USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 591 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 Single : A 8 SER OG : rot 25:sc= 0.358 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= -0.188 (180deg=-2.29) USER MOD Single : A 15 THR OG1 : rot -66:sc= -1.98 USER MOD Single : A 17 THR OG1 : rot -44:sc= 1.09 USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 0.0888 (180deg=0.0136) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.99 USER MOD Single : A 33 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.06 K(o=-2.1,f=-3.9) USER MOD Single : A 49 GLN : amide:sc= -9.19! C(o=-9.2!,f=-13!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 73:sc= 0.955 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -144:sc= 0.32 USER MOD Single : A 68 ASN : amide:sc= -0.0165 X(o=-0.017,f=-0.046) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= -0.0519 (180deg=-0.263) USER MOD Single : A 73 SER OG : rot -50:sc= 0.0493 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -4.465 10.076 -16.358 1.00 0.00 N ATOM 100 CA SER A 8 -5.447 10.846 -15.603 1.00 0.00 C ATOM 101 C SER A 8 -6.562 11.347 -16.516 1.00 0.00 C ATOM 102 O SER A 8 -6.406 11.395 -17.735 1.00 0.00 O ATOM 103 CB SER A 8 -4.772 12.028 -14.906 1.00 0.00 C ATOM 104 OG SER A 8 -3.530 11.645 -14.340 1.00 0.00 O ATOM 0 HA SER A 8 -5.885 10.192 -14.849 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.616 12.835 -15.622 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.427 12.416 -14.126 1.00 0.00 H new ATOM 0 HG SER A 8 -3.177 10.868 -14.822 1.00 0.00 H new ATOM 110 N MET A 9 -7.687 11.720 -15.915 1.00 0.00 N ATOM 111 CA MET A 9 -8.828 12.220 -16.672 1.00 0.00 C ATOM 112 C MET A 9 -9.725 13.089 -15.795 1.00 0.00 C ATOM 113 O MET A 9 -10.035 12.727 -14.660 1.00 0.00 O ATOM 114 CB MET A 9 -9.634 11.055 -17.249 1.00 0.00 C ATOM 115 CG MET A 9 -11.069 11.420 -17.594 1.00 0.00 C ATOM 116 SD MET A 9 -11.778 10.339 -18.851 1.00 0.00 S ATOM 117 CE MET A 9 -12.616 9.133 -17.826 1.00 0.00 C ATOM 0 H MET A 9 -7.833 11.685 -14.906 1.00 0.00 H new ATOM 0 HA MET A 9 -8.449 12.831 -17.491 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.135 10.688 -18.146 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.639 10.236 -16.530 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.679 11.371 -16.692 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.103 12.451 -17.946 1.00 0.00 H new ATOM 0 HE1 MET A 9 -13.105 8.394 -18.460 1.00 0.00 H new ATOM 0 HE2 MET A 9 -11.890 8.636 -17.182 1.00 0.00 H new ATOM 0 HE3 MET A 9 -13.363 9.635 -17.211 1.00 0.00 H new ATOM 127 N GLN A 10 -10.137 14.234 -16.329 1.00 0.00 N ATOM 128 CA GLN A 10 -10.996 15.153 -15.593 1.00 0.00 C ATOM 129 C GLN A 10 -12.452 14.997 -16.020 1.00 0.00 C ATOM 130 O GLN A 10 -12.767 15.026 -17.210 1.00 0.00 O ATOM 131 CB GLN A 10 -10.541 16.597 -15.812 1.00 0.00 C ATOM 132 CG GLN A 10 -10.549 17.437 -14.545 1.00 0.00 C ATOM 133 CD GLN A 10 -9.165 17.914 -14.153 1.00 0.00 C ATOM 134 OE1 GLN A 10 -8.735 19.000 -14.546 1.00 0.00 O ATOM 135 NE2 GLN A 10 -8.457 17.105 -13.374 1.00 0.00 N ATOM 0 H GLN A 10 -9.890 14.547 -17.268 1.00 0.00 H new ATOM 0 HA GLN A 10 -10.919 14.912 -14.533 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.534 16.592 -16.228 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.190 17.065 -16.552 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.199 18.300 -14.690 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -10.972 16.852 -13.728 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.851 16.214 -13.071 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.519 17.374 -13.078 1.00 0.00 H new ATOM 144 N ILE A 11 -13.336 14.830 -15.041 1.00 0.00 N ATOM 145 CA ILE A 11 -14.758 14.669 -15.316 1.00 0.00 C ATOM 146 C ILE A 11 -15.589 15.659 -14.508 1.00 0.00 C ATOM 147 O ILE A 11 -15.104 16.254 -13.545 1.00 0.00 O ATOM 148 CB ILE A 11 -15.234 13.239 -15.001 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.049 12.932 -13.513 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.480 12.229 -15.853 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.646 11.608 -13.090 1.00 0.00 C ATOM 0 H ILE A 11 -13.092 14.803 -14.051 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.898 14.863 -16.379 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.295 13.165 -15.239 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.984 12.932 -13.280 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.504 13.730 -12.926 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.828 11.223 -15.618 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.658 12.438 -16.908 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.413 12.302 -15.644 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.477 11.457 -12.024 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.717 11.611 -13.291 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.174 10.801 -13.650 1.00 0.00 H new ATOM 163 N PHE A 12 -16.846 15.831 -14.904 1.00 0.00 N ATOM 164 CA PHE A 12 -17.746 16.749 -14.216 1.00 0.00 C ATOM 165 C PHE A 12 -18.855 15.986 -13.497 1.00 0.00 C ATOM 166 O PHE A 12 -19.539 15.153 -14.093 1.00 0.00 O ATOM 167 CB PHE A 12 -18.356 17.740 -15.210 1.00 0.00 C ATOM 168 CG PHE A 12 -17.357 18.705 -15.782 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.486 19.394 -14.953 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.289 18.923 -17.148 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.567 20.283 -15.477 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.372 19.811 -17.678 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.509 20.491 -16.841 1.00 0.00 C ATOM 0 H PHE A 12 -17.264 15.346 -15.698 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.167 17.299 -13.474 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.822 17.185 -16.025 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.148 18.301 -14.713 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.526 19.234 -13.886 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.961 18.393 -17.807 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -14.895 20.815 -14.820 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.330 19.973 -18.745 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.790 21.184 -17.252 1.00 0.00 H new ATOM 183 N VAL A 13 -19.027 16.276 -12.211 1.00 0.00 N ATOM 184 CA VAL A 13 -20.052 15.619 -11.409 1.00 0.00 C ATOM 185 C VAL A 13 -20.925 16.641 -10.689 1.00 0.00 C ATOM 186 O VAL A 13 -20.442 17.680 -10.240 1.00 0.00 O ATOM 187 CB VAL A 13 -19.429 14.669 -10.370 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.510 13.857 -9.672 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.407 13.755 -11.029 1.00 0.00 C ATOM 0 H VAL A 13 -18.469 16.962 -11.702 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.668 15.039 -12.096 1.00 0.00 H new ATOM 0 HB VAL A 13 -18.916 15.268 -9.618 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.050 13.191 -8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.201 14.531 -9.165 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.054 13.266 -10.409 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -17.977 13.090 -10.280 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -18.895 13.162 -11.803 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.616 14.357 -11.477 1.00 0.00 H new ATOM 199 N LYS A 14 -22.214 16.338 -10.581 1.00 0.00 N ATOM 200 CA LYS A 14 -23.157 17.228 -9.913 1.00 0.00 C ATOM 201 C LYS A 14 -23.654 16.614 -8.608 1.00 0.00 C ATOM 202 O LYS A 14 -24.215 15.518 -8.599 1.00 0.00 O ATOM 203 CB LYS A 14 -24.343 17.530 -10.832 1.00 0.00 C ATOM 204 CG LYS A 14 -24.047 18.588 -11.880 1.00 0.00 C ATOM 205 CD LYS A 14 -23.216 18.025 -13.021 1.00 0.00 C ATOM 206 CE LYS A 14 -23.202 18.965 -14.217 1.00 0.00 C ATOM 207 NZ LYS A 14 -24.550 19.096 -14.836 1.00 0.00 N ATOM 0 H LYS A 14 -22.630 15.482 -10.948 1.00 0.00 H new ATOM 0 HA LYS A 14 -22.639 18.158 -9.681 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.647 16.611 -11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.187 17.858 -10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -24.983 18.985 -12.272 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.516 19.420 -11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.195 17.854 -12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -23.618 17.057 -13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.850 19.947 -13.902 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.495 18.596 -14.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.451 19.182 -15.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.118 18.254 -14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.023 19.943 -14.462 1.00 0.00 H new ATOM 221 N THR A 15 -23.445 17.328 -7.506 1.00 0.00 N ATOM 222 CA THR A 15 -23.872 16.854 -6.196 1.00 0.00 C ATOM 223 C THR A 15 -25.371 17.052 -6.002 1.00 0.00 C ATOM 224 O THR A 15 -26.069 17.517 -6.904 1.00 0.00 O ATOM 225 CB THR A 15 -23.119 17.578 -5.064 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.417 18.979 -5.095 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.618 17.370 -5.193 1.00 0.00 C ATOM 0 H THR A 15 -22.982 18.237 -7.495 1.00 0.00 H new ATOM 0 HA THR A 15 -23.640 15.790 -6.154 1.00 0.00 H new ATOM 0 HB THR A 15 -23.447 17.159 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.049 19.374 -5.913 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.108 17.891 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.392 16.305 -5.139 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.277 17.765 -6.150 1.00 0.00 H new ATOM 235 N LEU A 16 -25.862 16.695 -4.820 1.00 0.00 N ATOM 236 CA LEU A 16 -27.280 16.834 -4.506 1.00 0.00 C ATOM 237 C LEU A 16 -27.640 18.294 -4.251 1.00 0.00 C ATOM 238 O LEU A 16 -28.810 18.675 -4.304 1.00 0.00 O ATOM 239 CB LEU A 16 -27.637 15.987 -3.284 1.00 0.00 C ATOM 240 CG LEU A 16 -27.037 16.442 -1.953 1.00 0.00 C ATOM 241 CD1 LEU A 16 -27.944 17.460 -1.279 1.00 0.00 C ATOM 242 CD2 LEU A 16 -26.800 15.249 -1.039 1.00 0.00 C ATOM 0 H LEU A 16 -25.299 16.307 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 16 -27.854 16.482 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -28.722 15.970 -3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -27.318 14.962 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.077 16.917 -2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.501 17.772 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -28.063 18.328 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.919 17.011 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.373 15.592 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -27.747 14.745 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -26.110 14.555 -1.519 1.00 0.00 H new ATOM 254 N THR A 17 -26.627 19.109 -3.974 1.00 0.00 N ATOM 255 CA THR A 17 -26.837 20.527 -3.712 1.00 0.00 C ATOM 256 C THR A 17 -26.641 21.355 -4.976 1.00 0.00 C ATOM 257 O THR A 17 -26.261 22.524 -4.913 1.00 0.00 O ATOM 258 CB THR A 17 -25.880 21.044 -2.620 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.176 22.412 -2.317 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.431 20.920 -3.068 1.00 0.00 C ATOM 0 H THR A 17 -25.653 18.811 -3.925 1.00 0.00 H new ATOM 0 HA THR A 17 -27.865 20.635 -3.366 1.00 0.00 H new ATOM 0 HB THR A 17 -26.021 20.436 -1.726 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.320 22.908 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.774 21.291 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.201 19.874 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.279 21.506 -3.974 1.00 0.00 H new ATOM 268 N GLY A 18 -26.905 20.742 -6.126 1.00 0.00 N ATOM 269 CA GLY A 18 -26.753 21.439 -7.390 1.00 0.00 C ATOM 270 C GLY A 18 -25.390 22.086 -7.535 1.00 0.00 C ATOM 271 O GLY A 18 -25.262 23.159 -8.126 1.00 0.00 O ATOM 0 H GLY A 18 -27.221 19.775 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -26.908 20.737 -8.209 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.525 22.203 -7.475 1.00 0.00 H new ATOM 275 N LYS A 19 -24.366 21.435 -6.992 1.00 0.00 N ATOM 276 CA LYS A 19 -23.005 21.953 -7.063 1.00 0.00 C ATOM 277 C LYS A 19 -22.133 21.071 -7.951 1.00 0.00 C ATOM 278 O LYS A 19 -22.068 19.855 -7.765 1.00 0.00 O ATOM 279 CB LYS A 19 -22.398 22.042 -5.661 1.00 0.00 C ATOM 280 CG LYS A 19 -20.963 22.537 -5.650 1.00 0.00 C ATOM 281 CD LYS A 19 -19.974 21.383 -5.660 1.00 0.00 C ATOM 282 CE LYS A 19 -18.619 21.804 -5.113 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.035 22.933 -5.889 1.00 0.00 N ATOM 0 H LYS A 19 -24.454 20.547 -6.498 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.045 22.951 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.008 22.709 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.438 21.058 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.790 23.173 -6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.796 23.152 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.368 20.560 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.857 21.012 -6.678 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.724 22.097 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.937 20.954 -5.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.025 23.025 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.144 22.748 -6.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.528 23.815 -5.643 1.00 0.00 H new ATOM 297 N THR A 20 -21.461 21.691 -8.916 1.00 0.00 N ATOM 298 CA THR A 20 -20.593 20.963 -9.832 1.00 0.00 C ATOM 299 C THR A 20 -19.180 20.842 -9.271 1.00 0.00 C ATOM 300 O THR A 20 -18.559 21.841 -8.907 1.00 0.00 O ATOM 301 CB THR A 20 -20.528 21.649 -11.210 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.748 22.355 -11.463 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.288 20.629 -12.312 1.00 0.00 C ATOM 0 H THR A 20 -21.502 22.696 -9.083 1.00 0.00 H new ATOM 0 HA THR A 20 -21.022 19.968 -9.949 1.00 0.00 H new ATOM 0 HB THR A 20 -19.696 22.353 -11.202 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.699 22.790 -12.340 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.246 21.137 -13.275 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.344 20.114 -12.132 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.101 19.903 -12.320 1.00 0.00 H new ATOM 311 N ILE A 21 -18.679 19.613 -9.204 1.00 0.00 N ATOM 312 CA ILE A 21 -17.339 19.362 -8.689 1.00 0.00 C ATOM 313 C ILE A 21 -16.519 18.532 -9.671 1.00 0.00 C ATOM 314 O ILE A 21 -16.996 17.531 -10.205 1.00 0.00 O ATOM 315 CB ILE A 21 -17.384 18.635 -7.332 1.00 0.00 C ATOM 316 CG1 ILE A 21 -15.971 18.255 -6.885 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.267 17.400 -7.423 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.575 16.846 -7.266 1.00 0.00 C ATOM 0 H ILE A 21 -19.181 18.776 -9.500 1.00 0.00 H new ATOM 0 HA ILE A 21 -16.865 20.335 -8.555 1.00 0.00 H new ATOM 0 HB ILE A 21 -17.810 19.309 -6.589 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.260 18.955 -7.323 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.899 18.364 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.289 16.897 -6.456 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.279 17.696 -7.701 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.867 16.721 -8.176 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.562 16.646 -6.917 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.264 16.137 -6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.614 16.738 -8.350 1.00 0.00 H new ATOM 330 N THR A 22 -15.280 18.955 -9.904 1.00 0.00 N ATOM 331 CA THR A 22 -14.392 18.250 -10.820 1.00 0.00 C ATOM 332 C THR A 22 -13.695 17.086 -10.125 1.00 0.00 C ATOM 333 O THR A 22 -13.130 17.245 -9.042 1.00 0.00 O ATOM 334 CB THR A 22 -13.326 19.195 -11.407 1.00 0.00 C ATOM 335 OG1 THR A 22 -13.849 20.525 -11.501 1.00 0.00 O ATOM 336 CG2 THR A 22 -12.882 18.722 -12.783 1.00 0.00 C ATOM 0 H THR A 22 -14.869 19.782 -9.471 1.00 0.00 H new ATOM 0 HA THR A 22 -15.013 17.866 -11.629 1.00 0.00 H new ATOM 0 HB THR A 22 -12.462 19.190 -10.742 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.165 21.120 -11.873 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.129 19.405 -13.177 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.458 17.721 -12.704 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.740 18.701 -13.455 1.00 0.00 H new ATOM 344 N LEU A 23 -13.738 15.917 -10.754 1.00 0.00 N ATOM 345 CA LEU A 23 -13.109 14.725 -10.196 1.00 0.00 C ATOM 346 C LEU A 23 -12.079 14.149 -11.162 1.00 0.00 C ATOM 347 O LEU A 23 -12.287 14.145 -12.375 1.00 0.00 O ATOM 348 CB LEU A 23 -14.169 13.669 -9.874 1.00 0.00 C ATOM 349 CG LEU A 23 -13.857 12.743 -8.697 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.678 13.546 -7.418 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.958 11.706 -8.528 1.00 0.00 C ATOM 0 H LEU A 23 -14.202 15.769 -11.650 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.597 15.011 -9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.111 14.179 -9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.324 13.056 -10.762 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.923 12.222 -8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.457 12.870 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.854 14.249 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.594 14.095 -7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.719 11.056 -7.686 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.906 12.209 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -15.038 11.109 -9.436 1.00 0.00 H new ATOM 363 N GLU A 24 -10.970 13.662 -10.615 1.00 0.00 N ATOM 364 CA GLU A 24 -9.908 13.083 -11.430 1.00 0.00 C ATOM 365 C GLU A 24 -9.886 11.563 -11.295 1.00 0.00 C ATOM 366 O GLU A 24 -9.811 11.027 -10.189 1.00 0.00 O ATOM 367 CB GLU A 24 -8.550 13.661 -11.024 1.00 0.00 C ATOM 368 CG GLU A 24 -7.374 12.782 -11.413 1.00 0.00 C ATOM 369 CD GLU A 24 -6.126 13.583 -11.731 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.136 14.323 -12.737 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.140 13.471 -10.973 1.00 0.00 O ATOM 0 H GLU A 24 -10.783 13.657 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.106 13.336 -12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.429 14.641 -11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.537 13.814 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.159 12.089 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.646 12.181 -12.281 1.00 0.00 H new ATOM 378 N VAL A 25 -9.954 10.873 -12.429 1.00 0.00 N ATOM 379 CA VAL A 25 -9.942 9.415 -12.439 1.00 0.00 C ATOM 380 C VAL A 25 -9.162 8.880 -13.635 1.00 0.00 C ATOM 381 O VAL A 25 -8.743 9.642 -14.506 1.00 0.00 O ATOM 382 CB VAL A 25 -11.371 8.842 -12.475 1.00 0.00 C ATOM 383 CG1 VAL A 25 -11.470 7.600 -11.603 1.00 0.00 C ATOM 384 CG2 VAL A 25 -12.378 9.895 -12.034 1.00 0.00 C ATOM 0 H VAL A 25 -10.018 11.300 -13.353 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.454 9.096 -11.518 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.604 8.556 -13.501 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.487 7.209 -11.641 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.776 6.843 -11.968 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.218 7.857 -10.574 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.383 9.473 -12.065 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.150 10.213 -11.017 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.324 10.753 -12.704 1.00 0.00 H new ATOM 394 N GLU A 26 -8.973 7.565 -13.671 1.00 0.00 N ATOM 395 CA GLU A 26 -8.243 6.928 -14.761 1.00 0.00 C ATOM 396 C GLU A 26 -9.200 6.229 -15.721 1.00 0.00 C ATOM 397 O GLU A 26 -10.305 5.829 -15.354 1.00 0.00 O ATOM 398 CB GLU A 26 -7.232 5.922 -14.208 1.00 0.00 C ATOM 399 CG GLU A 26 -6.473 6.426 -12.991 1.00 0.00 C ATOM 400 CD GLU A 26 -5.540 5.382 -12.411 1.00 0.00 C ATOM 401 OE1 GLU A 26 -4.857 4.693 -13.198 1.00 0.00 O ATOM 402 OE2 GLU A 26 -5.491 5.254 -11.170 1.00 0.00 O ATOM 0 H GLU A 26 -9.315 6.920 -12.959 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.709 7.704 -15.309 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.755 5.002 -13.944 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.518 5.669 -14.992 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.897 7.309 -13.267 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.185 6.736 -12.226 1.00 0.00 H new ATOM 409 N PRO A 27 -8.767 6.078 -16.982 1.00 0.00 N ATOM 410 CA PRO A 27 -9.570 5.427 -18.021 1.00 0.00 C ATOM 411 C PRO A 27 -9.715 3.927 -17.788 1.00 0.00 C ATOM 412 O PRO A 27 -10.556 3.271 -18.403 1.00 0.00 O ATOM 413 CB PRO A 27 -8.775 5.694 -19.302 1.00 0.00 C ATOM 414 CG PRO A 27 -7.371 5.884 -18.844 1.00 0.00 C ATOM 415 CD PRO A 27 -7.461 6.530 -17.489 1.00 0.00 C ATOM 0 HA PRO A 27 -10.590 5.810 -18.047 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.855 4.859 -19.998 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.145 6.578 -19.821 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.847 4.930 -18.787 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.815 6.513 -19.540 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.646 6.214 -16.838 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.411 7.617 -17.558 1.00 0.00 H new ATOM 423 N SER A 28 -8.890 3.389 -16.895 1.00 0.00 N ATOM 424 CA SER A 28 -8.924 1.965 -16.582 1.00 0.00 C ATOM 425 C SER A 28 -9.483 1.730 -15.182 1.00 0.00 C ATOM 426 O SER A 28 -9.805 0.601 -14.812 1.00 0.00 O ATOM 427 CB SER A 28 -7.522 1.363 -16.692 1.00 0.00 C ATOM 428 OG SER A 28 -6.526 2.343 -16.457 1.00 0.00 O ATOM 0 H SER A 28 -8.190 3.918 -16.375 1.00 0.00 H new ATOM 0 HA SER A 28 -9.579 1.475 -17.303 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.414 0.551 -15.973 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.385 0.931 -17.683 1.00 0.00 H new ATOM 0 HG SER A 28 -5.639 1.933 -16.531 1.00 0.00 H new ATOM 434 N ASP A 29 -9.593 2.804 -14.408 1.00 0.00 N ATOM 435 CA ASP A 29 -10.113 2.716 -13.048 1.00 0.00 C ATOM 436 C ASP A 29 -11.557 2.222 -13.049 1.00 0.00 C ATOM 437 O ASP A 29 -12.280 2.387 -14.032 1.00 0.00 O ATOM 438 CB ASP A 29 -10.028 4.078 -12.358 1.00 0.00 C ATOM 439 CG ASP A 29 -8.675 4.318 -11.717 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.718 3.595 -12.063 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.573 5.229 -10.868 1.00 0.00 O ATOM 0 H ASP A 29 -9.329 3.745 -14.699 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.503 2.000 -12.498 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.226 4.864 -13.086 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.805 4.146 -11.596 1.00 0.00 H new ATOM 446 N THR A 30 -11.970 1.615 -11.941 1.00 0.00 N ATOM 447 CA THR A 30 -13.325 1.095 -11.814 1.00 0.00 C ATOM 448 C THR A 30 -14.208 2.049 -11.018 1.00 0.00 C ATOM 449 O THR A 30 -13.726 3.033 -10.456 1.00 0.00 O ATOM 450 CB THR A 30 -13.336 -0.286 -11.133 1.00 0.00 C ATOM 451 OG1 THR A 30 -12.404 -0.303 -10.046 1.00 0.00 O ATOM 452 CG2 THR A 30 -12.984 -1.383 -12.126 1.00 0.00 C ATOM 0 H THR A 30 -11.385 1.471 -11.118 1.00 0.00 H new ATOM 0 HA THR A 30 -13.721 0.996 -12.825 1.00 0.00 H new ATOM 0 HB THR A 30 -14.341 -0.471 -10.753 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.299 -1.221 -9.719 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.998 -2.349 -11.621 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.712 -1.387 -12.937 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.989 -1.201 -12.532 1.00 0.00 H new ATOM 460 N ILE A 31 -15.503 1.752 -10.973 1.00 0.00 N ATOM 461 CA ILE A 31 -16.452 2.584 -10.244 1.00 0.00 C ATOM 462 C ILE A 31 -15.992 2.812 -8.808 1.00 0.00 C ATOM 463 O ILE A 31 -16.123 3.911 -8.271 1.00 0.00 O ATOM 464 CB ILE A 31 -17.856 1.952 -10.227 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.385 1.794 -11.654 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.808 2.799 -9.395 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.456 3.097 -12.420 1.00 0.00 C ATOM 0 H ILE A 31 -15.918 0.942 -11.433 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.499 3.541 -10.764 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.788 0.964 -9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.744 1.098 -12.195 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.379 1.349 -11.617 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.796 2.339 -9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.436 2.866 -8.372 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.874 3.799 -9.823 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.840 2.909 -13.423 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.120 3.788 -11.901 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.460 3.534 -12.489 1.00 0.00 H new ATOM 479 N GLU A 32 -15.452 1.765 -8.192 1.00 0.00 N ATOM 480 CA GLU A 32 -14.971 1.852 -6.818 1.00 0.00 C ATOM 481 C GLU A 32 -13.922 2.951 -6.677 1.00 0.00 C ATOM 482 O GLU A 32 -13.824 3.601 -5.637 1.00 0.00 O ATOM 483 CB GLU A 32 -14.385 0.511 -6.373 1.00 0.00 C ATOM 484 CG GLU A 32 -13.320 -0.029 -7.313 1.00 0.00 C ATOM 485 CD GLU A 32 -12.539 -1.181 -6.709 1.00 0.00 C ATOM 486 OE1 GLU A 32 -12.798 -1.524 -5.537 1.00 0.00 O ATOM 487 OE2 GLU A 32 -11.670 -1.739 -7.411 1.00 0.00 O ATOM 0 H GLU A 32 -15.337 0.847 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.819 2.099 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.956 0.624 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.190 -0.219 -6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.791 -0.360 -8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.631 0.774 -7.576 1.00 0.00 H new ATOM 494 N ASN A 33 -13.138 3.151 -7.732 1.00 0.00 N ATOM 495 CA ASN A 33 -12.095 4.170 -7.726 1.00 0.00 C ATOM 496 C ASN A 33 -12.699 5.568 -7.799 1.00 0.00 C ATOM 497 O ASN A 33 -12.302 6.468 -7.058 1.00 0.00 O ATOM 498 CB ASN A 33 -11.137 3.954 -8.900 1.00 0.00 C ATOM 499 CG ASN A 33 -9.784 3.435 -8.454 1.00 0.00 C ATOM 500 OD1 ASN A 33 -9.329 3.725 -7.348 1.00 0.00 O ATOM 501 ND2 ASN A 33 -9.134 2.662 -9.316 1.00 0.00 N ATOM 0 H ASN A 33 -13.205 2.621 -8.601 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.541 4.082 -6.791 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.580 3.248 -9.602 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.004 4.894 -9.435 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.219 2.283 -9.072 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.549 2.447 -10.222 1.00 0.00 H new ATOM 508 N VAL A 34 -13.664 5.745 -8.697 1.00 0.00 N ATOM 509 CA VAL A 34 -14.325 7.033 -8.866 1.00 0.00 C ATOM 510 C VAL A 34 -14.860 7.555 -7.537 1.00 0.00 C ATOM 511 O VAL A 34 -14.809 8.754 -7.262 1.00 0.00 O ATOM 512 CB VAL A 34 -15.487 6.940 -9.873 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.176 8.288 -10.019 1.00 0.00 C ATOM 514 CG2 VAL A 34 -14.985 6.439 -11.219 1.00 0.00 C ATOM 0 H VAL A 34 -14.005 5.012 -9.319 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.575 7.725 -9.250 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.218 6.225 -9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.994 8.203 -10.734 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.570 8.602 -9.052 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.458 9.027 -10.375 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.819 6.379 -11.919 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.234 7.128 -11.607 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.542 5.451 -11.097 1.00 0.00 H new ATOM 524 N LYS A 35 -15.372 6.646 -6.713 1.00 0.00 N ATOM 525 CA LYS A 35 -15.915 7.012 -5.411 1.00 0.00 C ATOM 526 C LYS A 35 -14.797 7.366 -4.435 1.00 0.00 C ATOM 527 O LYS A 35 -14.995 8.151 -3.508 1.00 0.00 O ATOM 528 CB LYS A 35 -16.756 5.866 -4.845 1.00 0.00 C ATOM 529 CG LYS A 35 -18.161 5.801 -5.420 1.00 0.00 C ATOM 530 CD LYS A 35 -18.281 4.718 -6.479 1.00 0.00 C ATOM 531 CE LYS A 35 -19.612 3.989 -6.382 1.00 0.00 C ATOM 532 NZ LYS A 35 -19.460 2.633 -5.786 1.00 0.00 N ATOM 0 H LYS A 35 -15.422 5.650 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.549 7.889 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -16.248 4.922 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.820 5.974 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.874 5.608 -4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.422 6.766 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.180 5.163 -7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.465 4.004 -6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.304 4.576 -5.778 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -20.051 3.902 -7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.389 2.169 -5.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.820 2.064 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.065 2.717 -4.828 1.00 0.00 H new ATOM 546 N ALA A 36 -13.623 6.783 -4.651 1.00 0.00 N ATOM 547 CA ALA A 36 -12.473 7.040 -3.793 1.00 0.00 C ATOM 548 C ALA A 36 -12.175 8.533 -3.706 1.00 0.00 C ATOM 549 O ALA A 36 -11.853 9.051 -2.637 1.00 0.00 O ATOM 550 CB ALA A 36 -11.254 6.285 -4.304 1.00 0.00 C ATOM 0 H ALA A 36 -13.443 6.129 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.713 6.685 -2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.403 6.486 -3.654 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.463 5.215 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.022 6.612 -5.317 1.00 0.00 H new ATOM 556 N LYS A 37 -12.284 9.220 -4.838 1.00 0.00 N ATOM 557 CA LYS A 37 -12.027 10.654 -4.891 1.00 0.00 C ATOM 558 C LYS A 37 -13.192 11.437 -4.292 1.00 0.00 C ATOM 559 O LYS A 37 -13.004 12.524 -3.745 1.00 0.00 O ATOM 560 CB LYS A 37 -11.790 11.098 -6.336 1.00 0.00 C ATOM 561 CG LYS A 37 -10.509 10.548 -6.938 1.00 0.00 C ATOM 562 CD LYS A 37 -10.747 9.222 -7.641 1.00 0.00 C ATOM 563 CE LYS A 37 -9.481 8.709 -8.309 1.00 0.00 C ATOM 564 NZ LYS A 37 -8.659 7.884 -7.380 1.00 0.00 N ATOM 0 H LYS A 37 -12.549 8.806 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.132 10.860 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.635 10.781 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.761 12.187 -6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.101 11.268 -7.647 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.764 10.416 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.103 8.486 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.531 9.341 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.747 8.115 -9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.890 9.553 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.805 7.553 -7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.384 8.458 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.214 7.064 -7.060 1.00 0.00 H new ATOM 578 N ILE A 38 -14.392 10.878 -4.399 1.00 0.00 N ATOM 579 CA ILE A 38 -15.585 11.524 -3.866 1.00 0.00 C ATOM 580 C ILE A 38 -15.508 11.653 -2.348 1.00 0.00 C ATOM 581 O ILE A 38 -16.053 12.592 -1.768 1.00 0.00 O ATOM 582 CB ILE A 38 -16.861 10.746 -4.239 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.033 10.706 -5.759 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.078 11.376 -3.579 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.286 12.064 -6.374 1.00 0.00 C ATOM 0 H ILE A 38 -14.564 9.979 -4.850 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.632 12.518 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.765 9.723 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.138 10.274 -6.207 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.863 10.044 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -18.972 10.815 -3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -17.955 11.358 -2.496 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.181 12.408 -3.915 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.398 11.960 -7.453 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.197 12.489 -5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.445 12.723 -6.159 1.00 0.00 H new ATOM 597 N GLN A 39 -14.826 10.706 -1.713 1.00 0.00 N ATOM 598 CA GLN A 39 -14.677 10.716 -0.262 1.00 0.00 C ATOM 599 C GLN A 39 -14.110 12.048 0.218 1.00 0.00 C ATOM 600 O GLN A 39 -14.478 12.542 1.284 1.00 0.00 O ATOM 601 CB GLN A 39 -13.767 9.570 0.185 1.00 0.00 C ATOM 602 CG GLN A 39 -14.494 8.246 0.352 1.00 0.00 C ATOM 603 CD GLN A 39 -13.567 7.119 0.764 1.00 0.00 C ATOM 604 OE1 GLN A 39 -13.134 7.045 1.914 1.00 0.00 O ATOM 605 NE2 GLN A 39 -13.258 6.233 -0.176 1.00 0.00 N ATOM 0 H GLN A 39 -14.368 9.923 -2.179 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.664 10.582 0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.967 9.446 -0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.296 9.838 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.278 8.358 1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.984 7.984 -0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.640 6.333 -1.117 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.639 5.452 0.043 1.00 0.00 H new ATOM 614 N ASP A 40 -13.214 12.624 -0.575 1.00 0.00 N ATOM 615 CA ASP A 40 -12.597 13.900 -0.231 1.00 0.00 C ATOM 616 C ASP A 40 -13.550 15.058 -0.512 1.00 0.00 C ATOM 617 O ASP A 40 -13.424 16.135 0.071 1.00 0.00 O ATOM 618 CB ASP A 40 -11.298 14.091 -1.016 1.00 0.00 C ATOM 619 CG ASP A 40 -10.421 15.179 -0.429 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.232 15.188 0.805 1.00 0.00 O ATOM 621 OD2 ASP A 40 -9.924 16.022 -1.205 1.00 0.00 O ATOM 0 H ASP A 40 -12.898 12.228 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.370 13.890 0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.745 13.152 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.535 14.339 -2.051 1.00 0.00 H new ATOM 626 N LYS A 41 -14.503 14.829 -1.409 1.00 0.00 N ATOM 627 CA LYS A 41 -15.478 15.851 -1.767 1.00 0.00 C ATOM 628 C LYS A 41 -16.600 15.919 -0.736 1.00 0.00 C ATOM 629 O LYS A 41 -16.925 16.993 -0.230 1.00 0.00 O ATOM 630 CB LYS A 41 -16.062 15.565 -3.153 1.00 0.00 C ATOM 631 CG LYS A 41 -15.021 15.149 -4.178 1.00 0.00 C ATOM 632 CD LYS A 41 -14.044 16.277 -4.469 1.00 0.00 C ATOM 633 CE LYS A 41 -12.804 16.180 -3.593 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.727 17.100 -4.053 1.00 0.00 N ATOM 0 H LYS A 41 -14.621 13.944 -1.902 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.967 16.814 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.810 14.777 -3.067 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.577 16.456 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.476 14.279 -3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.517 14.849 -5.101 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.753 16.246 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.534 17.236 -4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.068 16.417 -2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.434 15.155 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.899 17.004 -3.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.457 16.858 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.072 18.081 -4.022 1.00 0.00 H new ATOM 648 N GLU A 42 -17.186 14.766 -0.428 1.00 0.00 N ATOM 649 CA GLU A 42 -18.270 14.697 0.544 1.00 0.00 C ATOM 650 C GLU A 42 -17.919 13.745 1.684 1.00 0.00 C ATOM 651 O GLU A 42 -18.287 13.975 2.835 1.00 0.00 O ATOM 652 CB GLU A 42 -19.564 14.242 -0.134 1.00 0.00 C ATOM 653 CG GLU A 42 -20.075 15.214 -1.185 1.00 0.00 C ATOM 654 CD GLU A 42 -20.324 16.601 -0.625 1.00 0.00 C ATOM 655 OE1 GLU A 42 -20.611 16.708 0.586 1.00 0.00 O ATOM 656 OE2 GLU A 42 -20.232 17.578 -1.397 1.00 0.00 O ATOM 0 H GLU A 42 -16.928 13.868 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.416 15.695 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.398 13.271 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.333 14.104 0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.351 15.279 -1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.000 14.827 -1.613 1.00 0.00 H new ATOM 663 N GLY A 43 -17.204 12.673 1.353 1.00 0.00 N ATOM 664 CA GLY A 43 -16.816 11.702 2.359 1.00 0.00 C ATOM 665 C GLY A 43 -17.970 10.817 2.787 1.00 0.00 C ATOM 666 O GLY A 43 -18.356 10.813 3.957 1.00 0.00 O ATOM 0 H GLY A 43 -16.887 12.460 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.011 11.080 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.420 12.224 3.230 1.00 0.00 H new ATOM 670 N ILE A 44 -18.523 10.068 1.840 1.00 0.00 N ATOM 671 CA ILE A 44 -19.640 9.176 2.126 1.00 0.00 C ATOM 672 C ILE A 44 -19.328 7.748 1.693 1.00 0.00 C ATOM 673 O ILE A 44 -18.553 7.509 0.766 1.00 0.00 O ATOM 674 CB ILE A 44 -20.928 9.644 1.423 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.646 9.960 -0.047 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.505 10.861 2.131 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.867 10.427 -0.809 1.00 0.00 C ATOM 0 H ILE A 44 -18.216 10.061 0.867 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.795 9.200 3.205 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.662 8.840 1.468 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.876 10.729 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.244 9.070 -0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.415 11.180 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.738 10.604 3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.776 11.671 2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.593 10.633 -1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.631 9.650 -0.783 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.257 11.335 -0.349 1.00 0.00 H new ATOM 689 N PRO A 45 -19.946 6.774 2.377 1.00 0.00 N ATOM 690 CA PRO A 45 -19.752 5.352 2.080 1.00 0.00 C ATOM 691 C PRO A 45 -20.377 4.947 0.748 1.00 0.00 C ATOM 692 O PRO A 45 -21.158 5.688 0.152 1.00 0.00 O ATOM 693 CB PRO A 45 -20.461 4.647 3.239 1.00 0.00 C ATOM 694 CG PRO A 45 -21.483 5.624 3.708 1.00 0.00 C ATOM 695 CD PRO A 45 -20.882 6.986 3.493 1.00 0.00 C ATOM 0 HA PRO A 45 -18.697 5.095 1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.924 3.716 2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.761 4.393 4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.413 5.515 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.722 5.464 4.759 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.643 7.726 3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.369 7.344 4.385 1.00 0.00 H new ATOM 703 N PRO A 46 -20.026 3.744 0.270 1.00 0.00 N ATOM 704 CA PRO A 46 -20.542 3.214 -0.995 1.00 0.00 C ATOM 705 C PRO A 46 -22.023 2.859 -0.914 1.00 0.00 C ATOM 706 O PRO A 46 -22.726 2.857 -1.924 1.00 0.00 O ATOM 707 CB PRO A 46 -19.702 1.955 -1.221 1.00 0.00 C ATOM 708 CG PRO A 46 -19.269 1.538 0.142 1.00 0.00 C ATOM 709 CD PRO A 46 -19.099 2.809 0.929 1.00 0.00 C ATOM 0 HA PRO A 46 -20.468 3.943 -1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -20.284 1.173 -1.708 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.845 2.161 -1.863 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -20.011 0.888 0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.335 0.977 0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.350 2.668 1.980 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.071 3.170 0.893 1.00 0.00 H new ATOM 717 N ASP A 47 -22.489 2.560 0.293 1.00 0.00 N ATOM 718 CA ASP A 47 -23.887 2.205 0.506 1.00 0.00 C ATOM 719 C ASP A 47 -24.785 3.432 0.382 1.00 0.00 C ATOM 720 O ASP A 47 -25.943 3.326 -0.020 1.00 0.00 O ATOM 721 CB ASP A 47 -24.069 1.562 1.882 1.00 0.00 C ATOM 722 CG ASP A 47 -23.527 0.147 1.936 1.00 0.00 C ATOM 723 OD1 ASP A 47 -22.288 -0.015 1.922 1.00 0.00 O ATOM 724 OD2 ASP A 47 -24.341 -0.798 1.994 1.00 0.00 O ATOM 0 H ASP A 47 -21.919 2.556 1.139 1.00 0.00 H new ATOM 0 HA ASP A 47 -24.174 1.488 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.565 2.170 2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -25.128 1.552 2.138 1.00 0.00 H new ATOM 729 N GLN A 48 -24.242 4.594 0.730 1.00 0.00 N ATOM 730 CA GLN A 48 -24.995 5.840 0.659 1.00 0.00 C ATOM 731 C GLN A 48 -24.548 6.679 -0.534 1.00 0.00 C ATOM 732 O GLN A 48 -25.049 7.781 -0.751 1.00 0.00 O ATOM 733 CB GLN A 48 -24.822 6.639 1.952 1.00 0.00 C ATOM 734 CG GLN A 48 -25.628 6.090 3.119 1.00 0.00 C ATOM 735 CD GLN A 48 -24.866 5.051 3.916 1.00 0.00 C ATOM 736 OE1 GLN A 48 -24.834 3.874 3.554 1.00 0.00 O ATOM 737 NE2 GLN A 48 -24.246 5.480 5.009 1.00 0.00 N ATOM 0 H GLN A 48 -23.284 4.698 1.064 1.00 0.00 H new ATOM 0 HA GLN A 48 -26.049 5.592 0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.766 6.651 2.224 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.116 7.673 1.772 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.912 6.911 3.777 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -26.551 5.649 2.743 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.299 6.464 5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -23.717 4.826 5.585 1.00 0.00 H new ATOM 746 N GLN A 49 -23.603 6.148 -1.303 1.00 0.00 N ATOM 747 CA GLN A 49 -23.088 6.849 -2.473 1.00 0.00 C ATOM 748 C GLN A 49 -23.244 5.998 -3.729 1.00 0.00 C ATOM 749 O GLN A 49 -22.756 4.870 -3.791 1.00 0.00 O ATOM 750 CB GLN A 49 -21.617 7.214 -2.270 1.00 0.00 C ATOM 751 CG GLN A 49 -21.148 8.364 -3.146 1.00 0.00 C ATOM 752 CD GLN A 49 -20.559 7.893 -4.461 1.00 0.00 C ATOM 753 OE1 GLN A 49 -20.838 6.785 -4.918 1.00 0.00 O ATOM 754 NE2 GLN A 49 -19.737 8.736 -5.077 1.00 0.00 N ATOM 0 H GLN A 49 -23.179 5.235 -1.137 1.00 0.00 H new ATOM 0 HA GLN A 49 -23.667 7.764 -2.601 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -21.458 7.477 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -21.002 6.338 -2.476 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -21.988 9.029 -3.346 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -20.402 8.946 -2.606 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.534 9.645 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.309 8.474 -5.965 1.00 0.00 H new ATOM 763 N ARG A 50 -23.927 6.547 -4.729 1.00 0.00 N ATOM 764 CA ARG A 50 -24.149 5.837 -5.983 1.00 0.00 C ATOM 765 C ARG A 50 -24.026 6.785 -7.173 1.00 0.00 C ATOM 766 O ARG A 50 -24.568 7.891 -7.158 1.00 0.00 O ATOM 767 CB ARG A 50 -25.529 5.178 -5.983 1.00 0.00 C ATOM 768 CG ARG A 50 -25.498 3.699 -5.636 1.00 0.00 C ATOM 769 CD ARG A 50 -24.822 2.884 -6.729 1.00 0.00 C ATOM 770 NE ARG A 50 -24.439 1.555 -6.262 1.00 0.00 N ATOM 771 CZ ARG A 50 -25.308 0.574 -6.044 1.00 0.00 C ATOM 772 NH1 ARG A 50 -26.602 0.773 -6.248 1.00 0.00 N ATOM 773 NH2 ARG A 50 -24.882 -0.609 -5.620 1.00 0.00 N ATOM 0 H ARG A 50 -24.336 7.481 -4.695 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.385 5.065 -6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.170 5.696 -5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -25.982 5.302 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -24.969 3.556 -4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -26.516 3.338 -5.488 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -25.496 2.789 -7.580 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -23.937 3.414 -7.081 1.00 0.00 H new ATOM 0 HE ARG A 50 -23.450 1.369 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -26.933 1.681 -6.573 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -27.267 0.018 -6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -23.887 -0.766 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.550 -1.362 -5.453 1.00 0.00 H new ATOM 787 N LEU A 51 -23.309 6.344 -8.201 1.00 0.00 N ATOM 788 CA LEU A 51 -23.113 7.153 -9.399 1.00 0.00 C ATOM 789 C LEU A 51 -24.144 6.801 -10.467 1.00 0.00 C ATOM 790 O LEU A 51 -24.464 5.630 -10.673 1.00 0.00 O ATOM 791 CB LEU A 51 -21.701 6.950 -9.951 1.00 0.00 C ATOM 792 CG LEU A 51 -20.579 7.675 -9.206 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.865 9.167 -9.132 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.404 7.094 -7.810 1.00 0.00 C ATOM 0 H LEU A 51 -22.854 5.431 -8.229 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.242 8.200 -9.126 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.481 5.882 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.689 7.275 -10.991 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.650 7.531 -9.757 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.056 9.666 -8.599 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.940 9.574 -10.141 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.804 9.332 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.602 7.622 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.332 7.208 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.153 6.036 -7.885 1.00 0.00 H new ATOM 806 N ILE A 52 -24.658 7.822 -11.145 1.00 0.00 N ATOM 807 CA ILE A 52 -25.649 7.620 -12.195 1.00 0.00 C ATOM 808 C ILE A 52 -25.134 8.116 -13.541 1.00 0.00 C ATOM 809 O ILE A 52 -24.527 9.184 -13.630 1.00 0.00 O ATOM 810 CB ILE A 52 -26.971 8.339 -11.866 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.390 8.049 -10.424 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.062 7.911 -12.837 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.539 6.574 -10.122 1.00 0.00 C ATOM 0 H ILE A 52 -24.405 8.797 -10.986 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.833 6.547 -12.253 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.819 9.413 -11.971 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.651 8.477 -9.747 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.336 8.550 -10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -28.990 8.427 -12.592 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.764 8.164 -13.854 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.215 6.834 -12.761 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.838 6.444 -9.082 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.299 6.144 -10.774 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.588 6.070 -10.292 1.00 0.00 H new ATOM 825 N PHE A 53 -25.381 7.335 -14.588 1.00 0.00 N ATOM 826 CA PHE A 53 -24.942 7.696 -15.931 1.00 0.00 C ATOM 827 C PHE A 53 -25.995 7.314 -16.967 1.00 0.00 C ATOM 828 O PHE A 53 -26.321 6.139 -17.134 1.00 0.00 O ATOM 829 CB PHE A 53 -23.615 7.009 -16.259 1.00 0.00 C ATOM 830 CG PHE A 53 -22.971 7.518 -17.516 1.00 0.00 C ATOM 831 CD1 PHE A 53 -23.268 6.947 -18.743 1.00 0.00 C ATOM 832 CD2 PHE A 53 -22.068 8.568 -17.471 1.00 0.00 C ATOM 833 CE1 PHE A 53 -22.677 7.414 -19.902 1.00 0.00 C ATOM 834 CE2 PHE A 53 -21.475 9.040 -18.627 1.00 0.00 C ATOM 835 CZ PHE A 53 -21.778 8.461 -19.844 1.00 0.00 C ATOM 0 H PHE A 53 -25.883 6.449 -14.532 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.801 8.776 -15.962 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -22.927 7.149 -15.425 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -23.784 5.937 -16.356 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -23.969 6.127 -18.794 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -21.825 9.023 -16.522 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -22.918 6.961 -20.852 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -20.775 9.861 -18.579 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.313 8.826 -20.748 1.00 0.00 H new ATOM 845 N ALA A 54 -26.525 8.317 -17.661 1.00 0.00 N ATOM 846 CA ALA A 54 -27.539 8.087 -18.682 1.00 0.00 C ATOM 847 C ALA A 54 -28.774 7.417 -18.088 1.00 0.00 C ATOM 848 O ALA A 54 -29.393 6.562 -18.720 1.00 0.00 O ATOM 849 CB ALA A 54 -26.970 7.242 -19.812 1.00 0.00 C ATOM 0 H ALA A 54 -26.268 9.296 -17.534 1.00 0.00 H new ATOM 0 HA ALA A 54 -27.840 9.055 -19.084 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -27.739 7.079 -20.567 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.123 7.760 -20.263 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.639 6.281 -19.417 1.00 0.00 H new ATOM 855 N GLY A 55 -29.126 7.811 -16.868 1.00 0.00 N ATOM 856 CA GLY A 55 -30.285 7.237 -16.209 1.00 0.00 C ATOM 857 C GLY A 55 -30.057 5.801 -15.782 1.00 0.00 C ATOM 858 O GLY A 55 -31.009 5.051 -15.564 1.00 0.00 O ATOM 0 H GLY A 55 -28.630 8.517 -16.324 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.536 7.837 -15.335 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.141 7.281 -16.882 1.00 0.00 H new ATOM 862 N LYS A 56 -28.791 5.414 -15.665 1.00 0.00 N ATOM 863 CA LYS A 56 -28.440 4.058 -15.262 1.00 0.00 C ATOM 864 C LYS A 56 -27.429 4.074 -14.120 1.00 0.00 C ATOM 865 O LYS A 56 -26.372 4.696 -14.224 1.00 0.00 O ATOM 866 CB LYS A 56 -27.869 3.282 -16.451 1.00 0.00 C ATOM 867 CG LYS A 56 -27.610 1.815 -16.153 1.00 0.00 C ATOM 868 CD LYS A 56 -28.868 0.980 -16.326 1.00 0.00 C ATOM 869 CE LYS A 56 -28.805 -0.299 -15.507 1.00 0.00 C ATOM 870 NZ LYS A 56 -29.300 -0.094 -14.117 1.00 0.00 N ATOM 0 H LYS A 56 -27.991 6.021 -15.844 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.347 3.563 -14.914 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.562 3.357 -17.289 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -26.936 3.750 -16.765 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -26.830 1.440 -16.816 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -27.240 1.710 -15.133 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -29.738 1.564 -16.025 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -29.000 0.733 -17.379 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -29.400 -1.071 -15.994 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -27.777 -0.660 -15.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -29.241 -0.990 -13.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -28.716 0.625 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -30.289 0.226 -14.144 1.00 0.00 H new ATOM 884 N GLN A 57 -27.760 3.386 -13.032 1.00 0.00 N ATOM 885 CA GLN A 57 -26.879 3.322 -11.872 1.00 0.00 C ATOM 886 C GLN A 57 -25.593 2.573 -12.205 1.00 0.00 C ATOM 887 O GLN A 57 -25.616 1.558 -12.902 1.00 0.00 O ATOM 888 CB GLN A 57 -27.591 2.641 -10.702 1.00 0.00 C ATOM 889 CG GLN A 57 -29.003 3.153 -10.467 1.00 0.00 C ATOM 890 CD GLN A 57 -29.630 2.583 -9.210 1.00 0.00 C ATOM 891 OE1 GLN A 57 -30.012 3.322 -8.302 1.00 0.00 O ATOM 892 NE2 GLN A 57 -29.739 1.261 -9.151 1.00 0.00 N ATOM 0 H GLN A 57 -28.631 2.865 -12.930 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.620 4.342 -11.587 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.629 1.567 -10.886 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -27.004 2.789 -9.795 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.984 4.241 -10.398 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -29.625 2.899 -11.326 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -29.409 0.687 -9.927 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -30.153 0.820 -8.330 1.00 0.00 H new ATOM 901 N LEU A 58 -24.472 3.081 -11.704 1.00 0.00 N ATOM 902 CA LEU A 58 -23.175 2.460 -11.948 1.00 0.00 C ATOM 903 C LEU A 58 -22.801 1.514 -10.812 1.00 0.00 C ATOM 904 O LEU A 58 -23.224 1.701 -9.672 1.00 0.00 O ATOM 905 CB LEU A 58 -22.097 3.533 -12.110 1.00 0.00 C ATOM 906 CG LEU A 58 -22.434 4.687 -13.055 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.246 5.626 -13.195 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.859 4.154 -14.416 1.00 0.00 C ATOM 0 H LEU A 58 -24.435 3.921 -11.127 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.244 1.881 -12.869 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.875 3.948 -11.127 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.186 3.053 -12.466 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.266 5.249 -12.631 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.504 6.441 -13.871 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.987 6.033 -12.218 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.394 5.077 -13.597 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -23.095 4.989 -15.076 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.047 3.569 -14.847 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.740 3.522 -14.301 1.00 0.00 H new ATOM 920 N GLU A 59 -22.004 0.499 -11.131 1.00 0.00 N ATOM 921 CA GLU A 59 -21.572 -0.475 -10.136 1.00 0.00 C ATOM 922 C GLU A 59 -20.170 -0.988 -10.450 1.00 0.00 C ATOM 923 O GLU A 59 -19.727 -0.955 -11.598 1.00 0.00 O ATOM 924 CB GLU A 59 -22.555 -1.646 -10.077 1.00 0.00 C ATOM 925 CG GLU A 59 -22.626 -2.447 -11.366 1.00 0.00 C ATOM 926 CD GLU A 59 -23.250 -3.815 -11.170 1.00 0.00 C ATOM 927 OE1 GLU A 59 -24.428 -3.877 -10.761 1.00 0.00 O ATOM 928 OE2 GLU A 59 -22.559 -4.823 -11.425 1.00 0.00 O ATOM 0 H GLU A 59 -21.645 0.330 -12.071 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.549 0.020 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.267 -2.310 -9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.548 -1.264 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.204 -1.891 -12.104 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.621 -2.565 -11.772 1.00 0.00 H new ATOM 935 N ASP A 60 -19.476 -1.462 -9.421 1.00 0.00 N ATOM 936 CA ASP A 60 -18.124 -1.984 -9.586 1.00 0.00 C ATOM 937 C ASP A 60 -18.087 -3.070 -10.657 1.00 0.00 C ATOM 938 O ASP A 60 -19.128 -3.536 -11.119 1.00 0.00 O ATOM 939 CB ASP A 60 -17.604 -2.540 -8.259 1.00 0.00 C ATOM 940 CG ASP A 60 -17.618 -1.505 -7.152 1.00 0.00 C ATOM 941 OD1 ASP A 60 -17.336 -0.323 -7.441 1.00 0.00 O ATOM 942 OD2 ASP A 60 -17.912 -1.877 -5.997 1.00 0.00 O ATOM 0 H ASP A 60 -19.827 -1.496 -8.464 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.481 -1.164 -9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -18.214 -3.393 -7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.587 -2.907 -8.396 1.00 0.00 H new ATOM 947 N GLY A 61 -16.880 -3.468 -11.048 1.00 0.00 N ATOM 948 CA GLY A 61 -16.730 -4.495 -12.062 1.00 0.00 C ATOM 949 C GLY A 61 -16.410 -3.919 -13.427 1.00 0.00 C ATOM 950 O GLY A 61 -15.836 -4.601 -14.277 1.00 0.00 O ATOM 0 H GLY A 61 -16.004 -3.097 -10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.937 -5.181 -11.765 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.649 -5.078 -12.123 1.00 0.00 H new ATOM 954 N ARG A 62 -16.783 -2.661 -13.639 1.00 0.00 N ATOM 955 CA ARG A 62 -16.535 -1.995 -14.912 1.00 0.00 C ATOM 956 C ARG A 62 -15.705 -0.730 -14.711 1.00 0.00 C ATOM 957 O ARG A 62 -15.520 -0.267 -13.585 1.00 0.00 O ATOM 958 CB ARG A 62 -17.858 -1.647 -15.596 1.00 0.00 C ATOM 959 CG ARG A 62 -18.439 -2.788 -16.415 1.00 0.00 C ATOM 960 CD ARG A 62 -19.681 -2.351 -17.175 1.00 0.00 C ATOM 961 NE ARG A 62 -20.157 -3.387 -18.088 1.00 0.00 N ATOM 962 CZ ARG A 62 -21.307 -3.314 -18.748 1.00 0.00 C ATOM 963 NH1 ARG A 62 -22.096 -2.259 -18.597 1.00 0.00 N ATOM 964 NH2 ARG A 62 -21.671 -4.298 -19.561 1.00 0.00 N ATOM 0 H ARG A 62 -17.258 -2.083 -12.946 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.974 -2.679 -15.549 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.582 -1.350 -14.837 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.706 -0.785 -16.246 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.690 -3.151 -17.118 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.688 -3.620 -15.757 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -20.471 -2.102 -16.466 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.461 -1.444 -17.739 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.574 -4.212 -18.226 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -21.820 -1.501 -17.973 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -22.979 -2.205 -19.105 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -21.067 -5.111 -19.679 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -22.555 -4.241 -20.067 1.00 0.00 H new ATOM 978 N THR A 63 -15.206 -0.175 -15.811 1.00 0.00 N ATOM 979 CA THR A 63 -14.395 1.035 -15.756 1.00 0.00 C ATOM 980 C THR A 63 -15.127 2.216 -16.382 1.00 0.00 C ATOM 981 O THR A 63 -16.055 2.037 -17.173 1.00 0.00 O ATOM 982 CB THR A 63 -13.047 0.841 -16.477 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.377 2.099 -16.610 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.252 0.221 -17.851 1.00 0.00 C ATOM 0 H THR A 63 -15.349 -0.544 -16.751 1.00 0.00 H new ATOM 0 HA THR A 63 -14.209 1.243 -14.702 1.00 0.00 H new ATOM 0 HB THR A 63 -12.435 0.166 -15.880 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.031 2.380 -15.737 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.286 0.094 -18.341 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.735 -0.750 -17.744 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.882 0.875 -18.455 1.00 0.00 H new ATOM 992 N LEU A 64 -14.705 3.424 -16.025 1.00 0.00 N ATOM 993 CA LEU A 64 -15.320 4.637 -16.552 1.00 0.00 C ATOM 994 C LEU A 64 -15.363 4.607 -18.077 1.00 0.00 C ATOM 995 O LEU A 64 -16.357 5.001 -18.687 1.00 0.00 O ATOM 996 CB LEU A 64 -14.552 5.871 -16.077 1.00 0.00 C ATOM 997 CG LEU A 64 -14.591 6.148 -14.574 1.00 0.00 C ATOM 998 CD1 LEU A 64 -13.231 6.617 -14.081 1.00 0.00 C ATOM 999 CD2 LEU A 64 -15.662 7.180 -14.250 1.00 0.00 C ATOM 0 H LEU A 64 -13.939 3.590 -15.372 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.343 4.688 -16.178 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.510 5.765 -16.380 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.948 6.743 -16.597 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.840 5.220 -14.060 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.279 6.809 -13.009 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.487 5.846 -14.279 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.951 7.533 -14.602 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.676 7.365 -13.176 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.443 8.109 -14.776 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -16.636 6.806 -14.566 1.00 0.00 H new ATOM 1011 N SER A 65 -14.280 4.134 -18.685 1.00 0.00 N ATOM 1012 CA SER A 65 -14.193 4.054 -20.139 1.00 0.00 C ATOM 1013 C SER A 65 -15.282 3.143 -20.698 1.00 0.00 C ATOM 1014 O SER A 65 -15.779 3.359 -21.803 1.00 0.00 O ATOM 1015 CB SER A 65 -12.816 3.541 -20.561 1.00 0.00 C ATOM 1016 OG SER A 65 -12.843 3.035 -21.884 1.00 0.00 O ATOM 0 H SER A 65 -13.451 3.800 -18.194 1.00 0.00 H new ATOM 0 HA SER A 65 -14.338 5.056 -20.543 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.087 4.348 -20.492 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.490 2.758 -19.876 1.00 0.00 H new ATOM 0 HG SER A 65 -11.950 2.715 -22.130 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.646 2.123 -19.927 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.674 1.178 -20.346 1.00 0.00 C ATOM 1024 C GLU A 66 -18.062 1.804 -20.241 1.00 0.00 C ATOM 1025 O GLU A 66 -18.996 1.387 -20.928 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.609 -0.091 -19.494 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.666 -1.147 -20.046 1.00 0.00 C ATOM 1028 CD GLU A 66 -16.136 -1.714 -21.372 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -17.197 -1.272 -21.862 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -15.445 -2.599 -21.918 1.00 0.00 O ATOM 0 H GLU A 66 -15.244 1.930 -19.009 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.489 0.917 -21.388 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.293 0.175 -18.485 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.610 -0.516 -19.413 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.674 -0.713 -20.172 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.570 -1.957 -19.323 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.190 2.804 -19.377 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.464 3.485 -19.179 1.00 0.00 C ATOM 1039 C TYR A 67 -19.594 4.681 -20.118 1.00 0.00 C ATOM 1040 O TYR A 67 -20.486 5.514 -19.960 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.601 3.945 -17.727 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.831 2.813 -16.752 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.067 2.185 -16.665 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -18.812 2.371 -15.917 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.283 1.151 -15.776 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.018 1.336 -15.025 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.254 0.729 -14.958 1.00 0.00 C ATOM 1048 OH TYR A 67 -20.464 -0.301 -14.070 1.00 0.00 O ATOM 0 H TYR A 67 -17.427 3.161 -18.802 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.263 2.779 -19.406 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.698 4.484 -17.439 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.430 4.650 -17.655 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.874 2.512 -17.304 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.843 2.844 -15.966 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.251 0.675 -15.721 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.215 1.004 -14.384 1.00 0.00 H new ATOM 0 HH TYR A 67 -19.964 -0.129 -13.245 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.697 4.758 -21.096 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.710 5.851 -22.061 1.00 0.00 C ATOM 1060 C ASN A 68 -18.524 7.195 -21.363 1.00 0.00 C ATOM 1061 O ASN A 68 -18.859 8.243 -21.915 1.00 0.00 O ATOM 1062 CB ASN A 68 -20.023 5.849 -22.847 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.397 4.466 -23.344 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -21.203 3.770 -22.726 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -19.812 4.062 -24.465 1.00 0.00 N ATOM 0 H ASN A 68 -17.952 4.076 -21.241 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.880 5.703 -22.752 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.823 6.233 -22.214 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -19.936 6.526 -23.697 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.024 3.141 -24.848 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.150 4.673 -24.944 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.988 7.155 -20.148 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.756 8.369 -19.376 1.00 0.00 C ATOM 1074 C ILE A 69 -16.572 9.155 -19.930 1.00 0.00 C ATOM 1075 O ILE A 69 -15.420 8.757 -19.765 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.498 8.052 -17.891 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.692 7.307 -17.291 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.221 9.331 -17.116 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.444 6.797 -15.889 1.00 0.00 C ATOM 0 H ILE A 69 -17.706 6.295 -19.677 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.660 8.972 -19.458 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.620 7.410 -17.819 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.556 7.972 -17.280 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -18.946 6.465 -17.935 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.041 9.090 -16.068 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.342 9.825 -17.531 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.081 9.996 -17.192 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.333 6.280 -15.528 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -17.600 6.107 -15.897 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.220 7.636 -15.231 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.866 10.273 -20.585 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.825 11.116 -21.162 1.00 0.00 C ATOM 1093 C GLN A 70 -15.336 12.147 -20.150 1.00 0.00 C ATOM 1094 O GLN A 70 -15.669 12.078 -18.967 1.00 0.00 O ATOM 1095 CB GLN A 70 -16.347 11.821 -22.415 1.00 0.00 C ATOM 1096 CG GLN A 70 -17.075 10.894 -23.376 1.00 0.00 C ATOM 1097 CD GLN A 70 -17.435 11.574 -24.682 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -17.912 12.710 -24.693 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -17.209 10.882 -25.792 1.00 0.00 N ATOM 0 H GLN A 70 -17.816 10.616 -20.730 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.986 10.477 -21.436 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.022 12.623 -22.116 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.510 12.286 -22.936 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.448 10.027 -23.583 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.984 10.525 -22.900 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.812 9.944 -25.736 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.432 11.288 -26.701 1.00 0.00 H new ATOM 1108 N LYS A 71 -14.544 13.103 -20.623 1.00 0.00 N ATOM 1109 CA LYS A 71 -14.009 14.150 -19.761 1.00 0.00 C ATOM 1110 C LYS A 71 -15.083 15.181 -19.426 1.00 0.00 C ATOM 1111 O LYS A 71 -14.995 15.874 -18.414 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.820 14.838 -20.437 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.691 16.310 -20.089 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.453 16.926 -20.719 1.00 0.00 C ATOM 1115 CE LYS A 71 -11.582 18.436 -20.842 1.00 0.00 C ATOM 1116 NZ LYS A 71 -12.589 18.825 -21.869 1.00 0.00 N ATOM 0 H LYS A 71 -14.258 13.174 -21.600 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.674 13.686 -18.833 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.903 14.324 -20.151 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.918 14.736 -21.518 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.578 16.844 -20.430 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.645 16.426 -19.006 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.578 16.683 -20.117 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.292 16.492 -21.706 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.866 18.856 -19.877 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.614 18.863 -21.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.418 19.806 -22.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.508 18.193 -22.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.544 18.747 -21.465 1.00 0.00 H new ATOM 1130 N GLU A 72 -16.095 15.274 -20.283 1.00 0.00 N ATOM 1131 CA GLU A 72 -17.185 16.220 -20.076 1.00 0.00 C ATOM 1132 C GLU A 72 -18.477 15.491 -19.716 1.00 0.00 C ATOM 1133 O GLU A 72 -19.573 16.013 -19.917 1.00 0.00 O ATOM 1134 CB GLU A 72 -17.399 17.069 -21.331 1.00 0.00 C ATOM 1135 CG GLU A 72 -16.193 17.913 -21.707 1.00 0.00 C ATOM 1136 CD GLU A 72 -16.556 19.084 -22.600 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -16.642 18.886 -23.830 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -16.754 20.196 -22.070 1.00 0.00 O ATOM 0 H GLU A 72 -16.183 14.707 -21.126 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.913 16.873 -19.247 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.647 16.413 -22.165 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.256 17.724 -21.175 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.718 18.286 -20.800 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.460 17.287 -22.216 1.00 0.00 H new ATOM 1145 N SER A 73 -18.338 14.281 -19.183 1.00 0.00 N ATOM 1146 CA SER A 73 -19.492 13.478 -18.799 1.00 0.00 C ATOM 1147 C SER A 73 -20.169 14.057 -17.560 1.00 0.00 C ATOM 1148 O SER A 73 -19.519 14.667 -16.710 1.00 0.00 O ATOM 1149 CB SER A 73 -19.069 12.032 -18.533 1.00 0.00 C ATOM 1150 OG SER A 73 -19.280 11.221 -19.675 1.00 0.00 O ATOM 0 H SER A 73 -17.437 13.836 -19.008 1.00 0.00 H new ATOM 0 HA SER A 73 -20.205 13.495 -19.623 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.016 12.004 -18.252 1.00 0.00 H new ATOM 0 HB3 SER A 73 -19.634 11.633 -17.691 1.00 0.00 H new ATOM 0 HG SER A 73 -20.193 11.354 -20.006 1.00 0.00 H new ATOM 1156 N THR A 74 -21.481 13.863 -17.465 1.00 0.00 N ATOM 1157 CA THR A 74 -22.248 14.366 -16.332 1.00 0.00 C ATOM 1158 C THR A 74 -22.584 13.246 -15.354 1.00 0.00 C ATOM 1159 O THR A 74 -23.349 12.336 -15.676 1.00 0.00 O ATOM 1160 CB THR A 74 -23.555 15.039 -16.793 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.421 15.495 -18.144 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.908 16.211 -15.889 1.00 0.00 C ATOM 0 H THR A 74 -22.034 13.361 -18.159 1.00 0.00 H new ATOM 0 HA THR A 74 -21.624 15.106 -15.831 1.00 0.00 H new ATOM 0 HB THR A 74 -24.357 14.303 -16.737 1.00 0.00 H new ATOM 0 HG1 THR A 74 -24.256 15.920 -18.430 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.834 16.670 -16.234 1.00 0.00 H new ATOM 0 HG22 THR A 74 -24.038 15.856 -14.867 1.00 0.00 H new ATOM 0 HG23 THR A 74 -23.105 16.948 -15.918 1.00 0.00 H new ATOM 1170 N LEU A 75 -22.008 13.318 -14.159 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.248 12.310 -13.133 1.00 0.00 C ATOM 1172 C LEU A 75 -23.185 12.842 -12.054 1.00 0.00 C ATOM 1173 O LEU A 75 -23.223 14.044 -11.788 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.924 11.870 -12.503 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.313 10.583 -13.056 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.238 9.402 -12.807 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -20.019 10.727 -14.542 1.00 0.00 C ATOM 0 H LEU A 75 -21.372 14.064 -13.877 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.722 11.451 -13.607 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.200 12.675 -12.628 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.079 11.744 -11.431 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.373 10.398 -12.536 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.786 8.495 -13.208 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.398 9.285 -11.735 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.194 9.579 -13.299 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.584 9.801 -14.918 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.945 10.937 -15.077 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.317 11.546 -14.696 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.939 11.940 -11.434 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.875 12.319 -10.381 1.00 0.00 C ATOM 1191 C HIS A 76 -24.763 11.374 -9.189 1.00 0.00 C ATOM 1192 O HIS A 76 -24.792 10.152 -9.347 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.307 12.315 -10.917 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.719 13.617 -11.534 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -26.961 13.767 -12.883 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -26.932 14.832 -10.977 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.305 15.018 -13.130 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.295 15.686 -11.990 1.00 0.00 N ATOM 0 H HIS A 76 -23.920 10.942 -11.642 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.622 13.326 -10.049 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.406 11.523 -11.659 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.991 12.076 -10.102 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -26.835 15.083 -9.931 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -27.552 15.426 -14.099 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -27.520 16.675 -11.880 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.635 11.946 -7.997 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.518 11.154 -6.777 1.00 0.00 C ATOM 1208 C LEU A 77 -25.872 11.009 -6.090 1.00 0.00 C ATOM 1209 O LEU A 77 -26.455 11.990 -5.629 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.515 11.801 -5.820 1.00 0.00 C ATOM 1211 CG LEU A 77 -22.393 12.610 -6.471 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -21.584 13.346 -5.414 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -21.493 11.705 -7.299 1.00 0.00 C ATOM 0 H LEU A 77 -24.610 12.955 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.162 10.161 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -24.061 12.456 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -23.065 11.016 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 77 -22.842 13.348 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -20.790 13.917 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -22.236 14.025 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -21.146 12.625 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -20.700 12.298 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.052 10.943 -6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -22.081 11.224 -8.081 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.367 9.777 -6.024 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.651 9.502 -5.391 1.00 0.00 C ATOM 1227 C VAL A 78 -27.472 8.678 -4.120 1.00 0.00 C ATOM 1228 O VAL A 78 -26.707 7.714 -4.095 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.599 8.752 -6.346 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.149 9.697 -7.404 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -27.883 7.575 -6.991 1.00 0.00 C ATOM 0 H VAL A 78 -25.898 8.954 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 78 -28.091 10.466 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.438 8.365 -5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.816 9.149 -8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.700 10.503 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.325 10.116 -7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.567 7.056 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.024 7.937 -7.557 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.543 6.887 -6.217 1.00 0.00 H new ATOM 1241 N LEU A 79 -28.183 9.065 -3.067 1.00 0.00 N ATOM 1242 CA LEU A 79 -28.104 8.362 -1.791 1.00 0.00 C ATOM 1243 C LEU A 79 -29.150 7.255 -1.713 1.00 0.00 C ATOM 1244 O LEU A 79 -30.314 7.461 -2.060 1.00 0.00 O ATOM 1245 CB LEU A 79 -28.296 9.343 -0.633 1.00 0.00 C ATOM 1246 CG LEU A 79 -27.037 10.064 -0.149 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -26.319 10.725 -1.315 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -27.389 11.093 0.916 1.00 0.00 C ATOM 0 H LEU A 79 -28.820 9.861 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 79 -27.116 7.908 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -29.026 10.093 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -28.726 8.801 0.209 1.00 0.00 H new ATOM 0 HG LEU A 79 -26.366 9.327 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -25.426 11.233 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -26.034 9.966 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -26.982 11.450 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -26.482 11.597 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -28.079 11.827 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -27.859 10.594 1.763 1.00 0.00 H new