USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= -0.24 K(o=-1.1,f=-4.1!) USER MOD Set 1.2: A 77 CYS SG : rot 43:sc= -0.842 USER MOD Set 1.3: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -42:sc= 1.11 USER MOD Set 2.2: A 32 THR OG1 : rot -4:sc= 0.608 USER MOD Single : A 12 MET CE :methyl 146:sc= -0.454 (180deg=-1.73!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -137:sc= 2.42 (180deg=-0.518) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.45 K(o=-1.4,f=-3.1!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.4) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 CYS SG : rot 115:sc= -0.44 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.00051) USER MOD Single : A 66 SER OG : rot 180:sc= 0.00647 USER MOD Single : A 67 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-0.51) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.255 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 11 -0.885 -0.415 -10.160 1.00 0.00 N ATOM 109 CA LEU A 11 -1.070 -1.587 -9.313 1.00 0.00 C ATOM 110 C LEU A 11 -0.382 -2.784 -9.978 1.00 0.00 C ATOM 111 O LEU A 11 0.021 -2.689 -11.143 1.00 0.00 O ATOM 112 CB LEU A 11 -2.581 -1.862 -9.189 1.00 0.00 C ATOM 113 CG LEU A 11 -3.378 -0.760 -8.463 1.00 0.00 C ATOM 114 CD1 LEU A 11 -4.879 -0.940 -8.718 1.00 0.00 C ATOM 115 CD2 LEU A 11 -3.109 -0.793 -6.963 1.00 0.00 C ATOM 0 HA LEU A 11 -0.642 -1.422 -8.324 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.996 -1.993 -10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.723 -2.804 -8.659 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.055 0.205 -8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.432 -0.156 -8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.076 -0.878 -9.788 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.197 -1.914 -8.347 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.683 -0.006 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.406 -1.762 -6.561 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.046 -0.634 -6.780 1.00 0.00 H new ATOM 127 N MET A 12 -0.316 -3.924 -9.283 1.00 0.00 N ATOM 128 CA MET A 12 0.149 -5.195 -9.825 1.00 0.00 C ATOM 129 C MET A 12 -0.928 -6.242 -9.586 1.00 0.00 C ATOM 130 O MET A 12 -1.414 -6.404 -8.471 1.00 0.00 O ATOM 131 CB MET A 12 1.482 -5.607 -9.174 1.00 0.00 C ATOM 132 CG MET A 12 2.616 -5.756 -10.195 1.00 0.00 C ATOM 133 SD MET A 12 4.283 -5.234 -9.691 1.00 0.00 S ATOM 134 CE MET A 12 4.584 -6.198 -8.187 1.00 0.00 C ATOM 0 H MET A 12 -0.593 -3.985 -8.303 1.00 0.00 H new ATOM 0 HA MET A 12 0.330 -5.100 -10.896 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.764 -4.862 -8.430 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.348 -6.551 -8.646 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.667 -6.805 -10.488 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.342 -5.189 -11.085 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.641 -6.456 -8.125 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.303 -5.608 -7.314 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.989 -7.111 -8.215 1.00 0.00 H new ATOM 144 N THR A 13 -1.278 -6.960 -10.641 1.00 0.00 N ATOM 145 CA THR A 13 -2.186 -8.104 -10.597 1.00 0.00 C ATOM 146 C THR A 13 -1.316 -9.359 -10.488 1.00 0.00 C ATOM 147 O THR A 13 -0.289 -9.448 -11.172 1.00 0.00 O ATOM 148 CB THR A 13 -3.074 -8.136 -11.856 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.615 -6.857 -12.139 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.225 -9.135 -11.731 1.00 0.00 C ATOM 0 H THR A 13 -0.931 -6.761 -11.579 1.00 0.00 H new ATOM 0 HA THR A 13 -2.861 -8.041 -9.743 1.00 0.00 H new ATOM 0 HB THR A 13 -2.423 -8.451 -12.671 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.172 -6.908 -12.944 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.821 -9.120 -12.644 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.823 -10.136 -11.577 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.853 -8.862 -10.883 1.00 0.00 H new ATOM 158 N LEU A 14 -1.689 -10.301 -9.621 1.00 0.00 N ATOM 159 CA LEU A 14 -0.996 -11.559 -9.358 1.00 0.00 C ATOM 160 C LEU A 14 -2.044 -12.642 -9.074 1.00 0.00 C ATOM 161 O LEU A 14 -3.226 -12.330 -8.928 1.00 0.00 O ATOM 162 CB LEU A 14 -0.038 -11.422 -8.167 1.00 0.00 C ATOM 163 CG LEU A 14 1.117 -10.422 -8.338 1.00 0.00 C ATOM 164 CD1 LEU A 14 1.814 -10.257 -6.991 1.00 0.00 C ATOM 165 CD2 LEU A 14 2.156 -10.877 -9.376 1.00 0.00 C ATOM 0 H LEU A 14 -2.530 -10.199 -9.053 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.401 -11.832 -10.229 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.618 -11.129 -7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.387 -12.403 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 14 0.691 -9.484 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.638 -9.550 -7.092 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.102 -9.882 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.201 -11.221 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.946 -10.130 -9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.586 -11.830 -9.067 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.674 -10.995 -10.346 1.00 0.00 H new ATOM 177 N THR A 15 -1.654 -13.916 -9.037 1.00 0.00 N ATOM 178 CA THR A 15 -2.595 -15.023 -8.897 1.00 0.00 C ATOM 179 C THR A 15 -2.044 -16.015 -7.873 1.00 0.00 C ATOM 180 O THR A 15 -0.895 -16.450 -7.988 1.00 0.00 O ATOM 181 CB THR A 15 -2.869 -15.662 -10.277 1.00 0.00 C ATOM 182 OG1 THR A 15 -2.833 -14.674 -11.296 1.00 0.00 O ATOM 183 CG2 THR A 15 -4.238 -16.344 -10.312 1.00 0.00 C ATOM 0 H THR A 15 -0.679 -14.208 -9.103 1.00 0.00 H new ATOM 0 HA THR A 15 -3.557 -14.670 -8.526 1.00 0.00 H new ATOM 0 HB THR A 15 -2.092 -16.407 -10.448 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.007 -15.093 -12.165 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.400 -16.784 -11.296 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.274 -17.127 -9.554 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.016 -15.608 -10.110 1.00 0.00 H new ATOM 191 N ILE A 16 -2.862 -16.430 -6.908 1.00 0.00 N ATOM 192 CA ILE A 16 -2.501 -17.417 -5.890 1.00 0.00 C ATOM 193 C ILE A 16 -3.442 -18.613 -5.963 1.00 0.00 C ATOM 194 O ILE A 16 -4.494 -18.530 -6.590 1.00 0.00 O ATOM 195 CB ILE A 16 -2.501 -16.792 -4.483 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.766 -15.977 -4.156 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.311 -15.867 -4.280 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.781 -15.518 -2.699 1.00 0.00 C ATOM 0 H ILE A 16 -3.816 -16.082 -6.809 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.487 -17.764 -6.090 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.455 -17.652 -3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.819 -15.108 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.650 -16.582 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.345 -15.445 -3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.386 -16.431 -4.405 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.347 -15.061 -5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.689 -14.946 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.755 -16.388 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.910 -14.892 -2.506 1.00 0.00 H new ATOM 210 N VAL A 17 -3.089 -19.712 -5.303 1.00 0.00 N ATOM 211 CA VAL A 17 -3.830 -20.962 -5.293 1.00 0.00 C ATOM 212 C VAL A 17 -4.010 -21.344 -3.830 1.00 0.00 C ATOM 213 O VAL A 17 -3.092 -21.229 -3.014 1.00 0.00 O ATOM 214 CB VAL A 17 -3.098 -22.053 -6.104 1.00 0.00 C ATOM 215 CG1 VAL A 17 -4.054 -23.218 -6.416 1.00 0.00 C ATOM 216 CG2 VAL A 17 -2.542 -21.490 -7.423 1.00 0.00 C ATOM 0 H VAL A 17 -2.241 -19.754 -4.737 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.802 -20.853 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.266 -22.411 -5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.525 -23.980 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.416 -23.651 -5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.899 -22.849 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.032 -22.283 -7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.362 -21.101 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.837 -20.687 -7.207 1.00 0.00 H new ATOM 226 N LYS A 18 -5.231 -21.715 -3.458 1.00 0.00 N ATOM 227 CA LYS A 18 -5.551 -21.960 -2.063 1.00 0.00 C ATOM 228 C LYS A 18 -5.204 -23.396 -1.701 1.00 0.00 C ATOM 229 O LYS A 18 -5.930 -24.310 -2.087 1.00 0.00 O ATOM 230 CB LYS A 18 -7.017 -21.630 -1.829 1.00 0.00 C ATOM 231 CG LYS A 18 -7.362 -21.659 -0.334 1.00 0.00 C ATOM 232 CD LYS A 18 -8.862 -21.456 -0.184 1.00 0.00 C ATOM 233 CE LYS A 18 -9.324 -21.286 1.265 1.00 0.00 C ATOM 234 NZ LYS A 18 -10.683 -21.845 1.458 1.00 0.00 N ATOM 0 H LYS A 18 -6.010 -21.851 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.959 -21.319 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.240 -20.644 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.643 -22.345 -2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.062 -22.610 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.818 -20.877 0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.158 -20.576 -0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.380 -22.309 -0.622 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.623 -21.785 1.935 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.321 -20.229 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.247 -21.193 2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.142 -21.969 0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.615 -22.766 1.937 1.00 0.00 H new ATOM 248 N GLY A 19 -4.127 -23.587 -0.945 1.00 0.00 N ATOM 249 CA GLY A 19 -3.779 -24.876 -0.365 1.00 0.00 C ATOM 250 C GLY A 19 -4.866 -25.405 0.579 1.00 0.00 C ATOM 251 O GLY A 19 -5.823 -24.706 0.929 1.00 0.00 O ATOM 0 H GLY A 19 -3.467 -22.844 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.613 -25.598 -1.164 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.840 -24.784 0.181 1.00 0.00 H new ATOM 255 N ALA A 20 -4.701 -26.656 1.016 1.00 0.00 N ATOM 256 CA ALA A 20 -5.638 -27.360 1.888 1.00 0.00 C ATOM 257 C ALA A 20 -5.819 -26.618 3.209 1.00 0.00 C ATOM 258 O ALA A 20 -6.937 -26.281 3.599 1.00 0.00 O ATOM 259 CB ALA A 20 -5.134 -28.778 2.158 1.00 0.00 C ATOM 0 H ALA A 20 -3.889 -27.220 0.765 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.603 -27.406 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.838 -29.297 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.046 -29.318 1.215 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.159 -28.731 2.642 1.00 0.00 H new ATOM 265 N GLN A 21 -4.714 -26.309 3.887 1.00 0.00 N ATOM 266 CA GLN A 21 -4.694 -25.552 5.138 1.00 0.00 C ATOM 267 C GLN A 21 -4.817 -24.043 4.852 1.00 0.00 C ATOM 268 O GLN A 21 -4.313 -23.190 5.592 1.00 0.00 O ATOM 269 CB GLN A 21 -3.456 -25.965 5.955 1.00 0.00 C ATOM 270 CG GLN A 21 -3.561 -27.458 6.316 1.00 0.00 C ATOM 271 CD GLN A 21 -2.479 -27.955 7.266 1.00 0.00 C ATOM 272 OE1 GLN A 21 -2.723 -28.132 8.460 1.00 0.00 O ATOM 273 NE2 GLN A 21 -1.289 -28.236 6.767 1.00 0.00 N ATOM 0 H GLN A 21 -3.784 -26.586 3.573 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.558 -25.787 5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.548 -25.781 5.380 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.387 -25.364 6.861 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.536 -27.642 6.767 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.519 -28.045 5.398 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.103 -28.084 5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.556 -28.605 7.373 1.00 0.00 H new ATOM 282 N GLY A 22 -5.496 -23.698 3.757 1.00 0.00 N ATOM 283 CA GLY A 22 -5.508 -22.387 3.160 1.00 0.00 C ATOM 284 C GLY A 22 -4.197 -22.154 2.416 1.00 0.00 C ATOM 285 O GLY A 22 -3.376 -23.051 2.237 1.00 0.00 O ATOM 0 H GLY A 22 -6.076 -24.366 3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.349 -22.297 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.642 -21.627 3.930 1.00 0.00 H new ATOM 289 N PHE A 23 -4.011 -20.920 1.973 1.00 0.00 N ATOM 290 CA PHE A 23 -2.930 -20.465 1.113 1.00 0.00 C ATOM 291 C PHE A 23 -1.536 -20.502 1.759 1.00 0.00 C ATOM 292 O PHE A 23 -0.566 -20.057 1.149 1.00 0.00 O ATOM 293 CB PHE A 23 -3.231 -19.018 0.739 1.00 0.00 C ATOM 294 CG PHE A 23 -4.501 -18.743 -0.024 1.00 0.00 C ATOM 295 CD1 PHE A 23 -5.701 -18.439 0.645 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.441 -18.672 -1.423 1.00 0.00 C ATOM 297 CE1 PHE A 23 -6.841 -18.090 -0.094 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.559 -18.252 -2.155 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.760 -17.949 -1.487 1.00 0.00 C ATOM 0 H PHE A 23 -4.650 -20.164 2.220 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.893 -21.145 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.258 -18.432 1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.396 -18.644 0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.744 -18.474 1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.531 -18.942 -1.938 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.782 -17.930 0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.499 -18.161 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.619 -17.608 -2.047 1.00 0.00 H new ATOM 309 N GLY A 24 -1.395 -20.913 3.018 1.00 0.00 N ATOM 310 CA GLY A 24 -0.137 -20.844 3.742 1.00 0.00 C ATOM 311 C GLY A 24 0.158 -19.419 4.201 1.00 0.00 C ATOM 312 O GLY A 24 0.262 -19.198 5.408 1.00 0.00 O ATOM 0 H GLY A 24 -2.161 -21.306 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.175 -21.507 4.607 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.673 -21.198 3.104 1.00 0.00 H new ATOM 316 N PHE A 25 0.294 -18.459 3.273 1.00 0.00 N ATOM 317 CA PHE A 25 0.625 -17.072 3.594 1.00 0.00 C ATOM 318 C PHE A 25 -0.347 -16.495 4.616 1.00 0.00 C ATOM 319 O PHE A 25 -1.517 -16.894 4.692 1.00 0.00 O ATOM 320 CB PHE A 25 0.709 -16.169 2.344 1.00 0.00 C ATOM 321 CG PHE A 25 -0.581 -15.508 1.885 1.00 0.00 C ATOM 322 CD1 PHE A 25 -1.455 -16.212 1.051 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.901 -14.185 2.245 1.00 0.00 C ATOM 324 CE1 PHE A 25 -2.665 -15.643 0.619 1.00 0.00 C ATOM 325 CE2 PHE A 25 -2.096 -13.598 1.788 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.985 -14.328 0.985 1.00 0.00 C ATOM 0 H PHE A 25 0.176 -18.630 2.274 1.00 0.00 H new ATOM 0 HA PHE A 25 1.622 -17.090 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.441 -15.385 2.540 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.096 -16.767 1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.195 -17.211 0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.228 -13.620 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.346 -16.216 0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.330 -12.579 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.909 -13.880 0.651 1.00 0.00 H new ATOM 336 N THR A 26 0.138 -15.531 5.383 1.00 0.00 N ATOM 337 CA THR A 26 -0.575 -14.888 6.465 1.00 0.00 C ATOM 338 C THR A 26 -0.699 -13.401 6.136 1.00 0.00 C ATOM 339 O THR A 26 0.077 -12.867 5.333 1.00 0.00 O ATOM 340 CB THR A 26 0.168 -15.174 7.786 1.00 0.00 C ATOM 341 OG1 THR A 26 1.528 -14.785 7.699 1.00 0.00 O ATOM 342 CG2 THR A 26 0.162 -16.667 8.136 1.00 0.00 C ATOM 0 H THR A 26 1.081 -15.163 5.259 1.00 0.00 H new ATOM 0 HA THR A 26 -1.586 -15.276 6.586 1.00 0.00 H new ATOM 0 HB THR A 26 -0.358 -14.604 8.552 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.978 -14.975 8.549 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.696 -16.823 9.073 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.867 -17.012 8.243 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.652 -17.229 7.341 1.00 0.00 H new ATOM 350 N ILE A 27 -1.657 -12.708 6.754 1.00 0.00 N ATOM 351 CA ILE A 27 -1.819 -11.267 6.589 1.00 0.00 C ATOM 352 C ILE A 27 -1.764 -10.577 7.948 1.00 0.00 C ATOM 353 O ILE A 27 -1.852 -11.213 9.000 1.00 0.00 O ATOM 354 CB ILE A 27 -3.081 -10.897 5.770 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.408 -11.280 6.454 1.00 0.00 C ATOM 356 CG2 ILE A 27 -3.006 -11.480 4.353 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.623 -10.608 5.786 1.00 0.00 C ATOM 0 H ILE A 27 -2.340 -13.132 7.382 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.984 -10.897 5.994 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.084 -9.809 5.709 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.531 -12.363 6.423 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.369 -10.993 7.505 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.904 -11.206 3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.129 -11.083 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.932 -12.566 4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.535 -10.908 6.303 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.515 -9.525 5.840 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.680 -10.915 4.742 1.00 0.00 H new ATOM 369 N ALA A 28 -1.624 -9.261 7.901 1.00 0.00 N ATOM 370 CA ALA A 28 -1.589 -8.320 8.996 1.00 0.00 C ATOM 371 C ALA A 28 -2.438 -7.105 8.609 1.00 0.00 C ATOM 372 O ALA A 28 -2.873 -6.961 7.464 1.00 0.00 O ATOM 373 CB ALA A 28 -0.130 -7.926 9.255 1.00 0.00 C ATOM 0 H ALA A 28 -1.523 -8.785 7.005 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.994 -8.753 9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.086 -7.215 10.080 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.447 -8.815 9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.288 -7.468 8.359 1.00 0.00 H new ATOM 379 N ASP A 29 -2.678 -6.240 9.584 1.00 0.00 N ATOM 380 CA ASP A 29 -3.265 -4.909 9.463 1.00 0.00 C ATOM 381 C ASP A 29 -2.119 -3.904 9.609 1.00 0.00 C ATOM 382 O ASP A 29 -1.445 -3.893 10.644 1.00 0.00 O ATOM 383 CB ASP A 29 -4.351 -4.759 10.548 1.00 0.00 C ATOM 384 CG ASP A 29 -4.355 -3.407 11.267 1.00 0.00 C ATOM 385 OD1 ASP A 29 -4.388 -2.353 10.602 1.00 0.00 O ATOM 386 OD2 ASP A 29 -4.338 -3.420 12.520 1.00 0.00 O ATOM 0 H ASP A 29 -2.451 -6.465 10.553 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.751 -4.737 8.503 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.328 -4.914 10.089 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.218 -5.548 11.288 1.00 0.00 H new ATOM 391 N SER A 30 -1.827 -3.132 8.564 1.00 0.00 N ATOM 392 CA SER A 30 -0.794 -2.100 8.546 1.00 0.00 C ATOM 393 C SER A 30 -1.485 -0.728 8.461 1.00 0.00 C ATOM 394 O SER A 30 -2.678 -0.653 8.145 1.00 0.00 O ATOM 395 CB SER A 30 0.153 -2.400 7.366 1.00 0.00 C ATOM 396 OG SER A 30 -0.444 -2.063 6.135 1.00 0.00 O ATOM 0 H SER A 30 -2.321 -3.211 7.675 1.00 0.00 H new ATOM 0 HA SER A 30 -0.186 -2.089 9.451 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.080 -1.840 7.489 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.417 -3.458 7.368 1.00 0.00 H new ATOM 0 HG SER A 30 -1.382 -2.347 6.138 1.00 0.00 H new ATOM 402 N PRO A 31 -0.743 0.376 8.651 1.00 0.00 N ATOM 403 CA PRO A 31 -1.245 1.754 8.581 1.00 0.00 C ATOM 404 C PRO A 31 -1.761 2.189 7.202 1.00 0.00 C ATOM 405 O PRO A 31 -1.971 3.378 6.965 1.00 0.00 O ATOM 406 CB PRO A 31 -0.081 2.641 9.049 1.00 0.00 C ATOM 407 CG PRO A 31 1.153 1.766 8.878 1.00 0.00 C ATOM 408 CD PRO A 31 0.628 0.376 9.126 1.00 0.00 C ATOM 0 HA PRO A 31 -2.129 1.844 9.213 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.009 3.550 8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.209 2.950 10.087 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.580 1.863 7.880 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.937 2.033 9.587 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.225 -0.367 8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 31 0.674 0.125 10.186 1.00 0.00 H new ATOM 416 N THR A 32 -1.915 1.260 6.265 1.00 0.00 N ATOM 417 CA THR A 32 -2.217 1.517 4.870 1.00 0.00 C ATOM 418 C THR A 32 -3.378 0.644 4.372 1.00 0.00 C ATOM 419 O THR A 32 -3.884 0.889 3.276 1.00 0.00 O ATOM 420 CB THR A 32 -0.913 1.322 4.070 1.00 0.00 C ATOM 421 OG1 THR A 32 -0.308 0.061 4.333 1.00 0.00 O ATOM 422 CG2 THR A 32 0.138 2.372 4.439 1.00 0.00 C ATOM 0 H THR A 32 -1.828 0.265 6.471 1.00 0.00 H new ATOM 0 HA THR A 32 -2.566 2.540 4.731 1.00 0.00 H new ATOM 0 HB THR A 32 -1.208 1.404 3.024 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.819 -0.409 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.043 2.202 3.855 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.251 3.367 4.224 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.372 2.295 5.501 1.00 0.00 H new ATOM 430 N GLY A 33 -3.793 -0.368 5.142 1.00 0.00 N ATOM 431 CA GLY A 33 -4.714 -1.414 4.723 1.00 0.00 C ATOM 432 C GLY A 33 -4.160 -2.768 5.153 1.00 0.00 C ATOM 433 O GLY A 33 -3.258 -2.846 5.989 1.00 0.00 O ATOM 0 H GLY A 33 -3.482 -0.479 6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -5.696 -1.251 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.846 -1.388 3.641 1.00 0.00 H new ATOM 437 N GLN A 34 -4.698 -3.850 4.602 1.00 0.00 N ATOM 438 CA GLN A 34 -4.179 -5.189 4.798 1.00 0.00 C ATOM 439 C GLN A 34 -2.801 -5.274 4.141 1.00 0.00 C ATOM 440 O GLN A 34 -2.612 -4.785 3.021 1.00 0.00 O ATOM 441 CB GLN A 34 -5.113 -6.190 4.107 1.00 0.00 C ATOM 442 CG GLN A 34 -6.526 -6.325 4.680 1.00 0.00 C ATOM 443 CD GLN A 34 -7.304 -5.020 4.813 1.00 0.00 C ATOM 444 OE1 GLN A 34 -7.439 -4.270 3.847 1.00 0.00 O ATOM 445 NE2 GLN A 34 -7.766 -4.713 6.015 1.00 0.00 N ATOM 0 H GLN A 34 -5.519 -3.816 3.998 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.110 -5.415 5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.198 -5.907 3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.640 -7.172 4.135 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.094 -7.004 4.045 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.458 -6.790 5.663 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.635 -5.360 6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.253 -3.829 6.164 1.00 0.00 H new ATOM 454 N ARG A 35 -1.870 -5.978 4.782 1.00 0.00 N ATOM 455 CA ARG A 35 -0.619 -6.395 4.161 1.00 0.00 C ATOM 456 C ARG A 35 -0.398 -7.862 4.405 1.00 0.00 C ATOM 457 O ARG A 35 -0.953 -8.450 5.328 1.00 0.00 O ATOM 458 CB ARG A 35 0.577 -5.616 4.715 1.00 0.00 C ATOM 459 CG ARG A 35 0.791 -4.282 4.009 1.00 0.00 C ATOM 460 CD ARG A 35 2.054 -3.655 4.597 1.00 0.00 C ATOM 461 NE ARG A 35 2.132 -2.218 4.313 1.00 0.00 N ATOM 462 CZ ARG A 35 2.862 -1.345 5.007 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.884 -1.761 5.750 1.00 0.00 N ATOM 464 NH2 ARG A 35 2.519 -0.067 4.972 1.00 0.00 N ATOM 0 H ARG A 35 -1.965 -6.276 5.753 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.698 -6.192 3.093 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.427 -5.438 5.780 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.477 -6.223 4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.899 -4.429 2.934 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.068 -3.627 4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.070 -3.814 5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.932 -4.155 4.188 1.00 0.00 H new ATOM 0 HE ARG A 35 1.588 -1.861 3.527 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.114 -2.754 5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.438 -1.087 6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.712 0.230 4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.061 0.621 5.494 1.00 0.00 H new ATOM 478 N VAL A 36 0.491 -8.431 3.615 1.00 0.00 N ATOM 479 CA VAL A 36 1.021 -9.762 3.827 1.00 0.00 C ATOM 480 C VAL A 36 1.938 -9.693 5.047 1.00 0.00 C ATOM 481 O VAL A 36 2.713 -8.745 5.206 1.00 0.00 O ATOM 482 CB VAL A 36 1.746 -10.178 2.541 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.415 -11.556 2.658 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.781 -10.182 1.349 1.00 0.00 C ATOM 0 H VAL A 36 0.873 -7.970 2.789 1.00 0.00 H new ATOM 0 HA VAL A 36 0.256 -10.512 4.029 1.00 0.00 H new ATOM 0 HB VAL A 36 2.530 -9.439 2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.913 -11.800 1.719 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.149 -11.537 3.464 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.659 -12.311 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.317 -10.480 0.448 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.029 -10.886 1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.368 -9.183 1.212 1.00 0.00 H new ATOM 494 N LYS A 37 1.859 -10.701 5.911 1.00 0.00 N ATOM 495 CA LYS A 37 2.715 -10.853 7.080 1.00 0.00 C ATOM 496 C LYS A 37 3.918 -11.723 6.719 1.00 0.00 C ATOM 497 O LYS A 37 5.046 -11.361 7.053 1.00 0.00 O ATOM 498 CB LYS A 37 1.860 -11.428 8.222 1.00 0.00 C ATOM 499 CG LYS A 37 2.680 -11.975 9.402 1.00 0.00 C ATOM 500 CD LYS A 37 1.774 -12.607 10.466 1.00 0.00 C ATOM 501 CE LYS A 37 2.556 -12.786 11.770 1.00 0.00 C ATOM 502 NZ LYS A 37 1.810 -13.569 12.775 1.00 0.00 N ATOM 0 H LYS A 37 1.179 -11.455 5.813 1.00 0.00 H new ATOM 0 HA LYS A 37 3.120 -9.899 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.190 -10.650 8.588 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.234 -12.228 7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.391 -12.717 9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.261 -11.168 9.849 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.903 -11.975 10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.405 -13.571 10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.502 -13.283 11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.796 -11.806 12.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.383 -13.661 13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.918 -13.084 13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.603 -14.514 12.395 1.00 0.00 H new ATOM 516 N GLN A 38 3.689 -12.867 6.078 1.00 0.00 N ATOM 517 CA GLN A 38 4.695 -13.843 5.677 1.00 0.00 C ATOM 518 C GLN A 38 4.056 -14.724 4.607 1.00 0.00 C ATOM 519 O GLN A 38 2.828 -14.832 4.566 1.00 0.00 O ATOM 520 CB GLN A 38 5.091 -14.658 6.922 1.00 0.00 C ATOM 521 CG GLN A 38 5.898 -15.924 6.644 1.00 0.00 C ATOM 522 CD GLN A 38 6.569 -16.482 7.894 1.00 0.00 C ATOM 523 OE1 GLN A 38 6.066 -16.336 9.008 1.00 0.00 O ATOM 524 NE2 GLN A 38 7.706 -17.132 7.742 1.00 0.00 N ATOM 0 H GLN A 38 2.746 -13.151 5.811 1.00 0.00 H new ATOM 0 HA GLN A 38 5.595 -13.381 5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.670 -14.017 7.587 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.183 -14.936 7.458 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.240 -16.683 6.220 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.659 -15.707 5.894 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.109 -17.244 6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.183 -17.523 8.555 1.00 0.00 H new ATOM 533 N ILE A 39 4.868 -15.396 3.793 1.00 0.00 N ATOM 534 CA ILE A 39 4.426 -16.426 2.865 1.00 0.00 C ATOM 535 C ILE A 39 5.065 -17.738 3.340 1.00 0.00 C ATOM 536 O ILE A 39 6.206 -17.748 3.802 1.00 0.00 O ATOM 537 CB ILE A 39 4.768 -16.007 1.417 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.062 -14.671 1.056 1.00 0.00 C ATOM 539 CG2 ILE A 39 4.345 -17.108 0.424 1.00 0.00 C ATOM 540 CD1 ILE A 39 4.382 -14.166 -0.349 1.00 0.00 C ATOM 0 H ILE A 39 5.874 -15.233 3.762 1.00 0.00 H new ATOM 0 HA ILE A 39 3.345 -16.568 2.853 1.00 0.00 H new ATOM 0 HB ILE A 39 5.847 -15.865 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.984 -14.804 1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.352 -13.910 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.593 -16.797 -0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.872 -18.032 0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.270 -17.274 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.853 -13.230 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.455 -14.000 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.066 -14.907 -1.083 1.00 0.00 H new ATOM 552 N LEU A 40 4.305 -18.837 3.280 1.00 0.00 N ATOM 553 CA LEU A 40 4.727 -20.158 3.751 1.00 0.00 C ATOM 554 C LEU A 40 4.612 -21.136 2.590 1.00 0.00 C ATOM 555 O LEU A 40 5.581 -21.801 2.224 1.00 0.00 O ATOM 556 CB LEU A 40 3.878 -20.643 4.946 1.00 0.00 C ATOM 557 CG LEU A 40 3.737 -19.659 6.122 1.00 0.00 C ATOM 558 CD1 LEU A 40 2.788 -20.240 7.175 1.00 0.00 C ATOM 559 CD2 LEU A 40 5.063 -19.329 6.814 1.00 0.00 C ATOM 0 H LEU A 40 3.361 -18.831 2.895 1.00 0.00 H new ATOM 0 HA LEU A 40 5.757 -20.096 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.880 -20.887 4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.314 -21.568 5.323 1.00 0.00 H new ATOM 0 HG LEU A 40 3.349 -18.736 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.692 -19.539 8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.808 -20.409 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.187 -21.185 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.883 -18.631 7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.505 -20.244 7.209 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.746 -18.877 6.095 1.00 0.00 H new ATOM 571 N ASP A 41 3.428 -21.216 1.978 1.00 0.00 N ATOM 572 CA ASP A 41 3.236 -21.959 0.742 1.00 0.00 C ATOM 573 C ASP A 41 3.548 -21.025 -0.425 1.00 0.00 C ATOM 574 O ASP A 41 2.658 -20.426 -1.026 1.00 0.00 O ATOM 575 CB ASP A 41 1.840 -22.577 0.661 1.00 0.00 C ATOM 576 CG ASP A 41 1.728 -23.552 -0.512 1.00 0.00 C ATOM 577 OD1 ASP A 41 2.722 -23.736 -1.251 1.00 0.00 O ATOM 578 OD2 ASP A 41 0.660 -24.200 -0.602 1.00 0.00 O ATOM 0 H ASP A 41 2.582 -20.767 2.328 1.00 0.00 H new ATOM 0 HA ASP A 41 3.918 -22.808 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.617 -23.098 1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.097 -21.787 0.552 1.00 0.00 H new ATOM 583 N ILE A 42 4.843 -20.828 -0.665 1.00 0.00 N ATOM 584 CA ILE A 42 5.389 -19.958 -1.700 1.00 0.00 C ATOM 585 C ILE A 42 4.934 -20.476 -3.065 1.00 0.00 C ATOM 586 O ILE A 42 4.352 -19.725 -3.844 1.00 0.00 O ATOM 587 CB ILE A 42 6.925 -19.909 -1.536 1.00 0.00 C ATOM 588 CG1 ILE A 42 7.302 -19.229 -0.197 1.00 0.00 C ATOM 589 CG2 ILE A 42 7.611 -19.192 -2.709 1.00 0.00 C ATOM 590 CD1 ILE A 42 8.690 -19.643 0.285 1.00 0.00 C ATOM 0 H ILE A 42 5.570 -21.291 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 42 5.024 -18.934 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 42 7.283 -20.939 -1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.269 -18.146 -0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.563 -19.488 0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 42 8.689 -19.182 -2.549 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.386 -19.717 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.245 -18.167 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.912 -19.142 1.227 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.717 -20.723 0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.433 -19.360 -0.460 1.00 0.00 H new ATOM 602 N GLN A 43 5.142 -21.768 -3.327 1.00 0.00 N ATOM 603 CA GLN A 43 4.703 -22.434 -4.546 1.00 0.00 C ATOM 604 C GLN A 43 3.186 -22.320 -4.762 1.00 0.00 C ATOM 605 O GLN A 43 2.750 -22.229 -5.908 1.00 0.00 O ATOM 606 CB GLN A 43 5.129 -23.910 -4.480 1.00 0.00 C ATOM 607 CG GLN A 43 6.473 -24.216 -5.160 1.00 0.00 C ATOM 608 CD GLN A 43 6.398 -25.509 -5.968 1.00 0.00 C ATOM 609 OE1 GLN A 43 6.377 -26.611 -5.421 1.00 0.00 O ATOM 610 NE2 GLN A 43 6.366 -25.406 -7.284 1.00 0.00 N ATOM 0 H GLN A 43 5.630 -22.389 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 43 5.174 -21.941 -5.397 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.188 -24.212 -3.434 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.354 -24.520 -4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.749 -23.390 -5.815 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.255 -24.300 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.384 -24.486 -7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.323 -26.246 -7.860 1.00 0.00 H new ATOM 619 N GLY A 44 2.374 -22.343 -3.702 1.00 0.00 N ATOM 620 CA GLY A 44 0.934 -22.145 -3.801 1.00 0.00 C ATOM 621 C GLY A 44 0.568 -20.675 -4.008 1.00 0.00 C ATOM 622 O GLY A 44 -0.486 -20.380 -4.569 1.00 0.00 O ATOM 0 H GLY A 44 2.703 -22.500 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.544 -22.735 -4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.455 -22.513 -2.894 1.00 0.00 H new ATOM 626 N CYS A 45 1.428 -19.732 -3.615 1.00 0.00 N ATOM 627 CA CYS A 45 1.208 -18.297 -3.764 1.00 0.00 C ATOM 628 C CYS A 45 2.291 -17.668 -4.653 1.00 0.00 C ATOM 629 O CYS A 45 3.017 -16.784 -4.182 1.00 0.00 O ATOM 630 CB CYS A 45 1.144 -17.638 -2.383 1.00 0.00 C ATOM 631 SG CYS A 45 -0.246 -18.354 -1.483 1.00 0.00 S ATOM 0 H CYS A 45 2.320 -19.955 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 45 0.253 -18.129 -4.262 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.074 -17.802 -1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.019 -16.560 -2.481 1.00 0.00 H new ATOM 0 HG CYS A 45 0.197 -19.014 -0.454 1.00 0.00 H new ATOM 637 N PRO A 46 2.425 -18.091 -5.920 1.00 0.00 N ATOM 638 CA PRO A 46 3.570 -17.745 -6.746 1.00 0.00 C ATOM 639 C PRO A 46 3.589 -16.248 -7.043 1.00 0.00 C ATOM 640 O PRO A 46 2.548 -15.644 -7.317 1.00 0.00 O ATOM 641 CB PRO A 46 3.409 -18.570 -8.022 1.00 0.00 C ATOM 642 CG PRO A 46 1.901 -18.766 -8.131 1.00 0.00 C ATOM 643 CD PRO A 46 1.491 -18.914 -6.672 1.00 0.00 C ATOM 0 HA PRO A 46 4.516 -17.963 -6.250 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.810 -18.048 -8.891 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.934 -19.523 -7.953 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.413 -17.915 -8.607 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.646 -19.649 -8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.464 -18.583 -6.518 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.542 -19.955 -6.354 1.00 0.00 H new ATOM 651 N GLY A 47 4.770 -15.635 -6.990 1.00 0.00 N ATOM 652 CA GLY A 47 4.943 -14.226 -7.308 1.00 0.00 C ATOM 653 C GLY A 47 4.488 -13.281 -6.198 1.00 0.00 C ATOM 654 O GLY A 47 4.741 -12.080 -6.306 1.00 0.00 O ATOM 0 H GLY A 47 5.634 -16.106 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.995 -14.039 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.386 -13.998 -8.217 1.00 0.00 H new ATOM 658 N LEU A 48 3.821 -13.779 -5.151 1.00 0.00 N ATOM 659 CA LEU A 48 3.393 -12.970 -4.015 1.00 0.00 C ATOM 660 C LEU A 48 4.622 -12.628 -3.163 1.00 0.00 C ATOM 661 O LEU A 48 5.522 -13.471 -3.055 1.00 0.00 O ATOM 662 CB LEU A 48 2.291 -13.736 -3.251 1.00 0.00 C ATOM 663 CG LEU A 48 1.304 -12.839 -2.483 1.00 0.00 C ATOM 664 CD1 LEU A 48 -0.032 -13.555 -2.327 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.590 -12.394 -1.077 1.00 0.00 C ATOM 0 H LEU A 48 3.563 -14.763 -5.072 1.00 0.00 H new ATOM 0 HA LEU A 48 2.956 -12.021 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.731 -14.345 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.764 -14.420 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 48 1.357 -11.952 -3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.726 -12.915 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.442 -13.780 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.115 -14.483 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.771 -11.770 -0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.690 -13.267 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.517 -11.821 -1.058 1.00 0.00 H new ATOM 677 N CYS A 49 4.666 -11.446 -2.538 1.00 0.00 N ATOM 678 CA CYS A 49 5.763 -10.998 -1.674 1.00 0.00 C ATOM 679 C CYS A 49 5.263 -10.522 -0.304 1.00 0.00 C ATOM 680 O CYS A 49 4.089 -10.216 -0.096 1.00 0.00 O ATOM 681 CB CYS A 49 6.546 -9.869 -2.356 1.00 0.00 C ATOM 682 SG CYS A 49 7.379 -10.466 -3.852 1.00 0.00 S ATOM 0 H CYS A 49 3.919 -10.756 -2.622 1.00 0.00 H new ATOM 0 HA CYS A 49 6.415 -11.856 -1.511 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.868 -9.055 -2.613 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.283 -9.463 -1.663 1.00 0.00 H new ATOM 0 HG CYS A 49 8.030 -9.487 -4.406 1.00 0.00 H new ATOM 688 N GLU A 50 6.180 -10.451 0.657 1.00 0.00 N ATOM 689 CA GLU A 50 5.882 -10.053 2.028 1.00 0.00 C ATOM 690 C GLU A 50 5.558 -8.562 2.076 1.00 0.00 C ATOM 691 O GLU A 50 6.145 -7.780 1.332 1.00 0.00 O ATOM 692 CB GLU A 50 7.100 -10.332 2.913 1.00 0.00 C ATOM 693 CG GLU A 50 7.380 -11.830 3.048 1.00 0.00 C ATOM 694 CD GLU A 50 8.790 -12.092 3.574 1.00 0.00 C ATOM 695 OE1 GLU A 50 9.750 -11.745 2.846 1.00 0.00 O ATOM 696 OE2 GLU A 50 8.898 -12.710 4.658 1.00 0.00 O ATOM 0 H GLU A 50 7.164 -10.671 0.502 1.00 0.00 H new ATOM 0 HA GLU A 50 5.024 -10.621 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.975 -9.836 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.935 -9.904 3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.650 -12.278 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.257 -12.313 2.079 1.00 0.00 H new ATOM 703 N GLY A 51 4.706 -8.128 3.007 1.00 0.00 N ATOM 704 CA GLY A 51 4.384 -6.717 3.180 1.00 0.00 C ATOM 705 C GLY A 51 3.657 -6.097 1.988 1.00 0.00 C ATOM 706 O GLY A 51 3.624 -4.873 1.871 1.00 0.00 O ATOM 0 H GLY A 51 4.223 -8.746 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.765 -6.602 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.306 -6.163 3.359 1.00 0.00 H new ATOM 710 N ASP A 52 3.133 -6.896 1.060 1.00 0.00 N ATOM 711 CA ASP A 52 2.433 -6.395 -0.120 1.00 0.00 C ATOM 712 C ASP A 52 1.039 -5.960 0.299 1.00 0.00 C ATOM 713 O ASP A 52 0.360 -6.689 1.026 1.00 0.00 O ATOM 714 CB ASP A 52 2.440 -7.454 -1.233 1.00 0.00 C ATOM 715 CG ASP A 52 3.724 -7.327 -2.056 1.00 0.00 C ATOM 716 OD1 ASP A 52 4.796 -6.988 -1.502 1.00 0.00 O ATOM 717 OD2 ASP A 52 3.661 -7.491 -3.288 1.00 0.00 O ATOM 0 H ASP A 52 3.183 -7.914 1.106 1.00 0.00 H new ATOM 0 HA ASP A 52 2.939 -5.525 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.371 -8.452 -0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.570 -7.325 -1.876 1.00 0.00 H new ATOM 722 N LEU A 53 0.650 -4.739 -0.082 1.00 0.00 N ATOM 723 CA LEU A 53 -0.647 -4.167 0.264 1.00 0.00 C ATOM 724 C LEU A 53 -1.717 -4.788 -0.620 1.00 0.00 C ATOM 725 O LEU A 53 -1.544 -4.822 -1.834 1.00 0.00 O ATOM 726 CB LEU A 53 -0.669 -2.653 0.022 1.00 0.00 C ATOM 727 CG LEU A 53 -1.935 -2.039 0.659 1.00 0.00 C ATOM 728 CD1 LEU A 53 -1.625 -1.566 2.073 1.00 0.00 C ATOM 729 CD2 LEU A 53 -2.462 -0.891 -0.191 1.00 0.00 C ATOM 0 H LEU A 53 1.234 -4.119 -0.643 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.832 -4.369 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.223 -2.194 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.653 -2.446 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.711 -2.803 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.522 -1.134 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.293 -2.412 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.837 -0.813 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.354 -0.473 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.698 -0.118 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.712 -1.260 -1.186 1.00 0.00 H new ATOM 741 N ILE A 54 -2.832 -5.209 -0.040 1.00 0.00 N ATOM 742 CA ILE A 54 -3.910 -5.902 -0.730 1.00 0.00 C ATOM 743 C ILE A 54 -4.979 -4.887 -1.147 1.00 0.00 C ATOM 744 O ILE A 54 -5.482 -4.140 -0.303 1.00 0.00 O ATOM 745 CB ILE A 54 -4.413 -6.991 0.241 1.00 0.00 C ATOM 746 CG1 ILE A 54 -3.311 -8.061 0.442 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.745 -7.652 -0.135 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.306 -8.681 1.843 1.00 0.00 C ATOM 0 H ILE A 54 -3.017 -5.073 0.954 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.595 -6.384 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.625 -6.469 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.446 -8.852 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.338 -7.609 0.251 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.004 -8.400 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.528 -6.895 -0.177 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.651 -8.131 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.509 -9.421 1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.141 -7.901 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.265 -9.163 2.031 1.00 0.00 H new ATOM 760 N VAL A 55 -5.329 -4.864 -2.438 1.00 0.00 N ATOM 761 CA VAL A 55 -6.297 -3.938 -3.025 1.00 0.00 C ATOM 762 C VAL A 55 -7.542 -4.682 -3.487 1.00 0.00 C ATOM 763 O VAL A 55 -8.643 -4.295 -3.087 1.00 0.00 O ATOM 764 CB VAL A 55 -5.660 -3.119 -4.165 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.714 -2.229 -4.844 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.508 -2.268 -3.617 1.00 0.00 C ATOM 0 H VAL A 55 -4.933 -5.510 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.605 -3.230 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.264 -3.806 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.246 -1.658 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.506 -2.854 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.138 -1.543 -4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.063 -1.692 -4.429 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.889 -1.587 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.752 -2.919 -3.177 1.00 0.00 H new ATOM 776 N GLU A 56 -7.378 -5.740 -4.283 1.00 0.00 N ATOM 777 CA GLU A 56 -8.466 -6.625 -4.675 1.00 0.00 C ATOM 778 C GLU A 56 -8.129 -8.053 -4.277 1.00 0.00 C ATOM 779 O GLU A 56 -6.958 -8.452 -4.230 1.00 0.00 O ATOM 780 CB GLU A 56 -8.760 -6.586 -6.184 1.00 0.00 C ATOM 781 CG GLU A 56 -9.763 -5.515 -6.610 1.00 0.00 C ATOM 782 CD GLU A 56 -10.601 -5.981 -7.801 1.00 0.00 C ATOM 783 OE1 GLU A 56 -10.088 -6.757 -8.636 1.00 0.00 O ATOM 784 OE2 GLU A 56 -11.797 -5.619 -7.876 1.00 0.00 O ATOM 0 H GLU A 56 -6.475 -6.006 -4.676 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.359 -6.273 -4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.824 -6.422 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.137 -7.561 -6.493 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.419 -5.274 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.232 -4.600 -6.872 1.00 0.00 H new ATOM 791 N ILE A 57 -9.192 -8.821 -4.062 1.00 0.00 N ATOM 792 CA ILE A 57 -9.245 -10.273 -4.034 1.00 0.00 C ATOM 793 C ILE A 57 -10.456 -10.591 -4.911 1.00 0.00 C ATOM 794 O ILE A 57 -11.481 -9.940 -4.741 1.00 0.00 O ATOM 795 CB ILE A 57 -9.438 -10.791 -2.595 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.229 -10.419 -1.712 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.650 -12.321 -2.584 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.605 -10.435 -0.237 1.00 0.00 C ATOM 0 H ILE A 57 -10.109 -8.409 -3.890 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.329 -10.746 -4.388 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.329 -10.314 -2.186 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.414 -11.120 -1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.864 -9.429 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.784 -12.662 -1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.536 -12.570 -3.168 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.780 -12.812 -3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.735 -10.169 0.363 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.403 -9.715 -0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.946 -11.432 0.041 1.00 0.00 H new ATOM 810 N ASN A 58 -10.355 -11.560 -5.820 1.00 0.00 N ATOM 811 CA ASN A 58 -11.433 -12.082 -6.670 1.00 0.00 C ATOM 812 C ASN A 58 -12.435 -11.011 -7.127 1.00 0.00 C ATOM 813 O ASN A 58 -13.639 -11.137 -6.899 1.00 0.00 O ATOM 814 CB ASN A 58 -12.144 -13.268 -5.987 1.00 0.00 C ATOM 815 CG ASN A 58 -11.294 -14.524 -5.922 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.489 -14.801 -6.811 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.449 -15.321 -4.883 1.00 0.00 N ATOM 0 H ASN A 58 -9.468 -12.032 -5.996 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.955 -12.439 -7.582 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.428 -12.978 -4.976 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.065 -13.489 -6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.899 -16.177 -4.810 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.119 -15.082 -4.152 1.00 0.00 H new ATOM 824 N GLN A 59 -11.935 -9.964 -7.797 1.00 0.00 N ATOM 825 CA GLN A 59 -12.746 -8.929 -8.444 1.00 0.00 C ATOM 826 C GLN A 59 -13.673 -8.194 -7.460 1.00 0.00 C ATOM 827 O GLN A 59 -14.715 -7.644 -7.838 1.00 0.00 O ATOM 828 CB GLN A 59 -13.463 -9.499 -9.683 1.00 0.00 C ATOM 829 CG GLN A 59 -12.514 -10.313 -10.581 1.00 0.00 C ATOM 830 CD GLN A 59 -13.079 -10.466 -11.983 1.00 0.00 C ATOM 831 OE1 GLN A 59 -12.731 -9.700 -12.879 1.00 0.00 O ATOM 832 NE2 GLN A 59 -13.934 -11.444 -12.225 1.00 0.00 N ATOM 0 H GLN A 59 -10.932 -9.812 -7.905 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.076 -8.149 -8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.290 -10.133 -9.363 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.894 -8.681 -10.260 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.543 -9.820 -10.629 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.350 -11.298 -10.143 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -14.215 -12.073 -11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -14.313 -11.570 -13.164 1.00 0.00 H new ATOM 841 N GLN A 60 -13.298 -8.192 -6.180 1.00 0.00 N ATOM 842 CA GLN A 60 -13.920 -7.508 -5.078 1.00 0.00 C ATOM 843 C GLN A 60 -12.890 -6.515 -4.554 1.00 0.00 C ATOM 844 O GLN A 60 -11.778 -6.898 -4.179 1.00 0.00 O ATOM 845 CB GLN A 60 -14.396 -8.551 -4.061 1.00 0.00 C ATOM 846 CG GLN A 60 -14.980 -7.937 -2.793 1.00 0.00 C ATOM 847 CD GLN A 60 -15.930 -8.916 -2.097 1.00 0.00 C ATOM 848 OE1 GLN A 60 -17.081 -8.585 -1.832 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.485 -10.132 -1.818 1.00 0.00 N ATOM 0 H GLN A 60 -12.479 -8.719 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.813 -6.944 -5.348 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.148 -9.186 -4.528 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.558 -9.194 -3.792 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.174 -7.662 -2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.515 -7.020 -3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.524 -10.388 -2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.103 -10.812 -1.375 1.00 0.00 H new ATOM 858 N ASN A 61 -13.247 -5.229 -4.574 1.00 0.00 N ATOM 859 CA ASN A 61 -12.429 -4.170 -3.999 1.00 0.00 C ATOM 860 C ASN A 61 -12.385 -4.389 -2.494 1.00 0.00 C ATOM 861 O ASN A 61 -13.437 -4.507 -1.861 1.00 0.00 O ATOM 862 CB ASN A 61 -12.998 -2.786 -4.345 1.00 0.00 C ATOM 863 CG ASN A 61 -11.900 -1.738 -4.512 1.00 0.00 C ATOM 864 OD1 ASN A 61 -11.763 -1.141 -5.576 1.00 0.00 O ATOM 865 ND2 ASN A 61 -11.085 -1.474 -3.501 1.00 0.00 N ATOM 0 H ASN A 61 -14.116 -4.896 -4.992 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.420 -4.204 -4.411 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.578 -2.853 -5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.684 -2.470 -3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.348 -0.777 -3.609 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.195 -1.967 -2.615 1.00 0.00 H new ATOM 872 N VAL A 62 -11.189 -4.456 -1.913 1.00 0.00 N ATOM 873 CA VAL A 62 -11.017 -4.727 -0.491 1.00 0.00 C ATOM 874 C VAL A 62 -10.166 -3.681 0.230 1.00 0.00 C ATOM 875 O VAL A 62 -10.113 -3.721 1.453 1.00 0.00 O ATOM 876 CB VAL A 62 -10.543 -6.168 -0.237 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.540 -7.221 -0.743 1.00 0.00 C ATOM 878 CG2 VAL A 62 -9.161 -6.491 -0.811 1.00 0.00 C ATOM 0 H VAL A 62 -10.312 -4.324 -2.417 1.00 0.00 H new ATOM 0 HA VAL A 62 -12.006 -4.638 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 62 -10.475 -6.218 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.152 -8.218 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.496 -7.091 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.681 -7.102 -1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.906 -7.527 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.173 -6.347 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.418 -5.830 -0.365 1.00 0.00 H new ATOM 888 N GLN A 63 -9.599 -2.674 -0.453 1.00 0.00 N ATOM 889 CA GLN A 63 -8.961 -1.528 0.192 1.00 0.00 C ATOM 890 C GLN A 63 -9.785 -0.789 1.257 1.00 0.00 C ATOM 891 O GLN A 63 -9.214 0.075 1.924 1.00 0.00 O ATOM 892 CB GLN A 63 -8.513 -0.546 -0.901 1.00 0.00 C ATOM 893 CG GLN A 63 -7.005 -0.608 -1.118 1.00 0.00 C ATOM 894 CD GLN A 63 -6.251 0.387 -0.230 1.00 0.00 C ATOM 895 OE1 GLN A 63 -6.064 1.553 -0.587 1.00 0.00 O ATOM 896 NE2 GLN A 63 -5.841 -0.032 0.954 1.00 0.00 N ATOM 0 H GLN A 63 -9.573 -2.637 -1.472 1.00 0.00 H new ATOM 0 HA GLN A 63 -8.125 -1.941 0.756 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.027 -0.778 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -8.801 0.468 -0.622 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.651 -1.618 -0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.781 -0.400 -2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.002 -0.999 1.237 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.363 0.611 1.585 1.00 0.00 H new ATOM 905 N ASN A 64 -11.081 -1.066 1.418 1.00 0.00 N ATOM 906 CA ASN A 64 -11.932 -0.432 2.423 1.00 0.00 C ATOM 907 C ASN A 64 -12.350 -1.409 3.529 1.00 0.00 C ATOM 908 O ASN A 64 -12.957 -0.991 4.510 1.00 0.00 O ATOM 909 CB ASN A 64 -13.170 0.176 1.736 1.00 0.00 C ATOM 910 CG ASN A 64 -13.448 1.590 2.229 1.00 0.00 C ATOM 911 OD1 ASN A 64 -13.330 1.897 3.408 1.00 0.00 O ATOM 912 ND2 ASN A 64 -13.823 2.497 1.344 1.00 0.00 N ATOM 0 H ASN A 64 -11.575 -1.749 0.843 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.355 0.358 2.905 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.018 0.190 0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.039 -0.454 1.927 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.014 3.453 1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.921 2.241 0.362 1.00 0.00 H new ATOM 919 N LEU A 65 -12.061 -2.707 3.383 1.00 0.00 N ATOM 920 CA LEU A 65 -12.544 -3.748 4.287 1.00 0.00 C ATOM 921 C LEU A 65 -11.753 -3.780 5.590 1.00 0.00 C ATOM 922 O LEU A 65 -10.593 -3.356 5.632 1.00 0.00 O ATOM 923 CB LEU A 65 -12.490 -5.115 3.596 1.00 0.00 C ATOM 924 CG LEU A 65 -13.638 -5.392 2.608 1.00 0.00 C ATOM 925 CD1 LEU A 65 -13.563 -6.853 2.162 1.00 0.00 C ATOM 926 CD2 LEU A 65 -15.031 -5.162 3.201 1.00 0.00 C ATOM 0 H LEU A 65 -11.479 -3.064 2.625 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.578 -3.514 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.543 -5.198 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.494 -5.892 4.361 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.509 -4.692 1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.372 -7.062 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.605 -7.036 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.659 -7.504 3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.788 -5.377 2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -15.175 -5.821 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -15.123 -4.124 3.522 1.00 0.00 H new ATOM 938 N SER A 66 -12.355 -4.355 6.636 1.00 0.00 N ATOM 939 CA SER A 66 -11.629 -4.734 7.840 1.00 0.00 C ATOM 940 C SER A 66 -10.758 -5.946 7.508 1.00 0.00 C ATOM 941 O SER A 66 -11.183 -6.789 6.722 1.00 0.00 O ATOM 942 CB SER A 66 -12.606 -5.100 8.967 1.00 0.00 C ATOM 943 OG SER A 66 -13.832 -4.402 8.935 1.00 0.00 O ATOM 0 H SER A 66 -13.352 -4.567 6.667 1.00 0.00 H new ATOM 0 HA SER A 66 -11.016 -3.898 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.811 -6.169 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.121 -4.912 9.925 1.00 0.00 H new ATOM 0 HG SER A 66 -14.394 -4.694 9.683 1.00 0.00 H new ATOM 949 N HIS A 67 -9.595 -6.104 8.150 1.00 0.00 N ATOM 950 CA HIS A 67 -8.715 -7.284 8.044 1.00 0.00 C ATOM 951 C HIS A 67 -9.459 -8.601 8.372 1.00 0.00 C ATOM 952 O HIS A 67 -9.053 -9.653 7.893 1.00 0.00 O ATOM 953 CB HIS A 67 -7.505 -7.018 8.960 1.00 0.00 C ATOM 954 CG HIS A 67 -6.747 -8.239 9.423 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.481 -8.597 9.020 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.191 -9.191 10.306 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.169 -9.741 9.648 1.00 0.00 C ATOM 958 NE2 HIS A 67 -6.163 -10.127 10.466 1.00 0.00 N ATOM 0 H HIS A 67 -9.224 -5.393 8.780 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.374 -7.426 7.018 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.812 -6.362 8.433 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -7.852 -6.475 9.839 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.157 -9.214 10.789 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.243 -10.280 9.514 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.167 -10.941 11.081 1.00 0.00 H new ATOM 966 N THR A 68 -10.561 -8.593 9.117 1.00 0.00 N ATOM 967 CA THR A 68 -11.347 -9.796 9.369 1.00 0.00 C ATOM 968 C THR A 68 -12.271 -10.165 8.189 1.00 0.00 C ATOM 969 O THR A 68 -12.744 -11.296 8.099 1.00 0.00 O ATOM 970 CB THR A 68 -12.106 -9.563 10.687 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.246 -9.014 11.677 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.575 -10.880 11.280 1.00 0.00 C ATOM 0 H THR A 68 -10.933 -7.754 9.562 1.00 0.00 H new ATOM 0 HA THR A 68 -10.695 -10.664 9.464 1.00 0.00 H new ATOM 0 HB THR A 68 -12.935 -8.898 10.445 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.750 -8.872 12.506 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.109 -10.690 12.211 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.240 -11.380 10.576 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.713 -11.517 11.479 1.00 0.00 H new ATOM 980 N GLU A 69 -12.542 -9.248 7.264 1.00 0.00 N ATOM 981 CA GLU A 69 -13.505 -9.434 6.177 1.00 0.00 C ATOM 982 C GLU A 69 -12.774 -10.088 5.000 1.00 0.00 C ATOM 983 O GLU A 69 -13.150 -11.146 4.527 1.00 0.00 O ATOM 984 CB GLU A 69 -14.104 -8.066 5.816 1.00 0.00 C ATOM 985 CG GLU A 69 -14.737 -7.318 6.999 1.00 0.00 C ATOM 986 CD GLU A 69 -16.155 -7.766 7.335 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.310 -8.900 7.853 1.00 0.00 O ATOM 988 OE2 GLU A 69 -17.095 -6.944 7.210 1.00 0.00 O ATOM 0 H GLU A 69 -12.089 -8.334 7.247 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.329 -10.087 6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.321 -7.442 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.861 -8.207 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.107 -7.453 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.748 -6.251 6.776 1.00 0.00 H new ATOM 995 N VAL A 70 -11.648 -9.510 4.600 1.00 0.00 N ATOM 996 CA VAL A 70 -10.583 -9.975 3.729 1.00 0.00 C ATOM 997 C VAL A 70 -10.083 -11.374 4.099 1.00 0.00 C ATOM 998 O VAL A 70 -9.829 -12.190 3.214 1.00 0.00 O ATOM 999 CB VAL A 70 -9.506 -8.867 3.836 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -9.910 -7.703 2.937 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.230 -8.345 5.203 1.00 0.00 C ATOM 0 H VAL A 70 -11.435 -8.569 4.930 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.910 -10.113 2.698 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.577 -9.345 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.160 -6.915 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.984 -8.048 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.875 -7.313 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.460 -7.576 5.150 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.142 -7.918 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.886 -9.159 5.841 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.994 -11.685 5.391 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.727 -13.033 5.885 1.00 0.00 C ATOM 1013 C VAL A 71 -10.868 -13.956 5.486 1.00 0.00 C ATOM 1014 O VAL A 71 -10.631 -15.004 4.888 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.511 -12.972 7.418 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.682 -14.306 8.163 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.091 -12.482 7.651 1.00 0.00 C ATOM 0 H VAL A 71 -10.107 -10.996 6.135 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.819 -13.440 5.440 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.282 -12.312 7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.509 -14.153 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.694 -14.681 8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.964 -15.031 7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.897 -12.424 8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.387 -13.176 7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.969 -11.494 7.207 1.00 0.00 H new ATOM 1027 N ASP A 72 -12.086 -13.572 5.846 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.288 -14.389 5.619 1.00 0.00 C ATOM 1029 C ASP A 72 -13.492 -14.669 4.121 1.00 0.00 C ATOM 1030 O ASP A 72 -13.753 -15.799 3.724 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.501 -13.689 6.248 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.717 -14.602 6.401 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -15.793 -15.318 7.429 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -16.639 -14.506 5.554 1.00 0.00 O ATOM 0 H ASP A 72 -12.277 -12.682 6.306 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.164 -15.360 6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.220 -13.303 7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.775 -12.831 5.634 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.261 -13.671 3.269 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.326 -13.758 1.809 1.00 0.00 C ATOM 1041 C ILE A 73 -12.291 -14.750 1.272 1.00 0.00 C ATOM 1042 O ILE A 73 -12.609 -15.568 0.406 1.00 0.00 O ATOM 1043 CB ILE A 73 -13.136 -12.337 1.231 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -14.391 -11.502 1.554 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.878 -12.313 -0.290 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -14.115 -10.001 1.540 1.00 0.00 C ATOM 0 H ILE A 73 -13.012 -12.736 3.592 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.298 -14.139 1.495 1.00 0.00 H new ATOM 0 HB ILE A 73 -12.244 -11.918 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -15.172 -11.731 0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.772 -11.789 2.534 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.755 -11.282 -0.622 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.973 -12.877 -0.514 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.724 -12.763 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -15.032 -9.460 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -13.354 -9.764 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.761 -9.705 0.552 1.00 0.00 H new ATOM 1058 N LEU A 74 -11.046 -14.684 1.761 1.00 0.00 N ATOM 1059 CA LEU A 74 -10.019 -15.659 1.395 1.00 0.00 C ATOM 1060 C LEU A 74 -10.399 -17.059 1.875 1.00 0.00 C ATOM 1061 O LEU A 74 -10.059 -18.056 1.235 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.652 -15.282 1.985 1.00 0.00 C ATOM 1063 CG LEU A 74 -7.940 -14.118 1.281 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.723 -13.734 2.130 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.469 -14.456 -0.141 1.00 0.00 C ATOM 0 H LEU A 74 -10.729 -13.965 2.411 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.949 -15.654 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.785 -15.024 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -8.004 -16.158 1.951 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.655 -13.301 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.194 -12.907 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.053 -13.431 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.054 -14.591 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.975 -13.588 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.769 -15.291 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.328 -14.730 -0.753 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.074 -17.168 3.018 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.526 -18.451 3.535 1.00 0.00 C ATOM 1079 C LYS A 75 -12.619 -19.025 2.642 1.00 0.00 C ATOM 1080 O LYS A 75 -12.609 -20.237 2.430 1.00 0.00 O ATOM 1081 CB LYS A 75 -11.987 -18.300 4.985 1.00 0.00 C ATOM 1082 CG LYS A 75 -10.786 -18.090 5.918 1.00 0.00 C ATOM 1083 CD LYS A 75 -11.199 -17.511 7.268 1.00 0.00 C ATOM 1084 CE LYS A 75 -12.214 -18.431 7.935 1.00 0.00 C ATOM 1085 NZ LYS A 75 -12.544 -17.987 9.293 1.00 0.00 N ATOM 0 H LYS A 75 -11.320 -16.372 3.606 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.696 -19.158 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.670 -17.455 5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.540 -19.188 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.278 -19.042 6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.070 -17.420 5.441 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.324 -17.395 7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.628 -16.518 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.122 -18.466 7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.816 -19.445 7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.237 -18.639 9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.682 -17.978 9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.947 -17.029 9.257 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.480 -18.191 2.061 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.482 -18.614 1.084 1.00 0.00 C ATOM 1101 C ASP A 76 -13.884 -18.935 -0.290 1.00 0.00 C ATOM 1102 O ASP A 76 -14.579 -19.503 -1.133 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.562 -17.533 0.937 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.785 -18.004 0.136 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.164 -19.193 0.210 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -17.478 -17.152 -0.472 1.00 0.00 O ATOM 0 H ASP A 76 -13.502 -17.190 2.258 1.00 0.00 H new ATOM 0 HA ASP A 76 -14.920 -19.537 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -15.886 -17.215 1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.129 -16.661 0.448 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.620 -18.584 -0.575 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.013 -18.974 -1.846 1.00 0.00 C ATOM 1113 C CYS A 77 -12.015 -20.506 -1.962 1.00 0.00 C ATOM 1114 O CYS A 77 -11.731 -21.205 -0.984 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.584 -18.462 -2.000 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.492 -16.664 -2.133 1.00 0.00 S ATOM 0 H CYS A 77 -12.015 -18.044 0.044 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.608 -18.522 -2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.992 -18.789 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.137 -18.910 -2.887 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.300 -16.123 -1.270 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.264 -21.044 -3.159 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.204 -22.466 -3.425 1.00 0.00 C ATOM 1124 C PRO A 78 -10.773 -22.978 -3.287 1.00 0.00 C ATOM 1125 O PRO A 78 -9.836 -22.465 -3.901 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.785 -22.649 -4.825 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.902 -21.252 -5.446 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.641 -20.273 -4.322 1.00 0.00 C ATOM 0 HA PRO A 78 -12.779 -23.053 -2.709 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.141 -23.287 -5.430 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.760 -23.133 -4.778 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.180 -21.122 -6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.892 -21.098 -5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.848 -19.577 -4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.531 -19.678 -4.117 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.607 -24.002 -2.453 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.363 -24.744 -2.320 1.00 0.00 C ATOM 1138 C ILE A 79 -9.006 -25.338 -3.680 1.00 0.00 C ATOM 1139 O ILE A 79 -9.875 -25.883 -4.370 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.502 -25.776 -1.186 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.455 -24.993 0.144 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.392 -26.842 -1.219 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.528 -25.845 1.403 1.00 0.00 C ATOM 0 H ILE A 79 -11.349 -24.343 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.531 -24.102 -2.032 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.441 -26.317 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.534 -24.411 0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.281 -24.282 0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.538 -27.544 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.431 -27.379 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.420 -26.359 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.488 -25.201 2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.462 -26.407 1.408 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.687 -26.538 1.423 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.732 -25.219 -4.046 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.158 -25.790 -5.255 1.00 0.00 C ATOM 1157 C GLY A 80 -7.512 -25.012 -6.514 1.00 0.00 C ATOM 1158 O GLY A 80 -7.206 -25.480 -7.610 1.00 0.00 O ATOM 0 H GLY A 80 -7.051 -24.704 -3.488 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.074 -25.827 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.503 -26.818 -5.362 1.00 0.00 H new ATOM 1162 N SER A 81 -8.161 -23.856 -6.368 1.00 0.00 N ATOM 1163 CA SER A 81 -8.523 -22.979 -7.456 1.00 0.00 C ATOM 1164 C SER A 81 -7.547 -21.812 -7.440 1.00 0.00 C ATOM 1165 O SER A 81 -7.090 -21.385 -6.368 1.00 0.00 O ATOM 1166 CB SER A 81 -9.960 -22.508 -7.231 1.00 0.00 C ATOM 1167 OG SER A 81 -10.551 -22.001 -8.406 1.00 0.00 O ATOM 0 H SER A 81 -8.453 -23.503 -5.457 1.00 0.00 H new ATOM 0 HA SER A 81 -8.472 -23.476 -8.425 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.557 -23.340 -6.857 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.970 -21.737 -6.461 1.00 0.00 H new ATOM 0 HG SER A 81 -11.468 -21.714 -8.213 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.248 -21.282 -8.621 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.587 -20.000 -8.740 1.00 0.00 C ATOM 1175 C GLU A 82 -7.553 -18.912 -8.237 1.00 0.00 C ATOM 1176 O GLU A 82 -8.761 -18.963 -8.475 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.149 -19.735 -10.193 1.00 0.00 C ATOM 1178 CG GLU A 82 -4.815 -20.391 -10.608 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.879 -21.907 -10.854 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.785 -22.350 -11.597 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.998 -22.656 -10.364 1.00 0.00 O ATOM 0 H GLU A 82 -7.458 -21.730 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.681 -19.992 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.933 -20.089 -10.862 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.067 -18.658 -10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.458 -19.907 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.076 -20.196 -9.831 1.00 0.00 H new ATOM 1188 N THR A 83 -7.007 -17.914 -7.556 1.00 0.00 N ATOM 1189 CA THR A 83 -7.659 -16.778 -6.926 1.00 0.00 C ATOM 1190 C THR A 83 -6.933 -15.539 -7.459 1.00 0.00 C ATOM 1191 O THR A 83 -5.695 -15.513 -7.477 1.00 0.00 O ATOM 1192 CB THR A 83 -7.500 -16.957 -5.406 1.00 0.00 C ATOM 1193 OG1 THR A 83 -8.267 -18.054 -4.944 1.00 0.00 O ATOM 1194 CG2 THR A 83 -7.872 -15.731 -4.572 1.00 0.00 C ATOM 0 H THR A 83 -5.997 -17.878 -7.419 1.00 0.00 H new ATOM 0 HA THR A 83 -8.724 -16.686 -7.140 1.00 0.00 H new ATOM 0 HB THR A 83 -6.433 -17.130 -5.267 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.150 -18.150 -3.976 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.728 -15.953 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.238 -14.891 -4.856 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.916 -15.473 -4.749 1.00 0.00 H new ATOM 1202 N SER A 84 -7.683 -14.530 -7.898 1.00 0.00 N ATOM 1203 CA SER A 84 -7.166 -13.344 -8.543 1.00 0.00 C ATOM 1204 C SER A 84 -6.860 -12.387 -7.414 1.00 0.00 C ATOM 1205 O SER A 84 -7.730 -12.186 -6.558 1.00 0.00 O ATOM 1206 CB SER A 84 -8.229 -12.717 -9.463 1.00 0.00 C ATOM 1207 OG SER A 84 -8.941 -13.698 -10.191 1.00 0.00 O ATOM 0 H SER A 84 -8.699 -14.524 -7.807 1.00 0.00 H new ATOM 0 HA SER A 84 -6.294 -13.571 -9.157 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.927 -12.131 -8.865 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.748 -12.028 -10.157 1.00 0.00 H new ATOM 0 HG SER A 84 -9.607 -13.262 -10.762 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.669 -11.798 -7.377 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.340 -10.810 -6.369 1.00 0.00 C ATOM 1215 C LEU A 85 -4.744 -9.590 -7.065 1.00 0.00 C ATOM 1216 O LEU A 85 -4.045 -9.711 -8.069 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.333 -11.376 -5.349 1.00 0.00 C ATOM 1218 CG LEU A 85 -4.922 -11.660 -3.954 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.863 -12.863 -3.909 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -3.755 -11.886 -2.989 1.00 0.00 C ATOM 0 H LEU A 85 -4.917 -11.992 -8.038 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.244 -10.534 -5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.914 -12.300 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.508 -10.671 -5.244 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.528 -10.799 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.235 -12.996 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.702 -12.694 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -5.324 -13.758 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.143 -12.090 -1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.162 -12.735 -3.328 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.129 -10.994 -2.960 1.00 0.00 H new ATOM 1232 N ILE A 86 -4.941 -8.404 -6.497 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.301 -7.179 -6.972 1.00 0.00 C ATOM 1234 C ILE A 86 -3.659 -6.537 -5.754 1.00 0.00 C ATOM 1235 O ILE A 86 -4.340 -6.315 -4.744 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.295 -6.262 -7.701 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.027 -7.074 -8.796 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.611 -5.040 -8.308 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.773 -6.271 -9.860 1.00 0.00 C ATOM 0 H ILE A 86 -5.551 -8.264 -5.692 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.539 -7.388 -7.723 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.015 -5.891 -6.971 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.295 -7.706 -9.298 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.740 -7.738 -8.308 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.353 -4.421 -8.813 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.132 -4.461 -7.518 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.859 -5.364 -9.027 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.243 -6.954 -10.568 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.539 -5.659 -9.383 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.070 -5.627 -10.389 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.355 -6.294 -5.817 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.563 -5.706 -4.749 1.00 0.00 C ATOM 1253 C ILE A 87 -1.128 -4.308 -5.211 1.00 0.00 C ATOM 1254 O ILE A 87 -1.033 -4.044 -6.416 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.419 -6.673 -4.310 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.672 -6.893 -5.383 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.008 -8.041 -3.907 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.733 -5.796 -5.386 1.00 0.00 C ATOM 0 H ILE A 87 -1.802 -6.510 -6.646 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.136 -5.568 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 87 0.066 -6.187 -3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.153 -7.856 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.203 -6.941 -6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.202 -8.709 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.702 -7.908 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.536 -8.474 -4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.471 -6.006 -6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.261 -4.834 -5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.226 -5.764 -4.414 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.895 -3.387 -4.275 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.481 -2.032 -4.620 1.00 0.00 C ATOM 1272 C HIS A 88 1.042 -2.005 -4.724 1.00 0.00 C ATOM 1273 O HIS A 88 1.725 -2.067 -3.699 1.00 0.00 O ATOM 1274 CB HIS A 88 -1.023 -0.989 -3.623 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.236 0.385 -4.225 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -2.236 1.277 -3.902 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -0.496 0.963 -5.221 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -2.063 2.381 -4.649 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -1.006 2.241 -5.467 1.00 0.00 N ATOM 0 H HIS A 88 -0.987 -3.557 -3.273 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.909 -1.755 -5.583 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.969 -1.347 -3.216 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.328 -0.905 -2.787 1.00 0.00 H new ATOM 0 HD2 HIS A 88 0.341 0.508 -5.731 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.688 3.260 -4.599 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.649 2.927 -6.132 1.00 0.00 H new ATOM 1287 N ARG A 89 1.591 -1.933 -5.939 1.00 0.00 N ATOM 1288 CA ARG A 89 3.018 -1.743 -6.161 1.00 0.00 C ATOM 1289 C ARG A 89 3.196 -0.968 -7.458 1.00 0.00 C ATOM 1290 O ARG A 89 2.758 -1.432 -8.509 1.00 0.00 O ATOM 1291 CB ARG A 89 3.721 -3.105 -6.247 1.00 0.00 C ATOM 1292 CG ARG A 89 5.244 -2.980 -6.336 1.00 0.00 C ATOM 1293 CD ARG A 89 5.891 -2.720 -4.974 1.00 0.00 C ATOM 1294 NE ARG A 89 6.912 -3.730 -4.668 1.00 0.00 N ATOM 1295 CZ ARG A 89 6.761 -4.789 -3.862 1.00 0.00 C ATOM 1296 NH1 ARG A 89 5.627 -5.001 -3.206 1.00 0.00 N ATOM 1297 NH2 ARG A 89 7.769 -5.631 -3.702 1.00 0.00 N ATOM 0 H ARG A 89 1.049 -2.006 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 89 3.461 -1.187 -5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.460 -3.700 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.353 -3.644 -7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.656 -3.895 -6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.500 -2.168 -7.017 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.344 -1.728 -4.967 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.126 -2.727 -4.198 1.00 0.00 H new ATOM 0 HE ARG A 89 7.823 -3.614 -5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.848 -4.351 -3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.534 -5.814 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 89 8.650 -5.470 -4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.665 -6.441 -3.091 1.00 0.00 H new