USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 35 GLN : amide:sc= -1.15 K(o=-2.4,f=-3.6!) USER MOD Set 1.2: A 37 TYR OH : rot 30:sc= -1.28 USER MOD Set 2.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 93 MET CE :methyl -170:sc= -8.12! (180deg=-8.45!) USER MOD Single : A 10 LYS NZ :NH3+ 140:sc= 0.0565 (180deg=0) USER MOD Single : A 11 MET CE :methyl -156:sc= -4.52! (180deg=-6.48!) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.0136 (180deg=-0.507) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.3!) USER MOD Single : A 25 GLN : amide:sc= -0.397 K(o=-0.4,f=-3.7!) USER MOD Single : A 26 GLN : amide:sc= -1.55 K(o=-1.6,f=-5!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.346 USER MOD Single : A 39 TYR OH : rot 180:sc= 0.0218 USER MOD Single : A 48 GLN : amide:sc= -0.0984 K(o=-0.098,f=-1.5) USER MOD Single : A 50 CYS SG : rot 26:sc= 1.01 USER MOD Single : A 51 MET CE :methyl -175:sc= -1.83 (180deg=-1.92!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 120:sc= -2.75! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -35:sc= -0.335 USER MOD Single : A 90 TYR OH : rot -132:sc= 0.255 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 100 MET CE :methyl 129:sc= -0.617 (180deg=-1.57!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ILE A 9 -6.521 8.600 9.030 1.00 0.00 N ATOM 81 CA ILE A 9 -7.875 8.075 9.027 1.00 0.00 C ATOM 82 C ILE A 9 -7.833 6.566 9.278 1.00 0.00 C ATOM 83 O ILE A 9 -8.496 6.065 10.185 1.00 0.00 O ATOM 84 CB ILE A 9 -8.598 8.463 7.736 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.687 9.984 7.594 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.974 7.799 7.657 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.197 10.436 6.217 1.00 0.00 C ATOM 0 HA ILE A 9 -8.456 8.518 9.836 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.014 8.094 6.893 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.718 10.307 7.741 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.090 10.461 8.371 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.466 8.092 6.730 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.857 6.716 7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.580 8.116 8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.271 11.521 6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.159 10.133 6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.812 9.977 5.443 1.00 0.00 H new ATOM 99 N LYS A 10 -7.047 5.884 8.458 1.00 0.00 N ATOM 100 CA LYS A 10 -6.910 4.443 8.579 1.00 0.00 C ATOM 101 C LYS A 10 -5.428 4.085 8.709 1.00 0.00 C ATOM 102 O LYS A 10 -4.615 4.480 7.874 1.00 0.00 O ATOM 103 CB LYS A 10 -7.614 3.738 7.418 1.00 0.00 C ATOM 104 CG LYS A 10 -8.061 2.331 7.821 1.00 0.00 C ATOM 105 CD LYS A 10 -7.016 1.288 7.423 1.00 0.00 C ATOM 106 CE LYS A 10 -7.678 0.059 6.796 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.390 -1.151 7.598 1.00 0.00 N ATOM 0 H LYS A 10 -6.498 6.303 7.707 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.404 4.088 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.479 4.322 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.941 3.679 6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.226 2.293 8.898 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.013 2.098 7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.311 1.726 6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.443 0.989 8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.755 0.212 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.314 -0.077 5.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.242 -1.745 7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.619 -1.688 7.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.106 -0.871 8.558 1.00 0.00 H new ATOM 121 N MET A 11 -5.121 3.341 9.761 1.00 0.00 N ATOM 122 CA MET A 11 -3.751 2.925 10.010 1.00 0.00 C ATOM 123 C MET A 11 -3.656 1.404 10.148 1.00 0.00 C ATOM 124 O MET A 11 -4.475 0.786 10.826 1.00 0.00 O ATOM 125 CB MET A 11 -3.242 3.587 11.292 1.00 0.00 C ATOM 126 CG MET A 11 -3.530 5.090 11.284 1.00 0.00 C ATOM 127 SD MET A 11 -4.677 5.497 12.590 1.00 0.00 S ATOM 128 CE MET A 11 -6.185 5.637 11.645 1.00 0.00 C ATOM 0 H MET A 11 -5.798 3.015 10.451 1.00 0.00 H new ATOM 0 HA MET A 11 -3.138 3.233 9.163 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.718 3.126 12.157 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.170 3.419 11.391 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.603 5.647 11.416 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.944 5.384 10.320 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.890 6.277 12.177 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.964 6.072 10.670 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.623 4.648 11.510 1.00 0.00 H new ATOM 138 N GLY A 12 -2.648 0.845 9.495 1.00 0.00 N ATOM 139 CA GLY A 12 -2.435 -0.592 9.536 1.00 0.00 C ATOM 140 C GLY A 12 -1.176 -0.982 8.758 1.00 0.00 C ATOM 141 O GLY A 12 -0.595 -0.156 8.057 1.00 0.00 O ATOM 0 H GLY A 12 -1.970 1.361 8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.343 -0.920 10.571 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.300 -1.104 9.115 1.00 0.00 H new ATOM 145 N TRP A 13 -0.793 -2.241 8.909 1.00 0.00 N ATOM 146 CA TRP A 13 0.386 -2.751 8.230 1.00 0.00 C ATOM 147 C TRP A 13 -0.071 -3.438 6.941 1.00 0.00 C ATOM 148 O TRP A 13 -1.113 -4.091 6.917 1.00 0.00 O ATOM 149 CB TRP A 13 1.190 -3.675 9.146 1.00 0.00 C ATOM 150 CG TRP A 13 2.046 -2.937 10.178 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.643 -2.063 11.110 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.476 -3.044 10.344 1.00 0.00 C ATOM 153 NE1 TRP A 13 2.704 -1.601 11.863 1.00 0.00 N ATOM 154 CE2 TRP A 13 3.853 -2.217 11.382 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.418 -3.815 9.641 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.179 -2.081 11.810 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.739 -3.668 10.081 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.136 -2.840 11.125 1.00 0.00 C ATOM 0 H TRP A 13 -1.278 -2.923 9.492 1.00 0.00 H new ATOM 0 HA TRP A 13 1.063 -1.937 7.970 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.502 -4.340 9.668 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.838 -4.303 8.534 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.617 -1.758 11.254 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.654 -0.931 12.631 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.144 -4.469 8.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.449 -1.426 12.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.503 -4.238 9.574 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.177 -2.782 11.406 1.00 0.00 H new ATOM 169 N LEU A 14 0.731 -3.267 5.901 1.00 0.00 N ATOM 170 CA LEU A 14 0.422 -3.862 4.612 1.00 0.00 C ATOM 171 C LEU A 14 1.712 -4.377 3.970 1.00 0.00 C ATOM 172 O LEU A 14 2.801 -3.898 4.286 1.00 0.00 O ATOM 173 CB LEU A 14 -0.348 -2.873 3.735 1.00 0.00 C ATOM 174 CG LEU A 14 -1.833 -2.703 4.062 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.392 -1.427 3.428 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.630 -3.943 3.652 1.00 0.00 C ATOM 0 H LEU A 14 1.595 -2.725 5.924 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.237 -4.721 4.738 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.134 -1.899 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.259 -3.193 2.697 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.935 -2.597 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.449 -1.330 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.849 -0.563 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.277 -1.478 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.682 -3.796 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.525 -4.105 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.251 -4.813 4.189 1.00 0.00 H new ATOM 188 N LYS A 15 1.548 -5.345 3.080 1.00 0.00 N ATOM 189 CA LYS A 15 2.686 -5.930 2.392 1.00 0.00 C ATOM 190 C LYS A 15 2.878 -5.227 1.046 1.00 0.00 C ATOM 191 O LYS A 15 2.008 -5.289 0.179 1.00 0.00 O ATOM 192 CB LYS A 15 2.521 -7.446 2.275 1.00 0.00 C ATOM 193 CG LYS A 15 3.563 -8.178 3.123 1.00 0.00 C ATOM 194 CD LYS A 15 3.604 -9.668 2.776 1.00 0.00 C ATOM 195 CE LYS A 15 3.007 -10.510 3.905 1.00 0.00 C ATOM 196 NZ LYS A 15 1.545 -10.654 3.727 1.00 0.00 N ATOM 0 H LYS A 15 0.644 -5.739 2.820 1.00 0.00 H new ATOM 0 HA LYS A 15 3.599 -5.776 2.967 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.519 -7.732 2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.619 -7.747 1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.546 -7.736 2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.329 -8.053 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.051 -9.846 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.634 -9.975 2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.476 -11.494 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.218 -10.042 4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.156 -11.228 4.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.100 -9.714 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.350 -11.121 2.818 1.00 0.00 H new ATOM 210 N LYS A 16 4.024 -4.574 0.914 1.00 0.00 N ATOM 211 CA LYS A 16 4.341 -3.860 -0.311 1.00 0.00 C ATOM 212 C LYS A 16 5.439 -4.613 -1.065 1.00 0.00 C ATOM 213 O LYS A 16 6.458 -4.980 -0.482 1.00 0.00 O ATOM 214 CB LYS A 16 4.694 -2.403 -0.006 1.00 0.00 C ATOM 215 CG LYS A 16 5.410 -1.752 -1.191 1.00 0.00 C ATOM 216 CD LYS A 16 5.936 -0.364 -0.820 1.00 0.00 C ATOM 217 CE LYS A 16 5.892 0.579 -2.024 1.00 0.00 C ATOM 218 NZ LYS A 16 6.436 -0.090 -3.226 1.00 0.00 N ATOM 0 H LYS A 16 4.744 -4.525 1.635 1.00 0.00 H new ATOM 0 HA LYS A 16 3.471 -3.823 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.786 -1.846 0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.330 -2.357 0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.238 -2.384 -1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.725 -1.671 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.339 0.050 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.960 -0.445 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.865 0.894 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.468 1.479 -1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.778 0.627 -3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.224 -0.711 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.689 -0.657 -3.676 1.00 0.00 H new ATOM 232 N GLN A 17 5.193 -4.822 -2.350 1.00 0.00 N ATOM 233 CA GLN A 17 6.148 -5.525 -3.190 1.00 0.00 C ATOM 234 C GLN A 17 7.453 -4.733 -3.287 1.00 0.00 C ATOM 235 O GLN A 17 7.441 -3.503 -3.265 1.00 0.00 O ATOM 236 CB GLN A 17 5.564 -5.791 -4.579 1.00 0.00 C ATOM 237 CG GLN A 17 6.202 -7.027 -5.215 1.00 0.00 C ATOM 238 CD GLN A 17 6.420 -6.822 -6.716 1.00 0.00 C ATOM 239 OE1 GLN A 17 7.350 -6.164 -7.150 1.00 0.00 O ATOM 240 NE2 GLN A 17 5.511 -7.421 -7.480 1.00 0.00 N ATOM 0 H GLN A 17 4.346 -4.517 -2.830 1.00 0.00 H new ATOM 0 HA GLN A 17 6.364 -6.490 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.486 -5.932 -4.503 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.727 -4.923 -5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.156 -7.238 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.563 -7.895 -5.052 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.757 -7.957 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.568 -7.344 -8.496 1.00 0.00 H new ATOM 341 N ASN A 23 9.109 -10.106 -3.937 1.00 0.00 N ATOM 342 CA ASN A 23 8.990 -10.369 -2.513 1.00 0.00 C ATOM 343 C ASN A 23 8.064 -9.327 -1.882 1.00 0.00 C ATOM 344 O ASN A 23 8.015 -8.182 -2.330 1.00 0.00 O ATOM 345 CB ASN A 23 10.350 -10.275 -1.820 1.00 0.00 C ATOM 346 CG ASN A 23 10.671 -11.566 -1.065 1.00 0.00 C ATOM 347 OD1 ASN A 23 9.796 -12.310 -0.655 1.00 0.00 O ATOM 348 ND2 ASN A 23 11.973 -11.789 -0.904 1.00 0.00 N ATOM 0 HA ASN A 23 8.591 -11.376 -2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.126 -10.080 -2.560 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.351 -9.434 -1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.290 -12.624 -0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.654 -11.125 -1.273 1.00 0.00 H new ATOM 355 N TRP A 24 7.353 -9.760 -0.851 1.00 0.00 N ATOM 356 CA TRP A 24 6.432 -8.879 -0.154 1.00 0.00 C ATOM 357 C TRP A 24 7.110 -8.410 1.134 1.00 0.00 C ATOM 358 O TRP A 24 7.629 -9.222 1.899 1.00 0.00 O ATOM 359 CB TRP A 24 5.091 -9.573 0.095 1.00 0.00 C ATOM 360 CG TRP A 24 4.387 -10.042 -1.180 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.559 -11.195 -1.841 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.386 -9.318 -1.926 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.746 -11.267 -2.953 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.010 -10.089 -3.006 1.00 0.00 C ATOM 365 CE3 TRP A 24 2.817 -8.053 -1.695 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.050 -9.683 -3.941 1.00 0.00 C ATOM 367 CZ3 TRP A 24 1.860 -7.661 -2.638 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.470 -8.426 -3.731 1.00 0.00 C ATOM 0 H TRP A 24 7.396 -10.710 -0.482 1.00 0.00 H new ATOM 0 HA TRP A 24 6.199 -8.006 -0.763 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.254 -10.433 0.745 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.433 -8.888 0.630 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.248 -11.971 -1.541 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.694 -12.042 -3.614 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.096 -7.433 -0.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.772 -10.306 -4.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.392 -6.697 -2.507 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.723 -8.052 -4.415 1.00 0.00 H new ATOM 379 N GLN A 25 7.085 -7.100 1.336 1.00 0.00 N ATOM 380 CA GLN A 25 7.691 -6.513 2.518 1.00 0.00 C ATOM 381 C GLN A 25 6.614 -5.918 3.428 1.00 0.00 C ATOM 382 O GLN A 25 5.925 -4.974 3.044 1.00 0.00 O ATOM 383 CB GLN A 25 8.730 -5.457 2.136 1.00 0.00 C ATOM 384 CG GLN A 25 9.515 -4.989 3.363 1.00 0.00 C ATOM 385 CD GLN A 25 10.646 -5.964 3.695 1.00 0.00 C ATOM 386 OE1 GLN A 25 10.467 -7.170 3.740 1.00 0.00 O ATOM 387 NE2 GLN A 25 11.816 -5.377 3.926 1.00 0.00 N ATOM 0 H GLN A 25 6.654 -6.429 0.700 1.00 0.00 H new ATOM 0 HA GLN A 25 8.207 -7.301 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.417 -5.869 1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.234 -4.605 1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.928 -3.997 3.179 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.843 -4.901 4.217 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.897 -4.362 3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.633 -5.942 4.157 1.00 0.00 H new ATOM 396 N GLN A 26 6.503 -6.495 4.615 1.00 0.00 N ATOM 397 CA GLN A 26 5.521 -6.033 5.582 1.00 0.00 C ATOM 398 C GLN A 26 5.944 -4.684 6.165 1.00 0.00 C ATOM 399 O GLN A 26 6.967 -4.589 6.842 1.00 0.00 O ATOM 400 CB GLN A 26 5.313 -7.068 6.689 1.00 0.00 C ATOM 401 CG GLN A 26 4.015 -6.801 7.453 1.00 0.00 C ATOM 402 CD GLN A 26 3.157 -8.065 7.536 1.00 0.00 C ATOM 403 OE1 GLN A 26 3.353 -9.028 6.814 1.00 0.00 O ATOM 404 NE2 GLN A 26 2.197 -8.008 8.455 1.00 0.00 N ATOM 0 H GLN A 26 7.076 -7.278 4.929 1.00 0.00 H new ATOM 0 HA GLN A 26 4.568 -5.902 5.069 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.285 -8.068 6.256 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.157 -7.043 7.379 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.247 -6.448 8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.454 -6.008 6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.087 -7.170 9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.571 -8.802 8.588 1.00 0.00 H new ATOM 413 N ARG A 27 5.136 -3.673 5.882 1.00 0.00 N ATOM 414 CA ARG A 27 5.414 -2.333 6.371 1.00 0.00 C ATOM 415 C ARG A 27 4.175 -1.748 7.052 1.00 0.00 C ATOM 416 O ARG A 27 3.104 -2.353 7.025 1.00 0.00 O ATOM 417 CB ARG A 27 5.844 -1.409 5.229 1.00 0.00 C ATOM 418 CG ARG A 27 7.070 -1.967 4.504 1.00 0.00 C ATOM 419 CD ARG A 27 8.297 -1.085 4.745 1.00 0.00 C ATOM 420 NE ARG A 27 9.429 -1.557 3.916 1.00 0.00 N ATOM 421 CZ ARG A 27 9.518 -1.375 2.592 1.00 0.00 C ATOM 422 NH1 ARG A 27 8.542 -0.730 1.937 1.00 0.00 N ATOM 423 NH2 ARG A 27 10.582 -1.837 1.922 1.00 0.00 N ATOM 0 H ARG A 27 4.289 -3.755 5.320 1.00 0.00 H new ATOM 0 HA ARG A 27 6.228 -2.405 7.092 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.022 -1.291 4.523 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.070 -0.418 5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.272 -2.980 4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.867 -2.030 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.064 -0.049 4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.572 -1.110 5.799 1.00 0.00 H new ATOM 0 HE ARG A 27 10.189 -2.052 4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.732 -0.378 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.610 -0.591 0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 27 11.325 -2.328 2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.649 -1.698 0.914 1.00 0.00 H new ATOM 437 N TYR A 28 4.362 -0.579 7.646 1.00 0.00 N ATOM 438 CA TYR A 28 3.272 0.094 8.333 1.00 0.00 C ATOM 439 C TYR A 28 2.714 1.239 7.486 1.00 0.00 C ATOM 440 O TYR A 28 3.326 2.301 7.391 1.00 0.00 O ATOM 441 CB TYR A 28 3.875 0.671 9.616 1.00 0.00 C ATOM 442 CG TYR A 28 2.840 1.233 10.592 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.499 1.215 10.262 1.00 0.00 C ATOM 444 CD2 TYR A 28 3.246 1.759 11.801 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.525 1.744 11.181 1.00 0.00 C ATOM 446 CE2 TYR A 28 2.271 2.288 12.720 1.00 0.00 C ATOM 447 CZ TYR A 28 0.959 2.255 12.364 1.00 0.00 C ATOM 448 OH TYR A 28 0.039 2.755 13.232 1.00 0.00 O ATOM 0 H TYR A 28 5.252 -0.080 7.666 1.00 0.00 H new ATOM 0 HA TYR A 28 2.455 -0.601 8.530 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.448 -0.108 10.119 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.577 1.462 9.352 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.181 0.804 9.315 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.295 1.774 12.058 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.527 1.735 10.936 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.575 2.701 13.670 1.00 0.00 H new ATOM 0 HH TYR A 28 0.493 3.085 14.036 1.00 0.00 H new ATOM 458 N PHE A 29 1.558 0.983 6.892 1.00 0.00 N ATOM 459 CA PHE A 29 0.910 1.979 6.056 1.00 0.00 C ATOM 460 C PHE A 29 -0.077 2.819 6.869 1.00 0.00 C ATOM 461 O PHE A 29 -0.879 2.279 7.629 1.00 0.00 O ATOM 462 CB PHE A 29 0.143 1.221 4.970 1.00 0.00 C ATOM 463 CG PHE A 29 0.967 0.926 3.716 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.783 -0.161 3.678 1.00 0.00 C ATOM 465 CD2 PHE A 29 0.885 1.752 2.638 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.549 -0.435 2.514 1.00 0.00 C ATOM 467 CE2 PHE A 29 1.650 1.478 1.474 1.00 0.00 C ATOM 468 CZ PHE A 29 2.466 0.390 1.436 1.00 0.00 C ATOM 0 H PHE A 29 1.053 0.100 6.973 1.00 0.00 H new ATOM 0 HA PHE A 29 1.656 2.652 5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.218 0.280 5.385 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.735 1.802 4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.849 -0.817 4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.238 2.616 2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.197 -1.298 2.485 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.584 2.134 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.048 0.182 0.550 1.00 0.00 H new ATOM 478 N VAL A 30 0.014 4.128 6.680 1.00 0.00 N ATOM 479 CA VAL A 30 -0.861 5.048 7.387 1.00 0.00 C ATOM 480 C VAL A 30 -1.542 5.974 6.377 1.00 0.00 C ATOM 481 O VAL A 30 -0.899 6.472 5.454 1.00 0.00 O ATOM 482 CB VAL A 30 -0.070 5.806 8.455 1.00 0.00 C ATOM 483 CG1 VAL A 30 -0.813 7.070 8.893 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.236 4.906 9.653 1.00 0.00 C ATOM 0 H VAL A 30 0.680 4.573 6.048 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.647 4.503 7.910 1.00 0.00 H new ATOM 0 HB VAL A 30 0.880 6.111 8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.229 7.590 9.653 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.955 7.725 8.033 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.784 6.797 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.799 5.470 10.397 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.698 4.556 10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.825 4.050 9.324 1.00 0.00 H new ATOM 494 N LEU A 31 -2.834 6.178 6.587 1.00 0.00 N ATOM 495 CA LEU A 31 -3.609 7.036 5.706 1.00 0.00 C ATOM 496 C LEU A 31 -3.827 8.391 6.383 1.00 0.00 C ATOM 497 O LEU A 31 -4.515 8.477 7.399 1.00 0.00 O ATOM 498 CB LEU A 31 -4.906 6.342 5.288 1.00 0.00 C ATOM 499 CG LEU A 31 -5.304 6.493 3.818 1.00 0.00 C ATOM 500 CD1 LEU A 31 -6.006 5.233 3.307 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.153 7.748 3.606 1.00 0.00 C ATOM 0 H LEU A 31 -3.364 5.764 7.354 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.063 7.225 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.814 5.279 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.717 6.729 5.905 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.395 6.616 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.278 5.367 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.335 4.379 3.401 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.906 5.054 3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.422 7.832 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.059 7.680 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.583 8.628 3.906 1.00 0.00 H new ATOM 513 N ARG A 32 -3.228 9.415 5.793 1.00 0.00 N ATOM 514 CA ARG A 32 -3.348 10.761 6.327 1.00 0.00 C ATOM 515 C ARG A 32 -3.797 11.728 5.230 1.00 0.00 C ATOM 516 O ARG A 32 -3.296 11.676 4.107 1.00 0.00 O ATOM 517 CB ARG A 32 -2.019 11.243 6.910 1.00 0.00 C ATOM 518 CG ARG A 32 -2.086 11.323 8.436 1.00 0.00 C ATOM 519 CD ARG A 32 -1.177 12.433 8.968 1.00 0.00 C ATOM 520 NE ARG A 32 0.240 12.020 8.863 1.00 0.00 N ATOM 521 CZ ARG A 32 1.271 12.750 9.309 1.00 0.00 C ATOM 522 NH1 ARG A 32 1.049 13.936 9.893 1.00 0.00 N ATOM 523 NH2 ARG A 32 2.524 12.296 9.171 1.00 0.00 N ATOM 0 H ARG A 32 -2.658 9.340 4.950 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.093 10.737 7.123 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.220 10.564 6.613 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.773 12.223 6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.113 11.508 8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.789 10.367 8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.340 13.350 8.402 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.425 12.651 10.007 1.00 0.00 H new ATOM 0 HE ARG A 32 0.445 11.123 8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.095 14.282 9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.834 14.492 10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.693 11.394 8.726 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.308 12.852 9.511 1.00 0.00 H new ATOM 537 N ALA A 33 -4.736 12.590 5.592 1.00 0.00 N ATOM 538 CA ALA A 33 -5.258 13.568 4.653 1.00 0.00 C ATOM 539 C ALA A 33 -5.467 12.900 3.292 1.00 0.00 C ATOM 540 O ALA A 33 -5.894 11.749 3.220 1.00 0.00 O ATOM 541 CB ALA A 33 -4.304 14.761 4.576 1.00 0.00 C ATOM 0 H ALA A 33 -5.149 12.631 6.524 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.225 13.944 4.988 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.695 15.495 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.212 15.217 5.562 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.324 14.422 4.240 1.00 0.00 H new ATOM 547 N GLN A 34 -5.157 13.652 2.246 1.00 0.00 N ATOM 548 CA GLN A 34 -5.305 13.148 0.892 1.00 0.00 C ATOM 549 C GLN A 34 -3.966 12.624 0.370 1.00 0.00 C ATOM 550 O GLN A 34 -3.505 13.036 -0.693 1.00 0.00 O ATOM 551 CB GLN A 34 -5.871 14.225 -0.036 1.00 0.00 C ATOM 552 CG GLN A 34 -7.184 14.787 0.513 1.00 0.00 C ATOM 553 CD GLN A 34 -7.463 16.181 -0.053 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.259 16.363 -0.959 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.765 17.151 0.530 1.00 0.00 N ATOM 0 H GLN A 34 -4.804 14.607 2.309 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.014 12.321 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.146 15.031 -0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.038 13.805 -1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.005 14.117 0.259 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.136 14.835 1.601 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.115 16.929 1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.880 18.117 0.223 1.00 0.00 H new ATOM 564 N GLN A 35 -3.378 11.722 1.143 1.00 0.00 N ATOM 565 CA GLN A 35 -2.101 11.137 0.773 1.00 0.00 C ATOM 566 C GLN A 35 -1.864 9.841 1.551 1.00 0.00 C ATOM 567 O GLN A 35 -2.192 9.755 2.734 1.00 0.00 O ATOM 568 CB GLN A 35 -0.958 12.129 0.998 1.00 0.00 C ATOM 569 CG GLN A 35 -0.672 12.934 -0.271 1.00 0.00 C ATOM 570 CD GLN A 35 0.735 13.534 -0.234 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.695 12.963 -0.726 1.00 0.00 O ATOM 572 NE2 GLN A 35 0.804 14.714 0.376 1.00 0.00 N ATOM 0 H GLN A 35 -3.763 11.382 2.024 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.128 10.899 -0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.215 12.806 1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.060 11.591 1.302 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.774 12.291 -1.145 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.408 13.731 -0.374 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.038 15.136 0.766 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.699 15.196 0.454 1.00 0.00 H new ATOM 581 N LEU A 36 -1.297 8.866 0.856 1.00 0.00 N ATOM 582 CA LEU A 36 -1.013 7.579 1.467 1.00 0.00 C ATOM 583 C LEU A 36 0.475 7.502 1.815 1.00 0.00 C ATOM 584 O LEU A 36 1.329 7.730 0.960 1.00 0.00 O ATOM 585 CB LEU A 36 -1.494 6.440 0.566 1.00 0.00 C ATOM 586 CG LEU A 36 -1.363 5.028 1.142 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.107 4.622 1.269 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.109 4.907 2.472 1.00 0.00 C ATOM 0 H LEU A 36 -1.027 8.942 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.565 7.470 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.541 6.615 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.936 6.483 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.830 4.330 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.172 3.615 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.577 4.643 0.286 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.621 5.319 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.000 3.894 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.694 5.616 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.166 5.124 2.317 1.00 0.00 H new ATOM 600 N TYR A 37 0.740 7.179 3.073 1.00 0.00 N ATOM 601 CA TYR A 37 2.110 7.069 3.544 1.00 0.00 C ATOM 602 C TYR A 37 2.391 5.667 4.090 1.00 0.00 C ATOM 603 O TYR A 37 1.469 4.878 4.288 1.00 0.00 O ATOM 604 CB TYR A 37 2.247 8.083 4.681 1.00 0.00 C ATOM 605 CG TYR A 37 1.694 9.470 4.349 1.00 0.00 C ATOM 606 CD1 TYR A 37 2.505 10.411 3.748 1.00 0.00 C ATOM 607 CD2 TYR A 37 0.383 9.779 4.650 1.00 0.00 C ATOM 608 CE1 TYR A 37 1.983 11.716 3.435 1.00 0.00 C ATOM 609 CE2 TYR A 37 -0.139 11.085 4.337 1.00 0.00 C ATOM 610 CZ TYR A 37 0.687 11.989 3.745 1.00 0.00 C ATOM 611 OH TYR A 37 0.195 13.221 3.449 1.00 0.00 O ATOM 0 H TYR A 37 0.029 6.990 3.780 1.00 0.00 H new ATOM 0 HA TYR A 37 2.812 7.255 2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.731 7.699 5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.300 8.177 4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.531 10.169 3.513 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.251 9.042 5.120 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.607 12.462 2.964 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.163 11.340 4.567 1.00 0.00 H new ATOM 0 HH TYR A 37 0.656 13.577 2.661 1.00 0.00 H new ATOM 621 N TYR A 38 3.669 5.401 4.318 1.00 0.00 N ATOM 622 CA TYR A 38 4.083 4.108 4.837 1.00 0.00 C ATOM 623 C TYR A 38 5.469 4.193 5.479 1.00 0.00 C ATOM 624 O TYR A 38 6.422 4.650 4.848 1.00 0.00 O ATOM 625 CB TYR A 38 4.150 3.171 3.629 1.00 0.00 C ATOM 626 CG TYR A 38 5.506 3.164 2.921 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.554 2.435 3.445 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.681 3.888 1.759 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.830 2.428 2.778 1.00 0.00 C ATOM 630 CE2 TYR A 38 6.958 3.881 1.093 1.00 0.00 C ATOM 631 CZ TYR A 38 7.969 3.152 1.635 1.00 0.00 C ATOM 632 OH TYR A 38 9.175 3.146 1.006 1.00 0.00 O ATOM 0 H TYR A 38 4.431 6.058 4.153 1.00 0.00 H new ATOM 0 HA TYR A 38 3.386 3.759 5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.917 2.157 3.955 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.380 3.461 2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.417 1.870 4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.861 4.459 1.350 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.658 1.861 3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.109 4.443 0.183 1.00 0.00 H new ATOM 0 HH TYR A 38 9.128 3.705 0.203 1.00 0.00 H new ATOM 642 N TYR A 39 5.537 3.748 6.724 1.00 0.00 N ATOM 643 CA TYR A 39 6.791 3.768 7.458 1.00 0.00 C ATOM 644 C TYR A 39 7.338 2.352 7.649 1.00 0.00 C ATOM 645 O TYR A 39 6.583 1.381 7.618 1.00 0.00 O ATOM 646 CB TYR A 39 6.467 4.365 8.829 1.00 0.00 C ATOM 647 CG TYR A 39 5.736 5.707 8.766 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.396 5.748 8.436 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.415 6.877 9.040 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.707 7.011 8.377 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.726 8.140 8.980 1.00 0.00 C ATOM 652 CZ TYR A 39 4.406 8.145 8.652 1.00 0.00 C ATOM 653 OH TYR A 39 3.756 9.338 8.596 1.00 0.00 O ATOM 0 H TYR A 39 4.744 3.371 7.244 1.00 0.00 H new ATOM 0 HA TYR A 39 7.543 4.343 6.917 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.856 3.656 9.387 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.395 4.494 9.386 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.864 4.833 8.222 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.463 6.845 9.299 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.659 7.057 8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.246 9.063 9.191 1.00 0.00 H new ATOM 0 HH TYR A 39 4.380 10.061 8.817 1.00 0.00 H new ATOM 789 N GLN A 48 8.054 7.249 4.364 1.00 0.00 N ATOM 790 CA GLN A 48 8.984 6.795 3.345 1.00 0.00 C ATOM 791 C GLN A 48 8.499 7.216 1.957 1.00 0.00 C ATOM 792 O GLN A 48 9.247 7.820 1.190 1.00 0.00 O ATOM 793 CB GLN A 48 9.183 5.280 3.420 1.00 0.00 C ATOM 794 CG GLN A 48 10.158 4.909 4.539 1.00 0.00 C ATOM 795 CD GLN A 48 11.605 5.165 4.113 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.882 5.676 3.041 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.509 4.782 5.010 1.00 0.00 N ATOM 0 HA GLN A 48 9.950 7.265 3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.224 4.792 3.592 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.561 4.912 2.466 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.930 5.490 5.432 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.033 3.859 4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.209 4.360 5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.503 4.910 4.819 1.00 0.00 H new ATOM 806 N GLY A 49 7.248 6.881 1.675 1.00 0.00 N ATOM 807 CA GLY A 49 6.654 7.217 0.393 1.00 0.00 C ATOM 808 C GLY A 49 5.363 8.018 0.579 1.00 0.00 C ATOM 809 O GLY A 49 4.850 8.124 1.692 1.00 0.00 O ATOM 0 H GLY A 49 6.630 6.380 2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.363 7.795 -0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.443 6.304 -0.164 1.00 0.00 H new ATOM 813 N CYS A 50 4.876 8.561 -0.527 1.00 0.00 N ATOM 814 CA CYS A 50 3.656 9.349 -0.499 1.00 0.00 C ATOM 815 C CYS A 50 2.947 9.184 -1.845 1.00 0.00 C ATOM 816 O CYS A 50 3.506 9.514 -2.890 1.00 0.00 O ATOM 817 CB CYS A 50 3.938 10.818 -0.179 1.00 0.00 C ATOM 818 SG CYS A 50 4.836 11.600 -1.568 1.00 0.00 S ATOM 0 H CYS A 50 5.304 8.471 -1.448 1.00 0.00 H new ATOM 0 HA CYS A 50 3.007 8.990 0.299 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.002 11.345 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.528 10.893 0.734 1.00 0.00 H new ATOM 0 HG CYS A 50 4.560 10.971 -2.672 1.00 0.00 H new ATOM 824 N MET A 51 1.726 8.674 -1.776 1.00 0.00 N ATOM 825 CA MET A 51 0.935 8.462 -2.976 1.00 0.00 C ATOM 826 C MET A 51 -0.320 9.337 -2.968 1.00 0.00 C ATOM 827 O MET A 51 -1.167 9.206 -2.086 1.00 0.00 O ATOM 828 CB MET A 51 0.530 6.989 -3.067 1.00 0.00 C ATOM 829 CG MET A 51 0.577 6.496 -4.514 1.00 0.00 C ATOM 830 SD MET A 51 2.154 5.729 -4.846 1.00 0.00 S ATOM 831 CE MET A 51 1.691 4.628 -6.173 1.00 0.00 C ATOM 0 H MET A 51 1.265 8.401 -0.908 1.00 0.00 H new ATOM 0 HA MET A 51 1.540 8.736 -3.840 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.198 6.386 -2.452 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.476 6.859 -2.667 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.228 5.783 -4.690 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.418 7.331 -5.197 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.543 4.004 -6.442 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.866 3.994 -5.849 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.381 5.212 -7.039 1.00 0.00 H new ATOM 841 N TYR A 52 -0.399 10.212 -3.960 1.00 0.00 N ATOM 842 CA TYR A 52 -1.536 11.109 -4.078 1.00 0.00 C ATOM 843 C TYR A 52 -2.825 10.328 -4.339 1.00 0.00 C ATOM 844 O TYR A 52 -3.037 9.822 -5.440 1.00 0.00 O ATOM 845 CB TYR A 52 -1.243 12.004 -5.284 1.00 0.00 C ATOM 846 CG TYR A 52 -1.880 13.392 -5.198 1.00 0.00 C ATOM 847 CD1 TYR A 52 -1.875 14.081 -4.002 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.461 13.956 -6.316 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.474 15.388 -3.921 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.061 15.262 -6.235 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.038 15.914 -5.041 1.00 0.00 C ATOM 852 OH TYR A 52 -3.604 17.148 -4.965 1.00 0.00 O ATOM 0 H TYR A 52 0.306 10.319 -4.689 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.674 11.678 -3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.164 12.117 -5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.599 11.508 -6.187 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.422 13.640 -3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.465 13.417 -7.252 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.475 15.938 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.519 15.714 -7.102 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.966 17.396 -5.841 1.00 0.00 H new ATOM 862 N LEU A 53 -3.653 10.255 -3.307 1.00 0.00 N ATOM 863 CA LEU A 53 -4.916 9.544 -3.410 1.00 0.00 C ATOM 864 C LEU A 53 -5.767 10.182 -4.511 1.00 0.00 C ATOM 865 O LEU A 53 -6.377 9.478 -5.315 1.00 0.00 O ATOM 866 CB LEU A 53 -5.613 9.489 -2.049 1.00 0.00 C ATOM 867 CG LEU A 53 -4.968 8.579 -1.002 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.986 8.160 0.061 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.299 7.372 -1.662 1.00 0.00 C ATOM 0 H LEU A 53 -3.474 10.676 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.746 8.506 -3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.658 10.500 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.641 9.161 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.185 9.143 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.502 7.514 0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.376 9.047 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.806 7.621 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.848 6.742 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.045 6.798 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.526 7.715 -2.350 1.00 0.00 H new ATOM 881 N PRO A 54 -5.780 11.542 -4.512 1.00 0.00 N ATOM 882 CA PRO A 54 -6.546 12.282 -5.501 1.00 0.00 C ATOM 883 C PRO A 54 -5.852 12.253 -6.864 1.00 0.00 C ATOM 884 O PRO A 54 -5.566 13.301 -7.441 1.00 0.00 O ATOM 885 CB PRO A 54 -6.675 13.684 -4.929 1.00 0.00 C ATOM 886 CG PRO A 54 -5.589 13.805 -3.872 1.00 0.00 C ATOM 887 CD PRO A 54 -5.070 12.407 -3.575 1.00 0.00 C ATOM 0 HA PRO A 54 -7.530 11.849 -5.683 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.548 14.436 -5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.662 13.839 -4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.781 14.445 -4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.986 14.265 -2.967 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.991 12.346 -3.719 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.270 12.121 -2.542 1.00 0.00 H new ATOM 895 N GLY A 55 -5.603 11.042 -7.340 1.00 0.00 N ATOM 896 CA GLY A 55 -4.948 10.863 -8.625 1.00 0.00 C ATOM 897 C GLY A 55 -4.220 9.519 -8.688 1.00 0.00 C ATOM 898 O GLY A 55 -3.087 9.444 -9.160 1.00 0.00 O ATOM 0 H GLY A 55 -5.843 10.175 -6.859 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.687 10.918 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.238 11.673 -8.791 1.00 0.00 H new ATOM 902 N CYS A 56 -4.902 8.491 -8.204 1.00 0.00 N ATOM 903 CA CYS A 56 -4.334 7.153 -8.199 1.00 0.00 C ATOM 904 C CYS A 56 -5.387 6.182 -8.738 1.00 0.00 C ATOM 905 O CYS A 56 -6.544 6.556 -8.923 1.00 0.00 O ATOM 906 CB CYS A 56 -3.847 6.751 -6.805 1.00 0.00 C ATOM 907 SG CYS A 56 -2.021 6.837 -6.731 1.00 0.00 S ATOM 0 H CYS A 56 -5.842 8.557 -7.813 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.454 7.126 -8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.281 7.412 -6.055 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.181 5.740 -6.571 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.663 7.689 -5.817 1.00 0.00 H new ATOM 913 N THR A 57 -4.947 4.955 -8.975 1.00 0.00 N ATOM 914 CA THR A 57 -5.837 3.928 -9.489 1.00 0.00 C ATOM 915 C THR A 57 -5.650 2.623 -8.714 1.00 0.00 C ATOM 916 O THR A 57 -4.642 1.937 -8.879 1.00 0.00 O ATOM 917 CB THR A 57 -5.578 3.786 -10.990 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.355 4.826 -11.577 1.00 0.00 O ATOM 919 CG2 THR A 57 -6.176 2.502 -11.569 1.00 0.00 C ATOM 0 H THR A 57 -3.986 4.649 -8.821 1.00 0.00 H new ATOM 0 HA THR A 57 -6.882 4.205 -9.350 1.00 0.00 H new ATOM 0 HB THR A 57 -4.504 3.802 -11.175 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.244 4.808 -12.551 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.963 2.451 -12.637 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.736 1.639 -11.070 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.255 2.501 -11.413 1.00 0.00 H new ATOM 927 N ILE A 58 -6.637 2.318 -7.883 1.00 0.00 N ATOM 928 CA ILE A 58 -6.593 1.107 -7.082 1.00 0.00 C ATOM 929 C ILE A 58 -7.073 -0.075 -7.925 1.00 0.00 C ATOM 930 O ILE A 58 -8.273 -0.243 -8.140 1.00 0.00 O ATOM 931 CB ILE A 58 -7.380 1.296 -5.783 1.00 0.00 C ATOM 932 CG1 ILE A 58 -6.715 2.341 -4.886 1.00 0.00 C ATOM 933 CG2 ILE A 58 -7.575 -0.039 -5.061 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.558 3.616 -4.810 1.00 0.00 C ATOM 0 H ILE A 58 -7.471 2.889 -7.748 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.569 0.887 -6.779 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.371 1.673 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.578 1.932 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.724 2.579 -5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.137 0.123 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.125 -0.725 -5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.602 -0.468 -4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.062 4.342 -4.166 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.673 4.036 -5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.540 3.379 -4.401 1.00 0.00 H new ATOM 946 N LYS A 59 -6.112 -0.865 -8.380 1.00 0.00 N ATOM 947 CA LYS A 59 -6.421 -2.027 -9.196 1.00 0.00 C ATOM 948 C LYS A 59 -6.378 -3.284 -8.323 1.00 0.00 C ATOM 949 O LYS A 59 -5.373 -3.553 -7.667 1.00 0.00 O ATOM 950 CB LYS A 59 -5.495 -2.091 -10.412 1.00 0.00 C ATOM 951 CG LYS A 59 -5.798 -0.956 -11.392 1.00 0.00 C ATOM 952 CD LYS A 59 -5.827 -1.469 -12.833 1.00 0.00 C ATOM 953 CE LYS A 59 -4.532 -2.206 -13.178 1.00 0.00 C ATOM 954 NZ LYS A 59 -4.727 -3.070 -14.364 1.00 0.00 N ATOM 0 H LYS A 59 -5.118 -0.723 -8.199 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.431 -1.952 -9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.457 -2.028 -10.087 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.614 -3.051 -10.914 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.758 -0.503 -11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.043 -0.176 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.677 -2.138 -12.968 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.967 -0.633 -13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.737 -1.486 -13.372 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.213 -2.811 -12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.838 -3.563 -14.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.471 -3.769 -14.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.009 -2.486 -15.177 1.00 0.00 H new ATOM 968 N GLU A 60 -7.480 -4.019 -8.344 1.00 0.00 N ATOM 969 CA GLU A 60 -7.580 -5.240 -7.563 1.00 0.00 C ATOM 970 C GLU A 60 -6.905 -6.398 -8.300 1.00 0.00 C ATOM 971 O GLU A 60 -7.483 -6.972 -9.222 1.00 0.00 O ATOM 972 CB GLU A 60 -9.040 -5.569 -7.244 1.00 0.00 C ATOM 973 CG GLU A 60 -9.600 -4.612 -6.190 1.00 0.00 C ATOM 974 CD GLU A 60 -10.997 -4.125 -6.577 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.914 -4.975 -6.579 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.117 -2.915 -6.864 1.00 0.00 O ATOM 0 H GLU A 60 -8.311 -3.792 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.062 -5.086 -6.616 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.638 -5.505 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.115 -6.595 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.641 -5.114 -5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.932 -3.758 -6.078 1.00 0.00 H new ATOM 983 N ILE A 61 -5.692 -6.707 -7.866 1.00 0.00 N ATOM 984 CA ILE A 61 -4.933 -7.787 -8.474 1.00 0.00 C ATOM 985 C ILE A 61 -5.521 -9.129 -8.034 1.00 0.00 C ATOM 986 O ILE A 61 -5.145 -9.664 -6.992 1.00 0.00 O ATOM 987 CB ILE A 61 -3.443 -7.637 -8.160 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.981 -6.193 -8.370 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.608 -8.629 -8.972 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.237 -5.740 -9.809 1.00 0.00 C ATOM 0 H ILE A 61 -5.216 -6.229 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.013 -7.744 -9.560 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.291 -7.875 -7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.507 -5.535 -7.679 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.918 -6.111 -8.142 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.553 -8.501 -8.729 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.915 -9.647 -8.730 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.760 -8.447 -10.036 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.900 -4.711 -9.932 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.690 -6.385 -10.496 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.304 -5.801 -10.025 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.596 -11.499 -2.069 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.773 -10.093 -1.749 1.00 0.00 C ATOM 1125 C PHE A 71 -5.483 -9.308 -1.999 1.00 0.00 C ATOM 1126 O PHE A 71 -4.653 -9.168 -1.102 1.00 0.00 O ATOM 1127 CB PHE A 71 -7.124 -10.013 -0.262 1.00 0.00 C ATOM 1128 CG PHE A 71 -8.097 -11.097 0.207 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -9.254 -11.312 -0.475 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.806 -11.844 1.305 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -10.157 -12.318 -0.041 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.709 -12.849 1.740 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.866 -13.065 1.058 1.00 0.00 C ATOM 0 HA PHE A 71 -7.556 -9.664 -2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.206 -10.086 0.322 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.558 -9.035 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.486 -10.718 -1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.887 -11.673 1.846 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -11.075 -12.490 -0.583 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.478 -13.442 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.553 -13.829 1.389 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.356 -8.815 -3.222 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.182 -8.048 -3.602 1.00 0.00 C ATOM 1145 C VAL A 72 -4.610 -6.870 -4.480 1.00 0.00 C ATOM 1146 O VAL A 72 -5.399 -7.039 -5.409 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.158 -8.959 -4.280 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.796 -8.271 -4.386 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -3.041 -10.296 -3.545 1.00 0.00 C ATOM 0 H VAL A 72 -6.047 -8.932 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.694 -7.635 -2.719 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.510 -9.162 -5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.087 -8.941 -4.872 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.894 -7.358 -4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.435 -8.023 -3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.306 -10.925 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.725 -10.120 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.009 -10.798 -3.546 1.00 0.00 H new ATOM 1159 N PHE A 73 -4.070 -5.705 -4.156 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.386 -4.500 -4.905 1.00 0.00 C ATOM 1161 C PHE A 73 -3.164 -3.585 -5.011 1.00 0.00 C ATOM 1162 O PHE A 73 -2.478 -3.342 -4.020 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.489 -3.771 -4.134 1.00 0.00 C ATOM 1164 CG PHE A 73 -5.003 -3.077 -2.860 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.763 -3.806 -1.738 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.812 -1.730 -2.850 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.313 -3.162 -0.555 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.361 -1.086 -1.668 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.121 -1.815 -0.545 1.00 0.00 C ATOM 0 H PHE A 73 -3.416 -5.569 -3.385 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.700 -4.761 -5.916 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.946 -3.028 -4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.268 -4.486 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.915 -4.875 -1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -5.003 -1.151 -3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.123 -3.741 0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.208 -0.017 -1.660 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.778 -1.325 0.354 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.931 -3.102 -6.223 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.804 -2.218 -6.472 1.00 0.00 C ATOM 1181 C GLU A 74 -2.296 -0.799 -6.760 1.00 0.00 C ATOM 1182 O GLU A 74 -3.286 -0.612 -7.466 1.00 0.00 O ATOM 1183 CB GLU A 74 -0.939 -2.743 -7.620 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.358 -2.117 -8.952 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.828 -2.934 -10.132 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -0.122 -3.929 -9.862 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -1.142 -2.545 -11.278 1.00 0.00 O ATOM 0 H GLU A 74 -3.503 -3.306 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.183 -2.191 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.109 -2.519 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.027 -3.828 -7.680 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.445 -2.059 -9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.981 -1.096 -9.013 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.582 0.166 -6.200 1.00 0.00 N ATOM 1195 CA ILE A 75 -1.933 1.563 -6.388 1.00 0.00 C ATOM 1196 C ILE A 75 -1.111 2.141 -7.542 1.00 0.00 C ATOM 1197 O ILE A 75 0.117 2.091 -7.519 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.779 2.336 -5.076 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.552 1.655 -3.945 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.190 3.800 -5.251 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -2.087 2.165 -2.579 1.00 0.00 C ATOM 0 H ILE A 75 -0.761 0.008 -5.615 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.983 1.657 -6.666 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.726 2.328 -4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.619 1.844 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.411 0.576 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.071 4.327 -4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.560 4.267 -6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.232 3.850 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.652 1.665 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.025 1.953 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.252 3.241 -2.517 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.823 2.675 -8.524 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.174 3.261 -9.684 1.00 0.00 C ATOM 1215 C ILE A 76 -1.248 4.786 -9.588 1.00 0.00 C ATOM 1216 O ILE A 76 -2.335 5.354 -9.491 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.773 2.697 -10.974 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -1.445 1.210 -11.126 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -1.323 3.510 -12.190 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.714 0.391 -11.369 1.00 0.00 C ATOM 0 H ILE A 76 -2.842 2.714 -8.540 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.118 2.993 -9.706 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.858 2.784 -10.913 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.753 1.070 -11.956 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.943 0.851 -10.228 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.763 3.088 -13.093 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.649 4.544 -12.077 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.236 3.478 -12.267 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.453 -0.662 -11.474 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.394 0.514 -10.526 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.201 0.736 -12.281 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.047 5.423 -9.620 1.00 0.00 N ATOM 1233 CA PRO A 77 0.035 6.871 -9.537 1.00 0.00 C ATOM 1234 C PRO A 77 -0.382 7.520 -10.859 1.00 0.00 C ATOM 1235 O PRO A 77 -0.501 6.841 -11.878 1.00 0.00 O ATOM 1236 CB PRO A 77 1.479 7.163 -9.162 1.00 0.00 C ATOM 1237 CG PRO A 77 2.261 5.904 -9.503 1.00 0.00 C ATOM 1238 CD PRO A 77 1.261 4.783 -9.734 1.00 0.00 C ATOM 0 HA PRO A 77 -0.647 7.289 -8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.860 8.021 -9.715 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.567 7.402 -8.102 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.870 6.062 -10.393 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.943 5.647 -8.692 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.395 4.329 -10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.379 3.989 -8.997 1.00 0.00 H new ATOM 1411 N SER A 89 3.766 0.361 -10.228 1.00 0.00 N ATOM 1412 CA SER A 89 2.736 0.809 -9.306 1.00 0.00 C ATOM 1413 C SER A 89 3.048 0.314 -7.893 1.00 0.00 C ATOM 1414 O SER A 89 4.035 -0.389 -7.681 1.00 0.00 O ATOM 1415 CB SER A 89 1.354 0.323 -9.746 1.00 0.00 C ATOM 1416 OG SER A 89 1.359 -1.058 -10.095 1.00 0.00 O ATOM 0 HA SER A 89 2.725 1.899 -9.308 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.638 0.491 -8.942 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.018 0.911 -10.600 1.00 0.00 H new ATOM 0 HG SER A 89 2.215 -1.287 -10.514 1.00 0.00 H new ATOM 1422 N TYR A 90 2.187 0.700 -6.962 1.00 0.00 N ATOM 1423 CA TYR A 90 2.359 0.304 -5.574 1.00 0.00 C ATOM 1424 C TYR A 90 1.582 -0.978 -5.270 1.00 0.00 C ATOM 1425 O TYR A 90 0.409 -0.926 -4.904 1.00 0.00 O ATOM 1426 CB TYR A 90 1.782 1.446 -4.736 1.00 0.00 C ATOM 1427 CG TYR A 90 2.837 2.260 -3.983 1.00 0.00 C ATOM 1428 CD1 TYR A 90 4.042 2.555 -4.588 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.584 2.699 -2.699 1.00 0.00 C ATOM 1430 CE1 TYR A 90 5.035 3.320 -3.880 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.577 3.464 -1.991 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.753 3.737 -2.616 1.00 0.00 C ATOM 1433 OH TYR A 90 5.691 4.460 -1.947 1.00 0.00 O ATOM 0 H TYR A 90 1.369 1.282 -7.141 1.00 0.00 H new ATOM 0 HA TYR A 90 3.410 0.114 -5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.220 2.114 -5.389 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.074 1.034 -4.017 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.240 2.212 -5.593 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.641 2.469 -2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 90 5.982 3.557 -4.342 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.392 3.813 -0.986 1.00 0.00 H new ATOM 0 HH TYR A 90 5.804 4.094 -1.045 1.00 0.00 H new ATOM 1443 N VAL A 91 2.267 -2.100 -5.434 1.00 0.00 N ATOM 1444 CA VAL A 91 1.656 -3.394 -5.181 1.00 0.00 C ATOM 1445 C VAL A 91 1.512 -3.600 -3.672 1.00 0.00 C ATOM 1446 O VAL A 91 2.487 -3.905 -2.988 1.00 0.00 O ATOM 1447 CB VAL A 91 2.468 -4.498 -5.860 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.861 -5.875 -5.583 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.589 -4.244 -7.364 1.00 0.00 C ATOM 0 H VAL A 91 3.239 -2.140 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 91 0.655 -3.434 -5.611 1.00 0.00 H new ATOM 0 HB VAL A 91 3.472 -4.484 -5.436 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.458 -6.642 -6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.852 -6.059 -4.509 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.841 -5.907 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.171 -5.044 -7.822 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.595 -4.218 -7.810 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.088 -3.290 -7.533 1.00 0.00 H new ATOM 1459 N LEU A 92 0.288 -3.424 -3.197 1.00 0.00 N ATOM 1460 CA LEU A 92 0.004 -3.586 -1.781 1.00 0.00 C ATOM 1461 C LEU A 92 -0.881 -4.819 -1.581 1.00 0.00 C ATOM 1462 O LEU A 92 -1.783 -5.076 -2.377 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.592 -2.301 -1.203 1.00 0.00 C ATOM 1464 CG LEU A 92 0.142 -1.005 -1.552 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.405 0.170 -0.740 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.654 -1.168 -1.378 1.00 0.00 C ATOM 0 H LEU A 92 -0.519 -3.171 -3.768 1.00 0.00 H new ATOM 0 HA LEU A 92 0.925 -3.760 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.623 -2.215 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.625 -2.396 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.039 -0.782 -2.603 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.134 1.079 -1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.465 0.300 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.274 -0.030 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.152 -0.233 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.875 -1.427 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.012 -1.961 -2.035 1.00 0.00 H new ATOM 1478 N MET A 93 -0.591 -5.549 -0.514 1.00 0.00 N ATOM 1479 CA MET A 93 -1.349 -6.748 -0.199 1.00 0.00 C ATOM 1480 C MET A 93 -1.732 -6.781 1.282 1.00 0.00 C ATOM 1481 O MET A 93 -0.925 -6.435 2.143 1.00 0.00 O ATOM 1482 CB MET A 93 -0.513 -7.984 -0.539 1.00 0.00 C ATOM 1483 CG MET A 93 -1.247 -9.267 -0.144 1.00 0.00 C ATOM 1484 SD MET A 93 -0.568 -10.657 -1.035 1.00 0.00 S ATOM 1485 CE MET A 93 1.117 -10.608 -0.448 1.00 0.00 C ATOM 0 H MET A 93 0.159 -5.333 0.143 1.00 0.00 H new ATOM 0 HA MET A 93 -2.264 -6.743 -0.791 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.297 -7.999 -1.607 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.444 -7.934 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.155 -9.433 0.929 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.311 -9.169 -0.362 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.727 -11.295 -1.035 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.509 -9.596 -0.551 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.146 -10.903 0.601 1.00 0.00 H new ATOM 1495 N ALA A 94 -2.963 -7.202 1.532 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.463 -7.285 2.894 1.00 0.00 C ATOM 1497 C ALA A 94 -3.518 -8.753 3.324 1.00 0.00 C ATOM 1498 O ALA A 94 -3.277 -9.649 2.516 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.828 -6.600 2.980 1.00 0.00 C ATOM 0 H ALA A 94 -3.629 -7.489 0.815 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.795 -6.765 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.203 -6.662 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.728 -5.553 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.527 -7.096 2.306 1.00 0.00 H new ATOM 1505 N SER A 95 -3.837 -8.953 4.594 1.00 0.00 N ATOM 1506 CA SER A 95 -3.927 -10.296 5.140 1.00 0.00 C ATOM 1507 C SER A 95 -5.346 -10.841 4.958 1.00 0.00 C ATOM 1508 O SER A 95 -5.532 -11.927 4.411 1.00 0.00 O ATOM 1509 CB SER A 95 -3.537 -10.317 6.619 1.00 0.00 C ATOM 1510 OG SER A 95 -2.389 -11.126 6.857 1.00 0.00 O ATOM 0 H SER A 95 -4.036 -8.207 5.261 1.00 0.00 H new ATOM 0 HA SER A 95 -3.227 -10.933 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.340 -9.299 6.956 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.373 -10.692 7.209 1.00 0.00 H new ATOM 0 HG SER A 95 -2.171 -11.112 7.812 1.00 0.00 H new ATOM 1516 N SER A 96 -6.309 -10.062 5.427 1.00 0.00 N ATOM 1517 CA SER A 96 -7.705 -10.453 5.323 1.00 0.00 C ATOM 1518 C SER A 96 -8.442 -9.510 4.370 1.00 0.00 C ATOM 1519 O SER A 96 -8.022 -8.372 4.168 1.00 0.00 O ATOM 1520 CB SER A 96 -8.380 -10.455 6.696 1.00 0.00 C ATOM 1521 OG SER A 96 -8.649 -9.135 7.161 1.00 0.00 O ATOM 0 H SER A 96 -6.151 -9.162 5.880 1.00 0.00 H new ATOM 0 HA SER A 96 -7.748 -11.467 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.312 -11.017 6.641 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.740 -10.969 7.414 1.00 0.00 H new ATOM 0 HG SER A 96 -9.081 -9.179 8.039 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.530 -10.019 3.810 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.331 -9.236 2.884 1.00 0.00 C ATOM 1529 C GLN A 97 -10.907 -8.006 3.587 1.00 0.00 C ATOM 1530 O GLN A 97 -10.889 -6.906 3.037 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.443 -10.087 2.267 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.289 -9.261 1.295 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.237 -10.158 0.496 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.625 -11.232 0.924 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.587 -9.658 -0.686 1.00 0.00 N ATOM 0 H GLN A 97 -9.875 -10.964 3.980 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.686 -8.896 2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -11.007 -10.938 1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -12.078 -10.490 3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.864 -8.519 1.848 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.637 -8.715 0.613 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.225 -8.752 -0.984 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.217 -10.181 -1.295 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.405 -8.234 4.794 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.986 -7.158 5.579 1.00 0.00 C ATOM 1546 C ALA A 98 -10.979 -6.011 5.688 1.00 0.00 C ATOM 1547 O ALA A 98 -11.366 -4.847 5.780 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.409 -7.694 6.948 1.00 0.00 C ATOM 0 H ALA A 98 -11.418 -9.148 5.247 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.880 -6.768 5.092 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.845 -6.886 7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.146 -8.486 6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.538 -8.092 7.468 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.706 -6.380 5.674 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.641 -5.397 5.770 1.00 0.00 C ATOM 1556 C GLU A 99 -8.471 -4.666 4.437 1.00 0.00 C ATOM 1557 O GLU A 99 -8.488 -3.437 4.392 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.329 -6.051 6.208 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.293 -4.995 6.599 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.875 -5.152 8.062 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -6.727 -4.863 8.930 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -4.713 -5.557 8.280 1.00 0.00 O ATOM 0 H GLU A 99 -9.389 -7.346 5.598 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.916 -4.666 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.514 -6.715 7.053 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.938 -6.667 5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.418 -5.084 5.956 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.706 -3.999 6.440 1.00 0.00 H new ATOM 1569 N MET A 100 -8.310 -5.453 3.383 1.00 0.00 N ATOM 1570 CA MET A 100 -8.137 -4.896 2.053 1.00 0.00 C ATOM 1571 C MET A 100 -9.323 -4.008 1.672 1.00 0.00 C ATOM 1572 O MET A 100 -9.153 -2.999 0.988 1.00 0.00 O ATOM 1573 CB MET A 100 -8.004 -6.033 1.037 1.00 0.00 C ATOM 1574 CG MET A 100 -7.806 -5.484 -0.377 1.00 0.00 C ATOM 1575 SD MET A 100 -8.303 -6.705 -1.581 1.00 0.00 S ATOM 1576 CE MET A 100 -10.053 -6.786 -1.237 1.00 0.00 C ATOM 0 H MET A 100 -8.296 -6.472 3.424 1.00 0.00 H new ATOM 0 HA MET A 100 -7.234 -4.286 2.050 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.160 -6.669 1.306 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.896 -6.658 1.067 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.391 -4.573 -0.508 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.760 -5.216 -0.529 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.612 -6.667 -2.165 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.292 -7.751 -0.791 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.325 -5.989 -0.545 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.497 -4.414 2.131 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.711 -3.667 1.847 1.00 0.00 C ATOM 1588 C GLU A 101 -11.658 -2.294 2.520 1.00 0.00 C ATOM 1589 O GLU A 101 -11.982 -1.282 1.899 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.951 -4.447 2.288 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.703 -5.010 1.081 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.060 -3.899 0.090 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.916 -3.066 0.457 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -13.468 -3.909 -1.011 1.00 0.00 O ATOM 0 H GLU A 101 -10.634 -5.251 2.698 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.780 -3.519 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.656 -5.262 2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.611 -3.795 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.090 -5.762 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.612 -5.510 1.415 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.248 -2.303 3.779 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.149 -1.070 4.543 1.00 0.00 C ATOM 1603 C GLU A 102 -10.183 -0.099 3.861 1.00 0.00 C ATOM 1604 O GLU A 102 -10.569 1.008 3.490 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.719 -1.351 5.984 1.00 0.00 C ATOM 1606 CG GLU A 102 -11.106 -0.195 6.907 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.621 -0.142 7.114 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.103 -0.905 7.978 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -13.263 0.661 6.403 1.00 0.00 O ATOM 0 H GLU A 102 -10.980 -3.144 4.290 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.135 -0.606 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.186 -2.272 6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.641 -1.506 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -10.608 -0.311 7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.760 0.747 6.481 1.00 0.00 H new ATOM 1616 N TRP A 103 -8.946 -0.550 3.717 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.921 0.265 3.087 1.00 0.00 C ATOM 1618 C TRP A 103 -8.496 0.822 1.783 1.00 0.00 C ATOM 1619 O TRP A 103 -8.680 2.031 1.649 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.634 -0.536 2.879 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.678 -0.500 4.073 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.354 -1.502 4.901 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -4.931 0.642 4.541 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.456 -1.092 5.865 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.190 0.254 5.639 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -4.882 1.960 4.053 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.348 1.123 6.342 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.035 2.817 4.766 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.283 2.441 5.874 1.00 0.00 C ATOM 0 H TRP A 103 -8.630 -1.469 4.026 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.643 1.100 3.730 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -6.894 -1.573 2.666 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.116 -0.151 2.001 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.747 -2.505 4.824 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.060 -1.670 6.607 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.453 2.285 3.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.779 0.795 7.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.960 3.841 4.432 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.652 3.163 6.371 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.764 -0.085 0.856 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.314 0.300 -0.432 1.00 0.00 C ATOM 1642 C VAL A 104 -10.430 1.325 -0.219 1.00 0.00 C ATOM 1643 O VAL A 104 -10.384 2.423 -0.771 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.780 -0.941 -1.195 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.610 -0.552 -2.420 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.591 -1.818 -1.594 1.00 0.00 C ATOM 0 H VAL A 104 -8.610 -1.087 0.971 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.549 0.774 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.417 -1.523 -0.530 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.929 -1.453 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.487 0.012 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.007 0.063 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.950 -2.693 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.917 -1.248 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.058 -2.138 -0.699 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.407 0.929 0.584 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.534 1.799 0.877 1.00 0.00 C ATOM 1658 C LYS A 105 -12.028 3.228 1.085 1.00 0.00 C ATOM 1659 O LYS A 105 -12.411 4.139 0.353 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.339 1.254 2.058 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.532 2.159 2.373 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.212 3.104 3.534 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.622 2.486 4.872 1.00 0.00 C ATOM 1664 NZ LYS A 105 -15.887 3.085 5.354 1.00 0.00 N ATOM 0 H LYS A 105 -11.442 0.018 1.041 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.225 1.824 0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.691 0.248 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.697 1.175 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.796 2.740 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.400 1.549 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.145 3.326 3.544 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.733 4.051 3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.743 1.409 4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.834 2.644 5.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.151 2.654 6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.760 4.109 5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.640 2.913 4.658 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.174 3.380 2.087 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.612 4.683 2.401 1.00 0.00 C ATOM 1680 C PHE A 106 -9.809 5.232 1.220 1.00 0.00 C ATOM 1681 O PHE A 106 -10.050 6.350 0.767 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.674 4.490 3.594 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.385 4.474 4.948 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.033 5.585 5.389 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.370 3.348 5.711 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.694 5.570 6.646 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -11.030 3.333 6.969 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.678 4.445 7.410 1.00 0.00 C ATOM 0 H PHE A 106 -10.858 2.622 2.692 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.412 5.390 2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.132 3.553 3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.933 5.289 3.594 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.045 6.479 4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.856 2.465 5.360 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.210 6.452 6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -11.017 2.439 7.575 1.00 0.00 H new ATOM 0 HZ PHE A 106 -12.180 4.434 8.366 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.872 4.420 0.754 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.032 4.811 -0.366 1.00 0.00 C ATOM 1700 C LEU A 107 -8.914 5.331 -1.502 1.00 0.00 C ATOM 1701 O LEU A 107 -8.902 6.523 -1.807 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.117 3.656 -0.778 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.071 3.229 0.254 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.712 1.750 0.091 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.835 4.129 0.187 1.00 0.00 C ATOM 0 H LEU A 107 -8.676 3.493 1.131 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.368 5.626 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.739 2.793 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.600 3.938 -1.695 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.503 3.348 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.967 1.472 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.606 1.141 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.307 1.582 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.107 3.804 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.392 4.065 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.124 5.160 0.389 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.660 4.412 -2.098 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.547 4.764 -3.194 1.00 0.00 C ATOM 1719 C ARG A 108 -11.402 5.975 -2.817 1.00 0.00 C ATOM 1720 O ARG A 108 -11.524 6.920 -3.596 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.463 3.594 -3.558 1.00 0.00 C ATOM 1722 CG ARG A 108 -10.992 2.907 -4.842 1.00 0.00 C ATOM 1723 CD ARG A 108 -12.139 2.144 -5.507 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.686 1.571 -6.795 1.00 0.00 N ATOM 1725 CZ ARG A 108 -12.326 0.592 -7.448 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.450 0.070 -6.939 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -11.842 0.135 -8.611 1.00 0.00 N ATOM 0 H ARG A 108 -9.668 3.425 -1.843 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.928 5.008 -4.057 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.480 2.873 -2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.484 3.953 -3.687 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -10.597 3.651 -5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.177 2.220 -4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -12.488 1.349 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.983 2.813 -5.674 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.833 1.945 -7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.819 0.418 -6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.937 -0.675 -7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.986 0.533 -8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.329 -0.610 -9.108 1.00 0.00 H new ATOM 1741 N ARG A 109 -11.973 5.908 -1.624 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.813 6.987 -1.134 1.00 0.00 C ATOM 1743 C ARG A 109 -12.105 8.332 -1.308 1.00 0.00 C ATOM 1744 O ARG A 109 -12.517 9.153 -2.127 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.160 6.789 0.343 1.00 0.00 C ATOM 1746 CG ARG A 109 -13.947 7.983 0.887 1.00 0.00 C ATOM 1747 CD ARG A 109 -14.786 7.580 2.101 1.00 0.00 C ATOM 1748 NE ARG A 109 -14.722 8.638 3.134 1.00 0.00 N ATOM 1749 CZ ARG A 109 -13.614 8.953 3.819 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -12.471 8.294 3.585 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -13.649 9.928 4.738 1.00 0.00 N ATOM 0 H ARG A 109 -11.870 5.122 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.735 6.979 -1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.746 5.878 0.463 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.245 6.659 0.921 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.258 8.781 1.165 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.597 8.380 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -15.821 7.416 1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.420 6.638 2.510 1.00 0.00 H new ATOM 0 HE ARG A 109 -15.574 9.160 3.337 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.444 7.552 2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.628 8.534 4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.519 10.430 4.916 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.806 10.168 5.259 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.052 8.516 -0.525 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.283 9.748 -0.583 1.00 0.00 C ATOM 1767 C VAL A 110 -9.962 10.076 -2.043 1.00 0.00 C ATOM 1768 O VAL A 110 -10.186 11.198 -2.494 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.033 9.625 0.291 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.080 10.797 0.051 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.407 9.516 1.770 1.00 0.00 C ATOM 0 H VAL A 110 -10.713 7.833 0.153 1.00 0.00 H new ATOM 0 HA VAL A 110 -10.863 10.580 -0.183 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.515 8.709 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.200 10.686 0.684 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.775 10.810 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.585 11.732 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.501 9.430 2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.958 10.406 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -10.029 8.634 1.924 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.442 9.076 -2.740 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.088 9.245 -4.139 1.00 0.00 C ATOM 1783 C ALA A 111 -10.268 9.868 -4.888 1.00 0.00 C ATOM 1784 O ALA A 111 -10.075 10.666 -5.804 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.673 7.895 -4.727 1.00 0.00 C ATOM 0 H ALA A 111 -9.258 8.147 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.239 9.921 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.407 8.021 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.814 7.508 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.502 7.192 -4.645 1.00 0.00 H new