USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 608 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 30 SER OG : rot -87:sc= 1.72 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0.538 USER MOD Set 2.1: A 12 MET CE :methyl -174:sc= -0.369 (180deg=-0.456) USER MOD Set 2.2: A 49 CYS SG : rot 44:sc= 0.00468 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -110:sc= 1.97 (180deg=-1.8) USER MOD Single : A 21 GLN : amide:sc= -0.0543 X(o=-0.054,f=-0.0021) USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.0393 USER MOD Single : A 34 GLN : amide:sc= -0.772 K(o=-0.77,f=-1.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot -143:sc= 0.639 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc=-0.00358 X(o=-0.0036,f=-0.0036) USER MOD Single : A 61 ASN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.267 K(o=-0.27,f=-3.1!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.347 X(o=-0.35,f=-0.003) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0902 USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 1.09 (180deg=1.07) USER MOD Single : A 77 CYS SG : rot 61:sc= 0.226 USER MOD Single : A 81 SER OG : rot 71:sc= 0.612 USER MOD Single : A 83 THR OG1 : rot 170:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.0012 X(o=-0.0012,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 11 -1.835 -1.549 -11.366 1.00 0.00 N ATOM 109 CA LEU A 11 -1.200 -2.173 -10.212 1.00 0.00 C ATOM 110 C LEU A 11 -0.685 -3.568 -10.617 1.00 0.00 C ATOM 111 O LEU A 11 -0.862 -3.976 -11.765 1.00 0.00 O ATOM 112 CB LEU A 11 -2.239 -2.208 -9.083 1.00 0.00 C ATOM 113 CG LEU A 11 -2.511 -0.849 -8.396 1.00 0.00 C ATOM 114 CD1 LEU A 11 -1.342 -0.381 -7.522 1.00 0.00 C ATOM 115 CD2 LEU A 11 -2.951 0.311 -9.291 1.00 0.00 C ATOM 0 HA LEU A 11 -0.333 -1.616 -9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.178 -2.587 -9.487 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.907 -2.919 -8.327 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.379 -1.096 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.590 0.577 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.154 -1.117 -6.740 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.449 -0.270 -8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.107 1.201 -8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.179 0.510 -10.034 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.881 0.049 -9.795 1.00 0.00 H new ATOM 127 N MET A 12 -0.063 -4.316 -9.698 1.00 0.00 N ATOM 128 CA MET A 12 0.386 -5.678 -9.989 1.00 0.00 C ATOM 129 C MET A 12 -0.769 -6.614 -9.667 1.00 0.00 C ATOM 130 O MET A 12 -1.371 -6.477 -8.606 1.00 0.00 O ATOM 131 CB MET A 12 1.612 -6.042 -9.133 1.00 0.00 C ATOM 132 CG MET A 12 2.899 -5.645 -9.857 1.00 0.00 C ATOM 133 SD MET A 12 4.491 -5.847 -8.993 1.00 0.00 S ATOM 134 CE MET A 12 4.318 -7.467 -8.199 1.00 0.00 C ATOM 0 H MET A 12 0.139 -4.000 -8.750 1.00 0.00 H new ATOM 0 HA MET A 12 0.678 -5.763 -11.036 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.556 -5.534 -8.170 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.617 -7.113 -8.928 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.949 -6.222 -10.781 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.808 -4.596 -10.140 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.180 -7.652 -7.558 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.409 -7.482 -7.598 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.261 -8.242 -8.963 1.00 0.00 H new ATOM 144 N THR A 13 -1.052 -7.587 -10.531 1.00 0.00 N ATOM 145 CA THR A 13 -2.214 -8.460 -10.432 1.00 0.00 C ATOM 146 C THR A 13 -1.736 -9.873 -10.674 1.00 0.00 C ATOM 147 O THR A 13 -1.406 -10.270 -11.793 1.00 0.00 O ATOM 148 CB THR A 13 -3.305 -8.052 -11.418 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.685 -6.720 -11.159 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.534 -8.973 -11.340 1.00 0.00 C ATOM 0 H THR A 13 -0.463 -7.793 -11.338 1.00 0.00 H new ATOM 0 HA THR A 13 -2.666 -8.383 -9.443 1.00 0.00 H new ATOM 0 HB THR A 13 -2.900 -8.142 -12.426 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.385 -6.451 -11.790 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.283 -8.643 -12.060 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.237 -9.996 -11.569 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.955 -8.934 -10.335 1.00 0.00 H new ATOM 158 N LEU A 14 -1.639 -10.602 -9.584 1.00 0.00 N ATOM 159 CA LEU A 14 -1.069 -11.923 -9.494 1.00 0.00 C ATOM 160 C LEU A 14 -2.191 -12.925 -9.250 1.00 0.00 C ATOM 161 O LEU A 14 -3.322 -12.553 -8.923 1.00 0.00 O ATOM 162 CB LEU A 14 -0.029 -11.955 -8.366 1.00 0.00 C ATOM 163 CG LEU A 14 0.992 -10.798 -8.327 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.628 -10.421 -9.664 1.00 0.00 C ATOM 165 CD2 LEU A 14 0.523 -9.534 -7.617 1.00 0.00 C ATOM 0 H LEU A 14 -1.978 -10.265 -8.683 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.563 -12.188 -10.422 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.560 -11.971 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.523 -12.892 -8.439 1.00 0.00 H new ATOM 0 HG LEU A 14 1.769 -11.257 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.327 -9.598 -9.515 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.161 -11.281 -10.069 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.850 -10.114 -10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.314 -8.785 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.364 -9.144 -8.116 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.283 -9.767 -6.580 1.00 0.00 H new ATOM 177 N THR A 15 -1.866 -14.205 -9.381 1.00 0.00 N ATOM 178 CA THR A 15 -2.777 -15.293 -9.065 1.00 0.00 C ATOM 179 C THR A 15 -2.065 -16.230 -8.101 1.00 0.00 C ATOM 180 O THR A 15 -0.862 -16.461 -8.220 1.00 0.00 O ATOM 181 CB THR A 15 -3.246 -16.009 -10.340 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.652 -15.064 -11.315 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.414 -16.965 -10.102 1.00 0.00 C ATOM 0 H THR A 15 -0.954 -14.518 -9.713 1.00 0.00 H new ATOM 0 HA THR A 15 -3.681 -14.911 -8.591 1.00 0.00 H new ATOM 0 HB THR A 15 -2.390 -16.591 -10.682 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.947 -15.534 -12.123 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.695 -17.437 -11.043 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.117 -17.731 -9.386 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.264 -16.409 -9.707 1.00 0.00 H new ATOM 191 N ILE A 16 -2.815 -16.771 -7.154 1.00 0.00 N ATOM 192 CA ILE A 16 -2.354 -17.686 -6.126 1.00 0.00 C ATOM 193 C ILE A 16 -3.242 -18.929 -6.134 1.00 0.00 C ATOM 194 O ILE A 16 -4.319 -18.907 -6.734 1.00 0.00 O ATOM 195 CB ILE A 16 -2.387 -16.984 -4.759 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.754 -16.368 -4.442 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.323 -15.893 -4.588 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.759 -15.789 -3.035 1.00 0.00 C ATOM 0 H ILE A 16 -3.813 -16.572 -7.079 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.326 -17.991 -6.322 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.170 -17.790 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.984 -15.586 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.532 -17.126 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.414 -15.448 -3.597 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.331 -16.331 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.466 -15.123 -5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.736 -15.355 -2.824 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.550 -16.580 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.994 -15.016 -2.957 1.00 0.00 H new ATOM 210 N VAL A 17 -2.813 -19.975 -5.429 1.00 0.00 N ATOM 211 CA VAL A 17 -3.535 -21.217 -5.208 1.00 0.00 C ATOM 212 C VAL A 17 -3.518 -21.483 -3.690 1.00 0.00 C ATOM 213 O VAL A 17 -2.613 -21.063 -2.963 1.00 0.00 O ATOM 214 CB VAL A 17 -2.933 -22.348 -6.078 1.00 0.00 C ATOM 215 CG1 VAL A 17 -3.730 -23.659 -5.955 1.00 0.00 C ATOM 216 CG2 VAL A 17 -2.918 -21.950 -7.566 1.00 0.00 C ATOM 0 H VAL A 17 -1.901 -19.973 -4.973 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.577 -21.161 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.918 -22.503 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.272 -24.424 -6.582 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.726 -23.991 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.757 -23.492 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.491 -22.761 -8.155 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.937 -21.756 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.316 -21.051 -7.696 1.00 0.00 H new ATOM 226 N LYS A 18 -4.561 -22.143 -3.182 1.00 0.00 N ATOM 227 CA LYS A 18 -4.894 -22.211 -1.759 1.00 0.00 C ATOM 228 C LYS A 18 -4.729 -23.624 -1.218 1.00 0.00 C ATOM 229 O LYS A 18 -5.629 -24.448 -1.381 1.00 0.00 O ATOM 230 CB LYS A 18 -6.327 -21.701 -1.630 1.00 0.00 C ATOM 231 CG LYS A 18 -6.841 -21.503 -0.209 1.00 0.00 C ATOM 232 CD LYS A 18 -8.276 -20.972 -0.307 1.00 0.00 C ATOM 233 CE LYS A 18 -8.787 -20.679 1.092 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.253 -20.735 1.180 1.00 0.00 N ATOM 0 H LYS A 18 -5.216 -22.660 -3.768 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.219 -21.597 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.402 -20.750 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.988 -22.402 -2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.817 -22.443 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.208 -20.800 0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.303 -20.068 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.917 -21.705 -0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.357 -21.397 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.445 -19.691 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.629 -19.776 1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.639 -21.131 0.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.530 -21.338 1.981 1.00 0.00 H new ATOM 248 N GLY A 19 -3.613 -23.899 -0.547 1.00 0.00 N ATOM 249 CA GLY A 19 -3.194 -25.224 -0.093 1.00 0.00 C ATOM 250 C GLY A 19 -3.904 -25.706 1.172 1.00 0.00 C ATOM 251 O GLY A 19 -3.266 -26.084 2.157 1.00 0.00 O ATOM 0 H GLY A 19 -2.945 -23.171 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.372 -25.943 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.120 -25.210 0.090 1.00 0.00 H new ATOM 255 N ALA A 20 -5.237 -25.707 1.151 1.00 0.00 N ATOM 256 CA ALA A 20 -6.157 -26.294 2.128 1.00 0.00 C ATOM 257 C ALA A 20 -6.270 -25.577 3.480 1.00 0.00 C ATOM 258 O ALA A 20 -7.402 -25.416 3.945 1.00 0.00 O ATOM 259 CB ALA A 20 -5.886 -27.792 2.300 1.00 0.00 C ATOM 0 H ALA A 20 -5.744 -25.260 0.387 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.143 -26.146 1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.581 -28.206 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.020 -28.298 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.864 -27.939 2.648 1.00 0.00 H new ATOM 265 N GLN A 21 -5.184 -25.115 4.107 1.00 0.00 N ATOM 266 CA GLN A 21 -5.248 -24.390 5.385 1.00 0.00 C ATOM 267 C GLN A 21 -5.627 -22.915 5.221 1.00 0.00 C ATOM 268 O GLN A 21 -5.995 -22.268 6.201 1.00 0.00 O ATOM 269 CB GLN A 21 -3.943 -24.562 6.179 1.00 0.00 C ATOM 270 CG GLN A 21 -4.066 -25.679 7.225 1.00 0.00 C ATOM 271 CD GLN A 21 -4.841 -25.243 8.471 1.00 0.00 C ATOM 272 OE1 GLN A 21 -4.274 -24.718 9.424 1.00 0.00 O ATOM 273 NE2 GLN A 21 -6.150 -25.432 8.543 1.00 0.00 N ATOM 0 H GLN A 21 -4.237 -25.231 3.746 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.057 -24.839 5.961 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.126 -24.791 5.494 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.690 -23.624 6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.564 -26.538 6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.069 -26.006 7.519 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.646 -25.866 7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -6.662 -25.143 9.377 1.00 0.00 H new ATOM 282 N GLY A 22 -5.621 -22.404 3.994 1.00 0.00 N ATOM 283 CA GLY A 22 -6.035 -21.050 3.673 1.00 0.00 C ATOM 284 C GLY A 22 -4.829 -20.201 3.316 1.00 0.00 C ATOM 285 O GLY A 22 -4.628 -19.140 3.904 1.00 0.00 O ATOM 0 H GLY A 22 -5.320 -22.936 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.737 -21.065 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.558 -20.611 4.523 1.00 0.00 H new ATOM 289 N PHE A 23 -4.088 -20.662 2.302 1.00 0.00 N ATOM 290 CA PHE A 23 -2.837 -20.120 1.785 1.00 0.00 C ATOM 291 C PHE A 23 -1.727 -20.251 2.833 1.00 0.00 C ATOM 292 O PHE A 23 -1.984 -20.248 4.038 1.00 0.00 O ATOM 293 CB PHE A 23 -3.009 -18.675 1.281 1.00 0.00 C ATOM 294 CG PHE A 23 -4.220 -18.431 0.390 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.468 -18.084 0.953 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.109 -18.538 -1.010 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.580 -17.830 0.138 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.234 -18.298 -1.820 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.462 -17.920 -1.251 1.00 0.00 C ATOM 0 H PHE A 23 -4.376 -21.492 1.783 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.538 -20.707 0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.076 -18.013 2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.112 -18.391 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.567 -18.013 2.026 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.164 -18.803 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.527 -17.565 0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.153 -18.406 -2.892 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.309 -17.700 -1.884 1.00 0.00 H new ATOM 309 N GLY A 24 -0.476 -20.399 2.396 1.00 0.00 N ATOM 310 CA GLY A 24 0.647 -20.478 3.321 1.00 0.00 C ATOM 311 C GLY A 24 0.848 -19.135 3.990 1.00 0.00 C ATOM 312 O GLY A 24 0.896 -19.052 5.216 1.00 0.00 O ATOM 0 H GLY A 24 -0.219 -20.466 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.460 -21.245 4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.552 -20.769 2.787 1.00 0.00 H new ATOM 316 N PHE A 25 0.980 -18.102 3.156 1.00 0.00 N ATOM 317 CA PHE A 25 1.210 -16.733 3.560 1.00 0.00 C ATOM 318 C PHE A 25 0.193 -16.269 4.585 1.00 0.00 C ATOM 319 O PHE A 25 -0.956 -16.720 4.610 1.00 0.00 O ATOM 320 CB PHE A 25 1.233 -15.774 2.354 1.00 0.00 C ATOM 321 CG PHE A 25 -0.090 -15.330 1.785 1.00 0.00 C ATOM 322 CD1 PHE A 25 -0.629 -16.051 0.716 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.693 -14.128 2.199 1.00 0.00 C ATOM 324 CE1 PHE A 25 -1.689 -15.523 -0.025 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.786 -13.616 1.472 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.236 -14.282 0.321 1.00 0.00 C ATOM 0 H PHE A 25 0.926 -18.211 2.143 1.00 0.00 H new ATOM 0 HA PHE A 25 2.195 -16.710 4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.789 -14.883 2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.797 -16.254 1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.225 -17.020 0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.321 -13.603 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.087 -16.073 -0.865 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.277 -12.712 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.003 -13.838 -0.296 1.00 0.00 H new ATOM 336 N THR A 26 0.626 -15.310 5.384 1.00 0.00 N ATOM 337 CA THR A 26 -0.147 -14.716 6.443 1.00 0.00 C ATOM 338 C THR A 26 -0.333 -13.247 6.103 1.00 0.00 C ATOM 339 O THR A 26 0.536 -12.620 5.484 1.00 0.00 O ATOM 340 CB THR A 26 0.580 -14.957 7.775 1.00 0.00 C ATOM 341 OG1 THR A 26 1.937 -14.548 7.722 1.00 0.00 O ATOM 342 CG2 THR A 26 0.626 -16.448 8.092 1.00 0.00 C ATOM 0 H THR A 26 1.562 -14.913 5.304 1.00 0.00 H new ATOM 0 HA THR A 26 -1.137 -15.159 6.546 1.00 0.00 H new ATOM 0 HB THR A 26 0.029 -14.386 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.440 -14.989 8.438 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.144 -16.603 9.038 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.390 -16.836 8.167 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.157 -16.973 7.298 1.00 0.00 H new ATOM 350 N ILE A 27 -1.461 -12.688 6.520 1.00 0.00 N ATOM 351 CA ILE A 27 -1.719 -11.265 6.465 1.00 0.00 C ATOM 352 C ILE A 27 -1.729 -10.724 7.887 1.00 0.00 C ATOM 353 O ILE A 27 -2.038 -11.450 8.844 1.00 0.00 O ATOM 354 CB ILE A 27 -2.992 -10.943 5.647 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.292 -11.453 6.308 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.808 -11.518 4.233 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.578 -10.989 5.602 1.00 0.00 C ATOM 0 H ILE A 27 -2.234 -13.226 6.913 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.924 -10.753 5.923 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.112 -9.861 5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.274 -12.543 6.328 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.317 -11.116 7.344 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.694 -11.304 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.936 -11.062 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.664 -12.597 4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.446 -11.389 6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.622 -9.900 5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.578 -11.349 4.573 1.00 0.00 H new ATOM 369 N ALA A 28 -1.412 -9.443 8.007 1.00 0.00 N ATOM 370 CA ALA A 28 -1.483 -8.682 9.229 1.00 0.00 C ATOM 371 C ALA A 28 -2.206 -7.370 8.948 1.00 0.00 C ATOM 372 O ALA A 28 -2.291 -6.896 7.812 1.00 0.00 O ATOM 373 CB ALA A 28 -0.079 -8.469 9.801 1.00 0.00 C ATOM 0 H ALA A 28 -1.085 -8.889 7.216 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.049 -9.225 9.986 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.146 -7.893 10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.380 -9.436 10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.530 -7.927 9.078 1.00 0.00 H new ATOM 379 N ASP A 29 -2.761 -6.815 10.015 1.00 0.00 N ATOM 380 CA ASP A 29 -3.548 -5.593 10.021 1.00 0.00 C ATOM 381 C ASP A 29 -2.583 -4.402 9.938 1.00 0.00 C ATOM 382 O ASP A 29 -1.499 -4.441 10.540 1.00 0.00 O ATOM 383 CB ASP A 29 -4.393 -5.597 11.308 1.00 0.00 C ATOM 384 CG ASP A 29 -5.706 -4.829 11.210 1.00 0.00 C ATOM 385 OD1 ASP A 29 -5.905 -4.065 10.242 1.00 0.00 O ATOM 386 OD2 ASP A 29 -6.570 -5.095 12.073 1.00 0.00 O ATOM 0 H ASP A 29 -2.670 -7.225 10.944 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.227 -5.519 9.171 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.611 -6.630 11.580 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.799 -5.173 12.118 1.00 0.00 H new ATOM 391 N SER A 30 -2.918 -3.373 9.164 1.00 0.00 N ATOM 392 CA SER A 30 -2.069 -2.227 8.850 1.00 0.00 C ATOM 393 C SER A 30 -2.944 -0.953 8.813 1.00 0.00 C ATOM 394 O SER A 30 -4.168 -1.017 8.969 1.00 0.00 O ATOM 395 CB SER A 30 -1.294 -2.553 7.544 1.00 0.00 C ATOM 396 OG SER A 30 -1.779 -1.847 6.424 1.00 0.00 O ATOM 0 H SER A 30 -3.833 -3.313 8.717 1.00 0.00 H new ATOM 0 HA SER A 30 -1.312 -2.028 9.609 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.239 -2.318 7.686 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.358 -3.623 7.348 1.00 0.00 H new ATOM 0 HG SER A 30 -2.510 -2.352 6.010 1.00 0.00 H new ATOM 402 N PRO A 31 -2.352 0.232 8.623 1.00 0.00 N ATOM 403 CA PRO A 31 -3.077 1.480 8.403 1.00 0.00 C ATOM 404 C PRO A 31 -3.627 1.622 6.975 1.00 0.00 C ATOM 405 O PRO A 31 -4.556 2.408 6.756 1.00 0.00 O ATOM 406 CB PRO A 31 -2.055 2.581 8.696 1.00 0.00 C ATOM 407 CG PRO A 31 -0.699 1.921 8.425 1.00 0.00 C ATOM 408 CD PRO A 31 -0.922 0.447 8.691 1.00 0.00 C ATOM 0 HA PRO A 31 -3.957 1.527 9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.210 3.449 8.055 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.129 2.929 9.726 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.374 2.092 7.399 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.075 2.327 9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.402 -0.164 7.953 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.533 0.166 9.670 1.00 0.00 H new ATOM 416 N THR A 32 -3.072 0.899 5.997 1.00 0.00 N ATOM 417 CA THR A 32 -3.240 1.190 4.574 1.00 0.00 C ATOM 418 C THR A 32 -4.213 0.239 3.865 1.00 0.00 C ATOM 419 O THR A 32 -4.509 0.437 2.689 1.00 0.00 O ATOM 420 CB THR A 32 -1.847 1.217 3.903 1.00 0.00 C ATOM 421 OG1 THR A 32 -0.941 0.247 4.405 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.169 2.556 4.147 1.00 0.00 C ATOM 0 H THR A 32 -2.486 0.084 6.177 1.00 0.00 H new ATOM 0 HA THR A 32 -3.707 2.170 4.480 1.00 0.00 H new ATOM 0 HB THR A 32 -2.051 1.018 2.851 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.085 0.324 3.933 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.189 2.560 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.781 3.355 3.728 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.050 2.714 5.219 1.00 0.00 H new ATOM 430 N GLY A 33 -4.730 -0.779 4.547 1.00 0.00 N ATOM 431 CA GLY A 33 -5.366 -1.943 3.943 1.00 0.00 C ATOM 432 C GLY A 33 -4.672 -3.181 4.501 1.00 0.00 C ATOM 433 O GLY A 33 -3.726 -3.058 5.289 1.00 0.00 O ATOM 0 H GLY A 33 -4.717 -0.817 5.566 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.431 -1.962 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.277 -1.909 2.857 1.00 0.00 H new ATOM 437 N GLN A 34 -5.122 -4.377 4.133 1.00 0.00 N ATOM 438 CA GLN A 34 -4.471 -5.588 4.623 1.00 0.00 C ATOM 439 C GLN A 34 -3.109 -5.724 3.947 1.00 0.00 C ATOM 440 O GLN A 34 -2.939 -5.309 2.799 1.00 0.00 O ATOM 441 CB GLN A 34 -5.357 -6.823 4.407 1.00 0.00 C ATOM 442 CG GLN A 34 -6.799 -6.648 4.920 1.00 0.00 C ATOM 443 CD GLN A 34 -6.906 -5.978 6.290 1.00 0.00 C ATOM 444 OE1 GLN A 34 -6.131 -6.268 7.204 1.00 0.00 O ATOM 445 NE2 GLN A 34 -7.844 -5.061 6.481 1.00 0.00 N ATOM 0 H GLN A 34 -5.916 -4.533 3.512 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.318 -5.513 5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.385 -7.057 3.343 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.903 -7.677 4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.360 -6.057 4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.275 -7.627 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.485 -4.822 5.724 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.925 -4.595 7.385 1.00 0.00 H new ATOM 454 N ARG A 35 -2.136 -6.307 4.647 1.00 0.00 N ATOM 455 CA ARG A 35 -0.790 -6.506 4.123 1.00 0.00 C ATOM 456 C ARG A 35 -0.341 -7.912 4.411 1.00 0.00 C ATOM 457 O ARG A 35 -0.751 -8.507 5.408 1.00 0.00 O ATOM 458 CB ARG A 35 0.199 -5.560 4.807 1.00 0.00 C ATOM 459 CG ARG A 35 0.012 -4.092 4.444 1.00 0.00 C ATOM 460 CD ARG A 35 1.264 -3.350 4.920 1.00 0.00 C ATOM 461 NE ARG A 35 0.967 -1.972 5.345 1.00 0.00 N ATOM 462 CZ ARG A 35 1.807 -1.081 5.884 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.052 -1.411 6.208 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.384 0.158 6.098 1.00 0.00 N ATOM 0 H ARG A 35 -2.263 -6.655 5.597 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.813 -6.312 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.103 -5.671 5.887 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.213 -5.861 4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.120 -3.975 3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.881 -3.687 4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.714 -3.895 5.750 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.000 -3.330 4.116 1.00 0.00 H new ATOM 0 HE ARG A 35 0.005 -1.659 5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.386 -2.361 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.674 -0.714 6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.430 0.421 5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.013 0.848 6.508 1.00 0.00 H new ATOM 478 N VAL A 36 0.574 -8.399 3.595 1.00 0.00 N ATOM 479 CA VAL A 36 1.166 -9.713 3.754 1.00 0.00 C ATOM 480 C VAL A 36 2.273 -9.573 4.776 1.00 0.00 C ATOM 481 O VAL A 36 3.254 -8.856 4.565 1.00 0.00 O ATOM 482 CB VAL A 36 1.642 -10.255 2.404 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.485 -11.536 2.513 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.408 -10.574 1.560 1.00 0.00 C ATOM 0 H VAL A 36 0.932 -7.885 2.790 1.00 0.00 H new ATOM 0 HA VAL A 36 0.444 -10.446 4.114 1.00 0.00 H new ATOM 0 HB VAL A 36 2.276 -9.489 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.786 -11.860 1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.373 -11.337 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.895 -12.321 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.721 -10.963 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.200 -11.320 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.178 -9.667 1.415 1.00 0.00 H new ATOM 494 N LYS A 37 2.103 -10.269 5.893 1.00 0.00 N ATOM 495 CA LYS A 37 3.137 -10.434 6.892 1.00 0.00 C ATOM 496 C LYS A 37 4.290 -11.219 6.274 1.00 0.00 C ATOM 497 O LYS A 37 5.421 -10.721 6.255 1.00 0.00 O ATOM 498 CB LYS A 37 2.510 -11.122 8.109 1.00 0.00 C ATOM 499 CG LYS A 37 3.534 -11.605 9.145 1.00 0.00 C ATOM 500 CD LYS A 37 2.799 -12.364 10.250 1.00 0.00 C ATOM 501 CE LYS A 37 3.767 -12.792 11.350 1.00 0.00 C ATOM 502 NZ LYS A 37 3.289 -14.015 12.019 1.00 0.00 N ATOM 0 H LYS A 37 1.229 -10.739 6.128 1.00 0.00 H new ATOM 0 HA LYS A 37 3.549 -9.483 7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.820 -10.429 8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.921 -11.974 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.273 -12.251 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.074 -10.757 9.565 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.017 -11.733 10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.308 -13.242 9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.755 -12.967 10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.873 -11.990 12.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.962 -14.289 12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.356 -13.837 12.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.211 -14.784 11.323 1.00 0.00 H new ATOM 516 N GLN A 38 4.021 -12.436 5.798 1.00 0.00 N ATOM 517 CA GLN A 38 5.048 -13.347 5.317 1.00 0.00 C ATOM 518 C GLN A 38 4.430 -14.287 4.301 1.00 0.00 C ATOM 519 O GLN A 38 3.309 -14.730 4.518 1.00 0.00 O ATOM 520 CB GLN A 38 5.580 -14.161 6.509 1.00 0.00 C ATOM 521 CG GLN A 38 6.694 -15.114 6.047 1.00 0.00 C ATOM 522 CD GLN A 38 7.749 -15.440 7.095 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.596 -15.181 8.291 1.00 0.00 O ATOM 524 NE2 GLN A 38 8.835 -16.059 6.672 1.00 0.00 N ATOM 0 H GLN A 38 3.076 -12.815 5.737 1.00 0.00 H new ATOM 0 HA GLN A 38 5.864 -12.791 4.855 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.962 -13.488 7.276 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.768 -14.731 6.961 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.237 -16.046 5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.189 -14.674 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.950 -16.268 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.560 -16.329 7.337 1.00 0.00 H new ATOM 533 N ILE A 39 5.173 -14.668 3.261 1.00 0.00 N ATOM 534 CA ILE A 39 4.822 -15.779 2.381 1.00 0.00 C ATOM 535 C ILE A 39 5.482 -17.036 2.954 1.00 0.00 C ATOM 536 O ILE A 39 6.691 -17.041 3.179 1.00 0.00 O ATOM 537 CB ILE A 39 5.189 -15.452 0.912 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.275 -14.297 0.421 1.00 0.00 C ATOM 539 CG2 ILE A 39 5.036 -16.694 0.010 1.00 0.00 C ATOM 540 CD1 ILE A 39 4.454 -13.877 -1.042 1.00 0.00 C ATOM 0 H ILE A 39 6.046 -14.207 3.005 1.00 0.00 H new ATOM 0 HA ILE A 39 3.747 -15.958 2.347 1.00 0.00 H new ATOM 0 HB ILE A 39 6.233 -15.144 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.237 -14.593 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.451 -13.426 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.300 -16.434 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.696 -17.485 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.003 -17.041 0.041 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.766 -13.064 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.479 -13.541 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.245 -14.726 -1.693 1.00 0.00 H new ATOM 552 N LEU A 40 4.691 -18.083 3.220 1.00 0.00 N ATOM 553 CA LEU A 40 5.152 -19.345 3.821 1.00 0.00 C ATOM 554 C LEU A 40 4.917 -20.545 2.904 1.00 0.00 C ATOM 555 O LEU A 40 5.289 -21.664 3.253 1.00 0.00 O ATOM 556 CB LEU A 40 4.434 -19.613 5.152 1.00 0.00 C ATOM 557 CG LEU A 40 4.673 -18.570 6.252 1.00 0.00 C ATOM 558 CD1 LEU A 40 3.666 -18.797 7.379 1.00 0.00 C ATOM 559 CD2 LEU A 40 6.103 -18.661 6.801 1.00 0.00 C ATOM 0 H LEU A 40 3.691 -18.078 3.020 1.00 0.00 H new ATOM 0 HA LEU A 40 6.223 -19.228 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.363 -19.675 4.961 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.749 -20.588 5.525 1.00 0.00 H new ATOM 0 HG LEU A 40 4.541 -17.575 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.828 -18.060 8.166 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.654 -18.694 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.797 -19.799 7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.243 -17.910 7.579 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.269 -19.653 7.221 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.814 -18.485 5.994 1.00 0.00 H new ATOM 571 N ASP A 41 4.290 -20.338 1.749 1.00 0.00 N ATOM 572 CA ASP A 41 4.133 -21.324 0.686 1.00 0.00 C ATOM 573 C ASP A 41 4.437 -20.566 -0.591 1.00 0.00 C ATOM 574 O ASP A 41 3.583 -19.830 -1.089 1.00 0.00 O ATOM 575 CB ASP A 41 2.732 -21.952 0.705 1.00 0.00 C ATOM 576 CG ASP A 41 2.449 -22.892 -0.467 1.00 0.00 C ATOM 577 OD1 ASP A 41 3.355 -23.146 -1.287 1.00 0.00 O ATOM 578 OD2 ASP A 41 1.285 -23.359 -0.538 1.00 0.00 O ATOM 0 H ASP A 41 3.860 -19.442 1.520 1.00 0.00 H new ATOM 0 HA ASP A 41 4.804 -22.176 0.798 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.606 -22.504 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.989 -21.155 0.704 1.00 0.00 H new ATOM 583 N ILE A 42 5.706 -20.596 -0.996 1.00 0.00 N ATOM 584 CA ILE A 42 6.214 -19.756 -2.069 1.00 0.00 C ATOM 585 C ILE A 42 5.527 -20.187 -3.364 1.00 0.00 C ATOM 586 O ILE A 42 4.894 -19.358 -4.020 1.00 0.00 O ATOM 587 CB ILE A 42 7.760 -19.817 -2.115 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.356 -19.197 -0.828 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.309 -19.100 -3.358 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.852 -19.476 -0.646 1.00 0.00 C ATOM 0 H ILE A 42 6.410 -21.208 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 42 5.980 -18.704 -1.906 1.00 0.00 H new ATOM 0 HB ILE A 42 8.056 -20.864 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.196 -18.119 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.815 -19.584 0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.397 -19.160 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.916 -19.577 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.004 -18.054 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.199 -19.011 0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.018 -20.552 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.404 -19.064 -1.490 1.00 0.00 H new ATOM 602 N GLN A 43 5.614 -21.470 -3.722 1.00 0.00 N ATOM 603 CA GLN A 43 5.019 -21.970 -4.954 1.00 0.00 C ATOM 604 C GLN A 43 3.496 -21.841 -4.968 1.00 0.00 C ATOM 605 O GLN A 43 2.929 -21.648 -6.042 1.00 0.00 O ATOM 606 CB GLN A 43 5.439 -23.424 -5.196 1.00 0.00 C ATOM 607 CG GLN A 43 6.728 -23.530 -6.023 1.00 0.00 C ATOM 608 CD GLN A 43 6.630 -24.710 -6.978 1.00 0.00 C ATOM 609 OE1 GLN A 43 6.335 -24.545 -8.157 1.00 0.00 O ATOM 610 NE2 GLN A 43 6.775 -25.923 -6.480 1.00 0.00 N ATOM 0 H GLN A 43 6.094 -22.181 -3.170 1.00 0.00 H new ATOM 0 HA GLN A 43 5.394 -21.347 -5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.583 -23.922 -4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.636 -23.951 -5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.889 -22.609 -6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.586 -23.655 -5.362 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.021 -26.045 -5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.642 -26.739 -7.077 1.00 0.00 H new ATOM 619 N GLY A 44 2.818 -21.900 -3.820 1.00 0.00 N ATOM 620 CA GLY A 44 1.381 -21.675 -3.768 1.00 0.00 C ATOM 621 C GLY A 44 0.988 -20.250 -4.160 1.00 0.00 C ATOM 622 O GLY A 44 -0.184 -19.995 -4.424 1.00 0.00 O ATOM 0 H GLY A 44 3.246 -22.102 -2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.883 -22.380 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.022 -21.881 -2.760 1.00 0.00 H new ATOM 626 N CYS A 45 1.910 -19.281 -4.171 1.00 0.00 N ATOM 627 CA CYS A 45 1.586 -17.868 -4.351 1.00 0.00 C ATOM 628 C CYS A 45 2.578 -17.188 -5.325 1.00 0.00 C ATOM 629 O CYS A 45 3.371 -16.343 -4.895 1.00 0.00 O ATOM 630 CB CYS A 45 1.556 -17.214 -2.965 1.00 0.00 C ATOM 631 SG CYS A 45 0.173 -17.926 -2.017 1.00 0.00 S ATOM 0 H CYS A 45 2.907 -19.460 -4.054 1.00 0.00 H new ATOM 0 HA CYS A 45 0.606 -17.750 -4.814 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.499 -17.385 -2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.435 -16.135 -3.058 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.367 -17.003 -1.278 1.00 0.00 H new ATOM 637 N PRO A 46 2.585 -17.548 -6.624 1.00 0.00 N ATOM 638 CA PRO A 46 3.575 -17.076 -7.591 1.00 0.00 C ATOM 639 C PRO A 46 3.477 -15.568 -7.845 1.00 0.00 C ATOM 640 O PRO A 46 2.471 -15.069 -8.357 1.00 0.00 O ATOM 641 CB PRO A 46 3.354 -17.896 -8.865 1.00 0.00 C ATOM 642 CG PRO A 46 1.908 -18.359 -8.762 1.00 0.00 C ATOM 643 CD PRO A 46 1.690 -18.507 -7.259 1.00 0.00 C ATOM 0 HA PRO A 46 4.585 -17.219 -7.207 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.517 -17.295 -9.759 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.040 -18.741 -8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.222 -17.633 -9.198 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.750 -19.302 -9.286 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.652 -18.306 -6.994 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.911 -19.523 -6.931 1.00 0.00 H new ATOM 651 N GLY A 47 4.540 -14.828 -7.522 1.00 0.00 N ATOM 652 CA GLY A 47 4.633 -13.391 -7.776 1.00 0.00 C ATOM 653 C GLY A 47 4.104 -12.522 -6.645 1.00 0.00 C ATOM 654 O GLY A 47 4.242 -11.299 -6.712 1.00 0.00 O ATOM 0 H GLY A 47 5.369 -15.215 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.676 -13.133 -7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.081 -13.158 -8.687 1.00 0.00 H new ATOM 658 N LEU A 48 3.484 -13.130 -5.634 1.00 0.00 N ATOM 659 CA LEU A 48 3.041 -12.427 -4.441 1.00 0.00 C ATOM 660 C LEU A 48 4.294 -11.932 -3.698 1.00 0.00 C ATOM 661 O LEU A 48 5.374 -12.517 -3.846 1.00 0.00 O ATOM 662 CB LEU A 48 2.127 -13.388 -3.648 1.00 0.00 C ATOM 663 CG LEU A 48 1.071 -12.683 -2.782 1.00 0.00 C ATOM 664 CD1 LEU A 48 -0.154 -13.561 -2.561 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.374 -12.203 -1.393 1.00 0.00 C ATOM 0 H LEU A 48 3.276 -14.129 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 48 2.443 -11.538 -4.640 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.621 -14.052 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.747 -14.015 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 48 0.966 -11.798 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.877 -13.028 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.606 -13.804 -3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.144 -14.481 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.486 -11.736 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.672 -13.048 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.185 -11.475 -1.428 1.00 0.00 H new ATOM 677 N CYS A 49 4.181 -10.851 -2.924 1.00 0.00 N ATOM 678 CA CYS A 49 5.294 -10.209 -2.233 1.00 0.00 C ATOM 679 C CYS A 49 5.022 -10.107 -0.728 1.00 0.00 C ATOM 680 O CYS A 49 3.881 -10.146 -0.278 1.00 0.00 O ATOM 681 CB CYS A 49 5.508 -8.814 -2.838 1.00 0.00 C ATOM 682 SG CYS A 49 6.013 -8.933 -4.583 1.00 0.00 S ATOM 0 H CYS A 49 3.288 -10.388 -2.758 1.00 0.00 H new ATOM 0 HA CYS A 49 6.194 -10.810 -2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.588 -8.235 -2.760 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.270 -8.280 -2.270 1.00 0.00 H new ATOM 0 HG CYS A 49 5.281 -9.821 -5.187 1.00 0.00 H new ATOM 688 N GLU A 50 6.073 -9.936 0.070 1.00 0.00 N ATOM 689 CA GLU A 50 5.949 -9.673 1.499 1.00 0.00 C ATOM 690 C GLU A 50 5.868 -8.161 1.708 1.00 0.00 C ATOM 691 O GLU A 50 6.505 -7.409 0.965 1.00 0.00 O ATOM 692 CB GLU A 50 7.158 -10.250 2.234 1.00 0.00 C ATOM 693 CG GLU A 50 7.254 -11.771 2.070 1.00 0.00 C ATOM 694 CD GLU A 50 8.443 -12.290 2.862 1.00 0.00 C ATOM 695 OE1 GLU A 50 9.598 -12.059 2.434 1.00 0.00 O ATOM 696 OE2 GLU A 50 8.230 -12.853 3.956 1.00 0.00 O ATOM 0 H GLU A 50 7.038 -9.976 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 50 5.049 -10.144 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.069 -9.786 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.091 -10.003 3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.336 -12.244 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.365 -12.028 1.017 1.00 0.00 H new ATOM 703 N GLY A 51 5.107 -7.700 2.707 1.00 0.00 N ATOM 704 CA GLY A 51 4.730 -6.295 2.853 1.00 0.00 C ATOM 705 C GLY A 51 4.214 -5.742 1.524 1.00 0.00 C ATOM 706 O GLY A 51 4.580 -4.644 1.096 1.00 0.00 O ATOM 0 H GLY A 51 4.733 -8.300 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.961 -6.196 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.589 -5.714 3.187 1.00 0.00 H new ATOM 710 N ASP A 52 3.378 -6.531 0.850 1.00 0.00 N ATOM 711 CA ASP A 52 2.487 -6.076 -0.207 1.00 0.00 C ATOM 712 C ASP A 52 1.436 -5.129 0.404 1.00 0.00 C ATOM 713 O ASP A 52 1.562 -4.694 1.558 1.00 0.00 O ATOM 714 CB ASP A 52 1.893 -7.310 -0.922 1.00 0.00 C ATOM 715 CG ASP A 52 0.629 -7.902 -0.318 1.00 0.00 C ATOM 716 OD1 ASP A 52 0.338 -7.635 0.870 1.00 0.00 O ATOM 717 OD2 ASP A 52 -0.001 -8.665 -1.083 1.00 0.00 O ATOM 0 H ASP A 52 3.303 -7.532 1.032 1.00 0.00 H new ATOM 0 HA ASP A 52 3.012 -5.502 -0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.681 -7.036 -1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.655 -8.089 -0.948 1.00 0.00 H new ATOM 722 N LEU A 53 0.421 -4.756 -0.366 1.00 0.00 N ATOM 723 CA LEU A 53 -0.755 -4.057 0.129 1.00 0.00 C ATOM 724 C LEU A 53 -1.892 -4.593 -0.710 1.00 0.00 C ATOM 725 O LEU A 53 -1.813 -4.491 -1.934 1.00 0.00 O ATOM 726 CB LEU A 53 -0.577 -2.547 -0.065 1.00 0.00 C ATOM 727 CG LEU A 53 -1.575 -1.604 0.619 1.00 0.00 C ATOM 728 CD1 LEU A 53 -2.936 -1.501 -0.060 1.00 0.00 C ATOM 729 CD2 LEU A 53 -1.770 -1.934 2.098 1.00 0.00 C ATOM 0 H LEU A 53 0.393 -4.935 -1.370 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.934 -4.213 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.422 -2.283 0.282 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.607 -2.343 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.102 -0.627 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.570 -0.812 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.808 -1.133 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.405 -2.485 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.486 -1.237 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.148 -2.952 2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.816 -1.849 2.619 1.00 0.00 H new ATOM 741 N ILE A 54 -2.877 -5.225 -0.087 1.00 0.00 N ATOM 742 CA ILE A 54 -3.940 -5.939 -0.774 1.00 0.00 C ATOM 743 C ILE A 54 -5.072 -4.958 -1.032 1.00 0.00 C ATOM 744 O ILE A 54 -5.517 -4.247 -0.130 1.00 0.00 O ATOM 745 CB ILE A 54 -4.316 -7.189 0.048 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.155 -8.188 -0.189 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.693 -7.762 -0.295 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.197 -9.494 0.591 1.00 0.00 C ATOM 0 H ILE A 54 -2.960 -5.255 0.929 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.640 -6.320 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.424 -6.947 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.127 -8.429 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.219 -7.682 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.887 -8.639 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.458 -7.009 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.717 -8.047 -1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.329 -10.100 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.185 -9.280 1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.107 -10.039 0.340 1.00 0.00 H new ATOM 760 N VAL A 55 -5.488 -4.905 -2.295 1.00 0.00 N ATOM 761 CA VAL A 55 -6.300 -3.829 -2.832 1.00 0.00 C ATOM 762 C VAL A 55 -7.567 -4.394 -3.438 1.00 0.00 C ATOM 763 O VAL A 55 -8.673 -3.937 -3.133 1.00 0.00 O ATOM 764 CB VAL A 55 -5.429 -3.041 -3.831 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.217 -2.187 -4.830 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.411 -2.226 -3.025 1.00 0.00 C ATOM 0 H VAL A 55 -5.263 -5.624 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.629 -3.138 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.916 -3.755 -4.476 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.523 -1.669 -5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.872 -2.828 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.817 -1.455 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.779 -1.657 -3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.938 -1.541 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.791 -2.900 -2.434 1.00 0.00 H new ATOM 776 N GLU A 56 -7.421 -5.419 -4.271 1.00 0.00 N ATOM 777 CA GLU A 56 -8.545 -6.121 -4.857 1.00 0.00 C ATOM 778 C GLU A 56 -8.263 -7.606 -4.737 1.00 0.00 C ATOM 779 O GLU A 56 -7.170 -8.086 -5.044 1.00 0.00 O ATOM 780 CB GLU A 56 -8.806 -5.678 -6.302 1.00 0.00 C ATOM 781 CG GLU A 56 -9.330 -4.242 -6.323 1.00 0.00 C ATOM 782 CD GLU A 56 -9.381 -3.642 -7.724 1.00 0.00 C ATOM 783 OE1 GLU A 56 -10.141 -4.142 -8.585 1.00 0.00 O ATOM 784 OE2 GLU A 56 -8.656 -2.651 -7.962 1.00 0.00 O ATOM 0 H GLU A 56 -6.512 -5.784 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.465 -5.881 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.887 -5.747 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.530 -6.345 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.330 -4.220 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.695 -3.621 -5.692 1.00 0.00 H new ATOM 791 N ILE A 57 -9.279 -8.315 -4.269 1.00 0.00 N ATOM 792 CA ILE A 57 -9.412 -9.756 -4.270 1.00 0.00 C ATOM 793 C ILE A 57 -10.613 -9.963 -5.191 1.00 0.00 C ATOM 794 O ILE A 57 -11.633 -9.297 -5.015 1.00 0.00 O ATOM 795 CB ILE A 57 -9.610 -10.244 -2.812 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.258 -10.187 -2.069 1.00 0.00 C ATOM 797 CG2 ILE A 57 -10.195 -11.656 -2.636 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.400 -10.326 -0.555 1.00 0.00 C ATOM 0 H ILE A 57 -10.089 -7.860 -3.849 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.553 -10.326 -4.624 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.357 -9.566 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.612 -10.982 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.765 -9.242 -2.296 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.286 -11.882 -1.574 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -11.179 -11.703 -3.102 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.535 -12.385 -3.107 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.415 -10.278 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.021 -9.516 -0.172 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.866 -11.283 -0.320 1.00 0.00 H new ATOM 810 N ASN A 58 -10.476 -10.841 -6.184 1.00 0.00 N ATOM 811 CA ASN A 58 -11.555 -11.436 -6.975 1.00 0.00 C ATOM 812 C ASN A 58 -12.412 -10.423 -7.769 1.00 0.00 C ATOM 813 O ASN A 58 -13.507 -10.780 -8.199 1.00 0.00 O ATOM 814 CB ASN A 58 -12.428 -12.349 -6.082 1.00 0.00 C ATOM 815 CG ASN A 58 -12.268 -13.831 -6.363 1.00 0.00 C ATOM 816 OD1 ASN A 58 -13.209 -14.499 -6.767 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.118 -14.406 -6.084 1.00 0.00 N ATOM 0 H ASN A 58 -9.558 -11.176 -6.475 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.069 -12.036 -7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.181 -12.160 -5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.475 -12.076 -6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.009 -15.413 -6.205 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.336 -13.845 -5.747 1.00 0.00 H new ATOM 824 N GLN A 59 -11.962 -9.178 -7.979 1.00 0.00 N ATOM 825 CA GLN A 59 -12.786 -8.058 -8.440 1.00 0.00 C ATOM 826 C GLN A 59 -13.961 -7.770 -7.480 1.00 0.00 C ATOM 827 O GLN A 59 -15.117 -7.673 -7.907 1.00 0.00 O ATOM 828 CB GLN A 59 -13.228 -8.164 -9.913 1.00 0.00 C ATOM 829 CG GLN A 59 -12.109 -8.022 -10.946 1.00 0.00 C ATOM 830 CD GLN A 59 -12.694 -7.709 -12.324 1.00 0.00 C ATOM 831 OE1 GLN A 59 -13.608 -8.384 -12.806 1.00 0.00 O ATOM 832 NE2 GLN A 59 -12.191 -6.703 -13.011 1.00 0.00 N ATOM 0 H GLN A 59 -10.987 -8.918 -7.828 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.132 -7.186 -8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.715 -9.128 -10.060 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.977 -7.396 -10.106 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.426 -7.228 -10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.528 -8.943 -10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.436 -6.143 -12.616 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.557 -6.485 -13.938 1.00 0.00 H new ATOM 841 N GLN A 60 -13.681 -7.642 -6.176 1.00 0.00 N ATOM 842 CA GLN A 60 -14.648 -7.271 -5.141 1.00 0.00 C ATOM 843 C GLN A 60 -14.377 -5.950 -4.417 1.00 0.00 C ATOM 844 O GLN A 60 -15.273 -5.379 -3.797 1.00 0.00 O ATOM 845 CB GLN A 60 -14.817 -8.485 -4.199 1.00 0.00 C ATOM 846 CG GLN A 60 -14.701 -8.256 -2.681 1.00 0.00 C ATOM 847 CD GLN A 60 -15.427 -9.332 -1.878 1.00 0.00 C ATOM 848 OE1 GLN A 60 -16.190 -9.007 -0.978 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.243 -10.607 -2.178 1.00 0.00 N ATOM 0 H GLN A 60 -12.745 -7.799 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.595 -7.043 -5.630 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.796 -8.923 -4.395 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.072 -9.230 -4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.649 -8.241 -2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.113 -7.278 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.605 -10.867 -2.930 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.739 -11.330 -1.657 1.00 0.00 H new ATOM 858 N ASN A 61 -13.160 -5.470 -4.581 1.00 0.00 N ATOM 859 CA ASN A 61 -12.444 -4.416 -3.860 1.00 0.00 C ATOM 860 C ASN A 61 -12.380 -4.645 -2.348 1.00 0.00 C ATOM 861 O ASN A 61 -13.363 -5.022 -1.718 1.00 0.00 O ATOM 862 CB ASN A 61 -12.996 -3.033 -4.231 1.00 0.00 C ATOM 863 CG ASN A 61 -12.097 -1.857 -3.844 1.00 0.00 C ATOM 864 OD1 ASN A 61 -12.577 -0.750 -3.606 1.00 0.00 O ATOM 865 ND2 ASN A 61 -10.777 -1.988 -3.817 1.00 0.00 N ATOM 0 H ASN A 61 -12.568 -5.855 -5.317 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.405 -4.457 -4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.167 -3.002 -5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.966 -2.904 -3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.189 -1.183 -3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.350 -2.894 -4.010 1.00 0.00 H new ATOM 872 N VAL A 62 -11.184 -4.477 -1.772 1.00 0.00 N ATOM 873 CA VAL A 62 -10.896 -4.802 -0.376 1.00 0.00 C ATOM 874 C VAL A 62 -10.021 -3.739 0.319 1.00 0.00 C ATOM 875 O VAL A 62 -9.586 -3.959 1.447 1.00 0.00 O ATOM 876 CB VAL A 62 -10.312 -6.233 -0.272 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.243 -7.298 -0.889 1.00 0.00 C ATOM 878 CG2 VAL A 62 -8.928 -6.370 -0.927 1.00 0.00 C ATOM 0 H VAL A 62 -10.378 -4.105 -2.274 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.837 -4.787 0.174 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.216 -6.407 0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.786 -8.283 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.201 -7.289 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.400 -7.076 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.575 -7.396 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.000 -6.120 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.227 -5.692 -0.441 1.00 0.00 H new ATOM 888 N GLN A 63 -9.733 -2.589 -0.313 1.00 0.00 N ATOM 889 CA GLN A 63 -8.901 -1.541 0.294 1.00 0.00 C ATOM 890 C GLN A 63 -9.525 -0.909 1.544 1.00 0.00 C ATOM 891 O GLN A 63 -8.801 -0.244 2.294 1.00 0.00 O ATOM 892 CB GLN A 63 -8.583 -0.416 -0.717 1.00 0.00 C ATOM 893 CG GLN A 63 -7.252 -0.641 -1.435 1.00 0.00 C ATOM 894 CD GLN A 63 -6.625 0.616 -2.051 1.00 0.00 C ATOM 895 OE1 GLN A 63 -6.523 0.742 -3.273 1.00 0.00 O ATOM 896 NE2 GLN A 63 -6.154 1.541 -1.235 1.00 0.00 N ATOM 0 H GLN A 63 -10.067 -2.362 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.985 -2.050 0.595 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.385 -0.355 -1.453 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.555 0.541 -0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.544 -1.072 -0.728 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.403 -1.377 -2.224 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.245 1.425 -0.226 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.699 2.372 -1.614 1.00 0.00 H new ATOM 905 N ASN A 64 -10.833 -1.054 1.759 1.00 0.00 N ATOM 906 CA ASN A 64 -11.542 -0.458 2.882 1.00 0.00 C ATOM 907 C ASN A 64 -11.982 -1.548 3.863 1.00 0.00 C ATOM 908 O ASN A 64 -12.170 -1.247 5.043 1.00 0.00 O ATOM 909 CB ASN A 64 -12.738 0.376 2.386 1.00 0.00 C ATOM 910 CG ASN A 64 -12.360 1.676 1.690 1.00 0.00 C ATOM 911 OD1 ASN A 64 -11.421 2.363 2.073 1.00 0.00 O ATOM 912 ND2 ASN A 64 -13.069 2.066 0.642 1.00 0.00 N ATOM 0 H ASN A 64 -11.437 -1.600 1.144 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.869 0.218 3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.327 -0.231 1.698 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.380 0.608 3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.832 2.933 0.160 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.852 1.499 0.317 1.00 0.00 H new ATOM 919 N LEU A 65 -12.096 -2.806 3.428 1.00 0.00 N ATOM 920 CA LEU A 65 -12.536 -3.905 4.277 1.00 0.00 C ATOM 921 C LEU A 65 -11.578 -4.136 5.446 1.00 0.00 C ATOM 922 O LEU A 65 -10.350 -4.126 5.297 1.00 0.00 O ATOM 923 CB LEU A 65 -12.654 -5.208 3.477 1.00 0.00 C ATOM 924 CG LEU A 65 -13.812 -5.299 2.473 1.00 0.00 C ATOM 925 CD1 LEU A 65 -13.820 -6.717 1.907 1.00 0.00 C ATOM 926 CD2 LEU A 65 -15.192 -5.020 3.075 1.00 0.00 C ATOM 0 H LEU A 65 -11.883 -3.087 2.471 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.514 -3.622 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.721 -5.360 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.750 -6.033 4.183 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.642 -4.532 1.718 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.633 -6.817 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.870 -6.916 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.963 -7.432 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.952 -5.105 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.398 -5.743 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.210 -4.013 3.492 1.00 0.00 H new ATOM 938 N SER A 66 -12.169 -4.407 6.607 1.00 0.00 N ATOM 939 CA SER A 66 -11.481 -4.785 7.830 1.00 0.00 C ATOM 940 C SER A 66 -10.796 -6.139 7.663 1.00 0.00 C ATOM 941 O SER A 66 -11.191 -6.956 6.832 1.00 0.00 O ATOM 942 CB SER A 66 -12.514 -4.817 8.958 1.00 0.00 C ATOM 943 OG SER A 66 -13.145 -3.551 9.046 1.00 0.00 O ATOM 0 H SER A 66 -13.182 -4.366 6.722 1.00 0.00 H new ATOM 0 HA SER A 66 -10.700 -4.063 8.068 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.255 -5.594 8.767 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.031 -5.063 9.904 1.00 0.00 H new ATOM 0 HG SER A 66 -13.809 -3.566 9.766 1.00 0.00 H new ATOM 949 N HIS A 67 -9.789 -6.410 8.490 1.00 0.00 N ATOM 950 CA HIS A 67 -8.974 -7.617 8.426 1.00 0.00 C ATOM 951 C HIS A 67 -9.867 -8.852 8.379 1.00 0.00 C ATOM 952 O HIS A 67 -9.786 -9.649 7.454 1.00 0.00 O ATOM 953 CB HIS A 67 -8.017 -7.615 9.628 1.00 0.00 C ATOM 954 CG HIS A 67 -7.113 -8.814 9.699 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.801 -8.852 9.294 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.423 -10.031 10.244 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.324 -10.067 9.623 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.261 -10.805 10.242 1.00 0.00 N ATOM 0 H HIS A 67 -9.512 -5.779 9.242 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.376 -7.639 7.515 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.404 -6.714 9.589 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.604 -7.562 10.545 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.392 -10.337 10.610 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.319 -10.405 9.416 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.147 -11.741 10.631 1.00 0.00 H new ATOM 966 N THR A 68 -10.768 -8.971 9.343 1.00 0.00 N ATOM 967 CA THR A 68 -11.664 -10.100 9.545 1.00 0.00 C ATOM 968 C THR A 68 -12.658 -10.287 8.387 1.00 0.00 C ATOM 969 O THR A 68 -13.261 -11.345 8.247 1.00 0.00 O ATOM 970 CB THR A 68 -12.424 -9.841 10.856 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.634 -9.118 11.795 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.874 -11.141 11.498 1.00 0.00 C ATOM 0 H THR A 68 -10.901 -8.242 10.044 1.00 0.00 H new ATOM 0 HA THR A 68 -11.078 -11.018 9.589 1.00 0.00 H new ATOM 0 HB THR A 68 -13.295 -9.242 10.590 1.00 0.00 H new ATOM 0 HG1 THR A 68 -12.152 -8.971 12.614 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.408 -10.924 12.423 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.534 -11.675 10.814 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.003 -11.759 11.718 1.00 0.00 H new ATOM 980 N GLU A 69 -12.855 -9.267 7.559 1.00 0.00 N ATOM 981 CA GLU A 69 -13.748 -9.300 6.411 1.00 0.00 C ATOM 982 C GLU A 69 -12.984 -9.837 5.202 1.00 0.00 C ATOM 983 O GLU A 69 -13.528 -10.608 4.413 1.00 0.00 O ATOM 984 CB GLU A 69 -14.286 -7.877 6.183 1.00 0.00 C ATOM 985 CG GLU A 69 -15.182 -7.428 7.344 1.00 0.00 C ATOM 986 CD GLU A 69 -16.551 -8.101 7.254 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.719 -9.238 7.747 1.00 0.00 O ATOM 988 OE2 GLU A 69 -17.474 -7.517 6.643 1.00 0.00 O ATOM 0 H GLU A 69 -12.383 -8.370 7.673 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.597 -9.963 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.452 -7.183 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.851 -7.844 5.251 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.709 -7.678 8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.300 -6.345 7.322 1.00 0.00 H new ATOM 995 N VAL A 70 -11.704 -9.478 5.088 1.00 0.00 N ATOM 996 CA VAL A 70 -10.819 -9.911 4.028 1.00 0.00 C ATOM 997 C VAL A 70 -10.427 -11.367 4.262 1.00 0.00 C ATOM 998 O VAL A 70 -10.483 -12.167 3.330 1.00 0.00 O ATOM 999 CB VAL A 70 -9.633 -8.935 3.974 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -8.597 -9.371 2.946 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -10.141 -7.537 3.592 1.00 0.00 C ATOM 0 H VAL A 70 -11.249 -8.857 5.758 1.00 0.00 H new ATOM 0 HA VAL A 70 -11.299 -9.888 3.050 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.165 -8.923 4.958 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.773 -8.658 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.218 -10.359 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.057 -9.409 1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.301 -6.843 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.623 -7.579 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.860 -7.195 4.336 1.00 0.00 H new ATOM 1011 N VAL A 71 -10.104 -11.736 5.504 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.913 -13.123 5.917 1.00 0.00 C ATOM 1013 C VAL A 71 -11.128 -13.939 5.485 1.00 0.00 C ATOM 1014 O VAL A 71 -10.965 -15.031 4.945 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.673 -13.181 7.443 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.594 -14.615 7.994 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.339 -12.520 7.788 1.00 0.00 C ATOM 0 H VAL A 71 -9.966 -11.066 6.261 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.034 -13.553 5.437 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.525 -12.669 7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.424 -14.582 9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.530 -15.135 7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.772 -15.145 7.513 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.178 -12.565 8.865 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.531 -13.044 7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.355 -11.478 7.467 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.329 -13.403 5.687 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.558 -14.149 5.398 1.00 0.00 C ATOM 1029 C ASP A 72 -13.726 -14.458 3.919 1.00 0.00 C ATOM 1030 O ASP A 72 -14.034 -15.595 3.558 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.819 -13.503 5.987 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.459 -14.477 6.970 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -16.232 -15.370 6.560 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -15.143 -14.417 8.181 1.00 0.00 O ATOM 0 H ASP A 72 -12.481 -12.461 6.047 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.434 -15.102 5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.565 -12.571 6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -15.522 -13.254 5.192 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.445 -13.485 3.055 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.449 -13.693 1.611 1.00 0.00 C ATOM 1041 C ILE A 73 -12.414 -14.760 1.263 1.00 0.00 C ATOM 1042 O ILE A 73 -12.681 -15.660 0.473 1.00 0.00 O ATOM 1043 CB ILE A 73 -13.160 -12.363 0.891 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.284 -11.352 1.182 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -13.048 -12.567 -0.631 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.789 -9.913 1.094 1.00 0.00 C ATOM 0 H ILE A 73 -13.209 -12.533 3.336 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.428 -14.040 1.279 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.210 -11.981 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -15.098 -11.500 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.690 -11.536 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.844 -11.611 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.236 -13.262 -0.846 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.984 -12.973 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.613 -9.231 1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.993 -9.757 1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.407 -9.720 0.091 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.221 -14.684 1.851 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.171 -15.644 1.560 1.00 0.00 C ATOM 1060 C LEU A 74 -10.552 -17.049 2.028 1.00 0.00 C ATOM 1061 O LEU A 74 -10.136 -18.008 1.376 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.831 -15.196 2.145 1.00 0.00 C ATOM 1063 CG LEU A 74 -8.331 -13.856 1.572 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -7.295 -13.268 2.532 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.790 -14.013 0.142 1.00 0.00 C ATOM 0 H LEU A 74 -10.963 -13.967 2.529 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.054 -15.687 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.927 -15.107 3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.084 -15.966 1.954 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.166 -13.160 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.932 -12.318 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.754 -13.105 3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.460 -13.961 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.448 -13.046 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.957 -14.716 0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.581 -14.388 -0.507 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.336 -17.236 3.101 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.963 -18.527 3.395 1.00 0.00 C ATOM 1079 C LYS A 75 -12.930 -18.938 2.289 1.00 0.00 C ATOM 1080 O LYS A 75 -12.879 -20.094 1.875 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.690 -18.473 4.742 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.669 -18.217 5.852 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.269 -18.096 7.242 1.00 0.00 C ATOM 1084 CE LYS A 75 -13.156 -16.875 7.441 1.00 0.00 C ATOM 1085 NZ LYS A 75 -13.932 -16.888 8.695 1.00 0.00 N ATOM 0 H LYS A 75 -11.549 -16.505 3.779 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.174 -19.277 3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.441 -17.683 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.216 -19.410 4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.941 -19.028 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.125 -17.301 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.853 -18.992 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.460 -18.065 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.533 -15.981 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.846 -16.801 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.483 -16.009 8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.578 -17.703 8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.283 -16.961 9.504 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.749 -18.016 1.789 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.744 -18.256 0.742 1.00 0.00 C ATOM 1101 C ASP A 76 -14.111 -18.742 -0.573 1.00 0.00 C ATOM 1102 O ASP A 76 -14.698 -19.568 -1.280 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.555 -16.965 0.526 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.960 -17.242 0.016 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.722 -17.952 0.712 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.370 -16.686 -1.029 1.00 0.00 O ATOM 0 H ASP A 76 -13.739 -17.048 2.111 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.404 -19.059 1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.614 -16.415 1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.033 -16.326 -0.186 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.889 -18.277 -0.874 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.103 -18.674 -2.043 1.00 0.00 C ATOM 1113 C CYS A 77 -11.944 -20.202 -2.133 1.00 0.00 C ATOM 1114 O CYS A 77 -11.657 -20.864 -1.128 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.720 -18.016 -1.998 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.843 -16.206 -2.147 1.00 0.00 S ATOM 0 H CYS A 77 -12.409 -17.593 -0.289 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.642 -18.338 -2.928 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.223 -18.273 -1.063 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.102 -18.408 -2.806 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.545 -15.736 -1.159 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.044 -20.765 -3.344 1.00 0.00 N ATOM 1123 CA PRO A 78 -11.992 -22.193 -3.573 1.00 0.00 C ATOM 1124 C PRO A 78 -10.591 -22.720 -3.275 1.00 0.00 C ATOM 1125 O PRO A 78 -9.592 -22.276 -3.845 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.435 -22.383 -5.022 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.172 -21.038 -5.704 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.156 -20.029 -4.587 1.00 0.00 C ATOM 0 HA PRO A 78 -12.646 -22.765 -2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.874 -23.184 -5.503 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.489 -22.653 -5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -11.223 -21.047 -6.241 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.949 -20.807 -6.433 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.319 -19.341 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.066 -19.429 -4.598 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.523 -23.676 -2.352 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.303 -24.397 -2.034 1.00 0.00 C ATOM 1138 C ILE A 79 -8.832 -25.136 -3.291 1.00 0.00 C ATOM 1139 O ILE A 79 -9.634 -25.522 -4.152 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.560 -25.276 -0.792 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.564 -24.356 0.452 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.502 -26.378 -0.608 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -10.317 -24.932 1.649 1.00 0.00 C ATOM 0 H ILE A 79 -11.327 -23.972 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.478 -23.741 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.517 -25.780 -0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.534 -24.156 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.010 -23.399 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.737 -26.963 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.501 -27.030 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.518 -25.923 -0.494 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -10.273 -24.228 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.358 -25.106 1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -9.858 -25.874 1.948 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.509 -25.264 -3.413 1.00 0.00 N ATOM 1156 CA GLY A 80 -6.850 -25.941 -4.519 1.00 0.00 C ATOM 1157 C GLY A 80 -7.138 -25.328 -5.887 1.00 0.00 C ATOM 1158 O GLY A 80 -6.781 -25.943 -6.889 1.00 0.00 O ATOM 0 H GLY A 80 -6.855 -24.889 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.774 -25.930 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.161 -26.986 -4.528 1.00 0.00 H new ATOM 1162 N SER A 81 -7.772 -24.154 -5.939 1.00 0.00 N ATOM 1163 CA SER A 81 -8.159 -23.452 -7.153 1.00 0.00 C ATOM 1164 C SER A 81 -7.490 -22.076 -7.143 1.00 0.00 C ATOM 1165 O SER A 81 -6.868 -21.708 -6.142 1.00 0.00 O ATOM 1166 CB SER A 81 -9.684 -23.336 -7.145 1.00 0.00 C ATOM 1167 OG SER A 81 -10.277 -24.588 -6.814 1.00 0.00 O ATOM 0 H SER A 81 -8.039 -23.649 -5.094 1.00 0.00 H new ATOM 0 HA SER A 81 -7.846 -23.977 -8.055 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.993 -22.579 -6.425 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.035 -23.008 -8.123 1.00 0.00 H new ATOM 0 HG SER A 81 -10.124 -24.782 -5.866 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.606 -21.315 -8.227 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.927 -20.035 -8.368 1.00 0.00 C ATOM 1175 C GLU A 82 -7.703 -18.908 -7.669 1.00 0.00 C ATOM 1176 O GLU A 82 -8.920 -18.986 -7.467 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.658 -19.725 -9.846 1.00 0.00 C ATOM 1178 CG GLU A 82 -5.376 -20.394 -10.379 1.00 0.00 C ATOM 1179 CD GLU A 82 -5.548 -21.893 -10.658 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.428 -22.725 -9.731 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -5.831 -22.233 -11.833 1.00 0.00 O ATOM 0 H GLU A 82 -8.176 -21.571 -9.034 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.961 -20.103 -7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.509 -20.057 -10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.579 -18.646 -9.976 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.067 -19.893 -11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.573 -20.256 -9.655 1.00 0.00 H new ATOM 1188 N THR A 83 -6.992 -17.863 -7.242 1.00 0.00 N ATOM 1189 CA THR A 83 -7.542 -16.666 -6.611 1.00 0.00 C ATOM 1190 C THR A 83 -6.750 -15.437 -7.100 1.00 0.00 C ATOM 1191 O THR A 83 -5.541 -15.536 -7.315 1.00 0.00 O ATOM 1192 CB THR A 83 -7.497 -16.893 -5.087 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.228 -18.046 -4.716 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.084 -15.746 -4.283 1.00 0.00 C ATOM 0 H THR A 83 -5.976 -17.828 -7.331 1.00 0.00 H new ATOM 0 HA THR A 83 -8.580 -16.474 -6.881 1.00 0.00 H new ATOM 0 HB THR A 83 -6.435 -16.993 -4.863 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.051 -18.257 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.018 -15.976 -3.220 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.527 -14.833 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.129 -15.605 -4.560 1.00 0.00 H new ATOM 1202 N SER A 84 -7.413 -14.287 -7.284 1.00 0.00 N ATOM 1203 CA SER A 84 -7.013 -13.166 -8.132 1.00 0.00 C ATOM 1204 C SER A 84 -6.638 -11.975 -7.246 1.00 0.00 C ATOM 1205 O SER A 84 -7.541 -11.429 -6.607 1.00 0.00 O ATOM 1206 CB SER A 84 -8.216 -12.781 -9.026 1.00 0.00 C ATOM 1207 OG SER A 84 -8.992 -13.884 -9.474 1.00 0.00 O ATOM 0 H SER A 84 -8.299 -14.108 -6.812 1.00 0.00 H new ATOM 0 HA SER A 84 -6.158 -13.442 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.861 -12.100 -8.472 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.847 -12.235 -9.895 1.00 0.00 H new ATOM 0 HG SER A 84 -9.731 -13.560 -10.030 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.364 -11.596 -7.099 1.00 0.00 N ATOM 1214 CA LEU A 85 -4.974 -10.600 -6.095 1.00 0.00 C ATOM 1215 C LEU A 85 -4.201 -9.436 -6.725 1.00 0.00 C ATOM 1216 O LEU A 85 -3.051 -9.611 -7.139 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.144 -11.220 -4.953 1.00 0.00 C ATOM 1218 CG LEU A 85 -4.964 -11.672 -3.734 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.646 -13.009 -3.985 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.069 -11.795 -2.496 1.00 0.00 C ATOM 0 H LEU A 85 -4.591 -11.960 -7.657 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.902 -10.216 -5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.597 -12.078 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.402 -10.492 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.728 -10.913 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.217 -13.298 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.318 -12.920 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.892 -13.768 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.668 -12.116 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.285 -12.528 -2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.616 -10.828 -2.277 1.00 0.00 H new ATOM 1232 N ILE A 86 -4.807 -8.244 -6.727 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.189 -6.973 -7.118 1.00 0.00 C ATOM 1234 C ILE A 86 -3.500 -6.365 -5.889 1.00 0.00 C ATOM 1235 O ILE A 86 -4.142 -6.271 -4.831 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.225 -5.995 -7.699 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.131 -6.733 -8.713 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.500 -4.797 -8.334 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.923 -5.832 -9.654 1.00 0.00 C ATOM 0 H ILE A 86 -5.781 -8.134 -6.445 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.455 -7.161 -7.902 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.867 -5.612 -6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.511 -7.400 -9.312 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.832 -7.359 -8.161 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.234 -4.104 -8.746 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.906 -4.288 -7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.846 -5.149 -9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.525 -6.446 -10.324 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.576 -5.182 -9.072 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.235 -5.223 -10.240 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.234 -5.954 -6.004 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.410 -5.457 -4.903 1.00 0.00 C ATOM 1253 C ILE A 87 -0.663 -4.178 -5.303 1.00 0.00 C ATOM 1254 O ILE A 87 -0.321 -3.994 -6.478 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.472 -6.578 -4.376 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.684 -6.940 -5.344 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.310 -7.834 -4.059 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.955 -6.110 -5.122 1.00 0.00 C ATOM 0 H ILE A 87 -1.740 -5.959 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.059 -5.177 -4.073 1.00 0.00 H new ATOM 0 HB ILE A 87 0.005 -6.191 -3.476 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.926 -7.997 -5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.344 -6.801 -6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.656 -8.624 -3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.054 -7.593 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.813 -8.174 -4.964 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.720 -6.418 -5.835 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.729 -5.053 -5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.320 -6.268 -4.107 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.392 -3.301 -4.325 1.00 0.00 N ATOM 1271 CA HIS A 88 0.090 -1.941 -4.567 1.00 0.00 C ATOM 1272 C HIS A 88 1.591 -1.931 -4.904 1.00 0.00 C ATOM 1273 O HIS A 88 2.440 -1.640 -4.054 1.00 0.00 O ATOM 1274 CB HIS A 88 -0.307 -1.061 -3.367 1.00 0.00 C ATOM 1275 CG HIS A 88 -0.450 0.432 -3.540 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -0.988 1.277 -2.589 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -0.160 1.189 -4.642 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -1.028 2.513 -3.106 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -0.499 2.517 -4.344 1.00 0.00 N ATOM 0 H HIS A 88 -0.504 -3.522 -3.336 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.383 -1.513 -5.451 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.259 -1.436 -2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.433 -1.227 -2.584 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.255 0.829 -5.572 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.427 3.381 -2.602 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.370 3.329 -4.948 1.00 0.00 H new ATOM 1287 N ARG A 89 1.937 -2.298 -6.141 1.00 0.00 N ATOM 1288 CA ARG A 89 3.283 -2.253 -6.719 1.00 0.00 C ATOM 1289 C ARG A 89 3.147 -2.073 -8.242 1.00 0.00 C ATOM 1290 O ARG A 89 2.030 -1.916 -8.740 1.00 0.00 O ATOM 1291 CB ARG A 89 4.045 -3.534 -6.309 1.00 0.00 C ATOM 1292 CG ARG A 89 5.570 -3.465 -6.519 1.00 0.00 C ATOM 1293 CD ARG A 89 6.327 -4.557 -5.759 1.00 0.00 C ATOM 1294 NE ARG A 89 6.340 -4.306 -4.310 1.00 0.00 N ATOM 1295 CZ ARG A 89 7.033 -4.989 -3.395 1.00 0.00 C ATOM 1296 NH1 ARG A 89 7.799 -6.013 -3.760 1.00 0.00 N ATOM 1297 NH2 ARG A 89 6.989 -4.607 -2.122 1.00 0.00 N ATOM 0 H ARG A 89 1.247 -2.654 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 89 3.866 -1.411 -6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.845 -3.740 -5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.650 -4.375 -6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.789 -3.552 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.932 -2.488 -6.198 1.00 0.00 H new ATOM 0 HD2 ARG A 89 5.864 -5.524 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.351 -4.613 -6.127 1.00 0.00 H new ATOM 0 HE ARG A 89 5.764 -3.536 -3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.859 -6.280 -4.743 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.326 -6.531 -3.057 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.429 -3.798 -1.851 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.515 -5.123 -1.416 1.00 0.00 H new