USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 706 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 83 TYR OH : rot -129:sc= 0.449 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 39 TYR OH : rot 180:sc= 0.0138 USER MOD Set 2.2: A 44 ASN : amide:sc= 0.509 K(o=0.52,f=-0.59) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.332 K(o=0.33,f=-0.23) USER MOD Single : A 17 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1.7!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 25 ASN : amide:sc= -0.923! C(o=-0.92!,f=-5.9!) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= -0.0346 (180deg=-0.198) USER MOD Single : A 31 ASN : amide:sc= -0.0747 K(o=-0.075,f=-10!) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.0155 (180deg=-0.254) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0853 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.188 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.92 K(o=-1.9,f=-1.2) USER MOD Single : A 61 LYS NZ :NH3+ -124:sc= 1.28 (180deg=-0.327) USER MOD Single : A 75 THR OG1 : rot 31:sc= 0.493 USER MOD Single : A 76 LYS NZ :NH3+ -168:sc= -0.019 (180deg=-0.191) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 145:sc= 1.29 (180deg=0.85) USER MOD Single : A 102 LYS NZ :NH3+ 151:sc= 1.22 (180deg=0.0348) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 9.664 -2.000 -13.184 1.00 31.30 N ATOM 136 CA GLY A 9 10.009 -1.793 -11.790 1.00 24.23 C ATOM 137 C GLY A 9 10.480 -0.373 -11.555 1.00 71.11 C ATOM 138 O GLY A 9 11.592 -0.152 -11.070 1.00 64.23 O ATOM 0 HA2 GLY A 9 9.143 -2.002 -11.162 1.00 24.23 H new ATOM 0 HA3 GLY A 9 10.791 -2.493 -11.497 1.00 24.23 H new ATOM 142 N GLU A 10 9.636 0.586 -11.933 1.00 65.33 N ATOM 143 CA GLU A 10 9.975 2.004 -11.846 1.00 3.32 C ATOM 144 C GLU A 10 10.387 2.355 -10.422 1.00 65.21 C ATOM 145 O GLU A 10 11.536 2.721 -10.162 1.00 43.51 O ATOM 146 CB GLU A 10 8.773 2.861 -12.276 1.00 72.23 C ATOM 147 CG GLU A 10 9.037 4.364 -12.252 1.00 50.24 C ATOM 148 CD GLU A 10 10.034 4.811 -13.310 1.00 54.35 C ATOM 149 OE1 GLU A 10 11.258 4.697 -13.079 1.00 5.11 O ATOM 150 OE2 GLU A 10 9.595 5.284 -14.378 1.00 12.44 O ATOM 0 H GLU A 10 8.704 0.403 -12.306 1.00 65.33 H new ATOM 0 HA GLU A 10 10.810 2.210 -12.515 1.00 3.32 H new ATOM 0 HB2 GLU A 10 8.476 2.571 -13.284 1.00 72.23 H new ATOM 0 HB3 GLU A 10 7.931 2.641 -11.620 1.00 72.23 H new ATOM 0 HG2 GLU A 10 8.096 4.895 -12.400 1.00 50.24 H new ATOM 0 HG3 GLU A 10 9.410 4.646 -11.267 1.00 50.24 H new ATOM 157 N ILE A 11 9.436 2.226 -9.503 1.00 74.41 N ATOM 158 CA ILE A 11 9.701 2.403 -8.084 1.00 61.32 C ATOM 159 C ILE A 11 9.431 1.083 -7.370 1.00 55.43 C ATOM 160 O ILE A 11 8.323 0.821 -6.890 1.00 35.32 O ATOM 161 CB ILE A 11 8.845 3.546 -7.473 1.00 3.00 C ATOM 162 CG1 ILE A 11 9.081 4.856 -8.251 1.00 74.33 C ATOM 163 CG2 ILE A 11 9.173 3.730 -5.989 1.00 2.10 C ATOM 164 CD1 ILE A 11 8.285 6.038 -7.734 1.00 60.31 C ATOM 0 H ILE A 11 8.466 1.997 -9.721 1.00 74.41 H new ATOM 0 HA ILE A 11 10.744 2.691 -7.953 1.00 61.32 H new ATOM 0 HB ILE A 11 7.792 3.278 -7.555 1.00 3.00 H new ATOM 0 HG12 ILE A 11 10.142 5.102 -8.212 1.00 74.33 H new ATOM 0 HG13 ILE A 11 8.829 4.693 -9.299 1.00 74.33 H new ATOM 0 HG21 ILE A 11 8.563 4.535 -5.579 1.00 2.10 H new ATOM 0 HG22 ILE A 11 8.962 2.805 -5.452 1.00 2.10 H new ATOM 0 HG23 ILE A 11 10.228 3.981 -5.878 1.00 2.10 H new ATOM 0 HD11 ILE A 11 8.509 6.919 -8.336 1.00 60.31 H new ATOM 0 HD12 ILE A 11 7.220 5.816 -7.799 1.00 60.31 H new ATOM 0 HD13 ILE A 11 8.553 6.231 -6.695 1.00 60.31 H new ATOM 176 N MET A 12 10.447 0.235 -7.377 1.00 2.33 N ATOM 177 CA MET A 12 10.377 -1.094 -6.782 1.00 34.22 C ATOM 178 C MET A 12 10.554 -1.012 -5.270 1.00 30.32 C ATOM 179 O MET A 12 11.469 -0.348 -4.780 1.00 4.54 O ATOM 180 CB MET A 12 11.455 -2.006 -7.392 1.00 44.21 C ATOM 181 CG MET A 12 12.872 -1.446 -7.274 1.00 13.15 C ATOM 182 SD MET A 12 13.109 0.057 -8.252 1.00 55.30 S ATOM 183 CE MET A 12 14.711 0.612 -7.674 1.00 64.31 C ATOM 0 H MET A 12 11.351 0.449 -7.798 1.00 2.33 H new ATOM 0 HA MET A 12 9.395 -1.517 -6.994 1.00 34.22 H new ATOM 0 HB2 MET A 12 11.416 -2.978 -6.901 1.00 44.21 H new ATOM 0 HB3 MET A 12 11.226 -2.171 -8.445 1.00 44.21 H new ATOM 0 HG2 MET A 12 13.088 -1.232 -6.227 1.00 13.15 H new ATOM 0 HG3 MET A 12 13.586 -2.203 -7.599 1.00 13.15 H new ATOM 0 HE1 MET A 12 14.986 1.531 -8.191 1.00 64.31 H new ATOM 0 HE2 MET A 12 14.666 0.799 -6.601 1.00 64.31 H new ATOM 0 HE3 MET A 12 15.457 -0.156 -7.877 1.00 64.31 H new ATOM 193 N ILE A 13 9.673 -1.680 -4.539 1.00 3.22 N ATOM 194 CA ILE A 13 9.720 -1.693 -3.080 1.00 73.24 C ATOM 195 C ILE A 13 9.962 -3.119 -2.592 1.00 63.10 C ATOM 196 O ILE A 13 9.044 -3.940 -2.574 1.00 53.51 O ATOM 197 CB ILE A 13 8.402 -1.155 -2.459 1.00 51.13 C ATOM 198 CG1 ILE A 13 7.927 0.118 -3.186 1.00 65.35 C ATOM 199 CG2 ILE A 13 8.577 -0.888 -0.961 1.00 51.02 C ATOM 200 CD1 ILE A 13 8.900 1.274 -3.123 1.00 4.34 C ATOM 0 H ILE A 13 8.908 -2.226 -4.936 1.00 3.22 H new ATOM 0 HA ILE A 13 10.534 -1.041 -2.764 1.00 73.24 H new ATOM 0 HB ILE A 13 7.636 -1.920 -2.584 1.00 51.13 H new ATOM 0 HG12 ILE A 13 7.738 -0.125 -4.232 1.00 65.35 H new ATOM 0 HG13 ILE A 13 6.977 0.435 -2.755 1.00 65.35 H new ATOM 0 HG21 ILE A 13 7.642 -0.512 -0.547 1.00 51.02 H new ATOM 0 HG22 ILE A 13 8.851 -1.814 -0.456 1.00 51.02 H new ATOM 0 HG23 ILE A 13 9.363 -0.148 -0.813 1.00 51.02 H new ATOM 0 HD11 ILE A 13 8.486 2.128 -3.660 1.00 4.34 H new ATOM 0 HD12 ILE A 13 9.072 1.548 -2.082 1.00 4.34 H new ATOM 0 HD13 ILE A 13 9.844 0.980 -3.582 1.00 4.34 H new ATOM 212 N LEU A 14 11.205 -3.422 -2.235 1.00 11.20 N ATOM 213 CA LEU A 14 11.571 -4.763 -1.783 1.00 74.33 C ATOM 214 C LEU A 14 11.557 -4.824 -0.261 1.00 50.13 C ATOM 215 O LEU A 14 12.389 -4.198 0.403 1.00 52.44 O ATOM 216 CB LEU A 14 12.958 -5.168 -2.323 1.00 4.01 C ATOM 217 CG LEU A 14 13.013 -5.556 -3.816 1.00 13.42 C ATOM 218 CD1 LEU A 14 12.620 -4.381 -4.708 1.00 13.11 C ATOM 219 CD2 LEU A 14 14.403 -6.073 -4.189 1.00 52.31 C ATOM 0 H LEU A 14 11.979 -2.757 -2.249 1.00 11.20 H new ATOM 0 HA LEU A 14 10.837 -5.468 -2.173 1.00 74.33 H new ATOM 0 HB2 LEU A 14 13.647 -4.340 -2.157 1.00 4.01 H new ATOM 0 HB3 LEU A 14 13.324 -6.010 -1.735 1.00 4.01 H new ATOM 0 HG LEU A 14 12.291 -6.356 -3.979 1.00 13.42 H new ATOM 0 HD11 LEU A 14 12.669 -4.686 -5.753 1.00 13.11 H new ATOM 0 HD12 LEU A 14 11.604 -4.066 -4.469 1.00 13.11 H new ATOM 0 HD13 LEU A 14 13.306 -3.551 -4.540 1.00 13.11 H new ATOM 0 HD21 LEU A 14 14.420 -6.341 -5.245 1.00 52.31 H new ATOM 0 HD22 LEU A 14 15.143 -5.296 -4.000 1.00 52.31 H new ATOM 0 HD23 LEU A 14 14.638 -6.952 -3.588 1.00 52.31 H new ATOM 231 N ILE A 15 10.604 -5.567 0.291 1.00 21.11 N ATOM 232 CA ILE A 15 10.466 -5.688 1.734 1.00 3.01 C ATOM 233 C ILE A 15 9.865 -7.045 2.107 1.00 54.44 C ATOM 234 O ILE A 15 8.950 -7.531 1.439 1.00 51.33 O ATOM 235 CB ILE A 15 9.597 -4.537 2.312 1.00 23.10 C ATOM 236 CG1 ILE A 15 9.515 -4.633 3.846 1.00 51.32 C ATOM 237 CG2 ILE A 15 8.200 -4.546 1.687 1.00 22.30 C ATOM 238 CD1 ILE A 15 8.735 -3.508 4.492 1.00 51.51 C ATOM 0 H ILE A 15 9.914 -6.096 -0.243 1.00 21.11 H new ATOM 0 HA ILE A 15 11.462 -5.615 2.171 1.00 3.01 H new ATOM 0 HB ILE A 15 10.073 -3.590 2.059 1.00 23.10 H new ATOM 0 HG12 ILE A 15 9.054 -5.583 4.116 1.00 51.32 H new ATOM 0 HG13 ILE A 15 10.526 -4.642 4.254 1.00 51.32 H new ATOM 0 HG21 ILE A 15 7.609 -3.732 2.106 1.00 22.30 H new ATOM 0 HG22 ILE A 15 8.283 -4.416 0.608 1.00 22.30 H new ATOM 0 HG23 ILE A 15 7.712 -5.497 1.901 1.00 22.30 H new ATOM 0 HD11 ILE A 15 8.723 -3.647 5.573 1.00 51.51 H new ATOM 0 HD12 ILE A 15 9.207 -2.555 4.254 1.00 51.51 H new ATOM 0 HD13 ILE A 15 7.712 -3.511 4.115 1.00 51.51 H new ATOM 250 N GLN A 16 10.419 -7.660 3.155 1.00 62.41 N ATOM 251 CA GLN A 16 9.933 -8.941 3.676 1.00 45.05 C ATOM 252 C GLN A 16 9.876 -10.007 2.578 1.00 3.43 C ATOM 253 O GLN A 16 8.877 -10.722 2.438 1.00 54.12 O ATOM 254 CB GLN A 16 8.552 -8.778 4.340 1.00 52.42 C ATOM 255 CG GLN A 16 8.550 -7.873 5.571 1.00 5.45 C ATOM 256 CD GLN A 16 9.518 -8.325 6.652 1.00 70.25 C ATOM 257 OE1 GLN A 16 10.683 -7.924 6.665 1.00 73.50 O ATOM 258 NE2 GLN A 16 9.054 -9.169 7.561 1.00 71.01 N ATOM 0 H GLN A 16 11.217 -7.284 3.667 1.00 62.41 H new ATOM 0 HA GLN A 16 10.643 -9.275 4.433 1.00 45.05 H new ATOM 0 HB2 GLN A 16 7.854 -8.375 3.606 1.00 52.42 H new ATOM 0 HB3 GLN A 16 8.181 -9.762 4.626 1.00 52.42 H new ATOM 0 HG2 GLN A 16 8.804 -6.858 5.267 1.00 5.45 H new ATOM 0 HG3 GLN A 16 7.543 -7.839 5.986 1.00 5.45 H new ATOM 0 HE21 GLN A 16 8.084 -9.480 7.520 1.00 71.01 H new ATOM 0 HE22 GLN A 16 9.667 -9.508 8.302 1.00 71.01 H new ATOM 267 N ASN A 17 10.960 -10.101 1.801 1.00 44.30 N ATOM 268 CA ASN A 17 11.110 -11.147 0.784 1.00 44.10 C ATOM 269 C ASN A 17 10.038 -11.038 -0.304 1.00 25.12 C ATOM 270 O ASN A 17 9.674 -12.034 -0.934 1.00 2.42 O ATOM 271 CB ASN A 17 11.075 -12.542 1.434 1.00 62.41 C ATOM 272 CG ASN A 17 12.312 -12.847 2.268 1.00 1.31 C ATOM 273 OD1 ASN A 17 12.985 -11.945 2.773 1.00 21.54 O ATOM 274 ND2 ASN A 17 12.612 -14.125 2.429 1.00 62.41 N ATOM 0 H ASN A 17 11.752 -9.460 1.858 1.00 44.30 H new ATOM 0 HA ASN A 17 12.080 -11.004 0.308 1.00 44.10 H new ATOM 0 HB2 ASN A 17 10.191 -12.619 2.066 1.00 62.41 H new ATOM 0 HB3 ASN A 17 10.976 -13.297 0.654 1.00 62.41 H new ATOM 0 HD21 ASN A 17 13.423 -14.392 2.986 1.00 62.41 H new ATOM 0 HD22 ASN A 17 12.032 -14.844 1.996 1.00 62.41 H new ATOM 281 N ALA A 18 9.556 -9.821 -0.546 1.00 52.43 N ATOM 282 CA ALA A 18 8.565 -9.581 -1.592 1.00 15.24 C ATOM 283 C ALA A 18 8.912 -8.328 -2.397 1.00 22.03 C ATOM 284 O ALA A 18 9.282 -7.298 -1.825 1.00 64.32 O ATOM 285 CB ALA A 18 7.176 -9.459 -0.978 1.00 11.25 C ATOM 0 H ALA A 18 9.836 -8.986 -0.032 1.00 52.43 H new ATOM 0 HA ALA A 18 8.572 -10.430 -2.276 1.00 15.24 H new ATOM 0 HB1 ALA A 18 6.444 -9.280 -1.766 1.00 11.25 H new ATOM 0 HB2 ALA A 18 6.927 -10.382 -0.455 1.00 11.25 H new ATOM 0 HB3 ALA A 18 7.161 -8.627 -0.274 1.00 11.25 H new ATOM 291 N GLU A 19 8.808 -8.431 -3.723 1.00 24.40 N ATOM 292 CA GLU A 19 9.060 -7.306 -4.621 1.00 14.23 C ATOM 293 C GLU A 19 7.735 -6.625 -4.974 1.00 4.53 C ATOM 294 O GLU A 19 6.847 -7.247 -5.567 1.00 45.53 O ATOM 295 CB GLU A 19 9.775 -7.804 -5.897 1.00 32.34 C ATOM 296 CG GLU A 19 10.348 -6.699 -6.784 1.00 35.31 C ATOM 297 CD GLU A 19 11.072 -7.245 -8.016 1.00 14.13 C ATOM 298 OE1 GLU A 19 12.031 -8.028 -7.849 1.00 1.13 O ATOM 299 OE2 GLU A 19 10.691 -6.890 -9.156 1.00 24.22 O ATOM 0 H GLU A 19 8.548 -9.293 -4.202 1.00 24.40 H new ATOM 0 HA GLU A 19 9.705 -6.580 -4.126 1.00 14.23 H new ATOM 0 HB2 GLU A 19 10.585 -8.473 -5.605 1.00 32.34 H new ATOM 0 HB3 GLU A 19 9.071 -8.393 -6.484 1.00 32.34 H new ATOM 0 HG2 GLU A 19 9.540 -6.041 -7.105 1.00 35.31 H new ATOM 0 HG3 GLU A 19 11.040 -6.093 -6.200 1.00 35.31 H new ATOM 306 N PHE A 20 7.593 -5.365 -4.574 1.00 14.21 N ATOM 307 CA PHE A 20 6.388 -4.582 -4.858 1.00 70.21 C ATOM 308 C PHE A 20 6.679 -3.532 -5.923 1.00 23.30 C ATOM 309 O PHE A 20 7.836 -3.168 -6.150 1.00 42.43 O ATOM 310 CB PHE A 20 5.892 -3.859 -3.594 1.00 51.53 C ATOM 311 CG PHE A 20 5.422 -4.757 -2.474 1.00 71.12 C ATOM 312 CD1 PHE A 20 6.331 -5.457 -1.693 1.00 41.13 C ATOM 313 CD2 PHE A 20 4.067 -4.883 -2.190 1.00 44.43 C ATOM 314 CE1 PHE A 20 5.899 -6.265 -0.658 1.00 52.31 C ATOM 315 CE2 PHE A 20 3.633 -5.688 -1.155 1.00 63.31 C ATOM 316 CZ PHE A 20 4.551 -6.379 -0.389 1.00 32.22 C ATOM 0 H PHE A 20 8.304 -4.858 -4.047 1.00 14.21 H new ATOM 0 HA PHE A 20 5.622 -5.274 -5.209 1.00 70.21 H new ATOM 0 HB2 PHE A 20 6.698 -3.229 -3.217 1.00 51.53 H new ATOM 0 HB3 PHE A 20 5.073 -3.196 -3.873 1.00 51.53 H new ATOM 0 HD1 PHE A 20 7.388 -5.369 -1.896 1.00 41.13 H new ATOM 0 HD2 PHE A 20 3.345 -4.345 -2.786 1.00 44.43 H new ATOM 0 HE1 PHE A 20 6.617 -6.807 -0.060 1.00 52.31 H new ATOM 0 HE2 PHE A 20 2.577 -5.777 -0.945 1.00 63.31 H new ATOM 0 HZ PHE A 20 4.213 -7.009 0.421 1.00 32.22 H new ATOM 326 N GLU A 21 5.624 -3.036 -6.559 1.00 53.30 N ATOM 327 CA GLU A 21 5.734 -1.910 -7.480 1.00 33.43 C ATOM 328 C GLU A 21 4.779 -0.797 -7.044 1.00 55.41 C ATOM 329 O GLU A 21 3.620 -1.060 -6.704 1.00 30.31 O ATOM 330 CB GLU A 21 5.424 -2.341 -8.928 1.00 34.45 C ATOM 331 CG GLU A 21 3.996 -2.845 -9.138 1.00 25.33 C ATOM 332 CD GLU A 21 3.653 -3.086 -10.604 1.00 4.21 C ATOM 333 OE1 GLU A 21 3.659 -2.113 -11.388 1.00 63.14 O ATOM 334 OE2 GLU A 21 3.363 -4.247 -10.978 1.00 1.11 O ATOM 0 H GLU A 21 4.677 -3.399 -6.453 1.00 53.30 H new ATOM 0 HA GLU A 21 6.759 -1.541 -7.454 1.00 33.43 H new ATOM 0 HB2 GLU A 21 5.601 -1.496 -9.593 1.00 34.45 H new ATOM 0 HB3 GLU A 21 6.121 -3.127 -9.219 1.00 34.45 H new ATOM 0 HG2 GLU A 21 3.860 -3.773 -8.583 1.00 25.33 H new ATOM 0 HG3 GLU A 21 3.297 -2.119 -8.723 1.00 25.33 H new ATOM 341 N LEU A 22 5.278 0.437 -7.008 1.00 32.22 N ATOM 342 CA LEU A 22 4.437 1.596 -6.717 1.00 65.44 C ATOM 343 C LEU A 22 3.628 1.951 -7.962 1.00 31.42 C ATOM 344 O LEU A 22 4.160 2.518 -8.925 1.00 35.42 O ATOM 345 CB LEU A 22 5.291 2.790 -6.257 1.00 53.25 C ATOM 346 CG LEU A 22 4.514 4.072 -5.912 1.00 13.10 C ATOM 347 CD1 LEU A 22 3.490 3.816 -4.810 1.00 22.22 C ATOM 348 CD2 LEU A 22 5.471 5.190 -5.503 1.00 53.34 C ATOM 0 H LEU A 22 6.259 0.660 -7.176 1.00 32.22 H new ATOM 0 HA LEU A 22 3.754 1.351 -5.904 1.00 65.44 H new ATOM 0 HB2 LEU A 22 5.864 2.487 -5.380 1.00 53.25 H new ATOM 0 HB3 LEU A 22 6.010 3.023 -7.043 1.00 53.25 H new ATOM 0 HG LEU A 22 3.976 4.386 -6.806 1.00 13.10 H new ATOM 0 HD11 LEU A 22 2.956 4.740 -4.587 1.00 22.22 H new ATOM 0 HD12 LEU A 22 2.780 3.058 -5.142 1.00 22.22 H new ATOM 0 HD13 LEU A 22 4.001 3.467 -3.913 1.00 22.22 H new ATOM 0 HD21 LEU A 22 4.901 6.087 -5.263 1.00 53.34 H new ATOM 0 HD22 LEU A 22 6.042 4.878 -4.628 1.00 53.34 H new ATOM 0 HD23 LEU A 22 6.154 5.403 -6.325 1.00 53.34 H new ATOM 360 N VAL A 23 2.349 1.592 -7.950 1.00 4.12 N ATOM 361 CA VAL A 23 1.499 1.740 -9.126 1.00 74.23 C ATOM 362 C VAL A 23 0.809 3.101 -9.150 1.00 32.44 C ATOM 363 O VAL A 23 0.447 3.604 -10.216 1.00 31.12 O ATOM 364 CB VAL A 23 0.444 0.610 -9.198 1.00 34.32 C ATOM 365 CG1 VAL A 23 1.128 -0.750 -9.101 1.00 12.41 C ATOM 366 CG2 VAL A 23 -0.616 0.761 -8.108 1.00 63.41 C ATOM 0 H VAL A 23 1.877 1.196 -7.137 1.00 4.12 H new ATOM 0 HA VAL A 23 2.146 1.669 -10.000 1.00 74.23 H new ATOM 0 HB VAL A 23 -0.065 0.683 -10.159 1.00 34.32 H new ATOM 0 HG11 VAL A 23 0.378 -1.539 -9.153 1.00 12.41 H new ATOM 0 HG12 VAL A 23 1.831 -0.863 -9.926 1.00 12.41 H new ATOM 0 HG13 VAL A 23 1.665 -0.821 -8.155 1.00 12.41 H new ATOM 0 HG21 VAL A 23 -1.340 -0.050 -8.190 1.00 63.41 H new ATOM 0 HG22 VAL A 23 -0.139 0.724 -7.129 1.00 63.41 H new ATOM 0 HG23 VAL A 23 -1.127 1.717 -8.227 1.00 63.41 H new ATOM 376 N HIS A 24 0.627 3.696 -7.974 1.00 34.20 N ATOM 377 CA HIS A 24 0.032 5.026 -7.878 1.00 72.33 C ATOM 378 C HIS A 24 0.483 5.716 -6.599 1.00 72.13 C ATOM 379 O HIS A 24 0.429 5.130 -5.518 1.00 54.14 O ATOM 380 CB HIS A 24 -1.502 4.936 -7.902 1.00 12.14 C ATOM 381 CG HIS A 24 -2.186 6.265 -8.054 1.00 32.31 C ATOM 382 ND1 HIS A 24 -2.195 6.971 -9.234 1.00 51.24 N ATOM 383 CD2 HIS A 24 -2.876 7.023 -7.164 1.00 5.34 C ATOM 384 CE1 HIS A 24 -2.855 8.101 -9.068 1.00 52.31 C ATOM 385 NE2 HIS A 24 -3.281 8.160 -7.821 1.00 41.25 N ATOM 0 H HIS A 24 0.882 3.281 -7.078 1.00 34.20 H new ATOM 0 HA HIS A 24 0.365 5.609 -8.736 1.00 72.33 H new ATOM 0 HB2 HIS A 24 -1.806 4.286 -8.723 1.00 12.14 H new ATOM 0 HB3 HIS A 24 -1.843 4.466 -6.980 1.00 12.14 H new ATOM 0 HD2 HIS A 24 -3.071 6.778 -6.130 1.00 5.34 H new ATOM 0 HE1 HIS A 24 -3.019 8.852 -9.826 1.00 52.31 H new ATOM 0 HE2 HIS A 24 -3.821 8.923 -7.412 1.00 41.25 H new ATOM 394 N ASN A 25 0.911 6.964 -6.730 1.00 2.02 N ATOM 395 CA ASN A 25 1.318 7.776 -5.590 1.00 30.31 C ATOM 396 C ASN A 25 0.574 9.103 -5.629 1.00 43.52 C ATOM 397 O ASN A 25 0.824 9.940 -6.495 1.00 10.41 O ATOM 398 CB ASN A 25 2.836 7.995 -5.622 1.00 34.34 C ATOM 399 CG ASN A 25 3.348 8.849 -4.472 1.00 2.04 C ATOM 400 OD1 ASN A 25 2.730 8.929 -3.408 1.00 51.34 O ATOM 401 ND2 ASN A 25 4.497 9.479 -4.673 1.00 61.24 N ATOM 0 H ASN A 25 0.986 7.442 -7.628 1.00 2.02 H new ATOM 0 HA ASN A 25 1.070 7.263 -4.661 1.00 30.31 H new ATOM 0 HB2 ASN A 25 3.336 7.027 -5.596 1.00 34.34 H new ATOM 0 HB3 ASN A 25 3.107 8.469 -6.565 1.00 34.34 H new ATOM 0 HD21 ASN A 25 4.899 10.055 -3.933 1.00 61.24 H new ATOM 0 HD22 ASN A 25 4.979 9.388 -5.567 1.00 61.24 H new ATOM 408 N PHE A 26 -0.363 9.274 -4.704 1.00 32.55 N ATOM 409 CA PHE A 26 -1.254 10.427 -4.710 1.00 72.32 C ATOM 410 C PHE A 26 -0.711 11.525 -3.796 1.00 22.32 C ATOM 411 O PHE A 26 -0.629 11.341 -2.579 1.00 71.12 O ATOM 412 CB PHE A 26 -2.654 9.986 -4.258 1.00 73.12 C ATOM 413 CG PHE A 26 -3.737 11.026 -4.443 1.00 23.31 C ATOM 414 CD1 PHE A 26 -4.255 11.286 -5.704 1.00 14.24 C ATOM 415 CD2 PHE A 26 -4.244 11.731 -3.360 1.00 31.20 C ATOM 416 CE1 PHE A 26 -5.253 12.225 -5.878 1.00 4.21 C ATOM 417 CE2 PHE A 26 -5.243 12.669 -3.530 1.00 53.10 C ATOM 418 CZ PHE A 26 -5.749 12.916 -4.790 1.00 32.20 C ATOM 0 H PHE A 26 -0.526 8.624 -3.935 1.00 32.55 H new ATOM 0 HA PHE A 26 -1.316 10.833 -5.720 1.00 72.32 H new ATOM 0 HB2 PHE A 26 -2.933 9.089 -4.811 1.00 73.12 H new ATOM 0 HB3 PHE A 26 -2.610 9.711 -3.204 1.00 73.12 H new ATOM 0 HD1 PHE A 26 -3.873 10.748 -6.559 1.00 14.24 H new ATOM 0 HD2 PHE A 26 -3.852 11.543 -2.371 1.00 31.20 H new ATOM 0 HE1 PHE A 26 -5.646 12.419 -6.865 1.00 4.21 H new ATOM 0 HE2 PHE A 26 -5.628 13.209 -2.678 1.00 53.10 H new ATOM 0 HZ PHE A 26 -6.531 13.648 -4.925 1.00 32.20 H new ATOM 428 N LYS A 27 -0.317 12.649 -4.401 1.00 63.43 N ATOM 429 CA LYS A 27 0.180 13.812 -3.658 1.00 25.53 C ATOM 430 C LYS A 27 1.407 13.448 -2.823 1.00 4.53 C ATOM 431 O LYS A 27 1.607 13.993 -1.735 1.00 63.10 O ATOM 432 CB LYS A 27 -0.930 14.405 -2.766 1.00 34.14 C ATOM 433 CG LYS A 27 -1.869 15.365 -3.492 1.00 14.22 C ATOM 434 CD LYS A 27 -2.495 14.744 -4.735 1.00 1.34 C ATOM 435 CE LYS A 27 -3.479 15.696 -5.400 1.00 65.21 C ATOM 436 NZ LYS A 27 -2.841 16.984 -5.791 1.00 53.24 N ATOM 0 H LYS A 27 -0.333 12.779 -5.413 1.00 63.43 H new ATOM 0 HA LYS A 27 0.479 14.570 -4.382 1.00 25.53 H new ATOM 0 HB2 LYS A 27 -1.517 13.589 -2.345 1.00 34.14 H new ATOM 0 HB3 LYS A 27 -0.468 14.929 -1.930 1.00 34.14 H new ATOM 0 HG2 LYS A 27 -2.659 15.680 -2.810 1.00 14.22 H new ATOM 0 HG3 LYS A 27 -1.318 16.261 -3.776 1.00 14.22 H new ATOM 0 HD2 LYS A 27 -1.711 14.476 -5.443 1.00 1.34 H new ATOM 0 HD3 LYS A 27 -3.007 13.821 -4.463 1.00 1.34 H new ATOM 0 HE2 LYS A 27 -3.902 15.219 -6.284 1.00 65.21 H new ATOM 0 HE3 LYS A 27 -4.306 15.895 -4.719 1.00 65.21 H new ATOM 0 HZ1 LYS A 27 -3.497 17.529 -6.386 1.00 53.24 H new ATOM 0 HZ2 LYS A 27 -2.612 17.531 -4.937 1.00 53.24 H new ATOM 0 HZ3 LYS A 27 -1.968 16.792 -6.323 1.00 53.24 H new ATOM 450 N ASP A 28 2.232 12.543 -3.354 1.00 33.15 N ATOM 451 CA ASP A 28 3.446 12.094 -2.666 1.00 30.11 C ATOM 452 C ASP A 28 3.114 11.483 -1.307 1.00 43.34 C ATOM 453 O ASP A 28 3.926 11.526 -0.381 1.00 32.43 O ATOM 454 CB ASP A 28 4.465 13.245 -2.511 1.00 44.40 C ATOM 455 CG ASP A 28 5.499 13.272 -3.628 1.00 4.44 C ATOM 456 OD1 ASP A 28 5.227 13.869 -4.693 1.00 12.23 O ATOM 457 OD2 ASP A 28 6.589 12.684 -3.451 1.00 14.53 O ATOM 0 H ASP A 28 2.081 12.105 -4.262 1.00 33.15 H new ATOM 0 HA ASP A 28 3.904 11.322 -3.284 1.00 30.11 H new ATOM 0 HB2 ASP A 28 3.932 14.196 -2.492 1.00 44.40 H new ATOM 0 HB3 ASP A 28 4.975 13.146 -1.553 1.00 44.40 H new ATOM 462 N GLY A 29 1.932 10.888 -1.205 1.00 1.13 N ATOM 463 CA GLY A 29 1.523 10.232 0.026 1.00 61.11 C ATOM 464 C GLY A 29 2.425 9.068 0.387 1.00 43.30 C ATOM 465 O GLY A 29 2.464 8.632 1.540 1.00 64.35 O ATOM 0 H GLY A 29 1.244 10.847 -1.957 1.00 1.13 H new ATOM 0 HA2 GLY A 29 1.527 10.957 0.840 1.00 61.11 H new ATOM 0 HA3 GLY A 29 0.498 9.875 -0.078 1.00 61.11 H new ATOM 469 N PHE A 30 3.154 8.561 -0.605 1.00 2.31 N ATOM 470 CA PHE A 30 4.078 7.457 -0.395 1.00 62.34 C ATOM 471 C PHE A 30 5.330 7.921 0.341 1.00 61.42 C ATOM 472 O PHE A 30 5.894 8.978 0.035 1.00 13.12 O ATOM 473 CB PHE A 30 4.479 6.814 -1.730 1.00 3.42 C ATOM 474 CG PHE A 30 5.416 5.642 -1.562 1.00 70.01 C ATOM 475 CD1 PHE A 30 4.948 4.431 -1.068 1.00 72.32 C ATOM 476 CD2 PHE A 30 6.764 5.754 -1.879 1.00 44.20 C ATOM 477 CE1 PHE A 30 5.802 3.360 -0.897 1.00 40.45 C ATOM 478 CE2 PHE A 30 7.622 4.684 -1.705 1.00 23.35 C ATOM 479 CZ PHE A 30 7.139 3.486 -1.214 1.00 11.21 C ATOM 0 H PHE A 30 3.120 8.902 -1.566 1.00 2.31 H new ATOM 0 HA PHE A 30 3.563 6.716 0.216 1.00 62.34 H new ATOM 0 HB2 PHE A 30 3.581 6.482 -2.252 1.00 3.42 H new ATOM 0 HB3 PHE A 30 4.955 7.565 -2.360 1.00 3.42 H new ATOM 0 HD1 PHE A 30 3.903 4.326 -0.815 1.00 72.32 H new ATOM 0 HD2 PHE A 30 7.146 6.687 -2.266 1.00 44.20 H new ATOM 0 HE1 PHE A 30 5.424 2.423 -0.515 1.00 40.45 H new ATOM 0 HE2 PHE A 30 8.668 4.784 -1.953 1.00 23.35 H new ATOM 0 HZ PHE A 30 7.808 2.649 -1.078 1.00 11.21 H new ATOM 489 N ASN A 31 5.752 7.117 1.307 1.00 5.40 N ATOM 490 CA ASN A 31 6.995 7.336 2.033 1.00 44.10 C ATOM 491 C ASN A 31 7.531 5.990 2.507 1.00 31.33 C ATOM 492 O ASN A 31 6.841 5.263 3.224 1.00 30.44 O ATOM 493 CB ASN A 31 6.776 8.279 3.221 1.00 64.24 C ATOM 494 CG ASN A 31 8.047 8.493 4.024 1.00 13.23 C ATOM 495 OD1 ASN A 31 8.312 7.773 4.983 1.00 40.21 O ATOM 496 ND2 ASN A 31 8.843 9.471 3.628 1.00 13.03 N ATOM 0 H ASN A 31 5.239 6.290 1.611 1.00 5.40 H new ATOM 0 HA ASN A 31 7.722 7.807 1.371 1.00 44.10 H new ATOM 0 HB2 ASN A 31 6.411 9.240 2.858 1.00 64.24 H new ATOM 0 HB3 ASN A 31 6.002 7.869 3.870 1.00 64.24 H new ATOM 0 HD21 ASN A 31 9.716 9.651 4.125 1.00 13.03 H new ATOM 0 HD22 ASN A 31 8.585 10.046 2.826 1.00 13.03 H new ATOM 503 N GLU A 32 8.749 5.661 2.092 1.00 13.44 N ATOM 504 CA GLU A 32 9.315 4.331 2.305 1.00 13.23 C ATOM 505 C GLU A 32 9.462 4.005 3.792 1.00 64.02 C ATOM 506 O GLU A 32 8.992 2.961 4.252 1.00 75.02 O ATOM 507 CB GLU A 32 10.676 4.228 1.604 1.00 0.22 C ATOM 508 CG GLU A 32 11.360 2.874 1.752 1.00 64.14 C ATOM 509 CD GLU A 32 12.735 2.850 1.107 1.00 14.12 C ATOM 510 OE1 GLU A 32 13.702 3.333 1.736 1.00 53.15 O ATOM 511 OE2 GLU A 32 12.856 2.363 -0.036 1.00 35.04 O ATOM 0 H GLU A 32 9.370 6.304 1.601 1.00 13.44 H new ATOM 0 HA GLU A 32 8.626 3.602 1.878 1.00 13.23 H new ATOM 0 HB2 GLU A 32 10.541 4.439 0.543 1.00 0.22 H new ATOM 0 HB3 GLU A 32 11.335 5.000 2.002 1.00 0.22 H new ATOM 0 HG2 GLU A 32 11.453 2.630 2.810 1.00 64.14 H new ATOM 0 HG3 GLU A 32 10.736 2.103 1.301 1.00 64.14 H new ATOM 518 N GLU A 33 10.099 4.902 4.544 1.00 21.44 N ATOM 519 CA GLU A 33 10.386 4.641 5.953 1.00 71.35 C ATOM 520 C GLU A 33 9.098 4.529 6.773 1.00 62.44 C ATOM 521 O GLU A 33 9.037 3.767 7.741 1.00 71.25 O ATOM 522 CB GLU A 33 11.335 5.700 6.536 1.00 75.34 C ATOM 523 CG GLU A 33 10.831 7.135 6.441 1.00 50.40 C ATOM 524 CD GLU A 33 11.878 8.144 6.881 1.00 2.10 C ATOM 525 OE1 GLU A 33 11.935 8.469 8.086 1.00 64.00 O ATOM 526 OE2 GLU A 33 12.664 8.609 6.028 1.00 11.43 O ATOM 0 H GLU A 33 10.423 5.808 4.205 1.00 21.44 H new ATOM 0 HA GLU A 33 10.895 3.679 6.013 1.00 71.35 H new ATOM 0 HB2 GLU A 33 11.520 5.464 7.584 1.00 75.34 H new ATOM 0 HB3 GLU A 33 12.293 5.632 6.020 1.00 75.34 H new ATOM 0 HG2 GLU A 33 10.535 7.347 5.414 1.00 50.40 H new ATOM 0 HG3 GLU A 33 9.940 7.246 7.059 1.00 50.40 H new ATOM 533 N ALA A 34 8.069 5.276 6.378 1.00 12.00 N ATOM 534 CA ALA A 34 6.759 5.179 7.024 1.00 14.34 C ATOM 535 C ALA A 34 6.074 3.863 6.646 1.00 33.11 C ATOM 536 O ALA A 34 5.474 3.197 7.492 1.00 62.13 O ATOM 537 CB ALA A 34 5.884 6.369 6.636 1.00 1.52 C ATOM 0 H ALA A 34 8.115 5.953 5.617 1.00 12.00 H new ATOM 0 HA ALA A 34 6.903 5.195 8.104 1.00 14.34 H new ATOM 0 HB1 ALA A 34 4.914 6.282 7.125 1.00 1.52 H new ATOM 0 HB2 ALA A 34 6.367 7.294 6.951 1.00 1.52 H new ATOM 0 HB3 ALA A 34 5.746 6.382 5.555 1.00 1.52 H new ATOM 543 N PHE A 35 6.190 3.494 5.373 1.00 24.33 N ATOM 544 CA PHE A 35 5.584 2.270 4.848 1.00 55.15 C ATOM 545 C PHE A 35 6.128 1.038 5.576 1.00 22.40 C ATOM 546 O PHE A 35 5.373 0.278 6.187 1.00 42.54 O ATOM 547 CB PHE A 35 5.857 2.159 3.336 1.00 32.11 C ATOM 548 CG PHE A 35 5.443 0.841 2.723 1.00 54.40 C ATOM 549 CD1 PHE A 35 4.133 0.622 2.330 1.00 33.51 C ATOM 550 CD2 PHE A 35 6.370 -0.180 2.544 1.00 1.42 C ATOM 551 CE1 PHE A 35 3.753 -0.585 1.774 1.00 1.21 C ATOM 552 CE2 PHE A 35 5.993 -1.388 1.988 1.00 33.54 C ATOM 553 CZ PHE A 35 4.684 -1.590 1.604 1.00 13.20 C ATOM 0 H PHE A 35 6.705 4.032 4.676 1.00 24.33 H new ATOM 0 HA PHE A 35 4.508 2.316 5.015 1.00 55.15 H new ATOM 0 HB2 PHE A 35 5.332 2.965 2.824 1.00 32.11 H new ATOM 0 HB3 PHE A 35 6.922 2.310 3.159 1.00 32.11 H new ATOM 0 HD1 PHE A 35 3.399 1.404 2.460 1.00 33.51 H new ATOM 0 HD2 PHE A 35 7.397 -0.027 2.843 1.00 1.42 H new ATOM 0 HE1 PHE A 35 2.728 -0.742 1.473 1.00 1.21 H new ATOM 0 HE2 PHE A 35 6.723 -2.173 1.854 1.00 33.54 H new ATOM 0 HZ PHE A 35 4.387 -2.534 1.171 1.00 13.20 H new ATOM 563 N LYS A 36 7.446 0.867 5.521 1.00 24.20 N ATOM 564 CA LYS A 36 8.109 -0.308 6.086 1.00 23.33 C ATOM 565 C LYS A 36 7.812 -0.459 7.577 1.00 33.31 C ATOM 566 O LYS A 36 7.744 -1.577 8.095 1.00 33.22 O ATOM 567 CB LYS A 36 9.625 -0.230 5.840 1.00 0.40 C ATOM 568 CG LYS A 36 10.275 1.043 6.371 1.00 42.14 C ATOM 569 CD LYS A 36 11.724 1.189 5.907 1.00 43.44 C ATOM 570 CE LYS A 36 12.646 0.159 6.545 1.00 4.04 C ATOM 571 NZ LYS A 36 12.719 0.321 8.022 1.00 62.10 N ATOM 0 H LYS A 36 8.083 1.534 5.086 1.00 24.20 H new ATOM 0 HA LYS A 36 7.714 -1.191 5.584 1.00 23.33 H new ATOM 0 HB2 LYS A 36 10.103 -1.091 6.306 1.00 0.40 H new ATOM 0 HB3 LYS A 36 9.813 -0.302 4.769 1.00 0.40 H new ATOM 0 HG2 LYS A 36 9.700 1.908 6.039 1.00 42.14 H new ATOM 0 HG3 LYS A 36 10.243 1.038 7.461 1.00 42.14 H new ATOM 0 HD2 LYS A 36 11.767 1.088 4.823 1.00 43.44 H new ATOM 0 HD3 LYS A 36 12.081 2.190 6.148 1.00 43.44 H new ATOM 0 HE2 LYS A 36 12.291 -0.844 6.307 1.00 4.04 H new ATOM 0 HE3 LYS A 36 13.645 0.253 6.119 1.00 4.04 H new ATOM 0 HZ1 LYS A 36 13.531 -0.214 8.390 1.00 62.10 H new ATOM 0 HZ2 LYS A 36 12.833 1.328 8.256 1.00 62.10 H new ATOM 0 HZ3 LYS A 36 11.844 -0.038 8.454 1.00 62.10 H new ATOM 585 N ALA A 37 7.614 0.666 8.257 1.00 2.21 N ATOM 586 CA ALA A 37 7.341 0.657 9.690 1.00 1.51 C ATOM 587 C ALA A 37 5.967 0.057 9.991 1.00 50.42 C ATOM 588 O ALA A 37 5.781 -0.610 11.012 1.00 22.25 O ATOM 589 CB ALA A 37 7.433 2.070 10.254 1.00 25.33 C ATOM 0 H ALA A 37 7.638 1.596 7.838 1.00 2.21 H new ATOM 0 HA ALA A 37 8.094 0.032 10.170 1.00 1.51 H new ATOM 0 HB1 ALA A 37 7.227 2.049 11.324 1.00 25.33 H new ATOM 0 HB2 ALA A 37 8.435 2.465 10.085 1.00 25.33 H new ATOM 0 HB3 ALA A 37 6.703 2.709 9.757 1.00 25.33 H new ATOM 595 N ARG A 38 5.010 0.286 9.094 1.00 21.55 N ATOM 596 CA ARG A 38 3.625 -0.134 9.321 1.00 41.42 C ATOM 597 C ARG A 38 3.247 -1.341 8.462 1.00 12.43 C ATOM 598 O ARG A 38 2.129 -1.855 8.568 1.00 10.43 O ATOM 599 CB ARG A 38 2.671 1.035 9.044 1.00 21.32 C ATOM 600 CG ARG A 38 2.955 2.268 9.898 1.00 4.31 C ATOM 601 CD ARG A 38 2.827 1.968 11.386 1.00 34.21 C ATOM 602 NE ARG A 38 3.282 3.088 12.210 1.00 44.33 N ATOM 603 CZ ARG A 38 3.161 3.143 13.538 1.00 74.03 C ATOM 604 NH1 ARG A 38 2.579 2.153 14.201 1.00 55.22 N ATOM 605 NH2 ARG A 38 3.623 4.191 14.201 1.00 20.40 N ATOM 0 H ARG A 38 5.166 0.759 8.204 1.00 21.55 H new ATOM 0 HA ARG A 38 3.536 -0.436 10.365 1.00 41.42 H new ATOM 0 HB2 ARG A 38 2.740 1.308 7.991 1.00 21.32 H new ATOM 0 HB3 ARG A 38 1.647 0.708 9.222 1.00 21.32 H new ATOM 0 HG2 ARG A 38 3.960 2.633 9.686 1.00 4.31 H new ATOM 0 HG3 ARG A 38 2.263 3.065 9.627 1.00 4.31 H new ATOM 0 HD2 ARG A 38 1.787 1.742 11.623 1.00 34.21 H new ATOM 0 HD3 ARG A 38 3.409 1.079 11.628 1.00 34.21 H new ATOM 0 HE ARG A 38 3.721 3.879 11.738 1.00 44.33 H new ATOM 0 HH11 ARG A 38 2.220 1.343 13.696 1.00 55.22 H new ATOM 0 HH12 ARG A 38 2.490 2.202 15.216 1.00 55.22 H new ATOM 0 HH21 ARG A 38 4.071 4.956 13.697 1.00 20.40 H new ATOM 0 HH22 ARG A 38 3.531 4.234 15.216 1.00 20.40 H new ATOM 619 N TYR A 39 4.163 -1.782 7.607 1.00 21.01 N ATOM 620 CA TYR A 39 3.938 -2.977 6.798 1.00 42.31 C ATOM 621 C TYR A 39 4.121 -4.232 7.651 1.00 2.43 C ATOM 622 O TYR A 39 4.919 -4.243 8.593 1.00 11.44 O ATOM 623 CB TYR A 39 4.889 -3.014 5.589 1.00 51.13 C ATOM 624 CG TYR A 39 4.753 -4.279 4.748 1.00 43.22 C ATOM 625 CD1 TYR A 39 3.670 -4.461 3.891 1.00 32.10 C ATOM 626 CD2 TYR A 39 5.701 -5.297 4.825 1.00 1.55 C ATOM 627 CE1 TYR A 39 3.540 -5.615 3.138 1.00 23.43 C ATOM 628 CE2 TYR A 39 5.574 -6.452 4.078 1.00 45.32 C ATOM 629 CZ TYR A 39 4.497 -6.607 3.235 1.00 41.31 C ATOM 630 OH TYR A 39 4.372 -7.764 2.496 1.00 24.11 O ATOM 0 H TYR A 39 5.066 -1.333 7.455 1.00 21.01 H new ATOM 0 HA TYR A 39 2.915 -2.946 6.424 1.00 42.31 H new ATOM 0 HB2 TYR A 39 4.697 -2.146 4.959 1.00 51.13 H new ATOM 0 HB3 TYR A 39 5.917 -2.931 5.942 1.00 51.13 H new ATOM 0 HD1 TYR A 39 2.919 -3.689 3.813 1.00 32.10 H new ATOM 0 HD2 TYR A 39 6.551 -5.181 5.481 1.00 1.55 H new ATOM 0 HE1 TYR A 39 2.695 -5.740 2.478 1.00 23.43 H new ATOM 0 HE2 TYR A 39 6.318 -7.231 4.155 1.00 45.32 H new ATOM 0 HH TYR A 39 5.131 -8.355 2.682 1.00 24.11 H new ATOM 640 N SER A 40 3.379 -5.280 7.317 1.00 61.32 N ATOM 641 CA SER A 40 3.473 -6.553 8.016 1.00 52.44 C ATOM 642 C SER A 40 3.164 -7.695 7.047 1.00 43.14 C ATOM 643 O SER A 40 2.471 -7.495 6.045 1.00 54.21 O ATOM 644 CB SER A 40 2.506 -6.573 9.210 1.00 74.04 C ATOM 645 OG SER A 40 2.608 -7.782 9.943 1.00 34.01 O ATOM 0 H SER A 40 2.698 -5.271 6.557 1.00 61.32 H new ATOM 0 HA SER A 40 4.486 -6.683 8.397 1.00 52.44 H new ATOM 0 HB2 SER A 40 2.720 -5.730 9.866 1.00 74.04 H new ATOM 0 HB3 SER A 40 1.484 -6.448 8.853 1.00 74.04 H new ATOM 0 HG SER A 40 1.981 -7.762 10.696 1.00 34.01 H new ATOM 651 N ASP A 41 3.676 -8.884 7.351 1.00 60.42 N ATOM 652 CA ASP A 41 3.526 -10.053 6.479 1.00 64.21 C ATOM 653 C ASP A 41 2.059 -10.453 6.325 1.00 25.03 C ATOM 654 O ASP A 41 1.679 -11.088 5.336 1.00 0.31 O ATOM 655 CB ASP A 41 4.337 -11.234 7.026 1.00 65.00 C ATOM 656 CG ASP A 41 5.840 -10.986 6.982 1.00 75.20 C ATOM 657 OD1 ASP A 41 6.466 -11.274 5.938 1.00 32.34 O ATOM 658 OD2 ASP A 41 6.401 -10.496 7.987 1.00 2.31 O ATOM 0 H ASP A 41 4.205 -9.068 8.204 1.00 60.42 H new ATOM 0 HA ASP A 41 3.906 -9.782 5.494 1.00 64.21 H new ATOM 0 HB2 ASP A 41 4.035 -11.431 8.055 1.00 65.00 H new ATOM 0 HB3 ASP A 41 4.103 -12.128 6.448 1.00 65.00 H new ATOM 663 N ILE A 42 1.237 -10.076 7.303 1.00 74.11 N ATOM 664 CA ILE A 42 -0.200 -10.351 7.255 1.00 60.14 C ATOM 665 C ILE A 42 -0.835 -9.660 6.042 1.00 12.45 C ATOM 666 O ILE A 42 -1.822 -10.139 5.480 1.00 43.31 O ATOM 667 CB ILE A 42 -0.905 -9.885 8.565 1.00 23.22 C ATOM 668 CG1 ILE A 42 -2.416 -10.185 8.522 1.00 61.32 C ATOM 669 CG2 ILE A 42 -0.663 -8.396 8.813 1.00 3.55 C ATOM 670 CD1 ILE A 42 -2.752 -11.661 8.424 1.00 62.23 C ATOM 0 H ILE A 42 1.541 -9.578 8.140 1.00 74.11 H new ATOM 0 HA ILE A 42 -0.333 -11.429 7.161 1.00 60.14 H new ATOM 0 HB ILE A 42 -0.472 -10.448 9.392 1.00 23.22 H new ATOM 0 HG12 ILE A 42 -2.882 -9.776 9.418 1.00 61.32 H new ATOM 0 HG13 ILE A 42 -2.854 -9.666 7.669 1.00 61.32 H new ATOM 0 HG21 ILE A 42 -1.165 -8.094 9.732 1.00 3.55 H new ATOM 0 HG22 ILE A 42 0.407 -8.212 8.906 1.00 3.55 H new ATOM 0 HG23 ILE A 42 -1.059 -7.819 7.977 1.00 3.55 H new ATOM 0 HD11 ILE A 42 -3.834 -11.787 8.399 1.00 62.23 H new ATOM 0 HD12 ILE A 42 -2.317 -12.073 7.513 1.00 62.23 H new ATOM 0 HD13 ILE A 42 -2.346 -12.185 9.289 1.00 62.23 H new ATOM 682 N LEU A 43 -0.235 -8.548 5.626 1.00 14.14 N ATOM 683 CA LEU A 43 -0.768 -7.737 4.535 1.00 23.54 C ATOM 684 C LEU A 43 -0.341 -8.282 3.167 1.00 75.24 C ATOM 685 O LEU A 43 -0.958 -7.975 2.146 1.00 20.11 O ATOM 686 CB LEU A 43 -0.294 -6.284 4.687 1.00 62.31 C ATOM 687 CG LEU A 43 -0.694 -5.590 6.000 1.00 5.13 C ATOM 688 CD1 LEU A 43 -0.097 -4.185 6.068 1.00 55.31 C ATOM 689 CD2 LEU A 43 -2.214 -5.541 6.142 1.00 62.12 C ATOM 0 H LEU A 43 0.628 -8.186 6.032 1.00 14.14 H new ATOM 0 HA LEU A 43 -1.856 -7.777 4.588 1.00 23.54 H new ATOM 0 HB2 LEU A 43 0.793 -6.264 4.602 1.00 62.31 H new ATOM 0 HB3 LEU A 43 -0.689 -5.702 3.854 1.00 62.31 H new ATOM 0 HG LEU A 43 -0.294 -6.171 6.831 1.00 5.13 H new ATOM 0 HD11 LEU A 43 -0.391 -3.710 7.004 1.00 55.31 H new ATOM 0 HD12 LEU A 43 0.990 -4.249 6.019 1.00 55.31 H new ATOM 0 HD13 LEU A 43 -0.464 -3.593 5.230 1.00 55.31 H new ATOM 0 HD21 LEU A 43 -2.476 -5.046 7.077 1.00 62.12 H new ATOM 0 HD22 LEU A 43 -2.640 -4.986 5.306 1.00 62.12 H new ATOM 0 HD23 LEU A 43 -2.612 -6.556 6.144 1.00 62.12 H new ATOM 701 N ASN A 44 0.702 -9.106 3.158 1.00 32.21 N ATOM 702 CA ASN A 44 1.299 -9.584 1.907 1.00 0.04 C ATOM 703 C ASN A 44 0.311 -10.425 1.098 1.00 1.24 C ATOM 704 O ASN A 44 0.294 -10.367 -0.133 1.00 10.22 O ATOM 705 CB ASN A 44 2.565 -10.400 2.202 1.00 53.31 C ATOM 706 CG ASN A 44 3.325 -10.779 0.940 1.00 13.41 C ATOM 707 OD1 ASN A 44 3.106 -11.840 0.357 1.00 33.23 O ATOM 708 ND2 ASN A 44 4.230 -9.911 0.513 1.00 10.53 N ATOM 0 H ASN A 44 1.154 -9.459 4.001 1.00 32.21 H new ATOM 0 HA ASN A 44 1.563 -8.711 1.310 1.00 0.04 H new ATOM 0 HB2 ASN A 44 3.219 -9.824 2.856 1.00 53.31 H new ATOM 0 HB3 ASN A 44 2.291 -11.306 2.742 1.00 53.31 H new ATOM 0 HD21 ASN A 44 4.774 -10.112 -0.326 1.00 10.53 H new ATOM 0 HD22 ASN A 44 4.383 -9.041 1.024 1.00 10.53 H new ATOM 715 N LYS A 45 -0.533 -11.176 1.802 1.00 41.04 N ATOM 716 CA LYS A 45 -1.459 -12.122 1.168 1.00 31.31 C ATOM 717 C LYS A 45 -2.486 -11.416 0.274 1.00 13.34 C ATOM 718 O LYS A 45 -3.157 -12.062 -0.535 1.00 34.14 O ATOM 719 CB LYS A 45 -2.205 -12.935 2.237 1.00 1.54 C ATOM 720 CG LYS A 45 -3.087 -12.084 3.150 1.00 44.20 C ATOM 721 CD LYS A 45 -4.031 -12.936 3.993 1.00 70.25 C ATOM 722 CE LYS A 45 -3.280 -13.878 4.923 1.00 44.22 C ATOM 723 NZ LYS A 45 -4.209 -14.767 5.664 1.00 62.33 N ATOM 0 H LYS A 45 -0.597 -11.150 2.820 1.00 41.04 H new ATOM 0 HA LYS A 45 -0.858 -12.782 0.543 1.00 31.31 H new ATOM 0 HB2 LYS A 45 -2.824 -13.685 1.744 1.00 1.54 H new ATOM 0 HB3 LYS A 45 -1.478 -13.472 2.846 1.00 1.54 H new ATOM 0 HG2 LYS A 45 -2.456 -11.485 3.807 1.00 44.20 H new ATOM 0 HG3 LYS A 45 -3.669 -11.389 2.545 1.00 44.20 H new ATOM 0 HD2 LYS A 45 -4.677 -12.285 4.582 1.00 70.25 H new ATOM 0 HD3 LYS A 45 -4.678 -13.517 3.336 1.00 70.25 H new ATOM 0 HE2 LYS A 45 -2.581 -14.482 4.344 1.00 44.22 H new ATOM 0 HE3 LYS A 45 -2.689 -13.297 5.631 1.00 44.22 H new ATOM 0 HZ1 LYS A 45 -3.664 -15.396 6.288 1.00 62.33 H new ATOM 0 HZ2 LYS A 45 -4.859 -14.191 6.235 1.00 62.33 H new ATOM 0 HZ3 LYS A 45 -4.755 -15.339 4.988 1.00 62.33 H new ATOM 737 N TYR A 46 -2.623 -10.105 0.435 1.00 53.24 N ATOM 738 CA TYR A 46 -3.631 -9.340 -0.297 1.00 41.24 C ATOM 739 C TYR A 46 -3.149 -8.998 -1.709 1.00 31.43 C ATOM 740 O TYR A 46 -3.957 -8.740 -2.602 1.00 14.03 O ATOM 741 CB TYR A 46 -3.972 -8.055 0.470 1.00 2.53 C ATOM 742 CG TYR A 46 -4.644 -8.294 1.808 1.00 13.33 C ATOM 743 CD1 TYR A 46 -3.898 -8.439 2.970 1.00 1.24 C ATOM 744 CD2 TYR A 46 -6.030 -8.362 1.910 1.00 70.34 C ATOM 745 CE1 TYR A 46 -4.505 -8.651 4.191 1.00 22.22 C ATOM 746 CE2 TYR A 46 -6.646 -8.571 3.129 1.00 74.14 C ATOM 747 CZ TYR A 46 -5.879 -8.715 4.266 1.00 53.43 C ATOM 748 OH TYR A 46 -6.489 -8.924 5.483 1.00 35.22 O ATOM 0 H TYR A 46 -2.049 -9.547 1.067 1.00 53.24 H new ATOM 0 HA TYR A 46 -4.526 -9.955 -0.386 1.00 41.24 H new ATOM 0 HB2 TYR A 46 -3.056 -7.487 0.632 1.00 2.53 H new ATOM 0 HB3 TYR A 46 -4.625 -7.438 -0.148 1.00 2.53 H new ATOM 0 HD1 TYR A 46 -2.821 -8.385 2.917 1.00 1.24 H new ATOM 0 HD2 TYR A 46 -6.634 -8.250 1.022 1.00 70.34 H new ATOM 0 HE1 TYR A 46 -3.906 -8.766 5.083 1.00 22.22 H new ATOM 0 HE2 TYR A 46 -7.723 -8.621 3.191 1.00 74.14 H new ATOM 0 HH TYR A 46 -7.461 -8.942 5.363 1.00 35.22 H new ATOM 758 N ASP A 47 -1.824 -8.995 -1.891 1.00 11.31 N ATOM 759 CA ASP A 47 -1.184 -8.627 -3.165 1.00 12.32 C ATOM 760 C ASP A 47 -1.397 -7.147 -3.509 1.00 74.21 C ATOM 761 O ASP A 47 -0.898 -6.667 -4.532 1.00 11.10 O ATOM 762 CB ASP A 47 -1.684 -9.507 -4.330 1.00 24.22 C ATOM 763 CG ASP A 47 -1.132 -10.924 -4.294 1.00 51.23 C ATOM 764 OD1 ASP A 47 0.107 -11.081 -4.274 1.00 54.14 O ATOM 765 OD2 ASP A 47 -1.925 -11.891 -4.325 1.00 50.55 O ATOM 0 H ASP A 47 -1.161 -9.248 -1.159 1.00 11.31 H new ATOM 0 HA ASP A 47 -0.116 -8.799 -3.030 1.00 12.32 H new ATOM 0 HB2 ASP A 47 -2.773 -9.548 -4.304 1.00 24.22 H new ATOM 0 HB3 ASP A 47 -1.405 -9.040 -5.275 1.00 24.22 H new ATOM 770 N TYR A 48 -2.100 -6.421 -2.643 1.00 61.45 N ATOM 771 CA TYR A 48 -2.375 -5.001 -2.855 1.00 14.42 C ATOM 772 C TYR A 48 -2.387 -4.256 -1.522 1.00 32.35 C ATOM 773 O TYR A 48 -3.215 -4.530 -0.650 1.00 33.33 O ATOM 774 CB TYR A 48 -3.714 -4.802 -3.590 1.00 52.11 C ATOM 775 CG TYR A 48 -3.644 -5.120 -5.071 1.00 1.23 C ATOM 776 CD1 TYR A 48 -3.122 -4.195 -5.967 1.00 44.15 C ATOM 777 CD2 TYR A 48 -4.086 -6.341 -5.573 1.00 62.43 C ATOM 778 CE1 TYR A 48 -3.041 -4.473 -7.315 1.00 41.40 C ATOM 779 CE2 TYR A 48 -4.008 -6.625 -6.925 1.00 11.04 C ATOM 780 CZ TYR A 48 -3.483 -5.687 -7.790 1.00 13.15 C ATOM 781 OH TYR A 48 -3.394 -5.963 -9.136 1.00 72.21 O ATOM 0 H TYR A 48 -2.493 -6.797 -1.780 1.00 61.45 H new ATOM 0 HA TYR A 48 -1.580 -4.592 -3.479 1.00 14.42 H new ATOM 0 HB2 TYR A 48 -4.471 -5.434 -3.126 1.00 52.11 H new ATOM 0 HB3 TYR A 48 -4.039 -3.769 -3.463 1.00 52.11 H new ATOM 0 HD1 TYR A 48 -2.773 -3.241 -5.601 1.00 44.15 H new ATOM 0 HD2 TYR A 48 -4.496 -7.077 -4.897 1.00 62.43 H new ATOM 0 HE1 TYR A 48 -2.632 -3.741 -7.996 1.00 41.40 H new ATOM 0 HE2 TYR A 48 -4.356 -7.576 -7.301 1.00 11.04 H new ATOM 0 HH TYR A 48 -3.747 -6.861 -9.310 1.00 72.21 H new ATOM 791 N ILE A 49 -1.454 -3.319 -1.373 1.00 15.05 N ATOM 792 CA ILE A 49 -1.308 -2.546 -0.141 1.00 54.13 C ATOM 793 C ILE A 49 -1.603 -1.073 -0.407 1.00 73.04 C ATOM 794 O ILE A 49 -0.908 -0.432 -1.196 1.00 51.34 O ATOM 795 CB ILE A 49 0.128 -2.669 0.438 1.00 35.22 C ATOM 796 CG1 ILE A 49 0.547 -4.144 0.557 1.00 42.14 C ATOM 797 CG2 ILE A 49 0.224 -1.970 1.795 1.00 70.05 C ATOM 798 CD1 ILE A 49 -0.362 -4.972 1.441 1.00 51.43 C ATOM 0 H ILE A 49 -0.780 -3.074 -2.099 1.00 15.05 H new ATOM 0 HA ILE A 49 -2.017 -2.948 0.583 1.00 54.13 H new ATOM 0 HB ILE A 49 0.814 -2.177 -0.251 1.00 35.22 H new ATOM 0 HG12 ILE A 49 0.570 -4.586 -0.439 1.00 42.14 H new ATOM 0 HG13 ILE A 49 1.562 -4.192 0.951 1.00 42.14 H new ATOM 0 HG21 ILE A 49 1.238 -2.068 2.184 1.00 70.05 H new ATOM 0 HG22 ILE A 49 -0.020 -0.914 1.678 1.00 70.05 H new ATOM 0 HG23 ILE A 49 -0.477 -2.430 2.491 1.00 70.05 H new ATOM 0 HD11 ILE A 49 -0.000 -6.000 1.474 1.00 51.43 H new ATOM 0 HD12 ILE A 49 -0.367 -4.556 2.449 1.00 51.43 H new ATOM 0 HD13 ILE A 49 -1.374 -4.957 1.038 1.00 51.43 H new ATOM 810 N VAL A 50 -2.637 -0.547 0.237 1.00 11.21 N ATOM 811 CA VAL A 50 -3.000 0.860 0.097 1.00 20.30 C ATOM 812 C VAL A 50 -2.917 1.558 1.450 1.00 5.42 C ATOM 813 O VAL A 50 -3.640 1.209 2.383 1.00 44.13 O ATOM 814 CB VAL A 50 -4.429 1.032 -0.479 1.00 55.14 C ATOM 815 CG1 VAL A 50 -4.768 2.514 -0.656 1.00 53.13 C ATOM 816 CG2 VAL A 50 -4.569 0.275 -1.799 1.00 45.02 C ATOM 0 H VAL A 50 -3.243 -1.076 0.865 1.00 11.21 H new ATOM 0 HA VAL A 50 -2.294 1.311 -0.601 1.00 20.30 H new ATOM 0 HB VAL A 50 -5.140 0.609 0.231 1.00 55.14 H new ATOM 0 HG11 VAL A 50 -5.775 2.611 -1.061 1.00 53.13 H new ATOM 0 HG12 VAL A 50 -4.715 3.017 0.310 1.00 53.13 H new ATOM 0 HG13 VAL A 50 -4.055 2.971 -1.342 1.00 53.13 H new ATOM 0 HG21 VAL A 50 -5.578 0.407 -2.189 1.00 45.02 H new ATOM 0 HG22 VAL A 50 -3.848 0.663 -2.519 1.00 45.02 H new ATOM 0 HG23 VAL A 50 -4.380 -0.785 -1.632 1.00 45.02 H new ATOM 826 N GLY A 51 -2.019 2.531 1.552 1.00 51.42 N ATOM 827 CA GLY A 51 -1.878 3.299 2.777 1.00 51.34 C ATOM 828 C GLY A 51 -2.480 4.679 2.629 1.00 12.14 C ATOM 829 O GLY A 51 -2.182 5.374 1.654 1.00 31.15 O ATOM 0 H GLY A 51 -1.382 2.804 0.804 1.00 51.42 H new ATOM 0 HA2 GLY A 51 -2.366 2.773 3.598 1.00 51.34 H new ATOM 0 HA3 GLY A 51 -0.823 3.385 3.036 1.00 51.34 H new ATOM 833 N ASP A 52 -3.328 5.078 3.574 1.00 54.12 N ATOM 834 CA ASP A 52 -4.026 6.359 3.480 1.00 12.11 C ATOM 835 C ASP A 52 -3.493 7.362 4.501 1.00 1.34 C ATOM 836 O ASP A 52 -2.932 6.989 5.530 1.00 72.02 O ATOM 837 CB ASP A 52 -5.549 6.187 3.670 1.00 44.44 C ATOM 838 CG ASP A 52 -5.968 5.940 5.118 1.00 32.42 C ATOM 839 OD1 ASP A 52 -6.034 4.761 5.531 1.00 43.02 O ATOM 840 OD2 ASP A 52 -6.256 6.927 5.842 1.00 24.54 O ATOM 0 H ASP A 52 -3.548 4.536 4.410 1.00 54.12 H new ATOM 0 HA ASP A 52 -3.839 6.746 2.478 1.00 12.11 H new ATOM 0 HB2 ASP A 52 -6.054 7.081 3.303 1.00 44.44 H new ATOM 0 HB3 ASP A 52 -5.890 5.353 3.056 1.00 44.44 H new ATOM 845 N TRP A 53 -3.645 8.638 4.166 1.00 41.31 N ATOM 846 CA TRP A 53 -3.400 9.746 5.086 1.00 25.31 C ATOM 847 C TRP A 53 -4.700 10.519 5.297 1.00 72.24 C ATOM 848 O TRP A 53 -4.681 11.723 5.559 1.00 75.03 O ATOM 849 CB TRP A 53 -2.331 10.696 4.525 1.00 22.34 C ATOM 850 CG TRP A 53 -0.945 10.125 4.482 1.00 23.24 C ATOM 851 CD1 TRP A 53 -0.386 9.392 3.475 1.00 4.50 C ATOM 852 CD2 TRP A 53 0.064 10.256 5.493 1.00 63.32 C ATOM 853 NE1 TRP A 53 0.909 9.064 3.795 1.00 32.22 N ATOM 854 CE2 TRP A 53 1.207 9.580 5.029 1.00 53.32 C ATOM 855 CE3 TRP A 53 0.109 10.881 6.743 1.00 22.34 C ATOM 856 CZ2 TRP A 53 2.384 9.512 5.772 1.00 21.12 C ATOM 857 CZ3 TRP A 53 1.277 10.811 7.481 1.00 11.35 C ATOM 858 CH2 TRP A 53 2.400 10.133 6.992 1.00 45.21 C ATOM 0 H TRP A 53 -3.945 8.937 3.238 1.00 41.31 H new ATOM 0 HA TRP A 53 -3.043 9.341 6.033 1.00 25.31 H new ATOM 0 HB2 TRP A 53 -2.619 10.990 3.516 1.00 22.34 H new ATOM 0 HB3 TRP A 53 -2.317 11.603 5.130 1.00 22.34 H new ATOM 0 HD1 TRP A 53 -0.888 9.111 2.561 1.00 4.50 H new ATOM 0 HE1 TRP A 53 1.546 8.524 3.209 1.00 32.22 H new ATOM 0 HE3 TRP A 53 -0.752 11.409 7.125 1.00 22.34 H new ATOM 0 HZ2 TRP A 53 3.252 8.989 5.399 1.00 21.12 H new ATOM 0 HZ3 TRP A 53 1.323 11.287 8.449 1.00 11.35 H new ATOM 0 HH2 TRP A 53 3.299 10.099 7.590 1.00 45.21 H new ATOM 869 N GLY A 54 -5.819 9.799 5.228 1.00 33.23 N ATOM 870 CA GLY A 54 -7.141 10.416 5.211 1.00 22.32 C ATOM 871 C GLY A 54 -7.360 11.446 6.303 1.00 40.21 C ATOM 872 O GLY A 54 -7.959 12.495 6.062 1.00 70.04 O ATOM 0 H GLY A 54 -5.834 8.780 5.183 1.00 33.23 H new ATOM 0 HA2 GLY A 54 -7.295 10.891 4.242 1.00 22.32 H new ATOM 0 HA3 GLY A 54 -7.895 9.635 5.307 1.00 22.32 H new ATOM 876 N TYR A 55 -6.882 11.145 7.502 1.00 3.42 N ATOM 877 CA TYR A 55 -7.025 12.045 8.647 1.00 14.53 C ATOM 878 C TYR A 55 -5.643 12.365 9.222 1.00 40.43 C ATOM 879 O TYR A 55 -5.509 12.823 10.359 1.00 70.23 O ATOM 880 CB TYR A 55 -7.924 11.375 9.705 1.00 1.03 C ATOM 881 CG TYR A 55 -8.259 12.251 10.903 1.00 51.41 C ATOM 882 CD1 TYR A 55 -9.084 13.363 10.770 1.00 5.12 C ATOM 883 CD2 TYR A 55 -7.749 11.962 12.169 1.00 55.52 C ATOM 884 CE1 TYR A 55 -9.391 14.159 11.858 1.00 42.31 C ATOM 885 CE2 TYR A 55 -8.053 12.755 13.259 1.00 1.31 C ATOM 886 CZ TYR A 55 -8.873 13.850 13.099 1.00 73.42 C ATOM 887 OH TYR A 55 -9.179 14.638 14.189 1.00 33.41 O ATOM 0 H TYR A 55 -6.387 10.278 7.712 1.00 3.42 H new ATOM 0 HA TYR A 55 -7.490 12.981 8.336 1.00 14.53 H new ATOM 0 HB2 TYR A 55 -8.854 11.065 9.228 1.00 1.03 H new ATOM 0 HB3 TYR A 55 -7.431 10.470 10.060 1.00 1.03 H new ATOM 0 HD1 TYR A 55 -9.492 13.609 9.801 1.00 5.12 H new ATOM 0 HD2 TYR A 55 -7.106 11.104 12.299 1.00 55.52 H new ATOM 0 HE1 TYR A 55 -10.033 15.019 11.737 1.00 42.31 H new ATOM 0 HE2 TYR A 55 -7.649 12.517 14.232 1.00 1.31 H new ATOM 0 HH TYR A 55 -8.734 14.281 14.986 1.00 33.41 H new ATOM 897 N GLY A 56 -4.618 12.156 8.404 1.00 25.14 N ATOM 898 CA GLY A 56 -3.255 12.210 8.894 1.00 41.31 C ATOM 899 C GLY A 56 -2.944 10.978 9.714 1.00 11.22 C ATOM 900 O GLY A 56 -2.406 11.062 10.817 1.00 25.25 O ATOM 0 H GLY A 56 -4.708 11.950 7.409 1.00 25.14 H new ATOM 0 HA2 GLY A 56 -2.562 12.282 8.055 1.00 41.31 H new ATOM 0 HA3 GLY A 56 -3.114 13.104 9.501 1.00 41.31 H new ATOM 904 N GLN A 57 -3.314 9.827 9.161 1.00 5.34 N ATOM 905 CA GLN A 57 -3.219 8.547 9.853 1.00 15.04 C ATOM 906 C GLN A 57 -2.590 7.504 8.931 1.00 14.23 C ATOM 907 O GLN A 57 -3.280 6.872 8.137 1.00 14.42 O ATOM 908 CB GLN A 57 -4.625 8.094 10.292 1.00 55.43 C ATOM 909 CG GLN A 57 -5.639 8.081 9.146 1.00 74.42 C ATOM 910 CD GLN A 57 -6.966 7.443 9.509 1.00 42.52 C ATOM 911 OE1 GLN A 57 -7.428 7.531 10.648 1.00 62.22 O ATOM 912 NE2 GLN A 57 -7.581 6.777 8.545 1.00 71.45 N ATOM 0 H GLN A 57 -3.690 9.756 8.215 1.00 5.34 H new ATOM 0 HA GLN A 57 -2.589 8.657 10.736 1.00 15.04 H new ATOM 0 HB2 GLN A 57 -4.560 7.095 10.722 1.00 55.43 H new ATOM 0 HB3 GLN A 57 -4.984 8.757 11.079 1.00 55.43 H new ATOM 0 HG2 GLN A 57 -5.817 9.106 8.819 1.00 74.42 H new ATOM 0 HG3 GLN A 57 -5.209 7.546 8.299 1.00 74.42 H new ATOM 0 HE21 GLN A 57 -7.166 6.727 7.615 1.00 71.45 H new ATOM 0 HE22 GLN A 57 -8.470 6.313 8.732 1.00 71.45 H new ATOM 921 N LEU A 58 -1.277 7.332 9.022 1.00 63.14 N ATOM 922 CA LEU A 58 -0.580 6.427 8.116 1.00 23.10 C ATOM 923 C LEU A 58 -0.948 4.975 8.439 1.00 34.54 C ATOM 924 O LEU A 58 -0.341 4.333 9.300 1.00 15.30 O ATOM 925 CB LEU A 58 0.942 6.664 8.170 1.00 1.31 C ATOM 926 CG LEU A 58 1.774 6.034 7.026 1.00 1.23 C ATOM 927 CD1 LEU A 58 2.174 4.596 7.348 1.00 71.40 C ATOM 928 CD2 LEU A 58 1.010 6.093 5.702 1.00 44.04 C ATOM 0 H LEU A 58 -0.680 7.800 9.704 1.00 63.14 H new ATOM 0 HA LEU A 58 -0.897 6.631 7.093 1.00 23.10 H new ATOM 0 HB2 LEU A 58 1.121 7.739 8.172 1.00 1.31 H new ATOM 0 HB3 LEU A 58 1.315 6.277 9.118 1.00 1.31 H new ATOM 0 HG LEU A 58 2.688 6.620 6.927 1.00 1.23 H new ATOM 0 HD11 LEU A 58 2.756 4.187 6.523 1.00 71.40 H new ATOM 0 HD12 LEU A 58 2.774 4.580 8.258 1.00 71.40 H new ATOM 0 HD13 LEU A 58 1.278 3.993 7.494 1.00 71.40 H new ATOM 0 HD21 LEU A 58 1.614 5.645 4.913 1.00 44.04 H new ATOM 0 HD22 LEU A 58 0.073 5.544 5.798 1.00 44.04 H new ATOM 0 HD23 LEU A 58 0.798 7.132 5.450 1.00 44.04 H new ATOM 940 N ARG A 59 -1.983 4.494 7.758 1.00 14.12 N ATOM 941 CA ARG A 59 -2.504 3.144 7.947 1.00 15.11 C ATOM 942 C ARG A 59 -2.436 2.365 6.637 1.00 20.21 C ATOM 943 O ARG A 59 -2.879 2.854 5.599 1.00 44.35 O ATOM 944 CB ARG A 59 -3.960 3.217 8.436 1.00 51.34 C ATOM 945 CG ARG A 59 -4.117 3.717 9.872 1.00 5.22 C ATOM 946 CD ARG A 59 -5.538 4.202 10.161 1.00 61.44 C ATOM 947 NE ARG A 59 -6.565 3.301 9.625 1.00 32.13 N ATOM 948 CZ ARG A 59 -7.878 3.460 9.810 1.00 71.11 C ATOM 949 NH1 ARG A 59 -8.338 4.425 10.600 1.00 2.45 N ATOM 950 NH2 ARG A 59 -8.727 2.637 9.206 1.00 5.12 N ATOM 0 H ARG A 59 -2.488 5.033 7.055 1.00 14.12 H new ATOM 0 HA ARG A 59 -1.897 2.630 8.693 1.00 15.11 H new ATOM 0 HB2 ARG A 59 -4.522 3.874 7.772 1.00 51.34 H new ATOM 0 HB3 ARG A 59 -4.407 2.226 8.358 1.00 51.34 H new ATOM 0 HG2 ARG A 59 -3.860 2.915 10.564 1.00 5.22 H new ATOM 0 HG3 ARG A 59 -3.414 4.530 10.051 1.00 5.22 H new ATOM 0 HD2 ARG A 59 -5.672 4.299 11.238 1.00 61.44 H new ATOM 0 HD3 ARG A 59 -5.673 5.195 9.732 1.00 61.44 H new ATOM 0 HE ARG A 59 -6.255 2.500 9.075 1.00 32.13 H new ATOM 0 HH11 ARG A 59 -7.686 5.052 11.071 1.00 2.45 H new ATOM 0 HH12 ARG A 59 -9.343 4.538 10.735 1.00 2.45 H new ATOM 0 HH21 ARG A 59 -8.375 1.891 8.606 1.00 5.12 H new ATOM 0 HH22 ARG A 59 -9.732 2.751 9.342 1.00 5.12 H new ATOM 964 N LEU A 60 -1.874 1.157 6.688 1.00 53.40 N ATOM 965 CA LEU A 60 -1.777 0.295 5.510 1.00 63.43 C ATOM 966 C LEU A 60 -2.913 -0.724 5.510 1.00 20.54 C ATOM 967 O LEU A 60 -2.961 -1.619 6.360 1.00 2.34 O ATOM 968 CB LEU A 60 -0.418 -0.434 5.466 1.00 14.14 C ATOM 969 CG LEU A 60 0.781 0.402 4.980 1.00 24.34 C ATOM 970 CD1 LEU A 60 0.987 1.641 5.845 1.00 65.31 C ATOM 971 CD2 LEU A 60 2.047 -0.449 4.956 1.00 60.35 C ATOM 0 H LEU A 60 -1.478 0.752 7.536 1.00 53.40 H new ATOM 0 HA LEU A 60 -1.857 0.924 4.623 1.00 63.43 H new ATOM 0 HB2 LEU A 60 -0.195 -0.806 6.466 1.00 14.14 H new ATOM 0 HB3 LEU A 60 -0.516 -1.304 4.817 1.00 14.14 H new ATOM 0 HG LEU A 60 0.563 0.739 3.967 1.00 24.34 H new ATOM 0 HD11 LEU A 60 1.841 2.207 5.473 1.00 65.31 H new ATOM 0 HD12 LEU A 60 0.094 2.265 5.806 1.00 65.31 H new ATOM 0 HD13 LEU A 60 1.173 1.338 6.875 1.00 65.31 H new ATOM 0 HD21 LEU A 60 2.885 0.156 4.610 1.00 60.35 H new ATOM 0 HD22 LEU A 60 2.256 -0.819 5.960 1.00 60.35 H new ATOM 0 HD23 LEU A 60 1.906 -1.293 4.281 1.00 60.35 H new ATOM 983 N LYS A 61 -3.824 -0.581 4.556 1.00 43.42 N ATOM 984 CA LYS A 61 -4.968 -1.476 4.432 1.00 44.12 C ATOM 985 C LYS A 61 -4.760 -2.392 3.222 1.00 74.30 C ATOM 986 O LYS A 61 -4.423 -1.925 2.130 1.00 53.23 O ATOM 987 CB LYS A 61 -6.267 -0.654 4.288 1.00 72.12 C ATOM 988 CG LYS A 61 -7.521 -1.351 4.830 1.00 65.45 C ATOM 989 CD LYS A 61 -7.844 -2.634 4.073 1.00 52.21 C ATOM 990 CE LYS A 61 -9.014 -3.389 4.689 1.00 70.24 C ATOM 991 NZ LYS A 61 -9.232 -4.694 4.010 1.00 53.52 N ATOM 0 H LYS A 61 -3.792 0.154 3.850 1.00 43.42 H new ATOM 0 HA LYS A 61 -5.057 -2.091 5.327 1.00 44.12 H new ATOM 0 HB2 LYS A 61 -6.141 0.296 4.807 1.00 72.12 H new ATOM 0 HB3 LYS A 61 -6.421 -0.423 3.234 1.00 72.12 H new ATOM 0 HG2 LYS A 61 -7.378 -1.581 5.886 1.00 65.45 H new ATOM 0 HG3 LYS A 61 -8.369 -0.670 4.764 1.00 65.45 H new ATOM 0 HD2 LYS A 61 -8.076 -2.393 3.036 1.00 52.21 H new ATOM 0 HD3 LYS A 61 -6.965 -3.278 4.062 1.00 52.21 H new ATOM 0 HE2 LYS A 61 -8.824 -3.555 5.749 1.00 70.24 H new ATOM 0 HE3 LYS A 61 -9.918 -2.784 4.618 1.00 70.24 H new ATOM 0 HZ1 LYS A 61 -10.211 -4.745 3.662 1.00 53.52 H new ATOM 0 HZ2 LYS A 61 -8.575 -4.783 3.209 1.00 53.52 H new ATOM 0 HZ3 LYS A 61 -9.063 -5.468 4.683 1.00 53.52 H new ATOM 1005 N GLY A 62 -4.940 -3.692 3.426 1.00 15.21 N ATOM 1006 CA GLY A 62 -4.779 -4.652 2.350 1.00 21.15 C ATOM 1007 C GLY A 62 -6.095 -4.959 1.657 1.00 32.41 C ATOM 1008 O GLY A 62 -7.133 -5.089 2.316 1.00 72.30 O ATOM 0 H GLY A 62 -5.197 -4.101 4.325 1.00 15.21 H new ATOM 0 HA2 GLY A 62 -4.068 -4.263 1.621 1.00 21.15 H new ATOM 0 HA3 GLY A 62 -4.355 -5.574 2.748 1.00 21.15 H new ATOM 1012 N PHE A 63 -6.057 -5.078 0.334 1.00 11.41 N ATOM 1013 CA PHE A 63 -7.253 -5.369 -0.460 1.00 14.32 C ATOM 1014 C PHE A 63 -6.995 -6.544 -1.394 1.00 34.00 C ATOM 1015 O PHE A 63 -5.846 -6.882 -1.667 1.00 24.33 O ATOM 1016 CB PHE A 63 -7.668 -4.142 -1.284 1.00 34.23 C ATOM 1017 CG PHE A 63 -8.025 -2.941 -0.448 1.00 40.22 C ATOM 1018 CD1 PHE A 63 -9.308 -2.789 0.059 1.00 23.21 C ATOM 1019 CD2 PHE A 63 -7.082 -1.964 -0.170 1.00 32.34 C ATOM 1020 CE1 PHE A 63 -9.640 -1.690 0.823 1.00 30.23 C ATOM 1021 CE2 PHE A 63 -7.410 -0.863 0.596 1.00 24.43 C ATOM 1022 CZ PHE A 63 -8.690 -0.727 1.093 1.00 51.44 C ATOM 0 H PHE A 63 -5.205 -4.977 -0.218 1.00 11.41 H new ATOM 0 HA PHE A 63 -8.061 -5.625 0.226 1.00 14.32 H new ATOM 0 HB2 PHE A 63 -6.853 -3.875 -1.957 1.00 34.23 H new ATOM 0 HB3 PHE A 63 -8.522 -4.406 -1.907 1.00 34.23 H new ATOM 0 HD1 PHE A 63 -10.056 -3.541 -0.147 1.00 23.21 H new ATOM 0 HD2 PHE A 63 -6.079 -2.065 -0.557 1.00 32.34 H new ATOM 0 HE1 PHE A 63 -10.643 -1.583 1.210 1.00 30.23 H new ATOM 0 HE2 PHE A 63 -6.666 -0.109 0.806 1.00 24.43 H new ATOM 0 HZ PHE A 63 -8.948 0.133 1.693 1.00 51.44 H new ATOM 1032 N PHE A 64 -8.067 -7.147 -1.894 1.00 44.10 N ATOM 1033 CA PHE A 64 -7.961 -8.264 -2.827 1.00 4.04 C ATOM 1034 C PHE A 64 -8.250 -7.779 -4.242 1.00 43.02 C ATOM 1035 O PHE A 64 -8.788 -6.681 -4.431 1.00 45.23 O ATOM 1036 CB PHE A 64 -8.937 -9.388 -2.445 1.00 1.35 C ATOM 1037 CG PHE A 64 -8.627 -10.051 -1.126 1.00 40.15 C ATOM 1038 CD1 PHE A 64 -7.607 -10.988 -1.028 1.00 3.11 C ATOM 1039 CD2 PHE A 64 -9.356 -9.741 0.015 1.00 0.01 C ATOM 1040 CE1 PHE A 64 -7.323 -11.601 0.176 1.00 1.24 C ATOM 1041 CE2 PHE A 64 -9.073 -10.351 1.222 1.00 31.54 C ATOM 1042 CZ PHE A 64 -8.056 -11.283 1.302 1.00 71.10 C ATOM 0 H PHE A 64 -9.025 -6.880 -1.668 1.00 44.10 H new ATOM 0 HA PHE A 64 -6.947 -8.662 -2.781 1.00 4.04 H new ATOM 0 HB2 PHE A 64 -9.947 -8.980 -2.406 1.00 1.35 H new ATOM 0 HB3 PHE A 64 -8.929 -10.144 -3.230 1.00 1.35 H new ATOM 0 HD1 PHE A 64 -7.029 -11.240 -1.904 1.00 3.11 H new ATOM 0 HD2 PHE A 64 -10.153 -9.015 -0.042 1.00 0.01 H new ATOM 0 HE1 PHE A 64 -6.528 -12.329 0.237 1.00 1.24 H new ATOM 0 HE2 PHE A 64 -9.646 -10.100 2.102 1.00 31.54 H new ATOM 0 HZ PHE A 64 -7.835 -11.762 2.244 1.00 71.10 H new ATOM 1052 N ASP A 65 -7.899 -8.592 -5.230 1.00 20.44 N ATOM 1053 CA ASP A 65 -8.058 -8.211 -6.627 1.00 53.23 C ATOM 1054 C ASP A 65 -9.535 -8.197 -7.022 1.00 61.42 C ATOM 1055 O ASP A 65 -10.246 -9.195 -6.858 1.00 52.12 O ATOM 1056 CB ASP A 65 -7.274 -9.163 -7.552 1.00 74.41 C ATOM 1057 CG ASP A 65 -7.848 -10.576 -7.593 1.00 30.20 C ATOM 1058 OD1 ASP A 65 -7.620 -11.342 -6.635 1.00 50.31 O ATOM 1059 OD2 ASP A 65 -8.536 -10.924 -8.578 1.00 44.24 O ATOM 0 H ASP A 65 -7.502 -9.521 -5.089 1.00 20.44 H new ATOM 0 HA ASP A 65 -7.655 -7.205 -6.743 1.00 53.23 H new ATOM 0 HB2 ASP A 65 -7.266 -8.752 -8.562 1.00 74.41 H new ATOM 0 HB3 ASP A 65 -6.237 -9.209 -7.219 1.00 74.41 H new ATOM 1064 N ASP A 66 -10.000 -7.048 -7.500 1.00 64.01 N ATOM 1065 CA ASP A 66 -11.332 -6.941 -8.088 1.00 12.01 C ATOM 1066 C ASP A 66 -11.219 -7.055 -9.597 1.00 71.41 C ATOM 1067 O ASP A 66 -11.839 -7.920 -10.217 1.00 50.05 O ATOM 1068 CB ASP A 66 -12.005 -5.609 -7.718 1.00 4.43 C ATOM 1069 CG ASP A 66 -12.477 -5.560 -6.275 1.00 60.04 C ATOM 1070 OD1 ASP A 66 -13.296 -6.417 -5.882 1.00 11.44 O ATOM 1071 OD2 ASP A 66 -12.060 -4.641 -5.537 1.00 61.41 O ATOM 0 H ASP A 66 -9.473 -6.175 -7.492 1.00 64.01 H new ATOM 0 HA ASP A 66 -11.949 -7.748 -7.693 1.00 12.01 H new ATOM 0 HB2 ASP A 66 -11.303 -4.794 -7.892 1.00 4.43 H new ATOM 0 HB3 ASP A 66 -12.856 -5.443 -8.378 1.00 4.43 H new ATOM 1205 N THR A 75 -3.729 -2.257 -12.915 1.00 1.14 N ATOM 1206 CA THR A 75 -4.163 -2.187 -11.531 1.00 2.42 C ATOM 1207 C THR A 75 -5.524 -1.500 -11.419 1.00 0.04 C ATOM 1208 O THR A 75 -5.651 -0.305 -11.709 1.00 5.15 O ATOM 1209 CB THR A 75 -3.126 -1.410 -10.693 1.00 75.20 C ATOM 1210 OG1 THR A 75 -2.887 -0.121 -11.281 1.00 13.22 O ATOM 1211 CG2 THR A 75 -1.816 -2.179 -10.610 1.00 14.34 C ATOM 0 HA THR A 75 -4.254 -3.205 -11.152 1.00 2.42 H new ATOM 0 HB THR A 75 -3.525 -1.285 -9.686 1.00 75.20 H new ATOM 0 HG1 THR A 75 -3.700 0.189 -11.732 1.00 13.22 H new ATOM 0 HG21 THR A 75 -1.099 -1.613 -10.015 1.00 14.34 H new ATOM 0 HG22 THR A 75 -1.992 -3.148 -10.142 1.00 14.34 H new ATOM 0 HG23 THR A 75 -1.417 -2.328 -11.613 1.00 14.34 H new ATOM 1219 N LYS A 76 -6.539 -2.258 -11.022 1.00 11.41 N ATOM 1220 CA LYS A 76 -7.873 -1.713 -10.798 1.00 51.33 C ATOM 1221 C LYS A 76 -8.582 -2.456 -9.664 1.00 61.22 C ATOM 1222 O LYS A 76 -8.781 -3.674 -9.721 1.00 3.12 O ATOM 1223 CB LYS A 76 -8.705 -1.757 -12.095 1.00 53.22 C ATOM 1224 CG LYS A 76 -8.577 -0.500 -12.952 1.00 4.13 C ATOM 1225 CD LYS A 76 -9.063 0.743 -12.202 1.00 62.32 C ATOM 1226 CE LYS A 76 -8.927 2.007 -13.040 1.00 71.11 C ATOM 1227 NZ LYS A 76 -7.511 2.285 -13.399 1.00 12.01 N ATOM 0 H LYS A 76 -6.462 -3.260 -10.847 1.00 11.41 H new ATOM 0 HA LYS A 76 -7.769 -0.670 -10.500 1.00 51.33 H new ATOM 0 HB2 LYS A 76 -8.396 -2.620 -12.684 1.00 53.22 H new ATOM 0 HB3 LYS A 76 -9.754 -1.905 -11.838 1.00 53.22 H new ATOM 0 HG2 LYS A 76 -7.537 -0.364 -13.247 1.00 4.13 H new ATOM 0 HG3 LYS A 76 -9.155 -0.623 -13.868 1.00 4.13 H new ATOM 0 HD2 LYS A 76 -10.106 0.609 -11.916 1.00 62.32 H new ATOM 0 HD3 LYS A 76 -8.492 0.856 -11.280 1.00 62.32 H new ATOM 0 HE2 LYS A 76 -9.519 1.905 -13.950 1.00 71.11 H new ATOM 0 HE3 LYS A 76 -9.335 2.854 -12.488 1.00 71.11 H new ATOM 0 HZ1 LYS A 76 -7.434 3.246 -13.788 1.00 12.01 H new ATOM 0 HZ2 LYS A 76 -6.916 2.207 -12.550 1.00 12.01 H new ATOM 0 HZ3 LYS A 76 -7.192 1.597 -14.110 1.00 12.01 H new ATOM 1241 N ILE A 77 -8.935 -1.710 -8.621 1.00 4.03 N ATOM 1242 CA ILE A 77 -9.643 -2.252 -7.468 1.00 33.40 C ATOM 1243 C ILE A 77 -10.986 -1.534 -7.312 1.00 14.13 C ATOM 1244 O ILE A 77 -11.042 -0.301 -7.285 1.00 73.01 O ATOM 1245 CB ILE A 77 -8.807 -2.093 -6.168 1.00 42.40 C ATOM 1246 CG1 ILE A 77 -7.413 -2.720 -6.338 1.00 75.12 C ATOM 1247 CG2 ILE A 77 -9.532 -2.717 -4.978 1.00 30.22 C ATOM 1248 CD1 ILE A 77 -6.507 -2.538 -5.132 1.00 2.13 C ATOM 0 H ILE A 77 -8.737 -0.712 -8.553 1.00 4.03 H new ATOM 0 HA ILE A 77 -9.808 -3.316 -7.634 1.00 33.40 H new ATOM 0 HB ILE A 77 -8.684 -1.028 -5.973 1.00 42.40 H new ATOM 0 HG12 ILE A 77 -7.526 -3.785 -6.538 1.00 75.12 H new ATOM 0 HG13 ILE A 77 -6.932 -2.281 -7.212 1.00 75.12 H new ATOM 0 HG21 ILE A 77 -8.928 -2.594 -4.079 1.00 30.22 H new ATOM 0 HG22 ILE A 77 -10.494 -2.224 -4.839 1.00 30.22 H new ATOM 0 HG23 ILE A 77 -9.692 -3.779 -5.165 1.00 30.22 H new ATOM 0 HD11 ILE A 77 -5.543 -3.007 -5.327 1.00 2.13 H new ATOM 0 HD12 ILE A 77 -6.362 -1.474 -4.943 1.00 2.13 H new ATOM 0 HD13 ILE A 77 -6.966 -3.002 -4.259 1.00 2.13 H new ATOM 1260 N SER A 78 -12.060 -2.306 -7.206 1.00 75.31 N ATOM 1261 CA SER A 78 -13.410 -1.755 -7.176 1.00 34.23 C ATOM 1262 C SER A 78 -13.710 -1.152 -5.804 1.00 42.54 C ATOM 1263 O SER A 78 -14.153 -0.004 -5.697 1.00 4.32 O ATOM 1264 CB SER A 78 -14.427 -2.854 -7.517 1.00 53.43 C ATOM 1265 OG SER A 78 -15.716 -2.318 -7.771 1.00 22.15 O ATOM 0 H SER A 78 -12.022 -3.323 -7.139 1.00 75.31 H new ATOM 0 HA SER A 78 -13.486 -0.962 -7.920 1.00 34.23 H new ATOM 0 HB2 SER A 78 -14.085 -3.408 -8.391 1.00 53.43 H new ATOM 0 HB3 SER A 78 -14.485 -3.565 -6.692 1.00 53.43 H new ATOM 0 HG SER A 78 -16.336 -3.046 -7.986 1.00 22.15 H new ATOM 1271 N THR A 79 -13.438 -1.925 -4.753 1.00 3.43 N ATOM 1272 CA THR A 79 -13.707 -1.489 -3.384 1.00 14.34 C ATOM 1273 C THR A 79 -12.846 -0.274 -3.022 1.00 65.41 C ATOM 1274 O THR A 79 -13.220 0.534 -2.171 1.00 4.13 O ATOM 1275 CB THR A 79 -13.459 -2.635 -2.371 1.00 62.20 C ATOM 1276 OG1 THR A 79 -13.866 -2.236 -1.053 1.00 3.43 O ATOM 1277 CG2 THR A 79 -11.988 -3.042 -2.346 1.00 22.32 C ATOM 0 H THR A 79 -13.031 -2.858 -4.824 1.00 3.43 H new ATOM 0 HA THR A 79 -14.758 -1.205 -3.330 1.00 14.34 H new ATOM 0 HB THR A 79 -14.052 -3.492 -2.691 1.00 62.20 H new ATOM 0 HG1 THR A 79 -13.705 -2.970 -0.424 1.00 3.43 H new ATOM 0 HG21 THR A 79 -11.846 -3.848 -1.626 1.00 22.32 H new ATOM 0 HG22 THR A 79 -11.688 -3.383 -3.337 1.00 22.32 H new ATOM 0 HG23 THR A 79 -11.378 -2.186 -2.057 1.00 22.32 H new ATOM 1285 N LEU A 80 -11.709 -0.136 -3.704 1.00 14.21 N ATOM 1286 CA LEU A 80 -10.782 0.965 -3.453 1.00 51.43 C ATOM 1287 C LEU A 80 -11.465 2.305 -3.705 1.00 74.30 C ATOM 1288 O LEU A 80 -11.205 3.283 -3.005 1.00 23.02 O ATOM 1289 CB LEU A 80 -9.536 0.824 -4.339 1.00 32.21 C ATOM 1290 CG LEU A 80 -8.432 1.870 -4.109 1.00 31.45 C ATOM 1291 CD1 LEU A 80 -7.983 1.869 -2.648 1.00 64.25 C ATOM 1292 CD2 LEU A 80 -7.245 1.616 -5.040 1.00 10.40 C ATOM 0 H LEU A 80 -11.408 -0.777 -4.438 1.00 14.21 H new ATOM 0 HA LEU A 80 -10.473 0.927 -2.409 1.00 51.43 H new ATOM 0 HB2 LEU A 80 -9.111 -0.167 -4.181 1.00 32.21 H new ATOM 0 HB3 LEU A 80 -9.847 0.875 -5.382 1.00 32.21 H new ATOM 0 HG LEU A 80 -8.841 2.854 -4.339 1.00 31.45 H new ATOM 0 HD11 LEU A 80 -7.202 2.616 -2.507 1.00 64.25 H new ATOM 0 HD12 LEU A 80 -8.832 2.106 -2.006 1.00 64.25 H new ATOM 0 HD13 LEU A 80 -7.595 0.884 -2.387 1.00 64.25 H new ATOM 0 HD21 LEU A 80 -6.475 2.367 -4.861 1.00 10.40 H new ATOM 0 HD22 LEU A 80 -6.836 0.624 -4.846 1.00 10.40 H new ATOM 0 HD23 LEU A 80 -7.576 1.676 -6.077 1.00 10.40 H new ATOM 1304 N ASP A 81 -12.354 2.332 -4.696 1.00 25.05 N ATOM 1305 CA ASP A 81 -13.104 3.543 -5.031 1.00 12.42 C ATOM 1306 C ASP A 81 -13.935 3.990 -3.828 1.00 24.31 C ATOM 1307 O ASP A 81 -13.945 5.168 -3.459 1.00 21.42 O ATOM 1308 CB ASP A 81 -14.018 3.285 -6.240 1.00 72.22 C ATOM 1309 CG ASP A 81 -14.743 4.538 -6.712 1.00 2.31 C ATOM 1310 OD1 ASP A 81 -15.842 4.834 -6.195 1.00 43.24 O ATOM 1311 OD2 ASP A 81 -14.225 5.225 -7.620 1.00 72.10 O ATOM 0 H ASP A 81 -12.574 1.527 -5.283 1.00 25.05 H new ATOM 0 HA ASP A 81 -12.400 4.334 -5.289 1.00 12.42 H new ATOM 0 HB2 ASP A 81 -13.422 2.885 -7.061 1.00 72.22 H new ATOM 0 HB3 ASP A 81 -14.752 2.523 -5.978 1.00 72.22 H new ATOM 1316 N GLU A 82 -14.612 3.024 -3.212 1.00 5.20 N ATOM 1317 CA GLU A 82 -15.434 3.271 -2.030 1.00 11.04 C ATOM 1318 C GLU A 82 -14.553 3.701 -0.858 1.00 61.14 C ATOM 1319 O GLU A 82 -14.886 4.627 -0.116 1.00 15.40 O ATOM 1320 CB GLU A 82 -16.206 1.993 -1.658 1.00 54.23 C ATOM 1321 CG GLU A 82 -17.094 1.453 -2.777 1.00 61.52 C ATOM 1322 CD GLU A 82 -18.378 2.250 -2.966 1.00 50.34 C ATOM 1323 OE1 GLU A 82 -18.315 3.404 -3.434 1.00 33.34 O ATOM 1324 OE2 GLU A 82 -19.464 1.713 -2.656 1.00 70.22 O ATOM 0 H GLU A 82 -14.607 2.051 -3.517 1.00 5.20 H new ATOM 0 HA GLU A 82 -16.142 4.069 -2.252 1.00 11.04 H new ATOM 0 HB2 GLU A 82 -15.492 1.221 -1.371 1.00 54.23 H new ATOM 0 HB3 GLU A 82 -16.825 2.197 -0.784 1.00 54.23 H new ATOM 0 HG2 GLU A 82 -16.532 1.456 -3.711 1.00 61.52 H new ATOM 0 HG3 GLU A 82 -17.347 0.415 -2.561 1.00 61.52 H new ATOM 1331 N TYR A 83 -13.421 3.016 -0.720 1.00 75.20 N ATOM 1332 CA TYR A 83 -12.481 3.243 0.374 1.00 30.24 C ATOM 1333 C TYR A 83 -11.936 4.674 0.345 1.00 22.12 C ATOM 1334 O TYR A 83 -12.053 5.411 1.324 1.00 3.42 O ATOM 1335 CB TYR A 83 -11.333 2.228 0.276 1.00 1.00 C ATOM 1336 CG TYR A 83 -10.311 2.307 1.399 1.00 43.21 C ATOM 1337 CD1 TYR A 83 -10.568 1.744 2.646 1.00 2.24 C ATOM 1338 CD2 TYR A 83 -9.076 2.922 1.200 1.00 32.14 C ATOM 1339 CE1 TYR A 83 -9.628 1.791 3.659 1.00 44.43 C ATOM 1340 CE2 TYR A 83 -8.134 2.979 2.212 1.00 23.20 C ATOM 1341 CZ TYR A 83 -8.414 2.411 3.439 1.00 75.02 C ATOM 1342 OH TYR A 83 -7.478 2.448 4.448 1.00 52.04 O ATOM 0 H TYR A 83 -13.128 2.284 -1.367 1.00 75.20 H new ATOM 0 HA TYR A 83 -13.004 3.109 1.321 1.00 30.24 H new ATOM 0 HB2 TYR A 83 -11.756 1.224 0.259 1.00 1.00 H new ATOM 0 HB3 TYR A 83 -10.819 2.373 -0.674 1.00 1.00 H new ATOM 0 HD1 TYR A 83 -11.518 1.262 2.825 1.00 2.24 H new ATOM 0 HD2 TYR A 83 -8.851 3.361 0.240 1.00 32.14 H new ATOM 0 HE1 TYR A 83 -9.843 1.344 4.619 1.00 44.43 H new ATOM 0 HE2 TYR A 83 -7.185 3.465 2.043 1.00 23.20 H new ATOM 0 HH TYR A 83 -7.165 3.368 4.570 1.00 52.04 H new ATOM 1352 N ILE A 84 -11.354 5.061 -0.787 1.00 12.22 N ATOM 1353 CA ILE A 84 -10.758 6.389 -0.934 1.00 32.02 C ATOM 1354 C ILE A 84 -11.805 7.480 -0.718 1.00 72.51 C ATOM 1355 O ILE A 84 -11.520 8.518 -0.115 1.00 74.51 O ATOM 1356 CB ILE A 84 -10.107 6.565 -2.332 1.00 21.13 C ATOM 1357 CG1 ILE A 84 -8.996 5.520 -2.549 1.00 31.51 C ATOM 1358 CG2 ILE A 84 -9.554 7.982 -2.506 1.00 60.43 C ATOM 1359 CD1 ILE A 84 -7.885 5.575 -1.519 1.00 70.42 C ATOM 0 H ILE A 84 -11.282 4.474 -1.618 1.00 12.22 H new ATOM 0 HA ILE A 84 -9.982 6.481 -0.174 1.00 32.02 H new ATOM 0 HB ILE A 84 -10.880 6.409 -3.085 1.00 21.13 H new ATOM 0 HG12 ILE A 84 -9.440 4.525 -2.536 1.00 31.51 H new ATOM 0 HG13 ILE A 84 -8.566 5.664 -3.540 1.00 31.51 H new ATOM 0 HG21 ILE A 84 -9.104 8.078 -3.494 1.00 60.43 H new ATOM 0 HG22 ILE A 84 -10.364 8.704 -2.405 1.00 60.43 H new ATOM 0 HG23 ILE A 84 -8.800 8.174 -1.743 1.00 60.43 H new ATOM 0 HD11 ILE A 84 -7.143 4.808 -1.742 1.00 70.42 H new ATOM 0 HD12 ILE A 84 -7.412 6.556 -1.546 1.00 70.42 H new ATOM 0 HD13 ILE A 84 -8.300 5.400 -0.526 1.00 70.42 H new ATOM 1371 N TYR A 85 -13.023 7.220 -1.188 1.00 20.30 N ATOM 1372 CA TYR A 85 -14.125 8.178 -1.084 1.00 75.35 C ATOM 1373 C TYR A 85 -14.449 8.503 0.381 1.00 4.04 C ATOM 1374 O TYR A 85 -15.024 9.552 0.684 1.00 44.31 O ATOM 1375 CB TYR A 85 -15.366 7.619 -1.798 1.00 72.04 C ATOM 1376 CG TYR A 85 -16.532 8.592 -1.872 1.00 64.35 C ATOM 1377 CD1 TYR A 85 -16.469 9.717 -2.688 1.00 74.11 C ATOM 1378 CD2 TYR A 85 -17.690 8.385 -1.129 1.00 1.24 C ATOM 1379 CE1 TYR A 85 -17.524 10.605 -2.762 1.00 63.42 C ATOM 1380 CE2 TYR A 85 -18.748 9.271 -1.197 1.00 34.40 C ATOM 1381 CZ TYR A 85 -18.660 10.379 -2.016 1.00 35.12 C ATOM 1382 OH TYR A 85 -19.714 11.264 -2.087 1.00 34.31 O ATOM 0 H TYR A 85 -13.275 6.346 -1.649 1.00 20.30 H new ATOM 0 HA TYR A 85 -13.819 9.107 -1.566 1.00 75.35 H new ATOM 0 HB2 TYR A 85 -15.088 7.325 -2.810 1.00 72.04 H new ATOM 0 HB3 TYR A 85 -15.693 6.716 -1.282 1.00 72.04 H new ATOM 0 HD1 TYR A 85 -15.580 9.899 -3.274 1.00 74.11 H new ATOM 0 HD2 TYR A 85 -17.763 7.518 -0.489 1.00 1.24 H new ATOM 0 HE1 TYR A 85 -17.459 11.473 -3.402 1.00 63.42 H new ATOM 0 HE2 TYR A 85 -19.639 9.098 -0.612 1.00 34.40 H new ATOM 0 HH TYR A 85 -20.438 10.959 -1.501 1.00 34.31 H new ATOM 1392 N GLU A 86 -14.076 7.602 1.285 1.00 32.21 N ATOM 1393 CA GLU A 86 -14.334 7.784 2.712 1.00 12.23 C ATOM 1394 C GLU A 86 -13.291 8.699 3.350 1.00 64.10 C ATOM 1395 O GLU A 86 -13.560 9.353 4.360 1.00 15.25 O ATOM 1396 CB GLU A 86 -14.345 6.423 3.426 1.00 54.25 C ATOM 1397 CG GLU A 86 -15.440 5.482 2.939 1.00 61.21 C ATOM 1398 CD GLU A 86 -16.837 6.046 3.152 1.00 4.43 C ATOM 1399 OE1 GLU A 86 -17.396 5.857 4.252 1.00 20.11 O ATOM 1400 OE2 GLU A 86 -17.388 6.669 2.219 1.00 35.00 O ATOM 0 H GLU A 86 -13.592 6.734 1.054 1.00 32.21 H new ATOM 0 HA GLU A 86 -15.311 8.255 2.820 1.00 12.23 H new ATOM 0 HB2 GLU A 86 -13.377 5.942 3.286 1.00 54.25 H new ATOM 0 HB3 GLU A 86 -14.468 6.586 4.497 1.00 54.25 H new ATOM 0 HG2 GLU A 86 -15.293 5.278 1.878 1.00 61.21 H new ATOM 0 HG3 GLU A 86 -15.354 4.529 3.462 1.00 61.21 H new ATOM 1407 N TYR A 87 -12.108 8.755 2.751 1.00 41.02 N ATOM 1408 CA TYR A 87 -10.989 9.499 3.330 1.00 42.52 C ATOM 1409 C TYR A 87 -10.699 10.777 2.548 1.00 75.15 C ATOM 1410 O TYR A 87 -10.804 11.884 3.083 1.00 62.54 O ATOM 1411 CB TYR A 87 -9.726 8.629 3.369 1.00 30.10 C ATOM 1412 CG TYR A 87 -9.843 7.399 4.247 1.00 1.30 C ATOM 1413 CD1 TYR A 87 -9.591 7.466 5.614 1.00 63.44 C ATOM 1414 CD2 TYR A 87 -10.195 6.169 3.708 1.00 63.11 C ATOM 1415 CE1 TYR A 87 -9.680 6.340 6.413 1.00 34.21 C ATOM 1416 CE2 TYR A 87 -10.292 5.043 4.499 1.00 71.33 C ATOM 1417 CZ TYR A 87 -10.033 5.131 5.850 1.00 62.54 C ATOM 1418 OH TYR A 87 -10.106 4.000 6.635 1.00 41.14 O ATOM 0 H TYR A 87 -11.896 8.296 1.865 1.00 41.02 H new ATOM 0 HA TYR A 87 -11.275 9.773 4.346 1.00 42.52 H new ATOM 0 HB2 TYR A 87 -9.484 8.315 2.354 1.00 30.10 H new ATOM 0 HB3 TYR A 87 -8.892 9.235 3.722 1.00 30.10 H new ATOM 0 HD1 TYR A 87 -9.321 8.413 6.059 1.00 63.44 H new ATOM 0 HD2 TYR A 87 -10.397 6.092 2.650 1.00 63.11 H new ATOM 0 HE1 TYR A 87 -9.474 6.407 7.471 1.00 34.21 H new ATOM 0 HE2 TYR A 87 -10.570 4.096 4.061 1.00 71.33 H new ATOM 0 HH TYR A 87 -10.369 3.235 6.082 1.00 41.14 H new ATOM 1428 N CYS A 88 -10.330 10.618 1.284 1.00 21.40 N ATOM 1429 CA CYS A 88 -9.826 11.728 0.487 1.00 52.34 C ATOM 1430 C CYS A 88 -10.947 12.462 -0.247 1.00 60.50 C ATOM 1431 O CYS A 88 -11.431 11.999 -1.281 1.00 20.12 O ATOM 1432 CB CYS A 88 -8.779 11.225 -0.519 1.00 60.53 C ATOM 1433 SG CYS A 88 -7.368 10.329 0.226 1.00 31.34 S ATOM 0 H CYS A 88 -10.371 9.728 0.787 1.00 21.40 H new ATOM 0 HA CYS A 88 -9.362 12.438 1.172 1.00 52.34 H new ATOM 0 HB2 CYS A 88 -9.271 10.568 -1.236 1.00 60.53 H new ATOM 0 HB3 CYS A 88 -8.395 12.077 -1.079 1.00 60.53 H new ATOM 1438 N ASN A 89 -11.363 13.602 0.301 1.00 25.22 N ATOM 1439 CA ASN A 89 -12.298 14.491 -0.389 1.00 72.11 C ATOM 1440 C ASN A 89 -11.508 15.550 -1.156 1.00 3.14 C ATOM 1441 O ASN A 89 -11.802 15.856 -2.315 1.00 71.24 O ATOM 1442 CB ASN A 89 -13.264 15.151 0.608 1.00 20.11 C ATOM 1443 CG ASN A 89 -14.265 16.080 -0.068 1.00 71.25 C ATOM 1444 OD1 ASN A 89 -14.616 15.898 -1.233 1.00 15.22 O ATOM 1445 ND2 ASN A 89 -14.741 17.079 0.662 1.00 54.25 N ATOM 0 H ASN A 89 -11.068 13.932 1.220 1.00 25.22 H new ATOM 0 HA ASN A 89 -12.896 13.908 -1.089 1.00 72.11 H new ATOM 0 HB2 ASN A 89 -13.804 14.376 1.151 1.00 20.11 H new ATOM 0 HB3 ASN A 89 -12.691 15.715 1.344 1.00 20.11 H new ATOM 0 HD21 ASN A 89 -15.420 17.726 0.260 1.00 54.25 H new ATOM 0 HD22 ASN A 89 -14.428 17.201 1.625 1.00 54.25 H new ATOM 1452 N PHE A 90 -10.487 16.097 -0.498 1.00 74.53 N ATOM 1453 CA PHE A 90 -9.560 17.030 -1.131 1.00 51.23 C ATOM 1454 C PHE A 90 -8.204 16.978 -0.430 1.00 63.33 C ATOM 1455 O PHE A 90 -7.248 16.412 -0.962 1.00 11.51 O ATOM 1456 CB PHE A 90 -10.118 18.459 -1.119 1.00 1.12 C ATOM 1457 CG PHE A 90 -9.245 19.452 -1.849 1.00 70.10 C ATOM 1458 CD1 PHE A 90 -9.288 19.548 -3.233 1.00 60.24 C ATOM 1459 CD2 PHE A 90 -8.374 20.281 -1.153 1.00 72.33 C ATOM 1460 CE1 PHE A 90 -8.486 20.450 -3.904 1.00 65.30 C ATOM 1461 CE2 PHE A 90 -7.569 21.182 -1.823 1.00 42.21 C ATOM 1462 CZ PHE A 90 -7.626 21.267 -3.199 1.00 10.11 C ATOM 0 H PHE A 90 -10.281 15.907 0.483 1.00 74.53 H new ATOM 0 HA PHE A 90 -9.432 16.732 -2.171 1.00 51.23 H new ATOM 0 HB2 PHE A 90 -11.110 18.457 -1.572 1.00 1.12 H new ATOM 0 HB3 PHE A 90 -10.240 18.785 -0.086 1.00 1.12 H new ATOM 0 HD1 PHE A 90 -9.957 18.910 -3.792 1.00 60.24 H new ATOM 0 HD2 PHE A 90 -8.326 20.220 -0.076 1.00 72.33 H new ATOM 0 HE1 PHE A 90 -8.532 20.516 -4.981 1.00 65.30 H new ATOM 0 HE2 PHE A 90 -6.895 21.820 -1.270 1.00 42.21 H new ATOM 0 HZ PHE A 90 -6.998 21.972 -3.724 1.00 10.11 H new ATOM 1472 N GLY A 91 -8.133 17.557 0.766 1.00 70.41 N ATOM 1473 CA GLY A 91 -6.900 17.554 1.535 1.00 73.41 C ATOM 1474 C GLY A 91 -6.567 16.171 2.059 1.00 74.32 C ATOM 1475 O GLY A 91 -6.857 15.850 3.214 1.00 5.32 O ATOM 0 H GLY A 91 -8.914 18.032 1.219 1.00 70.41 H new ATOM 0 HA2 GLY A 91 -6.082 17.913 0.911 1.00 73.41 H new ATOM 0 HA3 GLY A 91 -6.991 18.247 2.371 1.00 73.41 H new ATOM 1479 N CYS A 92 -5.968 15.349 1.205 1.00 72.01 N ATOM 1480 CA CYS A 92 -5.691 13.959 1.538 1.00 74.10 C ATOM 1481 C CYS A 92 -4.573 13.403 0.656 1.00 51.31 C ATOM 1482 O CYS A 92 -4.183 14.029 -0.336 1.00 73.23 O ATOM 1483 CB CYS A 92 -6.971 13.141 1.355 1.00 2.10 C ATOM 1484 SG CYS A 92 -6.863 11.399 1.883 1.00 61.32 S ATOM 0 H CYS A 92 -5.664 15.625 0.271 1.00 72.01 H new ATOM 0 HA CYS A 92 -5.360 13.896 2.575 1.00 74.10 H new ATOM 0 HB2 CYS A 92 -7.774 13.623 1.912 1.00 2.10 H new ATOM 0 HB3 CYS A 92 -7.253 13.168 0.302 1.00 2.10 H new ATOM 1489 N ALA A 93 -4.066 12.231 1.020 1.00 63.04 N ATOM 1490 CA ALA A 93 -2.996 11.577 0.277 1.00 34.44 C ATOM 1491 C ALA A 93 -3.041 10.074 0.522 1.00 1.04 C ATOM 1492 O ALA A 93 -3.562 9.626 1.546 1.00 2.31 O ATOM 1493 CB ALA A 93 -1.638 12.153 0.674 1.00 32.10 C ATOM 0 H ALA A 93 -4.384 11.709 1.836 1.00 63.04 H new ATOM 0 HA ALA A 93 -3.139 11.761 -0.788 1.00 34.44 H new ATOM 0 HB1 ALA A 93 -0.851 11.653 0.109 1.00 32.10 H new ATOM 0 HB2 ALA A 93 -1.618 13.221 0.456 1.00 32.10 H new ATOM 0 HB3 ALA A 93 -1.474 11.997 1.740 1.00 32.10 H new ATOM 1499 N TYR A 94 -2.519 9.298 -0.425 1.00 64.51 N ATOM 1500 CA TYR A 94 -2.466 7.846 -0.290 1.00 11.41 C ATOM 1501 C TYR A 94 -1.522 7.253 -1.335 1.00 11.34 C ATOM 1502 O TYR A 94 -1.074 7.952 -2.247 1.00 31.13 O ATOM 1503 CB TYR A 94 -3.873 7.225 -0.419 1.00 22.33 C ATOM 1504 CG TYR A 94 -4.504 7.359 -1.797 1.00 64.43 C ATOM 1505 CD1 TYR A 94 -4.265 6.409 -2.789 1.00 1.13 C ATOM 1506 CD2 TYR A 94 -5.344 8.426 -2.105 1.00 11.12 C ATOM 1507 CE1 TYR A 94 -4.841 6.520 -4.040 1.00 21.32 C ATOM 1508 CE2 TYR A 94 -5.927 8.539 -3.356 1.00 73.14 C ATOM 1509 CZ TYR A 94 -5.671 7.584 -4.319 1.00 52.41 C ATOM 1510 OH TYR A 94 -6.245 7.688 -5.566 1.00 32.33 O ATOM 0 H TYR A 94 -2.126 9.653 -1.297 1.00 64.51 H new ATOM 0 HA TYR A 94 -2.085 7.610 0.703 1.00 11.41 H new ATOM 0 HB2 TYR A 94 -3.813 6.167 -0.163 1.00 22.33 H new ATOM 0 HB3 TYR A 94 -4.530 7.693 0.314 1.00 22.33 H new ATOM 0 HD1 TYR A 94 -3.618 5.571 -2.576 1.00 1.13 H new ATOM 0 HD2 TYR A 94 -5.544 9.178 -1.356 1.00 11.12 H new ATOM 0 HE1 TYR A 94 -4.641 5.775 -4.796 1.00 21.32 H new ATOM 0 HE2 TYR A 94 -6.579 9.371 -3.577 1.00 73.14 H new ATOM 0 HH TYR A 94 -6.804 8.492 -5.603 1.00 32.33 H new ATOM 1520 N PHE A 95 -1.236 5.963 -1.200 1.00 13.23 N ATOM 1521 CA PHE A 95 -0.361 5.255 -2.129 1.00 24.25 C ATOM 1522 C PHE A 95 -0.817 3.810 -2.295 1.00 2.21 C ATOM 1523 O PHE A 95 -1.325 3.203 -1.350 1.00 22.12 O ATOM 1524 CB PHE A 95 1.093 5.302 -1.638 1.00 1.50 C ATOM 1525 CG PHE A 95 1.285 4.814 -0.216 1.00 2.02 C ATOM 1526 CD1 PHE A 95 1.200 5.696 0.854 1.00 72.10 C ATOM 1527 CD2 PHE A 95 1.561 3.479 0.049 1.00 22.02 C ATOM 1528 CE1 PHE A 95 1.384 5.259 2.150 1.00 71.10 C ATOM 1529 CE2 PHE A 95 1.748 3.038 1.344 1.00 64.05 C ATOM 1530 CZ PHE A 95 1.661 3.927 2.396 1.00 63.33 C ATOM 0 H PHE A 95 -1.602 5.380 -0.447 1.00 13.23 H new ATOM 0 HA PHE A 95 -0.416 5.750 -3.099 1.00 24.25 H new ATOM 0 HB2 PHE A 95 1.709 4.698 -2.304 1.00 1.50 H new ATOM 0 HB3 PHE A 95 1.456 6.327 -1.710 1.00 1.50 H new ATOM 0 HD1 PHE A 95 0.987 6.738 0.669 1.00 72.10 H new ATOM 0 HD2 PHE A 95 1.630 2.777 -0.768 1.00 22.02 H new ATOM 0 HE1 PHE A 95 1.312 5.957 2.971 1.00 71.10 H new ATOM 0 HE2 PHE A 95 1.962 1.997 1.534 1.00 64.05 H new ATOM 0 HZ PHE A 95 1.809 3.583 3.409 1.00 63.33 H new ATOM 1540 N VAL A 96 -0.644 3.269 -3.504 1.00 24.31 N ATOM 1541 CA VAL A 96 -1.042 1.896 -3.809 1.00 14.33 C ATOM 1542 C VAL A 96 0.155 1.094 -4.328 1.00 61.01 C ATOM 1543 O VAL A 96 0.774 1.468 -5.333 1.00 22.30 O ATOM 1544 CB VAL A 96 -2.177 1.856 -4.871 1.00 44.52 C ATOM 1545 CG1 VAL A 96 -2.661 0.423 -5.106 1.00 43.55 C ATOM 1546 CG2 VAL A 96 -3.338 2.766 -4.468 1.00 50.42 C ATOM 0 H VAL A 96 -0.228 3.767 -4.291 1.00 24.31 H new ATOM 0 HA VAL A 96 -1.410 1.452 -2.884 1.00 14.33 H new ATOM 0 HB VAL A 96 -1.768 2.229 -5.810 1.00 44.52 H new ATOM 0 HG11 VAL A 96 -3.455 0.425 -5.853 1.00 43.55 H new ATOM 0 HG12 VAL A 96 -1.831 -0.188 -5.460 1.00 43.55 H new ATOM 0 HG13 VAL A 96 -3.043 0.010 -4.172 1.00 43.55 H new ATOM 0 HG21 VAL A 96 -4.118 2.719 -5.228 1.00 50.42 H new ATOM 0 HG22 VAL A 96 -3.743 2.437 -3.511 1.00 50.42 H new ATOM 0 HG23 VAL A 96 -2.981 3.792 -4.377 1.00 50.42 H new ATOM 1556 N LEU A 97 0.483 0.007 -3.634 1.00 71.12 N ATOM 1557 CA LEU A 97 1.557 -0.899 -4.044 1.00 0.45 C ATOM 1558 C LEU A 97 0.983 -2.245 -4.476 1.00 23.30 C ATOM 1559 O LEU A 97 0.053 -2.764 -3.852 1.00 24.11 O ATOM 1560 CB LEU A 97 2.576 -1.115 -2.906 1.00 73.42 C ATOM 1561 CG LEU A 97 3.652 -0.024 -2.746 1.00 40.45 C ATOM 1562 CD1 LEU A 97 3.037 1.310 -2.340 1.00 60.34 C ATOM 1563 CD2 LEU A 97 4.710 -0.461 -1.735 1.00 13.41 C ATOM 0 H LEU A 97 0.014 -0.272 -2.772 1.00 71.12 H new ATOM 0 HA LEU A 97 2.072 -0.437 -4.886 1.00 0.45 H new ATOM 0 HB2 LEU A 97 2.029 -1.199 -1.967 1.00 73.42 H new ATOM 0 HB3 LEU A 97 3.076 -2.069 -3.070 1.00 73.42 H new ATOM 0 HG LEU A 97 4.133 0.116 -3.714 1.00 40.45 H new ATOM 0 HD11 LEU A 97 3.824 2.057 -2.236 1.00 60.34 H new ATOM 0 HD12 LEU A 97 2.330 1.632 -3.104 1.00 60.34 H new ATOM 0 HD13 LEU A 97 2.517 1.196 -1.389 1.00 60.34 H new ATOM 0 HD21 LEU A 97 5.462 0.321 -1.634 1.00 13.41 H new ATOM 0 HD22 LEU A 97 4.238 -0.638 -0.768 1.00 13.41 H new ATOM 0 HD23 LEU A 97 5.186 -1.379 -2.080 1.00 13.41 H new ATOM 1575 N LYS A 98 1.549 -2.798 -5.541 1.00 64.22 N ATOM 1576 CA LYS A 98 1.138 -4.097 -6.070 1.00 32.44 C ATOM 1577 C LYS A 98 2.248 -5.122 -5.850 1.00 4.52 C ATOM 1578 O LYS A 98 3.383 -4.920 -6.282 1.00 4.14 O ATOM 1579 CB LYS A 98 0.779 -3.951 -7.561 1.00 20.25 C ATOM 1580 CG LYS A 98 0.667 -5.258 -8.353 1.00 54.44 C ATOM 1581 CD LYS A 98 -0.115 -5.047 -9.655 1.00 35.52 C ATOM 1582 CE LYS A 98 0.137 -6.141 -10.691 1.00 74.45 C ATOM 1583 NZ LYS A 98 1.234 -5.770 -11.628 1.00 63.13 N ATOM 0 H LYS A 98 2.307 -2.360 -6.065 1.00 64.22 H new ATOM 0 HA LYS A 98 0.253 -4.453 -5.543 1.00 32.44 H new ATOM 0 HB2 LYS A 98 -0.170 -3.421 -7.636 1.00 20.25 H new ATOM 0 HB3 LYS A 98 1.533 -3.324 -8.037 1.00 20.25 H new ATOM 0 HG2 LYS A 98 1.664 -5.636 -8.581 1.00 54.44 H new ATOM 0 HG3 LYS A 98 0.171 -6.014 -7.745 1.00 54.44 H new ATOM 0 HD2 LYS A 98 -1.181 -5.008 -9.429 1.00 35.52 H new ATOM 0 HD3 LYS A 98 0.156 -4.081 -10.082 1.00 35.52 H new ATOM 0 HE2 LYS A 98 0.391 -7.071 -10.183 1.00 74.45 H new ATOM 0 HE3 LYS A 98 -0.777 -6.325 -11.255 1.00 74.45 H new ATOM 0 HZ1 LYS A 98 1.772 -6.622 -11.887 1.00 63.13 H new ATOM 0 HZ2 LYS A 98 0.829 -5.342 -12.485 1.00 63.13 H new ATOM 0 HZ3 LYS A 98 1.868 -5.087 -11.167 1.00 63.13 H new ATOM 1597 N ARG A 99 1.919 -6.202 -5.145 1.00 1.33 N ATOM 1598 CA ARG A 99 2.891 -7.243 -4.818 1.00 45.50 C ATOM 1599 C ARG A 99 3.047 -8.178 -6.013 1.00 64.21 C ATOM 1600 O ARG A 99 2.056 -8.661 -6.562 1.00 53.51 O ATOM 1601 CB ARG A 99 2.425 -8.016 -3.567 1.00 73.04 C ATOM 1602 CG ARG A 99 3.521 -8.795 -2.833 1.00 11.51 C ATOM 1603 CD ARG A 99 3.971 -10.046 -3.580 1.00 14.34 C ATOM 1604 NE ARG A 99 2.874 -10.988 -3.782 1.00 44.14 N ATOM 1605 CZ ARG A 99 3.035 -12.275 -4.085 1.00 52.31 C ATOM 1606 NH1 ARG A 99 4.250 -12.777 -4.276 1.00 40.22 N ATOM 1607 NH2 ARG A 99 1.974 -13.055 -4.216 1.00 74.42 N ATOM 0 H ARG A 99 0.981 -6.380 -4.787 1.00 1.33 H new ATOM 0 HA ARG A 99 3.859 -6.793 -4.598 1.00 45.50 H new ATOM 0 HB2 ARG A 99 1.976 -7.309 -2.870 1.00 73.04 H new ATOM 0 HB3 ARG A 99 1.642 -8.714 -3.862 1.00 73.04 H new ATOM 0 HG2 ARG A 99 4.381 -8.143 -2.679 1.00 11.51 H new ATOM 0 HG3 ARG A 99 3.156 -9.080 -1.846 1.00 11.51 H new ATOM 0 HD2 ARG A 99 4.386 -9.761 -4.547 1.00 14.34 H new ATOM 0 HD3 ARG A 99 4.769 -10.534 -3.021 1.00 14.34 H new ATOM 0 HE ARG A 99 1.921 -10.637 -3.685 1.00 44.14 H new ATOM 0 HH11 ARG A 99 5.069 -12.176 -4.191 1.00 40.22 H new ATOM 0 HH12 ARG A 99 4.363 -13.764 -4.508 1.00 40.22 H new ATOM 0 HH21 ARG A 99 1.039 -12.670 -4.085 1.00 74.42 H new ATOM 0 HH22 ARG A 99 2.092 -14.041 -4.448 1.00 74.42 H new ATOM 1621 N ILE A 100 4.287 -8.423 -6.422 1.00 51.10 N ATOM 1622 CA ILE A 100 4.553 -9.251 -7.596 1.00 71.12 C ATOM 1623 C ILE A 100 5.072 -10.630 -7.187 1.00 62.42 C ATOM 1624 O ILE A 100 5.562 -10.822 -6.072 1.00 22.10 O ATOM 1625 CB ILE A 100 5.592 -8.583 -8.540 1.00 4.35 C ATOM 1626 CG1 ILE A 100 5.353 -7.066 -8.632 1.00 4.11 C ATOM 1627 CG2 ILE A 100 5.528 -9.216 -9.932 1.00 73.13 C ATOM 1628 CD1 ILE A 100 3.982 -6.694 -9.160 1.00 52.43 C ATOM 0 H ILE A 100 5.122 -8.062 -5.961 1.00 51.10 H new ATOM 0 HA ILE A 100 3.607 -9.359 -8.127 1.00 71.12 H new ATOM 0 HB ILE A 100 6.586 -8.747 -8.124 1.00 4.35 H new ATOM 0 HG12 ILE A 100 5.483 -6.626 -7.643 1.00 4.11 H new ATOM 0 HG13 ILE A 100 6.113 -6.626 -9.278 1.00 4.11 H new ATOM 0 HG21 ILE A 100 6.261 -8.739 -10.583 1.00 73.13 H new ATOM 0 HG22 ILE A 100 5.748 -10.281 -9.858 1.00 73.13 H new ATOM 0 HG23 ILE A 100 4.530 -9.080 -10.348 1.00 73.13 H new ATOM 0 HD11 ILE A 100 3.888 -5.609 -9.196 1.00 52.43 H new ATOM 0 HD12 ILE A 100 3.855 -7.103 -10.162 1.00 52.43 H new ATOM 0 HD13 ILE A 100 3.215 -7.103 -8.502 1.00 52.43 H new ATOM 1640 N ARG A 101 4.983 -11.575 -8.115 1.00 23.34 N ATOM 1641 CA ARG A 101 5.488 -12.937 -7.926 1.00 33.01 C ATOM 1642 C ARG A 101 7.018 -12.979 -8.083 1.00 43.25 C ATOM 1643 O ARG A 101 7.581 -13.972 -8.554 1.00 2.43 O ATOM 1644 CB ARG A 101 4.817 -13.859 -8.959 1.00 31.00 C ATOM 1645 CG ARG A 101 5.055 -13.415 -10.400 1.00 53.01 C ATOM 1646 CD ARG A 101 4.276 -14.247 -11.412 1.00 62.01 C ATOM 1647 NE ARG A 101 4.566 -13.817 -12.783 1.00 43.41 N ATOM 1648 CZ ARG A 101 3.800 -14.084 -13.845 1.00 12.32 C ATOM 1649 NH1 ARG A 101 2.678 -14.777 -13.709 1.00 52.13 N ATOM 1650 NH2 ARG A 101 4.161 -13.651 -15.045 1.00 2.40 N ATOM 0 H ARG A 101 4.556 -11.420 -9.028 1.00 23.34 H new ATOM 0 HA ARG A 101 5.249 -13.276 -6.918 1.00 33.01 H new ATOM 0 HB2 ARG A 101 5.194 -14.874 -8.831 1.00 31.00 H new ATOM 0 HB3 ARG A 101 3.745 -13.890 -8.767 1.00 31.00 H new ATOM 0 HG2 ARG A 101 4.772 -12.367 -10.504 1.00 53.01 H new ATOM 0 HG3 ARG A 101 6.120 -13.482 -10.625 1.00 53.01 H new ATOM 0 HD2 ARG A 101 4.532 -15.300 -11.296 1.00 62.01 H new ATOM 0 HD3 ARG A 101 3.207 -14.156 -11.217 1.00 62.01 H new ATOM 0 HE ARG A 101 5.415 -13.274 -12.938 1.00 43.41 H new ATOM 0 HH11 ARG A 101 2.393 -15.111 -12.788 1.00 52.13 H new ATOM 0 HH12 ARG A 101 2.099 -14.976 -14.525 1.00 52.13 H new ATOM 0 HH21 ARG A 101 5.022 -13.115 -15.156 1.00 2.40 H new ATOM 0 HH22 ARG A 101 3.578 -13.854 -15.857 1.00 2.40 H new ATOM 1664 N LYS A 102 7.689 -11.904 -7.666 1.00 54.31 N ATOM 1665 CA LYS A 102 9.137 -11.776 -7.809 1.00 34.05 C ATOM 1666 C LYS A 102 9.776 -11.380 -6.480 1.00 41.34 C ATOM 1667 O LYS A 102 9.109 -10.817 -5.607 1.00 21.13 O ATOM 1668 CB LYS A 102 9.490 -10.700 -8.852 1.00 3.31 C ATOM 1669 CG LYS A 102 9.051 -11.001 -10.283 1.00 45.42 C ATOM 1670 CD LYS A 102 9.449 -9.862 -11.224 1.00 54.13 C ATOM 1671 CE LYS A 102 8.732 -8.558 -10.873 1.00 40.53 C ATOM 1672 NZ LYS A 102 9.376 -7.363 -11.483 1.00 4.13 N ATOM 0 H LYS A 102 7.244 -11.101 -7.221 1.00 54.31 H new ATOM 0 HA LYS A 102 9.519 -12.744 -8.132 1.00 34.05 H new ATOM 0 HB2 LYS A 102 9.038 -9.757 -8.543 1.00 3.31 H new ATOM 0 HB3 LYS A 102 10.570 -10.553 -8.845 1.00 3.31 H new ATOM 0 HG2 LYS A 102 9.506 -11.933 -10.619 1.00 45.42 H new ATOM 0 HG3 LYS A 102 7.971 -11.144 -10.314 1.00 45.42 H new ATOM 0 HD2 LYS A 102 10.527 -9.709 -11.174 1.00 54.13 H new ATOM 0 HD3 LYS A 102 9.214 -10.141 -12.251 1.00 54.13 H new ATOM 0 HE2 LYS A 102 7.696 -8.617 -11.207 1.00 40.53 H new ATOM 0 HE3 LYS A 102 8.711 -8.440 -9.790 1.00 40.53 H new ATOM 0 HZ1 LYS A 102 8.659 -6.628 -11.648 1.00 4.13 H new ATOM 0 HZ2 LYS A 102 10.106 -6.996 -10.840 1.00 4.13 H new ATOM 0 HZ3 LYS A 102 9.814 -7.629 -12.388 1.00 4.13 H new ATOM 1686 N LEU A 103 11.059 -11.688 -6.338 1.00 13.23 N ATOM 1687 CA LEU A 103 11.872 -11.160 -5.252 1.00 22.40 C ATOM 1688 C LEU A 103 13.283 -10.882 -5.771 1.00 23.10 C ATOM 1689 O LEU A 103 14.035 -11.806 -6.084 1.00 55.40 O ATOM 1690 CB LEU A 103 11.889 -12.132 -4.055 1.00 12.01 C ATOM 1691 CG LEU A 103 12.604 -11.632 -2.775 1.00 43.33 C ATOM 1692 CD1 LEU A 103 14.105 -11.916 -2.820 1.00 62.42 C ATOM 1693 CD2 LEU A 103 12.354 -10.137 -2.559 1.00 21.42 C ATOM 0 H LEU A 103 11.563 -12.309 -6.971 1.00 13.23 H new ATOM 0 HA LEU A 103 11.439 -10.225 -4.896 1.00 22.40 H new ATOM 0 HB2 LEU A 103 10.858 -12.376 -3.798 1.00 12.01 H new ATOM 0 HB3 LEU A 103 12.366 -13.059 -4.374 1.00 12.01 H new ATOM 0 HG LEU A 103 12.183 -12.183 -1.934 1.00 43.33 H new ATOM 0 HD11 LEU A 103 14.572 -11.551 -1.905 1.00 62.42 H new ATOM 0 HD12 LEU A 103 14.270 -12.990 -2.908 1.00 62.42 H new ATOM 0 HD13 LEU A 103 14.545 -11.410 -3.679 1.00 62.42 H new ATOM 0 HD21 LEU A 103 12.866 -9.809 -1.654 1.00 21.42 H new ATOM 0 HD22 LEU A 103 12.734 -9.577 -3.414 1.00 21.42 H new ATOM 0 HD23 LEU A 103 11.284 -9.958 -2.455 1.00 21.42 H new