USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 736 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: B 32 SER OG : rot 31:sc= 1.3 USER MOD Set 1.2: B 51 TYR OH : rot 151:sc= -1.69 USER MOD Set 2.1: A 32 SER OG : rot 30:sc= 1.27 USER MOD Set 2.2: A 51 TYR OH : rot 150:sc= -1.7 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -2.97! C(o=-3!,f=-2.2!) USER MOD Single : A 24 ASN : amide:sc= -1.02 K(o=-1,f=-2.1) USER MOD Single : A 26 GLN : amide:sc= -0.144 K(o=-0.14,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -119:sc=-0.00831 (180deg=-0.229) USER MOD Single : B 19 TYR OH : rot 180:sc=-0.00208 USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= -2.94 K(o=-2.9,f=-2.1) USER MOD Single : B 24 ASN : amide:sc= -1.03 K(o=-1,f=-2.1) USER MOD Single : B 26 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.98) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ -128:sc= -0.0226 (180deg=-0.222) USER MOD ----------------------------------------------------------------- ATOM 72 N CYS A 16 -16.197 11.671 12.214 1.00 0.00 N ATOM 73 CA CYS A 16 -14.997 11.183 11.474 1.00 0.00 C ATOM 74 C CYS A 16 -13.851 12.198 11.565 1.00 0.00 C ATOM 75 O CYS A 16 -12.805 12.018 10.974 1.00 0.00 O ATOM 76 CB CYS A 16 -15.461 11.031 10.024 1.00 0.00 C ATOM 77 SG CYS A 16 -15.548 9.276 9.594 1.00 0.00 S ATOM 0 HA CYS A 16 -14.618 10.248 11.886 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.438 11.496 9.894 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -14.771 11.546 9.355 1.00 0.00 H new ATOM 82 N GLU A 17 -14.032 13.266 12.299 1.00 0.00 N ATOM 83 CA GLU A 17 -12.945 14.277 12.419 1.00 0.00 C ATOM 84 C GLU A 17 -11.902 13.811 13.438 1.00 0.00 C ATOM 85 O GLU A 17 -10.732 14.124 13.333 1.00 0.00 O ATOM 86 CB GLU A 17 -13.643 15.547 12.907 1.00 0.00 C ATOM 87 CG GLU A 17 -12.628 16.689 12.998 1.00 0.00 C ATOM 88 CD GLU A 17 -13.053 17.660 14.101 1.00 0.00 C ATOM 89 OE1 GLU A 17 -14.240 17.731 14.376 1.00 0.00 O ATOM 90 OE2 GLU A 17 -12.186 18.319 14.650 1.00 0.00 O ATOM 0 H GLU A 17 -14.884 13.479 12.818 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.419 14.436 11.478 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.448 15.817 12.224 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -14.097 15.372 13.882 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.635 16.292 13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.565 17.211 12.043 1.00 0.00 H new ATOM 97 N LEU A 18 -12.316 13.065 14.427 1.00 0.00 N ATOM 98 CA LEU A 18 -11.351 12.578 15.453 1.00 0.00 C ATOM 99 C LEU A 18 -10.762 11.224 15.044 1.00 0.00 C ATOM 100 O LEU A 18 -9.671 10.866 15.438 1.00 0.00 O ATOM 101 CB LEU A 18 -12.176 12.435 16.733 1.00 0.00 C ATOM 102 CG LEU A 18 -11.316 12.812 17.941 1.00 0.00 C ATOM 103 CD1 LEU A 18 -11.065 14.321 17.936 1.00 0.00 C ATOM 104 CD2 LEU A 18 -12.047 12.423 19.227 1.00 0.00 C ATOM 0 H LEU A 18 -13.283 12.772 14.568 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.510 13.260 15.577 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.055 13.077 16.685 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.535 11.411 16.834 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.364 12.284 17.889 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.452 14.591 18.796 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.546 14.601 17.019 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.017 14.848 17.989 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.435 12.691 20.088 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.999 12.952 19.279 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.229 11.348 19.231 1.00 0.00 H new ATOM 116 N TYR A 19 -11.480 10.466 14.258 1.00 0.00 N ATOM 117 CA TYR A 19 -10.964 9.133 13.829 1.00 0.00 C ATOM 118 C TYR A 19 -10.173 9.250 12.524 1.00 0.00 C ATOM 119 O TYR A 19 -10.006 8.289 11.800 1.00 0.00 O ATOM 120 CB TYR A 19 -12.212 8.281 13.614 1.00 0.00 C ATOM 121 CG TYR A 19 -11.885 6.830 13.879 1.00 0.00 C ATOM 122 CD1 TYR A 19 -11.397 6.013 12.834 1.00 0.00 C ATOM 123 CD2 TYR A 19 -12.067 6.290 15.171 1.00 0.00 C ATOM 124 CE1 TYR A 19 -11.090 4.656 13.082 1.00 0.00 C ATOM 125 CE2 TYR A 19 -11.761 4.932 15.419 1.00 0.00 C ATOM 126 CZ TYR A 19 -11.273 4.116 14.375 1.00 0.00 C ATOM 127 OH TYR A 19 -10.974 2.791 14.617 1.00 0.00 O ATOM 0 H TYR A 19 -12.401 10.712 13.895 1.00 0.00 H new ATOM 0 HA TYR A 19 -10.288 8.703 14.568 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.010 8.612 14.279 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.576 8.402 12.594 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.259 6.426 11.846 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -12.440 6.914 15.970 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.716 4.032 12.284 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.901 4.519 16.407 1.00 0.00 H new ATOM 0 HH TYR A 19 -11.155 2.581 15.557 1.00 0.00 H new ATOM 137 N VAL A 20 -9.685 10.416 12.216 1.00 0.00 N ATOM 138 CA VAL A 20 -8.906 10.589 10.960 1.00 0.00 C ATOM 139 C VAL A 20 -7.564 9.846 11.076 1.00 0.00 C ATOM 140 O VAL A 20 -7.533 8.659 11.330 1.00 0.00 O ATOM 141 CB VAL A 20 -8.721 12.105 10.822 1.00 0.00 C ATOM 142 CG1 VAL A 20 -10.083 12.772 10.625 1.00 0.00 C ATOM 143 CG2 VAL A 20 -8.059 12.662 12.087 1.00 0.00 C ATOM 0 H VAL A 20 -9.792 11.259 12.780 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.403 10.177 10.082 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.086 12.312 9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.950 13.849 10.527 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.552 12.381 9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.719 12.562 11.485 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.929 13.739 11.985 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -8.690 12.452 12.950 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.086 12.191 12.226 1.00 0.00 H new ATOM 153 N GLN A 21 -6.457 10.520 10.892 1.00 0.00 N ATOM 154 CA GLN A 21 -5.142 9.825 10.996 1.00 0.00 C ATOM 155 C GLN A 21 -4.618 9.888 12.435 1.00 0.00 C ATOM 156 O GLN A 21 -4.174 8.903 12.988 1.00 0.00 O ATOM 157 CB GLN A 21 -4.214 10.592 10.053 1.00 0.00 C ATOM 158 CG GLN A 21 -4.575 10.265 8.604 1.00 0.00 C ATOM 159 CD GLN A 21 -5.055 11.533 7.896 1.00 0.00 C ATOM 160 OE1 GLN A 21 -4.259 12.318 7.422 1.00 0.00 O ATOM 161 NE2 GLN A 21 -6.335 11.771 7.805 1.00 0.00 N ATOM 0 H GLN A 21 -6.408 11.516 10.676 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.212 8.770 10.732 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -4.305 11.664 10.228 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.176 10.324 10.250 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.708 9.854 8.087 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.354 9.503 8.576 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.006 11.113 8.202 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.665 12.615 7.336 1.00 0.00 H new ATOM 170 N LYS A 22 -4.665 11.043 13.040 1.00 0.00 N ATOM 171 CA LYS A 22 -4.168 11.174 14.439 1.00 0.00 C ATOM 172 C LYS A 22 -5.130 10.488 15.412 1.00 0.00 C ATOM 173 O LYS A 22 -5.722 11.119 16.265 1.00 0.00 O ATOM 174 CB LYS A 22 -4.127 12.679 14.703 1.00 0.00 C ATOM 175 CG LYS A 22 -2.907 13.015 15.562 1.00 0.00 C ATOM 176 CD LYS A 22 -2.543 14.489 15.372 1.00 0.00 C ATOM 177 CE LYS A 22 -1.844 14.672 14.024 1.00 0.00 C ATOM 178 NZ LYS A 22 -1.251 16.037 14.081 1.00 0.00 N ATOM 0 H LYS A 22 -5.026 11.902 12.626 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.193 10.706 14.575 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.081 13.223 13.760 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.039 12.995 15.209 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.121 12.814 16.612 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.065 12.382 15.281 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.441 15.105 15.414 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.891 14.821 16.180 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.076 13.914 13.871 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.549 14.582 13.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.753 16.237 13.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.006 16.738 14.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.579 16.091 14.873 1.00 0.00 H new ATOM 192 N HIS A 23 -5.292 9.199 15.293 1.00 0.00 N ATOM 193 CA HIS A 23 -6.220 8.480 16.215 1.00 0.00 C ATOM 194 C HIS A 23 -6.023 6.965 16.103 1.00 0.00 C ATOM 195 O HIS A 23 -6.088 6.249 17.083 1.00 0.00 O ATOM 196 CB HIS A 23 -7.622 8.874 15.750 1.00 0.00 C ATOM 197 CG HIS A 23 -8.544 8.934 16.935 1.00 0.00 C ATOM 198 ND1 HIS A 23 -8.181 9.545 18.126 1.00 0.00 N ATOM 199 CD2 HIS A 23 -9.821 8.464 17.130 1.00 0.00 C ATOM 200 CE1 HIS A 23 -9.218 9.428 18.975 1.00 0.00 C ATOM 201 NE2 HIS A 23 -10.244 8.778 18.418 1.00 0.00 N ATOM 0 H HIS A 23 -4.825 8.613 14.601 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.045 8.742 17.259 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.592 9.842 15.249 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.993 8.151 15.024 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -10.407 7.932 16.395 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.221 9.813 19.984 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.144 8.559 18.845 1.00 0.00 H new ATOM 209 N ASN A 24 -5.788 6.468 14.919 1.00 0.00 N ATOM 210 CA ASN A 24 -5.594 4.997 14.756 1.00 0.00 C ATOM 211 C ASN A 24 -4.540 4.707 13.685 1.00 0.00 C ATOM 212 O ASN A 24 -3.727 3.814 13.828 1.00 0.00 O ATOM 213 CB ASN A 24 -6.961 4.464 14.327 1.00 0.00 C ATOM 214 CG ASN A 24 -7.992 4.768 15.414 1.00 0.00 C ATOM 215 OD1 ASN A 24 -8.714 5.741 15.332 1.00 0.00 O ATOM 216 ND2 ASN A 24 -8.093 3.968 16.441 1.00 0.00 N ATOM 0 H ASN A 24 -5.722 7.014 14.060 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.241 4.526 15.673 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.263 4.924 13.386 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.906 3.389 14.154 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.777 4.161 17.172 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.488 3.150 16.512 1.00 0.00 H new ATOM 223 N ILE A 25 -4.549 5.446 12.612 1.00 0.00 N ATOM 224 CA ILE A 25 -3.549 5.207 11.533 1.00 0.00 C ATOM 225 C ILE A 25 -2.248 5.972 11.812 1.00 0.00 C ATOM 226 O ILE A 25 -1.286 5.859 11.080 1.00 0.00 O ATOM 227 CB ILE A 25 -4.213 5.732 10.261 1.00 0.00 C ATOM 228 CG1 ILE A 25 -5.532 4.988 10.032 1.00 0.00 C ATOM 229 CG2 ILE A 25 -3.285 5.500 9.065 1.00 0.00 C ATOM 230 CD1 ILE A 25 -6.430 5.813 9.108 1.00 0.00 C ATOM 0 H ILE A 25 -5.206 6.206 12.434 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.278 4.154 11.456 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.408 6.799 10.368 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.338 4.010 9.591 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.034 4.814 10.984 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.760 5.875 8.158 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.345 6.027 9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.089 4.433 8.958 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.369 5.283 8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.634 6.780 9.567 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.928 5.964 8.152 1.00 0.00 H new ATOM 242 N GLN A 26 -2.206 6.750 12.863 1.00 0.00 N ATOM 243 CA GLN A 26 -0.963 7.513 13.172 1.00 0.00 C ATOM 244 C GLN A 26 0.196 6.551 13.446 1.00 0.00 C ATOM 245 O GLN A 26 1.275 6.692 12.903 1.00 0.00 O ATOM 246 CB GLN A 26 -1.293 8.320 14.429 1.00 0.00 C ATOM 247 CG GLN A 26 -0.701 9.725 14.306 1.00 0.00 C ATOM 248 CD GLN A 26 0.826 9.638 14.293 1.00 0.00 C ATOM 249 OE1 GLN A 26 1.409 8.890 15.051 1.00 0.00 O ATOM 250 NE2 GLN A 26 1.502 10.377 13.456 1.00 0.00 N ATOM 0 H GLN A 26 -2.976 6.889 13.517 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.658 8.153 12.344 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.373 8.380 14.562 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.891 7.821 15.310 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.056 10.202 13.392 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.033 10.345 15.139 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.012 11.005 12.819 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.521 10.326 13.439 1.00 0.00 H new ATOM 259 N ALA A 27 -0.017 5.576 14.287 1.00 0.00 N ATOM 260 CA ALA A 27 1.071 4.605 14.599 1.00 0.00 C ATOM 261 C ALA A 27 1.476 3.835 13.339 1.00 0.00 C ATOM 262 O ALA A 27 2.604 3.409 13.195 1.00 0.00 O ATOM 263 CB ALA A 27 0.468 3.659 15.637 1.00 0.00 C ATOM 0 H ALA A 27 -0.899 5.409 14.772 1.00 0.00 H new ATOM 0 HA ALA A 27 1.970 5.098 14.968 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.208 2.911 15.921 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.171 4.228 16.518 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.405 3.163 15.213 1.00 0.00 H new ATOM 269 N LEU A 28 0.561 3.644 12.428 1.00 0.00 N ATOM 270 CA LEU A 28 0.891 2.897 11.180 1.00 0.00 C ATOM 271 C LEU A 28 1.848 3.711 10.303 1.00 0.00 C ATOM 272 O LEU A 28 2.859 3.216 9.845 1.00 0.00 O ATOM 273 CB LEU A 28 -0.451 2.702 10.474 1.00 0.00 C ATOM 274 CG LEU A 28 -1.355 1.816 11.331 1.00 0.00 C ATOM 275 CD1 LEU A 28 -2.783 1.861 10.783 1.00 0.00 C ATOM 276 CD2 LEU A 28 -0.837 0.377 11.293 1.00 0.00 C ATOM 0 H LEU A 28 -0.402 3.973 12.494 1.00 0.00 H new ATOM 0 HA LEU A 28 1.388 1.949 11.387 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.927 3.667 10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.297 2.245 9.497 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.351 2.177 12.359 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.427 1.229 11.394 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.151 2.887 10.809 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.790 1.499 9.755 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.480 -0.257 11.903 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.842 0.016 10.265 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.180 0.346 11.684 1.00 0.00 H new ATOM 288 N LEU A 29 1.535 4.955 10.062 1.00 0.00 N ATOM 289 CA LEU A 29 2.426 5.797 9.210 1.00 0.00 C ATOM 290 C LEU A 29 3.690 6.185 9.983 1.00 0.00 C ATOM 291 O LEU A 29 4.736 6.408 9.407 1.00 0.00 O ATOM 292 CB LEU A 29 1.598 7.040 8.883 1.00 0.00 C ATOM 293 CG LEU A 29 0.710 6.762 7.669 1.00 0.00 C ATOM 294 CD1 LEU A 29 1.585 6.424 6.459 1.00 0.00 C ATOM 295 CD2 LEU A 29 -0.214 5.581 7.973 1.00 0.00 C ATOM 0 H LEU A 29 0.702 5.425 10.417 1.00 0.00 H new ATOM 0 HA LEU A 29 2.752 5.273 8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.983 7.315 9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.256 7.884 8.679 1.00 0.00 H new ATOM 0 HG LEU A 29 0.112 7.646 7.449 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.951 6.226 5.595 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.244 7.264 6.240 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.184 5.540 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.847 5.382 7.108 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.385 4.698 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.839 5.820 8.833 1.00 0.00 H new ATOM 307 N LYS A 30 3.597 6.272 11.280 1.00 0.00 N ATOM 308 CA LYS A 30 4.791 6.652 12.094 1.00 0.00 C ATOM 309 C LYS A 30 6.000 5.792 11.709 1.00 0.00 C ATOM 310 O LYS A 30 6.935 6.263 11.090 1.00 0.00 O ATOM 311 CB LYS A 30 4.382 6.382 13.543 1.00 0.00 C ATOM 312 CG LYS A 30 5.556 6.692 14.473 1.00 0.00 C ATOM 313 CD LYS A 30 5.024 7.145 15.833 1.00 0.00 C ATOM 314 CE LYS A 30 5.713 8.449 16.245 1.00 0.00 C ATOM 315 NZ LYS A 30 5.386 8.619 17.688 1.00 0.00 N ATOM 0 H LYS A 30 2.746 6.097 11.815 1.00 0.00 H new ATOM 0 HA LYS A 30 5.082 7.690 11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.522 6.996 13.809 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.079 5.341 13.658 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.183 5.808 14.592 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.182 7.471 14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.945 7.292 15.782 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.206 6.374 16.581 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.790 8.393 16.088 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.349 9.291 15.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.824 9.493 18.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.354 8.677 17.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.751 7.806 18.225 1.00 0.00 H new ATOM 329 N ASP A 31 5.993 4.540 12.071 1.00 0.00 N ATOM 330 CA ASP A 31 7.145 3.657 11.727 1.00 0.00 C ATOM 331 C ASP A 31 7.268 3.504 10.208 1.00 0.00 C ATOM 332 O ASP A 31 8.350 3.341 9.677 1.00 0.00 O ATOM 333 CB ASP A 31 6.819 2.310 12.376 1.00 0.00 C ATOM 334 CG ASP A 31 7.565 2.189 13.705 1.00 0.00 C ATOM 335 OD1 ASP A 31 7.123 2.794 14.667 1.00 0.00 O ATOM 336 OD2 ASP A 31 8.568 1.494 13.738 1.00 0.00 O ATOM 0 H ASP A 31 5.240 4.089 12.590 1.00 0.00 H new ATOM 0 HA ASP A 31 8.093 4.063 12.080 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.745 2.224 12.541 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.105 1.495 11.711 1.00 0.00 H new ATOM 341 N SER A 32 6.170 3.550 9.504 1.00 0.00 N ATOM 342 CA SER A 32 6.226 3.402 8.022 1.00 0.00 C ATOM 343 C SER A 32 7.128 4.479 7.408 1.00 0.00 C ATOM 344 O SER A 32 8.093 4.181 6.731 1.00 0.00 O ATOM 345 CB SER A 32 4.784 3.583 7.553 1.00 0.00 C ATOM 346 OG SER A 32 4.214 2.308 7.288 1.00 0.00 O ATOM 0 H SER A 32 5.236 3.684 9.891 1.00 0.00 H new ATOM 0 HA SER A 32 6.638 2.439 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.204 4.102 8.316 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.756 4.201 6.655 1.00 0.00 H new ATOM 0 HG SER A 32 4.628 1.637 7.871 1.00 0.00 H new ATOM 352 N ILE A 33 6.819 5.726 7.635 1.00 0.00 N ATOM 353 CA ILE A 33 7.656 6.820 7.059 1.00 0.00 C ATOM 354 C ILE A 33 9.122 6.645 7.477 1.00 0.00 C ATOM 355 O ILE A 33 10.027 6.875 6.702 1.00 0.00 O ATOM 356 CB ILE A 33 7.077 8.111 7.642 1.00 0.00 C ATOM 357 CG1 ILE A 33 5.655 8.313 7.116 1.00 0.00 C ATOM 358 CG2 ILE A 33 7.945 9.300 7.222 1.00 0.00 C ATOM 359 CD1 ILE A 33 4.922 9.323 8.001 1.00 0.00 C ATOM 0 H ILE A 33 6.024 6.036 8.194 1.00 0.00 H new ATOM 0 HA ILE A 33 7.639 6.823 5.969 1.00 0.00 H new ATOM 0 HB ILE A 33 7.060 8.040 8.730 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.684 8.669 6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.120 7.363 7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.531 10.218 7.638 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.960 9.159 7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.963 9.371 6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.909 9.467 7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.881 8.948 9.024 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.454 10.274 7.984 1.00 0.00 H new ATOM 371 N VAL A 34 9.358 6.243 8.694 1.00 0.00 N ATOM 372 CA VAL A 34 10.765 6.057 9.156 1.00 0.00 C ATOM 373 C VAL A 34 11.430 4.897 8.408 1.00 0.00 C ATOM 374 O VAL A 34 12.636 4.749 8.425 1.00 0.00 O ATOM 375 CB VAL A 34 10.653 5.741 10.647 1.00 0.00 C ATOM 376 CG1 VAL A 34 12.044 5.440 11.212 1.00 0.00 C ATOM 377 CG2 VAL A 34 10.057 6.946 11.381 1.00 0.00 C ATOM 0 H VAL A 34 8.641 6.035 9.389 1.00 0.00 H new ATOM 0 HA VAL A 34 11.377 6.939 8.969 1.00 0.00 H new ATOM 0 HB VAL A 34 10.008 4.873 10.786 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.964 5.215 12.275 1.00 0.00 H new ATOM 0 HG12 VAL A 34 12.471 4.583 10.691 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.689 6.308 11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.977 6.721 12.445 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.703 7.813 11.241 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.067 7.163 10.980 1.00 0.00 H new ATOM 387 N GLN A 35 10.658 4.070 7.754 1.00 0.00 N ATOM 388 CA GLN A 35 11.257 2.922 7.010 1.00 0.00 C ATOM 389 C GLN A 35 11.022 3.072 5.503 1.00 0.00 C ATOM 390 O GLN A 35 11.673 2.437 4.699 1.00 0.00 O ATOM 391 CB GLN A 35 10.536 1.685 7.547 1.00 0.00 C ATOM 392 CG GLN A 35 11.539 0.773 8.255 1.00 0.00 C ATOM 393 CD GLN A 35 10.813 -0.456 8.805 1.00 0.00 C ATOM 394 OE1 GLN A 35 11.245 -1.573 8.601 1.00 0.00 O ATOM 395 NE2 GLN A 35 9.720 -0.296 9.500 1.00 0.00 N ATOM 0 H GLN A 35 9.642 4.139 7.702 1.00 0.00 H new ATOM 0 HA GLN A 35 12.336 2.861 7.151 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.748 1.983 8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 35 10.055 1.148 6.729 1.00 0.00 H new ATOM 0 HG2 GLN A 35 12.321 0.466 7.560 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.028 1.313 9.066 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.357 0.642 9.671 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.229 -1.109 9.872 1.00 0.00 H new ATOM 404 N LEU A 36 10.095 3.907 5.114 1.00 0.00 N ATOM 405 CA LEU A 36 9.824 4.091 3.658 1.00 0.00 C ATOM 406 C LEU A 36 10.711 5.202 3.083 1.00 0.00 C ATOM 407 O LEU A 36 10.885 5.310 1.885 1.00 0.00 O ATOM 408 CB LEU A 36 8.349 4.487 3.576 1.00 0.00 C ATOM 409 CG LEU A 36 7.506 3.247 3.277 1.00 0.00 C ATOM 410 CD1 LEU A 36 6.331 3.173 4.254 1.00 0.00 C ATOM 411 CD2 LEU A 36 6.969 3.327 1.845 1.00 0.00 C ATOM 0 H LEU A 36 9.516 4.468 5.739 1.00 0.00 H new ATOM 0 HA LEU A 36 10.038 3.189 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.030 4.939 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.205 5.235 2.796 1.00 0.00 H new ATOM 0 HG LEU A 36 8.126 2.357 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.733 2.288 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.709 3.114 5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.712 4.064 4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.368 2.443 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.353 4.219 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.804 3.376 1.146 1.00 0.00 H new ATOM 423 N CYS A 37 11.269 6.028 3.924 1.00 0.00 N ATOM 424 CA CYS A 37 12.144 7.128 3.422 1.00 0.00 C ATOM 425 C CYS A 37 13.277 6.559 2.565 1.00 0.00 C ATOM 426 O CYS A 37 13.749 7.192 1.641 1.00 0.00 O ATOM 427 CB CYS A 37 12.707 7.790 4.680 1.00 0.00 C ATOM 428 SG CYS A 37 12.758 9.583 4.448 1.00 0.00 S ATOM 0 H CYS A 37 11.158 5.990 4.937 1.00 0.00 H new ATOM 0 HA CYS A 37 11.598 7.834 2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 37 12.088 7.542 5.542 1.00 0.00 H new ATOM 0 HB3 CYS A 37 13.708 7.411 4.886 1.00 0.00 H new ATOM 433 N THR A 38 13.720 5.368 2.863 1.00 0.00 N ATOM 434 CA THR A 38 14.825 4.759 2.069 1.00 0.00 C ATOM 435 C THR A 38 14.268 3.954 0.889 1.00 0.00 C ATOM 436 O THR A 38 15.001 3.292 0.180 1.00 0.00 O ATOM 437 CB THR A 38 15.543 3.832 3.048 1.00 0.00 C ATOM 438 OG1 THR A 38 15.940 4.573 4.195 1.00 0.00 O ATOM 439 CG2 THR A 38 16.777 3.228 2.375 1.00 0.00 C ATOM 0 H THR A 38 13.364 4.789 3.624 1.00 0.00 H new ATOM 0 HA THR A 38 15.488 5.515 1.647 1.00 0.00 H new ATOM 0 HB THR A 38 14.869 3.030 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.399 3.979 4.825 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.287 2.567 3.076 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.471 2.659 1.497 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.454 4.027 2.072 1.00 0.00 H new ATOM 447 N ALA A 39 12.981 3.996 0.671 1.00 0.00 N ATOM 448 CA ALA A 39 12.394 3.223 -0.462 1.00 0.00 C ATOM 449 C ALA A 39 12.798 1.749 -0.356 1.00 0.00 C ATOM 450 O ALA A 39 12.797 1.022 -1.329 1.00 0.00 O ATOM 451 CB ALA A 39 12.982 3.855 -1.726 1.00 0.00 C ATOM 0 H ALA A 39 12.313 4.530 1.226 1.00 0.00 H new ATOM 0 HA ALA A 39 11.304 3.256 -0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.596 3.338 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.701 4.907 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.068 3.770 -1.704 1.00 0.00 H new ATOM 457 N ARG A 40 13.141 1.308 0.824 1.00 0.00 N ATOM 458 CA ARG A 40 13.546 -0.118 1.010 1.00 0.00 C ATOM 459 C ARG A 40 12.554 -1.066 0.323 1.00 0.00 C ATOM 460 O ARG A 40 12.952 -1.913 -0.453 1.00 0.00 O ATOM 461 CB ARG A 40 13.530 -0.338 2.525 1.00 0.00 C ATOM 462 CG ARG A 40 14.892 -0.867 2.978 1.00 0.00 C ATOM 463 CD ARG A 40 15.028 -2.337 2.575 1.00 0.00 C ATOM 464 NE ARG A 40 14.296 -3.094 3.627 1.00 0.00 N ATOM 465 CZ ARG A 40 13.655 -4.188 3.316 1.00 0.00 C ATOM 466 NH1 ARG A 40 12.408 -4.126 2.934 1.00 0.00 N ATOM 467 NH2 ARG A 40 14.258 -5.342 3.390 1.00 0.00 N ATOM 0 H ARG A 40 13.159 1.875 1.672 1.00 0.00 H new ATOM 0 HA ARG A 40 14.523 -0.321 0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 40 13.303 0.597 3.037 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.746 -1.046 2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 40 15.691 -0.279 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.993 -0.764 4.058 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.600 -2.517 1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.075 -2.638 2.528 1.00 0.00 H new ATOM 0 HE ARG A 40 14.295 -2.758 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 40 11.936 -3.224 2.879 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.906 -4.980 2.691 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.231 -5.390 3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.756 -6.196 3.147 1.00 0.00 H new ATOM 481 N PRO A 41 11.290 -0.903 0.632 1.00 0.00 N ATOM 482 CA PRO A 41 10.251 -1.773 0.031 1.00 0.00 C ATOM 483 C PRO A 41 10.009 -1.400 -1.434 1.00 0.00 C ATOM 484 O PRO A 41 9.255 -0.497 -1.739 1.00 0.00 O ATOM 485 CB PRO A 41 9.010 -1.492 0.877 1.00 0.00 C ATOM 486 CG PRO A 41 9.227 -0.128 1.448 1.00 0.00 C ATOM 487 CD PRO A 41 10.717 0.086 1.554 1.00 0.00 C ATOM 0 HA PRO A 41 10.531 -2.826 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.104 -1.526 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.894 -2.235 1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.775 0.631 0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.757 -0.043 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.994 1.101 1.271 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.070 -0.069 2.574 1.00 0.00 H new ATOM 495 N GLU A 42 10.634 -2.098 -2.344 1.00 0.00 N ATOM 496 CA GLU A 42 10.429 -1.792 -3.791 1.00 0.00 C ATOM 497 C GLU A 42 8.931 -1.771 -4.107 1.00 0.00 C ATOM 498 O GLU A 42 8.432 -0.872 -4.752 1.00 0.00 O ATOM 499 CB GLU A 42 11.131 -2.934 -4.535 1.00 0.00 C ATOM 500 CG GLU A 42 10.767 -2.890 -6.022 1.00 0.00 C ATOM 501 CD GLU A 42 11.777 -3.717 -6.821 1.00 0.00 C ATOM 502 OE1 GLU A 42 12.906 -3.832 -6.373 1.00 0.00 O ATOM 503 OE2 GLU A 42 11.402 -4.222 -7.868 1.00 0.00 O ATOM 0 H GLU A 42 11.277 -2.866 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 42 10.827 -0.819 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.211 -2.849 -4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.837 -3.893 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.761 -3.281 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.764 -1.859 -6.376 1.00 0.00 H new ATOM 510 N ARG A 43 8.213 -2.758 -3.648 1.00 0.00 N ATOM 511 CA ARG A 43 6.748 -2.801 -3.907 1.00 0.00 C ATOM 512 C ARG A 43 5.994 -2.533 -2.602 1.00 0.00 C ATOM 513 O ARG A 43 5.730 -3.444 -1.843 1.00 0.00 O ATOM 514 CB ARG A 43 6.475 -4.221 -4.406 1.00 0.00 C ATOM 515 CG ARG A 43 5.114 -4.265 -5.103 1.00 0.00 C ATOM 516 CD ARG A 43 5.318 -4.308 -6.620 1.00 0.00 C ATOM 517 NE ARG A 43 4.971 -5.701 -7.015 1.00 0.00 N ATOM 518 CZ ARG A 43 5.344 -6.160 -8.180 1.00 0.00 C ATOM 519 NH1 ARG A 43 4.619 -5.915 -9.239 1.00 0.00 N ATOM 520 NH2 ARG A 43 6.439 -6.860 -8.286 1.00 0.00 N ATOM 0 H ARG A 43 8.579 -3.539 -3.103 1.00 0.00 H new ATOM 0 HA ARG A 43 6.424 -2.053 -4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.259 -4.532 -5.096 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.490 -4.921 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.554 -5.141 -4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.525 -3.390 -4.829 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.679 -3.584 -7.125 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.347 -4.066 -6.887 1.00 0.00 H new ATOM 0 HE ARG A 43 4.443 -6.296 -6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.763 -5.366 -9.155 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.909 -6.273 -10.149 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.005 -7.050 -7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.729 -7.218 -9.196 1.00 0.00 H new ATOM 534 N PRO A 44 5.677 -1.282 -2.377 1.00 0.00 N ATOM 535 CA PRO A 44 4.954 -0.900 -1.140 1.00 0.00 C ATOM 536 C PRO A 44 3.521 -1.439 -1.176 1.00 0.00 C ATOM 537 O PRO A 44 2.882 -1.604 -0.156 1.00 0.00 O ATOM 538 CB PRO A 44 4.976 0.626 -1.166 1.00 0.00 C ATOM 539 CG PRO A 44 5.134 0.981 -2.607 1.00 0.00 C ATOM 540 CD PRO A 44 5.945 -0.119 -3.237 1.00 0.00 C ATOM 0 HA PRO A 44 5.404 -1.304 -0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.056 1.042 -0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.799 1.020 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.162 1.072 -3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.636 1.943 -2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.639 -0.303 -4.267 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.007 0.128 -3.259 1.00 0.00 H new ATOM 548 N MET A 45 3.016 -1.722 -2.345 1.00 0.00 N ATOM 549 CA MET A 45 1.629 -2.259 -2.456 1.00 0.00 C ATOM 550 C MET A 45 1.457 -3.471 -1.537 1.00 0.00 C ATOM 551 O MET A 45 0.618 -3.483 -0.658 1.00 0.00 O ATOM 552 CB MET A 45 1.490 -2.673 -3.921 1.00 0.00 C ATOM 553 CG MET A 45 0.014 -2.661 -4.319 1.00 0.00 C ATOM 554 SD MET A 45 -0.123 -2.668 -6.125 1.00 0.00 S ATOM 555 CE MET A 45 -1.336 -1.334 -6.267 1.00 0.00 C ATOM 0 H MET A 45 3.506 -1.604 -3.232 1.00 0.00 H new ATOM 0 HA MET A 45 0.874 -1.530 -2.162 1.00 0.00 H new ATOM 0 HB2 MET A 45 2.054 -1.991 -4.557 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.909 -3.668 -4.070 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.494 -3.531 -3.902 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.477 -1.778 -3.910 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.571 -1.166 -7.318 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.245 -1.610 -5.732 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.925 -0.421 -5.837 1.00 0.00 H new ATOM 565 N ALA A 46 2.248 -4.491 -1.732 1.00 0.00 N ATOM 566 CA ALA A 46 2.135 -5.705 -0.871 1.00 0.00 C ATOM 567 C ALA A 46 2.969 -5.529 0.403 1.00 0.00 C ATOM 568 O ALA A 46 2.758 -6.200 1.395 1.00 0.00 O ATOM 569 CB ALA A 46 2.689 -6.845 -1.721 1.00 0.00 C ATOM 0 H ALA A 46 2.969 -4.537 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 46 1.109 -5.894 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.641 -7.776 -1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.097 -6.941 -2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.726 -6.633 -1.983 1.00 0.00 H new ATOM 575 N PHE A 47 3.919 -4.633 0.381 1.00 0.00 N ATOM 576 CA PHE A 47 4.771 -4.412 1.586 1.00 0.00 C ATOM 577 C PHE A 47 3.897 -4.200 2.825 1.00 0.00 C ATOM 578 O PHE A 47 4.229 -4.638 3.908 1.00 0.00 O ATOM 579 CB PHE A 47 5.568 -3.147 1.275 1.00 0.00 C ATOM 580 CG PHE A 47 6.566 -2.897 2.380 1.00 0.00 C ATOM 581 CD1 PHE A 47 7.457 -3.921 2.772 1.00 0.00 C ATOM 582 CD2 PHE A 47 6.609 -1.638 3.018 1.00 0.00 C ATOM 583 CE1 PHE A 47 8.393 -3.684 3.806 1.00 0.00 C ATOM 584 CE2 PHE A 47 7.544 -1.401 4.051 1.00 0.00 C ATOM 585 CZ PHE A 47 8.435 -2.425 4.445 1.00 0.00 C ATOM 0 H PHE A 47 4.142 -4.043 -0.421 1.00 0.00 H new ATOM 0 HA PHE A 47 5.417 -5.265 1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.085 -3.255 0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.895 -2.295 1.178 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.424 -4.883 2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.927 -0.856 2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.075 -4.465 4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.578 -0.438 4.539 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.149 -2.245 5.235 1.00 0.00 H new ATOM 595 N LEU A 48 2.786 -3.531 2.679 1.00 0.00 N ATOM 596 CA LEU A 48 1.898 -3.293 3.855 1.00 0.00 C ATOM 597 C LEU A 48 1.609 -4.612 4.579 1.00 0.00 C ATOM 598 O LEU A 48 1.699 -4.701 5.788 1.00 0.00 O ATOM 599 CB LEU A 48 0.611 -2.710 3.273 1.00 0.00 C ATOM 600 CG LEU A 48 -0.076 -1.843 4.328 1.00 0.00 C ATOM 601 CD1 LEU A 48 0.652 -0.502 4.444 1.00 0.00 C ATOM 602 CD2 LEU A 48 -1.530 -1.596 3.918 1.00 0.00 C ATOM 0 H LEU A 48 2.454 -3.139 1.798 1.00 0.00 H new ATOM 0 HA LEU A 48 2.355 -2.624 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.836 -2.115 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.055 -3.513 2.957 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.049 -2.356 5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.161 0.115 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.688 -0.674 4.736 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.627 0.010 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.020 -0.978 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.555 -1.085 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.052 -2.549 3.836 1.00 0.00 H new ATOM 614 N ARG A 49 1.267 -5.637 3.847 1.00 0.00 N ATOM 615 CA ARG A 49 0.976 -6.948 4.494 1.00 0.00 C ATOM 616 C ARG A 49 2.216 -7.453 5.232 1.00 0.00 C ATOM 617 O ARG A 49 2.173 -7.742 6.412 1.00 0.00 O ATOM 618 CB ARG A 49 0.616 -7.887 3.343 1.00 0.00 C ATOM 619 CG ARG A 49 0.302 -9.277 3.899 1.00 0.00 C ATOM 620 CD ARG A 49 0.421 -10.314 2.780 1.00 0.00 C ATOM 621 NE ARG A 49 0.759 -11.590 3.474 1.00 0.00 N ATOM 622 CZ ARG A 49 0.140 -12.691 3.155 1.00 0.00 C ATOM 623 NH1 ARG A 49 -0.259 -12.883 1.927 1.00 0.00 N ATOM 624 NH2 ARG A 49 -0.083 -13.602 4.062 1.00 0.00 N ATOM 0 H ARG A 49 1.177 -5.624 2.831 1.00 0.00 H new ATOM 0 HA ARG A 49 0.173 -6.880 5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.244 -7.499 2.798 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.442 -7.945 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.990 -9.520 4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.704 -9.294 4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.511 -10.402 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.195 -10.036 2.065 1.00 0.00 H new ATOM 0 HE ARG A 49 1.476 -11.601 4.200 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.086 -12.171 1.217 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.744 -13.745 1.677 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.227 -13.453 5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.568 -14.464 3.811 1.00 0.00 H new ATOM 638 N GLU A 50 3.324 -7.559 4.551 1.00 0.00 N ATOM 639 CA GLU A 50 4.566 -8.045 5.220 1.00 0.00 C ATOM 640 C GLU A 50 5.168 -6.946 6.109 1.00 0.00 C ATOM 641 O GLU A 50 6.165 -7.153 6.770 1.00 0.00 O ATOM 642 CB GLU A 50 5.520 -8.391 4.077 1.00 0.00 C ATOM 643 CG GLU A 50 6.673 -9.242 4.616 1.00 0.00 C ATOM 644 CD GLU A 50 6.976 -10.373 3.632 1.00 0.00 C ATOM 645 OE1 GLU A 50 6.824 -10.155 2.442 1.00 0.00 O ATOM 646 OE2 GLU A 50 7.353 -11.442 4.087 1.00 0.00 O ATOM 0 H GLU A 50 3.424 -7.331 3.562 1.00 0.00 H new ATOM 0 HA GLU A 50 4.373 -8.900 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.987 -8.934 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.908 -7.479 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.559 -8.624 4.760 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.410 -9.654 5.590 1.00 0.00 H new ATOM 653 N TYR A 51 4.575 -5.780 6.133 1.00 0.00 N ATOM 654 CA TYR A 51 5.124 -4.682 6.978 1.00 0.00 C ATOM 655 C TYR A 51 4.695 -4.871 8.438 1.00 0.00 C ATOM 656 O TYR A 51 5.490 -5.222 9.287 1.00 0.00 O ATOM 657 CB TYR A 51 4.524 -3.398 6.395 1.00 0.00 C ATOM 658 CG TYR A 51 4.831 -2.225 7.299 1.00 0.00 C ATOM 659 CD1 TYR A 51 6.101 -1.610 7.257 1.00 0.00 C ATOM 660 CD2 TYR A 51 3.843 -1.746 8.191 1.00 0.00 C ATOM 661 CE1 TYR A 51 6.386 -0.518 8.106 1.00 0.00 C ATOM 662 CE2 TYR A 51 4.129 -0.654 9.040 1.00 0.00 C ATOM 663 CZ TYR A 51 5.400 -0.038 8.997 1.00 0.00 C ATOM 664 OH TYR A 51 5.676 1.029 9.829 1.00 0.00 O ATOM 0 H TYR A 51 3.736 -5.543 5.604 1.00 0.00 H new ATOM 0 HA TYR A 51 6.214 -4.659 6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.930 -3.217 5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.445 -3.509 6.284 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.855 -1.975 6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.871 -2.215 8.223 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.359 -0.049 8.074 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.376 -0.290 9.723 1.00 0.00 H new ATOM 0 HH TYR A 51 4.851 1.527 10.007 1.00 0.00 H new ATOM 674 N PHE A 52 3.449 -4.628 8.739 1.00 0.00 N ATOM 675 CA PHE A 52 2.980 -4.781 10.147 1.00 0.00 C ATOM 676 C PHE A 52 2.887 -6.263 10.531 1.00 0.00 C ATOM 677 O PHE A 52 2.815 -6.604 11.695 1.00 0.00 O ATOM 678 CB PHE A 52 1.598 -4.129 10.181 1.00 0.00 C ATOM 679 CG PHE A 52 1.476 -3.285 11.427 1.00 0.00 C ATOM 680 CD1 PHE A 52 1.124 -3.886 12.656 1.00 0.00 C ATOM 681 CD2 PHE A 52 1.715 -1.895 11.366 1.00 0.00 C ATOM 682 CE1 PHE A 52 1.012 -3.097 13.822 1.00 0.00 C ATOM 683 CE2 PHE A 52 1.604 -1.105 12.531 1.00 0.00 C ATOM 684 CZ PHE A 52 1.252 -1.706 13.760 1.00 0.00 C ATOM 0 H PHE A 52 2.736 -4.331 8.073 1.00 0.00 H new ATOM 0 HA PHE A 52 3.667 -4.319 10.856 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.452 -3.512 9.294 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.822 -4.894 10.168 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.940 -4.949 12.704 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.983 -1.435 10.426 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.743 -3.557 14.761 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.788 -0.042 12.483 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.166 -1.103 14.652 1.00 0.00 H new ATOM 694 N GLU A 53 2.887 -7.144 9.568 1.00 0.00 N ATOM 695 CA GLU A 53 2.798 -8.597 9.897 1.00 0.00 C ATOM 696 C GLU A 53 4.080 -9.062 10.595 1.00 0.00 C ATOM 697 O GLU A 53 4.041 -9.821 11.544 1.00 0.00 O ATOM 698 CB GLU A 53 2.631 -9.298 8.546 1.00 0.00 C ATOM 699 CG GLU A 53 2.665 -10.815 8.745 1.00 0.00 C ATOM 700 CD GLU A 53 2.121 -11.507 7.494 1.00 0.00 C ATOM 701 OE1 GLU A 53 1.200 -10.972 6.898 1.00 0.00 O ATOM 702 OE2 GLU A 53 2.636 -12.557 7.150 1.00 0.00 O ATOM 0 H GLU A 53 2.944 -6.924 8.574 1.00 0.00 H new ATOM 0 HA GLU A 53 1.974 -8.819 10.575 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.688 -9.003 8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.426 -8.993 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.686 -11.144 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.069 -11.092 9.615 1.00 0.00 H new ATOM 709 N LYS A 54 5.215 -8.612 10.136 1.00 0.00 N ATOM 710 CA LYS A 54 6.497 -9.027 10.778 1.00 0.00 C ATOM 711 C LYS A 54 6.850 -8.073 11.922 1.00 0.00 C ATOM 712 O LYS A 54 7.381 -8.476 12.938 1.00 0.00 O ATOM 713 CB LYS A 54 7.545 -8.940 9.667 1.00 0.00 C ATOM 714 CG LYS A 54 7.623 -10.280 8.933 1.00 0.00 C ATOM 715 CD LYS A 54 8.654 -10.184 7.805 1.00 0.00 C ATOM 716 CE LYS A 54 9.036 -11.591 7.339 1.00 0.00 C ATOM 717 NZ LYS A 54 10.106 -11.382 6.323 1.00 0.00 N ATOM 0 H LYS A 54 5.312 -7.975 9.345 1.00 0.00 H new ATOM 0 HA LYS A 54 6.438 -10.028 11.205 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.284 -8.145 8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.518 -8.687 10.089 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.901 -11.072 9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.646 -10.542 8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.245 -9.612 6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.540 -9.652 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.394 -12.199 8.170 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.180 -12.111 6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.421 -12.303 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.734 -10.806 5.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.911 -10.891 6.762 1.00 0.00 H new ATOM 731 N LEU A 55 6.558 -6.810 11.765 1.00 0.00 N ATOM 732 CA LEU A 55 6.877 -5.830 12.843 1.00 0.00 C ATOM 733 C LEU A 55 6.247 -6.273 14.167 1.00 0.00 C ATOM 734 O LEU A 55 6.702 -5.913 15.233 1.00 0.00 O ATOM 735 CB LEU A 55 6.265 -4.509 12.374 1.00 0.00 C ATOM 736 CG LEU A 55 7.382 -3.501 12.091 1.00 0.00 C ATOM 737 CD1 LEU A 55 6.794 -2.266 11.404 1.00 0.00 C ATOM 738 CD2 LEU A 55 8.036 -3.085 13.411 1.00 0.00 C ATOM 0 H LEU A 55 6.112 -6.414 10.937 1.00 0.00 H new ATOM 0 HA LEU A 55 7.950 -5.743 13.016 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.670 -4.670 11.475 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.591 -4.117 13.136 1.00 0.00 H new ATOM 0 HG LEU A 55 8.128 -3.958 11.441 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.589 -1.548 11.203 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.325 -2.561 10.465 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.049 -1.808 12.054 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.832 -2.367 13.212 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.288 -2.628 14.059 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.454 -3.963 13.903 1.00 0.00 H new ATOM 750 N GLU A 56 5.203 -7.052 14.105 1.00 0.00 N ATOM 751 CA GLU A 56 4.546 -7.516 15.364 1.00 0.00 C ATOM 752 C GLU A 56 5.538 -8.310 16.215 1.00 0.00 C ATOM 753 O GLU A 56 5.489 -8.287 17.429 1.00 0.00 O ATOM 754 CB GLU A 56 3.393 -8.409 14.905 1.00 0.00 C ATOM 755 CG GLU A 56 2.262 -8.349 15.933 1.00 0.00 C ATOM 756 CD GLU A 56 1.598 -6.971 15.884 1.00 0.00 C ATOM 757 OE1 GLU A 56 2.092 -6.073 16.547 1.00 0.00 O ATOM 758 OE2 GLU A 56 0.608 -6.836 15.183 1.00 0.00 O ATOM 0 H GLU A 56 4.776 -7.388 13.242 1.00 0.00 H new ATOM 0 HA GLU A 56 4.196 -6.686 15.978 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.031 -8.082 13.930 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.739 -9.436 14.788 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.526 -9.126 15.725 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.654 -8.540 16.932 1.00 0.00 H new ATOM 765 N LYS A 57 6.441 -9.016 15.587 1.00 0.00 N ATOM 766 CA LYS A 57 7.437 -9.811 16.360 1.00 0.00 C ATOM 767 C LYS A 57 8.674 -8.960 16.658 1.00 0.00 C ATOM 768 O LYS A 57 9.786 -9.327 16.329 1.00 0.00 O ATOM 769 CB LYS A 57 7.799 -10.986 15.451 1.00 0.00 C ATOM 770 CG LYS A 57 8.305 -12.153 16.301 1.00 0.00 C ATOM 771 CD LYS A 57 8.747 -13.298 15.388 1.00 0.00 C ATOM 772 CE LYS A 57 8.243 -14.628 15.955 1.00 0.00 C ATOM 773 NZ LYS A 57 6.786 -14.650 15.644 1.00 0.00 N ATOM 0 H LYS A 57 6.531 -9.076 14.573 1.00 0.00 H new ATOM 0 HA LYS A 57 7.043 -10.146 17.320 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.928 -11.294 14.873 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.565 -10.684 14.736 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.139 -11.828 16.924 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.518 -12.494 16.974 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.355 -13.147 14.382 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.834 -13.314 15.307 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.757 -15.473 15.497 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.419 -14.692 17.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.243 -14.698 16.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.528 -13.786 15.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.568 -15.482 15.059 1.00 0.00 H new ATOM 787 N GLU A 58 8.492 -7.826 17.277 1.00 0.00 N ATOM 788 CA GLU A 58 9.656 -6.951 17.595 1.00 0.00 C ATOM 789 C GLU A 58 10.673 -7.710 18.451 1.00 0.00 C ATOM 790 O GLU A 58 11.836 -7.363 18.505 1.00 0.00 O ATOM 791 CB GLU A 58 9.067 -5.778 18.377 1.00 0.00 C ATOM 792 CG GLU A 58 8.400 -6.300 19.652 1.00 0.00 C ATOM 793 CD GLU A 58 6.997 -5.703 19.774 1.00 0.00 C ATOM 794 OE1 GLU A 58 6.260 -5.768 18.803 1.00 0.00 O ATOM 795 OE2 GLU A 58 6.682 -5.191 20.836 1.00 0.00 O ATOM 0 H GLU A 58 7.586 -7.467 17.577 1.00 0.00 H new ATOM 0 HA GLU A 58 10.181 -6.622 16.698 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.852 -5.065 18.630 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.339 -5.247 17.764 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.343 -7.388 19.626 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.998 -6.033 20.524 1.00 0.00 H new ATOM 922 N CYS B 16 14.529 12.299 0.284 1.00 0.00 N ATOM 923 CA CYS B 16 13.346 11.758 1.017 1.00 0.00 C ATOM 924 C CYS B 16 12.166 12.735 0.942 1.00 0.00 C ATOM 925 O CYS B 16 11.125 12.505 1.524 1.00 0.00 O ATOM 926 CB CYS B 16 13.817 11.602 2.463 1.00 0.00 C ATOM 927 SG CYS B 16 13.979 9.845 2.862 1.00 0.00 S ATOM 0 HA CYS B 16 12.999 10.817 0.591 1.00 0.00 H new ATOM 0 HB2 CYS B 16 14.773 12.106 2.601 1.00 0.00 H new ATOM 0 HB3 CYS B 16 13.106 12.075 3.141 1.00 0.00 H new ATOM 932 N GLU B 17 12.312 13.822 0.232 1.00 0.00 N ATOM 933 CA GLU B 17 11.191 14.799 0.131 1.00 0.00 C ATOM 934 C GLU B 17 10.165 14.319 -0.901 1.00 0.00 C ATOM 935 O GLU B 17 8.986 14.592 -0.790 1.00 0.00 O ATOM 936 CB GLU B 17 11.846 16.102 -0.329 1.00 0.00 C ATOM 937 CG GLU B 17 10.794 17.210 -0.400 1.00 0.00 C ATOM 938 CD GLU B 17 11.190 18.222 -1.478 1.00 0.00 C ATOM 939 OE1 GLU B 17 12.375 18.340 -1.743 1.00 0.00 O ATOM 940 OE2 GLU B 17 10.302 18.860 -2.018 1.00 0.00 O ATOM 0 H GLU B 17 13.157 14.074 -0.281 1.00 0.00 H new ATOM 0 HA GLU B 17 10.659 14.920 1.075 1.00 0.00 H new ATOM 0 HB2 GLU B 17 12.640 16.385 0.362 1.00 0.00 H new ATOM 0 HB3 GLU B 17 12.308 15.963 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU B 17 9.817 16.784 -0.627 1.00 0.00 H new ATOM 0 HG3 GLU B 17 10.708 17.707 0.566 1.00 0.00 H new ATOM 947 N LEU B 18 10.605 13.606 -1.902 1.00 0.00 N ATOM 948 CA LEU B 18 9.657 13.110 -2.942 1.00 0.00 C ATOM 949 C LEU B 18 9.113 11.729 -2.558 1.00 0.00 C ATOM 950 O LEU B 18 8.032 11.345 -2.959 1.00 0.00 O ATOM 951 CB LEU B 18 10.489 13.016 -4.222 1.00 0.00 C ATOM 952 CG LEU B 18 9.620 13.394 -5.424 1.00 0.00 C ATOM 953 CD1 LEU B 18 9.318 14.893 -5.386 1.00 0.00 C ATOM 954 CD2 LEU B 18 10.364 13.056 -6.719 1.00 0.00 C ATOM 0 H LEU B 18 11.581 13.345 -2.045 1.00 0.00 H new ATOM 0 HA LEU B 18 8.796 13.768 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU B 18 11.350 13.681 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU B 18 10.876 12.004 -4.343 1.00 0.00 H new ATOM 0 HG LEU B 18 8.685 12.835 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU B 18 8.699 15.161 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU B 18 8.787 15.134 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU B 18 10.252 15.453 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU B 18 9.745 13.325 -7.575 1.00 0.00 H new ATOM 0 HD22 LEU B 18 11.299 13.614 -6.758 1.00 0.00 H new ATOM 0 HD23 LEU B 18 10.578 11.988 -6.748 1.00 0.00 H new ATOM 966 N TYR B 19 9.855 10.978 -1.792 1.00 0.00 N ATOM 967 CA TYR B 19 9.382 9.619 -1.390 1.00 0.00 C ATOM 968 C TYR B 19 8.589 9.685 -0.082 1.00 0.00 C ATOM 969 O TYR B 19 8.455 8.705 0.622 1.00 0.00 O ATOM 970 CB TYR B 19 10.658 8.805 -1.194 1.00 0.00 C ATOM 971 CG TYR B 19 10.380 7.351 -1.490 1.00 0.00 C ATOM 972 CD1 TYR B 19 9.919 6.496 -0.463 1.00 0.00 C ATOM 973 CD2 TYR B 19 10.582 6.842 -2.793 1.00 0.00 C ATOM 974 CE1 TYR B 19 9.660 5.135 -0.738 1.00 0.00 C ATOM 975 CE2 TYR B 19 10.324 5.482 -3.070 1.00 0.00 C ATOM 976 CZ TYR B 19 9.863 4.628 -2.041 1.00 0.00 C ATOM 977 OH TYR B 19 9.611 3.297 -2.311 1.00 0.00 O ATOM 0 H TYR B 19 10.769 11.245 -1.426 1.00 0.00 H new ATOM 0 HA TYR B 19 8.719 9.181 -2.136 1.00 0.00 H new ATOM 0 HB2 TYR B 19 11.444 9.177 -1.852 1.00 0.00 H new ATOM 0 HB3 TYR B 19 11.019 8.916 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR B 19 9.765 6.884 0.533 1.00 0.00 H new ATOM 0 HD2 TYR B 19 10.934 7.495 -3.578 1.00 0.00 H new ATOM 0 HE1 TYR B 19 9.307 4.483 0.047 1.00 0.00 H new ATOM 0 HE2 TYR B 19 10.478 5.094 -4.066 1.00 0.00 H new ATOM 0 HH TYR B 19 9.801 3.113 -3.255 1.00 0.00 H new ATOM 987 N VAL B 20 8.060 10.829 0.248 1.00 0.00 N ATOM 988 CA VAL B 20 7.276 10.948 1.506 1.00 0.00 C ATOM 989 C VAL B 20 5.960 10.165 1.372 1.00 0.00 C ATOM 990 O VAL B 20 5.968 8.981 1.094 1.00 0.00 O ATOM 991 CB VAL B 20 7.039 12.456 1.676 1.00 0.00 C ATOM 992 CG1 VAL B 20 8.379 13.163 1.888 1.00 0.00 C ATOM 993 CG2 VAL B 20 6.359 13.017 0.420 1.00 0.00 C ATOM 0 H VAL B 20 8.137 11.686 -0.299 1.00 0.00 H new ATOM 0 HA VAL B 20 7.787 10.533 2.375 1.00 0.00 H new ATOM 0 HB VAL B 20 6.397 12.624 2.541 1.00 0.00 H new ATOM 0 HG11 VAL B 20 8.211 14.233 2.009 1.00 0.00 H new ATOM 0 HG12 VAL B 20 8.861 12.768 2.782 1.00 0.00 H new ATOM 0 HG13 VAL B 20 9.021 12.992 1.024 1.00 0.00 H new ATOM 0 HG21 VAL B 20 6.192 14.087 0.544 1.00 0.00 H new ATOM 0 HG22 VAL B 20 6.998 12.847 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL B 20 5.403 12.516 0.269 1.00 0.00 H new ATOM 1003 N GLN B 21 4.830 10.795 1.565 1.00 0.00 N ATOM 1004 CA GLN B 21 3.539 10.058 1.444 1.00 0.00 C ATOM 1005 C GLN B 21 3.015 10.134 0.007 1.00 0.00 C ATOM 1006 O GLN B 21 2.604 9.147 -0.570 1.00 0.00 O ATOM 1007 CB GLN B 21 2.583 10.772 2.401 1.00 0.00 C ATOM 1008 CG GLN B 21 2.955 10.427 3.845 1.00 0.00 C ATOM 1009 CD GLN B 21 3.393 11.696 4.577 1.00 0.00 C ATOM 1010 OE1 GLN B 21 2.572 12.443 5.068 1.00 0.00 O ATOM 1011 NE2 GLN B 21 4.666 11.972 4.676 1.00 0.00 N ATOM 0 H GLN B 21 4.746 11.784 1.800 1.00 0.00 H new ATOM 0 HA GLN B 21 3.645 9.001 1.686 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.636 11.850 2.248 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.555 10.471 2.197 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.102 9.977 4.354 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.759 9.691 3.859 1.00 0.00 H new ATOM 0 HE21 GLN B 21 5.357 11.345 4.264 1.00 0.00 H new ATOM 0 HE22 GLN B 21 4.969 12.814 5.165 1.00 0.00 H new ATOM 1020 N LYS B 22 3.026 11.302 -0.574 1.00 0.00 N ATOM 1021 CA LYS B 22 2.526 11.447 -1.972 1.00 0.00 C ATOM 1022 C LYS B 22 3.512 10.814 -2.956 1.00 0.00 C ATOM 1023 O LYS B 22 4.087 11.483 -3.792 1.00 0.00 O ATOM 1024 CB LYS B 22 2.436 12.955 -2.206 1.00 0.00 C ATOM 1025 CG LYS B 22 1.207 13.269 -3.061 1.00 0.00 C ATOM 1026 CD LYS B 22 0.792 14.726 -2.842 1.00 0.00 C ATOM 1027 CE LYS B 22 0.087 14.856 -1.490 1.00 0.00 C ATOM 1028 NZ LYS B 22 -0.554 16.201 -1.519 1.00 0.00 N ATOM 0 H LYS B 22 3.360 12.163 -0.141 1.00 0.00 H new ATOM 0 HA LYS B 22 1.566 10.951 -2.119 1.00 0.00 H new ATOM 0 HB2 LYS B 22 2.371 13.478 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS B 22 3.338 13.311 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS B 22 1.430 13.098 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.386 12.602 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS B 22 1.668 15.374 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS B 22 0.128 15.051 -3.643 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.654 14.068 -1.354 1.00 0.00 H new ATOM 0 HE3 LYS B 22 0.795 14.774 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -1.058 16.365 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 0.176 16.931 -1.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -1.228 16.247 -2.310 1.00 0.00 H new ATOM 1042 N HIS B 23 3.714 9.527 -2.866 1.00 0.00 N ATOM 1043 CA HIS B 23 4.666 8.859 -3.799 1.00 0.00 C ATOM 1044 C HIS B 23 4.517 7.338 -3.720 1.00 0.00 C ATOM 1045 O HIS B 23 4.603 6.646 -4.715 1.00 0.00 O ATOM 1046 CB HIS B 23 6.053 9.287 -3.322 1.00 0.00 C ATOM 1047 CG HIS B 23 6.976 9.406 -4.504 1.00 0.00 C ATOM 1048 ND1 HIS B 23 6.591 10.029 -5.681 1.00 0.00 N ATOM 1049 CD2 HIS B 23 8.266 8.986 -4.707 1.00 0.00 C ATOM 1050 CE1 HIS B 23 7.632 9.967 -6.531 1.00 0.00 C ATOM 1051 NE2 HIS B 23 8.679 9.341 -5.986 1.00 0.00 N ATOM 0 H HIS B 23 3.263 8.911 -2.189 1.00 0.00 H new ATOM 0 HA HIS B 23 4.486 9.138 -4.837 1.00 0.00 H new ATOM 0 HB2 HIS B 23 5.991 10.241 -2.798 1.00 0.00 H new ATOM 0 HB3 HIS B 23 6.446 8.559 -2.612 1.00 0.00 H new ATOM 0 HD2 HIS B 23 8.870 8.459 -3.983 1.00 0.00 H new ATOM 0 HE1 HIS B 23 7.623 10.374 -7.532 1.00 0.00 H new ATOM 0 HE2 HIS B 23 9.586 9.162 -6.416 1.00 0.00 H new ATOM 1059 N ASN B 24 4.300 6.808 -2.548 1.00 0.00 N ATOM 1060 CA ASN B 24 4.154 5.328 -2.418 1.00 0.00 C ATOM 1061 C ASN B 24 3.107 4.983 -1.354 1.00 0.00 C ATOM 1062 O ASN B 24 2.321 4.071 -1.519 1.00 0.00 O ATOM 1063 CB ASN B 24 5.536 4.831 -1.994 1.00 0.00 C ATOM 1064 CG ASN B 24 6.560 5.192 -3.073 1.00 0.00 C ATOM 1065 OD1 ASN B 24 7.245 6.190 -2.967 1.00 0.00 O ATOM 1066 ND2 ASN B 24 6.691 4.420 -4.116 1.00 0.00 N ATOM 0 H ASN B 24 4.217 7.332 -1.677 1.00 0.00 H new ATOM 0 HA ASN B 24 3.820 4.865 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN B 24 5.820 5.281 -1.043 1.00 0.00 H new ATOM 0 HB3 ASN B 24 5.516 3.752 -1.843 1.00 0.00 H new ATOM 0 HD21 ASN B 24 7.368 4.654 -4.842 1.00 0.00 H new ATOM 0 HD22 ASN B 24 6.116 3.582 -4.206 1.00 0.00 H new ATOM 1073 N ILE B 25 3.093 5.697 -0.264 1.00 0.00 N ATOM 1074 CA ILE B 25 2.098 5.405 0.808 1.00 0.00 C ATOM 1075 C ILE B 25 0.775 6.133 0.540 1.00 0.00 C ATOM 1076 O ILE B 25 -0.185 5.974 1.267 1.00 0.00 O ATOM 1077 CB ILE B 25 2.741 5.924 2.094 1.00 0.00 C ATOM 1078 CG1 ILE B 25 4.087 5.225 2.309 1.00 0.00 C ATOM 1079 CG2 ILE B 25 1.822 5.632 3.281 1.00 0.00 C ATOM 1080 CD1 ILE B 25 4.953 6.065 3.248 1.00 0.00 C ATOM 0 H ILE B 25 3.728 6.471 -0.068 1.00 0.00 H new ATOM 0 HA ILE B 25 1.861 4.342 0.863 1.00 0.00 H new ATOM 0 HB ILE B 25 2.897 7.000 2.012 1.00 0.00 H new ATOM 0 HG12 ILE B 25 3.930 4.233 2.732 1.00 0.00 H new ATOM 0 HG13 ILE B 25 4.594 5.088 1.354 1.00 0.00 H new ATOM 0 HG21 ILE B 25 2.282 6.003 4.197 1.00 0.00 H new ATOM 0 HG22 ILE B 25 0.863 6.128 3.130 1.00 0.00 H new ATOM 0 HG23 ILE B 25 1.665 4.557 3.363 1.00 0.00 H new ATOM 0 HD11 ILE B 25 5.911 5.568 3.401 1.00 0.00 H new ATOM 0 HD12 ILE B 25 5.120 7.048 2.807 1.00 0.00 H new ATOM 0 HD13 ILE B 25 4.446 6.179 4.206 1.00 0.00 H new ATOM 1092 N GLN B 26 0.709 6.930 -0.495 1.00 0.00 N ATOM 1093 CA GLN B 26 -0.559 7.659 -0.793 1.00 0.00 C ATOM 1094 C GLN B 26 -1.684 6.664 -1.089 1.00 0.00 C ATOM 1095 O GLN B 26 -2.767 6.758 -0.546 1.00 0.00 O ATOM 1096 CB GLN B 26 -0.251 8.504 -2.030 1.00 0.00 C ATOM 1097 CG GLN B 26 -0.892 9.885 -1.879 1.00 0.00 C ATOM 1098 CD GLN B 26 -2.416 9.744 -1.868 1.00 0.00 C ATOM 1099 OE1 GLN B 26 -2.973 8.993 -2.643 1.00 0.00 O ATOM 1100 NE2 GLN B 26 -3.118 10.440 -1.015 1.00 0.00 N ATOM 0 H GLN B 26 1.475 7.107 -1.144 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.889 8.271 0.046 1.00 0.00 H new ATOM 0 HB2 GLN B 26 0.827 8.604 -2.156 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -0.632 8.011 -2.924 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -0.553 10.355 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -0.582 10.533 -2.699 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -2.650 11.071 -0.364 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -4.134 10.353 -1.000 1.00 0.00 H new ATOM 1109 N ALA B 27 -1.437 5.713 -1.949 1.00 0.00 N ATOM 1110 CA ALA B 27 -2.492 4.714 -2.282 1.00 0.00 C ATOM 1111 C ALA B 27 -2.871 3.902 -1.041 1.00 0.00 C ATOM 1112 O ALA B 27 -3.985 3.436 -0.909 1.00 0.00 O ATOM 1113 CB ALA B 27 -1.856 3.810 -3.340 1.00 0.00 C ATOM 0 H ALA B 27 -0.550 5.585 -2.435 1.00 0.00 H new ATOM 0 HA ALA B 27 -3.407 5.185 -2.640 1.00 0.00 H new ATOM 0 HB1 ALA B 27 -2.570 3.044 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA B 27 -1.577 4.407 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA B 27 -0.967 3.335 -2.926 1.00 0.00 H new ATOM 1119 N LEU B 28 -1.953 3.726 -0.133 1.00 0.00 N ATOM 1120 CA LEU B 28 -2.258 2.941 1.099 1.00 0.00 C ATOM 1121 C LEU B 28 -3.243 3.703 1.993 1.00 0.00 C ATOM 1122 O LEU B 28 -4.236 3.164 2.437 1.00 0.00 O ATOM 1123 CB LEU B 28 -0.911 2.776 1.805 1.00 0.00 C ATOM 1124 CG LEU B 28 0.020 1.936 0.934 1.00 0.00 C ATOM 1125 CD1 LEU B 28 1.445 2.013 1.487 1.00 0.00 C ATOM 1126 CD2 LEU B 28 -0.452 0.480 0.941 1.00 0.00 C ATOM 0 H LEU B 28 -1.002 4.092 -0.189 1.00 0.00 H new ATOM 0 HA LEU B 28 -2.722 1.982 0.869 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -0.466 3.753 1.995 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -1.052 2.296 2.773 1.00 0.00 H new ATOM 0 HG LEU B 28 0.006 2.318 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU B 28 2.110 1.413 0.865 1.00 0.00 H new ATOM 0 HD12 LEU B 28 1.781 3.050 1.483 1.00 0.00 H new ATOM 0 HD13 LEU B 28 1.460 1.631 2.508 1.00 0.00 H new ATOM 0 HD21 LEU B 28 0.212 -0.121 0.319 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -0.438 0.098 1.962 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -1.467 0.425 0.547 1.00 0.00 H new ATOM 1138 N LEU B 29 -2.974 4.951 2.260 1.00 0.00 N ATOM 1139 CA LEU B 29 -3.892 5.745 3.127 1.00 0.00 C ATOM 1140 C LEU B 29 -5.168 6.106 2.363 1.00 0.00 C ATOM 1141 O LEU B 29 -6.222 6.279 2.939 1.00 0.00 O ATOM 1142 CB LEU B 29 -3.106 7.007 3.483 1.00 0.00 C ATOM 1143 CG LEU B 29 -2.213 6.733 4.693 1.00 0.00 C ATOM 1144 CD1 LEU B 29 -3.078 6.341 5.892 1.00 0.00 C ATOM 1145 CD2 LEU B 29 -1.247 5.591 4.367 1.00 0.00 C ATOM 0 H LEU B 29 -2.158 5.456 1.915 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.201 5.192 4.014 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -2.499 7.320 2.634 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -3.792 7.825 3.703 1.00 0.00 H new ATOM 0 HG LEU B 29 -1.646 7.632 4.934 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -2.439 6.146 6.753 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -3.765 7.154 6.126 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -3.647 5.443 5.652 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -0.610 5.396 5.230 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -1.814 4.693 4.124 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -0.628 5.871 3.515 1.00 0.00 H new ATOM 1157 N LYS B 30 -5.076 6.227 1.065 1.00 0.00 N ATOM 1158 CA LYS B 30 -6.279 6.582 0.255 1.00 0.00 C ATOM 1159 C LYS B 30 -7.463 5.678 0.621 1.00 0.00 C ATOM 1160 O LYS B 30 -8.415 6.107 1.244 1.00 0.00 O ATOM 1161 CB LYS B 30 -5.860 6.353 -1.197 1.00 0.00 C ATOM 1162 CG LYS B 30 -7.043 6.644 -2.121 1.00 0.00 C ATOM 1163 CD LYS B 30 -6.525 7.142 -3.471 1.00 0.00 C ATOM 1164 CE LYS B 30 -7.256 8.432 -3.856 1.00 0.00 C ATOM 1165 NZ LYS B 30 -6.934 8.642 -5.294 1.00 0.00 N ATOM 0 H LYS B 30 -4.218 6.095 0.529 1.00 0.00 H new ATOM 0 HA LYS B 30 -6.602 7.608 0.432 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -5.019 6.999 -1.450 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -5.524 5.325 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -7.641 5.743 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -7.694 7.393 -1.671 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -5.451 7.323 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -6.682 6.381 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -8.331 8.338 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -6.919 9.273 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -7.400 9.509 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -5.905 8.735 -5.409 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -7.272 7.829 -5.848 1.00 0.00 H new ATOM 1179 N ASP B 31 -7.412 4.432 0.237 1.00 0.00 N ATOM 1180 CA ASP B 31 -8.537 3.505 0.557 1.00 0.00 C ATOM 1181 C ASP B 31 -8.657 3.314 2.071 1.00 0.00 C ATOM 1182 O ASP B 31 -9.732 3.101 2.596 1.00 0.00 O ATOM 1183 CB ASP B 31 -8.163 2.185 -0.119 1.00 0.00 C ATOM 1184 CG ASP B 31 -8.902 2.065 -1.453 1.00 0.00 C ATOM 1185 OD1 ASP B 31 -8.479 2.705 -2.402 1.00 0.00 O ATOM 1186 OD2 ASP B 31 -9.877 1.333 -1.504 1.00 0.00 O ATOM 0 H ASP B 31 -6.641 4.015 -0.284 1.00 0.00 H new ATOM 0 HA ASP B 31 -9.497 3.888 0.210 1.00 0.00 H new ATOM 0 HB2 ASP B 31 -7.086 2.141 -0.283 1.00 0.00 H new ATOM 0 HB3 ASP B 31 -8.422 1.347 0.528 1.00 0.00 H new ATOM 1191 N SER B 32 -7.563 3.384 2.778 1.00 0.00 N ATOM 1192 CA SER B 32 -7.616 3.202 4.258 1.00 0.00 C ATOM 1193 C SER B 32 -8.553 4.235 4.892 1.00 0.00 C ATOM 1194 O SER B 32 -9.510 3.891 5.557 1.00 0.00 O ATOM 1195 CB SER B 32 -6.181 3.417 4.735 1.00 0.00 C ATOM 1196 OG SER B 32 -5.570 2.153 4.970 1.00 0.00 O ATOM 0 H SER B 32 -6.634 3.559 2.396 1.00 0.00 H new ATOM 0 HA SER B 32 -7.997 2.220 4.537 1.00 0.00 H new ATOM 0 HB2 SER B 32 -5.616 3.974 3.987 1.00 0.00 H new ATOM 0 HB3 SER B 32 -6.174 4.013 5.648 1.00 0.00 H new ATOM 0 HG SER B 32 -5.952 1.487 4.361 1.00 0.00 H new ATOM 1202 N ILE B 33 -8.284 5.497 4.695 1.00 0.00 N ATOM 1203 CA ILE B 33 -9.158 6.548 5.291 1.00 0.00 C ATOM 1204 C ILE B 33 -10.614 6.332 4.867 1.00 0.00 C ATOM 1205 O ILE B 33 -11.530 6.517 5.644 1.00 0.00 O ATOM 1206 CB ILE B 33 -8.623 7.870 4.736 1.00 0.00 C ATOM 1207 CG1 ILE B 33 -7.207 8.109 5.271 1.00 0.00 C ATOM 1208 CG2 ILE B 33 -9.532 9.019 5.181 1.00 0.00 C ATOM 1209 CD1 ILE B 33 -6.506 9.160 4.408 1.00 0.00 C ATOM 0 H ILE B 33 -7.497 5.846 4.147 1.00 0.00 H new ATOM 0 HA ILE B 33 -9.142 6.529 6.381 1.00 0.00 H new ATOM 0 HB ILE B 33 -8.602 7.824 3.647 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -7.250 8.444 6.307 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -6.641 7.178 5.260 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -9.150 9.960 4.785 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -10.541 8.851 4.806 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -9.553 9.066 6.270 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -5.499 9.330 4.788 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -6.450 8.807 3.378 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -7.069 10.093 4.442 1.00 0.00 H new ATOM 1221 N VAL B 34 -10.837 5.949 3.641 1.00 0.00 N ATOM 1222 CA VAL B 34 -12.236 5.727 3.172 1.00 0.00 C ATOM 1223 C VAL B 34 -12.863 4.531 3.895 1.00 0.00 C ATOM 1224 O VAL B 34 -14.064 4.342 3.873 1.00 0.00 O ATOM 1225 CB VAL B 34 -12.113 5.445 1.673 1.00 0.00 C ATOM 1226 CG1 VAL B 34 -13.492 5.109 1.101 1.00 0.00 C ATOM 1227 CG2 VAL B 34 -11.557 6.683 0.967 1.00 0.00 C ATOM 0 H VAL B 34 -10.113 5.780 2.943 1.00 0.00 H new ATOM 0 HA VAL B 34 -12.876 6.586 3.375 1.00 0.00 H new ATOM 0 HB VAL B 34 -11.440 4.602 1.516 1.00 0.00 H new ATOM 0 HG11 VAL B 34 -13.404 4.908 0.033 1.00 0.00 H new ATOM 0 HG12 VAL B 34 -13.890 4.228 1.604 1.00 0.00 H new ATOM 0 HG13 VAL B 34 -14.166 5.951 1.257 1.00 0.00 H new ATOM 0 HG21 VAL B 34 -11.469 6.484 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL B 34 -12.231 7.525 1.125 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -10.575 6.923 1.374 1.00 0.00 H new ATOM 1237 N GLN B 35 -12.066 3.714 4.532 1.00 0.00 N ATOM 1238 CA GLN B 35 -12.628 2.534 5.248 1.00 0.00 C ATOM 1239 C GLN B 35 -12.399 2.661 6.758 1.00 0.00 C ATOM 1240 O GLN B 35 -13.029 1.984 7.547 1.00 0.00 O ATOM 1241 CB GLN B 35 -11.864 1.334 4.686 1.00 0.00 C ATOM 1242 CG GLN B 35 -12.837 0.402 3.960 1.00 0.00 C ATOM 1243 CD GLN B 35 -12.069 -0.790 3.386 1.00 0.00 C ATOM 1244 OE1 GLN B 35 -12.463 -1.924 3.569 1.00 0.00 O ATOM 1245 NE2 GLN B 35 -10.983 -0.579 2.696 1.00 0.00 N ATOM 0 H GLN B 35 -11.052 3.813 4.587 1.00 0.00 H new ATOM 0 HA GLN B 35 -13.704 2.439 5.104 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -11.088 1.673 4.000 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -11.364 0.798 5.493 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -13.607 0.055 4.649 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -13.345 0.941 3.160 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -10.653 0.374 2.543 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -10.463 -1.367 2.309 1.00 0.00 H new ATOM 1254 N LEU B 36 -11.503 3.519 7.167 1.00 0.00 N ATOM 1255 CA LEU B 36 -11.241 3.681 8.626 1.00 0.00 C ATOM 1256 C LEU B 36 -12.164 4.747 9.224 1.00 0.00 C ATOM 1257 O LEU B 36 -12.343 4.824 10.423 1.00 0.00 O ATOM 1258 CB LEU B 36 -9.780 4.122 8.718 1.00 0.00 C ATOM 1259 CG LEU B 36 -8.894 2.904 8.994 1.00 0.00 C ATOM 1260 CD1 LEU B 36 -7.714 2.895 8.020 1.00 0.00 C ATOM 1261 CD2 LEU B 36 -8.367 2.970 10.429 1.00 0.00 C ATOM 0 H LEU B 36 -10.943 4.113 6.556 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.427 2.761 9.180 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -9.475 4.603 7.789 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -9.661 4.859 9.512 1.00 0.00 H new ATOM 0 HG LEU B 36 -9.480 1.995 8.862 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -7.085 2.027 8.219 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -8.087 2.846 6.997 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -7.128 3.805 8.150 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.736 2.103 10.625 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -7.783 3.881 10.561 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -9.206 2.973 11.125 1.00 0.00 H new ATOM 1273 N CYS B 37 -12.753 5.573 8.400 1.00 0.00 N ATOM 1274 CA CYS B 37 -13.661 6.632 8.930 1.00 0.00 C ATOM 1275 C CYS B 37 -14.777 6.004 9.770 1.00 0.00 C ATOM 1276 O CYS B 37 -15.272 6.599 10.706 1.00 0.00 O ATOM 1277 CB CYS B 37 -14.245 7.312 7.690 1.00 0.00 C ATOM 1278 SG CYS B 37 -14.351 9.095 7.976 1.00 0.00 S ATOM 0 H CYS B 37 -12.645 5.560 7.386 1.00 0.00 H new ATOM 0 HA CYS B 37 -13.137 7.337 9.575 1.00 0.00 H new ATOM 0 HB2 CYS B 37 -13.619 7.109 6.821 1.00 0.00 H new ATOM 0 HB3 CYS B 37 -15.234 6.908 7.472 1.00 0.00 H new ATOM 1283 N THR B 38 -15.178 4.806 9.441 1.00 0.00 N ATOM 1284 CA THR B 38 -16.263 4.143 10.219 1.00 0.00 C ATOM 1285 C THR B 38 -15.680 3.333 11.383 1.00 0.00 C ATOM 1286 O THR B 38 -16.393 2.634 12.077 1.00 0.00 O ATOM 1287 CB THR B 38 -16.946 3.213 9.220 1.00 0.00 C ATOM 1288 OG1 THR B 38 -17.364 3.965 8.088 1.00 0.00 O ATOM 1289 CG2 THR B 38 -18.161 2.554 9.875 1.00 0.00 C ATOM 0 H THR B 38 -14.801 4.258 8.668 1.00 0.00 H new ATOM 0 HA THR B 38 -16.952 4.866 10.655 1.00 0.00 H new ATOM 0 HB THR B 38 -16.245 2.439 8.907 1.00 0.00 H new ATOM 0 HG1 THR B 38 -17.802 3.370 7.444 1.00 0.00 H new ATOM 0 HG21 THR B 38 -18.646 1.891 9.158 1.00 0.00 H new ATOM 0 HG22 THR B 38 -17.839 1.978 10.742 1.00 0.00 H new ATOM 0 HG23 THR B 38 -18.865 3.323 10.192 1.00 0.00 H new ATOM 1297 N ALA B 39 -14.395 3.412 11.604 1.00 0.00 N ATOM 1298 CA ALA B 39 -13.783 2.636 12.723 1.00 0.00 C ATOM 1299 C ALA B 39 -14.137 1.154 12.584 1.00 0.00 C ATOM 1300 O ALA B 39 -14.111 0.405 13.541 1.00 0.00 O ATOM 1301 CB ALA B 39 -14.396 3.218 13.998 1.00 0.00 C ATOM 0 H ALA B 39 -13.744 3.978 11.060 1.00 0.00 H new ATOM 0 HA ALA B 39 -12.695 2.707 12.730 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -13.993 2.696 14.866 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -14.154 4.278 14.067 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -15.479 3.094 13.970 1.00 0.00 H new ATOM 1307 N ARG B 40 -14.464 0.726 11.394 1.00 0.00 N ATOM 1308 CA ARG B 40 -14.820 -0.709 11.175 1.00 0.00 C ATOM 1309 C ARG B 40 -13.798 -1.640 11.847 1.00 0.00 C ATOM 1310 O ARG B 40 -14.169 -2.515 12.604 1.00 0.00 O ATOM 1311 CB ARG B 40 -14.796 -0.896 9.657 1.00 0.00 C ATOM 1312 CG ARG B 40 -16.138 -1.460 9.191 1.00 0.00 C ATOM 1313 CD ARG B 40 -16.228 -2.942 9.564 1.00 0.00 C ATOM 1314 NE ARG B 40 -15.471 -3.654 8.497 1.00 0.00 N ATOM 1315 CZ ARG B 40 -14.793 -4.730 8.786 1.00 0.00 C ATOM 1316 NH1 ARG B 40 -13.552 -4.639 9.173 1.00 0.00 N ATOM 1317 NH2 ARG B 40 -15.359 -5.903 8.688 1.00 0.00 N ATOM 0 H ARG B 40 -14.500 1.311 10.559 1.00 0.00 H new ATOM 0 HA ARG B 40 -15.790 -0.954 11.607 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -14.600 0.057 9.166 1.00 0.00 H new ATOM 0 HB3 ARG B 40 -13.988 -1.572 9.376 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -16.956 -0.908 9.653 1.00 0.00 H new ATOM 0 HG3 ARG B 40 -16.240 -1.339 8.113 1.00 0.00 H new ATOM 0 HD2 ARG B 40 -15.795 -3.129 10.547 1.00 0.00 H new ATOM 0 HD3 ARG B 40 -17.265 -3.277 9.603 1.00 0.00 H new ATOM 0 HE ARG B 40 -15.483 -3.300 7.540 1.00 0.00 H new ATOM 0 HH11 ARG B 40 -13.108 -3.724 9.251 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -13.025 -5.483 9.398 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -16.330 -5.977 8.386 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -14.830 -6.745 8.914 1.00 0.00 H new ATOM 1331 N PRO B 41 -12.540 -1.429 11.543 1.00 0.00 N ATOM 1332 CA PRO B 41 -11.473 -2.275 12.128 1.00 0.00 C ATOM 1333 C PRO B 41 -11.246 -1.927 13.601 1.00 0.00 C ATOM 1334 O PRO B 41 -10.522 -1.007 13.927 1.00 0.00 O ATOM 1335 CB PRO B 41 -10.242 -1.935 11.289 1.00 0.00 C ATOM 1336 CG PRO B 41 -10.504 -0.566 10.747 1.00 0.00 C ATOM 1337 CD PRO B 41 -12.000 -0.401 10.645 1.00 0.00 C ATOM 0 HA PRO B 41 -11.717 -3.337 12.109 1.00 0.00 H new ATOM 0 HB2 PRO B 41 -9.336 -1.952 11.894 1.00 0.00 H new ATOM 0 HB3 PRO B 41 -10.102 -2.657 10.485 1.00 0.00 H new ATOM 0 HG2 PRO B 41 -10.078 0.194 11.401 1.00 0.00 H new ATOM 0 HG3 PRO B 41 -10.037 -0.444 9.770 1.00 0.00 H new ATOM 0 HD2 PRO B 41 -12.312 0.598 10.951 1.00 0.00 H new ATOM 0 HD3 PRO B 41 -12.347 -0.544 9.622 1.00 0.00 H new ATOM 1345 N GLU B 42 -11.850 -2.663 14.496 1.00 0.00 N ATOM 1346 CA GLU B 42 -11.660 -2.382 15.950 1.00 0.00 C ATOM 1347 C GLU B 42 -10.163 -2.321 16.270 1.00 0.00 C ATOM 1348 O GLU B 42 -9.693 -1.420 16.937 1.00 0.00 O ATOM 1349 CB GLU B 42 -12.323 -3.564 16.667 1.00 0.00 C ATOM 1350 CG GLU B 42 -11.964 -3.539 18.157 1.00 0.00 C ATOM 1351 CD GLU B 42 -12.946 -4.415 18.936 1.00 0.00 C ATOM 1352 OE1 GLU B 42 -14.070 -4.558 18.485 1.00 0.00 O ATOM 1353 OE2 GLU B 42 -12.556 -4.928 19.974 1.00 0.00 O ATOM 0 H GLU B 42 -12.467 -3.447 14.283 1.00 0.00 H new ATOM 0 HA GLU B 42 -12.092 -1.430 16.258 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -13.405 -3.515 16.544 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -11.994 -4.502 16.220 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -10.946 -3.899 18.302 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -11.997 -2.516 18.532 1.00 0.00 H new ATOM 1360 N ARG B 43 -9.413 -3.271 15.789 1.00 0.00 N ATOM 1361 CA ARG B 43 -7.947 -3.272 16.051 1.00 0.00 C ATOM 1362 C ARG B 43 -7.199 -2.950 14.754 1.00 0.00 C ATOM 1363 O ARG B 43 -6.903 -3.837 13.977 1.00 0.00 O ATOM 1364 CB ARG B 43 -7.626 -4.690 16.522 1.00 0.00 C ATOM 1365 CG ARG B 43 -6.266 -4.703 17.220 1.00 0.00 C ATOM 1366 CD ARG B 43 -6.469 -4.783 18.736 1.00 0.00 C ATOM 1367 NE ARG B 43 -6.079 -6.174 19.103 1.00 0.00 N ATOM 1368 CZ ARG B 43 -6.436 -6.668 20.256 1.00 0.00 C ATOM 1369 NH1 ARG B 43 -5.722 -6.422 21.322 1.00 0.00 N ATOM 1370 NH2 ARG B 43 -7.505 -7.410 20.345 1.00 0.00 N ATOM 0 H ARG B 43 -9.752 -4.049 15.224 1.00 0.00 H new ATOM 0 HA ARG B 43 -7.651 -2.529 16.792 1.00 0.00 H new ATOM 0 HB2 ARG B 43 -8.400 -5.041 17.205 1.00 0.00 H new ATOM 0 HB3 ARG B 43 -7.617 -5.373 15.672 1.00 0.00 H new ATOM 0 HG2 ARG B 43 -5.677 -5.553 16.876 1.00 0.00 H new ATOM 0 HG3 ARG B 43 -5.706 -3.803 16.965 1.00 0.00 H new ATOM 0 HD2 ARG B 43 -5.853 -4.050 19.256 1.00 0.00 H new ATOM 0 HD3 ARG B 43 -7.505 -4.579 19.007 1.00 0.00 H new ATOM 0 HE ARG B 43 -5.533 -6.739 18.453 1.00 0.00 H new ATOM 0 HH11 ARG B 43 -4.885 -5.843 21.253 1.00 0.00 H new ATOM 0 HH12 ARG B 43 -6.002 -6.809 22.224 1.00 0.00 H new ATOM 0 HH21 ARG B 43 -8.062 -7.604 19.513 1.00 0.00 H new ATOM 0 HH22 ARG B 43 -7.784 -7.796 21.247 1.00 0.00 H new ATOM 1384 N PRO B 44 -6.924 -1.684 14.554 1.00 0.00 N ATOM 1385 CA PRO B 44 -6.212 -1.252 13.328 1.00 0.00 C ATOM 1386 C PRO B 44 -4.761 -1.742 13.355 1.00 0.00 C ATOM 1387 O PRO B 44 -4.114 -1.859 12.335 1.00 0.00 O ATOM 1388 CB PRO B 44 -6.287 0.271 13.386 1.00 0.00 C ATOM 1389 CG PRO B 44 -6.460 0.591 14.835 1.00 0.00 C ATOM 1390 CD PRO B 44 -7.236 -0.550 15.436 1.00 0.00 C ATOM 0 HA PRO B 44 -6.645 -1.653 12.412 1.00 0.00 H new ATOM 0 HB2 PRO B 44 -5.381 0.727 12.986 1.00 0.00 H new ATOM 0 HB3 PRO B 44 -7.122 0.649 12.795 1.00 0.00 H new ATOM 0 HG2 PRO B 44 -5.493 0.703 15.325 1.00 0.00 H new ATOM 0 HG3 PRO B 44 -6.994 1.533 14.963 1.00 0.00 H new ATOM 0 HD2 PRO B 44 -6.930 -0.746 16.464 1.00 0.00 H new ATOM 0 HD3 PRO B 44 -8.305 -0.341 15.456 1.00 0.00 H new ATOM 1398 N MET B 45 -4.250 -2.035 14.521 1.00 0.00 N ATOM 1399 CA MET B 45 -2.846 -2.525 14.623 1.00 0.00 C ATOM 1400 C MET B 45 -2.633 -3.712 13.677 1.00 0.00 C ATOM 1401 O MET B 45 -1.797 -3.676 12.796 1.00 0.00 O ATOM 1402 CB MET B 45 -2.692 -2.962 16.079 1.00 0.00 C ATOM 1403 CG MET B 45 -1.217 -2.908 16.478 1.00 0.00 C ATOM 1404 SD MET B 45 -1.079 -2.959 18.282 1.00 0.00 S ATOM 1405 CE MET B 45 0.085 -1.585 18.460 1.00 0.00 C ATOM 0 H MET B 45 -4.746 -1.956 15.409 1.00 0.00 H new ATOM 0 HA MET B 45 -2.116 -1.765 14.345 1.00 0.00 H new ATOM 0 HB2 MET B 45 -3.279 -2.312 16.728 1.00 0.00 H new ATOM 0 HB3 MET B 45 -3.077 -3.973 16.208 1.00 0.00 H new ATOM 0 HG2 MET B 45 -0.679 -3.747 16.037 1.00 0.00 H new ATOM 0 HG3 MET B 45 -0.758 -1.997 16.093 1.00 0.00 H new ATOM 0 HE1 MET B 45 0.314 -1.437 19.515 1.00 0.00 H new ATOM 0 HE2 MET B 45 1.003 -1.813 17.918 1.00 0.00 H new ATOM 0 HE3 MET B 45 -0.360 -0.676 18.054 1.00 0.00 H new ATOM 1415 N ALA B 46 -3.387 -4.764 13.854 1.00 0.00 N ATOM 1416 CA ALA B 46 -3.234 -5.952 12.966 1.00 0.00 C ATOM 1417 C ALA B 46 -4.072 -5.777 11.696 1.00 0.00 C ATOM 1418 O ALA B 46 -3.837 -6.417 10.689 1.00 0.00 O ATOM 1419 CB ALA B 46 -3.751 -7.132 13.792 1.00 0.00 C ATOM 0 H ALA B 46 -4.103 -4.852 14.576 1.00 0.00 H new ATOM 0 HA ALA B 46 -2.202 -6.098 12.646 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -3.672 -8.048 13.207 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -3.156 -7.229 14.700 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -4.794 -6.960 14.058 1.00 0.00 H new ATOM 1425 N PHE B 47 -5.052 -4.914 11.734 1.00 0.00 N ATOM 1426 CA PHE B 47 -5.909 -4.697 10.531 1.00 0.00 C ATOM 1427 C PHE B 47 -5.040 -4.431 9.298 1.00 0.00 C ATOM 1428 O PHE B 47 -5.354 -4.856 8.206 1.00 0.00 O ATOM 1429 CB PHE B 47 -6.747 -3.465 10.864 1.00 0.00 C ATOM 1430 CG PHE B 47 -7.753 -3.226 9.765 1.00 0.00 C ATOM 1431 CD1 PHE B 47 -8.609 -4.271 9.345 1.00 0.00 C ATOM 1432 CD2 PHE B 47 -7.838 -1.956 9.152 1.00 0.00 C ATOM 1433 CE1 PHE B 47 -9.550 -4.042 8.316 1.00 0.00 C ATOM 1434 CE2 PHE B 47 -8.779 -1.729 8.122 1.00 0.00 C ATOM 1435 CZ PHE B 47 -9.633 -2.773 7.705 1.00 0.00 C ATOM 0 H PHE B 47 -5.297 -4.349 12.547 1.00 0.00 H new ATOM 0 HA PHE B 47 -6.526 -5.566 10.303 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -7.259 -3.607 11.815 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -6.102 -2.593 10.977 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -8.543 -5.243 9.811 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -7.184 -1.158 9.471 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -10.206 -4.839 7.997 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -8.845 -0.758 7.654 1.00 0.00 H new ATOM 0 HZ PHE B 47 -10.351 -2.600 6.917 1.00 0.00 H new ATOM 1445 N LEU B 48 -3.952 -3.725 9.461 1.00 0.00 N ATOM 1446 CA LEU B 48 -3.071 -3.432 8.293 1.00 0.00 C ATOM 1447 C LEU B 48 -2.737 -4.725 7.541 1.00 0.00 C ATOM 1448 O LEU B 48 -2.819 -4.789 6.329 1.00 0.00 O ATOM 1449 CB LEU B 48 -1.805 -2.817 8.890 1.00 0.00 C ATOM 1450 CG LEU B 48 -1.145 -1.906 7.854 1.00 0.00 C ATOM 1451 CD1 LEU B 48 -1.917 -0.588 7.767 1.00 0.00 C ATOM 1452 CD2 LEU B 48 0.300 -1.622 8.274 1.00 0.00 C ATOM 0 H LEU B 48 -3.636 -3.339 10.351 1.00 0.00 H new ATOM 0 HA LEU B 48 -3.549 -2.763 7.577 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -2.052 -2.248 9.786 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.113 -3.603 9.192 1.00 0.00 H new ATOM 0 HG LEU B 48 -1.153 -2.397 6.881 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -1.446 0.061 7.029 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -2.947 -0.788 7.470 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -1.909 -0.097 8.740 1.00 0.00 H new ATOM 0 HD21 LEU B 48 0.772 -0.973 7.537 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.306 -1.131 9.247 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.851 -2.560 8.338 1.00 0.00 H new ATOM 1464 N ARG B 49 -2.365 -5.755 8.251 1.00 0.00 N ATOM 1465 CA ARG B 49 -2.031 -7.042 7.577 1.00 0.00 C ATOM 1466 C ARG B 49 -3.251 -7.572 6.825 1.00 0.00 C ATOM 1467 O ARG B 49 -3.197 -7.834 5.640 1.00 0.00 O ATOM 1468 CB ARG B 49 -1.642 -7.995 8.709 1.00 0.00 C ATOM 1469 CG ARG B 49 -1.283 -9.362 8.124 1.00 0.00 C ATOM 1470 CD ARG B 49 -1.365 -10.427 9.220 1.00 0.00 C ATOM 1471 NE ARG B 49 -1.659 -11.696 8.499 1.00 0.00 N ATOM 1472 CZ ARG B 49 -1.002 -12.783 8.799 1.00 0.00 C ATOM 1473 NH1 ARG B 49 -0.598 -12.987 10.023 1.00 0.00 N ATOM 1474 NH2 ARG B 49 -0.749 -13.667 7.873 1.00 0.00 N ATOM 0 H ARG B 49 -2.278 -5.761 9.267 1.00 0.00 H new ATOM 0 HA ARG B 49 -1.229 -6.931 6.847 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -0.795 -7.591 9.264 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -2.467 -8.095 9.414 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -1.964 -9.610 7.310 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -0.278 -9.336 7.703 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -0.429 -10.496 9.775 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -2.147 -10.192 9.942 1.00 0.00 H new ATOM 0 HE ARG B 49 -2.373 -11.716 7.771 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -0.796 -12.296 10.747 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -0.085 -13.837 10.256 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -1.065 -13.508 6.916 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -0.236 -14.517 8.106 1.00 0.00 H new ATOM 1488 N GLU B 50 -4.355 -7.730 7.501 1.00 0.00 N ATOM 1489 CA GLU B 50 -5.579 -8.242 6.821 1.00 0.00 C ATOM 1490 C GLU B 50 -6.216 -7.144 5.955 1.00 0.00 C ATOM 1491 O GLU B 50 -7.205 -7.370 5.288 1.00 0.00 O ATOM 1492 CB GLU B 50 -6.523 -8.644 7.954 1.00 0.00 C ATOM 1493 CG GLU B 50 -7.645 -9.522 7.398 1.00 0.00 C ATOM 1494 CD GLU B 50 -7.908 -10.685 8.354 1.00 0.00 C ATOM 1495 OE1 GLU B 50 -7.769 -10.487 9.550 1.00 0.00 O ATOM 1496 OE2 GLU B 50 -8.247 -11.756 7.876 1.00 0.00 O ATOM 0 H GLU B 50 -4.463 -7.527 8.495 1.00 0.00 H new ATOM 0 HA GLU B 50 -5.357 -9.076 6.156 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -5.973 -9.184 8.725 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -6.942 -7.755 8.425 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -8.552 -8.932 7.269 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -7.369 -9.902 6.414 1.00 0.00 H new ATOM 1503 N TYR B 51 -5.661 -5.960 5.958 1.00 0.00 N ATOM 1504 CA TYR B 51 -6.246 -4.863 5.136 1.00 0.00 C ATOM 1505 C TYR B 51 -5.810 -5.004 3.672 1.00 0.00 C ATOM 1506 O TYR B 51 -6.592 -5.362 2.814 1.00 0.00 O ATOM 1507 CB TYR B 51 -5.689 -3.571 5.749 1.00 0.00 C ATOM 1508 CG TYR B 51 -6.033 -2.391 4.868 1.00 0.00 C ATOM 1509 CD1 TYR B 51 -7.325 -1.818 4.923 1.00 0.00 C ATOM 1510 CD2 TYR B 51 -5.066 -1.862 3.986 1.00 0.00 C ATOM 1511 CE1 TYR B 51 -7.645 -0.718 4.098 1.00 0.00 C ATOM 1512 CE2 TYR B 51 -5.385 -0.762 3.161 1.00 0.00 C ATOM 1513 CZ TYR B 51 -6.675 -0.189 3.215 1.00 0.00 C ATOM 1514 OH TYR B 51 -6.988 0.884 2.409 1.00 0.00 O ATOM 0 H TYR B 51 -4.830 -5.707 6.493 1.00 0.00 H new ATOM 0 HA TYR B 51 -7.336 -4.878 5.140 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -6.103 -3.424 6.746 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -4.608 -3.649 5.861 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -8.067 -2.222 5.596 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -4.080 -2.300 3.942 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -8.631 -0.280 4.141 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -4.643 -0.358 2.488 1.00 0.00 H new ATOM 0 HH TYR B 51 -6.178 1.406 2.229 1.00 0.00 H new ATOM 1524 N PHE B 52 -4.570 -4.717 3.380 1.00 0.00 N ATOM 1525 CA PHE B 52 -4.094 -4.825 1.970 1.00 0.00 C ATOM 1526 C PHE B 52 -3.952 -6.293 1.555 1.00 0.00 C ATOM 1527 O PHE B 52 -3.865 -6.607 0.385 1.00 0.00 O ATOM 1528 CB PHE B 52 -2.736 -4.125 1.951 1.00 0.00 C ATOM 1529 CG PHE B 52 -2.642 -3.253 0.723 1.00 0.00 C ATOM 1530 CD1 PHE B 52 -2.269 -3.814 -0.517 1.00 0.00 C ATOM 1531 CD2 PHE B 52 -2.930 -1.872 0.815 1.00 0.00 C ATOM 1532 CE1 PHE B 52 -2.183 -2.998 -1.667 1.00 0.00 C ATOM 1533 CE2 PHE B 52 -2.844 -1.054 -0.334 1.00 0.00 C ATOM 1534 CZ PHE B 52 -2.472 -1.616 -1.575 1.00 0.00 C ATOM 0 H PHE B 52 -3.868 -4.413 4.054 1.00 0.00 H new ATOM 0 HA PHE B 52 -4.796 -4.372 1.269 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.612 -3.521 2.850 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.934 -4.863 1.950 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.049 -4.869 -0.587 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -3.216 -1.442 1.764 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.897 -3.429 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -3.063 0.001 -0.263 1.00 0.00 H new ATOM 0 HZ PHE B 52 -2.408 -0.991 -2.454 1.00 0.00 H new ATOM 1544 N GLU B 53 -3.926 -7.195 2.498 1.00 0.00 N ATOM 1545 CA GLU B 53 -3.788 -8.637 2.140 1.00 0.00 C ATOM 1546 C GLU B 53 -5.051 -9.129 1.428 1.00 0.00 C ATOM 1547 O GLU B 53 -4.986 -9.868 0.466 1.00 0.00 O ATOM 1548 CB GLU B 53 -3.601 -9.362 3.475 1.00 0.00 C ATOM 1549 CG GLU B 53 -3.581 -10.874 3.242 1.00 0.00 C ATOM 1550 CD GLU B 53 -3.019 -11.574 4.480 1.00 0.00 C ATOM 1551 OE1 GLU B 53 -2.115 -11.024 5.088 1.00 0.00 O ATOM 1552 OE2 GLU B 53 -3.500 -12.648 4.800 1.00 0.00 O ATOM 0 H GLU B 53 -3.994 -6.998 3.497 1.00 0.00 H new ATOM 0 HA GLU B 53 -2.954 -8.817 1.461 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -2.670 -9.044 3.945 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -4.409 -9.100 4.158 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -4.589 -11.234 3.034 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -2.972 -11.110 2.370 1.00 0.00 H new ATOM 1559 N LYS B 54 -6.203 -8.724 1.893 1.00 0.00 N ATOM 1560 CA LYS B 54 -7.467 -9.171 1.239 1.00 0.00 C ATOM 1561 C LYS B 54 -7.850 -8.204 0.115 1.00 0.00 C ATOM 1562 O LYS B 54 -8.367 -8.603 -0.909 1.00 0.00 O ATOM 1563 CB LYS B 54 -8.518 -9.143 2.350 1.00 0.00 C ATOM 1564 CG LYS B 54 -8.554 -10.498 3.055 1.00 0.00 C ATOM 1565 CD LYS B 54 -9.589 -10.462 4.182 1.00 0.00 C ATOM 1566 CE LYS B 54 -9.923 -11.890 4.615 1.00 0.00 C ATOM 1567 NZ LYS B 54 -11.001 -11.739 5.633 1.00 0.00 N ATOM 0 H LYS B 54 -6.323 -8.105 2.695 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.373 -10.160 0.790 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -8.284 -8.355 3.066 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -9.498 -8.913 1.932 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -8.805 -11.284 2.342 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -7.570 -10.736 3.459 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -9.201 -9.896 5.028 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -10.492 -9.953 3.845 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -10.259 -12.491 3.770 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -9.050 -12.390 5.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -11.285 -12.677 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -10.650 -11.168 6.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -11.821 -11.266 5.203 1.00 0.00 H new ATOM 1581 N LEU B 55 -7.601 -6.938 0.301 1.00 0.00 N ATOM 1582 CA LEU B 55 -7.950 -5.946 -0.757 1.00 0.00 C ATOM 1583 C LEU B 55 -7.305 -6.340 -2.089 1.00 0.00 C ATOM 1584 O LEU B 55 -7.770 -5.970 -3.149 1.00 0.00 O ATOM 1585 CB LEU B 55 -7.383 -4.615 -0.261 1.00 0.00 C ATOM 1586 CG LEU B 55 -8.531 -3.651 0.041 1.00 0.00 C ATOM 1587 CD1 LEU B 55 -7.987 -2.414 0.755 1.00 0.00 C ATOM 1588 CD2 LEU B 55 -9.199 -3.228 -1.271 1.00 0.00 C ATOM 0 H LEU B 55 -7.171 -6.546 1.139 1.00 0.00 H new ATOM 0 HA LEU B 55 -9.025 -5.892 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU B 55 -6.783 -4.775 0.635 1.00 0.00 H new ATOM 0 HB3 LEU B 55 -6.723 -4.186 -1.014 1.00 0.00 H new ATOM 0 HG LEU B 55 -9.262 -4.147 0.680 1.00 0.00 H new ATOM 0 HD11 LEU B 55 -8.806 -1.728 0.970 1.00 0.00 H new ATOM 0 HD12 LEU B 55 -7.510 -2.713 1.688 1.00 0.00 H new ATOM 0 HD13 LEU B 55 -7.256 -1.918 0.117 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -10.018 -2.541 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU B 55 -8.467 -2.733 -1.909 1.00 0.00 H new ATOM 0 HD23 LEU B 55 -9.589 -4.109 -1.781 1.00 0.00 H new ATOM 1600 N GLU B 56 -6.236 -7.086 -2.043 1.00 0.00 N ATOM 1601 CA GLU B 56 -5.562 -7.499 -3.306 1.00 0.00 C ATOM 1602 C GLU B 56 -6.525 -8.310 -4.178 1.00 0.00 C ATOM 1603 O GLU B 56 -6.475 -8.259 -5.390 1.00 0.00 O ATOM 1604 CB GLU B 56 -4.381 -8.363 -2.864 1.00 0.00 C ATOM 1605 CG GLU B 56 -3.252 -8.246 -3.888 1.00 0.00 C ATOM 1606 CD GLU B 56 -2.631 -6.849 -3.808 1.00 0.00 C ATOM 1607 OE1 GLU B 56 -3.152 -5.954 -4.454 1.00 0.00 O ATOM 1608 OE2 GLU B 56 -1.647 -6.698 -3.104 1.00 0.00 O ATOM 0 H GLU B 56 -5.800 -7.427 -1.186 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.239 -6.644 -3.900 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -4.031 -8.044 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -4.693 -9.403 -2.768 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.493 -9.004 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -3.637 -8.427 -4.892 1.00 0.00 H new ATOM 1615 N LYS B 57 -7.404 -9.057 -3.568 1.00 0.00 N ATOM 1616 CA LYS B 57 -8.373 -9.867 -4.362 1.00 0.00 C ATOM 1617 C LYS B 57 -9.636 -9.053 -4.643 1.00 0.00 C ATOM 1618 O LYS B 57 -10.735 -9.463 -4.323 1.00 0.00 O ATOM 1619 CB LYS B 57 -8.695 -11.073 -3.477 1.00 0.00 C ATOM 1620 CG LYS B 57 -9.162 -12.237 -4.353 1.00 0.00 C ATOM 1621 CD LYS B 57 -9.566 -13.415 -3.464 1.00 0.00 C ATOM 1622 CE LYS B 57 -9.019 -14.714 -4.058 1.00 0.00 C ATOM 1623 NZ LYS B 57 -7.561 -14.695 -3.744 1.00 0.00 N ATOM 0 H LYS B 57 -7.494 -9.142 -2.556 1.00 0.00 H new ATOM 0 HA LYS B 57 -7.969 -10.167 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS B 57 -7.814 -11.364 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS B 57 -9.470 -10.812 -2.756 1.00 0.00 H new ATOM 0 HG2 LYS B 57 -10.006 -11.927 -4.969 1.00 0.00 H new ATOM 0 HG3 LYS B 57 -8.364 -12.537 -5.033 1.00 0.00 H new ATOM 0 HD2 LYS B 57 -9.179 -13.273 -2.455 1.00 0.00 H new ATOM 0 HD3 LYS B 57 -10.652 -13.468 -3.384 1.00 0.00 H new ATOM 0 HE2 LYS B 57 -9.506 -15.585 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS B 57 -9.191 -14.760 -5.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 57 -7.016 -14.859 -4.615 1.00 0.00 H new ATOM 0 HZ2 LYS B 57 -7.304 -13.770 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS B 57 -7.345 -15.443 -3.054 1.00 0.00 H new ATOM 1637 N GLU B 58 -9.490 -7.899 -5.237 1.00 0.00 N ATOM 1638 CA GLU B 58 -10.682 -7.057 -5.538 1.00 0.00 C ATOM 1639 C GLU B 58 -11.673 -7.832 -6.413 1.00 0.00 C ATOM 1640 O GLU B 58 -12.845 -7.523 -6.461 1.00 0.00 O ATOM 1641 CB GLU B 58 -10.132 -5.848 -6.294 1.00 0.00 C ATOM 1642 CG GLU B 58 -9.445 -6.319 -7.578 1.00 0.00 C ATOM 1643 CD GLU B 58 -8.063 -5.676 -7.685 1.00 0.00 C ATOM 1644 OE1 GLU B 58 -7.325 -5.740 -6.716 1.00 0.00 O ATOM 1645 OE2 GLU B 58 -7.764 -5.129 -8.734 1.00 0.00 O ATOM 0 H GLU B 58 -8.596 -7.503 -5.527 1.00 0.00 H new ATOM 0 HA GLU B 58 -11.218 -6.765 -4.635 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.940 -5.157 -6.534 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.424 -5.305 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -9.353 -7.405 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.050 -6.052 -8.445 1.00 0.00 H new