 -12.415 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.744 2.438 -11.802 1.00 0.00 H new ATOM 532 N ILE A 39 -5.582 1.965 -8.840 1.00 0.00 N ATOM 533 CA ILE A 39 -4.177 1.538 -8.548 1.00 0.00 C ATOM 534 C ILE A 39 -3.153 2.156 -9.502 1.00 0.00 C ATOM 535 O ILE A 39 -3.361 2.270 -10.693 1.00 0.00 O ATOM 536 CB ILE A 39 -4.060 -0.015 -8.621 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.070 -0.492 -7.558 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.554 -0.497 -9.993 1.00 0.00 C ATOM 539 CD1 ILE A 39 -3.750 -0.497 -6.188 1.00 0.00 C ATOM 0 H ILE A 39 -6.149 1.294 -9.359 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.952 1.894 -7.543 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.056 -0.425 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.714 -1.493 -7.802 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.198 0.161 -7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.489 -1.585 -9.995 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.246 -0.173 -10.770 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.568 -0.074 -10.186 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.043 -0.837 -5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.085 0.511 -5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.608 -1.169 -6.210 1.00 0.00 H new ATOM 551 N LEU A 40 -2.005 2.440 -8.966 1.00 0.00 N ATOM 552 CA LEU A 40 -0.877 2.925 -9.798 1.00 0.00 C ATOM 553 C LEU A 40 0.176 1.812 -9.749 1.00 0.00 C ATOM 554 O LEU A 40 0.866 1.548 -10.712 1.00 0.00 O ATOM 555 CB LEU A 40 -0.280 4.227 -9.256 1.00 0.00 C ATOM 556 CG LEU A 40 -1.354 5.071 -8.566 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.726 6.370 -8.062 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.463 5.402 -9.565 1.00 0.00 C ATOM 0 H LEU A 40 -1.797 2.355 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.215 3.142 -10.811 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.519 4.000 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.167 4.795 -10.072 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.773 4.514 -7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.487 6.975 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.069 6.139 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.311 6.924 -8.904 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.228 6.003 -9.073 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.044 5.961 -10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.909 4.478 -9.933 1.00 0.00 H new ATOM 570 N GLN A 41 0.270 1.128 -8.621 1.00 0.00 N ATOM 571 CA GLN A 41 1.238 -0.001 -8.495 1.00 0.00 C ATOM 572 C GLN A 41 0.964 -0.795 -7.207 1.00 0.00 C ATOM 573 O GLN A 41 0.340 -0.308 -6.286 1.00 0.00 O ATOM 574 CB GLN A 41 2.681 0.534 -8.492 1.00 0.00 C ATOM 575 CG GLN A 41 3.689 -0.613 -8.698 1.00 0.00 C ATOM 576 CD GLN A 41 3.254 -1.491 -9.875 1.00 0.00 C ATOM 577 OE1 GLN A 41 3.515 -2.678 -9.897 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.595 -0.947 -10.860 1.00 0.00 N ATOM 0 H GLN A 41 -0.287 1.311 -7.787 1.00 0.00 H new ATOM 0 HA GLN A 41 1.113 -0.666 -9.349 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.801 1.276 -9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.885 1.038 -7.547 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.682 -0.205 -8.886 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.758 -1.214 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.377 0.049 -10.839 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.297 -1.518 -11.651 1.00 0.00 H new ATOM 587 N TYR A 42 1.414 -2.028 -7.152 1.00 0.00 N ATOM 588 CA TYR A 42 1.168 -2.873 -5.940 1.00 0.00 C ATOM 589 C TYR A 42 2.455 -3.624 -5.547 1.00 0.00 C ATOM 590 O TYR A 42 2.911 -3.546 -4.413 1.00 0.00 O ATOM 591 CB TYR A 42 0.059 -3.891 -6.264 1.00 0.00 C ATOM 592 CG TYR A 42 -0.570 -4.371 -4.980 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.332 -3.488 -4.207 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.369 -5.687 -4.544 1.00 0.00 C ATOM 595 CE1 TYR A 42 -1.878 -3.914 -2.994 1.00 0.00 C ATOM 596 CE2 TYR A 42 -0.931 -6.113 -3.334 1.00 0.00 C ATOM 597 CZ TYR A 42 -1.678 -5.222 -2.557 1.00 0.00 C ATOM 598 OH TYR A 42 -2.189 -5.617 -1.341 1.00 0.00 O ATOM 0 H TYR A 42 1.942 -2.485 -7.896 1.00 0.00 H new ATOM 0 HA TYR A 42 0.864 -2.237 -5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.696 -3.432 -6.903 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.474 -4.734 -6.816 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.498 -2.477 -4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.218 -6.371 -5.139 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.457 -3.228 -2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -0.787 -7.130 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.655 -5.225 -0.619 1.00 0.00 H new ATOM 608 N ASN A 43 3.021 -4.353 -6.490 1.00 0.00 N ATOM 609 CA ASN A 43 4.279 -5.153 -6.266 1.00 0.00 C ATOM 610 C ASN A 43 3.912 -6.611 -5.924 1.00 0.00 C ATOM 611 O ASN A 43 2.752 -6.968 -5.871 1.00 0.00 O ATOM 612 CB ASN A 43 5.192 -4.493 -5.200 1.00 0.00 C ATOM 613 CG ASN A 43 5.004 -5.104 -3.808 1.00 0.00 C ATOM 614 OD1 ASN A 43 3.957 -5.626 -3.492 1.00 0.00 O ATOM 615 ND2 ASN A 43 5.992 -5.050 -2.958 1.00 0.00 N ATOM 0 H ASN A 43 2.650 -4.428 -7.437 1.00 0.00 H new ATOM 0 HA ASN A 43 4.864 -5.166 -7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.234 -4.599 -5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.980 -3.425 -5.156 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.884 -5.448 -2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.872 -4.610 -3.226 1.00 0.00 H new ATOM 622 N ALA A 44 4.890 -7.465 -5.744 1.00 0.00 N ATOM 623 CA ALA A 44 4.585 -8.906 -5.469 1.00 0.00 C ATOM 624 C ALA A 44 4.590 -9.247 -3.968 1.00 0.00 C ATOM 625 O ALA A 44 4.006 -10.232 -3.567 1.00 0.00 O ATOM 626 CB ALA A 44 5.625 -9.774 -6.177 1.00 0.00 C ATOM 0 H ALA A 44 5.882 -7.229 -5.775 1.00 0.00 H new ATOM 0 HA ALA A 44 3.579 -9.101 -5.841 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.413 -10.826 -5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.585 -9.587 -7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.619 -9.529 -5.802 1.00 0.00 H new ATOM 632 N ALA A 45 5.250 -8.485 -3.137 1.00 0.00 N ATOM 633 CA ALA A 45 5.270 -8.843 -1.680 1.00 0.00 C ATOM 634 C ALA A 45 3.842 -8.929 -1.143 1.00 0.00 C ATOM 635 O ALA A 45 3.359 -9.987 -0.792 1.00 0.00 O ATOM 636 CB ALA A 45 6.043 -7.785 -0.885 1.00 0.00 C ATOM 0 H ALA A 45 5.768 -7.645 -3.393 1.00 0.00 H new ATOM 0 HA ALA A 45 5.761 -9.810 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.050 -8.056 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.068 -7.730 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.562 -6.815 -1.007 1.00 0.00 H new ATOM 642 N GLU A 46 3.178 -7.819 -1.064 1.00 0.00 N ATOM 643 CA GLU A 46 1.778 -7.810 -0.543 1.00 0.00 C ATOM 644 C GLU A 46 0.889 -8.627 -1.460 1.00 0.00 C ATOM 645 O GLU A 46 0.053 -9.389 -1.025 1.00 0.00 O ATOM 646 CB GLU A 46 1.245 -6.378 -0.488 1.00 0.00 C ATOM 647 CG GLU A 46 1.679 -5.587 -1.724 1.00 0.00 C ATOM 648 CD GLU A 46 1.164 -4.156 -1.621 1.00 0.00 C ATOM 649 OE1 GLU A 46 0.103 -3.962 -1.053 1.00 0.00 O ATOM 650 OE2 GLU A 46 1.954 -3.170 -2.166 1.00 0.00 O ATOM 0 H GLU A 46 3.541 -6.906 -1.338 1.00 0.00 H new ATOM 0 HA GLU A 46 1.776 -8.238 0.459 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.157 -6.393 -0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.611 -5.884 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.766 -5.588 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.291 -6.060 -2.626 1.00 0.00 H new ATOM 658 N GLY A 47 1.063 -8.464 -2.727 1.00 0.00 N ATOM 659 CA GLY A 47 0.229 -9.228 -3.693 1.00 0.00 C ATOM 660 C GLY A 47 0.459 -10.728 -3.491 1.00 0.00 C ATOM 661 O GLY A 47 -0.334 -11.545 -3.915 1.00 0.00 O ATOM 0 H GLY A 47 1.747 -7.834 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.825 -8.988 -3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.484 -8.944 -4.714 1.00 0.00 H new ATOM 665 N ASP A 48 1.528 -11.101 -2.838 1.00 0.00 N ATOM 666 CA ASP A 48 1.779 -12.552 -2.606 1.00 0.00 C ATOM 667 C ASP A 48 0.994 -12.986 -1.370 1.00 0.00 C ATOM 668 O ASP A 48 0.571 -14.119 -1.250 1.00 0.00 O ATOM 669 CB ASP A 48 3.276 -12.787 -2.377 1.00 0.00 C ATOM 670 CG ASP A 48 3.532 -14.278 -2.141 1.00 0.00 C ATOM 671 OD1 ASP A 48 2.838 -15.081 -2.743 1.00 0.00 O ATOM 672 OD2 ASP A 48 4.418 -14.590 -1.363 1.00 0.00 O ATOM 0 H ASP A 48 2.233 -10.469 -2.458 1.00 0.00 H new ATOM 0 HA ASP A 48 1.461 -13.131 -3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.845 -12.442 -3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.618 -12.209 -1.519 1.00 0.00 H new ATOM 677 N ILE A 49 0.794 -12.081 -0.453 1.00 0.00 N ATOM 678 CA ILE A 49 0.037 -12.408 0.782 1.00 0.00 C ATOM 679 C ILE A 49 -1.459 -12.529 0.444 1.00 0.00 C ATOM 680 O ILE A 49 -2.078 -13.547 0.681 1.00 0.00 O ATOM 681 CB ILE A 49 0.321 -11.299 1.816 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.134 -11.890 2.971 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.960 -10.658 2.371 1.00 0.00 C ATOM 684 CD1 ILE A 49 0.294 -12.936 3.705 1.00 0.00 C ATOM 0 H ILE A 49 1.128 -11.119 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 49 0.346 -13.364 1.205 1.00 0.00 H new ATOM 0 HB ILE A 49 0.878 -10.513 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.049 -12.345 2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.434 -11.100 3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.697 -9.885 3.093 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.527 -10.213 1.554 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.566 -11.421 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.873 -13.356 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.608 -12.467 4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.017 -13.731 3.013 1.00 0.00 H new ATOM 696 N THR A 50 -2.042 -11.495 -0.106 1.00 0.00 N ATOM 697 CA THR A 50 -3.497 -11.560 -0.450 1.00 0.00 C ATOM 698 C THR A 50 -3.680 -12.093 -1.872 1.00 0.00 C ATOM 699 O THR A 50 -4.787 -12.349 -2.305 1.00 0.00 O ATOM 700 CB THR A 50 -4.126 -10.165 -0.368 1.00 0.00 C ATOM 701 OG1 THR A 50 -3.736 -9.401 -1.507 1.00 0.00 O ATOM 702 CG2 THR A 50 -3.680 -9.466 0.918 1.00 0.00 C ATOM 0 H THR A 50 -1.579 -10.614 -0.331 1.00 0.00 H new ATOM 0 HA THR A 50 -3.984 -12.227 0.262 1.00 0.00 H new ATOM 0 HB THR A 50 -5.212 -10.257 -0.355 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.139 -8.509 -1.456 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.131 -8.475 0.969 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.996 -10.053 1.780 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.594 -9.371 0.923 1.00 0.00 H new ATOM 710 N GLY A 51 -2.619 -12.251 -2.611 1.00 0.00 N ATOM 711 CA GLY A 51 -2.759 -12.750 -3.998 1.00 0.00 C ATOM 712 C GLY A 51 -2.947 -11.569 -4.956 1.00 0.00 C ATOM 713 O GLY A 51 -2.928 -11.737 -6.156 1.00 0.00 O ATOM 0 H GLY A 51 -1.664 -12.055 -2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.875 -13.322 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.611 -13.426 -4.067 1.00 0.00 H new ATOM 717 N ARG A 52 -3.120 -10.374 -4.436 1.00 0.00 N ATOM 718 CA ARG A 52 -3.299 -9.185 -5.322 1.00 0.00 C ATOM 719 C ARG A 52 -2.146 -9.106 -6.322 1.00 0.00 C ATOM 720 O ARG A 52 -1.132 -8.489 -6.065 1.00 0.00 O ATOM 721 CB ARG A 52 -3.298 -7.908 -4.479 1.00 0.00 C ATOM 722 CG ARG A 52 -4.727 -7.383 -4.293 1.00 0.00 C ATOM 723 CD ARG A 52 -4.734 -5.865 -4.509 1.00 0.00 C ATOM 724 NE ARG A 52 -5.203 -5.149 -3.280 1.00 0.00 N ATOM 725 CZ ARG A 52 -4.802 -3.924 -3.045 1.00 0.00 C ATOM 726 NH1 ARG A 52 -4.366 -3.170 -4.022 1.00 0.00 N ATOM 727 NH2 ARG A 52 -4.847 -3.443 -1.835 1.00 0.00 N ATOM 0 H ARG A 52 -3.144 -10.175 -3.436 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.246 -9.283 -5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.849 -8.108 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.685 -7.147 -4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.401 -7.867 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.089 -7.623 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.731 -5.527 -4.771 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.383 -5.617 -5.349 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.834 -5.614 -2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.337 -3.535 -4.974 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.055 -2.217 -3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.195 -4.020 -1.069 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.534 -2.489 -1.653 1.00 0.00 H new ATOM 741 N ASP A 53 -2.298 -9.706 -7.463 1.00 0.00 N ATOM 742 CA ASP A 53 -1.214 -9.644 -8.478 1.00 0.00 C ATOM 743 C ASP A 53 -1.129 -8.210 -8.995 1.00 0.00 C ATOM 744 O ASP A 53 -2.049 -7.452 -8.800 1.00 0.00 O ATOM 745 CB ASP A 53 -1.534 -10.592 -9.635 1.00 0.00 C ATOM 746 CG ASP A 53 -0.598 -11.802 -9.580 1.00 0.00 C ATOM 747 OD1 ASP A 53 -0.340 -12.276 -8.486 1.00 0.00 O ATOM 748 OD2 ASP A 53 -0.158 -12.233 -10.633 1.00 0.00 O ATOM 0 H ASP A 53 -3.124 -10.237 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.264 -9.943 -8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.572 -10.919 -9.574 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.419 -10.073 -10.587 1.00 0.00 H new ATOM 753 N PRO A 54 -0.030 -7.864 -9.628 1.00 0.00 N ATOM 754 CA PRO A 54 0.168 -6.502 -10.154 1.00 0.00 C ATOM 755 C PRO A 54 -0.637 -6.284 -11.439 1.00 0.00 C ATOM 756 O PRO A 54 -1.446 -5.380 -11.530 1.00 0.00 O ATOM 757 CB PRO A 54 1.674 -6.439 -10.427 1.00 0.00 C ATOM 758 CG PRO A 54 2.154 -7.901 -10.580 1.00 0.00 C ATOM 759 CD PRO A 54 1.103 -8.784 -9.883 1.00 0.00 C ATOM 0 HA PRO A 54 -0.170 -5.728 -9.465 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.881 -5.866 -11.331 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.196 -5.943 -9.609 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.249 -8.169 -11.632 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.136 -8.036 -10.126 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.803 -9.620 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.489 -9.207 -8.956 1.00 0.00 H new ATOM 767 N LYS A 55 -0.421 -7.091 -12.437 1.00 0.00 N ATOM 768 CA LYS A 55 -1.170 -6.914 -13.711 1.00 0.00 C ATOM 769 C LYS A 55 -2.656 -7.200 -13.494 1.00 0.00 C ATOM 770 O LYS A 55 -3.490 -6.810 -14.287 1.00 0.00 O ATOM 771 CB LYS A 55 -0.617 -7.879 -14.762 1.00 0.00 C ATOM 772 CG LYS A 55 -0.356 -7.123 -16.064 1.00 0.00 C ATOM 773 CD LYS A 55 0.147 -8.101 -17.130 1.00 0.00 C ATOM 774 CE LYS A 55 1.022 -7.351 -18.135 1.00 0.00 C ATOM 775 NZ LYS A 55 0.272 -7.170 -19.410 1.00 0.00 N ATOM 0 H LYS A 55 0.242 -7.866 -12.427 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.052 -5.886 -14.053 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.306 -8.334 -14.403 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.326 -8.689 -14.936 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.270 -6.636 -16.404 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.381 -6.337 -15.899 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.717 -8.904 -16.663 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.697 -8.565 -17.641 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.310 -6.381 -17.730 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.942 -7.906 -18.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.867 -6.660 -20.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.018 -8.101 -19.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.594 -6.623 -19.229 1.00 0.00 H new ATOM 789 N GLN A 56 -3.002 -7.880 -12.436 1.00 0.00 N ATOM 790 CA GLN A 56 -4.441 -8.180 -12.197 1.00 0.00 C ATOM 791 C GLN A 56 -5.062 -7.073 -11.348 1.00 0.00 C ATOM 792 O GLN A 56 -6.225 -6.750 -11.494 1.00 0.00 O ATOM 793 CB GLN A 56 -4.580 -9.526 -11.479 1.00 0.00 C ATOM 794 CG GLN A 56 -5.305 -10.519 -12.392 1.00 0.00 C ATOM 795 CD GLN A 56 -4.301 -11.533 -12.941 1.00 0.00 C ATOM 796 OE1 GLN A 56 -3.110 -11.290 -12.935 1.00 0.00 O ATOM 797 NE2 GLN A 56 -4.732 -12.667 -13.421 1.00 0.00 N ATOM 0 H GLN A 56 -2.357 -8.238 -11.732 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.960 -8.233 -13.154 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.596 -9.912 -11.213 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.134 -9.399 -10.549 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.091 -11.033 -11.838 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.788 -9.989 -13.213 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.731 -12.872 -13.426 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.070 -13.349 -13.791 1.00 0.00 H new ATOM 806 N VAL A 57 -4.299 -6.468 -10.477 1.00 0.00 N ATOM 807 CA VAL A 57 -4.865 -5.367 -9.649 1.00 0.00 C ATOM 808 C VAL A 57 -4.744 -4.049 -10.404 1.00 0.00 C ATOM 809 O VAL A 57 -4.961 -2.994 -9.851 1.00 0.00 O ATOM 810 CB VAL A 57 -4.123 -5.245 -8.320 1.00 0.00 C ATOM 811 CG1 VAL A 57 -4.272 -6.543 -7.524 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.646 -4.935 -8.583 1.00 0.00 C ATOM 0 H VAL A 57 -3.318 -6.687 -10.305 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.912 -5.595 -9.448 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.550 -4.431 -7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.741 -6.452 -6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.328 -6.733 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.853 -7.371 -8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.118 -4.848 -7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.205 -5.739 -9.172 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.563 -3.997 -9.131 1.00 0.00 H new ATOM 822 N ILE A 58 -4.405 -4.093 -11.657 1.00 0.00 N ATOM 823 CA ILE A 58 -4.285 -2.835 -12.421 1.00 0.00 C ATOM 824 C ILE A 58 -5.665 -2.474 -12.983 1.00 0.00 C ATOM 825 O ILE A 58 -6.276 -3.230 -13.712 1.00 0.00 O ATOM 826 CB ILE A 58 -3.214 -3.024 -13.523 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.946 -2.306 -13.071 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.660 -2.442 -14.875 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.787 -2.678 -13.998 1.00 0.00 C ATOM 0 H ILE A 58 -4.207 -4.945 -12.181 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.960 -2.006 -11.792 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.048 -4.092 -13.665 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.103 -1.227 -13.083 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.706 -2.582 -12.044 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.876 -2.599 -15.615 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.573 -2.940 -15.202 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.848 -1.374 -14.767 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.118 -2.164 -13.673 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.625 -3.755 -13.963 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.027 -2.380 -15.019 1.00 0.00 H new ATOM 841 N GLY A 59 -6.150 -1.319 -12.636 1.00 0.00 N ATOM 842 CA GLY A 59 -7.490 -0.890 -13.129 1.00 0.00 C ATOM 843 C GLY A 59 -8.542 -1.103 -12.035 1.00 0.00 C ATOM 844 O GLY A 59 -9.613 -0.533 -12.079 1.00 0.00 O ATOM 0 H GLY A 59 -5.677 -0.649 -12.030 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.461 0.161 -13.418 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.759 -1.459 -14.019 1.00 0.00 H new ATOM 848 N LYS A 60 -8.254 -1.918 -11.053 1.00 0.00 N ATOM 849 CA LYS A 60 -9.261 -2.151 -9.961 1.00 0.00 C ATOM 850 C LYS A 60 -9.252 -0.974 -8.985 1.00 0.00 C ATOM 851 O LYS A 60 -8.360 -0.140 -8.989 1.00 0.00 O ATOM 852 CB LYS A 60 -8.920 -3.429 -9.168 1.00 0.00 C ATOM 853 CG LYS A 60 -7.410 -3.551 -9.037 1.00 0.00 C ATOM 854 CD LYS A 60 -7.044 -4.070 -7.654 1.00 0.00 C ATOM 855 CE LYS A 60 -6.280 -2.980 -6.891 1.00 0.00 C ATOM 856 NZ LYS A 60 -7.099 -1.735 -6.846 1.00 0.00 N ATOM 0 H LYS A 60 -7.377 -2.429 -10.955 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.241 -2.256 -10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.380 -3.392 -8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.324 -4.305 -9.676 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.025 -4.226 -9.801 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.943 -2.580 -9.205 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.945 -4.350 -7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.432 -4.968 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.058 -3.318 -5.879 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.325 -2.782 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.832 -1.174 -6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.931 -1.177 -7.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.107 -1.984 -6.787 1.00 0.00 H new ATOM 870 N ASN A 61 -10.241 -0.925 -8.131 1.00 0.00 N ATOM 871 CA ASN A 61 -10.321 0.160 -7.116 1.00 0.00 C ATOM 872 C ASN A 61 -9.956 -0.447 -5.762 1.00 0.00 C ATOM 873 O ASN A 61 -10.733 -1.161 -5.170 1.00 0.00 O ATOM 874 CB ASN A 61 -11.748 0.712 -7.057 1.00 0.00 C ATOM 875 CG ASN A 61 -11.750 2.178 -7.499 1.00 0.00 C ATOM 876 OD1 ASN A 61 -12.375 3.011 -6.874 1.00 0.00 O ATOM 877 ND2 ASN A 61 -11.071 2.529 -8.556 1.00 0.00 N ATOM 0 H ASN A 61 -11.005 -1.600 -8.096 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.642 0.973 -7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.402 0.126 -7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -12.140 0.627 -6.044 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.065 3.503 -8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.546 1.829 -9.081 1.00 0.00 H new ATOM 884 N PHE A 62 -8.769 -0.195 -5.291 1.00 0.00 N ATOM 885 CA PHE A 62 -8.319 -0.777 -3.986 1.00 0.00 C ATOM 886 C PHE A 62 -9.339 -0.546 -2.865 1.00 0.00 C ATOM 887 O PHE A 62 -9.557 -1.416 -2.042 1.00 0.00 O ATOM 888 CB PHE A 62 -6.982 -0.117 -3.598 1.00 0.00 C ATOM 889 CG PHE A 62 -6.616 -0.427 -2.154 1.00 0.00 C ATOM 890 CD1 PHE A 62 -6.958 -1.660 -1.595 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.905 0.508 -1.392 1.00 0.00 C ATOM 892 CE1 PHE A 62 -6.594 -1.962 -0.281 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.548 0.206 -0.069 1.00 0.00 C ATOM 894 CZ PHE A 62 -5.895 -1.034 0.482 1.00 0.00 C ATOM 0 H PHE A 62 -8.079 0.396 -5.756 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.210 -1.854 -4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.192 -0.471 -4.261 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.052 0.962 -3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.506 -2.383 -2.181 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.632 1.460 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.856 -2.920 0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.006 0.929 0.523 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.620 -1.269 1.499 1.00 0.00 H new ATOM 904 N PHE A 63 -9.907 0.616 -2.766 1.00 0.00 N ATOM 905 CA PHE A 63 -10.824 0.865 -1.622 1.00 0.00 C ATOM 906 C PHE A 63 -12.278 0.492 -1.934 1.00 0.00 C ATOM 907 O PHE A 63 -13.152 0.678 -1.110 1.00 0.00 O ATOM 908 CB PHE A 63 -10.761 2.343 -1.241 1.00 0.00 C ATOM 909 CG PHE A 63 -9.538 2.587 -0.399 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.491 2.099 0.908 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.453 3.298 -0.923 1.00 0.00 C ATOM 912 CE1 PHE A 63 -8.359 2.318 1.695 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.317 3.519 -0.136 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.270 3.027 1.174 1.00 0.00 C ATOM 0 H PHE A 63 -9.782 1.394 -3.414 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.493 0.231 -0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.728 2.961 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.658 2.627 -0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.331 1.552 1.310 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.492 3.676 -1.934 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.323 1.940 2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.478 4.068 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.394 3.194 1.783 1.00 0.00 H new ATOM 924 N LYS A 64 -12.561 -0.019 -3.096 1.00 0.00 N ATOM 925 CA LYS A 64 -13.974 -0.378 -3.411 1.00 0.00 C ATOM 926 C LYS A 64 -14.023 -1.484 -4.466 1.00 0.00 C ATOM 927 O LYS A 64 -14.694 -1.360 -5.471 1.00 0.00 O ATOM 928 CB LYS A 64 -14.704 0.858 -3.940 1.00 0.00 C ATOM 929 CG LYS A 64 -16.092 0.943 -3.301 1.00 0.00 C ATOM 930 CD LYS A 64 -17.022 -0.071 -3.970 1.00 0.00 C ATOM 931 CE LYS A 64 -18.473 0.258 -3.618 1.00 0.00 C ATOM 932 NZ LYS A 64 -18.729 -0.095 -2.193 1.00 0.00 N ATOM 0 H LYS A 64 -11.885 -0.204 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.457 -0.737 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.131 1.757 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.794 0.804 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.025 0.742 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.494 1.950 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.885 -0.048 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.776 -1.080 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.667 1.318 -3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -19.151 -0.295 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.716 0.128 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.559 -1.111 -2.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.091 0.451 -1.580 1.00 0.00 H new ATOM 946 N ASP A 65 -13.333 -2.570 -4.244 1.00 0.00 N ATOM 947 CA ASP A 65 -13.363 -3.689 -5.245 1.00 0.00 C ATOM 948 C ASP A 65 -12.306 -4.760 -4.930 1.00 0.00 C ATOM 949 O ASP A 65 -12.333 -5.836 -5.492 1.00 0.00 O ATOM 950 CB ASP A 65 -13.083 -3.135 -6.649 1.00 0.00 C ATOM 951 CG ASP A 65 -14.343 -3.254 -7.509 1.00 0.00 C ATOM 952 OD1 ASP A 65 -15.426 -3.119 -6.962 1.00 0.00 O ATOM 953 OD2 ASP A 65 -14.204 -3.476 -8.700 1.00 0.00 O ATOM 0 H ASP A 65 -12.753 -2.736 -3.422 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.352 -4.144 -5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.772 -2.092 -6.584 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.262 -3.684 -7.111 1.00 0.00 H new ATOM 958 N VAL A 66 -11.351 -4.474 -4.089 1.00 0.00 N ATOM 959 CA VAL A 66 -10.286 -5.467 -3.814 1.00 0.00 C ATOM 960 C VAL A 66 -10.285 -5.815 -2.341 1.00 0.00 C ATOM 961 O VAL A 66 -10.378 -6.955 -1.932 1.00 0.00 O ATOM 962 CB VAL A 66 -8.945 -4.798 -4.112 1.00 0.00 C ATOM 963 CG1 VAL A 66 -7.918 -5.831 -4.540 1.00 0.00 C ATOM 964 CG2 VAL A 66 -9.100 -3.768 -5.217 1.00 0.00 C ATOM 0 H VAL A 66 -11.266 -3.593 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 66 -10.448 -6.360 -4.417 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.606 -4.306 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.969 -5.336 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.780 -6.559 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -8.267 -6.340 -5.439 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -8.136 -3.301 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -9.461 -4.257 -6.122 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.815 -3.006 -4.906 1.00 0.00 H new ATOM 974 N ALA A 67 -10.119 -4.804 -1.560 1.00 0.00 N ATOM 975 CA ALA A 67 -10.029 -4.952 -0.100 1.00 0.00 C ATOM 976 C ALA A 67 -11.286 -4.337 0.549 1.00 0.00 C ATOM 977 O ALA A 67 -11.383 -3.130 0.659 1.00 0.00 O ATOM 978 CB ALA A 67 -8.783 -4.174 0.290 1.00 0.00 C ATOM 0 H ALA A 67 -10.039 -3.842 -1.889 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.971 -5.991 0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.640 -4.232 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.916 -4.600 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.898 -3.131 -0.005 1.00 0.00 H new ATOM 984 N PRO A 68 -12.228 -5.176 0.940 1.00 0.00 N ATOM 985 CA PRO A 68 -13.499 -4.710 1.541 1.00 0.00 C ATOM 986 C PRO A 68 -13.311 -4.189 2.972 1.00 0.00 C ATOM 987 O PRO A 68 -14.240 -3.679 3.569 1.00 0.00 O ATOM 988 CB PRO A 68 -14.388 -5.958 1.524 1.00 0.00 C ATOM 989 CG PRO A 68 -13.435 -7.172 1.445 1.00 0.00 C ATOM 990 CD PRO A 68 -12.120 -6.652 0.837 1.00 0.00 C ATOM 0 HA PRO A 68 -13.925 -3.870 0.992 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -15.006 -6.007 2.421 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -15.066 -5.940 0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.264 -7.597 2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.863 -7.962 0.828 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.254 -7.027 1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.007 -6.971 -0.199 1.00 0.00 H new ATOM 998 N CYS A 69 -12.135 -4.293 3.531 1.00 0.00 N ATOM 999 CA CYS A 69 -11.945 -3.777 4.918 1.00 0.00 C ATOM 1000 C CYS A 69 -11.152 -2.467 4.874 1.00 0.00 C ATOM 1001 O CYS A 69 -11.166 -1.697 5.812 1.00 0.00 O ATOM 1002 CB CYS A 69 -11.209 -4.812 5.783 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.502 -5.012 5.219 1.00 0.00 S ATOM 0 H CYS A 69 -11.310 -4.706 3.096 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.923 -3.592 5.363 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -11.219 -4.495 6.826 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.728 -5.769 5.736 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.702 -4.374 6.021 1.00 0.00 H new ATOM 1008 N THR A 70 -10.467 -2.199 3.793 1.00 0.00 N ATOM 1009 CA THR A 70 -9.691 -0.931 3.715 1.00 0.00 C ATOM 1010 C THR A 70 -10.654 0.247 3.512 1.00 0.00 C ATOM 1011 O THR A 70 -10.254 1.392 3.531 1.00 0.00 O ATOM 1012 CB THR A 70 -8.693 -1.001 2.555 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.376 -1.368 1.364 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.620 -2.043 2.872 1.00 0.00 C ATOM 0 H THR A 70 -10.413 -2.798 2.969 1.00 0.00 H new ATOM 0 HA THR A 70 -9.139 -0.787 4.644 1.00 0.00 H new ATOM 0 HB THR A 70 -8.224 -0.027 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.922 -0.971 0.591 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.908 -2.095 2.048 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.097 -1.760 3.786 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.088 -3.018 3.009 1.00 0.00 H new ATOM 1022 N ASP A 71 -11.923 -0.018 3.334 1.00 0.00 N ATOM 1023 CA ASP A 71 -12.893 1.095 3.153 1.00 0.00 C ATOM 1024 C ASP A 71 -13.485 1.456 4.515 1.00 0.00 C ATOM 1025 O ASP A 71 -14.685 1.509 4.694 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.006 0.657 2.198 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.564 -0.694 2.649 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.912 -0.810 3.812 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -14.634 -1.589 1.823 1.00 0.00 O ATOM 0 H ASP A 71 -12.325 -0.955 3.307 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.390 1.964 2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -14.800 1.403 2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.619 0.582 1.182 1.00 0.00 H new ATOM 1034 N SER A 72 -12.639 1.696 5.476 1.00 0.00 N ATOM 1035 CA SER A 72 -13.119 2.050 6.843 1.00 0.00 C ATOM 1036 C SER A 72 -12.644 3.471 7.185 1.00 0.00 C ATOM 1037 O SER A 72 -12.021 4.108 6.360 1.00 0.00 O ATOM 1038 CB SER A 72 -12.547 1.041 7.838 1.00 0.00 C ATOM 1039 OG SER A 72 -13.598 0.537 8.654 1.00 0.00 O ATOM 0 H SER A 72 -11.625 1.662 5.373 1.00 0.00 H new ATOM 0 HA SER A 72 -14.208 2.021 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.061 0.224 7.306 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.786 1.515 8.457 1.00 0.00 H new ATOM 0 HG SER A 72 -13.234 -0.112 9.292 1.00 0.00 H new ATOM 1045 N PRO A 73 -12.959 3.946 8.378 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.573 5.305 8.810 1.00 0.00 C ATOM 1047 C PRO A 73 -11.101 5.364 9.237 1.00 0.00 C ATOM 1048 O PRO A 73 -10.544 6.431 9.410 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.498 5.582 9.998 1.00 0.00 C ATOM 1050 CG PRO A 73 -13.947 4.204 10.537 1.00 0.00 C ATOM 1051 CD PRO A 73 -13.717 3.188 9.402 1.00 0.00 C ATOM 0 HA PRO A 73 -12.672 6.040 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.978 6.150 10.770 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.358 6.177 9.690 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.375 3.930 11.423 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.997 4.226 10.830 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.156 2.322 9.752 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.661 2.816 9.004 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.463 4.239 9.414 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.036 4.259 9.831 1.00 0.00 C ATOM 1061 C GLU A 74 -8.142 4.009 8.615 1.00 0.00 C ATOM 1062 O GLU A 74 -6.993 4.400 8.584 1.00 0.00 O ATOM 1063 CB GLU A 74 -8.776 3.167 10.867 1.00 0.00 C ATOM 1064 CG GLU A 74 -9.828 3.234 11.978 1.00 0.00 C ATOM 1065 CD GLU A 74 -10.232 1.815 12.381 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -9.370 1.081 12.838 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -11.396 1.484 12.226 1.00 0.00 O ATOM 0 H GLU A 74 -10.868 3.311 9.288 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.812 5.233 10.265 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.803 2.188 10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.779 3.288 11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.429 3.769 12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.701 3.789 11.634 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.661 3.355 7.617 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.846 3.077 6.402 1.00 0.00 C ATOM 1076 C PHE A 75 -8.237 4.075 5.310 1.00 0.00 C ATOM 1077 O PHE A 75 -7.492 4.985 4.987 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.112 1.645 5.927 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.890 1.110 5.220 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.387 1.778 4.098 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.261 -0.053 5.683 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.258 1.284 3.437 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -5.128 -0.545 5.021 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.628 0.123 3.898 1.00 0.00 C ATOM 0 H PHE A 75 -9.617 2.999 7.589 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.785 3.181 6.628 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.360 1.009 6.777 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.970 1.628 5.255 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.871 2.676 3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.649 -0.570 6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.872 1.799 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.641 -1.440 5.378 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.756 -0.257 3.387 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.411 3.939 4.756 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.840 4.902 3.711 1.00 0.00 C ATOM 1096 C TYR A 76 -10.166 6.237 4.380 1.00 0.00 C ATOM 1097 O TYR A 76 -10.219 7.258 3.739 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.076 4.375 2.979 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.222 5.094 1.657 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.116 5.228 0.805 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.460 5.632 1.285 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.250 5.900 -0.417 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.594 6.301 0.063 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.489 6.437 -0.788 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.622 7.099 -1.990 1.00 0.00 O ATOM 0 H TYR A 76 -10.085 3.207 4.982 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.038 5.033 2.984 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.984 3.302 2.813 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.966 4.528 3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.161 4.813 1.091 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.312 5.531 1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.398 6.004 -1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.550 6.713 -0.224 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.546 7.408 -2.093 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.383 6.231 5.670 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.686 7.498 6.395 1.00 0.00 C ATOM 1117 C GLY A 77 -9.479 8.429 6.328 1.00 0.00 C ATOM 1118 O GLY A 77 -9.553 9.529 5.819 1.00 0.00 O ATOM 0 H GLY A 77 -10.363 5.396 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.556 7.983 5.952 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.935 7.283 7.434 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.369 7.995 6.861 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.149 8.855 6.855 1.00 0.00 C ATOM 1124 C LYS A 78 -6.675 9.070 5.422 1.00 0.00 C ATOM 1125 O LYS A 78 -5.888 9.948 5.149 1.00 0.00 O ATOM 1126 CB LYS A 78 -6.046 8.196 7.696 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.651 7.528 8.947 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.784 8.390 9.525 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.765 8.321 11.053 1.00 0.00 C ATOM 1130 NZ LYS A 78 -8.627 9.403 11.609 1.00 0.00 N ATOM 0 H LYS A 78 -8.253 7.082 7.301 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.387 9.825 7.291 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.519 7.453 7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.312 8.944 7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.033 6.540 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.876 7.384 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.669 9.423 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.746 8.041 9.149 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.123 7.348 11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.744 8.429 11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.615 9.357 12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.266 10.328 11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.602 9.280 11.268 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.156 8.283 4.505 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.762 8.455 3.091 1.00 0.00 C ATOM 1146 C PHE A 79 -7.632 9.544 2.480 1.00 0.00 C ATOM 1147 O PHE A 79 -7.185 10.326 1.680 1.00 0.00 O ATOM 1148 CB PHE A 79 -6.982 7.132 2.367 1.00 0.00 C ATOM 1149 CG PHE A 79 -6.889 7.299 0.860 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -7.990 7.798 0.147 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -5.722 6.931 0.173 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.922 7.923 -1.248 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.662 7.063 -1.215 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.759 7.553 -1.925 1.00 0.00 C ATOM 0 H PHE A 79 -7.812 7.522 4.681 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.714 8.742 3.005 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.240 6.406 2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -7.961 6.731 2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.889 8.085 0.672 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.872 6.546 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.769 8.305 -1.798 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.762 6.784 -1.743 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.708 7.646 -3.000 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.865 9.614 2.876 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.753 10.663 2.348 1.00 0.00 C ATOM 1166 C LYS A 80 -9.433 11.973 3.067 1.00 0.00 C ATOM 1167 O LYS A 80 -9.902 13.030 2.698 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.207 10.277 2.603 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.875 9.894 1.280 1.00 0.00 C ATOM 1170 CD LYS A 80 -12.912 10.955 0.904 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.467 10.653 -0.488 1.00 0.00 C ATOM 1172 NZ LYS A 80 -13.687 11.931 -1.223 1.00 0.00 N ATOM 0 H LYS A 80 -9.296 8.981 3.550 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.602 10.780 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.255 9.442 3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.740 11.109 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.125 9.809 0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.354 8.919 1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.720 10.965 1.635 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.457 11.945 0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.772 10.019 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.404 10.102 -0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.065 11.726 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.366 12.520 -0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.784 12.440 -1.313 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.619 11.907 4.089 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.248 13.145 4.828 1.00 0.00 C ATOM 1188 C GLU A 81 -6.917 13.630 4.277 1.00 0.00 C ATOM 1189 O GLU A 81 -6.712 14.802 4.029 1.00 0.00 O ATOM 1190 CB GLU A 81 -8.107 12.840 6.320 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.317 12.033 6.792 1.00 0.00 C ATOM 1192 CD GLU A 81 -10.123 12.862 7.793 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -9.512 13.601 8.547 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -11.337 12.744 7.788 1.00 0.00 O ATOM 0 H GLU A 81 -8.197 11.048 4.442 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.017 13.907 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.190 12.280 6.503 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.032 13.768 6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.942 11.763 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.989 11.102 7.255 1.00 0.00 H new ATOM 1201 N GLY A 82 -6.024 12.713 4.057 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.698 13.073 3.489 1.00 0.00 C ATOM 1203 C GLY A 82 -4.928 13.623 2.088 1.00 0.00 C ATOM 1204 O GLY A 82 -4.298 14.568 1.664 1.00 0.00 O ATOM 0 H GLY A 82 -6.156 11.720 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.203 13.816 4.115 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.047 12.200 3.455 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.836 13.023 1.372 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.141 13.486 -0.013 1.00 0.00 C ATOM 1210 C VAL A 83 -6.786 14.877 0.025 1.00 0.00 C ATOM 1211 O VAL A 83 -6.512 15.717 -0.808 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.113 12.502 -0.665 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.439 12.961 -2.086 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.476 11.115 -0.711 1.00 0.00 C ATOM 0 H VAL A 83 -6.386 12.224 1.688 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.215 13.537 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.032 12.463 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.132 12.256 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -7.896 13.950 -2.053 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.522 13.004 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.168 10.412 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.555 11.157 -1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.250 10.785 0.303 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.653 15.121 0.972 1.00 0.00 N ATOM 1225 CA ALA A 84 -8.327 16.451 1.044 1.00 0.00 C ATOM 1226 C ALA A 84 -7.436 17.477 1.756 1.00 0.00 C ATOM 1227 O ALA A 84 -7.752 18.649 1.804 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.644 16.309 1.810 1.00 0.00 C ATOM 0 H ALA A 84 -7.923 14.458 1.698 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.517 16.800 0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.139 17.278 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.291 15.600 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.441 15.948 2.818 1.00 0.00 H new ATOM 1234 N SER A 85 -6.333 17.059 2.314 1.00 0.00 N ATOM 1235 CA SER A 85 -5.447 18.030 3.018 1.00 0.00 C ATOM 1236 C SER A 85 -4.182 18.280 2.191 1.00 0.00 C ATOM 1237 O SER A 85 -3.481 19.252 2.392 1.00 0.00 O ATOM 1238 CB SER A 85 -5.055 17.465 4.384 1.00 0.00 C ATOM 1239 OG SER A 85 -5.053 18.514 5.342 1.00 0.00 O ATOM 0 H SER A 85 -6.008 16.092 2.313 1.00 0.00 H new ATOM 0 HA SER A 85 -5.982 18.971 3.148 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.756 16.685 4.683 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.069 17.004 4.330 1.00 0.00 H new ATOM 0 HG SER A 85 -4.804 18.155 6.219 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.880 17.412 1.265 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.659 17.606 0.436 1.00 0.00 C ATOM 1247 C GLY A 86 -1.425 17.156 1.223 1.00 0.00 C ATOM 1248 O GLY A 86 -0.312 17.535 0.917 1.00 0.00 O ATOM 0 H GLY A 86 -4.426 16.578 1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.741 17.035 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.561 18.655 0.155 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.609 16.352 2.237 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.439 15.888 3.038 1.00 0.00 C ATOM 1254 C ASN A 87 -0.754 14.527 3.663 1.00 0.00 C ATOM 1255 O ASN A 87 -0.714 14.361 4.866 1.00 0.00 O ATOM 1256 CB ASN A 87 -0.144 16.903 4.144 1.00 0.00 C ATOM 1257 CG ASN A 87 1.294 16.724 4.634 1.00 0.00 C ATOM 1258 OD1 ASN A 87 1.531 16.094 5.644 1.00 0.00 O ATOM 1259 ND2 ASN A 87 2.272 17.258 3.954 1.00 0.00 N ATOM 0 H ASN A 87 -2.515 15.998 2.544 1.00 0.00 H new ATOM 0 HA ASN A 87 0.432 15.795 2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.288 17.916 3.769 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.840 16.767 4.971 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.235 17.146 4.272 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.073 17.788 3.105 1.00 0.00 H new ATOM 1266 N LEU A 88 -1.071 13.555 2.856 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.393 12.204 3.398 1.00 0.00 C ATOM 1268 C LEU A 88 -0.207 11.667 4.197 1.00 0.00 C ATOM 1269 O LEU A 88 0.875 11.503 3.682 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.702 11.249 2.245 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.736 10.220 2.705 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -4.001 10.338 1.852 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.151 8.812 2.558 1.00 0.00 C ATOM 0 H LEU A 88 -1.122 13.637 1.841 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.262 12.281 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.082 11.806 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.791 10.746 1.920 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.989 10.405 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.734 9.603 2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.419 11.339 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.753 10.156 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.886 8.077 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.897 8.631 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.253 8.725 3.170 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.408 11.387 5.453 1.00 0.00 N ATOM 1286 CA ASN A 89 0.703 10.854 6.287 1.00 0.00 C ATOM 1287 C ASN A 89 0.112 10.175 7.523 1.00 0.00 C ATOM 1288 O ASN A 89 -0.071 10.796 8.551 1.00 0.00 O ATOM 1289 CB ASN A 89 1.612 12.012 6.719 1.00 0.00 C ATOM 1290 CG ASN A 89 2.678 11.507 7.696 1.00 0.00 C ATOM 1291 OD1 ASN A 89 3.126 12.239 8.556 1.00 0.00 O ATOM 1292 ND2 ASN A 89 3.106 10.278 7.600 1.00 0.00 N ATOM 0 H ASN A 89 -1.297 11.505 5.939 1.00 0.00 H new ATOM 0 HA ASN A 89 1.287 10.132 5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.089 12.456 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.018 12.795 7.190 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.816 9.933 8.246 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.731 9.662 6.879 1.00 0.00 H new ATOM 1299 N THR A 90 -0.198 8.908 7.440 1.00 0.00 N ATOM 1300 CA THR A 90 -0.784 8.224 8.628 1.00 0.00 C ATOM 1301 C THR A 90 -0.557 6.714 8.539 1.00 0.00 C ATOM 1302 O THR A 90 -0.339 6.168 7.478 1.00 0.00 O ATOM 1303 CB THR A 90 -2.288 8.510 8.683 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.846 7.870 9.820 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.957 7.979 7.415 1.00 0.00 C ATOM 0 H THR A 90 -0.073 8.325 6.613 1.00 0.00 H new ATOM 0 HA THR A 90 -0.300 8.600 9.529 1.00 0.00 H new ATOM 0 HB THR A 90 -2.453 9.585 8.753 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.808 8.053 9.859 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.027 8.183 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.526 8.471 6.543 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.795 6.904 7.341 1.00 0.00 H new ATOM 1313 N MET A 91 -0.618 6.035 9.653 1.00 0.00 N ATOM 1314 CA MET A 91 -0.420 4.557 9.652 1.00 0.00 C ATOM 1315 C MET A 91 -1.417 3.924 10.624 1.00 0.00 C ATOM 1316 O MET A 91 -2.124 4.611 11.333 1.00 0.00 O ATOM 1317 CB MET A 91 1.009 4.225 10.093 1.00 0.00 C ATOM 1318 CG MET A 91 1.363 5.029 11.344 1.00 0.00 C ATOM 1319 SD MET A 91 2.410 4.025 12.428 1.00 0.00 S ATOM 1320 CE MET A 91 4.006 4.535 11.741 1.00 0.00 C ATOM 0 H MET A 91 -0.798 6.444 10.570 1.00 0.00 H new ATOM 0 HA MET A 91 -0.581 4.165 8.648 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.098 3.158 10.298 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.710 4.455 9.291 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.883 5.946 11.066 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.455 5.324 11.869 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.810 4.026 12.273 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.047 4.273 10.684 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.122 5.613 11.853 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.483 2.623 10.665 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.445 1.966 11.598 1.00 0.00 C ATOM 1332 C PHE A 92 -2.323 0.449 11.483 1.00 0.00 C ATOM 1333 O PHE A 92 -1.967 -0.073 10.454 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.873 2.387 11.244 1.00 0.00 C ATOM 1335 CG PHE A 92 -4.102 2.214 9.761 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -4.183 0.930 9.207 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.244 3.337 8.939 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.398 0.771 7.837 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.460 3.176 7.564 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.537 1.889 7.016 1.00 0.00 C ATOM 0 H PHE A 92 -0.919 1.989 10.099 1.00 0.00 H new ATOM 0 HA PHE A 92 -2.216 2.271 12.619 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.589 1.786 11.805 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.037 3.426 11.528 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.079 0.062 9.841 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.187 4.328 9.364 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.457 -0.220 7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.567 4.042 6.928 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.704 1.763 5.957 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.627 -0.263 12.530 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.531 -1.748 12.471 1.00 0.00 C ATOM 1352 C GLU A 93 -3.809 -2.306 11.845 1.00 0.00 C ATOM 1353 O GLU A 93 -4.874 -2.241 12.426 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.364 -2.310 13.885 1.00 0.00 C ATOM 1355 CG GLU A 93 -1.155 -3.248 13.923 1.00 0.00 C ATOM 1356 CD GLU A 93 -1.286 -4.203 15.111 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -1.576 -3.730 16.197 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -1.093 -5.392 14.914 1.00 0.00 O ATOM 0 H GLU A 93 -2.938 0.118 13.424 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.670 -2.036 11.868 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.229 -1.496 14.597 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.264 -2.848 14.183 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.091 -3.814 12.994 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.235 -2.669 14.008 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.716 -2.850 10.664 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.932 -3.401 10.009 1.00 0.00 C ATOM 1367 C TYR A 94 -4.817 -4.920 9.908 1.00 0.00 C ATOM 1368 O TYR A 94 -3.854 -5.511 10.354 1.00 0.00 O ATOM 1369 CB TYR A 94 -5.077 -2.802 8.610 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.488 -2.302 8.433 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.996 -1.332 9.304 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.290 -2.813 7.407 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.308 -0.874 9.149 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.602 -2.354 7.251 1.00 0.00 C ATOM 1375 CZ TYR A 94 -9.111 -1.384 8.123 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.404 -0.933 7.975 1.00 0.00 O ATOM 0 H TYR A 94 -2.853 -2.936 10.126 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.809 -3.145 10.603 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.368 -1.985 8.475 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.846 -3.552 7.854 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.376 -0.938 10.095 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.896 -3.562 6.736 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.702 -0.126 9.822 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.222 -2.747 6.459 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.670 -1.006 7.035 1.00 0.00 H new ATOM 1386 N THR A 95 -5.795 -5.556 9.331 1.00 0.00 N ATOM 1387 CA THR A 95 -5.745 -7.037 9.211 1.00 0.00 C ATOM 1388 C THR A 95 -6.537 -7.485 7.982 1.00 0.00 C ATOM 1389 O THR A 95 -7.752 -7.441 7.965 1.00 0.00 O ATOM 1390 CB THR A 95 -6.360 -7.662 10.463 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.659 -7.205 11.611 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.268 -9.185 10.370 1.00 0.00 C ATOM 0 H THR A 95 -6.626 -5.115 8.938 1.00 0.00 H new ATOM 0 HA THR A 95 -4.708 -7.357 9.107 1.00 0.00 H new ATOM 0 HB THR A 95 -7.407 -7.371 10.542 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.053 -7.603 12.415 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.706 -9.631 11.263 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.810 -9.529 9.489 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.222 -9.482 10.292 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.865 -7.936 6.960 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.597 -8.406 5.747 1.00 0.00 C ATOM 1402 C PHE A 96 -7.081 -9.833 6.002 1.00 0.00 C ATOM 1403 O PHE A 96 -6.289 -10.727 6.229 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.667 -8.404 4.523 1.00 0.00 C ATOM 1405 CG PHE A 96 -5.051 -7.035 4.301 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.721 -5.868 4.699 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.804 -6.940 3.671 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.140 -4.612 4.470 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.223 -5.686 3.445 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.891 -4.522 3.841 1.00 0.00 C ATOM 0 H PHE A 96 -4.848 -8.000 6.910 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.437 -7.740 5.549 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.877 -9.142 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.228 -8.701 3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.685 -5.937 5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.289 -7.836 3.359 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.655 -3.714 4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.258 -5.617 2.965 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.444 -3.555 3.662 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.367 -10.065 5.983 1.00 0.00 N ATOM 1421 CA ASP A 97 -8.858 -11.448 6.243 1.00 0.00 C ATOM 1422 C ASP A 97 -10.196 -11.694 5.546 1.00 0.00 C ATOM 1423 O ASP A 97 -11.122 -12.216 6.137 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.027 -11.655 7.749 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.922 -10.553 8.319 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -9.405 -9.484 8.596 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -11.107 -10.798 8.467 1.00 0.00 O ATOM 0 H ASP A 97 -9.089 -9.367 5.801 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.126 -12.152 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.467 -12.633 7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -8.054 -11.638 8.240 1.00 0.00 H new ATOM 1432 N TYR A 98 -10.301 -11.366 4.288 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.572 -11.639 3.567 1.00 0.00 C ATOM 1434 C TYR A 98 -11.561 -13.130 3.228 1.00 0.00 C ATOM 1435 O TYR A 98 -10.525 -13.644 2.881 1.00 0.00 O ATOM 1436 CB TYR A 98 -11.638 -10.803 2.276 1.00 0.00 C ATOM 1437 CG TYR A 98 -10.456 -11.133 1.391 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -10.443 -12.330 0.665 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -9.366 -10.256 1.307 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -9.351 -12.654 -0.142 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -8.269 -10.585 0.497 1.00 0.00 C ATOM 1442 CZ TYR A 98 -8.263 -11.783 -0.226 1.00 0.00 C ATOM 1443 OH TYR A 98 -7.182 -12.102 -1.024 1.00 0.00 O ATOM 0 H TYR A 98 -9.568 -10.925 3.733 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.438 -11.377 4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -12.569 -11.007 1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -11.636 -9.741 2.519 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.282 -13.006 0.730 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.371 -9.331 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -9.348 -13.578 -0.701 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.427 -9.912 0.431 1.00 0.00 H new ATOM 0 HH TYR A 98 -7.287 -13.014 -1.368 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.692 -13.815 3.367 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.800 -15.311 3.095 1.00 0.00 C ATOM 1455 C GLN A 99 -11.456 -15.914 2.665 1.00 0.00 C ATOM 1456 O GLN A 99 -11.258 -16.294 1.527 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.851 -15.560 2.006 1.00 0.00 C ATOM 1458 CG GLN A 99 -13.409 -14.909 0.696 1.00 0.00 C ATOM 1459 CD GLN A 99 -14.639 -14.561 -0.142 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -15.349 -15.437 -0.597 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -14.922 -13.308 -0.369 1.00 0.00 N ATOM 0 H GLN A 99 -13.569 -13.389 3.666 1.00 0.00 H new ATOM 0 HA GLN A 99 -13.099 -15.798 4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.990 -16.631 1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -14.813 -15.153 2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.830 -14.009 0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -12.759 -15.586 0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.326 -12.573 0.013 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -15.739 -13.063 -0.928 1.00 0.00 H new ATOM 1470 N MET A 100 -10.520 -15.957 3.572 1.00 0.00 N ATOM 1471 CA MET A 100 -9.166 -16.475 3.242 1.00 0.00 C ATOM 1472 C MET A 100 -8.315 -16.480 4.514 1.00 0.00 C ATOM 1473 O MET A 100 -8.731 -15.999 5.548 1.00 0.00 O ATOM 1474 CB MET A 100 -8.520 -15.535 2.216 1.00 0.00 C ATOM 1475 CG MET A 100 -7.484 -16.294 1.383 1.00 0.00 C ATOM 1476 SD MET A 100 -7.099 -15.346 -0.110 1.00 0.00 S ATOM 1477 CE MET A 100 -5.961 -14.166 0.657 1.00 0.00 C ATOM 0 H MET A 100 -10.638 -15.652 4.538 1.00 0.00 H new ATOM 0 HA MET A 100 -9.236 -17.485 2.837 1.00 0.00 H new ATOM 0 HB2 MET A 100 -9.286 -15.116 1.563 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.044 -14.698 2.727 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.579 -16.455 1.968 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.868 -17.278 1.113 1.00 0.00 H new ATOM 0 HE1 MET A 100 -5.420 -13.625 -0.119 1.00 0.00 H new ATOM 0 HE2 MET A 100 -6.525 -13.460 1.266 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.251 -14.702 1.287 1.00 0.00 H new ATOM 1487 N THR A 101 -7.120 -17.004 4.448 1.00 0.00 N ATOM 1488 CA THR A 101 -6.243 -17.017 5.654 1.00 0.00 C ATOM 1489 C THR A 101 -6.145 -15.589 6.219 1.00 0.00 C ATOM 1490 O THR A 101 -6.203 -14.635 5.468 1.00 0.00 O ATOM 1491 CB THR A 101 -4.847 -17.508 5.257 1.00 0.00 C ATOM 1492 OG1 THR A 101 -3.977 -17.424 6.377 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.304 -16.638 4.122 1.00 0.00 C ATOM 0 H THR A 101 -6.714 -17.423 3.612 1.00 0.00 H new ATOM 0 HA THR A 101 -6.660 -17.682 6.410 1.00 0.00 H new ATOM 0 HB THR A 101 -4.908 -18.544 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.085 -17.740 6.123 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.311 -16.987 3.839 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.970 -16.704 3.262 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.243 -15.602 4.455 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.002 -15.474 7.523 1.00 0.00 N ATOM 1502 CA PRO A 102 -5.904 -14.159 8.185 1.00 0.00 C ATOM 1503 C PRO A 102 -4.520 -13.540 7.973 1.00 0.00 C ATOM 1504 O PRO A 102 -3.521 -14.228 7.906 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.141 -14.477 9.663 1.00 0.00 C ATOM 1506 CG PRO A 102 -5.807 -15.976 9.846 1.00 0.00 C ATOM 1507 CD PRO A 102 -5.926 -16.623 8.455 1.00 0.00 C ATOM 0 HA PRO A 102 -6.616 -13.434 7.790 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.509 -13.858 10.300 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.174 -14.272 9.944 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.802 -16.103 10.248 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.494 -16.443 10.551 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.067 -17.257 8.236 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.813 -17.253 8.384 1.00 0.00 H new ATOM 1515 N THR A 103 -4.460 -12.240 7.871 1.00 0.00 N ATOM 1516 CA THR A 103 -3.149 -11.563 7.670 1.00 0.00 C ATOM 1517 C THR A 103 -3.110 -10.282 8.503 1.00 0.00 C ATOM 1518 O THR A 103 -3.933 -9.402 8.350 1.00 0.00 O ATOM 1519 CB THR A 103 -2.970 -11.217 6.179 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.678 -12.405 5.457 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.818 -10.213 5.992 1.00 0.00 C ATOM 0 H THR A 103 -5.266 -11.616 7.919 1.00 0.00 H new ATOM 0 HA THR A 103 -2.343 -12.226 7.984 1.00 0.00 H new ATOM 0 HB THR A 103 -3.891 -10.768 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.722 -12.222 4.495 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.706 -9.980 4.933 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.039 -9.299 6.543 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.892 -10.648 6.368 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.139 -10.156 9.358 1.00 0.00 N ATOM 1530 CA LYS A 104 -2.019 -8.919 10.167 1.00 0.00 C ATOM 1531 C LYS A 104 -0.909 -8.081 9.552 1.00 0.00 C ATOM 1532 O LYS A 104 0.099 -8.610 9.130 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.645 -9.266 11.609 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.951 -8.074 12.520 1.00 0.00 C ATOM 1535 CD LYS A 104 -1.708 -8.466 13.979 1.00 0.00 C ATOM 1536 CE LYS A 104 -2.659 -7.677 14.883 1.00 0.00 C ATOM 1537 NZ LYS A 104 -3.777 -8.560 15.321 1.00 0.00 N ATOM 0 H LYS A 104 -1.421 -10.860 9.531 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.966 -8.379 10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.203 -10.142 11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.587 -9.521 11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.320 -7.227 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.985 -7.757 12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.867 -9.536 14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.673 -8.262 14.254 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.121 -7.297 15.751 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.053 -6.813 14.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.423 -8.024 15.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.296 -8.902 14.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.393 -9.371 15.847 1.00 0.00 H new ATOM 1551 N VAL A 105 -1.067 -6.790 9.481 1.00 0.00 N ATOM 1552 CA VAL A 105 0.011 -5.963 8.874 1.00 0.00 C ATOM 1553 C VAL A 105 0.007 -4.557 9.462 1.00 0.00 C ATOM 1554 O VAL A 105 -1.029 -3.963 9.683 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.209 -5.854 7.359 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.347 -7.252 6.752 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.484 -5.051 7.061 1.00 0.00 C ATOM 0 H VAL A 105 -1.884 -6.277 9.812 1.00 0.00 H new ATOM 0 HA VAL A 105 0.966 -6.443 9.086 1.00 0.00 H new ATOM 0 HB VAL A 105 0.649 -5.344 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.503 -7.168 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.562 -7.823 6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.198 -7.762 7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.627 -4.982 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.342 -5.551 7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.389 -4.049 7.479 1.00 0.00 H new ATOM 1567 N LYS A 106 1.162 -3.995 9.641 1.00 0.00 N ATOM 1568 CA LYS A 106 1.236 -2.596 10.126 1.00 0.00 C ATOM 1569 C LYS A 106 1.296 -1.753 8.865 1.00 0.00 C ATOM 1570 O LYS A 106 2.193 -1.908 8.077 1.00 0.00 O ATOM 1571 CB LYS A 106 2.496 -2.379 10.976 1.00 0.00 C ATOM 1572 CG LYS A 106 3.737 -2.802 10.187 1.00 0.00 C ATOM 1573 CD LYS A 106 4.530 -3.835 10.990 1.00 0.00 C ATOM 1574 CE LYS A 106 5.389 -3.121 12.036 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.830 -3.259 11.677 1.00 0.00 N ATOM 0 H LYS A 106 2.062 -4.445 9.472 1.00 0.00 H new ATOM 0 HA LYS A 106 0.387 -2.337 10.759 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.576 -1.330 11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.427 -2.956 11.898 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.443 -3.222 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.361 -1.933 9.978 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.849 -4.532 11.478 1.00 0.00 H new ATOM 0 HD3 LYS A 106 5.163 -4.421 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 106 5.116 -2.067 12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.207 -3.546 13.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.413 -2.774 12.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.086 -4.267 11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 6.997 -2.833 10.743 1.00 0.00 H new ATOM 1589 N VAL A 107 0.329 -0.923 8.621 1.00 0.00 N ATOM 1590 CA VAL A 107 0.338 -0.144 7.349 1.00 0.00 C ATOM 1591 C VAL A 107 1.049 1.196 7.558 1.00 0.00 C ATOM 1592 O VAL A 107 1.229 1.665 8.667 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.134 0.068 6.830 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -2.078 -0.941 7.480 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.660 1.493 7.104 1.00 0.00 C ATOM 0 H VAL A 107 -0.464 -0.747 9.238 1.00 0.00 H new ATOM 0 HA VAL A 107 0.885 -0.704 6.591 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.106 -0.080 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.091 -0.781 7.111 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.756 -1.952 7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.061 -0.810 8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.678 1.584 6.726 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.653 1.683 8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.021 2.220 6.603 1.00 0.00 H new ATOM 1605 N HIS A 108 1.394 1.828 6.474 1.00 0.00 N ATOM 1606 CA HIS A 108 2.043 3.169 6.532 1.00 0.00 C ATOM 1607 C HIS A 108 1.850 3.817 5.167 1.00 0.00 C ATOM 1608 O HIS A 108 2.501 3.455 4.223 1.00 0.00 O ATOM 1609 CB HIS A 108 3.536 3.026 6.826 1.00 0.00 C ATOM 1610 CG HIS A 108 4.157 4.394 6.899 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.522 4.579 7.046 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.611 5.656 6.847 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.751 5.905 7.078 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.621 6.607 6.961 1.00 0.00 N ATOM 0 H HIS A 108 1.252 1.466 5.531 1.00 0.00 H new ATOM 0 HA HIS A 108 1.601 3.774 7.324 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.685 2.495 7.766 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.018 2.436 6.047 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.559 5.875 6.735 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.730 6.348 7.185 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.520 7.622 6.956 1.00 0.00 H new ATOM 1622 N MET A 109 0.928 4.732 5.039 1.00 0.00 N ATOM 1623 CA MET A 109 0.668 5.347 3.695 1.00 0.00 C ATOM 1624 C MET A 109 0.998 6.845 3.724 1.00 0.00 C ATOM 1625 O MET A 109 0.830 7.498 4.734 1.00 0.00 O ATOM 1626 CB MET A 109 -0.824 5.166 3.312 1.00 0.00 C ATOM 1627 CG MET A 109 -1.551 4.199 4.274 1.00 0.00 C ATOM 1628 SD MET A 109 -2.261 5.138 5.650 1.00 0.00 S ATOM 1629 CE MET A 109 -3.904 5.390 4.935 1.00 0.00 C ATOM 0 H MET A 109 0.344 5.082 5.799 1.00 0.00 H new ATOM 0 HA MET A 109 1.301 4.851 2.959 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.323 6.135 3.325 1.00 0.00 H new ATOM 0 HB3 MET A 109 -0.894 4.786 2.293 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.337 3.662 3.742 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.853 3.451 4.651 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.537 5.913 5.652 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.818 5.985 4.026 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.349 4.424 4.696 1.00 0.00 H new ATOM 1639 N LYS A 110 1.461 7.413 2.626 1.00 0.00 N ATOM 1640 CA LYS A 110 1.776 8.876 2.648 1.00 0.00 C ATOM 1641 C LYS A 110 1.431 9.492 1.289 1.00 0.00 C ATOM 1642 O LYS A 110 0.979 8.813 0.391 1.00 0.00 O ATOM 1643 CB LYS A 110 3.266 9.073 2.945 1.00 0.00 C ATOM 1644 CG LYS A 110 3.470 10.276 3.868 1.00 0.00 C ATOM 1645 CD LYS A 110 4.969 10.549 4.020 1.00 0.00 C ATOM 1646 CE LYS A 110 5.524 9.726 5.184 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.978 10.017 5.354 1.00 0.00 N ATOM 0 H LYS A 110 1.629 6.937 1.740 1.00 0.00 H new ATOM 0 HA LYS A 110 1.188 9.366 3.424 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.672 8.175 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.812 9.224 2.014 1.00 0.00 H new ATOM 0 HG2 LYS A 110 2.969 11.153 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.024 10.081 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.491 10.292 3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.140 11.611 4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.985 9.965 6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.375 8.663 4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.354 9.457 6.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.486 9.768 4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.108 11.029 5.554 1.00 0.00 H new ATOM 1661 N LYS A 111 1.636 10.771 1.128 1.00 0.00 N ATOM 1662 CA LYS A 111 1.317 11.419 -0.174 1.00 0.00 C ATOM 1663 C LYS A 111 2.522 11.303 -1.102 1.00 0.00 C ATOM 1664 O LYS A 111 3.524 11.968 -0.926 1.00 0.00 O ATOM 1665 CB LYS A 111 0.981 12.895 0.043 1.00 0.00 C ATOM 1666 CG LYS A 111 2.030 13.536 0.953 1.00 0.00 C ATOM 1667 CD LYS A 111 2.525 14.839 0.324 1.00 0.00 C ATOM 1668 CE LYS A 111 3.928 15.155 0.840 1.00 0.00 C ATOM 1669 NZ LYS A 111 4.935 14.756 -0.185 1.00 0.00 N ATOM 0 H LYS A 111 2.011 11.395 1.843 1.00 0.00 H new ATOM 0 HA LYS A 111 0.457 10.921 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.950 13.415 -0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.009 12.990 0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.602 13.734 1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.865 12.851 1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.538 14.749 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.844 15.654 0.568 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.016 16.219 1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.112 14.623 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.869 14.663 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.660 13.845 -0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 4.979 15.481 -0.929 1.00 0.00 H new ATOM 1683 N ALA A 112 2.431 10.459 -2.086 1.00 0.00 N ATOM 1684 CA ALA A 112 3.563 10.290 -3.031 1.00 0.00 C ATOM 1685 C ALA A 112 3.926 11.644 -3.643 1.00 0.00 C ATOM 1686 O ALA A 112 3.067 12.424 -4.003 1.00 0.00 O ATOM 1687 CB ALA A 112 3.146 9.315 -4.130 1.00 0.00 C ATOM 0 H ALA A 112 1.616 9.876 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 112 4.433 9.897 -2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.970 9.183 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.890 8.353 -3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.280 9.712 -4.659 1.00 0.00 H new ATOM 1693 N LEU A 113 5.194 11.935 -3.756 1.00 0.00 N ATOM 1694 CA LEU A 113 5.605 13.245 -4.337 1.00 0.00 C ATOM 1695 C LEU A 113 5.932 13.074 -5.821 1.00 0.00 C ATOM 1696 O LEU A 113 6.658 13.858 -6.400 1.00 0.00 O ATOM 1697 CB LEU A 113 6.839 13.775 -3.598 1.00 0.00 C ATOM 1698 CG LEU A 113 7.869 12.655 -3.439 1.00 0.00 C ATOM 1699 CD1 LEU A 113 9.263 13.196 -3.756 1.00 0.00 C ATOM 1700 CD2 LEU A 113 7.840 12.141 -1.998 1.00 0.00 C ATOM 0 H LEU A 113 5.960 11.325 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 113 4.786 13.956 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.275 14.607 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.551 14.158 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 113 7.630 11.841 -4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.997 12.398 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 113 9.285 13.567 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.502 14.009 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.573 11.343 -1.882 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.080 12.957 -1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.846 11.757 -1.769 1.00 0.00 H new ATOM 1742 N SER A 117 0.025 11.800 -5.386 1.00 0.00 N ATOM 1743 CA SER A 117 -0.684 10.490 -5.354 1.00 0.00 C ATOM 1744 C SER A 117 -0.911 10.053 -3.905 1.00 0.00 C ATOM 1745 O SER A 117 -0.903 10.854 -2.991 1.00 0.00 O ATOM 1746 CB SER A 117 0.155 9.437 -6.078 1.00 0.00 C ATOM 1747 OG SER A 117 0.574 9.954 -7.335 1.00 0.00 O ATOM 0 HA SER A 117 -1.648 10.595 -5.851 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.022 9.168 -5.475 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.427 8.527 -6.222 1.00 0.00 H new ATOM 0 HG SER A 117 0.735 10.917 -7.255 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.127 8.783 -3.693 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.373 8.277 -2.310 1.00 0.00 C ATOM 1755 C TYR A 118 -0.846 6.846 -2.211 1.00 0.00 C ATOM 1756 O TYR A 118 -1.472 5.924 -2.700 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.883 8.269 -2.045 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.478 9.572 -2.484 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.298 10.723 -1.716 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.212 9.618 -3.667 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.857 11.930 -2.139 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -4.771 10.818 -4.092 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.596 11.980 -3.330 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.150 13.172 -3.749 1.00 0.00 O ATOM 0 H TYR A 118 -1.144 8.070 -4.422 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.871 8.914 -1.582 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.352 7.444 -2.582 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.075 8.109 -0.984 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.729 10.680 -0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.347 8.722 -4.254 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.721 12.825 -1.550 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.340 10.854 -5.009 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.628 13.032 -4.593 1.00 0.00 H new ATOM 1774 N TRP A 119 0.295 6.634 -1.603 1.00 0.00 N ATOM 1775 CA TRP A 119 0.806 5.241 -1.522 1.00 0.00 C ATOM 1776 C TRP A 119 0.609 4.640 -0.141 1.00 0.00 C ATOM 1777 O TRP A 119 0.617 5.311 0.862 1.00 0.00 O ATOM 1778 CB TRP A 119 2.262 5.147 -1.991 1.00 0.00 C ATOM 1779 CG TRP A 119 3.165 6.107 -1.295 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.759 7.166 -1.863 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.636 6.057 0.057 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.567 7.786 -0.928 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.526 7.126 0.281 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.366 5.186 1.091 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.138 7.313 1.517 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.975 5.357 2.342 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.863 6.419 2.553 1.00 0.00 C ATOM 0 H TRP A 119 0.879 7.349 -1.170 1.00 0.00 H new ATOM 0 HA TRP A 119 0.210 4.640 -2.209 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.625 4.132 -1.827 1.00 0.00 H new ATOM 0 HB3 TRP A 119 2.304 5.331 -3.064 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.627 7.484 -2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 119 5.121 8.623 -1.109 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.680 4.366 0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.817 8.139 1.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.759 4.668 3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.335 6.546 3.516 1.00 0.00 H new ATOM 1798 N VAL A 120 0.400 3.351 -0.110 1.00 0.00 N ATOM 1799 CA VAL A 120 0.164 2.640 1.174 1.00 0.00 C ATOM 1800 C VAL A 120 1.074 1.415 1.257 1.00 0.00 C ATOM 1801 O VAL A 120 0.864 0.423 0.587 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.289 2.170 1.239 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.581 1.644 2.644 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.234 3.333 0.917 1.00 0.00 C ATOM 0 H VAL A 120 0.383 2.753 -0.936 1.00 0.00 H new ATOM 0 HA VAL A 120 0.375 3.319 2.000 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.446 1.377 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.616 1.307 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.915 0.810 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.420 2.440 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.267 2.987 0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.085 4.134 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.024 3.706 -0.085 1.00 0.00 H new ATOM 1814 N PHE A 121 2.075 1.473 2.079 1.00 0.00 N ATOM 1815 CA PHE A 121 2.999 0.317 2.222 1.00 0.00 C ATOM 1816 C PHE A 121 2.510 -0.593 3.342 1.00 0.00 C ATOM 1817 O PHE A 121 2.348 -0.165 4.466 1.00 0.00 O ATOM 1818 CB PHE A 121 4.402 0.807 2.596 1.00 0.00 C ATOM 1819 CG PHE A 121 4.848 1.940 1.699 1.00 0.00 C ATOM 1820 CD1 PHE A 121 4.322 2.087 0.411 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.811 2.839 2.164 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.759 3.127 -0.413 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.251 3.881 1.341 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.729 4.021 0.050 1.00 0.00 C ATOM 0 H PHE A 121 2.297 2.278 2.665 1.00 0.00 H new ATOM 0 HA PHE A 121 3.028 -0.220 1.274 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.408 1.139 3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 121 5.110 -0.019 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.575 1.394 0.052 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.216 2.729 3.159 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.348 3.240 -1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.993 4.577 1.702 1.00 0.00 H new ATOM 0 HZ PHE A 121 6.076 4.820 -0.589 1.00 0.00 H new ATOM 1834 N VAL A 122 2.290 -1.844 3.059 1.00 0.00 N ATOM 1835 CA VAL A 122 1.838 -2.758 4.130 1.00 0.00 C ATOM 1836 C VAL A 122 3.001 -3.653 4.543 1.00 0.00 C ATOM 1837 O VAL A 122 3.496 -4.452 3.780 1.00 0.00 O ATOM 1838 CB VAL A 122 0.624 -3.576 3.635 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.645 -5.023 4.155 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.644 -2.905 4.144 1.00 0.00 C ATOM 0 H VAL A 122 2.404 -2.267 2.138 1.00 0.00 H new ATOM 0 HA VAL A 122 1.518 -2.194 5.006 1.00 0.00 H new ATOM 0 HB VAL A 122 0.661 -3.608 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.228 -5.557 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.551 -5.521 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.627 -5.018 5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.514 -3.467 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.630 -2.880 5.234 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.697 -1.887 3.758 1.00 0.00 H new ATOM 1850 N LYS A 123 3.409 -3.525 5.764 1.00 0.00 N ATOM 1851 CA LYS A 123 4.523 -4.364 6.284 1.00 0.00 C ATOM 1852 C LYS A 123 3.920 -5.579 6.986 1.00 0.00 C ATOM 1853 O LYS A 123 3.346 -5.459 8.049 1.00 0.00 O ATOM 1854 CB LYS A 123 5.337 -3.543 7.283 1.00 0.00 C ATOM 1855 CG LYS A 123 6.787 -4.015 7.288 1.00 0.00 C ATOM 1856 CD LYS A 123 7.715 -2.810 7.119 1.00 0.00 C ATOM 1857 CE LYS A 123 9.156 -3.221 7.421 1.00 0.00 C ATOM 1858 NZ LYS A 123 9.337 -3.347 8.895 1.00 0.00 N ATOM 0 H LYS A 123 3.016 -2.867 6.438 1.00 0.00 H new ATOM 0 HA LYS A 123 5.172 -4.689 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.291 -2.486 7.020 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.910 -3.642 8.281 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.010 -4.531 8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.951 -4.730 6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.643 -2.423 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 123 7.408 -2.006 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.385 -4.168 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.848 -2.481 7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.317 -3.104 9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.684 -2.700 9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.137 -4.325 9.187 1.00 0.00 H new ATOM 1872 N ARG A 124 4.019 -6.743 6.406 1.00 0.00 N ATOM 1873 CA ARG A 124 3.415 -7.935 7.070 1.00 0.00 C ATOM 1874 C ARG A 124 4.010 -8.101 8.468 1.00 0.00 C ATOM 1875 O ARG A 124 5.213 -8.110 8.648 1.00 0.00 O ATOM 1876 CB ARG A 124 3.673 -9.190 6.235 1.00 0.00 C ATOM 1877 CG ARG A 124 2.947 -10.377 6.872 1.00 0.00 C ATOM 1878 CD ARG A 124 3.011 -11.579 5.930 1.00 0.00 C ATOM 1879 NE ARG A 124 4.102 -12.493 6.370 1.00 0.00 N ATOM 1880 CZ ARG A 124 4.427 -13.521 5.638 1.00 0.00 C ATOM 1881 NH1 ARG A 124 4.841 -13.344 4.414 1.00 0.00 N ATOM 1882 NH2 ARG A 124 4.338 -14.727 6.129 1.00 0.00 N ATOM 0 H ARG A 124 4.484 -6.921 5.516 1.00 0.00 H new ATOM 0 HA ARG A 124 2.338 -7.789 7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.323 -9.040 5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.743 -9.390 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.406 -10.627 7.829 1.00 0.00 H new ATOM 0 HG3 ARG A 124 1.908 -10.115 7.075 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.057 -12.107 5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.191 -11.245 4.908 1.00 0.00 H new ATOM 0 HE ARG A 124 4.595 -12.314 7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 124 4.910 -12.401 4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 124 5.096 -14.148 3.840 1.00 0.00 H new ATOM 0 HH21 ARG A 124 4.014 -14.865 7.086 1.00 0.00 H new ATOM 0 HH22 ARG A 124 4.593 -15.531 5.556 1.00 0.00 H new ATOM 1896 N VAL A 125 3.172 -8.223 9.462 1.00 0.00 N ATOM 1897 CA VAL A 125 3.677 -8.375 10.857 1.00 0.00 C ATOM 1898 C VAL A 125 3.931 -9.857 11.143 1.00 0.00 C ATOM 1899 O VAL A 125 5.068 -10.200 11.422 1.00 0.00 O ATOM 1900 CB VAL A 125 2.648 -7.829 11.864 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.381 -7.231 13.052 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.801 -6.724 11.236 1.00 0.00 C ATOM 1903 OXT VAL A 125 2.984 -10.625 11.076 1.00 0.00 O ATOM 0 H VAL A 125 2.156 -8.224 9.368 1.00 0.00 H new ATOM 0 HA VAL A 125 4.604 -7.811 10.961 1.00 0.00 H new ATOM 0 HB VAL A 125 2.004 -8.653 12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.657 -6.843 13.768 1.00 0.00 H new ATOM 0 HG12 VAL A 125 3.988 -8.000 13.530 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.025 -6.420 12.712 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.082 -6.356 11.968 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.448 -5.906 10.919 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.268 -7.121 10.372 1.00 0.00 H new