USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 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 Set 1.1: A 33 ASN : amide:sc= -0.424 K(o=0.044,f=-6.8!) USER MOD Set 1.2: A 37 LYS NZ :NH3+ 139:sc= 0.468 (180deg=-0.0294) USER MOD Single : A 8 SER OG : rot 40:sc= 0.124 USER MOD Single : A 9 MET CE :methyl 152:sc= -0.173 (180deg=-1.71!) USER MOD Single : A 10 GLN : amide:sc= -0.0556 X(o=-0.056,f=-0.54) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.063) USER MOD Single : A 15 THR OG1 : rot -83:sc= 0.389 USER MOD Single : A 17 THR OG1 : rot -46:sc= 1.12 USER MOD Single : A 19 LYS NZ :NH3+ -114:sc= -0.239 (180deg=-1.97!) 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 -33:sc= 0.108 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0519 K(o=-0.052,f=-1) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc=-6.77e-05 K(o=-6.8e-05,f=-0.53) USER MOD Single : A 49 GLN : amide:sc= -3.82! C(o=-3.8!,f=-8.5!) 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=-0.33) USER MOD Single : A 63 THR OG1 : rot 57:sc= -0.31 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0867 X(o=-0.087,f=-0.12) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -108:sc= -0.474 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) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -5.212 9.597 -16.428 1.00 0.00 N ATOM 100 CA SER A 8 -6.161 10.200 -15.500 1.00 0.00 C ATOM 101 C SER A 8 -6.791 11.451 -16.104 1.00 0.00 C ATOM 102 O SER A 8 -6.094 12.404 -16.453 1.00 0.00 O ATOM 103 CB SER A 8 -5.465 10.551 -14.183 1.00 0.00 C ATOM 104 OG SER A 8 -4.806 9.422 -13.638 1.00 0.00 O ATOM 0 HA SER A 8 -6.951 9.475 -15.304 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.744 11.351 -14.351 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.198 10.928 -13.470 1.00 0.00 H new ATOM 0 HG SER A 8 -4.382 8.911 -14.359 1.00 0.00 H new ATOM 110 N MET A 9 -8.115 11.440 -16.224 1.00 0.00 N ATOM 111 CA MET A 9 -8.840 12.574 -16.785 1.00 0.00 C ATOM 112 C MET A 9 -9.852 13.121 -15.784 1.00 0.00 C ATOM 113 O MET A 9 -10.286 12.411 -14.877 1.00 0.00 O ATOM 114 CB MET A 9 -9.552 12.163 -18.076 1.00 0.00 C ATOM 115 CG MET A 9 -10.632 11.114 -17.866 1.00 0.00 C ATOM 116 SD MET A 9 -10.061 9.445 -18.239 1.00 0.00 S ATOM 117 CE MET A 9 -11.603 8.650 -18.683 1.00 0.00 C ATOM 0 H MET A 9 -8.707 10.659 -15.940 1.00 0.00 H new ATOM 0 HA MET A 9 -8.119 13.359 -17.011 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.999 13.046 -18.532 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.815 11.778 -18.781 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.976 11.154 -16.832 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.490 11.350 -18.496 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.405 7.837 -19.382 1.00 0.00 H new ATOM 0 HE2 MET A 9 -12.078 8.251 -17.787 1.00 0.00 H new ATOM 0 HE3 MET A 9 -12.266 9.378 -19.151 1.00 0.00 H new ATOM 127 N GLN A 10 -10.223 14.386 -15.955 1.00 0.00 N ATOM 128 CA GLN A 10 -11.183 15.027 -15.064 1.00 0.00 C ATOM 129 C GLN A 10 -12.593 14.954 -15.641 1.00 0.00 C ATOM 130 O GLN A 10 -12.787 15.093 -16.849 1.00 0.00 O ATOM 131 CB GLN A 10 -10.792 16.486 -14.824 1.00 0.00 C ATOM 132 CG GLN A 10 -11.061 17.392 -16.014 1.00 0.00 C ATOM 133 CD GLN A 10 -10.053 18.519 -16.130 1.00 0.00 C ATOM 134 OE1 GLN A 10 -8.848 18.305 -15.996 1.00 0.00 O ATOM 135 NE2 GLN A 10 -10.543 19.728 -16.379 1.00 0.00 N ATOM 0 H GLN A 10 -9.874 14.987 -16.702 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.171 14.494 -14.113 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.340 16.863 -13.960 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.732 16.533 -14.575 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.044 16.799 -16.928 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.062 17.813 -15.926 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.549 19.859 -16.483 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.913 20.525 -16.467 1.00 0.00 H new ATOM 144 N ILE A 11 -13.573 14.736 -14.770 1.00 0.00 N ATOM 145 CA ILE A 11 -14.964 14.646 -15.194 1.00 0.00 C ATOM 146 C ILE A 11 -15.840 15.622 -14.416 1.00 0.00 C ATOM 147 O ILE A 11 -15.397 16.228 -13.440 1.00 0.00 O ATOM 148 CB ILE A 11 -15.517 13.220 -15.011 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.493 12.826 -13.533 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.714 12.230 -15.842 1.00 0.00 C ATOM 151 CD1 ILE A 11 -16.029 11.436 -13.270 1.00 0.00 C ATOM 0 H ILE A 11 -13.429 14.619 -13.767 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.988 14.904 -16.253 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.551 13.200 -15.356 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.469 12.887 -13.165 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.080 13.547 -12.963 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.117 11.227 -15.702 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.778 12.503 -16.895 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.671 12.250 -15.525 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.982 11.224 -12.202 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.064 11.375 -13.607 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.428 10.706 -13.812 1.00 0.00 H new ATOM 163 N PHE A 12 -17.087 15.768 -14.853 1.00 0.00 N ATOM 164 CA PHE A 12 -18.026 16.670 -14.197 1.00 0.00 C ATOM 165 C PHE A 12 -19.146 15.888 -13.518 1.00 0.00 C ATOM 166 O PHE A 12 -19.792 15.042 -14.136 1.00 0.00 O ATOM 167 CB PHE A 12 -18.616 17.652 -15.212 1.00 0.00 C ATOM 168 CG PHE A 12 -17.580 18.471 -15.926 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.803 19.386 -15.233 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.382 18.327 -17.289 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.850 20.142 -15.888 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.429 19.080 -17.950 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.661 19.988 -17.248 1.00 0.00 C ATOM 0 H PHE A 12 -17.470 15.273 -15.658 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.483 17.229 -13.435 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -19.198 17.096 -15.947 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.306 18.321 -14.699 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -16.944 19.509 -14.169 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.979 17.618 -17.843 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.253 20.853 -15.337 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.286 18.958 -19.013 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.914 20.576 -17.761 1.00 0.00 H new ATOM 183 N VAL A 13 -19.371 16.177 -12.240 1.00 0.00 N ATOM 184 CA VAL A 13 -20.413 15.503 -11.475 1.00 0.00 C ATOM 185 C VAL A 13 -21.331 16.509 -10.790 1.00 0.00 C ATOM 186 O VAL A 13 -20.882 17.550 -10.310 1.00 0.00 O ATOM 187 CB VAL A 13 -19.811 14.567 -10.410 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.900 13.725 -9.762 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.737 13.682 -11.025 1.00 0.00 C ATOM 0 H VAL A 13 -18.845 16.874 -11.713 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.992 14.911 -12.184 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.347 15.177 -9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.456 13.070 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.630 14.379 -9.286 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.395 13.122 -10.523 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.322 13.027 -10.259 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.174 13.078 -11.820 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.944 14.306 -11.437 1.00 0.00 H new ATOM 199 N LYS A 14 -22.621 16.192 -10.749 1.00 0.00 N ATOM 200 CA LYS A 14 -23.604 17.067 -10.121 1.00 0.00 C ATOM 201 C LYS A 14 -24.048 16.508 -8.773 1.00 0.00 C ATOM 202 O LYS A 14 -24.522 15.375 -8.684 1.00 0.00 O ATOM 203 CB LYS A 14 -24.818 17.243 -11.036 1.00 0.00 C ATOM 204 CG LYS A 14 -24.687 18.406 -12.004 1.00 0.00 C ATOM 205 CD LYS A 14 -24.002 17.984 -13.294 1.00 0.00 C ATOM 206 CE LYS A 14 -23.647 19.185 -14.156 1.00 0.00 C ATOM 207 NZ LYS A 14 -24.851 19.984 -14.517 1.00 0.00 N ATOM 0 H LYS A 14 -23.010 15.335 -11.143 1.00 0.00 H new ATOM 0 HA LYS A 14 -23.136 18.038 -9.956 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.971 16.325 -11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.707 17.390 -10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.676 18.806 -12.230 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -24.118 19.209 -11.535 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -23.097 17.423 -13.060 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.657 17.315 -13.853 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -22.938 19.818 -13.623 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.150 18.846 -15.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.589 20.712 -15.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.573 19.358 -14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.233 20.441 -13.664 1.00 0.00 H new ATOM 221 N THR A 15 -23.892 17.311 -7.725 1.00 0.00 N ATOM 222 CA THR A 15 -24.276 16.897 -6.381 1.00 0.00 C ATOM 223 C THR A 15 -25.749 17.190 -6.116 1.00 0.00 C ATOM 224 O THR A 15 -26.443 17.751 -6.964 1.00 0.00 O ATOM 225 CB THR A 15 -23.423 17.602 -5.310 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.650 19.015 -5.355 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.944 17.314 -5.520 1.00 0.00 C ATOM 0 H THR A 15 -23.502 18.252 -7.781 1.00 0.00 H new ATOM 0 HA THR A 15 -24.105 15.822 -6.320 1.00 0.00 H new ATOM 0 HB THR A 15 -23.716 17.218 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.095 19.413 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.362 17.823 -4.752 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.770 16.240 -5.456 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.639 17.673 -6.503 1.00 0.00 H new ATOM 235 N LEU A 16 -26.219 16.808 -4.934 1.00 0.00 N ATOM 236 CA LEU A 16 -27.611 17.031 -4.556 1.00 0.00 C ATOM 237 C LEU A 16 -27.851 18.495 -4.202 1.00 0.00 C ATOM 238 O LEU A 16 -28.986 18.972 -4.220 1.00 0.00 O ATOM 239 CB LEU A 16 -27.987 16.139 -3.371 1.00 0.00 C ATOM 240 CG LEU A 16 -28.098 14.643 -3.666 1.00 0.00 C ATOM 241 CD1 LEU A 16 -26.759 13.956 -3.451 1.00 0.00 C ATOM 242 CD2 LEU A 16 -29.172 14.006 -2.796 1.00 0.00 C ATOM 0 H LEU A 16 -25.658 16.343 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.239 16.775 -5.409 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -27.244 16.280 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -28.942 16.482 -2.972 1.00 0.00 H new ATOM 0 HG LEU A 16 -28.384 14.518 -4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -26.857 12.892 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -26.015 14.393 -4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -26.443 14.090 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -29.237 12.941 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -28.916 14.141 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -30.133 14.479 -2.999 1.00 0.00 H new ATOM 254 N THR A 17 -26.774 19.205 -3.881 1.00 0.00 N ATOM 255 CA THR A 17 -26.867 20.615 -3.524 1.00 0.00 C ATOM 256 C THR A 17 -26.608 21.507 -4.732 1.00 0.00 C ATOM 257 O THR A 17 -26.126 22.630 -4.595 1.00 0.00 O ATOM 258 CB THR A 17 -25.869 20.979 -2.408 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.050 22.344 -2.015 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.436 20.766 -2.873 1.00 0.00 C ATOM 0 H THR A 17 -25.827 18.826 -3.861 1.00 0.00 H new ATOM 0 HA THR A 17 -27.882 20.783 -3.163 1.00 0.00 H new ATOM 0 HB THR A 17 -26.058 20.327 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 17 -26.121 22.908 -2.814 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.749 21.030 -2.068 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.293 19.720 -3.144 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.237 21.396 -3.740 1.00 0.00 H new ATOM 268 N GLY A 18 -26.932 20.998 -5.918 1.00 0.00 N ATOM 269 CA GLY A 18 -26.727 21.763 -7.134 1.00 0.00 C ATOM 270 C GLY A 18 -25.314 22.298 -7.252 1.00 0.00 C ATOM 271 O GLY A 18 -25.097 23.392 -7.773 1.00 0.00 O ATOM 0 H GLY A 18 -27.332 20.070 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -26.947 21.134 -7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.430 22.595 -7.159 1.00 0.00 H new ATOM 275 N LYS A 19 -24.348 21.526 -6.765 1.00 0.00 N ATOM 276 CA LYS A 19 -22.948 21.927 -6.817 1.00 0.00 C ATOM 277 C LYS A 19 -22.147 20.994 -7.721 1.00 0.00 C ATOM 278 O LYS A 19 -22.084 19.787 -7.484 1.00 0.00 O ATOM 279 CB LYS A 19 -22.345 21.933 -5.410 1.00 0.00 C ATOM 280 CG LYS A 19 -20.867 22.281 -5.384 1.00 0.00 C ATOM 281 CD LYS A 19 -19.999 21.034 -5.429 1.00 0.00 C ATOM 282 CE LYS A 19 -18.705 21.228 -4.654 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.209 19.949 -4.074 1.00 0.00 N ATOM 0 H LYS A 19 -24.510 20.618 -6.329 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.900 22.934 -7.231 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.889 22.648 -4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.487 20.951 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.628 22.922 -6.233 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.642 22.850 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.550 20.190 -5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.770 20.786 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.945 21.646 -5.314 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.865 21.951 -3.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.251 19.999 -3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.803 19.163 -4.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.226 19.790 -4.373 1.00 0.00 H new ATOM 297 N THR A 20 -21.536 21.561 -8.756 1.00 0.00 N ATOM 298 CA THR A 20 -20.740 20.780 -9.694 1.00 0.00 C ATOM 299 C THR A 20 -19.294 20.666 -9.226 1.00 0.00 C ATOM 300 O THR A 20 -18.611 21.673 -9.037 1.00 0.00 O ATOM 301 CB THR A 20 -20.763 21.401 -11.104 1.00 0.00 C ATOM 302 OG1 THR A 20 -22.031 22.021 -11.345 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.500 20.344 -12.165 1.00 0.00 C ATOM 0 H THR A 20 -21.577 22.558 -8.966 1.00 0.00 H new ATOM 0 HA THR A 20 -21.186 19.786 -9.735 1.00 0.00 H new ATOM 0 HB THR A 20 -19.975 22.152 -11.159 1.00 0.00 H new ATOM 0 HG1 THR A 20 -22.037 22.415 -12.242 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.521 20.806 -13.152 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.522 19.894 -11.996 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.268 19.573 -12.109 1.00 0.00 H new ATOM 311 N ILE A 21 -18.832 19.434 -9.041 1.00 0.00 N ATOM 312 CA ILE A 21 -17.466 19.189 -8.596 1.00 0.00 C ATOM 313 C ILE A 21 -16.698 18.352 -9.614 1.00 0.00 C ATOM 314 O ILE A 21 -17.203 17.348 -10.117 1.00 0.00 O ATOM 315 CB ILE A 21 -17.437 18.472 -7.233 1.00 0.00 C ATOM 316 CG1 ILE A 21 -15.999 18.126 -6.845 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.297 17.217 -7.276 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.588 16.723 -7.234 1.00 0.00 C ATOM 0 H ILE A 21 -19.384 18.590 -9.193 1.00 0.00 H new ATOM 0 HA ILE A 21 -16.988 20.163 -8.495 1.00 0.00 H new ATOM 0 HB ILE A 21 -17.846 19.143 -6.477 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.323 18.838 -7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.884 18.244 -5.768 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.266 16.721 -6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.326 17.489 -7.512 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.916 16.541 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.557 16.548 -6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.240 16.003 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.670 16.606 -8.315 1.00 0.00 H new ATOM 330 N THR A 22 -15.472 18.771 -9.912 1.00 0.00 N ATOM 331 CA THR A 22 -14.633 18.061 -10.869 1.00 0.00 C ATOM 332 C THR A 22 -13.843 16.949 -10.189 1.00 0.00 C ATOM 333 O THR A 22 -13.069 17.201 -9.264 1.00 0.00 O ATOM 334 CB THR A 22 -13.652 19.017 -11.574 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.296 20.265 -11.849 1.00 0.00 O ATOM 336 CG2 THR A 22 -13.140 18.407 -12.870 1.00 0.00 C ATOM 0 H THR A 22 -15.038 19.599 -9.504 1.00 0.00 H new ATOM 0 HA THR A 22 -15.301 17.625 -11.612 1.00 0.00 H new ATOM 0 HB THR A 22 -12.804 19.186 -10.911 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.665 20.867 -12.296 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.449 19.100 -13.350 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.624 17.472 -12.653 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.980 18.212 -13.537 1.00 0.00 H new ATOM 344 N LEU A 23 -14.041 15.720 -10.652 1.00 0.00 N ATOM 345 CA LEU A 23 -13.345 14.569 -10.088 1.00 0.00 C ATOM 346 C LEU A 23 -12.377 13.968 -11.101 1.00 0.00 C ATOM 347 O LEU A 23 -12.646 13.961 -12.302 1.00 0.00 O ATOM 348 CB LEU A 23 -14.353 13.510 -9.638 1.00 0.00 C ATOM 349 CG LEU A 23 -13.938 12.655 -8.439 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.975 13.476 -7.160 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.838 11.434 -8.318 1.00 0.00 C ATOM 0 H LEU A 23 -14.678 15.495 -11.416 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.773 14.908 -9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.291 14.010 -9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.553 12.847 -10.480 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.915 12.313 -8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.677 12.851 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.288 14.318 -7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.986 13.848 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.528 10.837 -7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.871 11.755 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.760 10.834 -9.224 1.00 0.00 H new ATOM 363 N GLU A 24 -11.251 13.461 -10.608 1.00 0.00 N ATOM 364 CA GLU A 24 -10.244 12.856 -11.472 1.00 0.00 C ATOM 365 C GLU A 24 -10.268 11.335 -11.353 1.00 0.00 C ATOM 366 O GLU A 24 -10.191 10.786 -10.254 1.00 0.00 O ATOM 367 CB GLU A 24 -8.852 13.384 -11.117 1.00 0.00 C ATOM 368 CG GLU A 24 -7.721 12.495 -11.605 1.00 0.00 C ATOM 369 CD GLU A 24 -6.511 13.288 -12.060 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.548 13.838 -13.180 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.526 13.357 -11.295 1.00 0.00 O ATOM 0 H GLU A 24 -11.014 13.457 -9.616 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.476 13.127 -12.502 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.730 14.379 -11.544 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.778 13.490 -10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.426 11.816 -10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.078 11.879 -12.430 1.00 0.00 H new ATOM 378 N VAL A 25 -10.376 10.660 -12.493 1.00 0.00 N ATOM 379 CA VAL A 25 -10.410 9.203 -12.519 1.00 0.00 C ATOM 380 C VAL A 25 -9.711 8.659 -13.760 1.00 0.00 C ATOM 381 O VAL A 25 -9.768 9.262 -14.830 1.00 0.00 O ATOM 382 CB VAL A 25 -11.857 8.675 -12.484 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.664 9.254 -13.636 1.00 0.00 C ATOM 384 CG2 VAL A 25 -11.869 7.154 -12.525 1.00 0.00 C ATOM 0 H VAL A 25 -10.441 11.100 -13.411 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.884 8.858 -11.629 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.320 8.995 -11.551 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.683 8.870 -13.595 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.682 10.341 -13.557 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.206 8.966 -14.582 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.899 6.797 -12.500 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.389 6.811 -13.441 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.328 6.763 -11.663 1.00 0.00 H new ATOM 394 N GLU A 26 -9.053 7.514 -13.607 1.00 0.00 N ATOM 395 CA GLU A 26 -8.343 6.888 -14.716 1.00 0.00 C ATOM 396 C GLU A 26 -9.323 6.300 -15.727 1.00 0.00 C ATOM 397 O GLU A 26 -10.453 5.938 -15.397 1.00 0.00 O ATOM 398 CB GLU A 26 -7.408 5.793 -14.199 1.00 0.00 C ATOM 399 CG GLU A 26 -6.632 6.192 -12.956 1.00 0.00 C ATOM 400 CD GLU A 26 -5.560 5.185 -12.588 1.00 0.00 C ATOM 401 OE1 GLU A 26 -4.973 4.580 -13.509 1.00 0.00 O ATOM 402 OE2 GLU A 26 -5.308 5.002 -11.379 1.00 0.00 O ATOM 0 H GLU A 26 -8.997 7.002 -12.727 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.751 7.656 -15.214 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.994 4.900 -13.980 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.703 5.527 -14.987 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.170 7.166 -13.118 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.323 6.302 -12.121 1.00 0.00 H new ATOM 409 N PRO A 27 -8.882 6.201 -16.990 1.00 0.00 N ATOM 410 CA PRO A 27 -9.704 5.658 -18.076 1.00 0.00 C ATOM 411 C PRO A 27 -9.931 4.157 -17.935 1.00 0.00 C ATOM 412 O PRO A 27 -10.867 3.604 -18.512 1.00 0.00 O ATOM 413 CB PRO A 27 -8.879 5.958 -19.330 1.00 0.00 C ATOM 414 CG PRO A 27 -7.473 6.045 -18.846 1.00 0.00 C ATOM 415 CD PRO A 27 -7.547 6.613 -17.456 1.00 0.00 C ATOM 0 HA PRO A 27 -10.702 6.097 -18.091 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.993 5.172 -20.076 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.195 6.890 -19.798 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.001 5.063 -18.841 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.875 6.683 -19.497 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.758 6.216 -16.817 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.439 7.698 -17.459 1.00 0.00 H new ATOM 423 N SER A 28 -9.069 3.502 -17.163 1.00 0.00 N ATOM 424 CA SER A 28 -9.175 2.064 -16.949 1.00 0.00 C ATOM 425 C SER A 28 -9.759 1.761 -15.572 1.00 0.00 C ATOM 426 O SER A 28 -10.177 0.636 -15.297 1.00 0.00 O ATOM 427 CB SER A 28 -7.801 1.404 -17.088 1.00 0.00 C ATOM 428 OG SER A 28 -7.909 -0.009 -17.056 1.00 0.00 O ATOM 0 H SER A 28 -8.290 3.945 -16.676 1.00 0.00 H new ATOM 0 HA SER A 28 -9.845 1.657 -17.707 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.337 1.715 -18.024 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.149 1.741 -16.282 1.00 0.00 H new ATOM 0 HG SER A 28 -8.643 -0.268 -16.461 1.00 0.00 H new ATOM 434 N ASP A 29 -9.784 2.772 -14.712 1.00 0.00 N ATOM 435 CA ASP A 29 -10.318 2.616 -13.364 1.00 0.00 C ATOM 436 C ASP A 29 -11.814 2.318 -13.402 1.00 0.00 C ATOM 437 O ASP A 29 -12.476 2.538 -14.417 1.00 0.00 O ATOM 438 CB ASP A 29 -10.059 3.879 -12.540 1.00 0.00 C ATOM 439 CG ASP A 29 -8.716 3.846 -11.837 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.859 3.028 -12.233 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.522 4.637 -10.890 1.00 0.00 O ATOM 0 H ASP A 29 -9.441 3.709 -14.924 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.810 1.774 -12.895 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.103 4.751 -13.193 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.851 3.995 -11.800 1.00 0.00 H new ATOM 446 N THR A 30 -12.340 1.813 -12.291 1.00 0.00 N ATOM 447 CA THR A 30 -13.756 1.482 -12.198 1.00 0.00 C ATOM 448 C THR A 30 -14.489 2.451 -11.277 1.00 0.00 C ATOM 449 O THR A 30 -13.867 3.284 -10.618 1.00 0.00 O ATOM 450 CB THR A 30 -13.965 0.045 -11.683 1.00 0.00 C ATOM 451 OG1 THR A 30 -13.649 -0.026 -10.288 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.097 -0.938 -12.455 1.00 0.00 C ATOM 0 H THR A 30 -11.806 1.624 -11.443 1.00 0.00 H new ATOM 0 HA THR A 30 -14.165 1.563 -13.205 1.00 0.00 H new ATOM 0 HB THR A 30 -15.011 -0.223 -11.833 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.786 -0.942 -9.968 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.261 -1.946 -12.074 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.359 -0.903 -13.512 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.047 -0.671 -12.333 1.00 0.00 H new ATOM 460 N ILE A 31 -15.812 2.335 -11.236 1.00 0.00 N ATOM 461 CA ILE A 31 -16.628 3.201 -10.394 1.00 0.00 C ATOM 462 C ILE A 31 -16.131 3.191 -8.952 1.00 0.00 C ATOM 463 O ILE A 31 -16.291 4.170 -8.224 1.00 0.00 O ATOM 464 CB ILE A 31 -18.108 2.776 -10.418 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.612 2.686 -11.860 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.953 3.756 -9.616 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.421 3.963 -12.647 1.00 0.00 C ATOM 0 H ILE A 31 -16.341 1.650 -11.776 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.541 4.209 -10.799 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.196 1.791 -9.960 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.092 1.874 -12.368 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.671 2.429 -11.851 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.997 3.443 -9.642 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.606 3.775 -8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.863 4.753 -10.048 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.801 3.827 -13.660 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.964 4.774 -12.162 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.360 4.210 -12.687 1.00 0.00 H new ATOM 479 N GLU A 32 -15.526 2.079 -8.547 1.00 0.00 N ATOM 480 CA GLU A 32 -15.005 1.943 -7.192 1.00 0.00 C ATOM 481 C GLU A 32 -13.925 2.985 -6.918 1.00 0.00 C ATOM 482 O GLU A 32 -13.818 3.507 -5.809 1.00 0.00 O ATOM 483 CB GLU A 32 -14.439 0.537 -6.978 1.00 0.00 C ATOM 484 CG GLU A 32 -15.426 -0.572 -7.300 1.00 0.00 C ATOM 485 CD GLU A 32 -15.209 -1.810 -6.453 1.00 0.00 C ATOM 486 OE1 GLU A 32 -14.160 -2.466 -6.617 1.00 0.00 O ATOM 487 OE2 GLU A 32 -16.090 -2.124 -5.624 1.00 0.00 O ATOM 0 H GLU A 32 -15.385 1.260 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.828 2.105 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.551 0.413 -7.599 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.119 0.437 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -16.441 -0.205 -7.147 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -15.338 -0.837 -8.354 1.00 0.00 H new ATOM 494 N ASN A 33 -13.125 3.282 -7.937 1.00 0.00 N ATOM 495 CA ASN A 33 -12.052 4.261 -7.806 1.00 0.00 C ATOM 496 C ASN A 33 -12.605 5.682 -7.837 1.00 0.00 C ATOM 497 O ASN A 33 -12.046 6.592 -7.224 1.00 0.00 O ATOM 498 CB ASN A 33 -11.026 4.077 -8.926 1.00 0.00 C ATOM 499 CG ASN A 33 -9.614 3.916 -8.397 1.00 0.00 C ATOM 500 OD1 ASN A 33 -8.923 4.900 -8.133 1.00 0.00 O ATOM 501 ND2 ASN A 33 -9.180 2.671 -8.239 1.00 0.00 N ATOM 0 H ASN A 33 -13.199 2.859 -8.862 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.564 4.101 -6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.291 3.201 -9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.064 4.937 -9.595 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.239 2.500 -7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.788 1.886 -8.471 1.00 0.00 H new ATOM 508 N VAL A 34 -13.709 5.867 -8.554 1.00 0.00 N ATOM 509 CA VAL A 34 -14.340 7.177 -8.664 1.00 0.00 C ATOM 510 C VAL A 34 -14.805 7.678 -7.302 1.00 0.00 C ATOM 511 O VAL A 34 -14.449 8.778 -6.877 1.00 0.00 O ATOM 512 CB VAL A 34 -15.543 7.141 -9.625 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.224 8.501 -9.679 1.00 0.00 C ATOM 514 CG2 VAL A 34 -15.104 6.700 -11.013 1.00 0.00 C ATOM 0 H VAL A 34 -14.185 5.126 -9.068 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.588 7.859 -9.061 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.264 6.415 -9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.072 8.457 -10.363 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.575 8.772 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.514 9.250 -10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.967 6.680 -11.678 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.363 7.400 -11.400 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.667 5.703 -10.957 1.00 0.00 H new ATOM 524 N LYS A 35 -15.604 6.865 -6.619 1.00 0.00 N ATOM 525 CA LYS A 35 -16.118 7.223 -5.303 1.00 0.00 C ATOM 526 C LYS A 35 -14.977 7.527 -4.337 1.00 0.00 C ATOM 527 O LYS A 35 -15.137 8.305 -3.397 1.00 0.00 O ATOM 528 CB LYS A 35 -16.985 6.092 -4.745 1.00 0.00 C ATOM 529 CG LYS A 35 -16.338 4.722 -4.852 1.00 0.00 C ATOM 530 CD LYS A 35 -17.047 3.701 -3.976 1.00 0.00 C ATOM 531 CE LYS A 35 -16.660 3.858 -2.514 1.00 0.00 C ATOM 532 NZ LYS A 35 -15.434 3.083 -2.178 1.00 0.00 N ATOM 0 H LYS A 35 -15.910 5.952 -6.956 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.728 8.120 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.208 6.299 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.936 6.078 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.358 4.389 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.290 4.789 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.126 3.815 -4.082 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.798 2.695 -4.313 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.495 4.913 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -17.484 3.526 -1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.204 3.216 -1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.600 2.073 -2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.641 3.417 -2.762 1.00 0.00 H new ATOM 546 N ALA A 36 -13.825 6.909 -4.576 1.00 0.00 N ATOM 547 CA ALA A 36 -12.657 7.116 -3.730 1.00 0.00 C ATOM 548 C ALA A 36 -12.305 8.597 -3.632 1.00 0.00 C ATOM 549 O ALA A 36 -11.946 9.091 -2.563 1.00 0.00 O ATOM 550 CB ALA A 36 -11.471 6.325 -4.263 1.00 0.00 C ATOM 0 H ALA A 36 -13.676 6.261 -5.349 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.898 6.759 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.606 6.490 -3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.718 5.263 -4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.239 6.655 -5.276 1.00 0.00 H new ATOM 556 N LYS A 37 -12.411 9.301 -4.754 1.00 0.00 N ATOM 557 CA LYS A 37 -12.105 10.726 -4.796 1.00 0.00 C ATOM 558 C LYS A 37 -13.230 11.542 -4.168 1.00 0.00 C ATOM 559 O LYS A 37 -12.992 12.603 -3.591 1.00 0.00 O ATOM 560 CB LYS A 37 -11.877 11.177 -6.240 1.00 0.00 C ATOM 561 CG LYS A 37 -10.582 10.660 -6.842 1.00 0.00 C ATOM 562 CD LYS A 37 -10.756 9.267 -7.425 1.00 0.00 C ATOM 563 CE LYS A 37 -9.484 8.786 -8.105 1.00 0.00 C ATOM 564 NZ LYS A 37 -9.753 7.679 -9.064 1.00 0.00 N ATOM 0 H LYS A 37 -12.707 8.907 -5.647 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.194 10.894 -4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.713 10.840 -6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.875 12.266 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.244 11.342 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.806 10.641 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.032 8.571 -6.632 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.575 9.272 -8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.017 9.618 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.774 8.448 -7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.184 7.819 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.500 6.771 -8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.763 7.674 -9.314 1.00 0.00 H new ATOM 578 N ILE A 38 -14.455 11.040 -4.284 1.00 0.00 N ATOM 579 CA ILE A 38 -15.616 11.722 -3.725 1.00 0.00 C ATOM 580 C ILE A 38 -15.532 11.792 -2.204 1.00 0.00 C ATOM 581 O ILE A 38 -16.031 12.734 -1.588 1.00 0.00 O ATOM 582 CB ILE A 38 -16.927 11.020 -4.124 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.077 10.999 -5.647 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.117 11.715 -3.479 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.202 12.376 -6.261 1.00 0.00 C ATOM 0 H ILE A 38 -14.669 10.164 -4.760 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.616 12.733 -4.134 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.894 9.991 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.215 10.493 -6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.957 10.412 -5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.037 11.207 -3.770 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.013 11.683 -2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.155 12.753 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.305 12.284 -7.342 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.080 12.877 -5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.311 12.960 -6.030 1.00 0.00 H new ATOM 597 N GLN A 39 -14.897 10.790 -1.604 1.00 0.00 N ATOM 598 CA GLN A 39 -14.748 10.739 -0.155 1.00 0.00 C ATOM 599 C GLN A 39 -14.118 12.024 0.373 1.00 0.00 C ATOM 600 O GLN A 39 -14.461 12.495 1.457 1.00 0.00 O ATOM 601 CB GLN A 39 -13.895 9.535 0.249 1.00 0.00 C ATOM 602 CG GLN A 39 -14.680 8.237 0.342 1.00 0.00 C ATOM 603 CD GLN A 39 -13.927 7.152 1.088 1.00 0.00 C ATOM 604 OE1 GLN A 39 -13.188 7.431 2.033 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.112 5.907 0.667 1.00 0.00 N ATOM 0 H GLN A 39 -14.478 10.003 -2.099 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.740 10.636 0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.090 9.412 -0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.429 9.738 1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.629 8.426 0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.915 7.886 -0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.734 5.722 -0.120 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.633 5.135 1.131 1.00 0.00 H new ATOM 614 N ASP A 40 -13.195 12.585 -0.400 1.00 0.00 N ATOM 615 CA ASP A 40 -12.517 13.816 -0.011 1.00 0.00 C ATOM 616 C ASP A 40 -13.413 15.028 -0.249 1.00 0.00 C ATOM 617 O ASP A 40 -13.242 16.073 0.379 1.00 0.00 O ATOM 618 CB ASP A 40 -11.210 13.972 -0.789 1.00 0.00 C ATOM 619 CG ASP A 40 -10.277 14.986 -0.157 1.00 0.00 C ATOM 620 OD1 ASP A 40 -9.747 14.703 0.938 1.00 0.00 O ATOM 621 OD2 ASP A 40 -10.075 16.061 -0.758 1.00 0.00 O ATOM 0 H ASP A 40 -12.899 12.207 -1.300 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.291 13.756 1.054 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.707 13.007 -0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.433 14.276 -1.812 1.00 0.00 H new ATOM 626 N LYS A 41 -14.368 14.882 -1.161 1.00 0.00 N ATOM 627 CA LYS A 41 -15.291 15.963 -1.483 1.00 0.00 C ATOM 628 C LYS A 41 -16.392 16.069 -0.433 1.00 0.00 C ATOM 629 O LYS A 41 -16.644 17.145 0.108 1.00 0.00 O ATOM 630 CB LYS A 41 -15.909 15.739 -2.865 1.00 0.00 C ATOM 631 CG LYS A 41 -14.902 15.319 -3.921 1.00 0.00 C ATOM 632 CD LYS A 41 -13.903 16.427 -4.211 1.00 0.00 C ATOM 633 CE LYS A 41 -12.554 15.865 -4.634 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.713 16.891 -5.309 1.00 0.00 N ATOM 0 H LYS A 41 -14.523 14.024 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.729 16.897 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.682 14.975 -2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.399 16.657 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.371 14.428 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.426 15.051 -4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.292 17.072 -4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.778 17.047 -3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.029 15.484 -3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.707 15.021 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.802 16.469 -5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.203 17.237 -6.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.545 17.685 -4.659 1.00 0.00 H new ATOM 648 N GLU A 42 -17.043 14.946 -0.149 1.00 0.00 N ATOM 649 CA GLU A 42 -18.116 14.914 0.838 1.00 0.00 C ATOM 650 C GLU A 42 -17.816 13.898 1.936 1.00 0.00 C ATOM 651 O GLU A 42 -18.155 14.108 3.100 1.00 0.00 O ATOM 652 CB GLU A 42 -19.448 14.575 0.164 1.00 0.00 C ATOM 653 CG GLU A 42 -19.998 15.698 -0.698 1.00 0.00 C ATOM 654 CD GLU A 42 -20.301 16.952 0.101 1.00 0.00 C ATOM 655 OE1 GLU A 42 -19.359 17.726 0.371 1.00 0.00 O ATOM 656 OE2 GLU A 42 -21.480 17.158 0.455 1.00 0.00 O ATOM 0 H GLU A 42 -16.846 14.047 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.187 15.902 1.292 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.317 13.686 -0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.181 14.326 0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.278 15.936 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.908 15.359 -1.193 1.00 0.00 H new ATOM 663 N GLY A 43 -17.178 12.796 1.556 1.00 0.00 N ATOM 664 CA GLY A 43 -16.843 11.763 2.520 1.00 0.00 C ATOM 665 C GLY A 43 -18.051 10.952 2.944 1.00 0.00 C ATOM 666 O GLY A 43 -18.522 11.073 4.075 1.00 0.00 O ATOM 0 H GLY A 43 -16.887 12.599 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.095 11.097 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.392 12.223 3.399 1.00 0.00 H new ATOM 670 N ILE A 44 -18.555 10.125 2.034 1.00 0.00 N ATOM 671 CA ILE A 44 -19.716 9.291 2.321 1.00 0.00 C ATOM 672 C ILE A 44 -19.414 7.819 2.058 1.00 0.00 C ATOM 673 O ILE A 44 -18.572 7.471 1.230 1.00 0.00 O ATOM 674 CB ILE A 44 -20.933 9.712 1.477 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.550 9.802 -0.002 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.484 11.042 1.968 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.720 10.099 -0.913 1.00 0.00 C ATOM 0 H ILE A 44 -18.178 10.015 1.093 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.951 9.428 3.377 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.710 8.956 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.796 10.580 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.092 8.862 -0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.344 11.326 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.791 10.947 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.713 11.808 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.374 10.148 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.465 9.309 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.165 11.054 -0.634 1.00 0.00 H new ATOM 689 N PRO A 45 -20.117 6.933 2.779 1.00 0.00 N ATOM 690 CA PRO A 45 -19.944 5.484 2.640 1.00 0.00 C ATOM 691 C PRO A 45 -20.467 4.963 1.306 1.00 0.00 C ATOM 692 O PRO A 45 -21.167 5.660 0.571 1.00 0.00 O ATOM 693 CB PRO A 45 -20.769 4.916 3.797 1.00 0.00 C ATOM 694 CG PRO A 45 -21.795 5.959 4.079 1.00 0.00 C ATOM 695 CD PRO A 45 -21.137 7.278 3.784 1.00 0.00 C ATOM 0 HA PRO A 45 -18.893 5.195 2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -21.233 3.968 3.524 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -20.146 4.726 4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.678 5.816 3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.125 5.911 5.117 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.851 8.006 3.399 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.690 7.713 4.678 1.00 0.00 H new ATOM 703 N PRO A 46 -20.123 3.707 0.985 1.00 0.00 N ATOM 704 CA PRO A 46 -20.549 3.064 -0.262 1.00 0.00 C ATOM 705 C PRO A 46 -22.043 2.762 -0.278 1.00 0.00 C ATOM 706 O PRO A 46 -22.677 2.770 -1.333 1.00 0.00 O ATOM 707 CB PRO A 46 -19.740 1.765 -0.285 1.00 0.00 C ATOM 708 CG PRO A 46 -19.442 1.479 1.146 1.00 0.00 C ATOM 709 CD PRO A 46 -19.292 2.818 1.813 1.00 0.00 C ATOM 0 HA PRO A 46 -20.380 3.703 -1.129 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -20.307 0.954 -0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.824 1.879 -0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -20.246 0.903 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.530 0.890 1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.637 2.793 2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.252 3.143 1.832 1.00 0.00 H new ATOM 717 N ASP A 47 -22.601 2.498 0.899 1.00 0.00 N ATOM 718 CA ASP A 47 -24.022 2.195 1.021 1.00 0.00 C ATOM 719 C ASP A 47 -24.871 3.359 0.517 1.00 0.00 C ATOM 720 O ASP A 47 -25.982 3.161 0.027 1.00 0.00 O ATOM 721 CB ASP A 47 -24.376 1.882 2.475 1.00 0.00 C ATOM 722 CG ASP A 47 -23.375 0.948 3.126 1.00 0.00 C ATOM 723 OD1 ASP A 47 -22.857 0.053 2.426 1.00 0.00 O ATOM 724 OD2 ASP A 47 -23.111 1.111 4.336 1.00 0.00 O ATOM 0 H ASP A 47 -22.090 2.488 1.782 1.00 0.00 H new ATOM 0 HA ASP A 47 -24.235 1.320 0.407 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -24.424 2.811 3.042 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -25.368 1.432 2.516 1.00 0.00 H new ATOM 729 N GLN A 48 -24.339 4.570 0.642 1.00 0.00 N ATOM 730 CA GLN A 48 -25.049 5.765 0.200 1.00 0.00 C ATOM 731 C GLN A 48 -24.431 6.324 -1.077 1.00 0.00 C ATOM 732 O GLN A 48 -25.098 7.011 -1.850 1.00 0.00 O ATOM 733 CB GLN A 48 -25.030 6.830 1.299 1.00 0.00 C ATOM 734 CG GLN A 48 -25.820 6.439 2.538 1.00 0.00 C ATOM 735 CD GLN A 48 -25.282 7.084 3.800 1.00 0.00 C ATOM 736 OE1 GLN A 48 -24.616 8.119 3.747 1.00 0.00 O ATOM 737 NE2 GLN A 48 -25.568 6.476 4.945 1.00 0.00 N ATOM 0 H GLN A 48 -23.420 4.750 1.045 1.00 0.00 H new ATOM 0 HA GLN A 48 -26.082 5.487 -0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.997 7.028 1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.434 7.760 0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.863 6.725 2.404 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -25.799 5.355 2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.123 5.620 4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.233 6.865 5.826 1.00 0.00 H new ATOM 746 N GLN A 49 -23.154 6.026 -1.291 1.00 0.00 N ATOM 747 CA GLN A 49 -22.447 6.500 -2.474 1.00 0.00 C ATOM 748 C GLN A 49 -22.834 5.685 -3.704 1.00 0.00 C ATOM 749 O GLN A 49 -22.549 4.490 -3.783 1.00 0.00 O ATOM 750 CB GLN A 49 -20.935 6.427 -2.255 1.00 0.00 C ATOM 751 CG GLN A 49 -20.124 6.999 -3.407 1.00 0.00 C ATOM 752 CD GLN A 49 -20.345 8.487 -3.593 1.00 0.00 C ATOM 753 OE1 GLN A 49 -19.742 9.307 -2.900 1.00 0.00 O ATOM 754 NE2 GLN A 49 -21.212 8.844 -4.533 1.00 0.00 N ATOM 0 H GLN A 49 -22.588 5.458 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 49 -22.733 7.538 -2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -20.682 6.965 -1.341 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.648 5.387 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.065 6.812 -3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -20.389 6.478 -4.327 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -21.689 8.131 -5.084 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -21.401 9.832 -4.704 1.00 0.00 H new ATOM 763 N ARG A 50 -23.485 6.339 -4.660 1.00 0.00 N ATOM 764 CA ARG A 50 -23.913 5.674 -5.885 1.00 0.00 C ATOM 765 C ARG A 50 -23.788 6.609 -7.084 1.00 0.00 C ATOM 766 O ARG A 50 -24.298 7.731 -7.066 1.00 0.00 O ATOM 767 CB ARG A 50 -25.359 5.191 -5.750 1.00 0.00 C ATOM 768 CG ARG A 50 -25.562 4.183 -4.631 1.00 0.00 C ATOM 769 CD ARG A 50 -26.600 3.137 -5.006 1.00 0.00 C ATOM 770 NE ARG A 50 -27.810 3.252 -4.196 1.00 0.00 N ATOM 771 CZ ARG A 50 -28.779 4.127 -4.441 1.00 0.00 C ATOM 772 NH1 ARG A 50 -28.679 4.960 -5.468 1.00 0.00 N ATOM 773 NH2 ARG A 50 -29.849 4.171 -3.658 1.00 0.00 N ATOM 0 H ARG A 50 -23.728 7.328 -4.610 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.263 4.814 -6.048 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.006 6.051 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -25.673 4.743 -6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -24.615 3.693 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -25.877 4.701 -3.725 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -26.858 3.243 -6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -26.173 2.142 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 50 -27.917 2.626 -3.398 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -27.857 4.929 -6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -29.424 5.631 -5.655 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -29.928 3.532 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -30.592 4.843 -3.847 1.00 0.00 H new ATOM 787 N LEU A 51 -23.106 6.142 -8.124 1.00 0.00 N ATOM 788 CA LEU A 51 -22.913 6.936 -9.332 1.00 0.00 C ATOM 789 C LEU A 51 -23.975 6.606 -10.376 1.00 0.00 C ATOM 790 O LEU A 51 -24.290 5.438 -10.607 1.00 0.00 O ATOM 791 CB LEU A 51 -21.519 6.690 -9.910 1.00 0.00 C ATOM 792 CG LEU A 51 -20.377 7.479 -9.267 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.616 8.974 -9.405 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.223 7.094 -7.802 1.00 0.00 C ATOM 0 H LEU A 51 -22.677 5.217 -8.155 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.008 7.988 -9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.294 5.627 -9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.542 6.925 -10.974 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.452 7.231 -9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.793 9.518 -8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.676 9.237 -10.461 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.551 9.240 -8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.406 7.665 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.148 7.313 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.004 6.029 -7.727 1.00 0.00 H new ATOM 806 N ILE A 52 -24.521 7.641 -11.005 1.00 0.00 N ATOM 807 CA ILE A 52 -25.544 7.459 -12.028 1.00 0.00 C ATOM 808 C ILE A 52 -25.057 7.952 -13.386 1.00 0.00 C ATOM 809 O ILE A 52 -24.370 8.969 -13.480 1.00 0.00 O ATOM 810 CB ILE A 52 -26.843 8.201 -11.661 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.238 7.899 -10.214 1.00 0.00 C ATOM 812 CG2 ILE A 52 -27.963 7.810 -12.614 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.425 6.424 -9.934 1.00 0.00 C ATOM 0 H ILE A 52 -24.273 8.614 -10.825 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.748 6.390 -12.084 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.670 9.273 -11.754 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.471 8.293 -9.547 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.164 8.425 -9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -28.875 8.342 -12.342 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.681 8.071 -13.634 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.137 6.736 -12.550 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.704 6.284 -8.890 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.212 6.029 -10.576 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.494 5.895 -10.135 1.00 0.00 H new ATOM 825 N PHE A 53 -25.419 7.224 -14.437 1.00 0.00 N ATOM 826 CA PHE A 53 -25.020 7.586 -15.792 1.00 0.00 C ATOM 827 C PHE A 53 -26.151 7.322 -16.782 1.00 0.00 C ATOM 828 O PHE A 53 -26.604 6.188 -16.934 1.00 0.00 O ATOM 829 CB PHE A 53 -23.772 6.803 -16.206 1.00 0.00 C ATOM 830 CG PHE A 53 -23.120 7.329 -17.452 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.303 8.447 -17.404 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.323 6.705 -18.673 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.702 8.934 -18.549 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.725 7.187 -19.822 1.00 0.00 C ATOM 835 CZ PHE A 53 -21.912 8.302 -19.760 1.00 0.00 C ATOM 0 H PHE A 53 -25.988 6.380 -14.376 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.792 8.652 -15.803 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.050 6.828 -15.390 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.043 5.759 -16.361 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.134 8.944 -16.460 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -23.956 5.832 -18.727 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -21.069 9.807 -18.498 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -22.893 6.692 -20.767 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.441 8.679 -20.656 1.00 0.00 H new ATOM 845 N ALA A 54 -26.602 8.377 -17.452 1.00 0.00 N ATOM 846 CA ALA A 54 -27.678 8.260 -18.427 1.00 0.00 C ATOM 847 C ALA A 54 -28.900 7.582 -17.818 1.00 0.00 C ATOM 848 O ALA A 54 -29.552 6.760 -18.461 1.00 0.00 O ATOM 849 CB ALA A 54 -27.201 7.492 -19.650 1.00 0.00 C ATOM 0 H ALA A 54 -26.238 9.323 -17.337 1.00 0.00 H new ATOM 0 HA ALA A 54 -27.968 9.265 -18.733 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -28.015 7.412 -20.370 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.363 8.019 -20.107 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.882 6.494 -19.351 1.00 0.00 H new ATOM 855 N GLY A 55 -29.205 7.931 -16.571 1.00 0.00 N ATOM 856 CA GLY A 55 -30.348 7.345 -15.896 1.00 0.00 C ATOM 857 C GLY A 55 -30.129 5.887 -15.543 1.00 0.00 C ATOM 858 O GLY A 55 -31.084 5.146 -15.309 1.00 0.00 O ATOM 0 H GLY A 55 -28.681 8.609 -16.017 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.557 7.908 -14.986 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.227 7.433 -16.534 1.00 0.00 H new ATOM 862 N LYS A 56 -28.867 5.472 -15.507 1.00 0.00 N ATOM 863 CA LYS A 56 -28.523 4.093 -15.182 1.00 0.00 C ATOM 864 C LYS A 56 -27.455 4.040 -14.095 1.00 0.00 C ATOM 865 O LYS A 56 -26.387 4.637 -14.233 1.00 0.00 O ATOM 866 CB LYS A 56 -28.031 3.360 -16.432 1.00 0.00 C ATOM 867 CG LYS A 56 -29.125 2.599 -17.161 1.00 0.00 C ATOM 868 CD LYS A 56 -29.763 3.446 -18.249 1.00 0.00 C ATOM 869 CE LYS A 56 -30.670 2.614 -19.143 1.00 0.00 C ATOM 870 NZ LYS A 56 -31.999 2.373 -18.515 1.00 0.00 N ATOM 0 H LYS A 56 -28.065 6.072 -15.699 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.420 3.600 -14.809 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -27.586 4.083 -17.115 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.243 2.663 -16.148 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -28.708 1.693 -17.601 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -29.888 2.285 -16.449 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -30.339 4.252 -17.794 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -28.984 3.912 -18.852 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -30.806 3.124 -20.097 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -30.191 1.659 -19.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -32.587 1.803 -19.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -31.871 1.864 -17.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -32.467 3.284 -18.333 1.00 0.00 H new ATOM 884 N GLN A 57 -27.749 3.322 -13.016 1.00 0.00 N ATOM 885 CA GLN A 57 -26.812 3.192 -11.906 1.00 0.00 C ATOM 886 C GLN A 57 -25.537 2.484 -12.351 1.00 0.00 C ATOM 887 O GLN A 57 -25.584 1.528 -13.127 1.00 0.00 O ATOM 888 CB GLN A 57 -27.460 2.426 -10.752 1.00 0.00 C ATOM 889 CG GLN A 57 -27.744 0.967 -11.073 1.00 0.00 C ATOM 890 CD GLN A 57 -28.371 0.224 -9.910 1.00 0.00 C ATOM 891 OE1 GLN A 57 -29.214 0.766 -9.194 1.00 0.00 O ATOM 892 NE2 GLN A 57 -27.961 -1.023 -9.714 1.00 0.00 N ATOM 0 H GLN A 57 -28.628 2.821 -12.887 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.549 4.193 -11.565 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -26.807 2.477 -9.881 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.394 2.918 -10.480 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.409 0.912 -11.935 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -26.814 0.474 -11.355 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -27.260 -1.433 -10.332 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -28.347 -1.572 -8.946 1.00 0.00 H new ATOM 901 N LEU A 58 -24.400 2.958 -11.855 1.00 0.00 N ATOM 902 CA LEU A 58 -23.110 2.370 -12.202 1.00 0.00 C ATOM 903 C LEU A 58 -22.600 1.475 -11.077 1.00 0.00 C ATOM 904 O LEU A 58 -22.883 1.716 -9.904 1.00 0.00 O ATOM 905 CB LEU A 58 -22.089 3.470 -12.497 1.00 0.00 C ATOM 906 CG LEU A 58 -22.567 4.604 -13.404 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.617 5.789 -13.324 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.697 4.119 -14.841 1.00 0.00 C ATOM 0 H LEU A 58 -24.344 3.747 -11.212 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.245 1.759 -13.095 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.766 3.901 -11.550 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.212 3.011 -12.954 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.549 4.928 -13.060 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.974 6.586 -13.976 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.574 6.152 -12.297 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.621 5.479 -13.641 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -23.038 4.939 -15.472 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.728 3.767 -15.195 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.418 3.303 -14.886 1.00 0.00 H new ATOM 920 N GLU A 59 -21.845 0.444 -11.444 1.00 0.00 N ATOM 921 CA GLU A 59 -21.295 -0.486 -10.464 1.00 0.00 C ATOM 922 C GLU A 59 -19.864 -0.872 -10.826 1.00 0.00 C ATOM 923 O GLU A 59 -19.359 -0.505 -11.887 1.00 0.00 O ATOM 924 CB GLU A 59 -22.166 -1.740 -10.373 1.00 0.00 C ATOM 925 CG GLU A 59 -23.573 -1.469 -9.868 1.00 0.00 C ATOM 926 CD GLU A 59 -24.326 -2.740 -9.527 1.00 0.00 C ATOM 927 OE1 GLU A 59 -23.856 -3.490 -8.646 1.00 0.00 O ATOM 928 OE2 GLU A 59 -25.385 -2.985 -10.142 1.00 0.00 O ATOM 0 H GLU A 59 -21.600 0.232 -12.411 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.285 0.011 -9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.226 -2.203 -11.358 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.684 -2.460 -9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.521 -0.834 -8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.127 -0.916 -10.626 1.00 0.00 H new ATOM 935 N ASP A 60 -19.215 -1.615 -9.935 1.00 0.00 N ATOM 936 CA ASP A 60 -17.842 -2.052 -10.160 1.00 0.00 C ATOM 937 C ASP A 60 -17.765 -3.019 -11.337 1.00 0.00 C ATOM 938 O ASP A 60 -18.742 -3.213 -12.059 1.00 0.00 O ATOM 939 CB ASP A 60 -17.284 -2.716 -8.900 1.00 0.00 C ATOM 940 CG ASP A 60 -17.780 -4.138 -8.727 1.00 0.00 C ATOM 941 OD1 ASP A 60 -18.953 -4.403 -9.064 1.00 0.00 O ATOM 942 OD2 ASP A 60 -16.995 -4.987 -8.256 1.00 0.00 O ATOM 0 H ASP A 60 -19.618 -1.927 -9.051 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.241 -1.174 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -16.195 -2.717 -8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -17.566 -2.127 -8.027 1.00 0.00 H new ATOM 947 N GLY A 61 -16.596 -3.623 -11.524 1.00 0.00 N ATOM 948 CA GLY A 61 -16.412 -4.562 -12.616 1.00 0.00 C ATOM 949 C GLY A 61 -15.971 -3.883 -13.897 1.00 0.00 C ATOM 950 O GLY A 61 -14.946 -4.243 -14.477 1.00 0.00 O ATOM 0 H GLY A 61 -15.773 -3.479 -10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -15.670 -5.307 -12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.346 -5.095 -12.794 1.00 0.00 H new ATOM 954 N ARG A 62 -16.746 -2.898 -14.340 1.00 0.00 N ATOM 955 CA ARG A 62 -16.430 -2.169 -15.563 1.00 0.00 C ATOM 956 C ARG A 62 -15.597 -0.928 -15.256 1.00 0.00 C ATOM 957 O ARG A 62 -15.456 -0.532 -14.098 1.00 0.00 O ATOM 958 CB ARG A 62 -17.716 -1.767 -16.288 1.00 0.00 C ATOM 959 CG ARG A 62 -18.465 -2.942 -16.896 1.00 0.00 C ATOM 960 CD ARG A 62 -17.733 -3.505 -18.103 1.00 0.00 C ATOM 961 NE ARG A 62 -18.541 -4.483 -18.826 1.00 0.00 N ATOM 962 CZ ARG A 62 -18.802 -5.703 -18.370 1.00 0.00 C ATOM 963 NH1 ARG A 62 -18.320 -6.092 -17.198 1.00 0.00 N ATOM 964 NH2 ARG A 62 -19.546 -6.536 -19.086 1.00 0.00 N ATOM 0 H ARG A 62 -17.596 -2.587 -13.871 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.847 -2.826 -16.208 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.373 -1.252 -15.587 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.471 -1.056 -17.077 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.588 -3.724 -16.146 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -19.465 -2.624 -17.191 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.462 -2.691 -18.775 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.803 -3.972 -17.778 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.926 -4.214 -19.731 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -17.748 -5.454 -16.645 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -18.521 -7.029 -16.849 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.919 -6.240 -19.988 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.745 -7.472 -18.734 1.00 0.00 H new ATOM 978 N THR A 63 -15.046 -0.318 -16.301 1.00 0.00 N ATOM 979 CA THR A 63 -14.226 0.877 -16.143 1.00 0.00 C ATOM 980 C THR A 63 -14.933 2.106 -16.701 1.00 0.00 C ATOM 981 O THR A 63 -15.867 1.991 -17.497 1.00 0.00 O ATOM 982 CB THR A 63 -12.864 0.719 -16.845 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.248 2.001 -17.011 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.028 0.049 -18.201 1.00 0.00 C ATOM 0 H THR A 63 -15.153 -0.632 -17.266 1.00 0.00 H new ATOM 0 HA THR A 63 -14.062 1.010 -15.074 1.00 0.00 H new ATOM 0 HB THR A 63 -12.229 0.089 -16.222 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.156 2.436 -16.137 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.053 -0.052 -18.677 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.470 -0.938 -18.068 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.678 0.656 -18.831 1.00 0.00 H new ATOM 992 N LEU A 64 -14.483 3.283 -16.281 1.00 0.00 N ATOM 993 CA LEU A 64 -15.072 4.536 -16.740 1.00 0.00 C ATOM 994 C LEU A 64 -15.127 4.586 -18.264 1.00 0.00 C ATOM 995 O LEU A 64 -16.095 5.078 -18.844 1.00 0.00 O ATOM 996 CB LEU A 64 -14.270 5.725 -16.208 1.00 0.00 C ATOM 997 CG LEU A 64 -14.480 6.070 -14.733 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.960 6.234 -14.428 1.00 0.00 C ATOM 999 CD2 LEU A 64 -13.865 5.000 -13.843 1.00 0.00 C ATOM 0 H LEU A 64 -13.712 3.396 -15.623 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.091 4.592 -16.356 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.211 5.523 -16.366 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.520 6.602 -16.805 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.981 7.017 -14.527 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -16.089 6.479 -13.374 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.371 7.037 -15.040 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.483 5.304 -14.651 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.024 5.262 -12.797 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.335 4.039 -14.052 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.795 4.932 -14.042 1.00 0.00 H new ATOM 1011 N SER A 65 -14.083 4.072 -18.906 1.00 0.00 N ATOM 1012 CA SER A 65 -14.012 4.060 -20.362 1.00 0.00 C ATOM 1013 C SER A 65 -15.074 3.136 -20.950 1.00 0.00 C ATOM 1014 O SER A 65 -15.564 3.362 -22.056 1.00 0.00 O ATOM 1015 CB SER A 65 -12.622 3.615 -20.822 1.00 0.00 C ATOM 1016 OG SER A 65 -12.584 3.431 -22.226 1.00 0.00 O ATOM 0 H SER A 65 -13.275 3.659 -18.441 1.00 0.00 H new ATOM 0 HA SER A 65 -14.198 5.073 -20.719 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.883 4.361 -20.530 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.351 2.685 -20.323 1.00 0.00 H new ATOM 0 HG SER A 65 -11.685 3.148 -22.495 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.424 2.094 -20.201 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.427 1.136 -20.649 1.00 0.00 C ATOM 1024 C GLU A 66 -17.830 1.727 -20.544 1.00 0.00 C ATOM 1025 O GLU A 66 -18.736 1.338 -21.281 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.341 -0.150 -19.823 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.243 -1.095 -20.281 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.654 -1.929 -21.478 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.830 -2.345 -21.535 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -14.800 -2.166 -22.358 1.00 0.00 O ATOM 0 H GLU A 66 -15.028 1.893 -19.283 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.227 0.902 -21.695 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.173 0.110 -18.778 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.299 -0.668 -19.872 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.354 -0.518 -20.533 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.971 -1.756 -19.458 1.00 0.00 H new ATOM 1037 N TYR A 67 -18.001 2.669 -19.622 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.293 3.312 -19.418 1.00 0.00 C ATOM 1039 C TYR A 67 -19.424 4.559 -20.287 1.00 0.00 C ATOM 1040 O TYR A 67 -20.338 5.362 -20.106 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.475 3.682 -17.945 1.00 0.00 C ATOM 1042 CG TYR A 67 -20.006 2.548 -17.097 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.180 1.889 -17.441 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.335 2.137 -15.952 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.670 0.853 -16.669 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.817 1.102 -15.175 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.984 0.463 -15.537 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.468 -0.568 -14.765 1.00 0.00 O ATOM 0 H TYR A 67 -17.261 3.004 -19.005 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.071 2.606 -19.707 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.517 4.010 -17.540 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.158 4.529 -17.873 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.719 2.192 -18.327 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.421 2.635 -15.665 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.584 0.352 -16.950 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.283 0.795 -14.288 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.867 -0.718 -14.006 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.503 4.713 -21.232 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.514 5.862 -22.131 1.00 0.00 C ATOM 1060 C ASN A 68 -18.366 7.164 -21.350 1.00 0.00 C ATOM 1061 O ASN A 68 -18.790 8.226 -21.808 1.00 0.00 O ATOM 1062 CB ASN A 68 -19.809 5.886 -22.945 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.199 4.511 -23.452 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -21.108 3.875 -22.918 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -19.511 4.046 -24.489 1.00 0.00 N ATOM 0 H ASN A 68 -17.739 4.057 -21.396 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.667 5.769 -22.811 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.615 6.285 -22.329 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -19.690 6.562 -23.792 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.728 3.127 -24.874 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.766 4.608 -24.900 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.761 7.075 -20.170 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.556 8.247 -19.327 1.00 0.00 C ATOM 1074 C ILE A 69 -16.261 8.966 -19.691 1.00 0.00 C ATOM 1075 O ILE A 69 -15.177 8.561 -19.272 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.518 7.867 -17.835 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.829 7.194 -17.424 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.257 9.099 -16.982 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.694 6.298 -16.213 1.00 0.00 C ATOM 0 H ILE A 69 -17.404 6.204 -19.776 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.400 8.914 -19.502 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.704 7.160 -17.675 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.573 7.963 -17.216 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.204 6.606 -18.261 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.233 8.815 -15.930 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.299 9.539 -17.261 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.051 9.828 -17.143 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.662 5.855 -15.979 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -17.974 5.507 -16.424 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.349 6.886 -15.362 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.384 10.035 -20.471 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.223 10.811 -20.890 1.00 0.00 C ATOM 1093 C GLN A 70 -14.898 11.897 -19.870 1.00 0.00 C ATOM 1094 O GLN A 70 -15.454 11.920 -18.772 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.471 11.440 -22.262 1.00 0.00 C ATOM 1096 CG GLN A 70 -15.994 10.457 -23.296 1.00 0.00 C ATOM 1097 CD GLN A 70 -16.215 11.099 -24.652 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -15.457 10.864 -25.593 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -17.258 11.914 -24.759 1.00 0.00 N ATOM 0 H GLN A 70 -17.275 10.383 -20.825 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.371 10.135 -20.958 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.186 12.256 -22.155 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.541 11.877 -22.626 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.287 9.633 -23.399 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.933 10.029 -22.943 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -17.860 12.080 -23.953 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.457 12.374 -25.647 1.00 0.00 H new ATOM 1108 N LYS A 71 -13.993 12.798 -20.240 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.593 13.888 -19.359 1.00 0.00 C ATOM 1110 C LYS A 71 -14.659 14.980 -19.327 1.00 0.00 C ATOM 1111 O LYS A 71 -14.552 15.940 -18.565 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.258 14.478 -19.817 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.338 15.206 -21.147 1.00 0.00 C ATOM 1114 CD LYS A 71 -10.963 15.631 -21.635 1.00 0.00 C ATOM 1115 CE LYS A 71 -11.056 16.481 -22.892 1.00 0.00 C ATOM 1116 NZ LYS A 71 -9.769 16.507 -23.641 1.00 0.00 N ATOM 0 H LYS A 71 -13.523 12.794 -21.145 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.479 13.485 -18.353 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.896 15.169 -19.056 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.524 13.676 -19.895 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.804 14.558 -21.890 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.976 16.084 -21.044 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.455 16.193 -20.851 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.358 14.747 -21.836 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.843 16.091 -23.537 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.340 17.498 -22.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.874 17.097 -24.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.022 16.903 -23.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.511 15.539 -23.921 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.685 14.823 -20.157 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.770 15.796 -20.221 1.00 0.00 C ATOM 1132 C GLU A 72 -18.089 15.171 -19.776 1.00 0.00 C ATOM 1133 O GLU A 72 -19.086 15.867 -19.590 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.907 16.346 -21.643 1.00 0.00 C ATOM 1135 CG GLU A 72 -15.583 16.749 -22.270 1.00 0.00 C ATOM 1136 CD GLU A 72 -15.761 17.522 -23.562 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -16.772 18.244 -23.688 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -14.888 17.405 -24.448 1.00 0.00 O ATOM 0 H GLU A 72 -15.788 14.033 -20.794 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.530 16.615 -19.543 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.382 15.592 -22.271 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.570 17.211 -21.627 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.020 17.357 -21.562 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.990 15.855 -22.464 1.00 0.00 H new ATOM 1145 N SER A 73 -18.085 13.852 -19.609 1.00 0.00 N ATOM 1146 CA SER A 73 -19.281 13.132 -19.190 1.00 0.00 C ATOM 1147 C SER A 73 -19.832 13.703 -17.887 1.00 0.00 C ATOM 1148 O SER A 73 -19.080 14.187 -17.040 1.00 0.00 O ATOM 1149 CB SER A 73 -18.972 11.643 -19.017 1.00 0.00 C ATOM 1150 OG SER A 73 -19.264 10.921 -20.200 1.00 0.00 O ATOM 0 H SER A 73 -17.267 13.261 -19.758 1.00 0.00 H new ATOM 0 HA SER A 73 -20.037 13.252 -19.967 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.921 11.514 -18.759 1.00 0.00 H new ATOM 0 HB3 SER A 73 -19.555 11.241 -18.189 1.00 0.00 H new ATOM 0 HG SER A 73 -20.061 10.369 -20.058 1.00 0.00 H new ATOM 1156 N THR A 74 -21.151 13.643 -17.732 1.00 0.00 N ATOM 1157 CA THR A 74 -21.804 14.155 -16.534 1.00 0.00 C ATOM 1158 C THR A 74 -22.216 13.019 -15.604 1.00 0.00 C ATOM 1159 O THR A 74 -22.949 12.113 -16.002 1.00 0.00 O ATOM 1160 CB THR A 74 -23.048 14.992 -16.886 1.00 0.00 C ATOM 1161 OG1 THR A 74 -22.823 15.716 -18.101 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.382 15.964 -15.764 1.00 0.00 C ATOM 0 H THR A 74 -21.788 13.245 -18.422 1.00 0.00 H new ATOM 0 HA THR A 74 -21.079 14.791 -16.027 1.00 0.00 H new ATOM 0 HB THR A 74 -23.890 14.313 -17.019 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.619 16.244 -18.319 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.264 16.544 -16.036 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.581 15.408 -14.848 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.540 16.638 -15.603 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.741 13.074 -14.365 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.061 12.049 -13.377 1.00 0.00 C ATOM 1172 C LEU A 75 -23.010 12.594 -12.315 1.00 0.00 C ATOM 1173 O LEU A 75 -23.046 13.797 -12.058 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.782 11.531 -12.717 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.209 10.234 -13.288 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.104 9.055 -12.936 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -20.038 10.344 -14.796 1.00 0.00 C ATOM 0 H LEU A 75 -21.133 13.817 -14.020 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.556 11.225 -13.892 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.019 12.306 -12.792 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.980 11.381 -11.656 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.228 10.066 -12.843 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.681 8.140 -13.351 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.175 8.963 -11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.098 9.216 -13.353 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.629 9.411 -15.185 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -21.006 10.537 -15.259 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.356 11.163 -15.026 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.777 11.699 -11.699 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.725 12.090 -10.661 1.00 0.00 C ATOM 1191 C HIS A 76 -24.585 11.196 -9.433 1.00 0.00 C ATOM 1192 O HIS A 76 -24.528 9.971 -9.547 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.155 12.022 -11.196 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.596 13.274 -11.890 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -26.197 13.607 -13.167 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -27.408 14.275 -11.478 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -26.743 14.760 -13.510 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.483 15.186 -12.502 1.00 0.00 N ATOM 0 H HIS A 76 -23.761 10.699 -11.900 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.503 13.116 -10.368 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.235 11.185 -11.889 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.834 11.817 -10.369 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -27.905 14.344 -10.521 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -26.608 15.268 -14.454 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -28.023 16.051 -12.487 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.530 11.816 -8.259 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.396 11.077 -7.009 1.00 0.00 C ATOM 1208 C LEU A 77 -25.698 11.111 -6.214 1.00 0.00 C ATOM 1209 O LEU A 77 -26.139 12.172 -5.771 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.257 11.659 -6.169 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.336 13.158 -5.878 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -23.243 13.416 -4.382 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -22.236 13.903 -6.619 1.00 0.00 C ATOM 0 H LEU A 77 -24.576 12.829 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.167 10.039 -7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.224 11.126 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.316 11.458 -6.680 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.299 13.528 -6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -23.301 14.488 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -24.066 12.913 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -22.295 13.032 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.307 14.968 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.264 13.531 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -22.348 13.744 -7.692 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.307 9.943 -6.036 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.556 9.839 -5.292 1.00 0.00 C ATOM 1227 C VAL A 78 -27.357 9.074 -3.988 1.00 0.00 C ATOM 1228 O VAL A 78 -26.680 8.045 -3.956 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.648 9.138 -6.123 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.171 10.066 -7.208 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.112 7.848 -6.725 1.00 0.00 C ATOM 0 H VAL A 78 -25.956 9.056 -6.397 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.876 10.857 -5.068 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.478 8.887 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.941 9.554 -7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.595 10.959 -6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.352 10.351 -7.869 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.896 7.366 -7.309 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.264 8.073 -7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.791 7.180 -5.926 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.950 9.583 -2.914 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.838 8.948 -1.605 1.00 0.00 C ATOM 1243 C LEU A 79 -29.118 8.196 -1.254 1.00 0.00 C ATOM 1244 O LEU A 79 -30.222 8.692 -1.478 1.00 0.00 O ATOM 1245 CB LEU A 79 -27.538 9.996 -0.532 1.00 0.00 C ATOM 1246 CG LEU A 79 -26.067 10.379 -0.360 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -25.495 10.898 -1.670 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.911 11.417 0.741 1.00 0.00 C ATOM 0 H LEU A 79 -28.513 10.433 -2.923 1.00 0.00 H new ATOM 0 HA LEU A 79 -27.017 8.232 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -28.103 10.898 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -27.910 9.626 0.423 1.00 0.00 H new ATOM 0 HG LEU A 79 -25.510 9.487 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -24.448 11.166 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.572 10.123 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -26.055 11.778 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.858 11.677 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -26.481 12.310 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -26.282 11.009 1.681 1.00 0.00 H new